REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2uv9_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRPEVEQELA YTLLVELLAY QFAMPVRWIE TQDVILAEKR TERIVEIGPS DATA SEQUENCE DTLGGMARRT LQSKYEAYDA ATSVQRQILC YCKDAKEIYY DVEPXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXIDALTK DQRALFKQQL EIIARYLKMD DATA SEQUENCE LRAGDKAFVA SQESQKALQA QLDLWQAEHG DIYAAGIEPA FDPLKARVYD DATA SEQUENCE SSWNWARQDA LSMYYDIIFG RLRVVDREIV SQCIQIMNRS NPLLLEFMQY DATA SEQUENCE HIDHCPTERG ETYQLAKELG QQLIENCKEV LGKPPVYKDV SIPTGPQTTI DATA SEQUENCE DARGNIQYQE VPRASARKFE HYVKQMAEGG PISQYSNRTK VQNDLRSVYK DATA SEQUENCE LIRRQHRLSK SSQLQFNALY KDVIRALAMN ESQIMQXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXKVE TIPFLHLRKK DEFGNWEYSK KLTGIYLDGL EAAARSGLTF DATA SEQUENCE QGKHALMTGA GAGSIGAEVL QGLLSGGAKV IVTTSRFSRQ VTEYYQGIYA DATA SEQUENCE RCGARGSQLV VVPFNQGSKQ DVEALVNYIY DTKNGLGWDL DYVVPFAAIP DATA SEQUENCE ENGREIDSID SKSELAHRIM LTNLLRLLGA IKTQKKERGY ETRPAQVILP DATA SEQUENCE LSPNHGTFGN DGLYSESKLA LETLFNRWYS ESWGNYLTIC GAVIGWTRGT DATA SEQUENCE GLMSANNLVA EGVEKLGVRT FSQQEMAFNL LGLMAPAIVN LCQSDPVFAD DATA SEQUENCE LNGGLQFIPD LKGLMTKLRK EIMETSAIRQ AVIKETAIEN KVVNGEDHEA DATA SEQUENCE LYRRVITEPR ANLKYPFPEL PDWDKDIKPL NDQLRGMVNL DKVVVVTGLA DATA SEQUENCE EIGPWGNART RWEMEAYGKF SLEGCVEMAW MMGLIKNHNG PLKGKPYSGW DATA SEQUENCE VDAKTGEPVD DKDVKAKYEK YILEHSGIRL IEPELFGGYD PNRKQLLQEV DATA SEQUENCE VIEQDLEPFE ASKEQAEEFK REHGDKVEIF EIPETGQYTV RLRKGATLLI DATA SEQUENCE PKALQFDRLV AGQIPTGWDA RRYGVPEDII QQVDPVTLYV LVSVAEALLS DATA SEQUENCE SGITDPYEFY KYVHLSEVGN CIGSGVGGTS ALRGMYKDRY LDKPVQKDIL DATA SEQUENCE QESFVNTMAA WVNMLLLSST GPIKTPVGAC ATAVESLDVG YDTIMQGKAR DATA SEQUENCE VCLVGGFDDF QEEGSYEFAN MGATSNAKEE FARGREPGEM SRPTSTTRNG DATA SEQUENCE FMESQGCGVQ VIMTAQLALE MGVPIYGIVA MTSTATDKIG RSVPAPGQGV DATA SEQUENCE LTTAREKSGN FPSPLLDIKY RRRQLELRRQ QIKQWKESEY LYLQEEVAAI DATA SEQUENCE KSQRSEEDGP FDETAYLRER TEHIEREARR QEAEAQTSFG NEFWRRDSRI DATA SEQUENCE APLRGALATW GLTIDDLGVA SFHGTSTVAN DKNESDVICQ QLKHLGRTKG DATA SEQUENCE NAVLGIFQKY LTGHPKGAAG AWMLNGCLQV LNTGIVPGNR NADNVDKVME DATA SEQUENCE QFDYIVYPSR SIKTDGIKAF SVTSFGFGQK GAQAIGVHPK YLFATLDKAQ DATA SEQUENCE YEAYCVKVQA RQKKAYRFFH NGLINNKLFV AKDKAPYEDR IQSKVFLNPQ DATA SEQUENCE SRVTQESNGE LKFPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 R N 0.872 121.376 120.500 0.007 0.000 2.298 2 R HA 0.235 4.574 4.340 -0.001 0.000 0.310 2 R C -1.692 174.613 176.300 0.007 0.000 1.068 2 R CA -1.337 54.766 56.100 0.006 0.000 0.957 2 R CB 0.459 30.762 30.300 0.005 0.000 1.003 2 R HN -0.091 nan 8.270 nan 0.000 0.454 3 P HA -0.191 nan 4.420 nan 0.000 0.215 3 P C 0.645 177.949 177.300 0.006 0.000 1.157 3 P CA 1.129 64.233 63.100 0.008 0.000 0.868 3 P CB 0.282 31.986 31.700 0.006 0.000 0.788 4 E N -0.457 119.744 120.200 0.002 0.000 2.130 4 E HA -0.122 4.228 4.350 -0.001 0.000 0.196 4 E C 2.091 178.689 176.600 -0.003 0.000 0.998 4 E CA 1.028 57.426 56.400 -0.004 0.000 0.806 4 E CB -1.157 28.539 29.700 -0.008 0.000 0.738 4 E HN 0.143 nan 8.360 nan 0.000 0.459 5 V N 1.432 121.347 119.914 0.003 0.000 2.302 5 V HA -0.188 3.932 4.120 -0.001 0.000 0.243 5 V C 2.219 178.324 176.094 0.018 0.000 1.036 5 V CA 1.557 63.862 62.300 0.008 0.000 1.020 5 V CB -0.452 31.376 31.823 0.008 0.000 0.657 5 V HN 0.207 nan 8.190 nan 0.000 0.453 6 E N -0.361 119.851 120.200 0.019 0.000 2.171 6 E HA -0.303 4.047 4.350 -0.001 0.000 0.197 6 E C 2.288 178.912 176.600 0.040 0.000 0.997 6 E CA 1.468 57.885 56.400 0.027 0.000 0.810 6 E CB -0.103 29.611 29.700 0.023 0.000 0.738 6 E HN 0.624 nan 8.360 nan 0.000 0.467 7 Q N 0.501 120.322 119.800 0.035 0.000 1.942 7 Q HA -0.191 4.149 4.340 -0.001 0.000 0.203 7 Q C 2.103 178.148 176.000 0.075 0.000 0.987 7 Q CA 1.383 57.215 55.803 0.049 0.000 0.844 7 Q CB -0.101 28.649 28.738 0.019 0.000 0.911 7 Q HN 0.350 nan 8.270 nan 0.000 0.423 8 E N 0.314 120.529 120.200 0.025 0.000 2.219 8 E HA -0.212 4.137 4.350 -0.001 0.000 0.198 8 E C 1.955 178.623 176.600 0.113 0.000 0.998 8 E CA 0.622 57.033 56.400 0.018 0.000 0.818 8 E CB -0.030 29.650 29.700 -0.034 0.000 0.741 8 E HN 0.153 nan 8.360 nan 0.000 0.477 9 L N 0.933 122.209 121.223 0.089 0.000 1.971 9 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 9 L C 2.473 179.407 176.870 0.107 0.000 1.083 9 L CA 1.924 56.816 54.840 0.087 0.000 0.753 9 L CB -1.087 41.004 42.059 0.054 0.000 0.893 9 L HN 0.035 nan 8.230 nan 0.000 0.436 10 A N -1.619 121.256 122.820 0.091 0.000 1.997 10 A HA -0.336 3.983 4.320 -0.001 0.000 0.221 10 A C 2.289 179.932 177.584 0.099 0.000 1.172 10 A CA 2.147 54.230 52.037 0.077 0.000 0.645 10 A CB -1.199 17.840 19.000 0.065 0.000 0.813 10 A HN 0.568 nan 8.150 nan 0.000 0.454 11 Y N 1.392 121.704 120.300 0.019 0.000 2.036 11 Y HA -0.267 4.282 4.550 -0.001 0.000 0.273 11 Y C 2.742 178.659 175.900 0.028 0.000 1.135 11 Y CA 2.861 60.974 58.100 0.022 0.000 1.106 11 Y CB -0.715 37.757 38.460 0.020 0.000 0.976 11 Y HN 0.336 nan 8.280 nan 0.000 0.483 12 T N 1.284 115.984 114.554 0.244 0.000 2.867 12 T HA -0.160 4.190 4.350 -0.001 0.000 0.268 12 T C 1.750 176.468 174.700 0.030 0.000 1.057 12 T CA 1.117 63.290 62.100 0.121 0.000 1.136 12 T CB -0.608 68.388 68.868 0.213 0.000 0.874 12 T HN 0.296 nan 8.240 nan 0.000 0.466 13 L N 1.325 122.572 121.223 0.040 0.000 2.012 13 L HA 0.009 4.349 4.340 -0.001 0.000 0.210 13 L C 2.173 179.041 176.870 -0.003 0.000 1.073 13 L CA 1.513 56.366 54.840 0.022 0.000 0.748 13 L CB -1.094 40.981 42.059 0.026 0.000 0.891 13 L HN 0.171 nan 8.230 nan 0.000 0.431 14 L N -0.882 120.319 121.223 -0.037 0.000 1.989 14 L HA -0.185 4.155 4.340 -0.001 0.000 0.211 14 L C 2.596 179.412 176.870 -0.091 0.000 1.071 14 L CA 2.033 56.834 54.840 -0.065 0.000 0.749 14 L CB -0.903 41.100 42.059 -0.094 0.000 0.890 14 L HN 0.203 nan 8.230 nan 0.000 0.431 15 V N 0.300 120.103 119.914 -0.185 0.000 2.324 15 V HA -0.263 3.857 4.120 -0.001 0.000 0.250 15 V C 2.658 178.738 176.094 -0.024 0.000 1.060 15 V CA 1.736 63.930 62.300 -0.176 0.000 1.042 15 V CB -0.550 31.099 31.823 -0.291 0.000 0.650 15 V HN 0.454 nan 8.190 nan 0.000 0.450 16 E N -0.150 120.073 120.200 0.038 0.000 2.046 16 E HA -0.107 4.242 4.350 -0.001 0.000 0.190 16 E C 2.272 178.994 176.600 0.205 0.000 0.982 16 E CA 0.842 57.346 56.400 0.173 0.000 0.800 16 E CB -0.405 29.390 29.700 0.158 0.000 0.756 16 E HN 0.489 nan 8.360 nan 0.000 0.449 17 L N 0.803 122.083 121.223 0.096 0.000 2.021 17 L HA -0.244 4.095 4.340 -0.001 0.000 0.215 17 L C 2.595 179.514 176.870 0.082 0.000 1.074 17 L CA 1.201 56.088 54.840 0.078 0.000 0.760 17 L CB -0.425 41.652 42.059 0.029 0.000 0.889 17 L HN 0.127 nan 8.230 nan 0.000 0.433 18 L N -1.179 120.067 121.223 0.038 0.000 1.994 18 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 18 L C 2.884 179.772 176.870 0.030 0.000 1.071 18 L CA 1.246 56.086 54.840 0.001 0.000 0.745 18 L CB -1.009 41.031 42.059 -0.033 0.000 0.892 18 L HN 0.282 nan 8.230 nan 0.000 0.431 19 A N -0.206 122.657 122.820 0.072 0.000 1.884 19 A HA -0.280 4.040 4.320 -0.001 0.000 0.219 19 A C 1.966 179.621 177.584 0.118 0.000 1.197 19 A CA 2.001 54.085 52.037 0.077 0.000 0.637 19 A CB -1.098 17.890 19.000 -0.020 0.000 0.827 19 A HN 0.468 nan 8.150 nan 0.000 0.450 20 Y N -0.460 119.913 120.300 0.123 0.000 2.529 20 Y HA -0.001 4.548 4.550 -0.001 0.000 0.290 20 Y C 2.404 178.375 175.900 0.119 0.000 1.177 20 Y CA 0.814 58.993 58.100 0.131 0.000 1.305 20 Y CB -0.093 38.410 38.460 0.072 0.000 1.047 20 Y HN 0.479 nan 8.280 nan 0.000 0.522 21 Q N -0.060 119.841 119.800 0.168 0.000 2.181 21 Q HA -0.221 4.118 4.340 -0.001 0.000 0.205 21 Q C 1.478 177.501 176.000 0.039 0.000 0.980 21 Q CA 1.605 57.439 55.803 0.052 0.000 0.862 21 Q CB -0.284 28.416 28.738 -0.063 0.000 0.905 21 Q HN 0.473 nan 8.270 nan 0.000 0.429 22 F N 0.462 120.425 119.950 0.021 0.000 2.045 22 F HA -0.284 4.242 4.527 -0.001 0.000 0.297 22 F C 2.176 177.990 175.800 0.024 0.000 1.114 22 F CA 1.802 59.805 58.000 0.005 0.000 1.207 22 F CB -0.469 38.516 39.000 -0.024 0.000 0.964 22 F HN 0.177 nan 8.300 nan 0.000 0.486 23 A N -1.185 121.804 122.820 0.281 0.000 2.423 23 A HA 0.293 4.613 4.320 -0.001 0.000 0.246 23 A C 0.428 178.101 177.584 0.149 0.000 1.278 23 A CA -0.023 52.126 52.037 0.186 0.000 0.903 23 A CB -0.273 18.828 19.000 0.168 0.000 0.997 23 A HN 0.066 nan 8.150 nan 0.000 0.510 24 M N 0.716 120.397 119.600 0.136 0.000 2.383 24 M HA 0.407 4.886 4.480 -0.001 0.000 0.325 24 M C -2.789 173.555 176.300 0.073 0.000 1.092 24 M CA -2.590 52.769 55.300 0.098 0.000 0.961 24 M CB 0.765 33.422 32.600 0.096 0.000 1.672 24 M HN -0.118 nan 8.290 nan 0.000 0.438 25 P HA 0.121 nan 4.420 nan 0.000 0.268 25 P C -0.656 176.679 177.300 0.058 0.000 1.208 25 P CA -0.382 62.750 63.100 0.053 0.000 0.777 25 P CB 0.381 32.110 31.700 0.047 0.000 0.875 26 V N 3.550 123.501 119.914 0.062 0.000 2.339 26 V HA 0.161 4.281 4.120 -0.001 0.000 0.261 26 V C 1.209 177.377 176.094 0.124 0.000 1.058 26 V CA -0.452 61.901 62.300 0.088 0.000 0.897 26 V CB -0.213 31.652 31.823 0.071 0.000 1.052 26 V HN 0.493 nan 8.190 nan 0.000 0.480 27 R N 4.540 125.109 120.500 0.115 0.000 4.164 27 R HA 0.038 4.377 4.340 -0.001 0.000 0.195 27 R C 0.959 177.341 176.300 0.135 0.000 1.712 27 R CA -0.407 55.753 56.100 0.100 0.000 1.457 27 R CB -0.025 30.304 30.300 0.049 0.000 1.387 27 R HN 0.899 nan 8.270 nan 0.000 0.785 28 W N 2.854 124.148 121.300 -0.009 0.000 2.519 28 W HA -0.117 4.542 4.660 -0.001 0.000 0.266 28 W C 0.825 177.335 176.519 -0.015 0.000 1.253 28 W CA 0.268 57.605 57.345 -0.014 0.000 1.274 28 W CB 0.227 29.677 29.460 -0.017 0.000 1.114 28 W HN 0.351 nan 8.180 nan 0.000 0.596 29 I N 1.591 122.161 120.570 0.000 0.000 2.090 29 I HA -0.312 3.857 4.170 -0.001 0.000 0.236 29 I C 2.123 178.140 176.117 -0.167 0.000 1.064 29 I CA 1.977 63.229 61.300 -0.079 0.000 1.324 29 I CB -1.307 36.694 38.000 0.001 0.000 1.044 29 I HN 0.046 nan 8.210 nan 0.000 0.399 30 E N -0.061 120.075 120.200 -0.107 0.000 2.204 30 E HA -0.164 4.185 4.350 -0.001 0.000 0.195 30 E C 1.933 178.429 176.600 -0.175 0.000 0.990 30 E CA 1.615 57.952 56.400 -0.105 0.000 0.821 30 E CB -0.322 29.345 29.700 -0.056 0.000 0.750 30 E HN 0.490 nan 8.360 nan 0.000 0.477 31 T N 1.321 115.718 114.554 -0.261 0.000 2.737 31 T HA -0.165 4.184 4.350 -0.001 0.000 0.265 31 T C 1.871 176.253 174.700 -0.530 0.000 1.038 31 T CA 1.034 62.911 62.100 -0.370 0.000 1.144 31 T CB -0.163 68.451 68.868 -0.423 0.000 0.866 31 T HN 0.170 nan 8.240 nan 0.000 0.434 32 Q N 0.536 119.894 119.800 -0.737 0.000 2.181 32 Q HA -0.157 4.182 4.340 -0.001 0.000 0.205 32 Q C 1.771 177.552 176.000 -0.365 0.000 0.980 32 Q CA 1.468 56.885 55.803 -0.644 0.000 0.862 32 Q CB -0.177 28.187 28.738 -0.624 0.000 0.905 32 Q HN 0.526 nan 8.270 nan 0.000 0.429 33 D N -0.686 119.565 120.400 -0.249 0.000 2.234 33 D HA -0.079 4.561 4.640 -0.001 0.000 0.205 33 D C 1.744 177.992 176.300 -0.087 0.000 0.962 33 D CA 0.462 54.404 54.000 -0.096 0.000 0.855 33 D CB 0.194 40.982 40.800 -0.021 0.000 0.951 33 D HN -0.011 nan 8.370 nan 0.000 0.500 34 V N 0.804 120.642 119.914 -0.127 0.000 2.515 34 V HA -0.160 3.960 4.120 -0.001 0.000 0.250 34 V C 2.178 178.216 176.094 -0.093 0.000 1.058 34 V CA 1.063 63.306 62.300 -0.095 0.000 1.064 34 V CB -0.263 31.502 31.823 -0.096 0.000 0.675 34 V HN 0.276 nan 8.190 nan 0.000 0.461 35 I N -0.848 119.638 120.570 -0.139 0.000 2.333 35 I HA -0.144 4.025 4.170 -0.001 0.000 0.246 35 I C 2.164 178.221 176.117 -0.100 0.000 1.106 35 I CA 1.411 62.639 61.300 -0.120 0.000 1.411 35 I CB -0.131 37.774 38.000 -0.158 0.000 1.082 35 I HN 0.255 nan 8.210 nan 0.000 0.420 36 L N 0.128 121.267 121.223 -0.139 0.000 2.162 36 L HA 0.012 4.351 4.340 -0.001 0.000 0.205 36 L C 2.578 179.459 176.870 0.018 0.000 1.086 36 L CA 0.996 55.758 54.840 -0.129 0.000 0.778 36 L CB -0.388 41.390 42.059 -0.468 0.000 0.928 36 L HN 0.179 nan 8.230 nan 0.000 0.446 37 A N -0.642 122.191 122.820 0.021 0.000 1.909 37 A HA -0.075 4.245 4.320 -0.001 0.000 0.209 37 A C 2.144 179.701 177.584 -0.045 0.000 1.247 37 A CA 0.517 52.495 52.037 -0.098 0.000 0.660 37 A CB -0.167 18.740 19.000 -0.155 0.000 0.910 37 A HN 0.271 nan 8.150 nan 0.000 0.465 38 E N 0.226 120.410 120.200 -0.028 0.000 2.028 38 E HA -0.094 4.255 4.350 -0.001 0.000 0.190 38 E C 1.226 177.831 176.600 0.008 0.000 0.984 38 E CA 1.085 57.480 56.400 -0.009 0.000 0.800 38 E CB -0.011 29.677 29.700 -0.021 0.000 0.758 38 E HN 0.482 nan 8.360 nan 0.000 0.448 39 K N 0.165 120.565 120.400 -0.001 0.000 2.372 39 K HA 0.183 4.502 4.320 -0.001 0.000 0.200 39 K C -0.293 176.321 176.600 0.022 0.000 1.022 39 K CA -0.221 56.071 56.287 0.008 0.000 1.125 39 K CB 0.421 32.919 32.500 -0.005 0.000 0.855 39 K HN 0.041 nan 8.250 nan 0.000 0.524 40 R N 2.322 122.842 120.500 0.034 0.000 2.955 40 R HA -0.135 4.204 4.340 -0.001 0.000 0.239 40 R C -0.303 176.026 176.300 0.048 0.000 0.848 40 R CA 0.883 57.022 56.100 0.065 0.000 0.586 40 R CB -2.000 28.372 30.300 0.119 0.000 1.098 40 R HN 0.354 nan 8.270 nan 0.000 0.499 41 T N -2.649 111.916 114.554 0.019 0.000 2.851 41 T HA 0.157 4.506 4.350 -0.001 0.000 0.298 41 T C 1.078 175.791 174.700 0.021 0.000 0.977 41 T CA -0.641 61.468 62.100 0.015 0.000 1.126 41 T CB 1.407 70.273 68.868 -0.003 0.000 0.916 41 T HN 0.387 nan 8.240 nan 0.000 0.529 42 E N 1.666 121.883 120.200 0.029 0.000 2.442 42 E HA 0.077 4.426 4.350 -0.001 0.000 0.195 42 E C 0.945 177.557 176.600 0.021 0.000 1.030 42 E CA 0.089 56.507 56.400 0.031 0.000 0.869 42 E CB 0.363 30.085 29.700 0.037 0.000 0.857 42 E HN 0.521 nan 8.360 nan 0.000 0.505 43 R N 1.621 122.131 120.500 0.016 0.000 2.607 43 R HA 0.282 4.622 4.340 -0.001 0.000 0.278 43 R C -1.083 175.222 176.300 0.008 0.000 1.637 43 R CA -0.238 55.869 56.100 0.010 0.000 1.325 43 R CB 0.502 30.811 30.300 0.016 0.000 1.211 43 R HN 0.013 nan 8.270 nan 0.000 0.565 44 I N 4.142 124.714 120.570 0.002 0.000 2.416 44 I HA 0.186 4.356 4.170 -0.001 0.000 0.288 44 I C 0.000 176.130 176.117 0.021 0.000 1.051 44 I CA -0.509 60.797 61.300 0.010 0.000 1.375 44 I CB 1.435 39.436 38.000 0.002 0.000 1.407 44 I HN 0.127 nan 8.210 nan 0.000 0.516 45 V N 6.354 126.290 119.914 0.036 0.000 2.555 45 V HA 0.331 4.450 4.120 -0.001 0.000 0.302 45 V C -0.040 176.099 176.094 0.075 0.000 1.038 45 V CA -0.672 61.656 62.300 0.047 0.000 0.887 45 V CB 2.043 33.892 31.823 0.044 0.000 0.991 45 V HN 0.726 nan 8.190 nan 0.000 0.434 46 E N 3.837 124.086 120.200 0.082 0.000 2.202 46 E HA 0.652 5.001 4.350 -0.001 0.000 0.272 46 E C -1.495 175.178 176.600 0.122 0.000 0.951 46 E CA -0.671 55.784 56.400 0.090 0.000 0.813 46 E CB 1.800 31.543 29.700 0.070 0.000 1.151 46 E HN 0.599 nan 8.360 nan 0.000 0.398 47 I N 3.501 124.125 120.570 0.090 0.000 2.468 47 I HA 0.557 4.726 4.170 -0.001 0.000 0.284 47 I C 0.095 176.204 176.117 -0.013 0.000 1.038 47 I CA -0.420 60.927 61.300 0.078 0.000 1.083 47 I CB 1.513 39.553 38.000 0.067 0.000 1.223 47 I HN 0.730 nan 8.210 nan 0.000 0.443 48 G N 6.557 115.336 108.800 -0.034 0.000 2.341 48 G HA2 0.318 4.277 3.960 -0.001 0.000 0.299 48 G HA3 0.318 4.277 3.960 -0.001 0.000 0.299 48 G C -2.886 171.981 174.900 -0.055 0.000 1.274 48 G CA -0.289 44.769 45.100 -0.069 0.000 0.853 48 G HN 0.288 nan 8.290 nan 0.000 0.493 49 P HA 0.308 nan 4.420 nan 0.000 0.245 49 P C 0.303 177.596 177.300 -0.012 0.000 1.203 49 P CA 0.442 63.522 63.100 -0.033 0.000 0.792 49 P CB 0.791 32.465 31.700 -0.044 0.000 0.997 50 S N -0.094 115.598 115.700 -0.014 0.000 2.618 50 S HA 0.250 4.720 4.470 -0.001 0.000 0.277 50 S C -0.950 173.646 174.600 -0.006 0.000 1.138 50 S CA -0.650 57.543 58.200 -0.010 0.000 0.844 50 S CB 1.301 64.487 63.200 -0.023 0.000 1.127 50 S HN 0.100 nan 8.310 nan 0.000 0.474 51 D N 0.848 121.246 120.400 -0.003 0.000 3.134 51 D HA 0.054 4.694 4.640 -0.001 0.000 0.248 51 D C 1.280 177.574 176.300 -0.010 0.000 1.273 51 D CA -0.175 53.826 54.000 0.001 0.000 0.904 51 D CB -0.501 40.302 40.800 0.006 0.000 1.089 51 D HN 0.540 nan 8.370 nan 0.000 0.478 52 T N -1.715 112.822 114.554 -0.029 0.000 2.770 52 T HA -0.096 4.253 4.350 -0.001 0.000 0.263 52 T C 2.056 176.726 174.700 -0.049 0.000 1.039 52 T CA 0.339 62.410 62.100 -0.048 0.000 1.142 52 T CB -0.424 68.397 68.868 -0.078 0.000 0.868 52 T HN 0.237 nan 8.240 nan 0.000 0.435 53 L N 1.007 122.195 121.223 -0.058 0.000 2.465 53 L HA 0.202 4.542 4.340 -0.001 0.000 0.224 53 L C 2.855 179.773 176.870 0.079 0.000 1.145 53 L CA 0.697 55.532 54.840 -0.008 0.000 0.834 53 L CB -0.638 41.410 42.059 -0.018 0.000 0.944 53 L HN 0.507 nan 8.230 nan 0.000 0.451 54 G N -0.352 108.472 108.800 0.041 0.000 2.404 54 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.213 54 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.213 54 G C 1.510 176.430 174.900 0.032 0.000 1.189 54 G CA 0.573 45.697 45.100 0.040 0.000 0.796 54 G HN 0.423 nan 8.290 nan 0.000 0.532 55 G N 0.128 108.940 108.800 0.021 0.000 2.679 55 G HA2 0.033 3.992 3.960 -0.001 0.000 0.212 55 G HA3 0.033 3.992 3.960 -0.001 0.000 0.212 55 G C 1.554 176.471 174.900 0.028 0.000 1.137 55 G CA 0.740 45.850 45.100 0.018 0.000 0.787 55 G HN 0.418 nan 8.290 nan 0.000 0.534 56 M N 0.286 119.915 119.600 0.048 0.000 2.325 56 M HA 0.335 4.814 4.480 -0.001 0.000 0.265 56 M C 2.576 178.934 176.300 0.097 0.000 1.094 56 M CA 1.288 56.638 55.300 0.084 0.000 1.161 56 M CB 0.241 32.911 32.600 0.115 0.000 1.358 56 M HN 0.179 nan 8.290 nan 0.000 0.446 57 A N -0.032 122.842 122.820 0.091 0.000 2.067 57 A HA -0.010 4.309 4.320 -0.001 0.000 0.217 57 A C 1.991 179.559 177.584 -0.028 0.000 1.156 57 A CA 0.839 52.891 52.037 0.024 0.000 0.683 57 A CB -0.429 18.590 19.000 0.032 0.000 0.808 57 A HN 0.503 nan 8.150 nan 0.000 0.455 58 R N -0.599 119.901 120.500 -0.000 0.000 2.090 58 R HA 0.032 4.371 4.340 -0.001 0.000 0.228 58 R C 2.286 178.585 176.300 -0.002 0.000 1.110 58 R CA 1.165 57.262 56.100 -0.005 0.000 0.973 58 R CB -0.178 30.125 30.300 0.006 0.000 0.869 58 R HN 0.404 nan 8.270 nan 0.000 0.440 59 R N -0.159 120.347 120.500 0.010 0.000 2.115 59 R HA -0.054 4.285 4.340 -0.001 0.000 0.226 59 R C 1.906 178.216 176.300 0.017 0.000 1.100 59 R CA 1.705 57.817 56.100 0.019 0.000 0.980 59 R CB -0.106 30.211 30.300 0.028 0.000 0.875 59 R HN 0.338 nan 8.270 nan 0.000 0.445 60 T N -1.001 113.546 114.554 -0.012 0.000 3.085 60 T HA 0.060 4.409 4.350 -0.001 0.000 0.263 60 T C 1.763 176.427 174.700 -0.060 0.000 1.127 60 T CA 0.466 62.543 62.100 -0.038 0.000 1.103 60 T CB 0.031 68.831 68.868 -0.114 0.000 0.921 60 T HN 0.127 nan 8.240 nan 0.000 0.510 61 L N -0.118 121.069 121.223 -0.060 0.000 2.446 61 L HA 0.144 4.483 4.340 -0.001 0.000 0.219 61 L C 2.671 179.592 176.870 0.084 0.000 1.116 61 L CA 0.720 55.559 54.840 -0.002 0.000 0.844 61 L CB -0.238 41.804 42.059 -0.029 0.000 0.970 61 L HN 0.321 nan 8.230 nan 0.000 0.457 62 Q N -0.832 119.005 119.800 0.062 0.000 2.226 62 Q HA -0.066 4.274 4.340 -0.001 0.000 0.199 62 Q C 2.425 178.470 176.000 0.074 0.000 0.945 62 Q CA 1.324 57.165 55.803 0.063 0.000 0.861 62 Q CB 0.136 28.899 28.738 0.042 0.000 0.953 62 Q HN 0.440 nan 8.270 nan 0.000 0.490 63 S N 0.549 116.294 115.700 0.076 0.000 2.377 63 S HA -0.013 4.456 4.470 -0.001 0.000 0.223 63 S C 1.815 176.469 174.600 0.090 0.000 1.030 63 S CA 0.761 59.004 58.200 0.071 0.000 0.970 63 S CB 0.077 63.313 63.200 0.059 0.000 0.830 63 S HN 0.116 nan 8.310 nan 0.000 0.473 64 K N -0.768 119.725 120.400 0.155 0.000 2.273 64 K HA 0.243 4.563 4.320 -0.001 0.000 0.206 64 K C 1.029 177.711 176.600 0.137 0.000 1.072 64 K CA 0.399 56.778 56.287 0.152 0.000 0.953 64 K CB -0.064 32.574 32.500 0.228 0.000 1.043 64 K HN 0.316 nan 8.250 nan 0.000 0.477 65 Y N 1.846 122.150 120.300 0.008 0.000 2.477 65 Y HA 0.007 4.556 4.550 -0.001 0.000 0.303 65 Y C 1.806 177.751 175.900 0.075 0.000 1.202 65 Y CA 0.139 58.259 58.100 0.034 0.000 1.282 65 Y CB -0.192 38.264 38.460 -0.007 0.000 1.071 65 Y HN 0.150 nan 8.280 nan 0.000 0.510 66 E N 1.277 121.576 120.200 0.165 0.000 2.033 66 E HA -0.242 4.108 4.350 -0.001 0.000 0.199 66 E C 2.281 178.940 176.600 0.097 0.000 1.011 66 E CA 1.942 58.410 56.400 0.113 0.000 0.815 66 E CB -0.275 29.470 29.700 0.075 0.000 0.755 66 E HN 0.319 nan 8.360 nan 0.000 0.451 67 A N -0.847 122.019 122.820 0.076 0.000 1.898 67 A HA -0.101 4.219 4.320 -0.001 0.000 0.214 67 A C 2.304 179.923 177.584 0.059 0.000 1.183 67 A CA 1.324 53.390 52.037 0.049 0.000 0.622 67 A CB -1.043 17.971 19.000 0.024 0.000 0.824 67 A HN 0.496 nan 8.150 nan 0.000 0.444 68 Y N 1.126 121.400 120.300 -0.044 0.000 2.128 68 Y HA -0.290 4.259 4.550 -0.001 0.000 0.284 68 Y C 1.899 177.802 175.900 0.006 0.000 1.154 68 Y CA 2.273 60.340 58.100 -0.055 0.000 1.149 68 Y CB -0.109 38.254 38.460 -0.162 0.000 0.976 68 Y HN 0.367 nan 8.280 nan 0.000 0.505 69 D N -0.198 120.377 120.400 0.291 0.000 2.117 69 D HA -0.134 4.505 4.640 -0.001 0.000 0.198 69 D C 2.226 178.570 176.300 0.074 0.000 0.982 69 D CA 1.428 55.554 54.000 0.210 0.000 0.828 69 D CB -0.548 40.377 40.800 0.208 0.000 0.967 69 D HN 0.457 nan 8.370 nan 0.000 0.464 70 A N 0.534 123.386 122.820 0.053 0.000 1.969 70 A HA 0.057 4.376 4.320 -0.001 0.000 0.218 70 A C 2.175 179.747 177.584 -0.019 0.000 1.169 70 A CA 1.930 53.978 52.037 0.018 0.000 0.635 70 A CB -0.526 18.487 19.000 0.022 0.000 0.810 70 A HN 0.234 nan 8.150 nan 0.000 0.445 71 A N -1.021 121.765 122.820 -0.057 0.000 1.843 71 A HA 0.018 4.337 4.320 -0.001 0.000 0.213 71 A C 2.204 179.710 177.584 -0.130 0.000 1.202 71 A CA 1.904 53.881 52.037 -0.100 0.000 0.607 71 A CB -1.222 17.695 19.000 -0.140 0.000 0.847 71 A HN 0.375 nan 8.150 nan 0.000 0.445 72 T N -0.135 114.291 114.554 -0.214 0.000 2.977 72 T HA -0.019 4.330 4.350 -0.001 0.000 0.271 72 T C 0.999 175.652 174.700 -0.078 0.000 1.105 72 T CA 1.460 63.436 62.100 -0.207 0.000 1.116 72 T CB -0.293 68.371 68.868 -0.340 0.000 0.878 72 T HN 0.909 nan 8.240 nan 0.000 0.509 73 S N -0.221 115.455 115.700 -0.040 0.000 3.482 73 S HA -0.160 4.309 4.470 -0.001 0.000 0.294 73 S C 0.199 174.812 174.600 0.021 0.000 1.244 73 S CA 0.126 58.322 58.200 -0.006 0.000 0.911 73 S CB -2.128 61.065 63.200 -0.012 0.000 1.070 73 S HN 0.359 nan 8.310 nan 0.000 0.614 74 V N 2.921 122.864 119.914 0.047 0.000 2.446 74 V HA 0.188 4.307 4.120 -0.001 0.000 0.276 74 V C 0.891 177.029 176.094 0.072 0.000 1.030 74 V CA 0.393 62.743 62.300 0.083 0.000 1.033 74 V CB 0.930 32.851 31.823 0.163 0.000 0.993 74 V HN 0.539 nan 8.190 nan 0.000 0.477 75 Q N 5.746 125.579 119.800 0.055 0.000 2.279 75 Q HA 0.535 4.874 4.340 -0.001 0.000 0.256 75 Q C -0.397 175.630 176.000 0.045 0.000 0.937 75 Q CA -0.258 55.572 55.803 0.045 0.000 0.933 75 Q CB 1.444 30.203 28.738 0.036 0.000 1.189 75 Q HN 0.609 nan 8.270 nan 0.000 0.417 76 R N 2.006 122.529 120.500 0.038 0.000 2.561 76 R HA 0.310 4.649 4.340 -0.001 0.000 0.297 76 R C -1.011 175.298 176.300 0.015 0.000 0.969 76 R CA -0.573 55.543 56.100 0.027 0.000 0.879 76 R CB 2.083 32.398 30.300 0.025 0.000 1.178 76 R HN 0.540 nan 8.270 nan 0.000 0.445 77 Q N 4.169 123.974 119.800 0.008 0.000 2.337 77 Q HA 0.349 4.689 4.340 -0.001 0.000 0.264 77 Q C -1.236 174.762 176.000 -0.004 0.000 1.007 77 Q CA -0.420 55.384 55.803 0.001 0.000 0.727 77 Q CB 1.319 30.057 28.738 0.000 0.000 1.256 77 Q HN 0.613 nan 8.270 nan 0.000 0.467 78 I N 5.610 126.177 120.570 -0.005 0.000 2.297 78 I HA 0.284 4.453 4.170 -0.001 0.000 0.291 78 I C -0.635 175.479 176.117 -0.004 0.000 1.033 78 I CA -0.457 60.842 61.300 -0.002 0.000 1.253 78 I CB 0.789 38.789 38.000 0.001 0.000 1.396 78 I HN 0.470 nan 8.210 nan 0.000 0.476 79 L N 6.822 128.043 121.223 -0.003 0.000 2.319 79 L HA 0.413 4.752 4.340 -0.001 0.000 0.281 79 L C -0.131 176.745 176.870 0.009 0.000 1.005 79 L CA -0.538 54.294 54.840 -0.013 0.000 0.828 79 L CB 1.795 43.831 42.059 -0.038 0.000 1.227 79 L HN 0.636 nan 8.230 nan 0.000 0.415 80 C N 2.057 121.363 119.300 0.010 0.000 2.520 80 C HA 0.158 4.617 4.460 -0.001 0.000 0.376 80 C C 1.689 176.708 174.990 0.048 0.000 1.268 80 C CA -0.269 58.774 59.018 0.041 0.000 2.414 80 C CB 0.623 28.382 27.740 0.032 0.000 2.521 80 C HN 0.863 nan 8.230 nan 0.000 0.618 81 Y N 2.082 122.373 120.300 -0.015 0.000 2.133 81 Y HA -0.093 4.456 4.550 -0.001 0.000 0.287 81 Y C 2.406 178.277 175.900 -0.048 0.000 1.134 81 Y CA 2.685 60.773 58.100 -0.021 0.000 1.133 81 Y CB -0.466 37.989 38.460 -0.009 0.000 0.987 81 Y HN 0.862 nan 8.280 nan 0.000 0.502 82 C N 0.900 120.320 119.300 0.199 0.000 2.581 82 C HA -0.172 4.287 4.460 -0.001 0.000 0.287 82 C C 2.523 177.509 174.990 -0.006 0.000 1.241 82 C CA 1.323 60.402 59.018 0.101 0.000 1.747 82 C CB -1.278 26.507 27.740 0.076 0.000 2.090 82 C HN 0.491 nan 8.230 nan 0.000 0.460 83 K N 1.158 121.555 120.400 -0.006 0.000 1.978 83 K HA -0.128 4.191 4.320 -0.001 0.000 0.214 83 K C 0.667 177.233 176.600 -0.057 0.000 1.049 83 K CA 1.517 57.787 56.287 -0.027 0.000 0.939 83 K CB -0.491 32.000 32.500 -0.015 0.000 0.721 83 K HN 0.573 nan 8.250 nan 0.000 0.441 84 D N 0.919 121.280 120.400 -0.066 0.000 3.038 84 D HA 0.123 4.762 4.640 -0.001 0.000 0.243 84 D C 0.822 177.029 176.300 -0.154 0.000 1.245 84 D CA 0.049 53.996 54.000 -0.089 0.000 0.871 84 D CB 0.583 41.343 40.800 -0.067 0.000 1.089 84 D HN 0.206 nan 8.370 nan 0.000 0.464 85 A N 1.286 123.991 122.820 -0.191 0.000 1.865 85 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 85 A C 2.102 179.493 177.584 -0.322 0.000 1.191 85 A CA 1.162 53.002 52.037 -0.329 0.000 0.623 85 A CB -0.075 18.747 19.000 -0.298 0.000 0.826 85 A HN 0.160 nan 8.150 nan 0.000 0.444 86 K N -0.343 119.935 120.400 -0.203 0.000 2.228 86 K HA -0.065 4.254 4.320 -0.001 0.000 0.202 86 K C 1.682 178.222 176.600 -0.099 0.000 1.051 86 K CA 1.191 57.394 56.287 -0.141 0.000 0.960 86 K CB -0.092 32.357 32.500 -0.086 0.000 0.743 86 K HN 0.645 nan 8.250 nan 0.000 0.458 87 E N 0.771 120.895 120.200 -0.125 0.000 2.274 87 E HA -0.084 4.265 4.350 -0.001 0.000 0.194 87 E C 1.788 178.224 176.600 -0.274 0.000 0.996 87 E CA 0.456 56.760 56.400 -0.161 0.000 0.840 87 E CB 0.071 29.695 29.700 -0.126 0.000 0.772 87 E HN 0.193 nan 8.360 nan 0.000 0.491 88 I N 0.282 120.743 120.570 -0.181 0.000 2.233 88 I HA -0.212 3.957 4.170 -0.001 0.000 0.243 88 I C 1.577 177.659 176.117 -0.059 0.000 1.093 88 I CA 1.408 62.630 61.300 -0.129 0.000 1.380 88 I CB -0.757 37.235 38.000 -0.014 0.000 1.067 88 I HN 0.133 nan 8.210 nan 0.000 0.413 89 Y N -0.083 120.087 120.300 -0.217 0.000 2.462 89 Y HA 0.056 4.606 4.550 -0.001 0.000 0.293 89 Y C 0.032 175.960 175.900 0.046 0.000 1.195 89 Y CA -1.156 56.900 58.100 -0.073 0.000 1.276 89 Y CB -1.207 37.218 38.460 -0.059 0.000 1.082 89 Y HN 0.095 nan 8.280 nan 0.000 0.514 90 Y N -0.298 120.062 120.300 0.099 0.000 3.108 90 Y HA -0.289 4.260 4.550 -0.001 0.000 0.208 90 Y C -0.051 175.879 175.900 0.050 0.000 1.245 90 Y CA 0.435 58.565 58.100 0.049 0.000 1.171 90 Y CB -1.489 36.985 38.460 0.023 0.000 1.331 90 Y HN 0.158 nan 8.280 nan 0.000 0.534 91 D N 0.440 120.929 120.400 0.149 0.000 2.441 91 D HA 0.635 5.274 4.640 -0.001 0.000 0.231 91 D C -0.706 175.630 176.300 0.060 0.000 1.073 91 D CA -0.266 53.794 54.000 0.101 0.000 0.850 91 D CB 0.726 41.574 40.800 0.080 0.000 1.062 91 D HN -0.014 nan 8.370 nan 0.000 0.524 92 V N 2.300 122.251 119.914 0.061 0.000 3.040 92 V HA 0.546 4.666 4.120 -0.001 0.000 0.312 92 V C 0.038 176.151 176.094 0.031 0.000 1.115 92 V CA -1.064 61.260 62.300 0.040 0.000 0.998 92 V CB 2.038 33.888 31.823 0.046 0.000 1.042 92 V HN 0.360 nan 8.190 nan 0.000 0.433 93 E N 1.522 121.734 120.200 0.021 0.000 2.248 93 E HA 0.649 4.999 4.350 -0.001 0.000 0.272 93 E C -2.118 174.491 176.600 0.016 0.000 1.008 93 E CA -1.183 55.227 56.400 0.017 0.000 0.856 93 E CB 0.574 30.281 29.700 0.011 0.000 1.120 93 E HN 0.635 nan 8.360 nan 0.000 0.397 326 D N 2.804 123.206 120.400 0.003 0.000 2.352 326 D HA 0.171 4.811 4.640 -0.001 0.000 0.232 326 D C 1.554 177.855 176.300 0.002 0.000 1.055 326 D CA 0.937 54.940 54.000 0.005 0.000 0.891 326 D CB 0.552 41.356 40.800 0.007 0.000 0.897 326 D HN 0.396 nan 8.370 nan 0.000 0.529 327 A N 0.473 123.293 122.820 -0.001 0.000 1.898 327 A HA -0.036 4.284 4.320 -0.001 0.000 0.214 327 A C 2.069 179.649 177.584 -0.007 0.000 1.183 327 A CA 0.411 52.445 52.037 -0.004 0.000 0.622 327 A CB -0.452 18.545 19.000 -0.005 0.000 0.824 327 A HN 0.195 nan 8.150 nan 0.000 0.444 328 L N 0.504 121.723 121.223 -0.005 0.000 2.622 328 L HA -0.037 4.302 4.340 -0.001 0.000 0.233 328 L C 1.724 178.591 176.870 -0.006 0.000 1.156 328 L CA 1.334 56.169 54.840 -0.007 0.000 0.866 328 L CB -0.101 41.956 42.059 -0.004 0.000 0.980 328 L HN 0.683 nan 8.230 nan 0.000 0.448 329 T N -7.867 106.686 114.554 -0.001 0.000 3.046 329 T HA 0.070 4.419 4.350 -0.001 0.000 0.270 329 T C 1.488 176.191 174.700 0.006 0.000 0.920 329 T CA -0.439 61.665 62.100 0.007 0.000 0.874 329 T CB 0.089 68.971 68.868 0.023 0.000 1.214 329 T HN -0.034 nan 8.240 nan 0.000 0.536 330 K N 1.248 121.648 120.400 -0.000 0.000 2.362 330 K HA -0.037 4.283 4.320 -0.001 0.000 0.200 330 K C 1.618 178.208 176.600 -0.017 0.000 1.046 330 K CA 1.083 57.370 56.287 -0.001 0.000 0.952 330 K CB -0.050 32.449 32.500 -0.003 0.000 0.753 330 K HN 0.212 nan 8.250 nan 0.000 0.466 331 D N 0.715 121.097 120.400 -0.030 0.000 2.084 331 D HA -0.133 4.506 4.640 -0.001 0.000 0.196 331 D C 1.921 178.163 176.300 -0.098 0.000 0.985 331 D CA 1.035 55.001 54.000 -0.056 0.000 0.826 331 D CB 0.185 40.952 40.800 -0.055 0.000 0.978 331 D HN 0.083 nan 8.370 nan 0.000 0.456 332 Q N 0.545 120.287 119.800 -0.097 0.000 1.967 332 Q HA -0.214 4.126 4.340 -0.001 0.000 0.210 332 Q C 2.404 178.322 176.000 -0.138 0.000 1.005 332 Q CA 1.390 57.091 55.803 -0.170 0.000 0.862 332 Q CB -0.539 28.193 28.738 -0.010 0.000 0.939 332 Q HN 0.286 nan 8.270 nan 0.000 0.417 333 R N 0.474 120.993 120.500 0.032 0.000 2.179 333 R HA -0.247 4.093 4.340 -0.001 0.000 0.238 333 R C 2.387 178.709 176.300 0.038 0.000 1.119 333 R CA 2.021 58.177 56.100 0.093 0.000 0.915 333 R CB -0.967 29.371 30.300 0.064 0.000 0.870 333 R HN 0.427 nan 8.270 nan 0.000 0.432 334 A N 1.085 123.900 122.820 -0.008 0.000 1.940 334 A HA -0.255 4.064 4.320 -0.001 0.000 0.221 334 A C 2.079 179.636 177.584 -0.044 0.000 1.190 334 A CA 1.966 53.991 52.037 -0.020 0.000 0.647 334 A CB -0.805 18.176 19.000 -0.032 0.000 0.821 334 A HN 0.344 nan 8.150 nan 0.000 0.457 335 L N -1.092 120.056 121.223 -0.126 0.000 1.955 335 L HA -0.096 4.243 4.340 -0.001 0.000 0.213 335 L C 2.276 179.072 176.870 -0.123 0.000 1.072 335 L CA 2.233 56.951 54.840 -0.203 0.000 0.755 335 L CB -1.354 40.458 42.059 -0.412 0.000 0.888 335 L HN 0.402 nan 8.230 nan 0.000 0.432 336 F N 0.148 120.094 119.950 -0.008 0.000 2.161 336 F HA -0.237 4.290 4.527 -0.001 0.000 0.300 336 F C 2.626 178.422 175.800 -0.006 0.000 1.089 336 F CA 1.539 59.535 58.000 -0.007 0.000 1.282 336 F CB -0.358 38.638 39.000 -0.007 0.000 1.010 336 F HN 0.191 nan 8.300 nan 0.000 0.485 337 K N 0.576 121.077 120.400 0.168 0.000 2.057 337 K HA -0.237 4.083 4.320 -0.001 0.000 0.207 337 K C 1.949 178.589 176.600 0.066 0.000 1.049 337 K CA 1.633 57.977 56.287 0.095 0.000 0.931 337 K CB -0.099 32.438 32.500 0.060 0.000 0.714 337 K HN 0.333 nan 8.250 nan 0.000 0.440 338 Q N 0.094 119.922 119.800 0.048 0.000 2.046 338 Q HA -0.214 4.125 4.340 -0.001 0.000 0.200 338 Q C 2.216 178.244 176.000 0.047 0.000 0.975 338 Q CA 1.634 57.457 55.803 0.032 0.000 0.836 338 Q CB -0.094 28.649 28.738 0.009 0.000 0.896 338 Q HN 0.400 nan 8.270 nan 0.000 0.428 339 Q N 0.742 120.585 119.800 0.071 0.000 2.152 339 Q HA -0.192 4.147 4.340 -0.001 0.000 0.206 339 Q C 2.009 178.054 176.000 0.076 0.000 0.985 339 Q CA 1.061 56.916 55.803 0.087 0.000 0.863 339 Q CB -0.099 28.740 28.738 0.168 0.000 0.904 339 Q HN 0.432 nan 8.270 nan 0.000 0.422 340 L N 0.260 121.532 121.223 0.081 0.000 1.994 340 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 340 L C 2.152 179.051 176.870 0.049 0.000 1.071 340 L CA 1.376 56.250 54.840 0.057 0.000 0.745 340 L CB -0.254 41.836 42.059 0.051 0.000 0.892 340 L HN 0.268 nan 8.230 nan 0.000 0.431 341 E N 0.224 120.451 120.200 0.045 0.000 2.130 341 E HA -0.249 4.100 4.350 -0.001 0.000 0.196 341 E C 2.162 178.790 176.600 0.047 0.000 0.998 341 E CA 1.597 58.021 56.400 0.039 0.000 0.806 341 E CB -0.167 29.552 29.700 0.031 0.000 0.738 341 E HN 0.630 nan 8.360 nan 0.000 0.459 342 I N 0.578 121.177 120.570 0.048 0.000 2.286 342 I HA -0.190 3.979 4.170 -0.001 0.000 0.245 342 I C 2.504 178.672 176.117 0.084 0.000 1.104 342 I CA 0.740 62.072 61.300 0.055 0.000 1.397 342 I CB -0.456 37.564 38.000 0.033 0.000 1.072 342 I HN 0.036 nan 8.210 nan 0.000 0.417 343 I N 1.557 122.171 120.570 0.073 0.000 2.127 343 I HA -0.289 3.880 4.170 -0.001 0.000 0.241 343 I C 3.011 179.213 176.117 0.143 0.000 1.075 343 I CA 1.458 62.822 61.300 0.107 0.000 1.334 343 I CB -0.709 37.332 38.000 0.069 0.000 1.040 343 I HN 0.168 nan 8.210 nan 0.000 0.405 344 A N 1.074 123.946 122.820 0.087 0.000 1.869 344 A HA -0.316 4.003 4.320 -0.001 0.000 0.218 344 A C 2.464 180.090 177.584 0.070 0.000 1.203 344 A CA 2.396 54.473 52.037 0.066 0.000 0.638 344 A CB -0.919 18.106 19.000 0.043 0.000 0.831 344 A HN 0.377 nan 8.150 nan 0.000 0.450 345 R N -2.271 118.276 120.500 0.078 0.000 2.127 345 R HA -0.196 4.143 4.340 -0.001 0.000 0.238 345 R C 2.039 178.394 176.300 0.091 0.000 1.134 345 R CA 1.908 58.050 56.100 0.069 0.000 0.975 345 R CB -0.385 29.955 30.300 0.067 0.000 0.865 345 R HN 0.723 nan 8.270 nan 0.000 0.447 346 Y N 0.272 120.575 120.300 0.006 0.000 2.337 346 Y HA 0.014 4.564 4.550 -0.001 0.000 0.293 346 Y C 1.396 177.299 175.900 0.004 0.000 1.123 346 Y CA 1.079 59.182 58.100 0.005 0.000 1.201 346 Y CB 0.127 38.591 38.460 0.006 0.000 1.011 346 Y HN -0.007 nan 8.280 nan 0.000 0.545 347 L N 0.648 121.851 121.223 -0.033 0.000 2.599 347 L HA 0.002 4.341 4.340 -0.001 0.000 0.230 347 L C 0.438 177.246 176.870 -0.103 0.000 1.141 347 L CA 0.349 55.123 54.840 -0.111 0.000 0.877 347 L CB -0.298 41.773 42.059 0.020 0.000 1.009 347 L HN -0.002 nan 8.230 nan 0.000 0.447 348 K N 1.320 121.673 120.400 -0.077 0.000 3.150 348 K HA -0.186 4.133 4.320 -0.001 0.000 0.267 348 K C -0.257 176.325 176.600 -0.030 0.000 1.028 348 K CA 1.019 57.274 56.287 -0.054 0.000 0.753 348 K CB -1.704 30.749 32.500 -0.078 0.000 1.288 348 K HN 0.535 nan 8.250 nan 0.000 0.473 349 M N -1.241 118.353 119.600 -0.011 0.000 2.197 349 M HA 0.384 4.863 4.480 -0.001 0.000 0.301 349 M C -0.464 175.839 176.300 0.004 0.000 0.987 349 M CA -0.836 54.462 55.300 -0.003 0.000 0.921 349 M CB 2.016 34.616 32.600 0.000 0.000 1.569 349 M HN -0.090 nan 8.290 nan 0.000 0.431 350 D N 3.860 124.262 120.400 0.003 0.000 2.358 350 D HA 0.163 4.802 4.640 -0.001 0.000 0.258 350 D C 0.649 176.954 176.300 0.007 0.000 1.223 350 D CA 0.026 54.029 54.000 0.006 0.000 0.886 350 D CB 0.906 41.710 40.800 0.006 0.000 1.120 350 D HN 0.847 nan 8.370 nan 0.000 0.482 351 L N 3.516 124.744 121.223 0.008 0.000 2.027 351 L HA -0.081 4.258 4.340 -0.001 0.000 0.206 351 L C 1.910 178.781 176.870 0.002 0.000 1.074 351 L CA 0.969 55.813 54.840 0.006 0.000 0.745 351 L CB -0.085 41.979 42.059 0.007 0.000 0.898 351 L HN 0.337 nan 8.230 nan 0.000 0.433 352 R N -0.462 120.040 120.500 0.003 0.000 2.426 352 R HA 0.178 4.517 4.340 -0.001 0.000 0.263 352 R C 1.780 178.084 176.300 0.008 0.000 0.961 352 R CA 0.287 56.387 56.100 -0.001 0.000 1.086 352 R CB 0.143 30.442 30.300 -0.002 0.000 1.186 352 R HN 0.195 nan 8.270 nan 0.000 0.537 353 A N 0.362 123.189 122.820 0.011 0.000 2.172 353 A HA -0.002 4.317 4.320 -0.001 0.000 0.216 353 A C 2.036 179.637 177.584 0.028 0.000 1.154 353 A CA 1.339 53.387 52.037 0.019 0.000 0.701 353 A CB -0.376 18.632 19.000 0.014 0.000 0.789 353 A HN 0.442 nan 8.150 nan 0.000 0.465 354 G N 0.316 109.129 108.800 0.022 0.000 2.404 354 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.214 354 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.214 354 G C 0.987 175.921 174.900 0.056 0.000 1.189 354 G CA 1.109 46.229 45.100 0.033 0.000 0.789 354 G HN 0.524 nan 8.290 nan 0.000 0.533 355 D N 0.445 120.854 120.400 0.015 0.000 2.178 355 D HA 0.000 4.640 4.640 -0.001 0.000 0.202 355 D C 2.382 178.741 176.300 0.099 0.000 0.974 355 D CA 0.678 54.680 54.000 0.003 0.000 0.841 355 D CB 0.083 40.843 40.800 -0.065 0.000 0.953 355 D HN 0.247 nan 8.370 nan 0.000 0.478 356 K N 0.581 121.024 120.400 0.071 0.000 2.002 356 K HA -0.054 4.265 4.320 -0.001 0.000 0.209 356 K C 2.189 178.848 176.600 0.098 0.000 1.048 356 K CA 1.251 57.582 56.287 0.074 0.000 0.930 356 K CB -0.220 32.306 32.500 0.043 0.000 0.714 356 K HN 0.117 nan 8.250 nan 0.000 0.438 357 A N 0.958 123.834 122.820 0.094 0.000 2.015 357 A HA -0.144 4.176 4.320 -0.001 0.000 0.219 357 A C 1.940 179.591 177.584 0.112 0.000 1.163 357 A CA 0.918 53.003 52.037 0.080 0.000 0.646 357 A CB -0.605 18.431 19.000 0.060 0.000 0.806 357 A HN 0.382 nan 8.150 nan 0.000 0.448 358 F N 0.387 120.336 119.950 -0.002 0.000 2.051 358 F HA -0.163 4.363 4.527 -0.001 0.000 0.296 358 F C 2.204 178.003 175.800 -0.001 0.000 1.122 358 F CA 2.077 60.076 58.000 -0.002 0.000 1.201 358 F CB -0.431 38.567 39.000 -0.002 0.000 0.978 358 F HN 0.021 nan 8.300 nan 0.000 0.472 359 V N 1.157 121.340 119.914 0.449 0.000 2.250 359 V HA -0.442 3.677 4.120 -0.001 0.000 0.253 359 V C 2.769 178.880 176.094 0.028 0.000 1.065 359 V CA 2.222 64.670 62.300 0.246 0.000 1.039 359 V CB -1.584 30.355 31.823 0.192 0.000 0.647 359 V HN 0.607 nan 8.190 nan 0.000 0.446 360 A N -0.008 122.829 122.820 0.029 0.000 1.873 360 A HA -0.282 4.037 4.320 -0.001 0.000 0.218 360 A C 2.562 180.111 177.584 -0.058 0.000 1.193 360 A CA 2.892 54.924 52.037 -0.009 0.000 0.629 360 A CB -1.036 17.968 19.000 0.006 0.000 0.826 360 A HN 0.736 nan 8.150 nan 0.000 0.447 361 S N -0.974 114.668 115.700 -0.097 0.000 2.447 361 S HA -0.148 4.322 4.470 -0.001 0.000 0.233 361 S C 1.709 176.201 174.600 -0.180 0.000 1.006 361 S CA 1.288 59.413 58.200 -0.126 0.000 0.957 361 S CB -0.414 62.706 63.200 -0.134 0.000 0.773 361 S HN 0.621 nan 8.310 nan 0.000 0.507 362 Q N -0.294 119.351 119.800 -0.259 0.000 2.444 362 Q HA 0.116 4.456 4.340 -0.001 0.000 0.206 362 Q C 1.353 177.282 176.000 -0.119 0.000 0.948 362 Q CA 0.548 56.200 55.803 -0.253 0.000 0.946 362 Q CB 0.138 28.638 28.738 -0.397 0.000 1.027 362 Q HN 0.574 nan 8.270 nan 0.000 0.513 363 E N -0.532 119.619 120.200 -0.081 0.000 2.201 363 E HA 0.038 4.387 4.350 -0.001 0.000 0.193 363 E C 1.720 178.296 176.600 -0.040 0.000 0.957 363 E CA 0.591 56.965 56.400 -0.043 0.000 0.858 363 E CB 0.246 29.932 29.700 -0.024 0.000 0.816 363 E HN 0.013 nan 8.360 nan 0.000 0.475 364 S N 0.503 116.174 115.700 -0.048 0.000 2.402 364 S HA -0.127 4.343 4.470 -0.001 0.000 0.229 364 S C 1.729 176.305 174.600 -0.041 0.000 1.021 364 S CA 0.784 58.961 58.200 -0.038 0.000 0.974 364 S CB -0.155 63.022 63.200 -0.039 0.000 0.800 364 S HN 0.286 nan 8.310 nan 0.000 0.484 365 Q N 0.591 120.355 119.800 -0.061 0.000 2.437 365 Q HA -0.006 4.334 4.340 -0.001 0.000 0.210 365 Q C 1.644 177.621 176.000 -0.039 0.000 0.972 365 Q CA 0.818 56.586 55.803 -0.058 0.000 0.903 365 Q CB 0.064 28.749 28.738 -0.089 0.000 0.967 365 Q HN 0.461 nan 8.270 nan 0.000 0.486 366 K N -0.881 119.499 120.400 -0.033 0.000 2.211 366 K HA 0.053 4.372 4.320 -0.001 0.000 0.201 366 K C 1.912 178.507 176.600 -0.008 0.000 1.052 366 K CA 0.660 56.936 56.287 -0.019 0.000 0.973 366 K CB 0.147 32.637 32.500 -0.017 0.000 0.766 366 K HN 0.082 nan 8.250 nan 0.000 0.466 367 A N 1.508 124.322 122.820 -0.009 0.000 1.930 367 A HA -0.103 4.217 4.320 -0.001 0.000 0.217 367 A C 2.007 179.597 177.584 0.010 0.000 1.175 367 A CA 1.070 53.106 52.037 -0.001 0.000 0.627 367 A CB -0.454 18.544 19.000 -0.003 0.000 0.815 367 A HN 0.099 nan 8.150 nan 0.000 0.443 368 L N -1.286 119.941 121.223 0.007 0.000 1.961 368 L HA -0.216 4.123 4.340 -0.001 0.000 0.209 368 L C 2.843 179.732 176.870 0.031 0.000 1.075 368 L CA 1.993 56.845 54.840 0.019 0.000 0.749 368 L CB -1.008 41.052 42.059 0.003 0.000 0.890 368 L HN 0.470 nan 8.230 nan 0.000 0.433 369 Q N 0.267 120.076 119.800 0.016 0.000 2.217 369 Q HA -0.233 4.107 4.340 -0.001 0.000 0.209 369 Q C 1.987 178.006 176.000 0.031 0.000 0.988 369 Q CA 2.118 57.934 55.803 0.022 0.000 0.878 369 Q CB -0.230 28.512 28.738 0.007 0.000 0.909 369 Q HN 0.476 nan 8.270 nan 0.000 0.424 370 A N 0.165 122.999 122.820 0.023 0.000 1.841 370 A HA -0.307 4.013 4.320 -0.001 0.000 0.216 370 A C 2.073 179.677 177.584 0.033 0.000 1.199 370 A CA 1.892 53.941 52.037 0.020 0.000 0.621 370 A CB -1.053 17.952 19.000 0.009 0.000 0.835 370 A HN 0.624 nan 8.150 nan 0.000 0.445 371 Q N -0.632 119.197 119.800 0.049 0.000 2.061 371 Q HA -0.145 4.194 4.340 -0.001 0.000 0.204 371 Q C 1.973 178.079 176.000 0.176 0.000 0.984 371 Q CA 1.829 57.677 55.803 0.077 0.000 0.846 371 Q CB -0.339 28.464 28.738 0.108 0.000 0.902 371 Q HN 0.609 nan 8.270 nan 0.000 0.421 372 L N 0.529 121.869 121.223 0.194 0.000 2.353 372 L HA -0.159 4.180 4.340 -0.001 0.000 0.220 372 L C 1.049 178.037 176.870 0.195 0.000 1.133 372 L CA 1.362 56.351 54.840 0.248 0.000 0.798 372 L CB -0.087 42.042 42.059 0.117 0.000 0.922 372 L HN 0.235 nan 8.230 nan 0.000 0.445 373 D N -0.806 119.663 120.400 0.114 0.000 2.323 373 D HA -0.087 4.552 4.640 -0.001 0.000 0.209 373 D C 1.890 178.230 176.300 0.066 0.000 0.973 373 D CA 0.598 54.645 54.000 0.079 0.000 0.874 373 D CB 0.333 41.158 40.800 0.042 0.000 0.930 373 D HN 0.325 nan 8.370 nan 0.000 0.521 374 L N -0.775 120.473 121.223 0.041 0.000 2.007 374 L HA -0.020 4.319 4.340 -0.001 0.000 0.205 374 L C 1.891 178.757 176.870 -0.006 0.000 1.073 374 L CA 1.567 56.375 54.840 -0.054 0.000 0.744 374 L CB -0.764 41.179 42.059 -0.194 0.000 0.898 374 L HN 0.002 nan 8.230 nan 0.000 0.435 375 W N 0.071 121.395 121.300 0.039 0.000 2.304 375 W HA -0.270 4.389 4.660 -0.001 0.000 0.315 375 W C 2.651 179.226 176.519 0.095 0.000 1.233 375 W CA 1.352 58.732 57.345 0.057 0.000 1.261 375 W CB -0.518 28.925 29.460 -0.028 0.000 1.150 375 W HN 0.239 nan 8.180 nan 0.000 0.494 376 Q N -0.491 119.483 119.800 0.289 0.000 2.226 376 Q HA -0.125 4.214 4.340 -0.001 0.000 0.204 376 Q C 2.194 178.276 176.000 0.136 0.000 0.975 376 Q CA 1.732 57.645 55.803 0.183 0.000 0.866 376 Q CB -0.717 28.094 28.738 0.122 0.000 0.915 376 Q HN 0.430 nan 8.270 nan 0.000 0.440 377 A N 0.153 123.035 122.820 0.104 0.000 2.044 377 A HA -0.012 4.307 4.320 -0.001 0.000 0.213 377 A C 1.713 179.299 177.584 0.004 0.000 1.169 377 A CA 0.322 52.383 52.037 0.040 0.000 0.724 377 A CB 0.217 19.222 19.000 0.008 0.000 0.840 377 A HN 0.092 nan 8.150 nan 0.000 0.463 378 E N -0.735 119.477 120.200 0.020 0.000 2.478 378 E HA -0.010 4.339 4.350 -0.001 0.000 0.194 378 E C 0.561 176.938 176.600 -0.372 0.000 1.045 378 E CA 0.736 57.046 56.400 -0.150 0.000 0.868 378 E CB 0.065 29.654 29.700 -0.185 0.000 0.885 378 E HN 0.832 nan 8.360 nan 0.000 0.505 379 H N -1.377 117.639 119.070 -0.090 0.000 3.266 379 H HA 0.313 4.868 4.556 -0.001 0.000 0.246 379 H C 0.777 176.075 175.328 -0.050 0.000 0.998 379 H CA 0.494 56.424 56.048 -0.197 0.000 1.152 379 H CB 1.057 30.621 29.762 -0.331 0.000 1.466 379 H HN 0.177 nan 8.280 nan 0.000 0.481 380 G N 0.993 109.875 108.800 0.136 0.000 2.814 380 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.677 380 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.677 380 G C -0.039 174.955 174.900 0.156 0.000 1.429 380 G CA 0.061 45.231 45.100 0.116 0.000 0.868 380 G HN 0.244 nan 8.290 nan 0.000 0.553 381 D N -0.132 120.333 120.400 0.109 0.000 2.097 381 D HA -0.097 4.542 4.640 -0.001 0.000 0.197 381 D C 2.711 179.070 176.300 0.099 0.000 0.984 381 D CA 1.670 55.725 54.000 0.091 0.000 0.826 381 D CB -0.105 40.728 40.800 0.055 0.000 0.973 381 D HN 0.540 nan 8.370 nan 0.000 0.460 382 I N -0.032 120.596 120.570 0.098 0.000 2.361 382 I HA -0.270 3.899 4.170 -0.001 0.000 0.251 382 I C 2.424 178.594 176.117 0.089 0.000 1.133 382 I CA 0.918 62.262 61.300 0.073 0.000 1.413 382 I CB -0.497 37.542 38.000 0.066 0.000 1.073 382 I HN -0.011 nan 8.210 nan 0.000 0.424 383 Y N 2.170 122.492 120.300 0.037 0.000 2.133 383 Y HA -0.243 4.306 4.550 -0.001 0.000 0.287 383 Y C 2.740 178.644 175.900 0.008 0.000 1.134 383 Y CA 1.711 59.838 58.100 0.046 0.000 1.133 383 Y CB -0.328 38.203 38.460 0.119 0.000 0.987 383 Y HN 0.089 nan 8.280 nan 0.000 0.502 384 A N 0.884 123.858 122.820 0.256 0.000 1.884 384 A HA -0.309 4.010 4.320 -0.001 0.000 0.219 384 A C 2.424 179.985 177.584 -0.038 0.000 1.197 384 A CA 2.712 54.815 52.037 0.110 0.000 0.637 384 A CB -1.754 17.305 19.000 0.097 0.000 0.827 384 A HN 0.682 nan 8.150 nan 0.000 0.450 385 A N -0.908 121.896 122.820 -0.027 0.000 1.908 385 A HA 0.102 4.422 4.320 -0.001 0.000 0.218 385 A C 2.328 179.844 177.584 -0.114 0.000 1.181 385 A CA 1.944 53.944 52.037 -0.062 0.000 0.627 385 A CB -1.342 17.636 19.000 -0.036 0.000 0.818 385 A HN 0.976 nan 8.150 nan 0.000 0.445 386 G N -0.259 108.452 108.800 -0.148 0.000 2.776 386 G HA2 0.136 4.095 3.960 -0.001 0.000 0.209 386 G HA3 0.136 4.095 3.960 -0.001 0.000 0.209 386 G C 1.172 175.908 174.900 -0.274 0.000 1.145 386 G CA 0.848 45.831 45.100 -0.196 0.000 0.791 386 G HN 0.852 nan 8.290 nan 0.000 0.530 387 I N -2.899 117.490 120.570 -0.301 0.000 4.139 387 I HA 0.376 4.545 4.170 -0.001 0.000 0.335 387 I C -0.188 175.794 176.117 -0.225 0.000 1.327 387 I CA -0.283 60.832 61.300 -0.308 0.000 1.112 387 I CB 0.293 38.069 38.000 -0.373 0.000 1.058 387 I HN -0.108 nan 8.210 nan 0.000 0.396 388 E N 4.317 124.405 120.200 -0.188 0.000 2.417 388 E HA 0.177 4.526 4.350 -0.001 0.000 0.261 388 E C -2.110 174.396 176.600 -0.157 0.000 1.000 388 E CA -1.686 54.620 56.400 -0.156 0.000 0.919 388 E CB 0.042 29.665 29.700 -0.128 0.000 0.955 388 E HN 0.242 nan 8.360 nan 0.000 0.455 389 P HA -0.080 nan 4.420 nan 0.000 0.269 389 P C -0.324 176.909 177.300 -0.110 0.000 1.217 389 P CA 0.352 63.377 63.100 -0.125 0.000 0.783 389 P CB 0.726 32.371 31.700 -0.091 0.000 0.898 390 A N 1.218 123.988 122.820 -0.085 0.000 2.644 390 A HA 0.161 4.480 4.320 -0.001 0.000 0.193 390 A C 0.061 177.621 177.584 -0.040 0.000 1.464 390 A CA -0.059 51.931 52.037 -0.078 0.000 1.095 390 A CB -0.521 18.431 19.000 -0.080 0.000 1.405 390 A HN 0.455 nan 8.150 nan 0.000 0.558 391 F N 2.007 121.896 119.950 -0.102 0.000 2.495 391 F HA 0.513 5.039 4.527 -0.001 0.000 0.365 391 F C -0.455 175.260 175.800 -0.142 0.000 1.090 391 F CA -0.137 57.821 58.000 -0.070 0.000 1.235 391 F CB 0.580 39.604 39.000 0.040 0.000 1.119 391 F HN 0.118 nan 8.300 nan 0.000 0.562 392 D N 8.072 127.797 120.400 -1.126 0.000 2.470 392 D HA 0.316 4.956 4.640 -0.001 0.000 0.233 392 D C -2.244 173.427 176.300 -1.048 0.000 1.372 392 D CA -1.990 51.444 54.000 -0.943 0.000 0.994 392 D CB 1.957 42.441 40.800 -0.528 0.000 1.377 392 D HN 0.140 nan 8.370 nan 0.000 0.586 393 P HA -0.125 nan 4.420 nan 0.000 0.218 393 P C 1.341 178.321 177.300 -0.532 0.000 1.146 393 P CA 1.048 63.620 63.100 -0.879 0.000 0.820 393 P CB 0.206 31.611 31.700 -0.492 0.000 0.778 394 L N -1.767 119.205 121.223 -0.418 0.000 2.478 394 L HA -0.007 4.332 4.340 -0.001 0.000 0.223 394 L C 1.878 178.578 176.870 -0.283 0.000 1.140 394 L CA 1.105 55.777 54.840 -0.279 0.000 0.842 394 L CB -0.607 41.318 42.059 -0.224 0.000 0.953 394 L HN -0.008 nan 8.230 nan 0.000 0.452 395 K N 0.702 120.865 120.400 -0.395 0.000 2.356 395 K HA 0.208 4.528 4.320 -0.001 0.000 0.195 395 K C 0.972 177.444 176.600 -0.214 0.000 1.037 395 K CA 0.004 56.041 56.287 -0.415 0.000 1.014 395 K CB 0.298 32.333 32.500 -0.776 0.000 0.815 395 K HN 0.157 nan 8.250 nan 0.000 0.507 396 A N 2.571 125.240 122.820 -0.250 0.000 2.561 396 A HA -0.008 4.312 4.320 -0.001 0.000 0.251 396 A C -0.307 177.239 177.584 -0.063 0.000 1.062 396 A CA 0.391 52.348 52.037 -0.133 0.000 0.761 396 A CB 0.011 18.876 19.000 -0.225 0.000 0.986 396 A HN 0.195 nan 8.150 nan 0.000 0.510 397 R N 2.029 122.484 120.500 -0.075 0.000 2.514 397 R HA 0.566 4.906 4.340 -0.001 0.000 0.301 397 R C -1.368 174.675 176.300 -0.429 0.000 0.962 397 R CA -0.741 55.258 56.100 -0.169 0.000 0.882 397 R CB 1.937 32.185 30.300 -0.087 0.000 1.143 397 R HN 0.408 nan 8.270 nan 0.000 0.452 398 V N 4.185 123.919 119.914 -0.299 0.000 2.448 398 V HA 0.339 4.458 4.120 -0.001 0.000 0.295 398 V C -1.250 174.788 176.094 -0.093 0.000 1.025 398 V CA -0.762 61.374 62.300 -0.273 0.000 0.859 398 V CB 1.304 33.074 31.823 -0.089 0.000 0.988 398 V HN 0.549 nan 8.190 nan 0.000 0.431 399 Y N 3.722 123.894 120.300 -0.215 0.000 2.328 399 Y HA 0.547 5.097 4.550 -0.001 0.000 0.333 399 Y C 0.393 175.911 175.900 -0.637 0.000 0.958 399 Y CA -2.076 55.795 58.100 -0.382 0.000 1.167 399 Y CB 1.417 39.574 38.460 -0.506 0.000 1.151 399 Y HN 0.853 nan 8.280 nan 0.000 0.470 400 D N -1.580 118.774 120.400 -0.077 0.000 2.530 400 D HA -0.004 4.636 4.640 -0.001 0.000 0.253 400 D C -0.074 176.394 176.300 0.280 0.000 1.338 400 D CA -0.012 54.049 54.000 0.102 0.000 0.806 400 D CB -0.447 40.421 40.800 0.114 0.000 1.160 400 D HN 0.189 nan 8.370 nan 0.000 0.514 401 S N 0.396 116.221 115.700 0.208 0.000 3.697 401 S HA 0.203 4.672 4.470 -0.001 0.000 0.207 401 S C 1.508 175.812 174.600 -0.493 0.000 1.459 401 S CA 0.089 58.097 58.200 -0.320 0.000 1.122 401 S CB -0.198 62.523 63.200 -0.798 0.000 1.311 401 S HN 0.253 nan 8.310 nan 0.000 0.487 402 S N 2.438 118.160 115.700 0.035 0.000 2.372 402 S HA -0.226 4.244 4.470 -0.001 0.000 0.227 402 S C 1.963 176.483 174.600 -0.133 0.000 1.044 402 S CA 1.060 59.273 58.200 0.020 0.000 1.050 402 S CB -1.295 61.970 63.200 0.108 0.000 0.901 402 S HN 0.936 nan 8.310 nan 0.000 0.447 403 W N 2.746 124.010 121.300 -0.060 0.000 2.301 403 W HA -0.210 4.450 4.660 -0.001 0.000 0.325 403 W C 2.162 178.587 176.519 -0.156 0.000 1.250 403 W CA 1.289 58.586 57.345 -0.081 0.000 1.261 403 W CB -1.659 27.758 29.460 -0.071 0.000 1.157 403 W HN 0.439 nan 8.180 nan 0.000 0.473 404 N N 0.571 118.608 118.700 -1.105 0.000 2.120 404 N HA -0.195 4.544 4.740 -0.001 0.000 0.188 404 N C 1.752 176.925 175.510 -0.562 0.000 1.024 404 N CA 2.224 54.664 53.050 -1.016 0.000 0.852 404 N CB -0.810 36.558 38.487 -1.866 0.000 1.003 404 N HN 0.351 nan 8.380 nan 0.000 0.424 405 W N 1.336 122.453 121.300 -0.306 0.000 2.363 405 W HA -0.045 4.614 4.660 -0.001 0.000 0.296 405 W C 2.664 179.123 176.519 -0.100 0.000 1.212 405 W CA 0.324 57.556 57.345 -0.188 0.000 1.260 405 W CB -0.266 29.071 29.460 -0.205 0.000 1.131 405 W HN 0.117 nan 8.180 nan 0.000 0.530 406 A N 1.710 124.602 122.820 0.119 0.000 1.859 406 A HA -0.268 4.051 4.320 -0.001 0.000 0.217 406 A C 1.900 179.578 177.584 0.157 0.000 1.198 406 A CA 2.219 54.328 52.037 0.120 0.000 0.629 406 A CB -1.030 18.039 19.000 0.115 0.000 0.830 406 A HN 0.341 nan 8.150 nan 0.000 0.446 407 R N -0.552 120.035 120.500 0.144 0.000 2.139 407 R HA -0.210 4.130 4.340 -0.001 0.000 0.243 407 R C 2.457 178.914 176.300 0.262 0.000 1.145 407 R CA 1.656 57.889 56.100 0.222 0.000 0.976 407 R CB -0.386 29.782 30.300 -0.219 0.000 0.866 407 R HN 0.839 nan 8.270 nan 0.000 0.449 408 Q N 1.088 120.982 119.800 0.156 0.000 1.990 408 Q HA -0.168 4.172 4.340 -0.001 0.000 0.200 408 Q C 1.132 177.221 176.000 0.149 0.000 0.980 408 Q CA 1.865 57.765 55.803 0.162 0.000 0.832 408 Q CB 0.115 28.977 28.738 0.206 0.000 0.897 408 Q HN 0.209 nan 8.270 nan 0.000 0.427 409 D N 0.639 121.115 120.400 0.128 0.000 2.144 409 D HA -0.144 4.495 4.640 -0.001 0.000 0.199 409 D C 1.699 178.059 176.300 0.100 0.000 0.984 409 D CA 1.285 55.335 54.000 0.083 0.000 0.834 409 D CB -0.450 40.382 40.800 0.053 0.000 0.955 409 D HN 0.434 nan 8.370 nan 0.000 0.465 410 A N 1.193 124.095 122.820 0.136 0.000 1.834 410 A HA -0.163 4.157 4.320 -0.001 0.000 0.216 410 A C 2.259 179.902 177.584 0.098 0.000 1.203 410 A CA 1.409 53.520 52.037 0.123 0.000 0.621 410 A CB -1.172 17.936 19.000 0.180 0.000 0.841 410 A HN 0.291 nan 8.150 nan 0.000 0.446 411 L N -0.456 120.841 121.223 0.124 0.000 2.261 411 L HA -0.145 4.194 4.340 -0.001 0.000 0.216 411 L C 2.623 179.622 176.870 0.216 0.000 1.114 411 L CA 1.806 56.672 54.840 0.044 0.000 0.777 411 L CB -0.157 41.974 42.059 0.120 0.000 0.910 411 L HN 0.462 nan 8.230 nan 0.000 0.440 412 S N -0.661 115.146 115.700 0.179 0.000 2.371 412 S HA -0.222 4.247 4.470 -0.001 0.000 0.224 412 S C 1.999 176.706 174.600 0.178 0.000 1.029 412 S CA 1.520 59.819 58.200 0.165 0.000 0.978 412 S CB -0.190 63.059 63.200 0.081 0.000 0.833 412 S HN 0.559 nan 8.310 nan 0.000 0.466 413 M N -0.240 119.440 119.600 0.133 0.000 2.200 413 M HA -0.072 4.407 4.480 -0.001 0.000 0.265 413 M C 1.880 178.251 176.300 0.119 0.000 1.066 413 M CA 1.570 56.929 55.300 0.099 0.000 1.127 413 M CB -0.417 32.217 32.600 0.057 0.000 1.379 413 M HN 0.611 nan 8.290 nan 0.000 0.420 414 Y N 0.347 120.629 120.300 -0.030 0.000 2.040 414 Y HA -0.376 4.173 4.550 -0.001 0.000 0.275 414 Y C 1.652 177.476 175.900 -0.126 0.000 1.171 414 Y CA 2.383 60.403 58.100 -0.134 0.000 1.123 414 Y CB -0.723 37.581 38.460 -0.259 0.000 0.963 414 Y HN 0.245 nan 8.280 nan 0.000 0.493 415 Y N 0.518 121.078 120.300 0.434 0.000 2.421 415 Y HA -0.198 4.351 4.550 -0.001 0.000 0.292 415 Y C 2.216 178.286 175.900 0.284 0.000 1.136 415 Y CA 1.123 59.451 58.100 0.380 0.000 1.255 415 Y CB -0.340 38.343 38.460 0.372 0.000 0.991 415 Y HN 0.257 nan 8.280 nan 0.000 0.552 416 D N 0.187 120.750 120.400 0.272 0.000 2.097 416 D HA -0.156 4.483 4.640 -0.001 0.000 0.197 416 D C 2.183 178.542 176.300 0.099 0.000 0.984 416 D CA 1.226 55.321 54.000 0.160 0.000 0.826 416 D CB -0.261 40.588 40.800 0.081 0.000 0.973 416 D HN 0.308 nan 8.370 nan 0.000 0.460 417 I N 1.006 121.575 120.570 -0.002 0.000 2.142 417 I HA -0.229 3.941 4.170 -0.001 0.000 0.240 417 I C 2.302 178.331 176.117 -0.146 0.000 1.078 417 I CA 0.767 62.012 61.300 -0.091 0.000 1.343 417 I CB -0.060 37.835 38.000 -0.174 0.000 1.046 417 I HN -0.024 nan 8.210 nan 0.000 0.405 418 I N -0.424 119.987 120.570 -0.265 0.000 2.530 418 I HA -0.281 3.888 4.170 -0.001 0.000 0.257 418 I C 1.790 177.662 176.117 -0.410 0.000 1.179 418 I CA 1.618 62.619 61.300 -0.499 0.000 1.440 418 I CB -0.395 37.124 38.000 -0.802 0.000 1.087 418 I HN 0.184 nan 8.210 nan 0.000 0.440 419 F N 0.315 120.206 119.950 -0.098 0.000 2.731 419 F HA 0.277 4.804 4.527 -0.001 0.000 0.298 419 F C 1.769 177.551 175.800 -0.030 0.000 1.106 419 F CA 0.598 58.579 58.000 -0.032 0.000 1.329 419 F CB 0.399 39.406 39.000 0.012 0.000 1.100 419 F HN 0.143 nan 8.300 nan 0.000 0.592 420 G N 0.827 109.687 108.800 0.099 0.000 2.142 420 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.225 420 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.225 420 G C 1.105 176.039 174.900 0.057 0.000 1.015 420 G CA 0.215 45.344 45.100 0.048 0.000 0.716 420 G HN 0.350 nan 8.290 nan 0.000 0.508 421 R N -1.005 119.539 120.500 0.074 0.000 2.193 421 R HA 0.305 4.644 4.340 -0.001 0.000 0.213 421 R C 1.021 177.331 176.300 0.016 0.000 1.055 421 R CA 0.712 56.835 56.100 0.038 0.000 0.995 421 R CB 0.171 30.489 30.300 0.029 0.000 0.893 421 R HN 0.445 nan 8.270 nan 0.000 0.459 422 L N 1.317 122.547 121.223 0.012 0.000 2.356 422 L HA 0.431 4.771 4.340 -0.001 0.000 0.277 422 L C -0.443 176.418 176.870 -0.015 0.000 0.996 422 L CA -0.755 54.081 54.840 -0.005 0.000 0.822 422 L CB 2.033 44.086 42.059 -0.009 0.000 1.256 422 L HN 0.007 nan 8.230 nan 0.000 0.413 423 R N 1.702 122.193 120.500 -0.016 0.000 2.720 423 R HA 0.384 4.724 4.340 -0.001 0.000 0.272 423 R C 0.729 177.015 176.300 -0.023 0.000 0.991 423 R CA -0.890 55.198 56.100 -0.021 0.000 1.010 423 R CB 1.620 31.911 30.300 -0.016 0.000 1.141 423 R HN 0.373 nan 8.270 nan 0.000 0.494 424 V N 0.994 120.892 119.914 -0.026 0.000 3.241 424 V HA -0.147 3.972 4.120 -0.001 0.000 0.269 424 V C 1.994 178.076 176.094 -0.021 0.000 1.151 424 V CA 0.868 63.153 62.300 -0.025 0.000 1.158 424 V CB -0.860 30.947 31.823 -0.026 0.000 0.764 424 V HN 0.591 nan 8.190 nan 0.000 0.508 425 V N 0.032 119.934 119.914 -0.019 0.000 2.220 425 V HA -0.204 3.916 4.120 -0.001 0.000 0.242 425 V C 0.816 176.899 176.094 -0.018 0.000 1.041 425 V CA 1.264 63.554 62.300 -0.018 0.000 0.990 425 V CB -0.792 31.021 31.823 -0.017 0.000 0.634 425 V HN 0.547 nan 8.190 nan 0.000 0.452 426 D N 1.235 121.624 120.400 -0.018 0.000 2.982 426 D HA -0.110 4.530 4.640 -0.001 0.000 0.222 426 D C 1.315 177.604 176.300 -0.019 0.000 1.124 426 D CA 0.337 54.326 54.000 -0.018 0.000 0.810 426 D CB 0.160 40.949 40.800 -0.017 0.000 1.152 426 D HN 0.187 nan 8.370 nan 0.000 0.538 427 R N 2.384 122.873 120.500 -0.018 0.000 2.211 427 R HA -0.158 4.182 4.340 -0.001 0.000 0.240 427 R C 1.608 177.893 176.300 -0.025 0.000 1.144 427 R CA 0.661 56.749 56.100 -0.020 0.000 0.992 427 R CB 0.001 30.292 30.300 -0.016 0.000 0.869 427 R HN 0.529 nan 8.270 nan 0.000 0.462 428 E N 0.838 121.024 120.200 -0.023 0.000 2.048 428 E HA -0.193 4.156 4.350 -0.001 0.000 0.202 428 E C 2.091 178.676 176.600 -0.025 0.000 1.021 428 E CA 1.152 57.536 56.400 -0.026 0.000 0.825 428 E CB -0.326 29.360 29.700 -0.024 0.000 0.756 428 E HN 0.336 nan 8.360 nan 0.000 0.454 429 I N 0.818 121.375 120.570 -0.022 0.000 2.236 429 I HA -0.312 3.857 4.170 -0.001 0.000 0.249 429 I C 2.422 178.526 176.117 -0.021 0.000 1.102 429 I CA 0.940 62.228 61.300 -0.020 0.000 1.365 429 I CB -0.497 37.490 38.000 -0.021 0.000 1.051 429 I HN -0.019 nan 8.210 nan 0.000 0.420 430 V N 0.096 119.996 119.914 -0.024 0.000 2.229 430 V HA -0.269 3.850 4.120 -0.001 0.000 0.243 430 V C 2.508 178.583 176.094 -0.031 0.000 1.042 430 V CA 2.151 64.435 62.300 -0.027 0.000 1.000 430 V CB -0.798 31.006 31.823 -0.031 0.000 0.637 430 V HN 0.357 nan 8.190 nan 0.000 0.446 431 S N -0.416 115.262 115.700 -0.037 0.000 2.380 431 S HA -0.364 4.105 4.470 -0.001 0.000 0.229 431 S C 2.018 176.599 174.600 -0.031 0.000 1.050 431 S CA 2.242 60.417 58.200 -0.041 0.000 1.100 431 S CB -0.505 62.669 63.200 -0.043 0.000 0.984 431 S HN 0.662 nan 8.310 nan 0.000 0.434 432 Q N -0.350 119.434 119.800 -0.027 0.000 2.077 432 Q HA -0.186 4.153 4.340 -0.001 0.000 0.206 432 Q C 2.560 178.554 176.000 -0.010 0.000 0.989 432 Q CA 1.619 57.410 55.803 -0.020 0.000 0.853 432 Q CB -0.617 28.113 28.738 -0.015 0.000 0.907 432 Q HN 0.556 nan 8.270 nan 0.000 0.418 433 C N 0.542 119.837 119.300 -0.009 0.000 2.403 433 C HA -0.158 4.301 4.460 -0.001 0.000 0.277 433 C C 2.628 177.617 174.990 -0.002 0.000 1.248 433 C CA 0.610 59.626 59.018 -0.003 0.000 1.762 433 C CB -0.999 26.737 27.740 -0.007 0.000 2.014 433 C HN 0.455 nan 8.230 nan 0.000 0.486 434 I N -0.100 120.463 120.570 -0.012 0.000 2.226 434 I HA -0.233 3.937 4.170 -0.001 0.000 0.245 434 I C 2.610 178.726 176.117 -0.002 0.000 1.100 434 I CA 1.403 62.696 61.300 -0.012 0.000 1.374 434 I CB -0.743 37.241 38.000 -0.025 0.000 1.057 434 I HN 0.277 nan 8.210 nan 0.000 0.413 435 Q N 1.041 120.837 119.800 -0.006 0.000 2.050 435 Q HA -0.118 4.222 4.340 -0.001 0.000 0.202 435 Q C 2.207 178.212 176.000 0.009 0.000 0.980 435 Q CA 1.689 57.489 55.803 -0.006 0.000 0.840 435 Q CB -0.324 28.400 28.738 -0.023 0.000 0.898 435 Q HN 0.517 nan 8.270 nan 0.000 0.424 436 I N -0.311 120.270 120.570 0.018 0.000 2.264 436 I HA -0.302 3.867 4.170 -0.001 0.000 0.248 436 I C 2.057 178.198 176.117 0.041 0.000 1.111 436 I CA 1.138 62.461 61.300 0.038 0.000 1.382 436 I CB -0.438 37.589 38.000 0.045 0.000 1.060 436 I HN 0.296 nan 8.210 nan 0.000 0.418 437 M N 0.148 119.765 119.600 0.028 0.000 2.175 437 M HA -0.150 4.329 4.480 -0.001 0.000 0.264 437 M C 1.848 178.167 176.300 0.031 0.000 1.063 437 M CA 1.452 56.769 55.300 0.028 0.000 1.119 437 M CB -0.693 31.917 32.600 0.017 0.000 1.377 437 M HN 0.227 nan 8.290 nan 0.000 0.415 438 N N 1.336 120.051 118.700 0.026 0.000 2.289 438 N HA -0.086 4.654 4.740 -0.001 0.000 0.184 438 N C 0.218 175.751 175.510 0.038 0.000 1.016 438 N CA 0.976 54.043 53.050 0.028 0.000 0.872 438 N CB -0.051 38.449 38.487 0.021 0.000 0.973 438 N HN 0.415 nan 8.380 nan 0.000 0.433 439 R N -0.037 120.489 120.500 0.044 0.000 3.301 439 R HA 0.337 4.676 4.340 -0.001 0.000 0.286 439 R C -0.572 175.774 176.300 0.077 0.000 1.386 439 R CA -0.190 55.948 56.100 0.064 0.000 1.607 439 R CB 0.603 30.942 30.300 0.065 0.000 1.305 439 R HN -0.176 nan 8.270 nan 0.000 0.637 440 S N 1.765 117.505 115.700 0.067 0.000 2.416 440 S HA 0.257 4.726 4.470 -0.001 0.000 0.287 440 S C -0.250 174.393 174.600 0.071 0.000 1.139 440 S CA -0.459 57.781 58.200 0.068 0.000 1.058 440 S CB 0.167 63.398 63.200 0.052 0.000 0.967 440 S HN 0.358 nan 8.310 nan 0.000 0.495 441 N N 3.515 122.265 118.700 0.084 0.000 2.335 441 N HA 0.435 5.174 4.740 -0.001 0.000 0.304 441 N C -1.976 173.573 175.510 0.066 0.000 1.135 441 N CA -2.029 51.065 53.050 0.074 0.000 0.817 441 N CB 1.402 39.942 38.487 0.088 0.000 1.294 441 N HN 0.109 nan 8.380 nan 0.000 0.497 442 P HA -0.072 nan 4.420 nan 0.000 0.215 442 P C 1.054 178.385 177.300 0.051 0.000 1.153 442 P CA 1.181 64.306 63.100 0.042 0.000 0.853 442 P CB 0.313 32.028 31.700 0.025 0.000 0.788 443 L N -1.666 119.584 121.223 0.044 0.000 2.201 443 L HA -0.097 4.243 4.340 -0.001 0.000 0.212 443 L C 2.554 179.489 176.870 0.109 0.000 1.105 443 L CA 1.292 56.160 54.840 0.046 0.000 0.775 443 L CB -1.420 40.642 42.059 0.005 0.000 0.913 443 L HN -0.066 nan 8.230 nan 0.000 0.440 444 L N -0.586 120.714 121.223 0.130 0.000 2.017 444 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 444 L C 2.512 179.503 176.870 0.201 0.000 1.073 444 L CA 1.442 56.402 54.840 0.199 0.000 0.745 444 L CB -0.128 42.030 42.059 0.166 0.000 0.894 444 L HN 0.261 nan 8.230 nan 0.000 0.432 445 L N -0.297 121.004 121.223 0.130 0.000 2.013 445 L HA -0.294 4.045 4.340 -0.001 0.000 0.212 445 L C 2.538 179.476 176.870 0.113 0.000 1.073 445 L CA 1.716 56.618 54.840 0.103 0.000 0.753 445 L CB -0.729 41.373 42.059 0.073 0.000 0.890 445 L HN 0.341 nan 8.230 nan 0.000 0.432 446 E N -0.265 120.005 120.200 0.116 0.000 2.033 446 E HA -0.290 4.060 4.350 -0.001 0.000 0.199 446 E C 2.076 178.779 176.600 0.172 0.000 1.011 446 E CA 1.773 58.241 56.400 0.113 0.000 0.815 446 E CB -0.362 29.382 29.700 0.073 0.000 0.755 446 E HN 0.367 nan 8.360 nan 0.000 0.451 447 F N 1.567 121.552 119.950 0.059 0.000 2.161 447 F HA -0.220 4.306 4.527 -0.001 0.000 0.300 447 F C 2.142 178.076 175.800 0.224 0.000 1.089 447 F CA 1.339 59.412 58.000 0.121 0.000 1.282 447 F CB -0.121 38.930 39.000 0.086 0.000 1.010 447 F HN -0.046 nan 8.300 nan 0.000 0.485 448 M N -0.203 119.422 119.600 0.041 0.000 2.084 448 M HA -0.284 4.195 4.480 -0.001 0.000 0.259 448 M C 2.351 178.656 176.300 0.009 0.000 1.072 448 M CA 2.001 57.281 55.300 -0.034 0.000 1.107 448 M CB -1.372 31.256 32.600 0.047 0.000 1.299 448 M HN 0.212 nan 8.290 nan 0.000 0.413 449 Q N -0.750 119.083 119.800 0.056 0.000 2.061 449 Q HA -0.233 4.106 4.340 -0.001 0.000 0.204 449 Q C 1.973 178.011 176.000 0.062 0.000 0.984 449 Q CA 2.080 57.919 55.803 0.060 0.000 0.846 449 Q CB -0.401 28.376 28.738 0.065 0.000 0.902 449 Q HN 0.491 nan 8.270 nan 0.000 0.421 450 Y N 0.322 120.585 120.300 -0.061 0.000 2.069 450 Y HA -0.370 4.180 4.550 -0.001 0.000 0.278 450 Y C 2.135 177.909 175.900 -0.210 0.000 1.175 450 Y CA 2.165 60.163 58.100 -0.169 0.000 1.134 450 Y CB -0.220 38.043 38.460 -0.328 0.000 0.965 450 Y HN 0.294 nan 8.280 nan 0.000 0.498 451 H N -1.164 117.907 119.070 0.002 0.000 2.457 451 H HA -0.121 4.434 4.556 -0.001 0.000 0.294 451 H C 2.149 177.471 175.328 -0.010 0.000 1.064 451 H CA 1.612 57.587 56.048 -0.121 0.000 1.330 451 H CB 0.028 29.555 29.762 -0.393 0.000 1.395 451 H HN 0.408 nan 8.280 nan 0.000 0.541 452 I N 1.068 121.705 120.570 0.112 0.000 2.400 452 I HA -0.155 4.014 4.170 -0.001 0.000 0.248 452 I C 1.675 177.825 176.117 0.055 0.000 1.109 452 I CA 0.925 62.295 61.300 0.117 0.000 1.425 452 I CB -0.139 37.904 38.000 0.072 0.000 1.094 452 I HN -0.008 nan 8.210 nan 0.000 0.425 453 D N -0.079 120.331 120.400 0.017 0.000 2.087 453 D HA -0.209 4.430 4.640 -0.001 0.000 0.192 453 D C 1.848 178.114 176.300 -0.056 0.000 0.993 453 D CA 1.697 55.690 54.000 -0.012 0.000 0.828 453 D CB -0.675 40.141 40.800 0.027 0.000 0.968 453 D HN 0.505 nan 8.370 nan 0.000 0.448 454 H N -0.640 118.245 119.070 -0.309 0.000 2.553 454 H HA 0.106 4.662 4.556 -0.001 0.000 0.269 454 H C 0.512 175.781 175.328 -0.099 0.000 1.011 454 H CA -0.515 55.372 56.048 -0.267 0.000 1.150 454 H CB -0.227 29.243 29.762 -0.487 0.000 1.339 454 H HN 0.092 nan 8.280 nan 0.000 0.604 455 C N 4.059 123.416 119.300 0.096 0.000 2.592 455 C HA 0.063 4.522 4.460 -0.001 0.000 0.408 455 C C -1.912 173.130 174.990 0.087 0.000 1.436 455 C CA -1.323 57.802 59.018 0.178 0.000 1.595 455 C CB -0.363 27.485 27.740 0.181 0.000 2.487 455 C HN 0.244 nan 8.230 nan 0.000 0.610 456 P HA 0.205 nan 4.420 nan 0.000 0.279 456 P C 0.603 177.810 177.300 -0.154 0.000 1.318 456 P CA 0.102 63.145 63.100 -0.094 0.000 0.819 456 P CB 0.735 32.310 31.700 -0.209 0.000 0.927 457 T N -0.837 113.664 114.554 -0.088 0.000 3.051 457 T HA -0.075 4.275 4.350 -0.001 0.000 0.255 457 T C 0.911 175.551 174.700 -0.100 0.000 1.085 457 T CA 0.227 62.300 62.100 -0.045 0.000 1.109 457 T CB -0.254 68.600 68.868 -0.025 0.000 0.921 457 T HN 0.354 nan 8.240 nan 0.000 0.488 458 E N 2.172 122.287 120.200 -0.142 0.000 2.705 458 E HA 0.115 4.465 4.350 -0.001 0.000 0.272 458 E C 0.722 177.209 176.600 -0.189 0.000 1.528 458 E CA -0.104 56.215 56.400 -0.134 0.000 1.750 458 E CB -0.136 29.495 29.700 -0.115 0.000 1.439 458 E HN 0.521 nan 8.360 nan 0.000 0.449 459 R N -0.715 119.647 120.500 -0.229 0.000 2.716 459 R HA 0.268 4.608 4.340 -0.001 0.000 0.186 459 R C 0.613 176.864 176.300 -0.083 0.000 0.830 459 R CA 0.595 56.539 56.100 -0.261 0.000 1.059 459 R CB 1.176 31.078 30.300 -0.662 0.000 1.531 459 R HN 0.253 nan 8.270 nan 0.000 0.633 460 G N 0.015 108.831 108.800 0.027 0.000 2.646 460 G HA2 0.211 4.170 3.960 -0.001 0.000 0.291 460 G HA3 0.211 4.170 3.960 -0.001 0.000 0.291 460 G C -0.409 174.541 174.900 0.083 0.000 1.445 460 G CA -0.554 44.605 45.100 0.098 0.000 0.814 460 G HN -0.015 nan 8.290 nan 0.000 0.495 461 E N -0.384 119.835 120.200 0.032 0.000 2.153 461 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 461 E C 2.580 179.174 176.600 -0.010 0.000 0.988 461 E CA 1.883 58.286 56.400 0.005 0.000 0.811 461 E CB -0.053 29.642 29.700 -0.008 0.000 0.746 461 E HN 0.606 nan 8.360 nan 0.000 0.466 462 T N -0.988 113.551 114.554 -0.025 0.000 2.777 462 T HA -0.200 4.149 4.350 -0.001 0.000 0.266 462 T C 1.794 176.390 174.700 -0.173 0.000 1.040 462 T CA 0.966 62.997 62.100 -0.116 0.000 1.141 462 T CB -0.638 68.119 68.868 -0.184 0.000 0.868 462 T HN 0.157 nan 8.240 nan 0.000 0.444 463 Y N 1.702 121.905 120.300 -0.161 0.000 2.224 463 Y HA -0.086 4.463 4.550 -0.001 0.000 0.289 463 Y C 3.053 178.854 175.900 -0.164 0.000 1.146 463 Y CA 1.519 59.506 58.100 -0.190 0.000 1.182 463 Y CB -0.456 37.922 38.460 -0.137 0.000 0.983 463 Y HN 0.238 nan 8.280 nan 0.000 0.524 464 Q N 0.089 119.913 119.800 0.039 0.000 1.990 464 Q HA -0.172 4.167 4.340 -0.001 0.000 0.200 464 Q C 2.181 178.150 176.000 -0.051 0.000 0.980 464 Q CA 1.451 57.248 55.803 -0.010 0.000 0.832 464 Q CB -0.645 28.088 28.738 -0.008 0.000 0.897 464 Q HN 0.408 nan 8.270 nan 0.000 0.427 465 L N 0.370 121.555 121.223 -0.062 0.000 2.137 465 L HA -0.186 4.154 4.340 -0.001 0.000 0.213 465 L C 1.875 178.680 176.870 -0.109 0.000 1.085 465 L CA 2.366 57.160 54.840 -0.076 0.000 0.760 465 L CB -1.227 40.787 42.059 -0.075 0.000 0.893 465 L HN 0.297 nan 8.230 nan 0.000 0.434 466 A N -0.250 122.469 122.820 -0.169 0.000 1.825 466 A HA -0.253 4.066 4.320 -0.001 0.000 0.214 466 A C 2.417 179.902 177.584 -0.166 0.000 1.206 466 A CA 1.789 53.680 52.037 -0.244 0.000 0.609 466 A CB -0.821 17.892 19.000 -0.479 0.000 0.851 466 A HN 0.481 nan 8.150 nan 0.000 0.445 467 K N -0.024 120.296 120.400 -0.134 0.000 2.144 467 K HA -0.281 4.039 4.320 -0.001 0.000 0.209 467 K C 2.000 178.574 176.600 -0.044 0.000 1.047 467 K CA 2.129 58.379 56.287 -0.062 0.000 0.927 467 K CB -0.182 32.300 32.500 -0.030 0.000 0.716 467 K HN 0.683 nan 8.250 nan 0.000 0.454 468 E N 0.500 120.670 120.200 -0.049 0.000 2.001 468 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 468 E C 2.067 178.646 176.600 -0.035 0.000 0.994 468 E CA 1.439 57.817 56.400 -0.037 0.000 0.815 468 E CB -0.205 29.473 29.700 -0.036 0.000 0.770 468 E HN 0.346 nan 8.360 nan 0.000 0.453 469 L N 0.643 121.839 121.223 -0.045 0.000 2.137 469 L HA -0.197 4.143 4.340 -0.001 0.000 0.213 469 L C 2.551 179.404 176.870 -0.029 0.000 1.085 469 L CA 1.237 56.054 54.840 -0.039 0.000 0.760 469 L CB -0.764 41.265 42.059 -0.050 0.000 0.893 469 L HN 0.388 nan 8.230 nan 0.000 0.434 470 G N -0.808 107.971 108.800 -0.034 0.000 2.484 470 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.215 470 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.215 470 G C 1.463 176.363 174.900 0.001 0.000 1.219 470 G CA 0.728 45.822 45.100 -0.011 0.000 0.791 470 G HN 0.265 nan 8.290 nan 0.000 0.550 471 Q N 0.221 120.019 119.800 -0.002 0.000 2.135 471 Q HA -0.134 4.206 4.340 -0.001 0.000 0.204 471 Q C 2.505 178.506 176.000 0.001 0.000 0.981 471 Q CA 2.098 57.902 55.803 0.002 0.000 0.856 471 Q CB -0.558 28.178 28.738 -0.003 0.000 0.902 471 Q HN 0.693 nan 8.270 nan 0.000 0.425 472 Q N -0.625 119.172 119.800 -0.005 0.000 2.045 472 Q HA -0.226 4.114 4.340 -0.001 0.000 0.206 472 Q C 1.998 177.999 176.000 0.001 0.000 0.991 472 Q CA 1.940 57.740 55.803 -0.004 0.000 0.851 472 Q CB -0.363 28.369 28.738 -0.010 0.000 0.911 472 Q HN 0.478 nan 8.270 nan 0.000 0.418 473 L N 0.807 122.032 121.223 0.002 0.000 2.046 473 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 473 L C 2.244 179.124 176.870 0.017 0.000 1.077 473 L CA 1.541 56.387 54.840 0.009 0.000 0.747 473 L CB -0.429 41.636 42.059 0.010 0.000 0.896 473 L HN 0.333 nan 8.230 nan 0.000 0.432 474 I N -0.543 120.038 120.570 0.020 0.000 2.264 474 I HA -0.255 3.914 4.170 -0.001 0.000 0.248 474 I C 2.358 178.490 176.117 0.024 0.000 1.111 474 I CA 1.052 62.368 61.300 0.027 0.000 1.382 474 I CB -0.558 37.459 38.000 0.028 0.000 1.060 474 I HN 0.345 nan 8.210 nan 0.000 0.418 475 E N 0.811 121.021 120.200 0.017 0.000 2.046 475 E HA -0.143 4.206 4.350 -0.001 0.000 0.190 475 E C 1.890 178.499 176.600 0.014 0.000 0.982 475 E CA 0.847 57.256 56.400 0.014 0.000 0.800 475 E CB -0.495 29.210 29.700 0.009 0.000 0.756 475 E HN 0.467 nan 8.360 nan 0.000 0.449 476 N N 1.120 119.828 118.700 0.012 0.000 2.011 476 N HA -0.172 4.567 4.740 -0.001 0.000 0.199 476 N C 2.070 177.590 175.510 0.016 0.000 1.047 476 N CA 1.625 54.682 53.050 0.011 0.000 0.863 476 N CB -0.896 37.595 38.487 0.008 0.000 1.056 476 N HN 0.195 nan 8.380 nan 0.000 0.427 477 C N 1.185 120.499 119.300 0.022 0.000 2.403 477 C HA -0.079 4.380 4.460 -0.001 0.000 0.279 477 C C 2.422 177.430 174.990 0.030 0.000 1.269 477 C CA 0.317 59.353 59.018 0.030 0.000 1.774 477 C CB -0.864 26.900 27.740 0.040 0.000 1.993 477 C HN 0.484 nan 8.230 nan 0.000 0.496 478 K N 1.130 121.546 120.400 0.026 0.000 2.057 478 K HA -0.159 4.161 4.320 -0.001 0.000 0.206 478 K C 1.840 178.453 176.600 0.021 0.000 1.050 478 K CA 1.635 57.937 56.287 0.025 0.000 0.935 478 K CB -0.296 32.217 32.500 0.022 0.000 0.715 478 K HN 0.752 nan 8.250 nan 0.000 0.439 479 E N 0.551 120.762 120.200 0.017 0.000 2.476 479 E HA -0.018 4.332 4.350 -0.001 0.000 0.191 479 E C 0.961 177.569 176.600 0.014 0.000 1.064 479 E CA 0.296 56.704 56.400 0.014 0.000 0.866 479 E CB 0.340 30.046 29.700 0.010 0.000 0.952 479 E HN -0.001 nan 8.360 nan 0.000 0.492 480 V N 0.557 120.482 119.914 0.018 0.000 3.635 480 V HA 0.106 4.225 4.120 -0.001 0.000 0.266 480 V C 0.998 177.106 176.094 0.023 0.000 1.316 480 V CA -0.287 62.023 62.300 0.018 0.000 1.060 480 V CB -0.065 31.769 31.823 0.019 0.000 0.820 480 V HN 0.258 nan 8.190 nan 0.000 0.447 481 L N 2.506 123.745 121.223 0.026 0.000 2.700 481 L HA 0.219 4.558 4.340 -0.001 0.000 0.276 481 L C 1.560 178.446 176.870 0.026 0.000 1.200 481 L CA 1.552 56.409 54.840 0.029 0.000 0.951 481 L CB -0.480 41.596 42.059 0.029 0.000 1.226 481 L HN 0.501 nan 8.230 nan 0.000 0.489 482 G N 2.527 111.344 108.800 0.029 0.000 2.454 482 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.225 482 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.225 482 G C 0.398 175.312 174.900 0.024 0.000 1.138 482 G CA -0.241 44.874 45.100 0.026 0.000 0.667 482 G HN 0.536 nan 8.290 nan 0.000 0.512 483 K N 2.454 122.867 120.400 0.021 0.000 2.436 483 K HA 0.350 4.669 4.320 -0.001 0.000 0.282 483 K C -2.252 174.359 176.600 0.018 0.000 1.044 483 K CA -1.122 55.175 56.287 0.017 0.000 1.028 483 K CB 0.456 32.963 32.500 0.013 0.000 0.919 483 K HN 0.153 nan 8.250 nan 0.000 0.474 484 P HA -0.103 nan 4.420 nan 0.000 0.261 484 P C -2.405 174.906 177.300 0.017 0.000 1.158 484 P CA -0.434 62.676 63.100 0.018 0.000 0.758 484 P CB -0.182 31.523 31.700 0.008 0.000 0.763 485 P HA 0.171 nan 4.420 nan 0.000 0.274 485 P C -0.672 176.648 177.300 0.034 0.000 1.231 485 P CA 0.129 63.250 63.100 0.034 0.000 0.790 485 P CB 0.647 32.377 31.700 0.049 0.000 0.951 486 V N 2.747 122.681 119.914 0.034 0.000 2.789 486 V HA 0.246 4.366 4.120 -0.001 0.000 0.311 486 V C -1.115 175.032 176.094 0.089 0.000 1.073 486 V CA -0.788 61.531 62.300 0.033 0.000 0.921 486 V CB 1.866 33.678 31.823 -0.018 0.000 1.009 486 V HN 0.411 nan 8.190 nan 0.000 0.426 487 Y N 5.492 125.795 120.300 0.005 0.000 2.486 487 Y HA 0.511 5.060 4.550 -0.001 0.000 0.348 487 Y C -0.096 175.793 175.900 -0.018 0.000 1.000 487 Y CA -0.451 57.664 58.100 0.025 0.000 1.253 487 Y CB 0.335 38.871 38.460 0.128 0.000 1.140 487 Y HN 0.567 nan 8.280 nan 0.000 0.526 488 K N 5.835 126.035 120.400 -0.334 0.000 2.502 488 K HA 0.191 4.510 4.320 -0.001 0.000 0.254 488 K C -1.562 174.719 176.600 -0.532 0.000 0.947 488 K CA -0.714 55.258 56.287 -0.525 0.000 0.834 488 K CB 0.868 33.209 32.500 -0.264 0.000 1.112 488 K HN 0.673 nan 8.250 nan 0.000 0.427 489 D N 3.436 123.331 120.400 -0.841 0.000 2.317 489 D HA 0.122 4.762 4.640 -0.001 0.000 0.252 489 D C 0.311 176.187 176.300 -0.706 0.000 1.174 489 D CA -0.094 53.414 54.000 -0.821 0.000 0.866 489 D CB 1.561 41.518 40.800 -1.405 0.000 1.127 489 D HN 0.261 nan 8.370 nan 0.000 0.467 490 V N 2.334 122.011 119.914 -0.394 0.000 3.477 490 V HA 0.014 4.133 4.120 -0.001 0.000 0.297 490 V C 0.989 177.043 176.094 -0.068 0.000 1.433 490 V CA -0.139 62.050 62.300 -0.185 0.000 1.052 490 V CB -0.091 31.658 31.823 -0.122 0.000 0.895 490 V HN 0.541 nan 8.190 nan 0.000 0.438 491 S N 0.685 116.344 115.700 -0.069 0.000 2.606 491 S HA 0.446 4.915 4.470 -0.001 0.000 0.257 491 S C -0.063 174.639 174.600 0.170 0.000 1.327 491 S CA -0.248 57.990 58.200 0.064 0.000 0.984 491 S CB 0.811 64.062 63.200 0.086 0.000 0.941 491 S HN 0.240 nan 8.310 nan 0.000 0.576 492 I N 2.135 122.759 120.570 0.090 0.000 2.322 492 I HA 0.268 4.438 4.170 -0.001 0.000 0.292 492 I C -2.290 173.831 176.117 0.007 0.000 1.060 492 I CA -2.273 59.050 61.300 0.039 0.000 1.309 492 I CB 0.561 38.556 38.000 -0.008 0.000 1.415 492 I HN 0.393 nan 8.210 nan 0.000 0.492 493 P HA -0.010 nan 4.420 nan 0.000 0.262 493 P C -0.290 176.924 177.300 -0.144 0.000 1.182 493 P CA 0.244 63.203 63.100 -0.235 0.000 0.761 493 P CB 0.554 32.031 31.700 -0.370 0.000 0.795 494 T N 1.482 115.960 114.554 -0.127 0.000 2.907 494 T HA 0.756 5.105 4.350 -0.001 0.000 0.292 494 T C -0.192 174.451 174.700 -0.094 0.000 1.043 494 T CA -0.620 61.425 62.100 -0.091 0.000 1.003 494 T CB 1.201 70.033 68.868 -0.060 0.000 1.084 494 T HN 0.336 nan 8.240 nan 0.000 0.483 495 G N 2.115 110.861 108.800 -0.089 0.000 2.816 495 G HA2 0.778 4.737 3.960 -0.001 0.000 0.288 495 G HA3 0.778 4.737 3.960 -0.001 0.000 0.288 495 G C -3.162 171.699 174.900 -0.065 0.000 1.334 495 G CA -1.710 43.340 45.100 -0.083 0.000 0.978 495 G HN 0.629 nan 8.290 nan 0.000 0.493 496 P HA 0.300 nan 4.420 nan 0.000 0.292 496 P C -1.093 176.214 177.300 0.012 0.000 1.287 496 P CA -0.283 62.870 63.100 0.088 0.000 0.800 496 P CB 1.562 33.362 31.700 0.167 0.000 0.945 497 Q N 2.091 121.836 119.800 -0.091 0.000 2.695 497 Q HA 0.268 4.607 4.340 -0.001 0.000 0.246 497 Q C -0.896 175.112 176.000 0.013 0.000 0.961 497 Q CA -0.361 55.411 55.803 -0.051 0.000 0.708 497 Q CB 1.052 29.728 28.738 -0.103 0.000 1.282 497 Q HN 0.511 nan 8.270 nan 0.000 0.482 498 T N 0.194 114.836 114.554 0.147 0.000 2.780 498 T HA 0.508 4.857 4.350 -0.001 0.000 0.294 498 T C 0.147 174.900 174.700 0.088 0.000 0.949 498 T CA -0.354 61.855 62.100 0.181 0.000 1.074 498 T CB 1.356 70.346 68.868 0.203 0.000 0.910 498 T HN 0.465 nan 8.240 nan 0.000 0.501 499 T N 1.902 116.501 114.554 0.074 0.000 2.861 499 T HA 0.639 4.988 4.350 -0.001 0.000 0.287 499 T C -0.535 174.193 174.700 0.046 0.000 1.003 499 T CA -0.996 61.130 62.100 0.044 0.000 0.977 499 T CB 0.888 69.770 68.868 0.023 0.000 0.996 499 T HN 0.694 nan 8.240 nan 0.000 0.448 500 I N 3.110 123.702 120.570 0.037 0.000 2.339 500 I HA 0.291 4.460 4.170 -0.001 0.000 0.290 500 I C 0.301 176.434 176.117 0.027 0.000 0.994 500 I CA -0.761 60.560 61.300 0.034 0.000 1.191 500 I CB 1.536 39.556 38.000 0.033 0.000 1.343 500 I HN 0.775 nan 8.210 nan 0.000 0.458 501 D N 4.130 124.546 120.400 0.026 0.000 2.364 501 D HA 0.054 4.693 4.640 -0.001 0.000 0.236 501 D C 1.064 177.376 176.300 0.020 0.000 1.221 501 D CA 0.435 54.448 54.000 0.022 0.000 0.891 501 D CB 1.206 42.020 40.800 0.022 0.000 1.190 501 D HN 0.626 nan 8.370 nan 0.000 0.449 502 A N 2.538 125.369 122.820 0.017 0.000 2.015 502 A HA -0.091 4.228 4.320 -0.001 0.000 0.219 502 A C 1.774 179.368 177.584 0.017 0.000 1.163 502 A CA 1.064 53.111 52.037 0.016 0.000 0.646 502 A CB -0.104 18.905 19.000 0.015 0.000 0.806 502 A HN 0.543 nan 8.150 nan 0.000 0.448 503 R N -1.290 119.221 120.500 0.018 0.000 2.568 503 R HA 0.261 4.600 4.340 -0.001 0.000 0.288 503 R C 1.150 177.462 176.300 0.020 0.000 1.077 503 R CA 0.480 56.591 56.100 0.019 0.000 1.102 503 R CB -0.094 30.218 30.300 0.020 0.000 1.278 503 R HN 0.638 nan 8.270 nan 0.000 0.560 504 G N 0.603 109.415 108.800 0.021 0.000 2.253 504 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.251 504 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.251 504 G C 0.081 174.996 174.900 0.025 0.000 0.998 504 G CA -0.342 44.771 45.100 0.022 0.000 0.621 504 G HN 0.366 nan 8.290 nan 0.000 0.524 505 N N 1.007 119.723 118.700 0.026 0.000 2.454 505 N HA 0.248 4.987 4.740 -0.001 0.000 0.260 505 N C 0.476 176.007 175.510 0.034 0.000 1.218 505 N CA 0.572 53.639 53.050 0.029 0.000 0.904 505 N CB 0.586 39.089 38.487 0.027 0.000 1.065 505 N HN 0.422 nan 8.380 nan 0.000 0.462 506 I N 2.236 122.830 120.570 0.039 0.000 2.331 506 I HA 0.179 4.348 4.170 -0.001 0.000 0.292 506 I C 0.517 176.671 176.117 0.062 0.000 0.998 506 I CA -0.248 61.083 61.300 0.050 0.000 1.267 506 I CB 0.933 38.964 38.000 0.050 0.000 1.386 506 I HN 0.233 nan 8.210 nan 0.000 0.476 507 Q N 4.912 124.757 119.800 0.075 0.000 2.421 507 Q HA 0.437 4.776 4.340 -0.001 0.000 0.280 507 Q C -1.766 174.323 176.000 0.149 0.000 1.085 507 Q CA -0.933 54.926 55.803 0.093 0.000 0.807 507 Q CB 3.640 32.411 28.738 0.055 0.000 1.405 507 Q HN 0.578 nan 8.270 nan 0.000 0.419 508 Y N 1.060 121.371 120.300 0.018 0.000 2.331 508 Y HA 0.358 4.908 4.550 -0.001 0.000 0.326 508 Y C -1.163 174.745 175.900 0.014 0.000 1.020 508 Y CA -0.232 57.879 58.100 0.018 0.000 1.136 508 Y CB 1.414 39.891 38.460 0.028 0.000 1.157 508 Y HN 0.567 nan 8.280 nan 0.000 0.444 509 Q N 3.263 122.754 119.800 -0.516 0.000 2.286 509 Q HA 0.447 4.786 4.340 -0.001 0.000 0.250 509 Q C -1.080 174.482 176.000 -0.729 0.000 1.021 509 Q CA -1.257 54.259 55.803 -0.477 0.000 0.930 509 Q CB 1.912 30.513 28.738 -0.228 0.000 1.266 509 Q HN 0.631 nan 8.270 nan 0.000 0.491 510 E N 1.146 121.106 120.200 -0.400 0.000 2.145 510 E HA 0.316 4.665 4.350 -0.001 0.000 0.262 510 E C -1.261 175.240 176.600 -0.166 0.000 0.883 510 E CA -0.308 55.924 56.400 -0.281 0.000 0.748 510 E CB 1.756 31.359 29.700 -0.162 0.000 1.140 510 E HN 0.231 nan 8.360 nan 0.000 0.417 511 V N 3.979 123.805 119.914 -0.146 0.000 2.617 511 V HA 0.290 4.409 4.120 -0.001 0.000 0.298 511 V C -2.171 173.872 176.094 -0.085 0.000 1.048 511 V CA -2.278 59.961 62.300 -0.102 0.000 0.964 511 V CB 1.195 32.964 31.823 -0.091 0.000 1.004 511 V HN 0.531 nan 8.190 nan 0.000 0.466 512 P HA 0.119 nan 4.420 nan 0.000 0.266 512 P C -0.255 177.001 177.300 -0.073 0.000 1.195 512 P CA -0.063 62.996 63.100 -0.069 0.000 0.768 512 P CB 0.331 31.994 31.700 -0.061 0.000 0.838 513 R N 2.465 122.916 120.500 -0.081 0.000 2.522 513 R HA 0.113 4.453 4.340 -0.001 0.000 0.284 513 R C 1.324 177.582 176.300 -0.069 0.000 1.032 513 R CA 0.066 56.120 56.100 -0.077 0.000 1.049 513 R CB 0.258 30.508 30.300 -0.083 0.000 0.956 513 R HN 0.514 nan 8.270 nan 0.000 0.422 514 A N 2.079 124.866 122.820 -0.056 0.000 2.121 514 A HA -0.110 4.209 4.320 -0.001 0.000 0.218 514 A C 1.406 178.961 177.584 -0.048 0.000 1.154 514 A CA 1.473 53.481 52.037 -0.048 0.000 0.679 514 A CB 0.052 19.031 19.000 -0.036 0.000 0.795 514 A HN 0.733 nan 8.150 nan 0.000 0.458 515 S N -2.269 113.405 115.700 -0.044 0.000 2.701 515 S HA 0.658 5.127 4.470 -0.001 0.000 0.242 515 S C 0.275 174.855 174.600 -0.034 0.000 1.025 515 S CA 0.252 58.437 58.200 -0.025 0.000 1.016 515 S CB 0.222 63.426 63.200 0.007 0.000 0.977 515 S HN 0.968 nan 8.310 nan 0.000 0.546 516 A N 1.166 123.933 122.820 -0.088 0.000 2.374 516 A HA 0.822 5.142 4.320 -0.001 0.000 0.305 516 A C 0.504 177.951 177.584 -0.230 0.000 1.053 516 A CA -0.711 51.245 52.037 -0.134 0.000 0.726 516 A CB 1.429 20.425 19.000 -0.007 0.000 1.229 516 A HN 0.068 nan 8.150 nan 0.000 0.431 517 R N 0.906 121.153 120.500 -0.420 0.000 2.125 517 R HA 0.260 4.600 4.340 -0.001 0.000 0.195 517 R C 0.353 176.601 176.300 -0.086 0.000 1.138 517 R CA 0.790 56.734 56.100 -0.260 0.000 1.123 517 R CB -0.117 29.992 30.300 -0.318 0.000 1.049 517 R HN 0.720 nan 8.270 nan 0.000 0.503 518 K N -0.223 120.185 120.400 0.013 0.000 2.419 518 K HA 0.272 4.591 4.320 -0.001 0.000 0.246 518 K C 0.998 177.744 176.600 0.243 0.000 1.037 518 K CA -0.474 55.923 56.287 0.184 0.000 0.982 518 K CB 0.567 33.200 32.500 0.221 0.000 1.283 518 K HN -0.104 nan 8.250 nan 0.000 0.500 519 F N 1.433 121.407 119.950 0.039 0.000 2.615 519 F HA -0.044 4.483 4.527 -0.001 0.000 0.297 519 F C 1.935 177.841 175.800 0.176 0.000 1.124 519 F CA 0.738 58.776 58.000 0.063 0.000 1.451 519 F CB 0.342 39.206 39.000 -0.228 0.000 1.103 519 F HN 0.600 nan 8.300 nan 0.000 0.569 520 E N -0.655 119.700 120.200 0.258 0.000 2.077 520 E HA -0.250 4.099 4.350 -0.001 0.000 0.193 520 E C 1.585 178.238 176.600 0.089 0.000 0.989 520 E CA 1.655 58.142 56.400 0.145 0.000 0.800 520 E CB -0.472 29.265 29.700 0.061 0.000 0.746 520 E HN 0.534 nan 8.360 nan 0.000 0.452 521 H N -0.602 118.516 119.070 0.080 0.000 2.387 521 H HA -0.167 4.388 4.556 -0.001 0.000 0.299 521 H C 1.803 177.167 175.328 0.060 0.000 1.099 521 H CA 1.839 57.917 56.048 0.051 0.000 1.315 521 H CB -0.242 29.539 29.762 0.032 0.000 1.380 521 H HN 0.247 nan 8.280 nan 0.000 0.513 522 Y N 0.805 121.134 120.300 0.049 0.000 2.109 522 Y HA -0.239 4.311 4.550 -0.001 0.000 0.285 522 Y C 2.369 178.310 175.900 0.069 0.000 1.131 522 Y CA 1.300 59.377 58.100 -0.039 0.000 1.121 522 Y CB -0.830 37.456 38.460 -0.290 0.000 0.987 522 Y HN -0.023 nan 8.280 nan 0.000 0.495 523 V N 1.432 121.316 119.914 -0.050 0.000 2.231 523 V HA -0.427 3.693 4.120 -0.001 0.000 0.250 523 V C 2.388 178.410 176.094 -0.120 0.000 1.058 523 V CA 2.650 64.877 62.300 -0.121 0.000 1.022 523 V CB -0.791 31.083 31.823 0.085 0.000 0.640 523 V HN 0.410 nan 8.190 nan 0.000 0.445 524 K N -0.549 119.824 120.400 -0.045 0.000 1.987 524 K HA -0.280 4.040 4.320 -0.001 0.000 0.216 524 K C 2.279 178.868 176.600 -0.019 0.000 1.051 524 K CA 2.075 58.343 56.287 -0.032 0.000 0.942 524 K CB -0.403 32.072 32.500 -0.041 0.000 0.722 524 K HN 0.501 nan 8.250 nan 0.000 0.444 525 Q N -0.216 119.581 119.800 -0.006 0.000 2.173 525 Q HA -0.213 4.126 4.340 -0.001 0.000 0.208 525 Q C 2.195 178.236 176.000 0.069 0.000 0.989 525 Q CA 1.419 57.243 55.803 0.036 0.000 0.872 525 Q CB -0.079 28.691 28.738 0.052 0.000 0.909 525 Q HN 0.332 nan 8.270 nan 0.000 0.420 526 M N -0.371 119.209 119.600 -0.033 0.000 2.062 526 M HA -0.093 4.386 4.480 -0.001 0.000 0.259 526 M C 2.378 178.759 176.300 0.135 0.000 1.076 526 M CA 1.576 56.922 55.300 0.077 0.000 1.122 526 M CB -1.516 30.982 32.600 -0.170 0.000 1.312 526 M HN 0.192 nan 8.290 nan 0.000 0.412 527 A N -0.011 122.826 122.820 0.029 0.000 2.032 527 A HA -0.208 4.112 4.320 -0.001 0.000 0.221 527 A C 2.061 179.668 177.584 0.038 0.000 1.165 527 A CA 1.864 53.922 52.037 0.036 0.000 0.645 527 A CB -0.828 18.176 19.000 0.006 0.000 0.807 527 A HN 0.621 nan 8.150 nan 0.000 0.453 528 E N -0.990 119.231 120.200 0.035 0.000 2.021 528 E HA 0.143 4.493 4.350 -0.001 0.000 0.200 528 E C 1.276 177.866 176.600 -0.017 0.000 1.015 528 E CA 0.925 57.339 56.400 0.023 0.000 0.824 528 E CB -0.235 29.489 29.700 0.040 0.000 0.762 528 E HN 0.789 nan 8.360 nan 0.000 0.454 529 G N -1.043 107.714 108.800 -0.071 0.000 2.318 529 G HA2 0.252 4.211 3.960 -0.001 0.000 0.367 529 G HA3 0.252 4.211 3.960 -0.001 0.000 0.367 529 G C -0.629 174.067 174.900 -0.339 0.000 1.260 529 G CA -0.657 44.241 45.100 -0.336 0.000 1.055 529 G HN 0.597 nan 8.290 nan 0.000 0.484 530 G N -1.358 107.189 108.800 -0.422 0.000 2.704 530 G HA2 0.734 4.693 3.960 -0.001 0.000 0.293 530 G HA3 0.734 4.693 3.960 -0.001 0.000 0.293 530 G C -1.753 173.070 174.900 -0.129 0.000 1.421 530 G CA -0.042 44.976 45.100 -0.136 0.000 0.870 530 G HN 0.511 nan 8.290 nan 0.000 0.492 531 P HA -0.109 nan 4.420 nan 0.000 0.215 531 P C 1.994 179.223 177.300 -0.118 0.000 1.157 531 P CA 0.425 63.489 63.100 -0.061 0.000 0.874 531 P CB 0.288 31.978 31.700 -0.017 0.000 0.790 532 I N -0.924 119.589 120.570 -0.095 0.000 2.335 532 I HA -0.182 3.988 4.170 -0.001 0.000 0.251 532 I C 1.634 177.425 176.117 -0.543 0.000 1.129 532 I CA 1.531 62.735 61.300 -0.160 0.000 1.402 532 I CB -0.454 37.559 38.000 0.022 0.000 1.069 532 I HN -0.150 nan 8.210 nan 0.000 0.424 533 S N 0.570 115.932 115.700 -0.562 0.000 2.768 533 S HA 0.145 4.615 4.470 -0.001 0.000 0.246 533 S C 0.641 174.962 174.600 -0.466 0.000 1.006 533 S CA -0.455 57.217 58.200 -0.879 0.000 1.075 533 S CB -0.691 62.239 63.200 -0.449 0.000 0.786 533 S HN 0.411 nan 8.310 nan 0.000 0.468 534 Q N 0.665 120.259 119.800 -0.344 0.000 2.450 534 Q HA 0.008 4.347 4.340 -0.001 0.000 0.294 534 Q C -0.404 175.576 176.000 -0.033 0.000 1.129 534 Q CA 0.573 56.304 55.803 -0.119 0.000 0.970 534 Q CB 0.276 28.956 28.738 -0.096 0.000 1.294 534 Q HN 0.478 nan 8.270 nan 0.000 0.453 535 Y N 0.012 120.249 120.300 -0.106 0.000 2.335 535 Y HA 0.015 4.564 4.550 -0.001 0.000 0.348 535 Y C 0.658 176.536 175.900 -0.036 0.000 1.280 535 Y CA 0.190 58.257 58.100 -0.056 0.000 1.504 535 Y CB 0.786 39.215 38.460 -0.051 0.000 1.366 535 Y HN 0.532 nan 8.280 nan 0.000 0.621 536 S N 1.196 116.944 115.700 0.080 0.000 2.608 536 S HA 0.260 4.729 4.470 -0.001 0.000 0.291 536 S C 0.805 175.453 174.600 0.080 0.000 1.146 536 S CA -0.876 57.363 58.200 0.064 0.000 1.043 536 S CB 0.639 63.864 63.200 0.042 0.000 1.037 536 S HN 0.682 nan 8.310 nan 0.000 0.520 537 N N 3.204 121.937 118.700 0.056 0.000 2.037 537 N HA -0.201 4.538 4.740 -0.001 0.000 0.196 537 N C 1.777 177.310 175.510 0.039 0.000 1.034 537 N CA 1.836 54.913 53.050 0.044 0.000 0.861 537 N CB -0.754 37.749 38.487 0.028 0.000 1.039 537 N HN 0.795 nan 8.380 nan 0.000 0.427 538 R N 0.826 121.339 120.500 0.021 0.000 2.081 538 R HA -0.092 4.247 4.340 -0.001 0.000 0.235 538 R C 2.174 178.480 176.300 0.010 0.000 1.131 538 R CA 1.991 58.093 56.100 0.003 0.000 0.960 538 R CB -0.478 29.811 30.300 -0.019 0.000 0.856 538 R HN 0.435 nan 8.270 nan 0.000 0.436 539 T N -1.424 113.136 114.554 0.009 0.000 2.881 539 T HA -0.066 4.283 4.350 -0.001 0.000 0.270 539 T C 1.774 176.543 174.700 0.115 0.000 1.068 539 T CA 1.093 63.180 62.100 -0.021 0.000 1.131 539 T CB -0.114 68.638 68.868 -0.192 0.000 0.871 539 T HN 0.250 nan 8.240 nan 0.000 0.479 540 K N 0.468 120.983 120.400 0.192 0.000 2.044 540 K HA 0.076 4.395 4.320 -0.001 0.000 0.204 540 K C 2.369 179.015 176.600 0.076 0.000 1.049 540 K CA 1.036 57.424 56.287 0.169 0.000 0.945 540 K CB -0.373 32.193 32.500 0.110 0.000 0.724 540 K HN 0.241 nan 8.250 nan 0.000 0.440 541 V N 2.005 121.952 119.914 0.055 0.000 2.453 541 V HA -0.288 3.831 4.120 -0.001 0.000 0.252 541 V C 2.199 178.324 176.094 0.052 0.000 1.068 541 V CA 1.739 64.064 62.300 0.042 0.000 1.070 541 V CB -0.507 31.330 31.823 0.024 0.000 0.664 541 V HN 0.375 nan 8.190 nan 0.000 0.461 542 Q N -0.220 119.605 119.800 0.041 0.000 1.984 542 Q HA -0.097 4.242 4.340 -0.001 0.000 0.196 542 Q C 2.192 178.231 176.000 0.065 0.000 0.975 542 Q CA 1.316 57.143 55.803 0.039 0.000 0.827 542 Q CB -0.273 28.462 28.738 -0.005 0.000 0.894 542 Q HN 0.564 nan 8.270 nan 0.000 0.438 543 N N 1.015 119.745 118.700 0.051 0.000 2.430 543 N HA -0.132 4.607 4.740 -0.001 0.000 0.186 543 N C 0.824 176.362 175.510 0.047 0.000 1.032 543 N CA 1.119 54.196 53.050 0.045 0.000 0.893 543 N CB -0.117 38.401 38.487 0.051 0.000 0.957 543 N HN 0.248 nan 8.380 nan 0.000 0.442 544 D N 0.592 121.024 120.400 0.053 0.000 2.107 544 D HA 0.033 4.672 4.640 -0.001 0.000 0.204 544 D C 2.177 178.525 176.300 0.080 0.000 0.978 544 D CA 0.402 54.429 54.000 0.045 0.000 0.852 544 D CB -0.477 40.344 40.800 0.034 0.000 1.008 544 D HN 0.109 nan 8.370 nan 0.000 0.458 545 L N 0.716 122.017 121.223 0.129 0.000 2.137 545 L HA -0.217 4.123 4.340 -0.001 0.000 0.213 545 L C 2.548 179.523 176.870 0.174 0.000 1.085 545 L CA 1.019 55.985 54.840 0.210 0.000 0.760 545 L CB -0.354 41.921 42.059 0.359 0.000 0.893 545 L HN 0.020 nan 8.230 nan 0.000 0.434 546 R N 0.298 120.897 120.500 0.164 0.000 2.113 546 R HA -0.174 4.165 4.340 -0.001 0.000 0.231 546 R C 2.484 178.840 176.300 0.093 0.000 1.129 546 R CA 2.207 58.381 56.100 0.124 0.000 0.915 546 R CB -0.986 29.367 30.300 0.089 0.000 0.837 546 R HN 0.486 nan 8.270 nan 0.000 0.430 547 S N 0.411 116.150 115.700 0.065 0.000 2.447 547 S HA -0.053 4.416 4.470 -0.001 0.000 0.233 547 S C 2.222 176.834 174.600 0.020 0.000 1.006 547 S CA 1.013 59.238 58.200 0.041 0.000 0.957 547 S CB -0.434 62.775 63.200 0.015 0.000 0.773 547 S HN 0.049 nan 8.310 nan 0.000 0.507 548 V N 0.918 120.851 119.914 0.033 0.000 2.343 548 V HA -0.200 3.919 4.120 -0.001 0.000 0.247 548 V C 2.118 178.186 176.094 -0.043 0.000 1.051 548 V CA 1.988 64.285 62.300 -0.004 0.000 1.036 548 V CB -0.904 30.963 31.823 0.073 0.000 0.654 548 V HN 0.598 nan 8.190 nan 0.000 0.451 549 Y N 1.320 121.584 120.300 -0.060 0.000 2.133 549 Y HA -0.229 4.320 4.550 -0.001 0.000 0.287 549 Y C 2.549 178.398 175.900 -0.084 0.000 1.134 549 Y CA 1.902 59.989 58.100 -0.021 0.000 1.133 549 Y CB -0.158 38.148 38.460 -0.257 0.000 0.987 549 Y HN 0.118 nan 8.280 nan 0.000 0.502 550 K N 0.159 120.667 120.400 0.179 0.000 2.281 550 K HA -0.196 4.124 4.320 -0.001 0.000 0.203 550 K C 1.971 178.524 176.600 -0.078 0.000 1.046 550 K CA 1.369 57.710 56.287 0.089 0.000 0.938 550 K CB -0.175 32.381 32.500 0.093 0.000 0.737 550 K HN 0.420 nan 8.250 nan 0.000 0.458 551 L N 0.466 121.609 121.223 -0.132 0.000 2.056 551 L HA -0.075 4.264 4.340 -0.001 0.000 0.202 551 L C 2.210 178.909 176.870 -0.285 0.000 1.086 551 L CA 0.903 55.637 54.840 -0.177 0.000 0.758 551 L CB -0.168 41.797 42.059 -0.156 0.000 0.912 551 L HN 0.105 nan 8.230 nan 0.000 0.446 552 I N -0.210 120.120 120.570 -0.400 0.000 2.236 552 I HA -0.361 3.808 4.170 -0.001 0.000 0.249 552 I C 2.677 178.477 176.117 -0.528 0.000 1.102 552 I CA 1.061 62.045 61.300 -0.527 0.000 1.365 552 I CB -0.331 37.133 38.000 -0.892 0.000 1.051 552 I HN 0.309 nan 8.210 nan 0.000 0.420 553 R N 1.838 121.990 120.500 -0.579 0.000 2.065 553 R HA -0.007 4.332 4.340 -0.001 0.000 0.224 553 R C 1.399 177.345 176.300 -0.590 0.000 1.161 553 R CA 1.500 57.255 56.100 -0.576 0.000 0.923 553 R CB -0.422 29.539 30.300 -0.565 0.000 0.822 553 R HN 0.136 nan 8.270 nan 0.000 0.437 554 R N 1.279 121.564 120.500 -0.358 0.000 4.624 554 R HA 0.073 4.413 4.340 -0.001 0.000 0.214 554 R C -0.332 175.809 176.300 -0.265 0.000 2.026 554 R CA 0.317 56.258 56.100 -0.266 0.000 1.676 554 R CB -0.230 30.017 30.300 -0.089 0.000 1.291 554 R HN 0.364 nan 8.270 nan 0.000 0.739 555 Q N 0.270 119.819 119.800 -0.418 0.000 4.082 555 Q HA 0.095 4.435 4.340 -0.001 0.000 0.180 555 Q C -1.308 174.533 176.000 -0.266 0.000 0.863 555 Q CA -0.275 55.376 55.803 -0.252 0.000 0.772 555 Q CB 0.898 29.521 28.738 -0.193 0.000 1.527 555 Q HN 0.399 nan 8.270 nan 0.000 0.441 556 H N 2.706 121.735 119.070 -0.068 0.000 3.157 556 H HA 0.191 4.746 4.556 -0.001 0.000 0.260 556 H C 0.780 176.077 175.328 -0.051 0.000 1.232 556 H CA 0.520 56.532 56.048 -0.060 0.000 1.488 556 H CB 0.362 30.099 29.762 -0.042 0.000 1.548 556 H HN 0.544 nan 8.280 nan 0.000 0.487 557 R N 1.517 122.028 120.500 0.019 0.000 2.435 557 R HA 0.148 4.487 4.340 -0.001 0.000 0.276 557 R C -0.323 175.966 176.300 -0.018 0.000 0.866 557 R CA -0.276 55.825 56.100 0.001 0.000 1.085 557 R CB 0.447 30.736 30.300 -0.017 0.000 1.751 557 R HN 0.124 nan 8.270 nan 0.000 0.463 558 L N 3.071 124.272 121.223 -0.036 0.000 2.350 558 L HA 0.324 4.664 4.340 -0.001 0.000 0.275 558 L C 0.703 177.566 176.870 -0.011 0.000 1.099 558 L CA -0.696 54.120 54.840 -0.041 0.000 0.808 558 L CB 1.428 43.438 42.059 -0.082 0.000 1.149 558 L HN 0.117 nan 8.230 nan 0.000 0.442 559 S N 0.965 116.661 115.700 -0.006 0.000 2.558 559 S HA 0.040 4.509 4.470 -0.001 0.000 0.288 559 S C 0.675 175.286 174.600 0.018 0.000 1.318 559 S CA -0.495 57.710 58.200 0.008 0.000 1.056 559 S CB 0.455 63.658 63.200 0.006 0.000 0.853 559 S HN 0.622 nan 8.310 nan 0.000 0.505 560 K N 1.692 122.109 120.400 0.028 0.000 2.574 560 K HA -0.005 4.314 4.320 -0.001 0.000 0.193 560 K C 1.669 178.293 176.600 0.040 0.000 1.035 560 K CA 0.598 56.909 56.287 0.040 0.000 0.982 560 K CB -0.204 32.319 32.500 0.039 0.000 0.795 560 K HN 0.571 nan 8.250 nan 0.000 0.491 561 S N 0.035 115.754 115.700 0.031 0.000 2.436 561 S HA -0.041 4.428 4.470 -0.001 0.000 0.228 561 S C 1.741 176.366 174.600 0.042 0.000 1.014 561 S CA 0.945 59.164 58.200 0.033 0.000 0.950 561 S CB 0.164 63.377 63.200 0.023 0.000 0.784 561 S HN 0.253 nan 8.310 nan 0.000 0.504 562 S N 1.292 117.016 115.700 0.039 0.000 2.412 562 S HA 0.070 4.540 4.470 -0.001 0.000 0.223 562 S C 1.879 176.529 174.600 0.084 0.000 1.048 562 S CA 0.130 58.359 58.200 0.049 0.000 0.954 562 S CB -0.241 62.967 63.200 0.014 0.000 0.840 562 S HN 0.431 nan 8.310 nan 0.000 0.503 563 Q N 0.903 120.738 119.800 0.058 0.000 2.084 563 Q HA -0.026 4.314 4.340 -0.001 0.000 0.202 563 Q C 2.121 178.209 176.000 0.146 0.000 0.978 563 Q CA 0.938 56.788 55.803 0.079 0.000 0.844 563 Q CB -0.295 28.462 28.738 0.032 0.000 0.898 563 Q HN 0.322 nan 8.270 nan 0.000 0.426 564 L N 0.977 122.265 121.223 0.109 0.000 2.201 564 L HA -0.176 4.163 4.340 -0.001 0.000 0.212 564 L C 1.895 178.830 176.870 0.109 0.000 1.105 564 L CA 1.802 56.706 54.840 0.106 0.000 0.775 564 L CB -0.464 41.639 42.059 0.074 0.000 0.913 564 L HN 0.369 nan 8.230 nan 0.000 0.440 565 Q N -1.614 118.255 119.800 0.115 0.000 2.319 565 Q HA -0.108 4.231 4.340 -0.001 0.000 0.202 565 Q C 1.715 177.808 176.000 0.155 0.000 0.896 565 Q CA -0.041 55.826 55.803 0.105 0.000 0.942 565 Q CB 0.072 28.859 28.738 0.082 0.000 1.083 565 Q HN 0.448 nan 8.270 nan 0.000 0.510 566 F N 2.035 122.015 119.950 0.051 0.000 2.147 566 F HA 0.021 4.547 4.527 -0.001 0.000 0.291 566 F C 1.682 177.576 175.800 0.158 0.000 1.093 566 F CA 1.659 59.694 58.000 0.059 0.000 1.263 566 F CB -0.397 38.593 39.000 -0.016 0.000 1.036 566 F HN 0.155 nan 8.300 nan 0.000 0.481 567 N N 1.250 119.879 118.700 -0.118 0.000 2.381 567 N HA -0.122 4.618 4.740 -0.001 0.000 0.182 567 N C 1.919 177.436 175.510 0.011 0.000 1.025 567 N CA 1.015 54.050 53.050 -0.024 0.000 0.888 567 N CB -0.572 38.109 38.487 0.324 0.000 0.965 567 N HN 0.427 nan 8.380 nan 0.000 0.438 568 A N 2.183 125.010 122.820 0.012 0.000 1.858 568 A HA -0.018 4.301 4.320 -0.001 0.000 0.216 568 A C 2.270 179.838 177.584 -0.027 0.000 1.190 568 A CA 0.886 52.926 52.037 0.004 0.000 0.617 568 A CB -0.765 18.251 19.000 0.027 0.000 0.827 568 A HN 0.191 nan 8.150 nan 0.000 0.443 569 L N -1.584 119.621 121.223 -0.028 0.000 2.610 569 L HA -0.049 4.290 4.340 -0.001 0.000 0.232 569 L C 2.175 179.013 176.870 -0.055 0.000 1.149 569 L CA 0.641 55.468 54.840 -0.023 0.000 0.872 569 L CB -0.324 41.754 42.059 0.032 0.000 0.992 569 L HN 0.634 nan 8.230 nan 0.000 0.447 570 Y N 0.353 120.468 120.300 -0.307 0.000 2.266 570 Y HA -0.027 4.522 4.550 -0.001 0.000 0.294 570 Y C 2.298 178.080 175.900 -0.196 0.000 1.127 570 Y CA 0.931 58.818 58.100 -0.354 0.000 1.140 570 Y CB -0.009 38.057 38.460 -0.657 0.000 1.071 570 Y HN -0.089 nan 8.280 nan 0.000 0.525 571 K N 0.286 120.479 120.400 -0.345 0.000 2.074 571 K HA -0.225 4.094 4.320 -0.001 0.000 0.209 571 K C 1.692 178.147 176.600 -0.242 0.000 1.048 571 K CA 1.858 57.932 56.287 -0.354 0.000 0.926 571 K CB -0.339 32.056 32.500 -0.175 0.000 0.713 571 K HN 0.287 nan 8.250 nan 0.000 0.444 572 D N 0.363 120.673 120.400 -0.150 0.000 2.133 572 D HA -0.167 4.473 4.640 -0.001 0.000 0.192 572 D C 1.821 178.052 176.300 -0.114 0.000 1.001 572 D CA 1.127 55.068 54.000 -0.098 0.000 0.844 572 D CB -0.156 40.609 40.800 -0.058 0.000 0.944 572 D HN -0.062 nan 8.370 nan 0.000 0.447 573 V N 1.125 120.959 119.914 -0.132 0.000 2.427 573 V HA -0.197 3.923 4.120 -0.001 0.000 0.248 573 V C 2.386 178.384 176.094 -0.159 0.000 1.051 573 V CA 0.922 63.155 62.300 -0.111 0.000 1.048 573 V CB -0.329 31.459 31.823 -0.058 0.000 0.666 573 V HN 0.229 nan 8.190 nan 0.000 0.456 574 I N -0.019 120.393 120.570 -0.262 0.000 2.142 574 I HA -0.224 3.945 4.170 -0.001 0.000 0.240 574 I C 2.605 178.588 176.117 -0.223 0.000 1.078 574 I CA 1.776 62.913 61.300 -0.272 0.000 1.343 574 I CB -1.251 36.516 38.000 -0.388 0.000 1.046 574 I HN 0.286 nan 8.210 nan 0.000 0.405 575 R N 1.111 121.494 120.500 -0.195 0.000 2.097 575 R HA -0.194 4.145 4.340 -0.001 0.000 0.236 575 R C 2.487 178.679 176.300 -0.181 0.000 1.135 575 R CA 2.118 58.119 56.100 -0.166 0.000 0.934 575 R CB -0.328 29.934 30.300 -0.064 0.000 0.846 575 R HN 0.383 nan 8.270 nan 0.000 0.431 576 A N 1.167 123.912 122.820 -0.126 0.000 1.927 576 A HA -0.200 4.119 4.320 -0.001 0.000 0.220 576 A C 2.257 179.770 177.584 -0.119 0.000 1.185 576 A CA 1.597 53.573 52.037 -0.101 0.000 0.639 576 A CB -0.721 18.237 19.000 -0.071 0.000 0.820 576 A HN 0.368 nan 8.150 nan 0.000 0.451 577 L N -1.158 119.987 121.223 -0.131 0.000 2.079 577 L HA -0.234 4.106 4.340 -0.001 0.000 0.210 577 L C 3.102 179.874 176.870 -0.164 0.000 1.081 577 L CA 1.182 55.947 54.840 -0.124 0.000 0.752 577 L CB -0.650 41.340 42.059 -0.115 0.000 0.896 577 L HN 0.486 nan 8.230 nan 0.000 0.433 578 A N -0.097 122.571 122.820 -0.253 0.000 1.872 578 A HA -0.163 4.156 4.320 -0.001 0.000 0.214 578 A C 2.263 179.649 177.584 -0.330 0.000 1.187 578 A CA 1.537 53.352 52.037 -0.371 0.000 0.614 578 A CB -0.339 18.253 19.000 -0.680 0.000 0.826 578 A HN 0.323 nan 8.150 nan 0.000 0.442 579 M N -1.382 118.047 119.600 -0.285 0.000 2.160 579 M HA 0.040 4.519 4.480 -0.001 0.000 0.264 579 M C 0.764 177.009 176.300 -0.092 0.000 1.073 579 M CA 0.926 56.126 55.300 -0.167 0.000 1.142 579 M CB 0.033 32.576 32.600 -0.095 0.000 1.358 579 M HN 0.382 nan 8.290 nan 0.000 0.422 580 N N 0.968 119.618 118.700 -0.083 0.000 2.716 580 N HA 0.076 4.816 4.740 -0.001 0.000 0.253 580 N C -0.007 175.469 175.510 -0.056 0.000 1.170 580 N CA 0.051 53.068 53.050 -0.056 0.000 0.807 580 N CB 1.063 39.529 38.487 -0.035 0.000 1.183 580 N HN 0.216 nan 8.380 nan 0.000 0.524 581 E N 0.705 120.869 120.200 -0.059 0.000 2.150 581 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 581 E C 1.645 178.227 176.600 -0.031 0.000 0.985 581 E CA 1.208 57.578 56.400 -0.050 0.000 0.814 581 E CB 0.327 29.997 29.700 -0.049 0.000 0.752 581 E HN 0.657 nan 8.360 nan 0.000 0.466 582 S N 0.125 115.811 115.700 -0.025 0.000 2.382 582 S HA -0.217 4.252 4.470 -0.001 0.000 0.228 582 S C 1.910 176.502 174.600 -0.013 0.000 1.027 582 S CA 1.077 59.269 58.200 -0.015 0.000 0.991 582 S CB -0.213 62.981 63.200 -0.011 0.000 0.823 582 S HN 0.276 nan 8.310 nan 0.000 0.469 583 Q N 0.183 119.973 119.800 -0.017 0.000 2.096 583 Q HA 0.127 4.466 4.340 -0.001 0.000 0.197 583 Q C 2.208 178.199 176.000 -0.014 0.000 0.964 583 Q CA 1.068 56.862 55.803 -0.014 0.000 0.838 583 Q CB -0.196 28.533 28.738 -0.015 0.000 0.906 583 Q HN 0.494 nan 8.270 nan 0.000 0.444 584 I N -0.031 120.527 120.570 -0.020 0.000 2.335 584 I HA -0.232 3.937 4.170 -0.001 0.000 0.251 584 I C 1.890 178.000 176.117 -0.012 0.000 1.129 584 I CA 1.744 63.033 61.300 -0.019 0.000 1.402 584 I CB -0.518 37.465 38.000 -0.029 0.000 1.069 584 I HN 0.350 nan 8.210 nan 0.000 0.424 585 M N -1.328 118.265 119.600 -0.011 0.000 2.329 585 M HA 0.098 4.577 4.480 -0.001 0.000 0.281 585 M C 0.916 177.214 176.300 -0.002 0.000 1.088 585 M CA -0.064 55.232 55.300 -0.006 0.000 1.108 585 M CB 0.635 33.231 32.600 -0.007 0.000 1.657 585 M HN 0.049 nan 8.290 nan 0.000 0.579 609 V N 4.963 124.819 119.914 -0.098 0.000 2.278 609 V HA -0.006 4.113 4.120 -0.001 0.000 0.235 609 V C 0.102 176.120 176.094 -0.127 0.000 1.281 609 V CA 0.583 62.828 62.300 -0.092 0.000 1.351 609 V CB -0.865 30.922 31.823 -0.059 0.000 1.411 609 V HN 0.481 nan 8.190 nan 0.000 0.491 610 E N 2.870 122.957 120.200 -0.188 0.000 2.158 610 E HA 0.633 4.982 4.350 -0.001 0.000 0.271 610 E C 0.117 176.762 176.600 0.075 0.000 0.911 610 E CA -0.326 55.891 56.400 -0.304 0.000 0.767 610 E CB 2.514 31.579 29.700 -1.058 0.000 1.120 610 E HN 0.655 nan 8.360 nan 0.000 0.405 611 T N -1.043 113.669 114.554 0.263 0.000 2.865 611 T HA 0.649 4.998 4.350 -0.001 0.000 0.294 611 T C -0.109 174.783 174.700 0.319 0.000 1.119 611 T CA -0.836 61.423 62.100 0.265 0.000 1.007 611 T CB 0.769 69.632 68.868 -0.008 0.000 1.225 611 T HN 0.312 nan 8.240 nan 0.000 0.515 612 I N 2.098 122.721 120.570 0.089 0.000 2.307 612 I HA 0.346 4.515 4.170 -0.001 0.000 0.289 612 I C -2.474 173.601 176.117 -0.070 0.000 1.021 612 I CA -2.586 58.767 61.300 0.089 0.000 1.224 612 I CB 1.408 39.401 38.000 -0.012 0.000 1.376 612 I HN 0.397 nan 8.210 nan 0.000 0.470 613 P HA 0.034 nan 4.420 nan 0.000 0.266 613 P C 0.528 177.915 177.300 0.144 0.000 1.215 613 P CA -0.134 62.956 63.100 -0.017 0.000 0.763 613 P CB 0.133 31.877 31.700 0.073 0.000 0.806 614 F N 2.323 122.404 119.950 0.220 0.000 2.204 614 F HA -0.218 4.309 4.527 -0.001 0.000 0.294 614 F C 0.925 176.896 175.800 0.285 0.000 1.012 614 F CA 1.416 59.576 58.000 0.265 0.000 1.359 614 F CB -0.903 38.216 39.000 0.198 0.000 1.113 614 F HN 0.293 nan 8.300 nan 0.000 0.530 615 L N 0.420 121.890 121.223 0.412 0.000 2.568 615 L HA 0.322 4.661 4.340 -0.001 0.000 0.262 615 L C -0.331 176.697 176.870 0.263 0.000 0.980 615 L CA -0.589 54.433 54.840 0.302 0.000 0.882 615 L CB 1.263 43.528 42.059 0.344 0.000 1.198 615 L HN 0.046 nan 8.230 nan 0.000 0.425 616 H N 2.576 121.697 119.070 0.084 0.000 2.907 616 H HA 0.736 5.291 4.556 -0.001 0.000 0.361 616 H C -1.361 173.979 175.328 0.020 0.000 1.194 616 H CA -1.074 54.956 56.048 -0.029 0.000 1.152 616 H CB 2.016 31.527 29.762 -0.419 0.000 1.867 616 H HN 0.300 nan 8.280 nan 0.000 0.561 617 L N 1.163 122.472 121.223 0.142 0.000 2.334 617 L HA 0.629 4.968 4.340 -0.001 0.000 0.272 617 L C 0.274 177.275 176.870 0.218 0.000 1.020 617 L CA -0.976 53.939 54.840 0.124 0.000 0.812 617 L CB 1.817 43.948 42.059 0.120 0.000 1.264 617 L HN 0.490 nan 8.230 nan 0.000 0.439 618 R N 0.760 121.397 120.500 0.228 0.000 2.923 618 R HA 0.684 5.023 4.340 -0.001 0.000 0.252 618 R C -1.001 175.516 176.300 0.362 0.000 1.130 618 R CA -0.976 55.279 56.100 0.258 0.000 1.043 618 R CB 2.421 32.779 30.300 0.097 0.000 1.205 618 R HN 0.461 nan 8.270 nan 0.000 0.495 619 K N 0.531 121.074 120.400 0.240 0.000 2.466 619 K HA 0.346 4.665 4.320 -0.001 0.000 0.260 619 K C -1.248 175.176 176.600 -0.293 0.000 1.011 619 K CA -0.770 55.555 56.287 0.064 0.000 0.871 619 K CB 2.079 34.599 32.500 0.034 0.000 1.404 619 K HN 0.278 nan 8.250 nan 0.000 0.450 620 K N 1.770 121.852 120.400 -0.530 0.000 2.248 620 K HA 0.075 4.394 4.320 -0.001 0.000 0.281 620 K C -0.690 175.691 176.600 -0.364 0.000 1.054 620 K CA -0.489 55.362 56.287 -0.726 0.000 0.903 620 K CB 0.993 32.999 32.500 -0.823 0.000 1.077 620 K HN 0.494 nan 8.250 nan 0.000 0.474 621 D N 2.375 122.593 120.400 -0.304 0.000 2.364 621 D HA -0.081 4.558 4.640 -0.001 0.000 0.236 621 D C 0.734 176.992 176.300 -0.071 0.000 1.221 621 D CA 0.555 54.473 54.000 -0.137 0.000 0.891 621 D CB 0.870 41.612 40.800 -0.097 0.000 1.190 621 D HN 0.506 nan 8.370 nan 0.000 0.449 622 E N 0.817 121.051 120.200 0.057 0.000 2.160 622 E HA -0.184 4.165 4.350 -0.001 0.000 0.195 622 E C 0.600 177.191 176.600 -0.015 0.000 0.991 622 E CA 0.828 57.247 56.400 0.032 0.000 0.810 622 E CB -0.209 29.558 29.700 0.111 0.000 0.742 622 E HN 0.495 nan 8.360 nan 0.000 0.466 623 F N 0.826 120.694 119.950 -0.136 0.000 2.899 623 F HA 0.303 4.829 4.527 -0.001 0.000 0.308 623 F C 1.085 176.807 175.800 -0.131 0.000 1.221 623 F CA -0.593 57.341 58.000 -0.110 0.000 1.265 623 F CB 0.466 39.413 39.000 -0.088 0.000 1.253 623 F HN -0.094 nan 8.300 nan 0.000 0.534 624 G N 1.633 110.408 108.800 -0.043 0.000 2.332 624 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.277 624 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.277 624 G C -0.361 174.418 174.900 -0.202 0.000 0.884 624 G CA 0.027 45.035 45.100 -0.154 0.000 1.251 624 G HN 0.458 nan 8.290 nan 0.000 0.462 625 N N -0.840 117.688 118.700 -0.286 0.000 2.269 625 N HA 0.455 5.194 4.740 -0.001 0.000 0.304 625 N C -0.709 174.558 175.510 -0.404 0.000 1.072 625 N CA -0.740 52.167 53.050 -0.239 0.000 0.802 625 N CB 1.169 39.595 38.487 -0.103 0.000 1.348 625 N HN 0.312 nan 8.380 nan 0.000 0.484 626 W N 1.469 122.678 121.300 -0.151 0.000 2.228 626 W HA 0.312 4.971 4.660 -0.001 0.000 0.364 626 W C 0.230 176.610 176.519 -0.233 0.000 0.917 626 W CA -0.522 56.654 57.345 -0.282 0.000 1.513 626 W CB 0.294 29.381 29.460 -0.623 0.000 1.494 626 W HN 0.212 nan 8.180 nan 0.000 0.346 627 E N 1.563 121.766 120.200 0.005 0.000 2.231 627 E HA 0.090 4.439 4.350 -0.001 0.000 0.277 627 E C -0.431 176.239 176.600 0.116 0.000 0.999 627 E CA -1.365 55.051 56.400 0.026 0.000 0.827 627 E CB 1.199 30.888 29.700 -0.019 0.000 1.101 627 E HN 0.120 nan 8.360 nan 0.000 0.393 628 Y N 1.550 121.816 120.300 -0.058 0.000 2.987 628 Y HA -0.129 4.420 4.550 -0.001 0.000 0.339 628 Y C -0.490 175.407 175.900 -0.005 0.000 1.272 628 Y CA 0.124 58.189 58.100 -0.057 0.000 1.562 628 Y CB 0.291 38.616 38.460 -0.225 0.000 1.253 628 Y HN 0.253 nan 8.280 nan 0.000 0.604 629 S N 7.659 123.750 115.700 0.652 0.000 2.539 629 S HA 0.250 4.719 4.470 -0.001 0.000 0.235 629 S C 0.877 175.740 174.600 0.439 0.000 1.326 629 S CA -0.880 57.532 58.200 0.354 0.000 1.183 629 S CB 0.855 64.188 63.200 0.221 0.000 1.073 629 S HN 0.698 nan 8.310 nan 0.000 0.480 630 K N 2.078 122.655 120.400 0.294 0.000 2.160 630 K HA -0.208 4.111 4.320 -0.001 0.000 0.206 630 K C 2.041 178.784 176.600 0.240 0.000 1.047 630 K CA 1.214 57.706 56.287 0.343 0.000 0.930 630 K CB -0.029 32.519 32.500 0.080 0.000 0.720 630 K HN 0.462 nan 8.250 nan 0.000 0.450 631 K N 1.248 121.749 120.400 0.167 0.000 2.032 631 K HA -0.170 4.149 4.320 -0.001 0.000 0.209 631 K C 2.063 178.755 176.600 0.152 0.000 1.048 631 K CA 1.308 57.675 56.287 0.132 0.000 0.927 631 K CB -0.052 32.509 32.500 0.101 0.000 0.712 631 K HN 0.046 nan 8.250 nan 0.000 0.441 632 L N 0.013 121.343 121.223 0.178 0.000 2.049 632 L HA -0.100 4.239 4.340 -0.001 0.000 0.203 632 L C 2.458 179.461 176.870 0.221 0.000 1.074 632 L CA 1.454 56.403 54.840 0.180 0.000 0.749 632 L CB -0.782 41.383 42.059 0.175 0.000 0.907 632 L HN 0.202 nan 8.230 nan 0.000 0.439 633 T N 0.129 114.839 114.554 0.259 0.000 2.760 633 T HA -0.192 4.158 4.350 -0.001 0.000 0.269 633 T C 1.788 176.622 174.700 0.224 0.000 1.047 633 T CA 1.311 63.575 62.100 0.275 0.000 1.139 633 T CB -0.721 68.301 68.868 0.257 0.000 0.855 633 T HN 0.598 nan 8.240 nan 0.000 0.471 634 G N 2.051 110.968 108.800 0.195 0.000 2.575 634 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.215 634 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.215 634 G C 1.444 176.414 174.900 0.116 0.000 1.262 634 G CA 0.852 46.033 45.100 0.135 0.000 0.807 634 G HN 0.544 nan 8.290 nan 0.000 0.567 635 I N -0.214 120.434 120.570 0.132 0.000 2.181 635 I HA -0.311 3.858 4.170 -0.001 0.000 0.247 635 I C 2.545 178.755 176.117 0.155 0.000 1.081 635 I CA 1.991 63.367 61.300 0.126 0.000 1.340 635 I CB -0.552 37.525 38.000 0.129 0.000 1.036 635 I HN 0.297 nan 8.210 nan 0.000 0.417 636 Y N 1.828 122.169 120.300 0.069 0.000 2.114 636 Y HA -0.129 4.420 4.550 -0.001 0.000 0.284 636 Y C 2.296 178.225 175.900 0.048 0.000 1.119 636 Y CA 1.309 59.443 58.100 0.057 0.000 1.108 636 Y CB -0.732 37.762 38.460 0.057 0.000 0.995 636 Y HN -0.039 nan 8.280 nan 0.000 0.491 637 L N 0.447 121.470 121.223 -0.334 0.000 2.349 637 L HA -0.203 4.136 4.340 -0.001 0.000 0.220 637 L C 1.804 178.561 176.870 -0.190 0.000 1.130 637 L CA 1.291 55.886 54.840 -0.408 0.000 0.791 637 L CB -0.464 41.494 42.059 -0.169 0.000 0.918 637 L HN 0.275 nan 8.230 nan 0.000 0.444 638 D N -0.514 119.840 120.400 -0.077 0.000 2.110 638 D HA -0.095 4.545 4.640 -0.001 0.000 0.202 638 D C 2.116 178.408 176.300 -0.012 0.000 0.975 638 D CA 1.434 55.423 54.000 -0.018 0.000 0.839 638 D CB -0.364 40.450 40.800 0.023 0.000 0.996 638 D HN 0.261 nan 8.370 nan 0.000 0.464 639 G N 0.916 109.716 108.800 0.001 0.000 2.422 639 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.218 639 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.218 639 G C 1.528 176.432 174.900 0.006 0.000 1.146 639 G CA 0.419 45.535 45.100 0.026 0.000 0.769 639 G HN 0.217 nan 8.290 nan 0.000 0.547 640 L N 0.453 121.612 121.223 -0.106 0.000 2.187 640 L HA 0.019 4.358 4.340 -0.001 0.000 0.213 640 L C 2.374 179.285 176.870 0.069 0.000 1.100 640 L CA 1.699 56.442 54.840 -0.161 0.000 0.765 640 L CB -0.303 41.436 42.059 -0.533 0.000 0.904 640 L HN 0.236 nan 8.230 nan 0.000 0.437 641 E N -0.470 119.753 120.200 0.038 0.000 2.014 641 E HA -0.088 4.261 4.350 -0.001 0.000 0.190 641 E C 2.096 178.757 176.600 0.100 0.000 0.980 641 E CA 1.001 57.456 56.400 0.090 0.000 0.807 641 E CB -0.100 29.618 29.700 0.031 0.000 0.770 641 E HN 0.481 nan 8.360 nan 0.000 0.451 642 A N 1.503 124.358 122.820 0.058 0.000 2.042 642 A HA -0.210 4.109 4.320 -0.001 0.000 0.222 642 A C 2.307 179.923 177.584 0.053 0.000 1.167 642 A CA 2.124 54.188 52.037 0.044 0.000 0.649 642 A CB -0.601 18.416 19.000 0.029 0.000 0.809 642 A HN 0.353 nan 8.150 nan 0.000 0.457 643 A N -0.065 122.818 122.820 0.105 0.000 1.835 643 A HA 0.149 4.468 4.320 -0.001 0.000 0.215 643 A C 2.548 180.180 177.584 0.080 0.000 1.199 643 A CA 2.209 54.326 52.037 0.133 0.000 0.615 643 A CB -1.253 17.932 19.000 0.307 0.000 0.838 643 A HN 1.205 nan 8.150 nan 0.000 0.444 644 A N -0.935 121.995 122.820 0.183 0.000 2.024 644 A HA -0.139 4.180 4.320 -0.001 0.000 0.220 644 A C 2.248 179.817 177.584 -0.024 0.000 1.164 644 A CA 1.586 53.624 52.037 0.002 0.000 0.643 644 A CB -0.392 18.706 19.000 0.164 0.000 0.806 644 A HN 0.550 nan 8.150 nan 0.000 0.451 645 R N -0.480 120.030 120.500 0.017 0.000 2.060 645 R HA -0.046 4.294 4.340 -0.001 0.000 0.218 645 R C 2.752 179.036 176.300 -0.027 0.000 1.200 645 R CA 1.556 57.656 56.100 0.000 0.000 0.935 645 R CB -0.538 29.771 30.300 0.014 0.000 0.814 645 R HN 0.634 nan 8.270 nan 0.000 0.460 646 S N -0.486 115.201 115.700 -0.021 0.000 2.470 646 S HA 0.132 4.602 4.470 -0.001 0.000 0.225 646 S C 0.795 175.364 174.600 -0.052 0.000 1.006 646 S CA 0.498 58.681 58.200 -0.030 0.000 0.934 646 S CB 0.289 63.479 63.200 -0.017 0.000 0.778 646 S HN 0.704 nan 8.310 nan 0.000 0.517 647 G N 0.335 109.095 108.800 -0.067 0.000 2.629 647 G HA2 0.185 4.144 3.960 -0.001 0.000 0.686 647 G HA3 0.185 4.144 3.960 -0.001 0.000 0.686 647 G C -1.417 173.435 174.900 -0.080 0.000 1.232 647 G CA -0.418 44.618 45.100 -0.107 0.000 0.803 647 G HN 0.919 nan 8.290 nan 0.000 0.638 648 L N 0.775 121.941 121.223 -0.095 0.000 2.341 648 L HA 0.907 5.246 4.340 -0.001 0.000 0.278 648 L C 0.465 177.206 176.870 -0.215 0.000 1.005 648 L CA -0.103 54.658 54.840 -0.131 0.000 0.818 648 L CB 2.073 44.082 42.059 -0.083 0.000 1.259 648 L HN 1.070 nan 8.230 nan 0.000 0.418 649 T N 3.333 117.707 114.554 -0.300 0.000 2.925 649 T HA 0.552 4.901 4.350 -0.001 0.000 0.285 649 T C -0.073 174.345 174.700 -0.469 0.000 1.021 649 T CA -0.065 61.885 62.100 -0.249 0.000 1.042 649 T CB 0.601 69.413 68.868 -0.094 0.000 1.037 649 T HN 0.430 nan 8.240 nan 0.000 0.481 650 F N 0.785 120.751 119.950 0.027 0.000 2.781 650 F HA 0.404 4.930 4.527 -0.001 0.000 0.322 650 F C 1.108 176.898 175.800 -0.017 0.000 1.108 650 F CA -0.605 57.392 58.000 -0.005 0.000 1.179 650 F CB 0.261 39.210 39.000 -0.085 0.000 1.072 650 F HN 0.513 nan 8.300 nan 0.000 0.545 651 Q N 0.892 120.760 119.800 0.114 0.000 2.549 651 Q HA 0.169 4.508 4.340 -0.001 0.000 0.347 651 Q C 1.433 177.442 176.000 0.016 0.000 1.081 651 Q CA 1.561 57.398 55.803 0.056 0.000 1.093 651 Q CB 0.216 28.975 28.738 0.034 0.000 1.067 651 Q HN 0.714 nan 8.270 nan 0.000 0.398 652 G N 3.212 111.988 108.800 -0.040 0.000 2.179 652 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.260 652 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.260 652 G C -0.163 174.558 174.900 -0.299 0.000 0.977 652 G CA 0.466 45.486 45.100 -0.134 0.000 0.641 652 G HN 0.551 nan 8.290 nan 0.000 0.533 653 K N 0.432 120.714 120.400 -0.197 0.000 2.118 653 K HA 0.602 4.921 4.320 -0.001 0.000 0.254 653 K C -0.433 175.971 176.600 -0.327 0.000 0.961 653 K CA -0.835 55.327 56.287 -0.208 0.000 0.876 653 K CB 0.753 33.358 32.500 0.175 0.000 1.077 653 K HN 0.303 nan 8.250 nan 0.000 0.440 654 H N 0.088 119.079 119.070 -0.132 0.000 2.495 654 H HA 0.602 5.157 4.556 -0.001 0.000 0.348 654 H C -0.910 174.366 175.328 -0.087 0.000 1.113 654 H CA -0.879 54.974 56.048 -0.324 0.000 1.195 654 H CB 1.987 31.455 29.762 -0.490 0.000 1.521 654 H HN 0.702 nan 8.280 nan 0.000 0.509 655 A N 2.785 125.622 122.820 0.028 0.000 2.520 655 A HA 0.455 4.774 4.320 -0.001 0.000 0.298 655 A C -1.347 176.303 177.584 0.110 0.000 1.051 655 A CA -0.666 51.429 52.037 0.098 0.000 0.690 655 A CB 1.803 20.802 19.000 -0.001 0.000 1.281 655 A HN 0.490 nan 8.150 nan 0.000 0.402 656 L N 1.988 123.281 121.223 0.117 0.000 2.325 656 L HA 0.864 5.203 4.340 -0.001 0.000 0.279 656 L C -0.502 176.388 176.870 0.033 0.000 1.054 656 L CA -0.125 54.761 54.840 0.076 0.000 0.804 656 L CB 0.844 42.933 42.059 0.050 0.000 1.200 656 L HN 0.696 nan 8.230 nan 0.000 0.436 657 M N 4.940 124.544 119.600 0.006 0.000 2.122 657 M HA 0.272 4.751 4.480 -0.001 0.000 0.269 657 M C -0.768 175.538 176.300 0.011 0.000 0.954 657 M CA -0.482 54.821 55.300 0.004 0.000 0.998 657 M CB 1.877 34.466 32.600 -0.019 0.000 1.755 657 M HN 0.786 nan 8.290 nan 0.000 0.459 658 T N -0.965 113.615 114.554 0.043 0.000 2.767 658 T HA 0.726 5.075 4.350 -0.001 0.000 0.284 658 T C 0.887 175.677 174.700 0.150 0.000 0.973 658 T CA 0.428 62.574 62.100 0.077 0.000 0.996 658 T CB 1.514 70.428 68.868 0.076 0.000 0.927 658 T HN 0.996 nan 8.240 nan 0.000 0.456 659 G N 1.913 110.799 108.800 0.143 0.000 2.154 659 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.186 659 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.186 659 G C 0.559 175.525 174.900 0.110 0.000 1.000 659 G CA -0.275 44.918 45.100 0.155 0.000 0.664 659 G HN 1.517 nan 8.290 nan 0.000 0.513 660 A N 0.745 123.624 122.820 0.099 0.000 2.543 660 A HA 0.646 4.966 4.320 -0.001 0.000 0.258 660 A C 1.553 179.216 177.584 0.132 0.000 1.391 660 A CA 1.215 53.304 52.037 0.086 0.000 1.066 660 A CB -0.633 18.440 19.000 0.123 0.000 0.972 660 A HN 1.742 nan 8.150 nan 0.000 0.560 661 G N -0.535 108.313 108.800 0.080 0.000 2.690 661 G HA2 0.431 4.390 3.960 -0.001 0.000 0.239 661 G HA3 0.431 4.390 3.960 -0.001 0.000 0.239 661 G C 0.542 175.365 174.900 -0.129 0.000 1.233 661 G CA 0.079 45.186 45.100 0.012 0.000 0.847 661 G HN 1.037 nan 8.290 nan 0.000 0.588 662 A N -0.517 122.066 122.820 -0.396 0.000 2.511 662 A HA 0.540 4.860 4.320 -0.001 0.000 0.242 662 A C 1.542 178.981 177.584 -0.242 0.000 1.069 662 A CA 1.016 52.655 52.037 -0.663 0.000 0.763 662 A CB -0.369 17.908 19.000 -1.206 0.000 1.001 662 A HN 2.659 nan 8.150 nan 0.000 0.498 663 G N 1.214 109.958 108.800 -0.094 0.000 2.272 663 G HA2 0.064 4.023 3.960 -0.001 0.000 0.280 663 G HA3 0.064 4.023 3.960 -0.001 0.000 0.280 663 G C 0.220 175.109 174.900 -0.019 0.000 1.067 663 G CA 0.946 46.028 45.100 -0.031 0.000 0.902 663 G HN 2.369 nan 8.290 nan 0.000 0.500 664 S N -1.715 113.978 115.700 -0.013 0.000 2.627 664 S HA 0.736 5.206 4.470 -0.001 0.000 0.283 664 S C 1.314 175.906 174.600 -0.012 0.000 1.127 664 S CA -0.418 57.781 58.200 -0.003 0.000 0.863 664 S CB 1.612 64.810 63.200 -0.004 0.000 1.121 664 S HN 0.321 nan 8.310 nan 0.000 0.479 665 I N 1.309 121.879 120.570 0.001 0.000 2.151 665 I HA -0.110 4.060 4.170 -0.001 0.000 0.243 665 I C 2.714 178.723 176.117 -0.179 0.000 1.080 665 I CA 1.883 63.161 61.300 -0.036 0.000 1.339 665 I CB -1.043 36.982 38.000 0.042 0.000 1.039 665 I HN 0.928 nan 8.210 nan 0.000 0.409 666 G N 0.547 109.192 108.800 -0.258 0.000 2.440 666 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.218 666 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.218 666 G C 1.880 176.667 174.900 -0.188 0.000 1.154 666 G CA 0.918 45.803 45.100 -0.359 0.000 0.767 666 G HN 0.513 nan 8.290 nan 0.000 0.552 667 A N 0.675 123.439 122.820 -0.093 0.000 1.883 667 A HA -0.073 4.246 4.320 -0.001 0.000 0.217 667 A C 2.275 179.805 177.584 -0.090 0.000 1.186 667 A CA 2.047 54.055 52.037 -0.050 0.000 0.624 667 A CB -0.335 18.674 19.000 0.015 0.000 0.822 667 A HN 0.319 nan 8.150 nan 0.000 0.444 668 E N -0.182 119.964 120.200 -0.089 0.000 2.028 668 E HA -0.112 4.237 4.350 -0.001 0.000 0.191 668 E C 2.254 178.755 176.600 -0.166 0.000 0.988 668 E CA 1.329 57.670 56.400 -0.098 0.000 0.799 668 E CB -0.844 28.830 29.700 -0.044 0.000 0.755 668 E HN 0.359 nan 8.360 nan 0.000 0.447 669 V N 2.131 121.929 119.914 -0.194 0.000 2.370 669 V HA -0.281 3.838 4.120 -0.001 0.000 0.252 669 V C 2.564 178.484 176.094 -0.291 0.000 1.068 669 V CA 1.761 63.906 62.300 -0.259 0.000 1.061 669 V CB -0.705 30.935 31.823 -0.305 0.000 0.656 669 V HN 0.166 nan 8.190 nan 0.000 0.455 670 L N 0.485 121.573 121.223 -0.226 0.000 1.970 670 L HA -0.263 4.076 4.340 -0.001 0.000 0.212 670 L C 2.621 179.379 176.870 -0.186 0.000 1.071 670 L CA 2.164 56.895 54.840 -0.182 0.000 0.751 670 L CB -0.842 41.165 42.059 -0.086 0.000 0.889 670 L HN 0.398 nan 8.230 nan 0.000 0.432 671 Q N -0.335 119.362 119.800 -0.171 0.000 2.217 671 Q HA -0.196 4.144 4.340 -0.001 0.000 0.209 671 Q C 2.072 177.955 176.000 -0.196 0.000 0.988 671 Q CA 1.374 57.083 55.803 -0.157 0.000 0.878 671 Q CB -0.827 27.821 28.738 -0.149 0.000 0.909 671 Q HN 0.764 nan 8.270 nan 0.000 0.424 672 G N 1.703 110.301 108.800 -0.336 0.000 2.552 672 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.216 672 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.216 672 G C 1.343 176.098 174.900 -0.242 0.000 1.240 672 G CA 1.001 45.783 45.100 -0.529 0.000 0.796 672 G HN 0.198 nan 8.290 nan 0.000 0.568 673 L N 0.388 121.374 121.223 -0.395 0.000 2.127 673 L HA -0.020 4.320 4.340 -0.001 0.000 0.211 673 L C 2.802 179.596 176.870 -0.127 0.000 1.089 673 L CA 0.745 55.303 54.840 -0.470 0.000 0.757 673 L CB -0.436 41.205 42.059 -0.697 0.000 0.899 673 L HN 0.161 nan 8.230 nan 0.000 0.434 674 L N -1.642 119.526 121.223 -0.091 0.000 2.141 674 L HA -0.145 4.194 4.340 -0.001 0.000 0.209 674 L C 2.539 179.419 176.870 0.016 0.000 1.094 674 L CA 0.822 55.661 54.840 -0.002 0.000 0.763 674 L CB -0.394 41.673 42.059 0.012 0.000 0.908 674 L HN 0.205 nan 8.230 nan 0.000 0.437 675 S N -0.366 115.350 115.700 0.027 0.000 2.406 675 S HA 0.006 4.475 4.470 -0.001 0.000 0.228 675 S C 1.204 175.877 174.600 0.122 0.000 1.020 675 S CA 0.617 58.858 58.200 0.068 0.000 0.965 675 S CB -0.244 63.023 63.200 0.113 0.000 0.798 675 S HN 0.522 nan 8.310 nan 0.000 0.488 676 G N -0.047 108.877 108.800 0.206 0.000 2.611 676 G HA2 0.411 4.370 3.960 -0.001 0.000 0.273 676 G HA3 0.411 4.370 3.960 -0.001 0.000 0.273 676 G C 0.791 175.780 174.900 0.148 0.000 1.305 676 G CA -0.105 45.133 45.100 0.230 0.000 1.010 676 G HN 0.354 nan 8.290 nan 0.000 0.509 677 G N -0.843 108.033 108.800 0.128 0.000 3.234 677 G HA2 0.414 4.373 3.960 -0.001 0.000 0.221 677 G HA3 0.414 4.373 3.960 -0.001 0.000 0.221 677 G C 0.713 175.647 174.900 0.058 0.000 1.229 677 G CA 0.745 45.895 45.100 0.083 0.000 0.909 677 G HN 0.888 nan 8.290 nan 0.000 0.510 678 A N 0.383 123.236 122.820 0.055 0.000 2.425 678 A HA 0.552 4.872 4.320 -0.001 0.000 0.249 678 A C 0.297 177.859 177.584 -0.037 0.000 1.084 678 A CA -0.168 51.850 52.037 -0.032 0.000 0.781 678 A CB 0.501 19.416 19.000 -0.141 0.000 1.019 678 A HN 0.305 nan 8.150 nan 0.000 0.490 679 K N 1.346 121.674 120.400 -0.119 0.000 2.263 679 K HA 0.497 4.816 4.320 -0.001 0.000 0.272 679 K C -0.626 175.825 176.600 -0.247 0.000 1.033 679 K CA -0.390 55.779 56.287 -0.198 0.000 0.884 679 K CB 1.429 33.653 32.500 -0.459 0.000 1.107 679 K HN 0.581 nan 8.250 nan 0.000 0.460 680 V N 0.962 120.868 119.914 -0.014 0.000 2.815 680 V HA 0.592 4.711 4.120 -0.001 0.000 0.314 680 V C -0.367 175.908 176.094 0.301 0.000 1.064 680 V CA -1.140 61.212 62.300 0.087 0.000 0.952 680 V CB 1.867 33.701 31.823 0.018 0.000 1.020 680 V HN 0.750 nan 8.190 nan 0.000 0.439 681 I N 2.949 123.702 120.570 0.306 0.000 2.382 681 I HA 0.650 4.819 4.170 -0.001 0.000 0.286 681 I C -1.079 175.066 176.117 0.047 0.000 1.002 681 I CA -0.618 60.790 61.300 0.180 0.000 1.135 681 I CB 1.401 39.483 38.000 0.136 0.000 1.288 681 I HN 0.564 nan 8.210 nan 0.000 0.448 682 V N 5.793 125.701 119.914 -0.011 0.000 2.435 682 V HA 0.432 4.552 4.120 -0.001 0.000 0.290 682 V C 0.412 176.449 176.094 -0.094 0.000 1.030 682 V CA -0.487 61.790 62.300 -0.037 0.000 0.881 682 V CB 1.667 33.483 31.823 -0.012 0.000 0.983 682 V HN 0.804 nan 8.190 nan 0.000 0.445 683 T N 0.844 115.368 114.554 -0.051 0.000 2.795 683 T HA 0.594 4.943 4.350 -0.001 0.000 0.282 683 T C -0.287 174.457 174.700 0.073 0.000 0.980 683 T CA -0.481 61.626 62.100 0.012 0.000 1.012 683 T CB 1.516 70.361 68.868 -0.038 0.000 0.936 683 T HN 0.643 nan 8.240 nan 0.000 0.457 684 T N 1.093 115.701 114.554 0.090 0.000 2.876 684 T HA 0.516 4.865 4.350 -0.001 0.000 0.289 684 T C 0.981 175.768 174.700 0.145 0.000 1.014 684 T CA -0.342 61.806 62.100 0.079 0.000 0.986 684 T CB 1.467 70.301 68.868 -0.057 0.000 1.021 684 T HN 0.845 nan 8.240 nan 0.000 0.458 685 S N 3.272 119.036 115.700 0.106 0.000 2.540 685 S HA 0.282 4.751 4.470 -0.001 0.000 0.218 685 S C 0.448 175.087 174.600 0.064 0.000 0.977 685 S CA -0.526 57.720 58.200 0.076 0.000 0.918 685 S CB 0.023 63.245 63.200 0.036 0.000 0.806 685 S HN 0.660 nan 8.310 nan 0.000 0.496 686 R N 0.901 121.444 120.500 0.071 0.000 2.494 686 R HA 0.344 4.684 4.340 -0.001 0.000 0.284 686 R C -1.580 174.778 176.300 0.096 0.000 1.525 686 R CA -0.366 55.774 56.100 0.066 0.000 1.460 686 R CB 0.297 30.613 30.300 0.027 0.000 1.134 686 R HN 0.360 nan 8.270 nan 0.000 0.592 687 F N 3.200 123.142 119.950 -0.013 0.000 2.567 687 F HA 0.181 4.707 4.527 -0.001 0.000 0.352 687 F C -0.019 175.775 175.800 -0.011 0.000 1.229 687 F CA -0.255 57.733 58.000 -0.020 0.000 1.228 687 F CB 0.341 39.316 39.000 -0.041 0.000 1.568 687 F HN 0.332 nan 8.300 nan 0.000 0.634 688 S N 3.966 119.731 115.700 0.108 0.000 2.689 688 S HA 0.425 4.895 4.470 -0.001 0.000 0.306 688 S C 1.060 175.685 174.600 0.042 0.000 1.104 688 S CA -1.103 57.163 58.200 0.110 0.000 0.973 688 S CB 1.927 65.165 63.200 0.063 0.000 1.121 688 S HN 0.689 nan 8.310 nan 0.000 0.523 689 R N 0.359 120.896 120.500 0.062 0.000 2.096 689 R HA -0.149 4.191 4.340 -0.001 0.000 0.235 689 R C 2.190 178.502 176.300 0.021 0.000 1.127 689 R CA 1.624 57.747 56.100 0.038 0.000 0.968 689 R CB -0.457 29.867 30.300 0.041 0.000 0.861 689 R HN 0.883 nan 8.270 nan 0.000 0.440 690 Q N 0.252 120.068 119.800 0.026 0.000 2.096 690 Q HA -0.146 4.193 4.340 -0.001 0.000 0.204 690 Q C 1.874 177.903 176.000 0.049 0.000 0.982 690 Q CA 1.975 57.795 55.803 0.027 0.000 0.850 690 Q CB 0.097 28.846 28.738 0.018 0.000 0.901 690 Q HN 0.279 nan 8.270 nan 0.000 0.422 691 V N 0.235 120.167 119.914 0.031 0.000 2.488 691 V HA -0.166 3.953 4.120 -0.001 0.000 0.246 691 V C 2.252 178.437 176.094 0.151 0.000 1.046 691 V CA 1.812 64.168 62.300 0.094 0.000 1.053 691 V CB -0.523 31.301 31.823 0.002 0.000 0.679 691 V HN 0.437 nan 8.190 nan 0.000 0.458 692 T N -0.151 114.375 114.554 -0.047 0.000 2.635 692 T HA -0.246 4.104 4.350 -0.001 0.000 0.267 692 T C 1.795 176.565 174.700 0.117 0.000 1.040 692 T CA 1.956 64.041 62.100 -0.025 0.000 1.156 692 T CB -0.221 68.624 68.868 -0.039 0.000 0.863 692 T HN 0.564 nan 8.240 nan 0.000 0.430 693 E N -0.108 120.126 120.200 0.057 0.000 2.012 693 E HA -0.194 4.156 4.350 -0.001 0.000 0.197 693 E C 1.960 178.575 176.600 0.026 0.000 1.007 693 E CA 1.607 58.004 56.400 -0.004 0.000 0.816 693 E CB -0.453 29.234 29.700 -0.020 0.000 0.762 693 E HN 0.600 nan 8.360 nan 0.000 0.451 694 Y N 0.703 120.986 120.300 -0.029 0.000 2.062 694 Y HA -0.379 4.170 4.550 -0.001 0.000 0.273 694 Y C 2.101 177.936 175.900 -0.108 0.000 1.206 694 Y CA 2.173 60.221 58.100 -0.087 0.000 1.125 694 Y CB -0.687 37.711 38.460 -0.103 0.000 0.951 694 Y HN 0.116 nan 8.280 nan 0.000 0.501 695 Y N 0.214 120.499 120.300 -0.024 0.000 2.220 695 Y HA -0.230 4.319 4.550 -0.001 0.000 0.291 695 Y C 2.746 178.620 175.900 -0.044 0.000 1.129 695 Y CA 1.620 59.690 58.100 -0.050 0.000 1.161 695 Y CB -0.867 37.683 38.460 0.151 0.000 0.997 695 Y HN 0.425 nan 8.280 nan 0.000 0.522 696 Q N 0.068 119.880 119.800 0.020 0.000 2.167 696 Q HA -0.050 4.289 4.340 -0.001 0.000 0.202 696 Q C 2.325 178.083 176.000 -0.404 0.000 0.970 696 Q CA 1.830 57.361 55.803 -0.454 0.000 0.855 696 Q CB -1.101 27.097 28.738 -0.901 0.000 0.911 696 Q HN 0.310 nan 8.270 nan 0.000 0.438 697 G N 1.591 110.179 108.800 -0.354 0.000 2.480 697 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.216 697 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.216 697 G C 1.511 176.188 174.900 -0.372 0.000 1.200 697 G CA 1.162 46.034 45.100 -0.380 0.000 0.782 697 G HN 0.389 nan 8.290 nan 0.000 0.554 698 I N -0.600 119.728 120.570 -0.402 0.000 2.145 698 I HA -0.271 3.898 4.170 -0.001 0.000 0.244 698 I C 2.500 178.506 176.117 -0.184 0.000 1.075 698 I CA 1.714 62.810 61.300 -0.340 0.000 1.332 698 I CB -0.247 37.495 38.000 -0.429 0.000 1.033 698 I HN 0.296 nan 8.210 nan 0.000 0.410 699 Y N 1.251 121.423 120.300 -0.214 0.000 2.373 699 Y HA -0.092 4.457 4.550 -0.001 0.000 0.293 699 Y C 2.391 178.165 175.900 -0.210 0.000 1.129 699 Y CA 1.002 59.029 58.100 -0.120 0.000 1.226 699 Y CB -0.154 38.324 38.460 0.029 0.000 1.000 699 Y HN 0.119 nan 8.280 nan 0.000 0.549 700 A N 0.179 122.740 122.820 -0.432 0.000 2.067 700 A HA -0.093 4.226 4.320 -0.001 0.000 0.219 700 A C 2.055 179.430 177.584 -0.349 0.000 1.158 700 A CA 1.300 52.930 52.037 -0.678 0.000 0.661 700 A CB -0.217 18.235 19.000 -0.913 0.000 0.801 700 A HN 0.360 nan 8.150 nan 0.000 0.452 701 R N -1.912 118.409 120.500 -0.297 0.000 2.250 701 R HA 0.165 4.504 4.340 -0.001 0.000 0.194 701 R C 1.093 177.288 176.300 -0.174 0.000 0.927 701 R CA 0.944 56.923 56.100 -0.201 0.000 1.052 701 R CB -0.682 29.504 30.300 -0.191 0.000 1.055 701 R HN 0.511 nan 8.270 nan 0.000 0.537 702 C N 0.170 119.339 119.300 -0.218 0.000 3.336 702 C HA 0.352 4.812 4.460 -0.001 0.000 0.291 702 C C 1.206 176.064 174.990 -0.219 0.000 1.363 702 C CA -0.780 58.138 59.018 -0.167 0.000 1.737 702 C CB -0.022 27.641 27.740 -0.128 0.000 2.274 702 C HN 0.369 nan 8.230 nan 0.000 0.663 703 G N 1.753 110.283 108.800 -0.450 0.000 2.605 703 G HA2 0.478 4.438 3.960 -0.001 0.000 0.301 703 G HA3 0.478 4.438 3.960 -0.001 0.000 0.301 703 G C 0.390 175.134 174.900 -0.261 0.000 0.881 703 G CA 0.402 45.108 45.100 -0.658 0.000 1.553 703 G HN 0.598 nan 8.290 nan 0.000 0.483 704 A N 3.650 126.415 122.820 -0.091 0.000 2.386 704 A HA 0.570 4.889 4.320 -0.001 0.000 0.248 704 A C 1.059 178.670 177.584 0.046 0.000 1.082 704 A CA -0.686 51.348 52.037 -0.004 0.000 0.789 704 A CB 0.299 19.317 19.000 0.030 0.000 1.025 704 A HN 0.920 nan 8.150 nan 0.000 0.490 705 R N 0.834 121.376 120.500 0.070 0.000 2.638 705 R HA 0.353 4.692 4.340 -0.001 0.000 0.268 705 R C 1.040 177.404 176.300 0.106 0.000 1.006 705 R CA 0.391 56.556 56.100 0.108 0.000 1.088 705 R CB -0.227 30.135 30.300 0.103 0.000 0.950 705 R HN 1.899 nan 8.270 nan 0.000 0.419 706 G N 1.134 110.012 108.800 0.129 0.000 2.299 706 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.237 706 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.237 706 G C 0.219 175.194 174.900 0.125 0.000 1.027 706 G CA 0.243 45.408 45.100 0.109 0.000 0.619 706 G HN 1.049 nan 8.290 nan 0.000 0.513 707 S N -0.314 115.485 115.700 0.164 0.000 2.614 707 S HA 0.668 5.138 4.470 -0.001 0.000 0.265 707 S C -0.206 174.585 174.600 0.318 0.000 1.303 707 S CA 0.807 59.132 58.200 0.208 0.000 1.000 707 S CB 2.024 65.353 63.200 0.214 0.000 0.935 707 S HN 1.155 nan 8.310 nan 0.000 0.551 708 Q N 0.591 120.550 119.800 0.266 0.000 2.320 708 Q HA 0.519 4.858 4.340 -0.001 0.000 0.272 708 Q C -2.175 173.881 176.000 0.094 0.000 1.023 708 Q CA -0.618 55.278 55.803 0.155 0.000 0.855 708 Q CB 1.610 30.451 28.738 0.172 0.000 1.367 708 Q HN 0.836 nan 8.270 nan 0.000 0.406 709 L N 4.527 125.664 121.223 -0.144 0.000 2.325 709 L HA 0.644 4.983 4.340 -0.001 0.000 0.281 709 L C -1.473 175.279 176.870 -0.196 0.000 1.004 709 L CA -0.812 53.982 54.840 -0.077 0.000 0.823 709 L CB 1.807 43.852 42.059 -0.025 0.000 1.236 709 L HN 0.533 nan 8.230 nan 0.000 0.415 710 V N 5.865 125.726 119.914 -0.088 0.000 2.326 710 V HA 0.349 4.469 4.120 -0.001 0.000 0.281 710 V C 0.065 176.038 176.094 -0.202 0.000 1.015 710 V CA -0.550 61.640 62.300 -0.184 0.000 0.823 710 V CB 1.882 33.641 31.823 -0.106 0.000 1.009 710 V HN 0.449 nan 8.190 nan 0.000 0.436 711 V N 5.645 125.348 119.914 -0.351 0.000 2.617 711 V HA 0.671 4.790 4.120 -0.001 0.000 0.298 711 V C -0.067 175.953 176.094 -0.124 0.000 1.048 711 V CA -0.413 61.687 62.300 -0.334 0.000 0.964 711 V CB 1.983 33.457 31.823 -0.581 0.000 1.004 711 V HN 0.564 nan 8.190 nan 0.000 0.466 712 V N 4.835 124.745 119.914 -0.007 0.000 3.012 712 V HA 0.474 4.593 4.120 -0.001 0.000 0.307 712 V C -2.671 173.619 176.094 0.327 0.000 1.166 712 V CA -1.696 60.716 62.300 0.187 0.000 0.974 712 V CB 3.191 35.120 31.823 0.177 0.000 1.040 712 V HN 0.768 nan 8.190 nan 0.000 0.428 713 P HA 0.543 nan 4.420 nan 0.000 0.284 713 P C -1.383 176.142 177.300 0.374 0.000 1.253 713 P CA -0.121 63.187 63.100 0.347 0.000 0.800 713 P CB 0.688 32.373 31.700 -0.026 0.000 0.961 714 F N 2.027 122.054 119.950 0.130 0.000 2.713 714 F HA 0.523 5.050 4.527 -0.001 0.000 0.311 714 F C -1.727 174.098 175.800 0.041 0.000 1.141 714 F CA -0.684 57.377 58.000 0.101 0.000 0.939 714 F CB 2.044 41.087 39.000 0.073 0.000 1.325 714 F HN 0.287 nan 8.300 nan 0.000 0.453 715 N N 2.941 121.039 118.700 -1.003 0.000 2.653 715 N HA 0.150 4.889 4.740 -0.001 0.000 0.261 715 N C -0.451 174.508 175.510 -0.918 0.000 1.216 715 N CA -0.196 52.457 53.050 -0.661 0.000 0.784 715 N CB 1.282 39.548 38.487 -0.368 0.000 1.327 715 N HN 0.786 nan 8.380 nan 0.000 0.539 716 Q N 1.672 121.082 119.800 -0.650 0.000 2.541 716 Q HA 0.001 4.340 4.340 -0.001 0.000 0.215 716 Q C 1.539 177.402 176.000 -0.228 0.000 0.977 716 Q CA 1.062 56.665 55.803 -0.334 0.000 0.934 716 Q CB 0.112 28.918 28.738 0.114 0.000 0.988 716 Q HN 0.781 nan 8.270 nan 0.000 0.521 717 G N -0.297 108.344 108.800 -0.264 0.000 2.598 717 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.215 717 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.215 717 G C 0.376 175.124 174.900 -0.254 0.000 1.131 717 G CA 0.345 45.301 45.100 -0.240 0.000 0.785 717 G HN 0.247 nan 8.290 nan 0.000 0.539 718 S N -0.363 115.168 115.700 -0.282 0.000 2.433 718 S HA 0.329 4.798 4.470 -0.001 0.000 0.310 718 S C 1.245 175.743 174.600 -0.170 0.000 1.097 718 S CA -0.553 57.508 58.200 -0.231 0.000 1.103 718 S CB 1.595 64.647 63.200 -0.246 0.000 0.992 718 S HN 0.295 nan 8.310 nan 0.000 0.469 719 K N 3.895 124.223 120.400 -0.120 0.000 2.044 719 K HA -0.204 4.115 4.320 -0.001 0.000 0.210 719 K C 1.715 178.275 176.600 -0.067 0.000 1.049 719 K CA 1.928 58.168 56.287 -0.078 0.000 0.927 719 K CB -0.202 32.261 32.500 -0.062 0.000 0.713 719 K HN 0.804 nan 8.250 nan 0.000 0.443 720 Q N 0.337 120.091 119.800 -0.076 0.000 2.016 720 Q HA -0.168 4.171 4.340 -0.001 0.000 0.200 720 Q C 1.938 177.918 176.000 -0.034 0.000 0.978 720 Q CA 1.689 57.460 55.803 -0.053 0.000 0.833 720 Q CB -0.139 28.566 28.738 -0.056 0.000 0.895 720 Q HN 0.352 nan 8.270 nan 0.000 0.427 721 D N 0.100 120.462 120.400 -0.063 0.000 2.126 721 D HA -0.170 4.469 4.640 -0.001 0.000 0.190 721 D C 1.927 178.291 176.300 0.107 0.000 1.001 721 D CA 1.068 55.048 54.000 -0.034 0.000 0.841 721 D CB -0.306 40.313 40.800 -0.302 0.000 0.949 721 D HN 0.006 nan 8.370 nan 0.000 0.446 722 V N 1.092 121.068 119.914 0.104 0.000 2.231 722 V HA -0.260 3.860 4.120 -0.001 0.000 0.248 722 V C 2.139 178.251 176.094 0.030 0.000 1.054 722 V CA 2.057 64.475 62.300 0.196 0.000 1.015 722 V CB -0.483 31.396 31.823 0.094 0.000 0.638 722 V HN 0.303 nan 8.190 nan 0.000 0.444 723 E N -0.191 119.997 120.200 -0.019 0.000 2.409 723 E HA -0.088 4.261 4.350 -0.001 0.000 0.198 723 E C 2.030 178.592 176.600 -0.063 0.000 1.024 723 E CA 0.955 57.324 56.400 -0.052 0.000 0.861 723 E CB -0.171 29.500 29.700 -0.049 0.000 0.788 723 E HN 0.644 nan 8.360 nan 0.000 0.521 724 A N 1.276 124.053 122.820 -0.072 0.000 1.901 724 A HA 0.021 4.340 4.320 -0.001 0.000 0.210 724 A C 2.079 179.452 177.584 -0.352 0.000 1.208 724 A CA 0.031 52.011 52.037 -0.096 0.000 0.644 724 A CB -0.476 18.543 19.000 0.032 0.000 0.863 724 A HN 0.206 nan 8.150 nan 0.000 0.454 725 L N 0.328 121.190 121.223 -0.602 0.000 2.021 725 L HA -0.210 4.129 4.340 -0.001 0.000 0.215 725 L C 2.398 179.050 176.870 -0.363 0.000 1.074 725 L CA 1.932 56.260 54.840 -0.854 0.000 0.760 725 L CB -0.321 41.377 42.059 -0.600 0.000 0.889 725 L HN 0.246 nan 8.230 nan 0.000 0.433 726 V N 0.540 120.331 119.914 -0.205 0.000 2.453 726 V HA -0.311 3.809 4.120 -0.001 0.000 0.252 726 V C 2.054 178.152 176.094 0.006 0.000 1.068 726 V CA 2.108 64.358 62.300 -0.084 0.000 1.070 726 V CB -0.814 30.940 31.823 -0.115 0.000 0.664 726 V HN 0.574 nan 8.190 nan 0.000 0.461 727 N N -1.303 117.385 118.700 -0.020 0.000 2.376 727 N HA -0.079 4.661 4.740 -0.001 0.000 0.177 727 N C 1.600 177.171 175.510 0.101 0.000 1.024 727 N CA 0.726 53.805 53.050 0.049 0.000 0.893 727 N CB -0.424 38.085 38.487 0.036 0.000 0.980 727 N HN 0.583 nan 8.380 nan 0.000 0.439 728 Y N 1.890 122.162 120.300 -0.047 0.000 2.224 728 Y HA -0.021 4.528 4.550 -0.001 0.000 0.289 728 Y C 1.890 177.723 175.900 -0.113 0.000 1.146 728 Y CA 1.177 59.271 58.100 -0.010 0.000 1.182 728 Y CB -0.309 38.228 38.460 0.129 0.000 0.983 728 Y HN -0.032 nan 8.280 nan 0.000 0.524 729 I N -1.475 119.013 120.570 -0.136 0.000 2.252 729 I HA -0.320 3.849 4.170 -0.001 0.000 0.245 729 I C 1.315 177.264 176.117 -0.280 0.000 1.102 729 I CA 1.641 62.770 61.300 -0.285 0.000 1.385 729 I CB -0.520 37.452 38.000 -0.047 0.000 1.064 729 I HN 0.169 nan 8.210 nan 0.000 0.414 730 Y N -0.107 120.100 120.300 -0.155 0.000 2.458 730 Y HA 0.116 4.665 4.550 -0.001 0.000 0.256 730 Y C 0.620 176.488 175.900 -0.053 0.000 1.159 730 Y CA -0.651 57.403 58.100 -0.077 0.000 1.261 730 Y CB 0.227 38.673 38.460 -0.023 0.000 1.119 730 Y HN 0.033 nan 8.280 nan 0.000 0.524 731 D N 0.241 120.652 120.400 0.019 0.000 2.383 731 D HA -0.038 4.601 4.640 -0.001 0.000 0.252 731 D C 1.458 177.737 176.300 -0.034 0.000 1.166 731 D CA 0.519 54.526 54.000 0.012 0.000 0.879 731 D CB 1.357 42.165 40.800 0.013 0.000 1.164 731 D HN 0.229 nan 8.370 nan 0.000 0.462 732 T N 2.175 116.738 114.554 0.015 0.000 2.812 732 T HA -0.111 4.238 4.350 -0.001 0.000 0.264 732 T C 1.482 176.175 174.700 -0.012 0.000 1.042 732 T CA 1.238 63.344 62.100 0.010 0.000 1.140 732 T CB 0.017 68.912 68.868 0.044 0.000 0.870 732 T HN 0.324 nan 8.240 nan 0.000 0.445 733 K N 0.750 121.148 120.400 -0.003 0.000 1.991 733 K HA 0.138 4.458 4.320 -0.001 0.000 0.208 733 K C 2.114 178.706 176.600 -0.013 0.000 1.038 733 K CA 1.565 57.850 56.287 -0.003 0.000 0.943 733 K CB -0.066 32.439 32.500 0.007 0.000 0.736 733 K HN 0.226 nan 8.250 nan 0.000 0.440 734 N N -0.235 118.463 118.700 -0.003 0.000 2.282 734 N HA 0.074 4.814 4.740 -0.001 0.000 0.185 734 N C 0.472 175.987 175.510 0.008 0.000 1.099 734 N CA 0.269 53.326 53.050 0.012 0.000 0.878 734 N CB 0.544 39.053 38.487 0.036 0.000 0.993 734 N HN 0.186 nan 8.380 nan 0.000 0.481 735 G N 0.352 109.112 108.800 -0.066 0.000 2.516 735 G HA2 0.305 4.265 3.960 -0.001 0.000 0.276 735 G HA3 0.305 4.265 3.960 -0.001 0.000 0.276 735 G C 0.633 175.227 174.900 -0.510 0.000 1.390 735 G CA -0.447 44.485 45.100 -0.280 0.000 1.050 735 G HN 0.261 nan 8.290 nan 0.000 0.519 736 L N -2.040 118.649 121.223 -0.889 0.000 2.818 736 L HA 0.452 4.792 4.340 -0.001 0.000 0.243 736 L C 1.166 177.617 176.870 -0.697 0.000 1.185 736 L CA 0.370 54.705 54.840 -0.841 0.000 0.988 736 L CB -0.280 41.050 42.059 -1.215 0.000 1.292 736 L HN 0.852 nan 8.230 nan 0.000 0.519 737 G N 0.666 109.203 108.800 -0.439 0.000 2.441 737 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.298 737 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.298 737 G C -0.095 174.735 174.900 -0.117 0.000 0.949 737 G CA 0.469 45.445 45.100 -0.206 0.000 1.072 737 G HN 0.550 nan 8.290 nan 0.000 0.512 738 W N -0.748 120.261 121.300 -0.485 0.000 2.169 738 W HA 0.712 5.372 4.660 -0.001 0.000 0.447 738 W C 0.384 176.432 176.519 -0.785 0.000 1.829 738 W CA -0.953 56.012 57.345 -0.634 0.000 2.025 738 W CB 0.573 29.597 29.460 -0.727 0.000 1.542 738 W HN 0.151 nan 8.180 nan 0.000 0.727 739 D N -0.000 120.167 120.400 -0.388 0.000 2.934 739 D HA 0.313 4.952 4.640 -0.001 0.000 0.230 739 D C -1.274 174.938 176.300 -0.146 0.000 1.204 739 D CA -0.409 53.251 54.000 -0.567 0.000 0.873 739 D CB 1.506 41.937 40.800 -0.615 0.000 1.645 739 D HN 0.119 nan 8.370 nan 0.000 0.502 740 L N 2.999 124.197 121.223 -0.042 0.000 2.349 740 L HA 0.264 4.603 4.340 -0.001 0.000 0.275 740 L C 0.937 177.863 176.870 0.094 0.000 1.115 740 L CA -0.340 54.564 54.840 0.106 0.000 0.820 740 L CB 1.106 43.276 42.059 0.186 0.000 1.135 740 L HN 0.420 nan 8.230 nan 0.000 0.445 741 D N 1.269 121.726 120.400 0.095 0.000 2.463 741 D HA 0.080 4.720 4.640 -0.001 0.000 0.237 741 D C -0.458 175.742 176.300 -0.166 0.000 1.013 741 D CA 0.989 54.978 54.000 -0.018 0.000 0.910 741 D CB 0.545 41.368 40.800 0.039 0.000 1.080 741 D HN 0.292 nan 8.370 nan 0.000 0.498 742 Y N -0.208 120.109 120.300 0.028 0.000 2.499 742 Y HA 0.521 5.071 4.550 -0.001 0.000 0.347 742 Y C -0.334 175.585 175.900 0.031 0.000 0.987 742 Y CA -1.012 57.101 58.100 0.022 0.000 1.044 742 Y CB 2.628 41.067 38.460 -0.036 0.000 1.245 742 Y HN -0.430 nan 8.280 nan 0.000 0.461 743 V N 3.482 123.507 119.914 0.185 0.000 2.482 743 V HA 0.372 4.491 4.120 -0.001 0.000 0.295 743 V C -1.089 175.087 176.094 0.137 0.000 1.026 743 V CA -0.790 61.587 62.300 0.128 0.000 0.856 743 V CB 1.819 33.696 31.823 0.090 0.000 1.001 743 V HN 0.556 nan 8.190 nan 0.000 0.424 744 V N 7.731 127.724 119.914 0.132 0.000 2.250 744 V HA 0.319 4.438 4.120 -0.001 0.000 0.268 744 V C -2.396 173.887 176.094 0.314 0.000 1.043 744 V CA -1.526 60.901 62.300 0.212 0.000 0.814 744 V CB 1.480 33.344 31.823 0.068 0.000 1.072 744 V HN 0.730 nan 8.190 nan 0.000 0.451 745 P HA 0.283 nan 4.420 nan 0.000 0.225 745 P C -0.003 177.393 177.300 0.160 0.000 1.813 745 P CA -0.085 63.113 63.100 0.164 0.000 1.013 745 P CB -0.258 31.463 31.700 0.035 0.000 1.961 746 F N 0.534 120.490 119.950 0.010 0.000 2.701 746 F HA 0.311 4.837 4.527 -0.001 0.000 0.295 746 F C 1.395 177.212 175.800 0.028 0.000 1.165 746 F CA -0.950 57.058 58.000 0.014 0.000 1.399 746 F CB -0.694 38.311 39.000 0.008 0.000 0.996 746 F HN 0.085 nan 8.300 nan 0.000 0.513 747 A N 1.148 124.066 122.820 0.163 0.000 2.524 747 A HA 0.587 4.906 4.320 -0.001 0.000 0.250 747 A C 0.333 177.963 177.584 0.077 0.000 1.078 747 A CA 0.549 52.661 52.037 0.125 0.000 0.761 747 A CB -0.342 18.735 19.000 0.129 0.000 1.012 747 A HN 0.404 nan 8.150 nan 0.000 0.500 748 A N 2.651 125.508 122.820 0.062 0.000 2.589 748 A HA 0.704 5.023 4.320 -0.001 0.000 0.296 748 A C -0.904 176.682 177.584 0.005 0.000 1.062 748 A CA -0.423 51.632 52.037 0.030 0.000 0.686 748 A CB 0.987 19.996 19.000 0.016 0.000 1.282 748 A HN 0.769 nan 8.150 nan 0.000 0.404 749 I N 1.798 122.362 120.570 -0.010 0.000 2.465 749 I HA 0.367 4.537 4.170 -0.001 0.000 0.291 749 I C -2.355 173.720 176.117 -0.069 0.000 1.014 749 I CA -2.205 59.078 61.300 -0.028 0.000 1.093 749 I CB 2.598 40.593 38.000 -0.009 0.000 1.267 749 I HN 0.370 nan 8.210 nan 0.000 0.431 750 P HA 0.063 nan 4.420 nan 0.000 0.263 750 P C -0.094 177.151 177.300 -0.091 0.000 1.276 750 P CA 0.024 63.052 63.100 -0.119 0.000 0.986 750 P CB 0.054 31.699 31.700 -0.093 0.000 1.105 751 E N 1.118 121.254 120.200 -0.107 0.000 2.465 751 E HA -0.014 4.335 4.350 -0.001 0.000 0.191 751 E C 0.377 176.943 176.600 -0.057 0.000 1.053 751 E CA -0.531 55.837 56.400 -0.053 0.000 0.869 751 E CB -0.259 29.433 29.700 -0.013 0.000 0.977 751 E HN 0.276 nan 8.360 nan 0.000 0.483 752 N N 1.770 120.413 118.700 -0.095 0.000 1.935 752 N HA -0.171 4.568 4.740 -0.001 0.000 0.304 752 N C 0.808 176.293 175.510 -0.040 0.000 1.286 752 N CA 1.880 54.881 53.050 -0.080 0.000 0.798 752 N CB 0.253 38.682 38.487 -0.096 0.000 1.028 752 N HN 0.378 nan 8.380 nan 0.000 0.494 753 G N 2.648 111.433 108.800 -0.024 0.000 2.205 753 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.180 753 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.180 753 G C -0.466 174.436 174.900 0.002 0.000 1.004 753 G CA 0.048 45.142 45.100 -0.009 0.000 0.670 753 G HN 0.888 nan 8.290 nan 0.000 0.496 754 R N 0.614 121.118 120.500 0.006 0.000 2.575 754 R HA 0.721 5.060 4.340 -0.001 0.000 0.293 754 R C -0.612 175.699 176.300 0.018 0.000 0.983 754 R CA -0.938 55.169 56.100 0.012 0.000 0.887 754 R CB 1.904 32.211 30.300 0.012 0.000 1.184 754 R HN 0.291 nan 8.270 nan 0.000 0.445 755 E N 1.771 121.981 120.200 0.017 0.000 2.330 755 E HA 0.154 4.503 4.350 -0.001 0.000 0.256 755 E C 1.177 177.785 176.600 0.013 0.000 1.146 755 E CA -0.663 55.748 56.400 0.018 0.000 0.945 755 E CB 1.218 30.927 29.700 0.017 0.000 1.182 755 E HN 0.723 nan 8.360 nan 0.000 0.480 756 I N -1.441 119.136 120.570 0.011 0.000 2.657 756 I HA -0.239 3.930 4.170 -0.001 0.000 0.261 756 I C 1.534 177.653 176.117 0.003 0.000 1.212 756 I CA 1.223 62.526 61.300 0.005 0.000 1.453 756 I CB -0.185 37.817 38.000 0.003 0.000 1.092 756 I HN 0.434 nan 8.210 nan 0.000 0.452 757 D N 2.547 122.951 120.400 0.005 0.000 2.200 757 D HA -0.217 4.422 4.640 -0.001 0.000 0.192 757 D C 0.551 176.852 176.300 0.002 0.000 1.008 757 D CA 1.978 55.981 54.000 0.004 0.000 0.872 757 D CB 0.003 40.806 40.800 0.006 0.000 0.923 757 D HN 0.681 nan 8.370 nan 0.000 0.447 758 S N -0.669 115.034 115.700 0.004 0.000 2.387 758 S HA 0.375 4.844 4.470 -0.001 0.000 0.211 758 S C -0.593 174.011 174.600 0.007 0.000 1.055 758 S CA -0.873 57.328 58.200 0.003 0.000 1.133 758 S CB 0.085 63.288 63.200 0.004 0.000 1.235 758 S HN 0.010 nan 8.310 nan 0.000 0.425 759 I N 4.482 125.055 120.570 0.005 0.000 2.293 759 I HA 0.193 4.363 4.170 -0.001 0.000 0.299 759 I C 0.708 176.833 176.117 0.013 0.000 1.153 759 I CA -0.035 61.272 61.300 0.011 0.000 1.302 759 I CB -0.256 37.749 38.000 0.009 0.000 1.460 759 I HN 0.687 nan 8.210 nan 0.000 0.552 760 D N 2.823 123.236 120.400 0.022 0.000 2.380 760 D HA 0.021 4.660 4.640 -0.001 0.000 0.254 760 D C 1.466 177.793 176.300 0.045 0.000 1.288 760 D CA -0.181 53.834 54.000 0.025 0.000 1.008 760 D CB 0.280 41.096 40.800 0.028 0.000 1.099 760 D HN 0.239 nan 8.370 nan 0.000 0.537 761 S N -0.579 115.155 115.700 0.057 0.000 2.359 761 S HA -0.316 4.153 4.470 -0.001 0.000 0.222 761 S C 1.773 176.465 174.600 0.153 0.000 1.038 761 S CA 2.316 60.582 58.200 0.111 0.000 1.051 761 S CB -0.544 62.732 63.200 0.127 0.000 0.944 761 S HN 0.584 nan 8.310 nan 0.000 0.433 762 K N 0.237 120.701 120.400 0.107 0.000 2.077 762 K HA -0.147 4.173 4.320 -0.001 0.000 0.213 762 K C 2.253 178.914 176.600 0.103 0.000 1.051 762 K CA 1.977 58.318 56.287 0.091 0.000 0.929 762 K CB -0.468 32.062 32.500 0.050 0.000 0.715 762 K HN 0.452 nan 8.250 nan 0.000 0.451 763 S N 0.579 116.335 115.700 0.093 0.000 2.353 763 S HA -0.210 4.260 4.470 -0.001 0.000 0.222 763 S C 1.838 176.532 174.600 0.158 0.000 1.035 763 S CA 1.665 59.925 58.200 0.100 0.000 1.025 763 S CB -0.378 62.864 63.200 0.071 0.000 0.902 763 S HN 0.462 nan 8.310 nan 0.000 0.440 764 E N 0.693 120.995 120.200 0.170 0.000 2.097 764 E HA -0.206 4.144 4.350 -0.001 0.000 0.196 764 E C 2.059 178.848 176.600 0.315 0.000 1.000 764 E CA 1.146 57.682 56.400 0.227 0.000 0.804 764 E CB -0.208 29.577 29.700 0.143 0.000 0.740 764 E HN 0.323 nan 8.360 nan 0.000 0.454 765 L N 0.913 122.342 121.223 0.343 0.000 1.976 765 L HA -0.122 4.217 4.340 -0.001 0.000 0.209 765 L C 2.293 179.222 176.870 0.098 0.000 1.071 765 L CA 2.490 57.442 54.840 0.186 0.000 0.746 765 L CB -1.201 40.897 42.059 0.065 0.000 0.890 765 L HN 0.164 nan 8.230 nan 0.000 0.432 766 A N -1.209 121.677 122.820 0.109 0.000 1.903 766 A HA -0.357 3.962 4.320 -0.001 0.000 0.219 766 A C 2.471 180.147 177.584 0.153 0.000 1.191 766 A CA 2.110 54.206 52.037 0.098 0.000 0.638 766 A CB -1.415 17.640 19.000 0.092 0.000 0.823 766 A HN 0.818 nan 8.150 nan 0.000 0.451 767 H N -1.175 117.938 119.070 0.072 0.000 2.491 767 H HA -0.034 4.522 4.556 -0.001 0.000 0.290 767 H C 2.298 177.658 175.328 0.054 0.000 1.050 767 H CA 1.158 57.244 56.048 0.063 0.000 1.309 767 H CB 0.028 29.828 29.762 0.064 0.000 1.392 767 H HN 0.518 nan 8.280 nan 0.000 0.554 768 R N 0.423 120.925 120.500 0.003 0.000 2.127 768 R HA -0.009 4.330 4.340 -0.001 0.000 0.217 768 R C 2.216 178.485 176.300 -0.051 0.000 1.074 768 R CA 0.779 56.836 56.100 -0.071 0.000 0.991 768 R CB 0.126 30.436 30.300 0.016 0.000 0.895 768 R HN 0.336 nan 8.270 nan 0.000 0.450 769 I N 0.127 120.687 120.570 -0.016 0.000 2.286 769 I HA -0.222 3.947 4.170 -0.001 0.000 0.245 769 I C 2.148 178.274 176.117 0.015 0.000 1.104 769 I CA 1.243 62.536 61.300 -0.012 0.000 1.397 769 I CB -0.091 37.906 38.000 -0.005 0.000 1.072 769 I HN 0.232 nan 8.210 nan 0.000 0.417 770 M N -0.533 119.094 119.600 0.046 0.000 2.447 770 M HA -0.072 4.407 4.480 -0.001 0.000 0.264 770 M C 1.700 178.021 176.300 0.036 0.000 1.095 770 M CA 1.295 56.629 55.300 0.057 0.000 1.125 770 M CB 0.313 32.980 32.600 0.112 0.000 1.389 770 M HN 0.238 nan 8.290 nan 0.000 0.459 771 L N -1.850 119.385 121.223 0.019 0.000 2.862 771 L HA 0.172 4.512 4.340 -0.001 0.000 0.169 771 L C 2.090 178.912 176.870 -0.081 0.000 1.164 771 L CA 1.100 55.928 54.840 -0.020 0.000 0.858 771 L CB -0.891 41.195 42.059 0.045 0.000 1.329 771 L HN 0.167 nan 8.230 nan 0.000 0.514 772 T N -0.663 113.804 114.554 -0.145 0.000 2.720 772 T HA -0.117 4.232 4.350 -0.001 0.000 0.268 772 T C 1.532 176.184 174.700 -0.081 0.000 1.037 772 T CA 1.878 63.907 62.100 -0.118 0.000 1.144 772 T CB -0.603 68.185 68.868 -0.133 0.000 0.864 772 T HN 0.287 nan 8.240 nan 0.000 0.444 773 N N 0.626 119.287 118.700 -0.066 0.000 2.424 773 N HA 0.246 4.986 4.740 -0.001 0.000 0.178 773 N C 1.662 177.156 175.510 -0.027 0.000 1.060 773 N CA 0.120 53.144 53.050 -0.043 0.000 0.901 773 N CB -0.362 38.103 38.487 -0.036 0.000 0.979 773 N HN 0.319 nan 8.380 nan 0.000 0.451 774 L N 0.428 121.630 121.223 -0.034 0.000 2.017 774 L HA -0.052 4.287 4.340 -0.001 0.000 0.208 774 L C 1.854 178.679 176.870 -0.076 0.000 1.073 774 L CA 1.020 55.838 54.840 -0.037 0.000 0.745 774 L CB -0.161 41.872 42.059 -0.043 0.000 0.894 774 L HN 0.112 nan 8.230 nan 0.000 0.432 775 L N -0.738 120.428 121.223 -0.096 0.000 2.083 775 L HA -0.238 4.102 4.340 -0.001 0.000 0.209 775 L C 2.761 179.539 176.870 -0.153 0.000 1.083 775 L CA 1.232 55.987 54.840 -0.141 0.000 0.752 775 L CB -0.440 41.542 42.059 -0.127 0.000 0.899 775 L HN 0.245 nan 8.230 nan 0.000 0.433 776 R N -0.472 119.962 120.500 -0.109 0.000 2.148 776 R HA -0.100 4.239 4.340 -0.001 0.000 0.223 776 R C 2.258 178.498 176.300 -0.099 0.000 1.088 776 R CA 0.827 56.865 56.100 -0.104 0.000 0.985 776 R CB -0.182 30.074 30.300 -0.074 0.000 0.880 776 R HN 0.353 nan 8.270 nan 0.000 0.451 777 L N 0.978 122.157 121.223 -0.075 0.000 2.005 777 L HA -0.186 4.153 4.340 -0.001 0.000 0.207 777 L C 2.111 178.921 176.870 -0.100 0.000 1.072 777 L CA 1.361 56.163 54.840 -0.063 0.000 0.744 777 L CB -0.204 41.838 42.059 -0.027 0.000 0.895 777 L HN 0.175 nan 8.230 nan 0.000 0.433 778 L N -0.606 120.543 121.223 -0.123 0.000 1.989 778 L HA -0.195 4.145 4.340 -0.001 0.000 0.211 778 L C 2.670 179.414 176.870 -0.209 0.000 1.071 778 L CA 1.534 56.278 54.840 -0.160 0.000 0.749 778 L CB -1.621 40.301 42.059 -0.227 0.000 0.890 778 L HN 0.396 nan 8.230 nan 0.000 0.431 779 G N -0.307 108.346 108.800 -0.246 0.000 2.505 779 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.220 779 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.220 779 G C 1.744 176.523 174.900 -0.201 0.000 1.145 779 G CA 1.091 46.040 45.100 -0.252 0.000 0.761 779 G HN 0.506 nan 8.290 nan 0.000 0.571 780 A N 0.881 123.598 122.820 -0.171 0.000 1.873 780 A HA 0.083 4.402 4.320 -0.001 0.000 0.215 780 A C 2.407 179.852 177.584 -0.232 0.000 1.186 780 A CA 1.281 53.212 52.037 -0.175 0.000 0.616 780 A CB -0.345 18.570 19.000 -0.141 0.000 0.823 780 A HN 0.370 nan 8.150 nan 0.000 0.442 781 I N -0.176 120.270 120.570 -0.207 0.000 2.194 781 I HA -0.314 3.855 4.170 -0.001 0.000 0.246 781 I C 2.600 178.568 176.117 -0.249 0.000 1.093 781 I CA 1.897 63.054 61.300 -0.237 0.000 1.355 781 I CB -0.534 37.423 38.000 -0.070 0.000 1.046 781 I HN 0.371 nan 8.210 nan 0.000 0.413 782 K N 1.603 121.893 120.400 -0.183 0.000 1.969 782 K HA -0.217 4.102 4.320 -0.001 0.000 0.216 782 K C 2.123 178.525 176.600 -0.329 0.000 1.048 782 K CA 2.889 59.062 56.287 -0.191 0.000 0.948 782 K CB -0.738 31.665 32.500 -0.162 0.000 0.726 782 K HN 0.417 nan 8.250 nan 0.000 0.442 783 T N 0.973 115.352 114.554 -0.292 0.000 2.737 783 T HA -0.187 4.162 4.350 -0.001 0.000 0.269 783 T C 2.014 176.561 174.700 -0.254 0.000 1.040 783 T CA 1.167 63.106 62.100 -0.269 0.000 1.142 783 T CB -0.261 68.491 68.868 -0.194 0.000 0.861 783 T HN 0.216 nan 8.240 nan 0.000 0.456 784 Q N 1.604 121.216 119.800 -0.313 0.000 2.014 784 Q HA -0.094 4.246 4.340 -0.001 0.000 0.207 784 Q C 2.425 178.328 176.000 -0.161 0.000 0.993 784 Q CA 1.812 57.399 55.803 -0.360 0.000 0.850 784 Q CB -0.369 27.837 28.738 -0.887 0.000 0.916 784 Q HN 0.637 nan 8.270 nan 0.000 0.417 785 K N 0.564 120.887 120.400 -0.128 0.000 2.032 785 K HA -0.188 4.132 4.320 -0.001 0.000 0.209 785 K C 2.165 178.825 176.600 0.100 0.000 1.048 785 K CA 1.483 57.891 56.287 0.202 0.000 0.927 785 K CB -0.211 32.453 32.500 0.274 0.000 0.712 785 K HN 0.078 nan 8.250 nan 0.000 0.441 786 K N 1.455 121.705 120.400 -0.251 0.000 2.074 786 K HA -0.235 4.084 4.320 -0.001 0.000 0.209 786 K C 1.813 178.373 176.600 -0.067 0.000 1.048 786 K CA 1.876 57.991 56.287 -0.287 0.000 0.926 786 K CB 0.068 32.259 32.500 -0.516 0.000 0.713 786 K HN 0.193 nan 8.250 nan 0.000 0.444 787 E N -0.147 120.010 120.200 -0.070 0.000 2.072 787 E HA -0.121 4.228 4.350 -0.001 0.000 0.190 787 E C 1.742 178.338 176.600 -0.006 0.000 0.982 787 E CA 0.863 57.243 56.400 -0.033 0.000 0.803 787 E CB 0.071 29.746 29.700 -0.041 0.000 0.755 787 E HN 0.263 nan 8.360 nan 0.000 0.453 788 R N -0.028 120.494 120.500 0.036 0.000 2.325 788 R HA 0.073 4.413 4.340 -0.001 0.000 0.214 788 R C 0.956 177.118 176.300 -0.230 0.000 0.961 788 R CA 0.462 56.541 56.100 -0.035 0.000 1.086 788 R CB 0.218 30.619 30.300 0.168 0.000 1.037 788 R HN 0.253 nan 8.270 nan 0.000 0.493 789 G N 0.685 109.445 108.800 -0.067 0.000 2.166 789 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.260 789 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.260 789 G C -0.280 174.607 174.900 -0.022 0.000 0.986 789 G CA 0.009 45.079 45.100 -0.050 0.000 0.683 789 G HN 0.384 nan 8.290 nan 0.000 0.527 790 Y N 1.330 121.727 120.300 0.162 0.000 2.576 790 Y HA 0.307 4.856 4.550 -0.001 0.000 0.348 790 Y C 1.635 177.671 175.900 0.227 0.000 1.212 790 Y CA 0.096 58.306 58.100 0.184 0.000 1.683 790 Y CB 0.285 38.878 38.460 0.223 0.000 1.484 790 Y HN 0.239 nan 8.280 nan 0.000 0.477 791 E N 0.493 120.849 120.200 0.261 0.000 2.110 791 E HA -0.039 4.310 4.350 -0.001 0.000 0.193 791 E C 1.456 178.089 176.600 0.056 0.000 0.950 791 E CA 1.120 57.608 56.400 0.146 0.000 0.840 791 E CB -0.018 29.731 29.700 0.082 0.000 0.809 791 E HN 0.529 nan 8.360 nan 0.000 0.465 792 T N -0.265 114.340 114.554 0.085 0.000 3.393 792 T HA 0.248 4.598 4.350 -0.001 0.000 0.248 792 T C 0.677 175.422 174.700 0.075 0.000 0.992 792 T CA -0.169 61.964 62.100 0.056 0.000 0.929 792 T CB -0.067 68.835 68.868 0.055 0.000 1.065 792 T HN -0.173 nan 8.240 nan 0.000 0.597 793 R N 1.689 122.250 120.500 0.102 0.000 2.855 793 R HA 0.311 4.650 4.340 -0.001 0.000 0.261 793 R C -3.317 173.044 176.300 0.102 0.000 1.826 793 R CA -1.439 54.717 56.100 0.094 0.000 1.435 793 R CB 1.289 31.654 30.300 0.108 0.000 1.383 793 R HN 0.221 nan 8.270 nan 0.000 0.583 794 P HA 0.164 nan 4.420 nan 0.000 0.272 794 P C -1.076 176.272 177.300 0.080 0.000 1.230 794 P CA -0.245 62.919 63.100 0.107 0.000 0.788 794 P CB 1.015 32.780 31.700 0.108 0.000 0.949 795 A N 1.757 124.647 122.820 0.117 0.000 2.288 795 A HA 0.328 4.647 4.320 -0.001 0.000 0.320 795 A C -0.231 177.389 177.584 0.059 0.000 1.217 795 A CA -0.569 51.508 52.037 0.066 0.000 0.840 795 A CB 0.294 19.364 19.000 0.117 0.000 1.179 795 A HN 0.542 nan 8.150 nan 0.000 0.504 796 Q N 2.190 121.957 119.800 -0.055 0.000 2.288 796 Q HA 0.467 4.806 4.340 -0.001 0.000 0.258 796 Q C -1.284 174.744 176.000 0.047 0.000 0.957 796 Q CA -0.224 55.563 55.803 -0.026 0.000 0.919 796 Q CB 0.877 29.524 28.738 -0.152 0.000 1.185 796 Q HN 0.520 nan 8.270 nan 0.000 0.408 797 V N 6.401 126.363 119.914 0.080 0.000 2.294 797 V HA 0.189 4.308 4.120 -0.001 0.000 0.272 797 V C 0.142 176.268 176.094 0.054 0.000 1.027 797 V CA -0.678 61.668 62.300 0.078 0.000 0.823 797 V CB 0.994 32.861 31.823 0.073 0.000 1.030 797 V HN 0.734 nan 8.190 nan 0.000 0.457 798 I N 5.366 125.990 120.570 0.091 0.000 2.382 798 I HA 0.076 4.245 4.170 -0.001 0.000 0.297 798 I C 0.527 176.650 176.117 0.011 0.000 1.172 798 I CA -0.012 61.340 61.300 0.086 0.000 1.825 798 I CB -0.443 37.674 38.000 0.194 0.000 1.509 798 I HN 0.395 nan 8.210 nan 0.000 0.842 799 L N 6.895 128.062 121.223 -0.095 0.000 2.654 799 L HA 0.035 4.375 4.340 -0.001 0.000 0.271 799 L C -1.845 174.862 176.870 -0.271 0.000 1.169 799 L CA -0.640 54.078 54.840 -0.203 0.000 0.947 799 L CB -0.068 41.818 42.059 -0.288 0.000 1.232 799 L HN 0.171 nan 8.230 nan 0.000 0.486 800 P HA 0.213 nan 4.420 nan 0.000 0.260 800 P C -0.313 176.792 177.300 -0.324 0.000 1.651 800 P CA -0.113 62.714 63.100 -0.455 0.000 1.139 800 P CB 0.254 31.451 31.700 -0.838 0.000 1.756 801 L N 0.555 121.605 121.223 -0.287 0.000 2.469 801 L HA 0.635 4.974 4.340 -0.001 0.000 0.253 801 L C 0.887 177.641 176.870 -0.195 0.000 1.143 801 L CA -0.577 54.117 54.840 -0.244 0.000 0.804 801 L CB 0.512 42.403 42.059 -0.280 0.000 1.214 801 L HN 0.168 nan 8.230 nan 0.000 0.476 802 S N -1.352 114.245 115.700 -0.172 0.000 2.568 802 S HA 0.542 5.012 4.470 -0.001 0.000 0.293 802 S C -2.207 172.230 174.600 -0.271 0.000 1.089 802 S CA -1.339 56.743 58.200 -0.196 0.000 0.945 802 S CB 1.846 64.901 63.200 -0.241 0.000 1.077 802 S HN 0.345 nan 8.310 nan 0.000 0.485 803 P HA 0.171 nan 4.420 nan 0.000 0.227 803 P C -0.493 176.607 177.300 -0.334 0.000 1.161 803 P CA 0.515 63.509 63.100 -0.177 0.000 0.788 803 P CB 0.063 31.751 31.700 -0.019 0.000 0.822 804 N N 0.637 119.138 118.700 -0.333 0.000 2.936 804 N HA 0.084 4.823 4.740 -0.001 0.000 0.243 804 N C -0.485 174.904 175.510 -0.202 0.000 1.149 804 N CA -0.212 52.749 53.050 -0.149 0.000 0.914 804 N CB -0.068 38.516 38.487 0.161 0.000 1.179 804 N HN 0.237 nan 8.380 nan 0.000 0.502 805 H N 0.644 119.735 119.070 0.035 0.000 2.998 805 H HA 0.194 4.749 4.556 -0.001 0.000 0.241 805 H C 1.247 176.588 175.328 0.022 0.000 1.852 805 H CA 0.003 56.048 56.048 -0.005 0.000 1.419 805 H CB -0.261 29.498 29.762 -0.005 0.000 1.793 805 H HN 0.752 nan 8.280 nan 0.000 0.553 806 G N 2.128 110.998 108.800 0.116 0.000 2.137 806 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.237 806 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.237 806 G C 1.341 176.298 174.900 0.095 0.000 1.002 806 G CA 0.686 45.849 45.100 0.106 0.000 0.702 806 G HN 0.600 nan 8.290 nan 0.000 0.515 807 T N -2.650 111.969 114.554 0.109 0.000 2.942 807 T HA 0.378 4.728 4.350 -0.001 0.000 0.265 807 T C 1.081 175.732 174.700 -0.081 0.000 1.062 807 T CA 0.745 62.852 62.100 0.012 0.000 1.139 807 T CB 0.048 68.915 68.868 -0.001 0.000 0.883 807 T HN 0.284 nan 8.240 nan 0.000 0.468 808 F N 1.655 121.607 119.950 0.002 0.000 2.378 808 F HA 0.654 5.180 4.527 -0.001 0.000 0.325 808 F C 1.324 177.128 175.800 0.006 0.000 1.097 808 F CA -0.763 57.235 58.000 -0.003 0.000 1.079 808 F CB 0.878 39.867 39.000 -0.017 0.000 1.240 808 F HN 0.200 nan 8.300 nan 0.000 0.519 809 G N 0.403 109.313 108.800 0.183 0.000 2.477 809 G HA2 0.343 4.303 3.960 -0.001 0.000 0.304 809 G HA3 0.343 4.303 3.960 -0.001 0.000 0.304 809 G C -0.247 174.715 174.900 0.103 0.000 1.175 809 G CA -0.602 44.562 45.100 0.108 0.000 0.907 809 G HN 0.742 nan 8.290 nan 0.000 0.509 810 N N -0.574 118.166 118.700 0.067 0.000 2.878 810 N HA -0.168 4.571 4.740 -0.001 0.000 0.247 810 N C 0.785 176.322 175.510 0.045 0.000 1.021 810 N CA 1.316 54.393 53.050 0.045 0.000 0.873 810 N CB -0.842 37.663 38.487 0.029 0.000 1.128 810 N HN 0.612 nan 8.380 nan 0.000 0.571 811 D N 0.487 120.936 120.400 0.082 0.000 2.149 811 D HA -0.007 4.633 4.640 -0.001 0.000 0.194 811 D C 1.464 177.821 176.300 0.094 0.000 1.001 811 D CA 1.982 56.055 54.000 0.122 0.000 0.849 811 D CB -0.670 40.246 40.800 0.194 0.000 0.939 811 D HN 0.643 nan 8.370 nan 0.000 0.449 812 G N 1.078 109.916 108.800 0.063 0.000 2.331 812 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.254 812 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.254 812 G C 0.547 175.475 174.900 0.047 0.000 0.879 812 G CA 0.161 45.285 45.100 0.041 0.000 1.287 812 G HN 0.368 nan 8.290 nan 0.000 0.383 813 L N -1.296 119.935 121.223 0.013 0.000 4.884 813 L HA -0.287 4.052 4.340 -0.001 0.000 0.430 813 L C 1.820 178.682 176.870 -0.015 0.000 1.087 813 L CA 2.569 57.376 54.840 -0.054 0.000 1.033 813 L CB -2.012 40.024 42.059 -0.038 0.000 2.030 813 L HN 0.897 nan 8.230 nan 0.000 0.762 814 Y N 1.519 121.775 120.300 -0.074 0.000 2.117 814 Y HA -0.184 4.365 4.550 -0.001 0.000 0.277 814 Y C 2.467 178.331 175.900 -0.061 0.000 1.104 814 Y CA 2.343 60.406 58.100 -0.062 0.000 1.089 814 Y CB -0.746 37.680 38.460 -0.057 0.000 0.999 814 Y HN 0.327 nan 8.280 nan 0.000 0.480 815 S N 0.506 116.019 115.700 -0.311 0.000 2.381 815 S HA -0.329 4.140 4.470 -0.001 0.000 0.230 815 S C 1.699 176.167 174.600 -0.221 0.000 1.052 815 S CA 1.839 59.833 58.200 -0.345 0.000 1.068 815 S CB -0.866 62.281 63.200 -0.088 0.000 0.918 815 S HN 0.547 nan 8.310 nan 0.000 0.448 816 E N 1.782 121.879 120.200 -0.173 0.000 2.130 816 E HA -0.085 4.264 4.350 -0.001 0.000 0.196 816 E C 2.420 178.907 176.600 -0.189 0.000 0.998 816 E CA 1.521 57.812 56.400 -0.181 0.000 0.806 816 E CB -0.536 29.014 29.700 -0.250 0.000 0.738 816 E HN 0.685 nan 8.360 nan 0.000 0.459 817 S N 0.467 116.039 115.700 -0.213 0.000 2.345 817 S HA -0.076 4.393 4.470 -0.001 0.000 0.219 817 S C 1.714 176.265 174.600 -0.081 0.000 1.031 817 S CA 0.800 58.978 58.200 -0.037 0.000 0.984 817 S CB -0.128 63.130 63.200 0.096 0.000 0.874 817 S HN 0.082 nan 8.310 nan 0.000 0.451 818 K N 1.227 121.502 120.400 -0.208 0.000 2.147 818 K HA 0.048 4.367 4.320 -0.001 0.000 0.205 818 K C 2.096 178.633 176.600 -0.105 0.000 1.049 818 K CA 0.684 56.842 56.287 -0.214 0.000 0.936 818 K CB -0.789 31.468 32.500 -0.405 0.000 0.722 818 K HN 0.301 nan 8.250 nan 0.000 0.446 819 L N 0.882 122.070 121.223 -0.058 0.000 2.044 819 L HA -0.028 4.312 4.340 -0.001 0.000 0.205 819 L C 2.186 179.014 176.870 -0.070 0.000 1.075 819 L CA 1.781 56.582 54.840 -0.065 0.000 0.747 819 L CB -0.672 41.314 42.059 -0.121 0.000 0.903 819 L HN 0.115 nan 8.230 nan 0.000 0.435 820 A N -0.346 122.446 122.820 -0.046 0.000 1.978 820 A HA -0.203 4.116 4.320 -0.001 0.000 0.220 820 A C 2.280 179.845 177.584 -0.032 0.000 1.170 820 A CA 1.957 53.987 52.037 -0.012 0.000 0.636 820 A CB -1.022 18.000 19.000 0.037 0.000 0.810 820 A HN 0.527 nan 8.150 nan 0.000 0.448 821 L N -0.506 120.673 121.223 -0.073 0.000 2.129 821 L HA -0.243 4.097 4.340 -0.001 0.000 0.212 821 L C 2.334 179.092 176.870 -0.187 0.000 1.087 821 L CA 1.693 56.456 54.840 -0.129 0.000 0.757 821 L CB -0.553 41.400 42.059 -0.177 0.000 0.896 821 L HN 0.522 nan 8.230 nan 0.000 0.434 822 E N -0.793 119.306 120.200 -0.167 0.000 2.472 822 E HA -0.149 4.200 4.350 -0.001 0.000 0.200 822 E C 1.912 178.522 176.600 0.018 0.000 1.046 822 E CA 1.290 57.573 56.400 -0.194 0.000 0.871 822 E CB -0.059 29.652 29.700 0.018 0.000 0.806 822 E HN 0.624 nan 8.360 nan 0.000 0.533 823 T N -0.724 113.857 114.554 0.045 0.000 2.962 823 T HA -0.074 4.276 4.350 -0.001 0.000 0.270 823 T C 1.923 176.726 174.700 0.172 0.000 1.088 823 T CA 0.388 62.569 62.100 0.134 0.000 1.127 823 T CB -0.205 68.725 68.868 0.103 0.000 0.883 823 T HN 0.094 nan 8.240 nan 0.000 0.493 824 L N -0.502 120.770 121.223 0.081 0.000 2.079 824 L HA 0.033 4.372 4.340 -0.001 0.000 0.210 824 L C 2.486 179.515 176.870 0.265 0.000 1.081 824 L CA 1.452 56.401 54.840 0.181 0.000 0.752 824 L CB -0.695 41.384 42.059 0.033 0.000 0.896 824 L HN 0.220 nan 8.230 nan 0.000 0.433 825 F N 0.334 120.394 119.950 0.184 0.000 2.115 825 F HA -0.347 4.179 4.527 -0.001 0.000 0.300 825 F C 2.179 178.090 175.800 0.186 0.000 1.092 825 F CA 1.626 59.737 58.000 0.186 0.000 1.245 825 F CB -0.251 38.939 39.000 0.316 0.000 0.995 825 F HN 0.257 nan 8.300 nan 0.000 0.481 826 N N -0.566 118.402 118.700 0.447 0.000 2.305 826 N HA -0.005 4.734 4.740 -0.001 0.000 0.179 826 N C 1.529 177.212 175.510 0.288 0.000 1.019 826 N CA 0.408 53.693 53.050 0.392 0.000 0.869 826 N CB -0.212 38.476 38.487 0.336 0.000 1.000 826 N HN 0.022 nan 8.380 nan 0.000 0.431 827 R N -0.451 120.217 120.500 0.280 0.000 2.154 827 R HA -0.194 4.145 4.340 -0.001 0.000 0.248 827 R C 1.621 177.870 176.300 -0.085 0.000 1.155 827 R CA 1.396 57.657 56.100 0.268 0.000 0.979 827 R CB -0.406 30.232 30.300 0.563 0.000 0.869 827 R HN 0.411 nan 8.270 nan 0.000 0.452 828 W N 0.359 121.384 121.300 -0.458 0.000 2.331 828 W HA -0.253 4.406 4.660 -0.001 0.000 0.291 828 W C 1.276 177.376 176.519 -0.698 0.000 1.214 828 W CA 1.554 58.303 57.345 -0.993 0.000 1.228 828 W CB -0.166 28.856 29.460 -0.729 0.000 1.135 828 W HN 0.133 nan 8.180 nan 0.000 0.537 829 Y N -0.760 119.579 120.300 0.064 0.000 2.301 829 Y HA -0.150 4.399 4.550 -0.001 0.000 0.295 829 Y C 2.888 178.728 175.900 -0.099 0.000 1.119 829 Y CA 1.187 59.315 58.100 0.047 0.000 1.162 829 Y CB -0.713 37.835 38.460 0.147 0.000 1.046 829 Y HN -0.093 nan 8.280 nan 0.000 0.538 830 S N -0.451 115.299 115.700 0.083 0.000 2.371 830 S HA -0.020 4.449 4.470 -0.001 0.000 0.221 830 S C 0.655 175.245 174.600 -0.017 0.000 1.036 830 S CA 0.149 58.380 58.200 0.052 0.000 0.965 830 S CB -0.344 62.916 63.200 0.099 0.000 0.845 830 S HN 0.297 nan 8.310 nan 0.000 0.475 831 E N 1.392 121.551 120.200 -0.069 0.000 2.385 831 E HA 0.357 4.706 4.350 -0.001 0.000 0.254 831 E C 0.351 176.831 176.600 -0.201 0.000 1.228 831 E CA 0.161 56.548 56.400 -0.021 0.000 0.956 831 E CB 0.606 30.486 29.700 0.301 0.000 1.116 831 E HN 0.438 nan 8.360 nan 0.000 0.507 832 S N 0.530 116.229 115.700 -0.000 0.000 2.618 832 S HA 0.056 4.525 4.470 -0.001 0.000 0.242 832 S C 0.255 174.909 174.600 0.090 0.000 0.972 832 S CA -0.742 57.451 58.200 -0.012 0.000 1.004 832 S CB -0.156 63.086 63.200 0.070 0.000 0.778 832 S HN 0.652 nan 8.310 nan 0.000 0.459 833 W N -0.019 121.241 121.300 -0.066 0.000 3.123 833 W HA 0.519 5.178 4.660 -0.001 0.000 0.383 833 W C 0.989 177.388 176.519 -0.200 0.000 1.102 833 W CA -0.517 56.848 57.345 0.033 0.000 1.865 833 W CB -1.199 28.268 29.460 0.012 0.000 1.111 833 W HN 0.293 nan 8.180 nan 0.000 0.621 834 G N 3.112 111.457 108.800 -0.758 0.000 2.513 834 G HA2 -0.405 3.555 3.960 -0.001 0.000 0.219 834 G HA3 -0.405 3.555 3.960 -0.001 0.000 0.219 834 G C 1.482 175.958 174.900 -0.706 0.000 1.160 834 G CA 1.647 45.941 45.100 -1.343 0.000 0.767 834 G HN 0.157 nan 8.290 nan 0.000 0.571 835 N N -0.179 118.222 118.700 -0.498 0.000 2.188 835 N HA -0.035 4.704 4.740 -0.001 0.000 0.184 835 N C 1.886 177.182 175.510 -0.356 0.000 1.018 835 N CA 1.121 53.879 53.050 -0.488 0.000 0.858 835 N CB -0.309 37.702 38.487 -0.792 0.000 0.989 835 N HN 0.550 nan 8.380 nan 0.000 0.426 836 Y N -0.262 120.078 120.300 0.066 0.000 2.343 836 Y HA 0.236 4.785 4.550 -0.001 0.000 0.294 836 Y C 0.442 176.446 175.900 0.173 0.000 1.122 836 Y CA -0.107 58.066 58.100 0.122 0.000 1.173 836 Y CB 0.111 38.641 38.460 0.116 0.000 1.077 836 Y HN -0.110 nan 8.280 nan 0.000 0.542 837 L N 0.688 122.161 121.223 0.417 0.000 2.329 837 L HA 0.442 4.781 4.340 -0.001 0.000 0.279 837 L C 0.081 177.295 176.870 0.573 0.000 1.014 837 L CA -0.834 54.276 54.840 0.449 0.000 0.814 837 L CB 1.486 43.871 42.059 0.543 0.000 1.257 837 L HN 0.104 nan 8.230 nan 0.000 0.424 838 T N 1.119 115.962 114.554 0.481 0.000 2.885 838 T HA 0.768 5.118 4.350 -0.001 0.000 0.285 838 T C -0.201 174.668 174.700 0.282 0.000 1.019 838 T CA -0.632 61.776 62.100 0.513 0.000 1.010 838 T CB 1.234 70.256 68.868 0.256 0.000 1.022 838 T HN 0.304 nan 8.240 nan 0.000 0.466 839 I N 2.008 122.650 120.570 0.121 0.000 2.354 839 I HA 0.395 4.564 4.170 -0.001 0.000 0.292 839 I C -0.033 176.081 176.117 -0.005 0.000 0.989 839 I CA -0.883 60.462 61.300 0.075 0.000 1.188 839 I CB 1.563 39.629 38.000 0.109 0.000 1.342 839 I HN 0.821 nan 8.210 nan 0.000 0.457 840 C N 6.276 125.570 119.300 -0.009 0.000 2.621 840 C HA 0.538 4.997 4.460 -0.001 0.000 0.272 840 C C 0.921 175.863 174.990 -0.081 0.000 1.119 840 C CA -0.566 58.440 59.018 -0.020 0.000 1.593 840 C CB -0.989 26.744 27.740 -0.011 0.000 1.749 840 C HN 0.960 nan 8.230 nan 0.000 0.420 841 G N 3.620 112.371 108.800 -0.082 0.000 2.248 841 G HA2 0.442 4.402 3.960 -0.001 0.000 0.260 841 G HA3 0.442 4.402 3.960 -0.001 0.000 0.260 841 G C 0.270 174.984 174.900 -0.310 0.000 1.214 841 G CA 0.461 45.397 45.100 -0.273 0.000 0.979 841 G HN 1.471 nan 8.290 nan 0.000 0.454 842 A N 3.407 126.057 122.820 -0.284 0.000 2.536 842 A HA 0.475 4.794 4.320 -0.001 0.000 0.329 842 A C 0.083 177.527 177.584 -0.234 0.000 1.321 842 A CA -0.589 51.312 52.037 -0.227 0.000 0.804 842 A CB 1.236 20.167 19.000 -0.116 0.000 1.126 842 A HN 1.495 nan 8.150 nan 0.000 0.480 843 V N 5.735 125.488 119.914 -0.267 0.000 2.359 843 V HA 0.231 4.351 4.120 -0.001 0.000 0.248 843 V C 0.129 176.152 176.094 -0.119 0.000 1.091 843 V CA 0.081 62.269 62.300 -0.186 0.000 1.103 843 V CB -1.113 30.633 31.823 -0.128 0.000 1.176 843 V HN 0.562 nan 8.190 nan 0.000 0.488 844 I N 6.811 127.315 120.570 -0.110 0.000 2.648 844 I HA 0.383 4.552 4.170 -0.001 0.000 0.284 844 I C 1.279 177.360 176.117 -0.061 0.000 1.153 844 I CA 0.950 62.199 61.300 -0.085 0.000 1.426 844 I CB 0.602 38.581 38.000 -0.033 0.000 1.381 844 I HN 0.656 nan 8.210 nan 0.000 0.571 845 G N 4.775 113.526 108.800 -0.082 0.000 2.613 845 G HA2 0.161 4.120 3.960 -0.001 0.000 0.303 845 G HA3 0.161 4.120 3.960 -0.001 0.000 0.303 845 G C -1.158 173.840 174.900 0.163 0.000 1.312 845 G CA -0.556 44.572 45.100 0.047 0.000 1.036 845 G HN 0.641 nan 8.290 nan 0.000 0.513 846 W N 1.682 123.036 121.300 0.091 0.000 2.603 846 W HA 0.192 4.851 4.660 -0.001 0.000 0.349 846 W C -0.629 175.992 176.519 0.170 0.000 1.291 846 W CA 0.155 57.569 57.345 0.114 0.000 1.277 846 W CB -0.677 28.873 29.460 0.151 0.000 1.292 846 W HN 0.168 nan 8.180 nan 0.000 0.578 847 T N 8.149 123.004 114.554 0.502 0.000 3.064 847 T HA 0.250 4.599 4.350 -0.001 0.000 0.367 847 T C 0.133 175.039 174.700 0.344 0.000 1.202 847 T CA -0.783 61.552 62.100 0.391 0.000 1.133 847 T CB 0.308 69.303 68.868 0.213 0.000 1.074 847 T HN 0.319 nan 8.240 nan 0.000 0.519 848 R N 1.373 122.113 120.500 0.400 0.000 2.583 848 R HA 0.445 4.785 4.340 -0.001 0.000 0.274 848 R C 0.354 176.763 176.300 0.181 0.000 0.998 848 R CA -0.550 55.715 56.100 0.276 0.000 1.081 848 R CB 0.117 30.565 30.300 0.246 0.000 0.940 848 R HN 0.542 nan 8.270 nan 0.000 0.413 849 G N 1.856 110.727 108.800 0.118 0.000 2.557 849 G HA2 0.289 4.248 3.960 -0.001 0.000 0.310 849 G HA3 0.289 4.248 3.960 -0.001 0.000 0.310 849 G C -0.193 174.755 174.900 0.080 0.000 1.328 849 G CA -0.812 44.341 45.100 0.088 0.000 0.945 849 G HN 0.693 nan 8.290 nan 0.000 0.494 850 T N 0.072 114.679 114.554 0.087 0.000 2.871 850 T HA 0.369 4.718 4.350 -0.001 0.000 0.296 850 T C 1.708 176.441 174.700 0.054 0.000 0.998 850 T CA 0.828 62.979 62.100 0.085 0.000 1.162 850 T CB 0.950 69.860 68.868 0.070 0.000 0.947 850 T HN 2.139 nan 8.240 nan 0.000 0.536 851 G N 2.898 111.733 108.800 0.059 0.000 2.238 851 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.270 851 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.270 851 G C 0.466 175.375 174.900 0.015 0.000 0.977 851 G CA 0.810 45.931 45.100 0.035 0.000 0.639 851 G HN 0.763 nan 8.290 nan 0.000 0.544 852 L N -0.735 120.496 121.223 0.012 0.000 2.226 852 L HA 0.426 4.766 4.340 -0.001 0.000 0.218 852 L C 1.646 178.507 176.870 -0.015 0.000 1.162 852 L CA 0.470 55.306 54.840 -0.007 0.000 2.417 852 L CB -0.209 41.846 42.059 -0.008 0.000 2.139 852 L HN 0.133 nan 8.230 nan 0.000 1.037 853 M N 0.092 119.675 119.600 -0.028 0.000 2.205 853 M HA 0.164 4.643 4.480 -0.001 0.000 0.344 853 M C 0.756 177.023 176.300 -0.055 0.000 1.085 853 M CA -0.073 55.202 55.300 -0.043 0.000 1.001 853 M CB 1.295 33.858 32.600 -0.062 0.000 1.626 853 M HN 0.397 nan 8.290 nan 0.000 0.442 854 S N 1.051 116.716 115.700 -0.058 0.000 2.558 854 S HA 0.086 4.555 4.470 -0.001 0.000 0.217 854 S C 1.643 176.185 174.600 -0.098 0.000 0.975 854 S CA 0.367 58.507 58.200 -0.101 0.000 0.912 854 S CB -0.267 62.898 63.200 -0.059 0.000 0.776 854 S HN 0.747 nan 8.310 nan 0.000 0.526 855 A N 3.830 126.613 122.820 -0.062 0.000 1.933 855 A HA -0.133 4.187 4.320 -0.001 0.000 0.218 855 A C 1.904 179.472 177.584 -0.026 0.000 1.175 855 A CA 1.555 53.567 52.037 -0.042 0.000 0.628 855 A CB -0.626 18.346 19.000 -0.047 0.000 0.814 855 A HN 0.654 nan 8.150 nan 0.000 0.444 856 N N -0.127 118.548 118.700 -0.042 0.000 2.398 856 N HA -0.018 4.721 4.740 -0.001 0.000 0.188 856 N C 0.291 175.927 175.510 0.211 0.000 1.122 856 N CA 0.621 53.682 53.050 0.018 0.000 0.866 856 N CB -0.165 38.251 38.487 -0.119 0.000 0.970 856 N HN 0.450 nan 8.380 nan 0.000 0.462 857 N N 0.256 118.938 118.700 -0.030 0.000 2.397 857 N HA 0.228 4.967 4.740 -0.001 0.000 0.190 857 N C 1.649 176.966 175.510 -0.322 0.000 1.099 857 N CA -0.053 52.815 53.050 -0.303 0.000 0.876 857 N CB 0.275 38.272 38.487 -0.815 0.000 1.143 857 N HN 0.092 nan 8.380 nan 0.000 0.468 858 L N 0.067 121.202 121.223 -0.147 0.000 2.141 858 L HA 0.005 4.344 4.340 -0.001 0.000 0.209 858 L C 1.420 178.324 176.870 0.058 0.000 1.094 858 L CA 0.941 55.766 54.840 -0.026 0.000 0.763 858 L CB -0.057 42.006 42.059 0.006 0.000 0.908 858 L HN -0.013 nan 8.230 nan 0.000 0.437 859 V N -0.717 119.261 119.914 0.107 0.000 3.590 859 V HA 0.072 4.192 4.120 -0.001 0.000 0.265 859 V C 2.449 178.626 176.094 0.140 0.000 1.239 859 V CA 0.852 63.247 62.300 0.157 0.000 1.117 859 V CB 0.263 32.220 31.823 0.223 0.000 0.818 859 V HN 0.354 nan 8.190 nan 0.000 0.451 860 A N 0.283 123.175 122.820 0.120 0.000 1.927 860 A HA -0.324 3.995 4.320 -0.001 0.000 0.220 860 A C 2.212 179.682 177.584 -0.191 0.000 1.185 860 A CA 2.453 54.400 52.037 -0.150 0.000 0.639 860 A CB -0.391 18.566 19.000 -0.071 0.000 0.820 860 A HN 0.612 nan 8.150 nan 0.000 0.451 861 E N -0.928 119.255 120.200 -0.027 0.000 2.028 861 E HA -0.113 4.236 4.350 -0.001 0.000 0.191 861 E C 2.192 178.768 176.600 -0.040 0.000 0.988 861 E CA 0.970 57.356 56.400 -0.023 0.000 0.799 861 E CB -0.460 29.265 29.700 0.043 0.000 0.755 861 E HN 0.520 nan 8.360 nan 0.000 0.447 862 G N 0.441 109.240 108.800 -0.001 0.000 2.442 862 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.219 862 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.219 862 G C 1.600 176.499 174.900 -0.001 0.000 1.141 862 G CA 1.132 46.240 45.100 0.013 0.000 0.763 862 G HN 0.250 nan 8.290 nan 0.000 0.554 863 V N 0.369 120.262 119.914 -0.036 0.000 2.548 863 V HA -0.075 4.044 4.120 -0.001 0.000 0.249 863 V C 2.487 178.527 176.094 -0.090 0.000 1.055 863 V CA 1.633 63.908 62.300 -0.042 0.000 1.065 863 V CB -0.332 31.436 31.823 -0.090 0.000 0.681 863 V HN 0.415 nan 8.190 nan 0.000 0.462 864 E N 0.268 120.373 120.200 -0.159 0.000 2.204 864 E HA -0.182 4.167 4.350 -0.001 0.000 0.194 864 E C 2.133 178.694 176.600 -0.064 0.000 0.989 864 E CA 0.699 57.012 56.400 -0.146 0.000 0.824 864 E CB -0.085 29.506 29.700 -0.183 0.000 0.756 864 E HN 0.565 nan 8.360 nan 0.000 0.477 865 K N 0.461 120.838 120.400 -0.038 0.000 2.360 865 K HA -0.053 4.267 4.320 -0.001 0.000 0.201 865 K C 1.598 178.207 176.600 0.014 0.000 1.046 865 K CA 0.527 56.810 56.287 -0.008 0.000 0.945 865 K CB 0.063 32.564 32.500 0.001 0.000 0.750 865 K HN 0.179 nan 8.250 nan 0.000 0.464 866 L N 0.288 121.526 121.223 0.025 0.000 2.645 866 L HA 0.077 4.416 4.340 -0.001 0.000 0.235 866 L C 0.721 177.634 176.870 0.072 0.000 1.150 866 L CA 0.275 55.147 54.840 0.053 0.000 0.911 866 L CB -0.457 41.645 42.059 0.072 0.000 1.077 866 L HN 0.358 nan 8.230 nan 0.000 0.438 867 G N 0.602 109.439 108.800 0.062 0.000 2.203 867 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.231 867 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.231 867 G C -0.411 174.598 174.900 0.181 0.000 1.058 867 G CA 0.225 45.386 45.100 0.101 0.000 0.781 867 G HN 0.201 nan 8.290 nan 0.000 0.496 868 V N -0.558 119.405 119.914 0.082 0.000 3.114 868 V HA 0.885 5.005 4.120 -0.001 0.000 0.308 868 V C -0.698 175.247 176.094 -0.249 0.000 1.168 868 V CA -1.363 60.964 62.300 0.044 0.000 1.015 868 V CB 2.052 33.962 31.823 0.145 0.000 1.050 868 V HN 0.312 nan 8.190 nan 0.000 0.433 869 R N 2.266 122.462 120.500 -0.506 0.000 2.393 869 R HA 0.605 4.944 4.340 -0.001 0.000 0.310 869 R C -0.437 175.588 176.300 -0.459 0.000 0.968 869 R CA -0.221 55.502 56.100 -0.629 0.000 0.867 869 R CB 1.703 31.379 30.300 -1.041 0.000 1.124 869 R HN 0.984 nan 8.270 nan 0.000 0.450 870 T N -0.438 113.832 114.554 -0.473 0.000 2.940 870 T HA 0.708 5.057 4.350 -0.001 0.000 0.288 870 T C -0.346 174.185 174.700 -0.282 0.000 1.033 870 T CA -0.514 61.410 62.100 -0.293 0.000 1.033 870 T CB 0.982 69.492 68.868 -0.596 0.000 1.079 870 T HN 0.219 nan 8.240 nan 0.000 0.496 871 F N 1.122 121.074 119.950 0.003 0.000 2.522 871 F HA 0.634 5.160 4.527 -0.001 0.000 0.324 871 F C 1.011 176.850 175.800 0.066 0.000 1.077 871 F CA -1.050 56.979 58.000 0.048 0.000 0.944 871 F CB 1.988 41.059 39.000 0.119 0.000 1.175 871 F HN 0.886 nan 8.300 nan 0.000 0.468 872 S N 1.231 117.056 115.700 0.209 0.000 2.632 872 S HA 0.190 4.659 4.470 -0.001 0.000 0.267 872 S C 0.781 175.500 174.600 0.198 0.000 1.276 872 S CA -0.573 57.727 58.200 0.167 0.000 0.998 872 S CB 1.068 64.324 63.200 0.094 0.000 0.953 872 S HN 0.737 nan 8.310 nan 0.000 0.547 873 Q N 0.972 120.866 119.800 0.157 0.000 2.002 873 Q HA -0.234 4.105 4.340 -0.001 0.000 0.204 873 Q C 2.441 178.531 176.000 0.149 0.000 0.988 873 Q CA 2.114 57.998 55.803 0.136 0.000 0.843 873 Q CB -0.510 28.284 28.738 0.094 0.000 0.908 873 Q HN 0.939 nan 8.270 nan 0.000 0.420 874 Q N 0.818 120.705 119.800 0.145 0.000 2.173 874 Q HA -0.226 4.113 4.340 -0.001 0.000 0.208 874 Q C 1.668 177.851 176.000 0.304 0.000 0.989 874 Q CA 1.563 57.472 55.803 0.177 0.000 0.872 874 Q CB -0.367 28.465 28.738 0.156 0.000 0.909 874 Q HN 0.488 nan 8.270 nan 0.000 0.420 875 E N 0.804 121.187 120.200 0.306 0.000 2.006 875 E HA -0.170 4.179 4.350 -0.001 0.000 0.192 875 E C 1.966 178.840 176.600 0.456 0.000 0.993 875 E CA 1.387 58.006 56.400 0.365 0.000 0.808 875 E CB -0.177 29.584 29.700 0.101 0.000 0.764 875 E HN 0.244 nan 8.360 nan 0.000 0.449 876 M N 1.077 120.872 119.600 0.325 0.000 2.346 876 M HA -0.105 4.374 4.480 -0.001 0.000 0.263 876 M C 1.836 178.241 176.300 0.175 0.000 1.064 876 M CA 1.322 56.729 55.300 0.178 0.000 1.083 876 M CB -0.120 32.516 32.600 0.060 0.000 1.399 876 M HN 0.101 nan 8.290 nan 0.000 0.435 877 A N -0.445 122.496 122.820 0.203 0.000 1.872 877 A HA -0.083 4.236 4.320 -0.001 0.000 0.214 877 A C 2.012 179.754 177.584 0.262 0.000 1.187 877 A CA 1.375 53.496 52.037 0.140 0.000 0.614 877 A CB -1.273 17.768 19.000 0.070 0.000 0.826 877 A HN 0.601 nan 8.150 nan 0.000 0.442 878 F N 2.280 122.396 119.950 0.275 0.000 2.063 878 F HA -0.300 4.227 4.527 -0.001 0.000 0.298 878 F C 1.821 177.866 175.800 0.408 0.000 1.109 878 F CA 2.273 60.533 58.000 0.434 0.000 1.212 878 F CB -0.812 38.493 39.000 0.508 0.000 0.973 878 F HN 0.268 nan 8.300 nan 0.000 0.480 879 N N 0.740 119.555 118.700 0.192 0.000 2.061 879 N HA -0.214 4.525 4.740 -0.001 0.000 0.193 879 N C 2.025 177.615 175.510 0.133 0.000 1.030 879 N CA 1.977 55.093 53.050 0.109 0.000 0.856 879 N CB -0.793 37.815 38.487 0.200 0.000 1.023 879 N HN 0.386 nan 8.380 nan 0.000 0.424 880 L N 0.161 121.458 121.223 0.122 0.000 1.994 880 L HA -0.092 4.247 4.340 -0.001 0.000 0.208 880 L C 1.971 178.922 176.870 0.134 0.000 1.071 880 L CA 0.819 55.716 54.840 0.096 0.000 0.745 880 L CB -0.488 41.613 42.059 0.070 0.000 0.892 880 L HN 0.127 nan 8.230 nan 0.000 0.431 881 L N -0.304 121.023 121.223 0.173 0.000 2.351 881 L HA -0.174 4.166 4.340 -0.001 0.000 0.220 881 L C 2.531 179.604 176.870 0.337 0.000 1.127 881 L CA 1.085 56.102 54.840 0.294 0.000 0.786 881 L CB -1.087 41.212 42.059 0.399 0.000 0.914 881 L HN 0.328 nan 8.230 nan 0.000 0.443 882 G N 0.497 109.442 108.800 0.243 0.000 2.421 882 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.216 882 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.216 882 G C 1.467 176.559 174.900 0.320 0.000 1.171 882 G CA 0.640 45.919 45.100 0.298 0.000 0.775 882 G HN 0.383 nan 8.290 nan 0.000 0.543 883 L N 0.198 121.531 121.223 0.184 0.000 2.465 883 L HA 0.119 4.458 4.340 -0.001 0.000 0.224 883 L C 2.643 179.631 176.870 0.196 0.000 1.145 883 L CA 0.241 55.128 54.840 0.078 0.000 0.834 883 L CB -0.491 41.537 42.059 -0.052 0.000 0.944 883 L HN 0.183 nan 8.230 nan 0.000 0.451 884 M N 0.466 120.254 119.600 0.313 0.000 2.447 884 M HA 0.142 4.621 4.480 -0.001 0.000 0.264 884 M C 1.341 177.937 176.300 0.494 0.000 1.095 884 M CA 0.229 55.851 55.300 0.536 0.000 1.125 884 M CB -0.469 32.486 32.600 0.591 0.000 1.389 884 M HN 0.222 nan 8.290 nan 0.000 0.459 885 A N 2.013 125.019 122.820 0.310 0.000 2.520 885 A HA 0.105 4.424 4.320 -0.001 0.000 0.235 885 A C -1.405 176.274 177.584 0.158 0.000 1.065 885 A CA -0.802 51.340 52.037 0.176 0.000 0.764 885 A CB -0.508 18.576 19.000 0.141 0.000 1.002 885 A HN 0.126 nan 8.150 nan 0.000 0.502 886 P HA -0.230 nan 4.420 nan 0.000 0.216 886 P C 1.686 179.035 177.300 0.083 0.000 1.150 886 P CA 2.362 65.515 63.100 0.087 0.000 0.843 886 P CB 0.034 31.766 31.700 0.053 0.000 0.787 887 A N -0.294 122.578 122.820 0.087 0.000 1.852 887 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 887 A C 2.283 179.924 177.584 0.095 0.000 1.215 887 A CA 2.019 54.109 52.037 0.089 0.000 0.641 887 A CB -1.682 17.380 19.000 0.103 0.000 0.838 887 A HN 0.113 nan 8.150 nan 0.000 0.450 888 I N -0.531 120.109 120.570 0.117 0.000 2.315 888 I HA -0.204 3.965 4.170 -0.001 0.000 0.248 888 I C 2.382 178.539 176.117 0.067 0.000 1.117 888 I CA 0.971 62.330 61.300 0.098 0.000 1.404 888 I CB -0.241 37.821 38.000 0.104 0.000 1.071 888 I HN 0.181 nan 8.210 nan 0.000 0.419 889 V N 1.315 121.275 119.914 0.077 0.000 2.278 889 V HA -0.370 3.749 4.120 -0.001 0.000 0.251 889 V C 2.026 178.140 176.094 0.033 0.000 1.062 889 V CA 2.207 64.535 62.300 0.047 0.000 1.038 889 V CB -0.836 31.015 31.823 0.046 0.000 0.646 889 V HN 0.522 nan 8.190 nan 0.000 0.447 890 N N -0.269 118.458 118.700 0.044 0.000 2.396 890 N HA -0.043 4.696 4.740 -0.001 0.000 0.180 890 N C 1.773 177.304 175.510 0.036 0.000 1.028 890 N CA 1.046 54.122 53.050 0.042 0.000 0.893 890 N CB -0.062 38.453 38.487 0.047 0.000 0.967 890 N HN 0.439 nan 8.380 nan 0.000 0.440 891 L N 0.284 121.527 121.223 0.033 0.000 2.056 891 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 891 L C 2.507 179.361 176.870 -0.027 0.000 1.078 891 L CA 0.834 55.686 54.840 0.020 0.000 0.749 891 L CB -0.553 41.527 42.059 0.035 0.000 0.901 891 L HN 0.219 nan 8.230 nan 0.000 0.433 892 C N -0.252 119.026 119.300 -0.037 0.000 2.425 892 C HA -0.148 4.311 4.460 -0.001 0.000 0.277 892 C C 2.794 177.711 174.990 -0.121 0.000 1.280 892 C CA 0.598 59.549 59.018 -0.112 0.000 1.744 892 C CB -0.779 26.926 27.740 -0.059 0.000 1.989 892 C HN 0.529 nan 8.230 nan 0.000 0.491 893 Q N 0.704 120.509 119.800 0.008 0.000 2.364 893 Q HA -0.130 4.209 4.340 -0.001 0.000 0.209 893 Q C 2.191 178.288 176.000 0.163 0.000 0.977 893 Q CA 1.809 57.682 55.803 0.116 0.000 0.885 893 Q CB -0.084 28.710 28.738 0.095 0.000 0.941 893 Q HN 0.895 nan 8.270 nan 0.000 0.464 894 S N -1.341 114.385 115.700 0.043 0.000 2.641 894 S HA 0.106 4.575 4.470 -0.001 0.000 0.239 894 S C 0.218 174.773 174.600 -0.075 0.000 1.081 894 S CA -0.257 57.994 58.200 0.084 0.000 0.904 894 S CB 0.695 63.939 63.200 0.073 0.000 0.803 894 S HN 0.001 nan 8.310 nan 0.000 0.510 895 D N 1.912 122.169 120.400 -0.238 0.000 2.990 895 D HA 0.482 5.121 4.640 -0.001 0.000 0.227 895 D C -3.166 172.910 176.300 -0.372 0.000 1.249 895 D CA -1.416 52.409 54.000 -0.292 0.000 0.891 895 D CB 2.075 42.871 40.800 -0.007 0.000 1.647 895 D HN -0.002 nan 8.370 nan 0.000 0.530 896 P HA -0.026 nan 4.420 nan 0.000 0.266 896 P C -0.468 176.830 177.300 -0.004 0.000 1.186 896 P CA -0.044 62.886 63.100 -0.283 0.000 0.767 896 P CB 0.688 32.312 31.700 -0.127 0.000 0.820 897 V N 4.129 124.061 119.914 0.030 0.000 2.495 897 V HA 0.388 4.507 4.120 -0.001 0.000 0.298 897 V C -0.310 175.778 176.094 -0.010 0.000 1.031 897 V CA -0.469 61.856 62.300 0.041 0.000 0.871 897 V CB 1.196 33.017 31.823 -0.005 0.000 0.988 897 V HN 0.402 nan 8.190 nan 0.000 0.432 898 F N 3.571 123.366 119.950 -0.259 0.000 2.421 898 F HA 0.750 5.277 4.527 -0.001 0.000 0.337 898 F C 0.297 175.953 175.800 -0.240 0.000 1.105 898 F CA -0.426 57.306 58.000 -0.447 0.000 1.049 898 F CB 1.447 39.893 39.000 -0.924 0.000 1.139 898 F HN 0.525 nan 8.300 nan 0.000 0.479 899 A N 4.968 127.776 122.820 -0.019 0.000 2.745 899 A HA 0.212 4.531 4.320 -0.001 0.000 0.301 899 A C -1.245 176.287 177.584 -0.087 0.000 1.188 899 A CA -0.659 51.321 52.037 -0.095 0.000 0.746 899 A CB 0.210 19.057 19.000 -0.255 0.000 1.207 899 A HN 0.651 nan 8.150 nan 0.000 0.432 900 D N 3.230 123.573 120.400 -0.094 0.000 2.357 900 D HA 0.101 4.740 4.640 -0.001 0.000 0.265 900 D C 0.231 176.426 176.300 -0.175 0.000 1.334 900 D CA 0.239 54.130 54.000 -0.182 0.000 0.984 900 D CB 0.352 40.834 40.800 -0.530 0.000 1.077 900 D HN 0.537 nan 8.370 nan 0.000 0.514 901 L N 3.234 124.403 121.223 -0.090 0.000 2.912 901 L HA 0.167 4.506 4.340 -0.001 0.000 0.240 901 L C 0.703 177.524 176.870 -0.082 0.000 1.262 901 L CA -0.488 54.311 54.840 -0.068 0.000 1.058 901 L CB -0.486 41.500 42.059 -0.122 0.000 1.383 901 L HN 0.151 nan 8.230 nan 0.000 0.512 902 N N 0.931 119.663 118.700 0.052 0.000 2.499 902 N HA 0.146 4.885 4.740 -0.001 0.000 0.281 902 N C 1.104 176.843 175.510 0.381 0.000 1.098 902 N CA -0.096 53.056 53.050 0.170 0.000 0.979 902 N CB 1.864 40.444 38.487 0.155 0.000 1.121 902 N HN 0.156 nan 8.380 nan 0.000 0.466 903 G N 1.484 110.610 108.800 0.543 0.000 3.229 903 G HA2 0.198 4.157 3.960 -0.001 0.000 0.214 903 G HA3 0.198 4.157 3.960 -0.001 0.000 0.214 903 G C 0.951 176.101 174.900 0.417 0.000 1.256 903 G CA 0.179 45.565 45.100 0.476 0.000 1.042 903 G HN 1.055 nan 8.290 nan 0.000 0.497 904 G N -0.690 108.471 108.800 0.602 0.000 2.143 904 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.248 904 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.248 904 G C 1.028 176.227 174.900 0.499 0.000 0.991 904 G CA 0.391 45.907 45.100 0.693 0.000 0.689 904 G HN 0.515 nan 8.290 nan 0.000 0.522 905 L N -0.152 121.282 121.223 0.351 0.000 2.633 905 L HA 0.021 4.360 4.340 -0.001 0.000 0.235 905 L C 2.671 179.651 176.870 0.182 0.000 1.163 905 L CA 1.482 56.496 54.840 0.290 0.000 0.859 905 L CB -0.115 42.135 42.059 0.319 0.000 0.973 905 L HN 0.369 nan 8.230 nan 0.000 0.451 906 Q N -0.951 118.875 119.800 0.043 0.000 2.291 906 Q HA -0.138 4.201 4.340 -0.001 0.000 0.206 906 Q C 1.453 177.318 176.000 -0.225 0.000 0.976 906 Q CA 1.536 57.233 55.803 -0.176 0.000 0.875 906 Q CB -0.224 28.265 28.738 -0.416 0.000 0.927 906 Q HN 0.428 nan 8.270 nan 0.000 0.450 907 F N -0.019 120.016 119.950 0.142 0.000 2.776 907 F HA 0.213 4.739 4.527 -0.001 0.000 0.300 907 F C 0.476 176.338 175.800 0.103 0.000 1.116 907 F CA -0.246 57.820 58.000 0.109 0.000 1.375 907 F CB 0.208 39.271 39.000 0.105 0.000 1.109 907 F HN -0.067 nan 8.300 nan 0.000 0.585 908 I N 3.142 123.861 120.570 0.249 0.000 2.294 908 I HA 0.218 4.387 4.170 -0.001 0.000 0.295 908 I C -2.333 173.857 176.117 0.122 0.000 1.098 908 I CA -1.885 59.523 61.300 0.181 0.000 1.277 908 I CB -0.121 37.991 38.000 0.186 0.000 1.434 908 I HN -0.218 nan 8.210 nan 0.000 0.498 909 P HA 0.128 nan 4.420 nan 0.000 0.276 909 P C 0.050 177.367 177.300 0.029 0.000 1.244 909 P CA -0.147 62.986 63.100 0.055 0.000 0.801 909 P CB 0.520 32.254 31.700 0.057 0.000 1.006 910 D N -0.140 120.254 120.400 -0.011 0.000 2.708 910 D HA -0.149 4.490 4.640 -0.001 0.000 0.236 910 D C 0.716 176.978 176.300 -0.064 0.000 1.146 910 D CA 0.181 54.152 54.000 -0.048 0.000 0.662 910 D CB -0.691 40.097 40.800 -0.021 0.000 1.059 910 D HN 0.183 nan 8.370 nan 0.000 0.428 911 L N 1.031 122.208 121.223 -0.076 0.000 2.042 911 L HA -0.141 4.198 4.340 -0.001 0.000 0.210 911 L C 2.347 179.111 176.870 -0.177 0.000 1.076 911 L CA 2.746 57.562 54.840 -0.040 0.000 0.749 911 L CB -0.779 41.312 42.059 0.054 0.000 0.893 911 L HN 0.177 nan 8.230 nan 0.000 0.432 912 K N -0.072 120.018 120.400 -0.517 0.000 2.052 912 K HA -0.177 4.142 4.320 -0.001 0.000 0.215 912 K C 1.992 178.475 176.600 -0.195 0.000 1.053 912 K CA 2.128 58.059 56.287 -0.592 0.000 0.934 912 K CB -1.315 30.815 32.500 -0.616 0.000 0.717 912 K HN 0.435 nan 8.250 nan 0.000 0.450 913 G N 0.654 109.377 108.800 -0.129 0.000 2.402 913 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.216 913 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.216 913 G C 1.468 176.366 174.900 -0.003 0.000 1.162 913 G CA 0.886 45.958 45.100 -0.048 0.000 0.777 913 G HN 0.358 nan 8.290 nan 0.000 0.539 914 L N 0.938 122.169 121.223 0.014 0.000 1.971 914 L HA -0.128 4.211 4.340 -0.001 0.000 0.215 914 L C 2.888 179.808 176.870 0.083 0.000 1.072 914 L CA 2.277 57.152 54.840 0.058 0.000 0.758 914 L CB -0.551 41.561 42.059 0.088 0.000 0.889 914 L HN 0.328 nan 8.230 nan 0.000 0.433 915 M N -0.975 118.692 119.600 0.112 0.000 2.117 915 M HA -0.158 4.322 4.480 -0.001 0.000 0.262 915 M C 2.108 178.469 176.300 0.102 0.000 1.065 915 M CA 2.207 57.599 55.300 0.153 0.000 1.114 915 M CB -1.383 31.345 32.600 0.213 0.000 1.361 915 M HN 0.562 nan 8.290 nan 0.000 0.408 916 T N -0.820 113.774 114.554 0.067 0.000 2.881 916 T HA -0.113 4.237 4.350 -0.001 0.000 0.270 916 T C 1.663 176.390 174.700 0.045 0.000 1.068 916 T CA 1.265 63.395 62.100 0.050 0.000 1.131 916 T CB -0.303 68.581 68.868 0.027 0.000 0.871 916 T HN 0.428 nan 8.240 nan 0.000 0.479 917 K N 0.923 121.350 120.400 0.046 0.000 2.007 917 K HA 0.183 4.503 4.320 -0.001 0.000 0.206 917 K C 2.323 178.953 176.600 0.050 0.000 1.047 917 K CA 1.072 57.384 56.287 0.042 0.000 0.937 917 K CB -0.471 32.053 32.500 0.040 0.000 0.718 917 K HN 0.221 nan 8.250 nan 0.000 0.438 918 L N 1.021 122.282 121.223 0.065 0.000 2.042 918 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 918 L C 2.657 179.567 176.870 0.067 0.000 1.076 918 L CA 1.127 56.010 54.840 0.071 0.000 0.749 918 L CB -0.321 41.795 42.059 0.094 0.000 0.893 918 L HN 0.161 nan 8.230 nan 0.000 0.432 919 R N 0.252 120.795 120.500 0.071 0.000 2.113 919 R HA -0.241 4.099 4.340 -0.001 0.000 0.244 919 R C 2.253 178.581 176.300 0.045 0.000 1.142 919 R CA 1.900 58.036 56.100 0.059 0.000 0.953 919 R CB -0.384 29.950 30.300 0.056 0.000 0.860 919 R HN 0.353 nan 8.270 nan 0.000 0.438 920 K N 0.829 121.254 120.400 0.041 0.000 1.967 920 K HA -0.196 4.124 4.320 -0.001 0.000 0.212 920 K C 2.080 178.700 176.600 0.033 0.000 1.044 920 K CA 2.034 58.341 56.287 0.033 0.000 0.942 920 K CB -0.171 32.347 32.500 0.030 0.000 0.726 920 K HN 0.292 nan 8.250 nan 0.000 0.440 921 E N 0.749 120.970 120.200 0.034 0.000 2.136 921 E HA -0.284 4.065 4.350 -0.001 0.000 0.208 921 E C 1.947 178.567 176.600 0.033 0.000 1.035 921 E CA 2.179 58.598 56.400 0.033 0.000 0.838 921 E CB -0.752 28.969 29.700 0.035 0.000 0.748 921 E HN 0.421 nan 8.360 nan 0.000 0.459 922 I N 0.143 120.736 120.570 0.039 0.000 2.113 922 I HA -0.246 3.923 4.170 -0.001 0.000 0.238 922 I C 2.638 178.775 176.117 0.034 0.000 1.070 922 I CA 1.160 62.483 61.300 0.039 0.000 1.332 922 I CB -0.367 37.661 38.000 0.046 0.000 1.044 922 I HN 0.191 nan 8.210 nan 0.000 0.402 923 M N 0.041 119.661 119.600 0.033 0.000 2.202 923 M HA -0.215 4.264 4.480 -0.001 0.000 0.262 923 M C 2.138 178.453 176.300 0.025 0.000 1.063 923 M CA 1.602 56.919 55.300 0.028 0.000 1.097 923 M CB -1.185 31.431 32.600 0.026 0.000 1.382 923 M HN 0.318 nan 8.290 nan 0.000 0.413 924 E N -0.094 120.122 120.200 0.025 0.000 2.046 924 E HA -0.142 4.207 4.350 -0.001 0.000 0.190 924 E C 1.887 178.500 176.600 0.022 0.000 0.982 924 E CA 1.822 58.236 56.400 0.023 0.000 0.800 924 E CB 0.204 29.917 29.700 0.022 0.000 0.756 924 E HN 0.604 nan 8.360 nan 0.000 0.449 925 T N -0.961 113.607 114.554 0.024 0.000 2.821 925 T HA -0.152 4.198 4.350 -0.001 0.000 0.267 925 T C 2.164 176.877 174.700 0.022 0.000 1.046 925 T CA 1.460 63.573 62.100 0.023 0.000 1.139 925 T CB -0.427 68.456 68.868 0.024 0.000 0.871 925 T HN 0.148 nan 8.240 nan 0.000 0.454 926 S N 2.532 118.246 115.700 0.025 0.000 2.368 926 S HA 0.076 4.545 4.470 -0.001 0.000 0.224 926 S C 2.490 177.103 174.600 0.022 0.000 1.029 926 S CA 0.971 59.186 58.200 0.024 0.000 0.988 926 S CB -1.020 62.197 63.200 0.027 0.000 0.838 926 S HN 0.731 nan 8.310 nan 0.000 0.462 927 A N 2.252 125.085 122.820 0.021 0.000 1.851 927 A HA -0.000 4.319 4.320 -0.001 0.000 0.216 927 A C 2.269 179.864 177.584 0.017 0.000 1.195 927 A CA 1.726 53.774 52.037 0.019 0.000 0.622 927 A CB -1.113 17.898 19.000 0.018 0.000 0.831 927 A HN 0.606 nan 8.150 nan 0.000 0.444 928 I N -1.138 119.442 120.570 0.017 0.000 2.118 928 I HA -0.335 3.834 4.170 -0.001 0.000 0.241 928 I C 2.777 178.903 176.117 0.016 0.000 1.070 928 I CA 2.093 63.402 61.300 0.016 0.000 1.327 928 I CB -0.340 37.669 38.000 0.016 0.000 1.034 928 I HN 0.369 nan 8.210 nan 0.000 0.405 929 R N 0.801 121.311 120.500 0.017 0.000 2.083 929 R HA -0.238 4.102 4.340 -0.001 0.000 0.237 929 R C 2.421 178.731 176.300 0.017 0.000 1.137 929 R CA 2.037 58.147 56.100 0.017 0.000 0.951 929 R CB -0.193 30.119 30.300 0.019 0.000 0.851 929 R HN 0.568 nan 8.270 nan 0.000 0.434 930 Q N -1.155 118.656 119.800 0.018 0.000 2.311 930 Q HA 0.050 4.389 4.340 -0.001 0.000 0.203 930 Q C 1.790 177.800 176.000 0.016 0.000 0.954 930 Q CA 0.973 56.786 55.803 0.018 0.000 0.885 930 Q CB 0.044 28.794 28.738 0.019 0.000 0.963 930 Q HN 0.305 nan 8.270 nan 0.000 0.471 931 A N 1.511 124.340 122.820 0.016 0.000 1.855 931 A HA -0.068 4.252 4.320 -0.001 0.000 0.215 931 A C 2.366 179.958 177.584 0.013 0.000 1.191 931 A CA 1.231 53.277 52.037 0.014 0.000 0.613 931 A CB -0.876 18.132 19.000 0.014 0.000 0.829 931 A HN 0.199 nan 8.150 nan 0.000 0.442 932 V N 0.595 120.517 119.914 0.013 0.000 2.278 932 V HA -0.344 3.776 4.120 -0.001 0.000 0.251 932 V C 2.454 178.556 176.094 0.012 0.000 1.062 932 V CA 2.323 64.630 62.300 0.012 0.000 1.038 932 V CB -0.753 31.076 31.823 0.012 0.000 0.646 932 V HN 0.588 nan 8.190 nan 0.000 0.447 933 I N -0.622 119.956 120.570 0.014 0.000 2.118 933 I HA -0.317 3.852 4.170 -0.001 0.000 0.241 933 I C 2.560 178.686 176.117 0.015 0.000 1.070 933 I CA 1.871 63.179 61.300 0.015 0.000 1.327 933 I CB -0.579 37.431 38.000 0.017 0.000 1.034 933 I HN 0.259 nan 8.210 nan 0.000 0.405 934 K N 0.275 120.684 120.400 0.015 0.000 2.103 934 K HA -0.192 4.128 4.320 -0.001 0.000 0.207 934 K C 2.115 178.723 176.600 0.013 0.000 1.048 934 K CA 1.166 57.462 56.287 0.015 0.000 0.930 934 K CB -0.141 32.368 32.500 0.015 0.000 0.716 934 K HN 0.293 nan 8.250 nan 0.000 0.444 935 E N 0.190 120.397 120.200 0.011 0.000 2.007 935 E HA -0.152 4.197 4.350 -0.001 0.000 0.194 935 E C 2.184 178.789 176.600 0.007 0.000 0.999 935 E CA 2.039 58.444 56.400 0.009 0.000 0.811 935 E CB -0.516 29.189 29.700 0.008 0.000 0.762 935 E HN 0.445 nan 8.360 nan 0.000 0.450 936 T N -0.617 113.942 114.554 0.007 0.000 2.929 936 T HA 0.006 4.355 4.350 -0.001 0.000 0.271 936 T C 1.955 176.659 174.700 0.006 0.000 1.085 936 T CA 1.273 63.376 62.100 0.005 0.000 1.125 936 T CB -0.131 68.740 68.868 0.005 0.000 0.874 936 T HN 0.160 nan 8.240 nan 0.000 0.494 937 A N 1.517 124.344 122.820 0.011 0.000 1.897 937 A HA 0.214 4.533 4.320 -0.001 0.000 0.215 937 A C 2.346 179.939 177.584 0.014 0.000 1.181 937 A CA 0.949 52.996 52.037 0.016 0.000 0.620 937 A CB -0.681 18.332 19.000 0.020 0.000 0.821 937 A HN 0.553 nan 8.150 nan 0.000 0.443 938 I N -0.295 120.282 120.570 0.012 0.000 2.315 938 I HA -0.241 3.929 4.170 -0.001 0.000 0.248 938 I C 2.403 178.523 176.117 0.004 0.000 1.117 938 I CA 1.370 62.676 61.300 0.010 0.000 1.404 938 I CB -0.429 37.576 38.000 0.009 0.000 1.071 938 I HN 0.438 nan 8.210 nan 0.000 0.419 939 E N 0.827 121.027 120.200 0.000 0.000 2.118 939 E HA -0.240 4.109 4.350 -0.001 0.000 0.195 939 E C 1.779 178.370 176.600 -0.016 0.000 0.992 939 E CA 1.374 57.770 56.400 -0.007 0.000 0.804 939 E CB -0.173 29.522 29.700 -0.009 0.000 0.741 939 E HN 0.476 nan 8.360 nan 0.000 0.458 940 N N 0.728 119.420 118.700 -0.014 0.000 2.244 940 N HA -0.098 4.641 4.740 -0.001 0.000 0.183 940 N C 1.347 176.845 175.510 -0.021 0.000 1.016 940 N CA 0.884 53.918 53.050 -0.027 0.000 0.866 940 N CB 0.000 38.478 38.487 -0.015 0.000 0.980 940 N HN 0.103 nan 8.380 nan 0.000 0.430 941 K N 0.124 120.525 120.400 0.002 0.000 2.211 941 K HA 0.017 4.336 4.320 -0.001 0.000 0.203 941 K C 1.639 178.240 176.600 0.002 0.000 1.050 941 K CA 0.560 56.855 56.287 0.013 0.000 0.945 941 K CB 0.079 32.592 32.500 0.023 0.000 0.732 941 K HN 0.036 nan 8.250 nan 0.000 0.451 942 V N 0.712 120.622 119.914 -0.007 0.000 2.273 942 V HA -0.182 3.937 4.120 -0.001 0.000 0.242 942 V C 2.292 178.372 176.094 -0.023 0.000 1.035 942 V CA 1.261 63.555 62.300 -0.010 0.000 1.013 942 V CB -0.312 31.505 31.823 -0.010 0.000 0.652 942 V HN 0.005 nan 8.190 nan 0.000 0.452 943 V N 1.062 120.953 119.914 -0.039 0.000 2.261 943 V HA -0.226 3.894 4.120 -0.001 0.000 0.246 943 V C 2.199 178.241 176.094 -0.087 0.000 1.047 943 V CA 2.361 64.626 62.300 -0.059 0.000 1.015 943 V CB -0.787 30.993 31.823 -0.071 0.000 0.642 943 V HN 0.572 nan 8.190 nan 0.000 0.446 944 N N -0.291 118.339 118.700 -0.117 0.000 2.415 944 N HA 0.224 4.964 4.740 -0.001 0.000 0.176 944 N C 0.860 176.336 175.510 -0.056 0.000 1.042 944 N CA 1.022 53.958 53.050 -0.191 0.000 0.902 944 N CB 0.290 38.551 38.487 -0.377 0.000 0.986 944 N HN 0.584 nan 8.380 nan 0.000 0.447 945 G N 0.853 109.647 108.800 -0.009 0.000 2.692 945 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.686 945 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.686 945 G C 0.281 175.219 174.900 0.064 0.000 1.243 945 G CA -0.258 44.860 45.100 0.030 0.000 0.782 945 G HN 0.002 nan 8.290 nan 0.000 0.625 946 E N 0.337 120.571 120.200 0.055 0.000 2.065 946 E HA -0.115 4.235 4.350 -0.001 0.000 0.201 946 E C 2.168 178.820 176.600 0.087 0.000 1.016 946 E CA 2.229 58.666 56.400 0.062 0.000 0.818 946 E CB -0.146 29.582 29.700 0.046 0.000 0.749 946 E HN 0.596 nan 8.360 nan 0.000 0.453 947 D N -0.937 119.518 120.400 0.091 0.000 2.092 947 D HA -0.183 4.456 4.640 -0.001 0.000 0.193 947 D C 1.932 178.325 176.300 0.154 0.000 0.994 947 D CA 1.330 55.391 54.000 0.102 0.000 0.828 947 D CB -0.548 40.305 40.800 0.088 0.000 0.963 947 D HN 0.302 nan 8.370 nan 0.000 0.450 948 H N 1.157 120.273 119.070 0.077 0.000 2.267 948 H HA -0.092 4.463 4.556 -0.001 0.000 0.297 948 H C 1.798 177.189 175.328 0.105 0.000 1.080 948 H CA 1.531 57.624 56.048 0.075 0.000 1.278 948 H CB 0.195 29.926 29.762 -0.051 0.000 1.365 948 H HN 0.006 nan 8.280 nan 0.000 0.489 949 E N 0.650 121.038 120.200 0.314 0.000 2.118 949 E HA -0.116 4.234 4.350 -0.001 0.000 0.195 949 E C 2.358 179.073 176.600 0.191 0.000 0.992 949 E CA 0.950 57.492 56.400 0.238 0.000 0.804 949 E CB -0.536 29.247 29.700 0.139 0.000 0.741 949 E HN 0.556 nan 8.360 nan 0.000 0.458 950 A N 1.275 124.185 122.820 0.150 0.000 1.865 950 A HA -0.151 4.168 4.320 -0.001 0.000 0.217 950 A C 2.188 179.833 177.584 0.102 0.000 1.191 950 A CA 1.292 53.392 52.037 0.105 0.000 0.623 950 A CB -0.781 18.264 19.000 0.075 0.000 0.826 950 A HN 0.257 nan 8.150 nan 0.000 0.444 951 L N -1.802 119.495 121.223 0.122 0.000 2.711 951 L HA -0.006 4.333 4.340 -0.001 0.000 0.242 951 L C 0.247 176.989 176.870 -0.213 0.000 1.153 951 L CA 0.473 55.294 54.840 -0.030 0.000 0.898 951 L CB -0.558 41.452 42.059 -0.082 0.000 1.044 951 L HN 0.511 nan 8.230 nan 0.000 0.437 952 Y N -0.337 119.926 120.300 -0.061 0.000 2.666 952 Y HA 0.339 4.888 4.550 -0.001 0.000 0.264 952 Y C 0.349 176.244 175.900 -0.009 0.000 1.054 952 Y CA -0.643 57.428 58.100 -0.049 0.000 1.121 952 Y CB 0.510 38.927 38.460 -0.071 0.000 1.190 952 Y HN 0.022 nan 8.280 nan 0.000 0.587 953 R N 0.658 121.206 120.500 0.080 0.000 2.445 953 R HA 0.429 4.768 4.340 -0.001 0.000 0.308 953 R C -0.182 176.134 176.300 0.026 0.000 0.961 953 R CA -1.065 55.072 56.100 0.061 0.000 0.862 953 R CB 1.497 31.831 30.300 0.056 0.000 1.144 953 R HN 0.172 nan 8.270 nan 0.000 0.447 954 R N 1.811 122.329 120.500 0.029 0.000 2.549 954 R HA -0.041 4.298 4.340 -0.001 0.000 0.336 954 R C -0.302 176.004 176.300 0.010 0.000 0.891 954 R CA 0.310 56.419 56.100 0.016 0.000 1.102 954 R CB 0.163 30.475 30.300 0.020 0.000 0.899 954 R HN 0.325 nan 8.270 nan 0.000 0.407 955 V N 7.174 127.088 119.914 -0.001 0.000 2.352 955 V HA 0.113 4.233 4.120 -0.001 0.000 0.253 955 V C 0.863 176.959 176.094 0.004 0.000 1.083 955 V CA -0.036 62.264 62.300 -0.001 0.000 0.993 955 V CB 0.075 31.890 31.823 -0.012 0.000 1.111 955 V HN 0.556 nan 8.190 nan 0.000 0.490 956 I N 4.988 125.564 120.570 0.010 0.000 2.396 956 I HA 0.164 4.333 4.170 -0.001 0.000 0.289 956 I C 1.131 177.256 176.117 0.014 0.000 1.056 956 I CA -0.043 61.264 61.300 0.013 0.000 1.365 956 I CB 1.204 39.214 38.000 0.016 0.000 1.407 956 I HN 0.648 nan 8.210 nan 0.000 0.509 957 T N 2.665 117.227 114.554 0.013 0.000 2.916 957 T HA 0.186 4.536 4.350 -0.001 0.000 0.303 957 T C -0.069 174.645 174.700 0.022 0.000 1.025 957 T CA -0.739 61.370 62.100 0.016 0.000 1.142 957 T CB 0.682 69.558 68.868 0.014 0.000 0.947 957 T HN 0.482 nan 8.240 nan 0.000 0.544 958 E N 3.168 123.383 120.200 0.026 0.000 2.200 958 E HA 0.331 4.680 4.350 -0.001 0.000 0.283 958 E C -2.193 174.429 176.600 0.038 0.000 1.015 958 E CA -1.922 54.498 56.400 0.032 0.000 0.819 958 E CB 0.584 30.305 29.700 0.036 0.000 1.081 958 E HN 0.538 nan 8.360 nan 0.000 0.397 959 P HA 0.118 nan 4.420 nan 0.000 0.271 959 P C -0.554 176.783 177.300 0.060 0.000 1.216 959 P CA 0.029 63.157 63.100 0.047 0.000 0.776 959 P CB 0.834 32.562 31.700 0.046 0.000 0.881 960 R N 0.970 121.508 120.500 0.065 0.000 3.006 960 R HA 0.859 5.199 4.340 -0.001 0.000 0.235 960 R C -0.850 175.509 176.300 0.098 0.000 1.362 960 R CA -1.133 55.019 56.100 0.086 0.000 1.067 960 R CB 1.612 31.956 30.300 0.073 0.000 1.396 960 R HN 0.492 nan 8.270 nan 0.000 0.504 961 A N 1.936 124.834 122.820 0.131 0.000 2.335 961 A HA 0.332 4.651 4.320 -0.001 0.000 0.304 961 A C -1.150 176.531 177.584 0.162 0.000 1.118 961 A CA -0.891 51.233 52.037 0.145 0.000 0.757 961 A CB 0.719 19.824 19.000 0.176 0.000 1.188 961 A HN 0.733 nan 8.150 nan 0.000 0.460 962 N N 2.897 121.683 118.700 0.143 0.000 2.408 962 N HA 0.369 5.108 4.740 -0.001 0.000 0.280 962 N C -1.392 174.250 175.510 0.221 0.000 1.002 962 N CA -0.496 52.659 53.050 0.174 0.000 0.907 962 N CB 1.348 39.908 38.487 0.121 0.000 1.161 962 N HN 0.444 nan 8.380 nan 0.000 0.488 963 L N 2.451 123.880 121.223 0.344 0.000 2.328 963 L HA 0.241 4.580 4.340 -0.001 0.000 0.280 963 L C 0.398 177.482 176.870 0.358 0.000 1.111 963 L CA -0.597 54.416 54.840 0.288 0.000 0.909 963 L CB 0.132 42.342 42.059 0.251 0.000 1.277 963 L HN 0.338 nan 8.230 nan 0.000 0.433 964 K N 2.687 123.225 120.400 0.230 0.000 2.451 964 K HA -0.006 4.313 4.320 -0.001 0.000 0.280 964 K C -0.522 176.161 176.600 0.138 0.000 1.020 964 K CA -0.017 56.410 56.287 0.233 0.000 1.008 964 K CB 0.416 32.974 32.500 0.097 0.000 0.917 964 K HN 0.302 nan 8.250 nan 0.000 0.478 965 Y N 4.822 125.191 120.300 0.116 0.000 2.650 965 Y HA 0.157 4.706 4.550 -0.001 0.000 0.343 965 Y C -2.129 173.715 175.900 -0.093 0.000 1.078 965 Y CA -2.491 55.554 58.100 -0.091 0.000 1.356 965 Y CB 0.412 38.789 38.460 -0.137 0.000 1.204 965 Y HN 0.467 nan 8.280 nan 0.000 0.508 966 P HA 0.077 nan 4.420 nan 0.000 0.276 966 P C -0.753 176.707 177.300 0.267 0.000 1.235 966 P CA 0.061 63.198 63.100 0.061 0.000 0.772 966 P CB 0.602 32.314 31.700 0.021 0.000 0.871 967 F N 3.240 123.245 119.950 0.093 0.000 2.362 967 F HA 0.412 4.938 4.527 -0.001 0.000 0.311 967 F C -1.582 174.166 175.800 -0.087 0.000 1.161 967 F CA -2.739 55.279 58.000 0.031 0.000 1.085 967 F CB -1.121 37.883 39.000 0.007 0.000 1.311 967 F HN 0.189 nan 8.300 nan 0.000 0.524 968 P HA 0.046 nan 4.420 nan 0.000 0.268 968 P C -0.888 176.419 177.300 0.011 0.000 1.204 968 P CA -0.037 62.954 63.100 -0.181 0.000 0.768 968 P CB 0.205 31.631 31.700 -0.457 0.000 0.842 969 E N 2.079 122.310 120.200 0.052 0.000 2.415 969 E HA 0.024 4.373 4.350 -0.001 0.000 0.260 969 E C -0.300 176.383 176.600 0.140 0.000 1.016 969 E CA -0.159 56.300 56.400 0.099 0.000 0.924 969 E CB 0.012 29.780 29.700 0.113 0.000 0.961 969 E HN 0.331 nan 8.360 nan 0.000 0.459 970 L N 6.717 128.014 121.223 0.125 0.000 2.433 970 L HA 0.160 4.499 4.340 -0.001 0.000 0.275 970 L C -1.863 175.129 176.870 0.203 0.000 1.128 970 L CA -1.395 53.535 54.840 0.149 0.000 0.875 970 L CB -0.463 41.619 42.059 0.037 0.000 1.171 970 L HN 0.327 nan 8.230 nan 0.000 0.463 971 P HA -0.004 nan 4.420 nan 0.000 0.271 971 P C -0.825 176.587 177.300 0.187 0.000 1.238 971 P CA -0.384 62.841 63.100 0.208 0.000 0.794 971 P CB 0.420 32.242 31.700 0.203 0.000 0.959 972 D N -0.547 119.924 120.400 0.118 0.000 2.225 972 D HA 0.014 4.653 4.640 -0.001 0.000 0.248 972 D C 0.856 177.210 176.300 0.090 0.000 1.096 972 D CA -0.435 53.643 54.000 0.130 0.000 0.863 972 D CB 0.311 41.163 40.800 0.087 0.000 1.156 972 D HN 0.427 nan 8.370 nan 0.000 0.450 973 W N 3.568 124.850 121.300 -0.031 0.000 2.335 973 W HA -0.236 4.423 4.660 -0.001 0.000 0.311 973 W C 0.249 176.715 176.519 -0.087 0.000 1.213 973 W CA 1.487 58.760 57.345 -0.120 0.000 1.274 973 W CB 0.222 29.676 29.460 -0.010 0.000 1.148 973 W HN 0.514 nan 8.180 nan 0.000 0.498 974 D N -0.187 120.128 120.400 -0.142 0.000 2.146 974 D HA -0.127 4.512 4.640 -0.001 0.000 0.209 974 D C 2.203 178.372 176.300 -0.219 0.000 0.973 974 D CA 1.364 55.212 54.000 -0.252 0.000 0.860 974 D CB -0.494 40.274 40.800 -0.052 0.000 1.015 974 D HN 0.014 nan 8.370 nan 0.000 0.465 975 K N 0.248 120.581 120.400 -0.112 0.000 2.097 975 K HA -0.088 4.232 4.320 -0.001 0.000 0.206 975 K C 0.947 177.469 176.600 -0.131 0.000 1.049 975 K CA 1.090 57.319 56.287 -0.096 0.000 0.933 975 K CB 0.101 32.579 32.500 -0.036 0.000 0.717 975 K HN 0.202 nan 8.250 nan 0.000 0.442 976 D N -0.399 119.913 120.400 -0.147 0.000 2.514 976 D HA 0.118 4.757 4.640 -0.001 0.000 0.249 976 D C 1.895 178.047 176.300 -0.247 0.000 1.036 976 D CA 0.529 54.436 54.000 -0.156 0.000 0.911 976 D CB 0.610 41.361 40.800 -0.082 0.000 1.145 976 D HN 0.101 nan 8.370 nan 0.000 0.495 977 I N 0.340 120.704 120.570 -0.343 0.000 3.039 977 I HA 0.003 4.173 4.170 -0.001 0.000 0.270 977 I C 2.349 178.109 176.117 -0.595 0.000 1.150 977 I CA 0.077 61.118 61.300 -0.431 0.000 1.448 977 I CB -0.047 37.705 38.000 -0.413 0.000 1.197 977 I HN -0.218 nan 8.210 nan 0.000 0.450 978 K N 1.743 121.640 120.400 -0.840 0.000 2.059 978 K HA -0.179 4.141 4.320 -0.001 0.000 0.212 978 K C -0.696 175.661 176.600 -0.405 0.000 1.050 978 K CA 2.039 57.862 56.287 -0.773 0.000 0.927 978 K CB -0.880 31.192 32.500 -0.712 0.000 0.714 978 K HN 0.183 nan 8.250 nan 0.000 0.447 979 P HA -0.119 nan 4.420 nan 0.000 0.229 979 P C 0.454 177.647 177.300 -0.178 0.000 1.150 979 P CA 1.134 64.109 63.100 -0.210 0.000 0.765 979 P CB 0.126 31.714 31.700 -0.187 0.000 0.783 980 L N -2.327 118.769 121.223 -0.212 0.000 2.609 980 L HA 0.180 4.519 4.340 -0.001 0.000 0.230 980 L C 2.137 178.947 176.870 -0.099 0.000 1.064 980 L CA 0.231 54.979 54.840 -0.154 0.000 0.873 980 L CB -0.835 41.088 42.059 -0.228 0.000 1.139 980 L HN -0.160 nan 8.230 nan 0.000 0.490 981 N N 1.009 119.627 118.700 -0.137 0.000 2.091 981 N HA -0.254 4.485 4.740 -0.001 0.000 0.193 981 N C 1.402 176.906 175.510 -0.010 0.000 1.021 981 N CA 1.850 54.871 53.050 -0.049 0.000 0.862 981 N CB -0.078 38.362 38.487 -0.079 0.000 1.018 981 N HN 0.226 nan 8.380 nan 0.000 0.429 982 D N 0.264 120.640 120.400 -0.040 0.000 2.133 982 D HA -0.164 4.475 4.640 -0.001 0.000 0.195 982 D C 1.907 178.200 176.300 -0.012 0.000 0.997 982 D CA 1.098 55.085 54.000 -0.021 0.000 0.840 982 D CB -0.217 40.561 40.800 -0.036 0.000 0.947 982 D HN 0.542 nan 8.370 nan 0.000 0.452 983 Q N -0.469 119.323 119.800 -0.014 0.000 2.096 983 Q HA 0.071 4.410 4.340 -0.001 0.000 0.197 983 Q C 2.188 178.190 176.000 0.003 0.000 0.964 983 Q CA 0.569 56.369 55.803 -0.005 0.000 0.838 983 Q CB 0.209 28.950 28.738 0.005 0.000 0.906 983 Q HN 0.274 nan 8.270 nan 0.000 0.444 984 L N 0.124 121.360 121.223 0.021 0.000 2.585 984 L HA 0.148 4.488 4.340 -0.001 0.000 0.226 984 L C 0.900 177.794 176.870 0.041 0.000 1.113 984 L CA -0.209 54.653 54.840 0.037 0.000 0.876 984 L CB 0.148 42.262 42.059 0.091 0.000 1.072 984 L HN 0.073 nan 8.230 nan 0.000 0.468 985 R N 1.094 121.623 120.500 0.049 0.000 2.458 985 R HA 0.083 4.422 4.340 -0.001 0.000 0.303 985 R C 1.101 177.421 176.300 0.035 0.000 1.013 985 R CA 0.937 57.077 56.100 0.066 0.000 1.026 985 R CB 0.189 30.535 30.300 0.076 0.000 0.948 985 R HN 0.305 nan 8.270 nan 0.000 0.417 986 G N 4.635 113.458 108.800 0.040 0.000 2.200 986 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.267 986 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.267 986 G C 0.641 175.537 174.900 -0.006 0.000 0.993 986 G CA 0.453 45.565 45.100 0.020 0.000 0.701 986 G HN 0.565 nan 8.290 nan 0.000 0.524 987 M N -0.325 119.260 119.600 -0.024 0.000 2.633 987 M HA 0.360 4.839 4.480 -0.001 0.000 0.226 987 M C 0.506 176.758 176.300 -0.081 0.000 1.137 987 M CA 0.446 55.717 55.300 -0.050 0.000 1.020 987 M CB -0.126 32.438 32.600 -0.060 0.000 1.675 987 M HN 0.101 nan 8.290 nan 0.000 0.500 988 V N 0.749 120.612 119.914 -0.085 0.000 2.817 988 V HA 0.236 4.355 4.120 -0.001 0.000 0.303 988 V C -0.675 175.389 176.094 -0.050 0.000 1.151 988 V CA -1.383 60.839 62.300 -0.131 0.000 0.929 988 V CB 2.741 34.347 31.823 -0.362 0.000 1.030 988 V HN 0.222 nan 8.190 nan 0.000 0.427 989 N N 4.925 123.609 118.700 -0.027 0.000 2.399 989 N HA 0.211 4.950 4.740 -0.001 0.000 0.259 989 N C 0.704 176.229 175.510 0.025 0.000 1.160 989 N CA -0.025 53.024 53.050 -0.000 0.000 0.946 989 N CB 0.747 39.229 38.487 -0.009 0.000 1.156 989 N HN 0.691 nan 8.380 nan 0.000 0.489 990 L N 1.639 122.886 121.223 0.041 0.000 2.675 990 L HA 0.004 4.344 4.340 -0.001 0.000 0.238 990 L C 0.789 177.692 176.870 0.055 0.000 1.155 990 L CA 0.452 55.334 54.840 0.069 0.000 0.881 990 L CB -0.208 41.892 42.059 0.068 0.000 1.008 990 L HN 0.510 nan 8.230 nan 0.000 0.443 991 D N -0.062 120.357 120.400 0.032 0.000 2.407 991 D HA -0.006 4.633 4.640 -0.001 0.000 0.208 991 D C 1.115 177.417 176.300 0.003 0.000 1.083 991 D CA 0.491 54.501 54.000 0.017 0.000 0.844 991 D CB 0.513 41.315 40.800 0.003 0.000 0.967 991 D HN 0.044 nan 8.370 nan 0.000 0.506 992 K N 0.067 120.473 120.400 0.010 0.000 2.792 992 K HA 0.264 4.583 4.320 -0.001 0.000 0.207 992 K C -0.994 175.641 176.600 0.059 0.000 1.103 992 K CA -0.175 56.106 56.287 -0.011 0.000 1.048 992 K CB 2.372 34.843 32.500 -0.048 0.000 0.777 992 K HN -0.107 nan 8.250 nan 0.000 0.468 993 V N 1.968 121.951 119.914 0.114 0.000 2.384 993 V HA 0.270 4.390 4.120 -0.001 0.000 0.287 993 V C -0.228 175.975 176.094 0.182 0.000 1.020 993 V CA -0.850 61.588 62.300 0.230 0.000 0.850 993 V CB 1.819 33.837 31.823 0.326 0.000 0.987 993 V HN -0.094 nan 8.190 nan 0.000 0.436 994 V N 6.081 126.132 119.914 0.229 0.000 2.427 994 V HA 0.558 4.677 4.120 -0.001 0.000 0.286 994 V C -0.132 176.046 176.094 0.140 0.000 1.034 994 V CA -0.517 61.901 62.300 0.196 0.000 0.893 994 V CB 1.760 33.787 31.823 0.340 0.000 0.982 994 V HN 0.550 nan 8.190 nan 0.000 0.452 995 V N 5.056 125.027 119.914 0.096 0.000 2.638 995 V HA 0.392 4.511 4.120 -0.001 0.000 0.306 995 V C -0.323 175.816 176.094 0.075 0.000 1.052 995 V CA -0.614 61.718 62.300 0.054 0.000 0.885 995 V CB 2.623 34.463 31.823 0.027 0.000 0.999 995 V HN 0.641 nan 8.190 nan 0.000 0.424 996 V N 4.353 124.314 119.914 0.078 0.000 2.387 996 V HA 0.176 4.295 4.120 -0.001 0.000 0.260 996 V C 1.196 177.384 176.094 0.157 0.000 1.054 996 V CA 0.657 63.017 62.300 0.100 0.000 0.967 996 V CB 0.778 32.655 31.823 0.089 0.000 1.036 996 V HN 1.058 nan 8.190 nan 0.000 0.481 997 T N 3.339 117.981 114.554 0.147 0.000 3.023 997 T HA 0.301 4.651 4.350 -0.001 0.000 0.249 997 T C 0.748 175.572 174.700 0.206 0.000 1.050 997 T CA 0.805 63.019 62.100 0.189 0.000 1.088 997 T CB 0.110 69.060 68.868 0.138 0.000 0.946 997 T HN 0.788 nan 8.240 nan 0.000 0.480 998 G N 0.839 109.692 108.800 0.090 0.000 2.569 998 G HA2 0.659 4.618 3.960 -0.001 0.000 0.300 998 G HA3 0.659 4.618 3.960 -0.001 0.000 0.300 998 G C -2.041 172.778 174.900 -0.136 0.000 1.269 998 G CA -0.428 44.680 45.100 0.013 0.000 0.959 998 G HN 0.286 nan 8.290 nan 0.000 0.478 999 L N 0.420 121.531 121.223 -0.187 0.000 2.676 999 L HA 0.686 5.026 4.340 -0.001 0.000 0.262 999 L C -0.895 175.917 176.870 -0.096 0.000 0.932 999 L CA -0.329 54.374 54.840 -0.228 0.000 0.932 999 L CB 1.174 42.895 42.059 -0.562 0.000 1.355 999 L HN 1.098 nan 8.230 nan 0.000 0.421 1000 A N 4.420 127.237 122.820 -0.005 0.000 2.588 1000 A HA 0.918 5.237 4.320 -0.001 0.000 0.290 1000 A C -1.500 176.132 177.584 0.080 0.000 1.136 1000 A CA -0.306 51.759 52.037 0.048 0.000 0.681 1000 A CB 2.309 21.370 19.000 0.101 0.000 1.282 1000 A HN 0.738 nan 8.150 nan 0.000 0.421 1001 E N -0.545 119.703 120.200 0.079 0.000 2.388 1001 E HA 0.571 4.921 4.350 -0.001 0.000 0.281 1001 E C -2.124 174.500 176.600 0.039 0.000 1.046 1001 E CA -0.725 55.739 56.400 0.107 0.000 0.825 1001 E CB 1.039 30.740 29.700 0.001 0.000 1.243 1001 E HN 0.399 nan 8.360 nan 0.000 0.438 1002 I N 1.372 121.977 120.570 0.058 0.000 2.466 1002 I HA 0.756 4.925 4.170 -0.001 0.000 0.289 1002 I C 0.162 176.193 176.117 -0.144 0.000 1.026 1002 I CA 0.099 61.328 61.300 -0.117 0.000 1.078 1002 I CB 1.857 39.705 38.000 -0.254 0.000 1.249 1002 I HN 0.796 nan 8.210 nan 0.000 0.429 1003 G N 5.254 113.883 108.800 -0.286 0.000 2.682 1003 G HA2 0.460 4.419 3.960 -0.001 0.000 0.303 1003 G HA3 0.460 4.419 3.960 -0.001 0.000 0.303 1003 G C -2.675 172.067 174.900 -0.264 0.000 1.341 1003 G CA -0.764 44.164 45.100 -0.287 0.000 0.784 1003 G HN 0.255 nan 8.290 nan 0.000 0.497 1004 P HA -0.009 nan 4.420 nan 0.000 0.223 1004 P C 0.479 177.506 177.300 -0.456 0.000 1.144 1004 P CA 1.181 64.101 63.100 -0.301 0.000 0.783 1004 P CB 0.150 31.684 31.700 -0.277 0.000 0.771 1005 W N -1.109 120.123 121.300 -0.113 0.000 3.008 1005 W HA 0.428 5.088 4.660 -0.001 0.000 0.355 1005 W C 0.975 177.524 176.519 0.050 0.000 1.095 1005 W CA 0.632 57.977 57.345 -0.002 0.000 1.738 1005 W CB 0.736 30.175 29.460 -0.035 0.000 1.091 1005 W HN -0.052 nan 8.180 nan 0.000 0.574 1006 G N 1.195 110.070 108.800 0.125 0.000 2.422 1006 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.607 1006 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.607 1006 G C -0.442 174.505 174.900 0.079 0.000 1.270 1006 G CA -0.764 44.426 45.100 0.149 0.000 0.992 1006 G HN 0.147 nan 8.290 nan 0.000 0.499 1007 N N 0.294 119.099 118.700 0.174 0.000 2.267 1007 N HA 0.464 5.204 4.740 -0.001 0.000 0.226 1007 N C 1.704 177.248 175.510 0.056 0.000 1.314 1007 N CA 1.103 54.230 53.050 0.128 0.000 0.887 1007 N CB 0.328 38.959 38.487 0.240 0.000 1.120 1007 N HN 1.732 nan 8.380 nan 0.000 0.440 1008 A N 0.465 123.291 122.820 0.010 0.000 1.986 1008 A HA -0.240 4.080 4.320 -0.001 0.000 0.220 1008 A C 2.141 179.739 177.584 0.024 0.000 1.171 1008 A CA 1.435 53.455 52.037 -0.028 0.000 0.640 1008 A CB -0.634 18.336 19.000 -0.050 0.000 0.811 1008 A HN 0.733 nan 8.150 nan 0.000 0.451 1009 R N -0.632 119.889 120.500 0.035 0.000 2.088 1009 R HA -0.137 4.202 4.340 -0.001 0.000 0.232 1009 R C 2.582 178.920 176.300 0.064 0.000 1.136 1009 R CA 2.178 58.299 56.100 0.035 0.000 0.926 1009 R CB -1.198 29.095 30.300 -0.012 0.000 0.837 1009 R HN 0.746 nan 8.270 nan 0.000 0.429 1010 T N -0.300 114.318 114.554 0.106 0.000 2.759 1010 T HA -0.167 4.182 4.350 -0.001 0.000 0.269 1010 T C 2.023 176.708 174.700 -0.024 0.000 1.042 1010 T CA 0.968 63.142 62.100 0.122 0.000 1.140 1010 T CB -0.220 68.876 68.868 0.380 0.000 0.864 1010 T HN 0.091 nan 8.240 nan 0.000 0.455 1011 R N 0.106 120.625 120.500 0.033 0.000 2.073 1011 R HA -0.098 4.242 4.340 -0.001 0.000 0.234 1011 R C 2.283 178.507 176.300 -0.127 0.000 1.134 1011 R CA 1.711 57.781 56.100 -0.050 0.000 0.952 1011 R CB -1.055 29.202 30.300 -0.071 0.000 0.850 1011 R HN 0.774 nan 8.270 nan 0.000 0.433 1012 W N 2.051 123.231 121.300 -0.200 0.000 2.335 1012 W HA -0.217 4.442 4.660 -0.001 0.000 0.311 1012 W C 1.506 177.904 176.519 -0.200 0.000 1.213 1012 W CA 1.511 58.754 57.345 -0.171 0.000 1.274 1012 W CB -0.195 29.196 29.460 -0.115 0.000 1.148 1012 W HN 0.227 nan 8.180 nan 0.000 0.498 1013 E N 0.213 120.225 120.200 -0.314 0.000 2.086 1013 E HA -0.341 4.008 4.350 -0.001 0.000 0.200 1013 E C 1.994 178.235 176.600 -0.598 0.000 1.012 1013 E CA 2.304 58.387 56.400 -0.530 0.000 0.812 1013 E CB -0.542 28.818 29.700 -0.567 0.000 0.743 1013 E HN 0.276 nan 8.360 nan 0.000 0.453 1014 M N 0.741 119.921 119.600 -0.701 0.000 2.123 1014 M HA -0.123 4.356 4.480 -0.001 0.000 0.263 1014 M C 2.034 177.999 176.300 -0.559 0.000 1.069 1014 M CA 1.568 56.432 55.300 -0.728 0.000 1.133 1014 M CB -0.005 31.972 32.600 -1.039 0.000 1.356 1014 M HN -0.021 nan 8.290 nan 0.000 0.415 1015 E N -0.620 119.259 120.200 -0.535 0.000 2.153 1015 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 1015 E C 1.495 177.835 176.600 -0.432 0.000 0.988 1015 E CA 1.370 57.519 56.400 -0.417 0.000 0.811 1015 E CB 0.008 29.525 29.700 -0.305 0.000 0.746 1015 E HN 0.586 nan 8.360 nan 0.000 0.466 1016 A N -0.383 122.023 122.820 -0.690 0.000 1.919 1016 A HA 0.046 4.365 4.320 -0.001 0.000 0.211 1016 A C 1.638 178.953 177.584 -0.449 0.000 1.310 1016 A CA 0.383 51.980 52.037 -0.734 0.000 0.651 1016 A CB -0.574 17.608 19.000 -1.364 0.000 0.996 1016 A HN 0.297 nan 8.150 nan 0.000 0.479 1017 Y N -0.530 119.458 120.300 -0.520 0.000 2.365 1017 Y HA 0.283 4.833 4.550 -0.001 0.000 0.293 1017 Y C 2.161 177.896 175.900 -0.275 0.000 1.119 1017 Y CA 0.627 58.523 58.100 -0.340 0.000 1.203 1017 Y CB -0.168 38.114 38.460 -0.296 0.000 1.026 1017 Y HN 0.526 nan 8.280 nan 0.000 0.549 1018 G N 0.065 108.762 108.800 -0.171 0.000 2.194 1018 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.236 1018 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.236 1018 G C 0.230 175.053 174.900 -0.128 0.000 0.987 1018 G CA 0.304 45.305 45.100 -0.164 0.000 0.635 1018 G HN 0.536 nan 8.290 nan 0.000 0.520 1019 K N -1.327 118.996 120.400 -0.129 0.000 2.578 1019 K HA 0.728 5.047 4.320 -0.001 0.000 0.287 1019 K C -1.245 175.294 176.600 -0.101 0.000 1.010 1019 K CA -1.289 54.982 56.287 -0.027 0.000 0.889 1019 K CB 0.605 33.143 32.500 0.063 0.000 1.514 1019 K HN 0.032 nan 8.250 nan 0.000 0.424 1020 F N 2.004 121.944 119.950 -0.018 0.000 2.410 1020 F HA 0.275 4.801 4.527 -0.001 0.000 0.348 1020 F C 0.989 176.785 175.800 -0.006 0.000 1.106 1020 F CA 0.025 58.019 58.000 -0.009 0.000 1.163 1020 F CB 1.676 40.701 39.000 0.043 0.000 1.129 1020 F HN 0.675 nan 8.300 nan 0.000 0.516 1021 S N 4.039 119.787 115.700 0.081 0.000 2.608 1021 S HA 0.094 4.564 4.470 -0.001 0.000 0.261 1021 S C 1.207 175.884 174.600 0.128 0.000 1.314 1021 S CA -0.847 57.390 58.200 0.062 0.000 0.992 1021 S CB 0.678 63.868 63.200 -0.018 0.000 0.935 1021 S HN 0.722 nan 8.310 nan 0.000 0.564 1022 L N 0.519 121.802 121.223 0.100 0.000 2.079 1022 L HA -0.098 4.242 4.340 -0.001 0.000 0.210 1022 L C 2.356 179.307 176.870 0.135 0.000 1.081 1022 L CA 2.156 57.063 54.840 0.112 0.000 0.752 1022 L CB -1.607 40.508 42.059 0.095 0.000 0.896 1022 L HN 0.830 nan 8.230 nan 0.000 0.433 1023 E N -0.355 119.918 120.200 0.122 0.000 2.085 1023 E HA -0.150 4.199 4.350 -0.001 0.000 0.194 1023 E C 2.061 178.759 176.600 0.163 0.000 0.994 1023 E CA 1.330 57.811 56.400 0.136 0.000 0.801 1023 E CB -0.568 29.188 29.700 0.094 0.000 0.743 1023 E HN 0.589 nan 8.360 nan 0.000 0.453 1024 G N -0.247 108.663 108.800 0.184 0.000 2.404 1024 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.215 1024 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.215 1024 G C 1.797 176.910 174.900 0.355 0.000 1.174 1024 G CA 0.892 46.183 45.100 0.319 0.000 0.780 1024 G HN 0.344 nan 8.290 nan 0.000 0.537 1025 C N -0.069 119.391 119.300 0.266 0.000 2.393 1025 C HA -0.083 4.376 4.460 -0.001 0.000 0.276 1025 C C 3.090 178.137 174.990 0.096 0.000 1.215 1025 C CA 1.000 60.090 59.018 0.120 0.000 1.743 1025 C CB -1.008 26.793 27.740 0.102 0.000 2.044 1025 C HN 0.289 nan 8.230 nan 0.000 0.464 1026 V N 0.557 120.539 119.914 0.112 0.000 2.324 1026 V HA -0.264 3.855 4.120 -0.001 0.000 0.250 1026 V C 2.421 178.562 176.094 0.078 0.000 1.060 1026 V CA 2.092 64.427 62.300 0.058 0.000 1.042 1026 V CB -0.741 31.176 31.823 0.157 0.000 0.650 1026 V HN 0.609 nan 8.190 nan 0.000 0.450 1027 E N -0.675 119.625 120.200 0.166 0.000 2.038 1027 E HA -0.227 4.122 4.350 -0.001 0.000 0.195 1027 E C 2.349 179.105 176.600 0.260 0.000 1.000 1027 E CA 1.550 58.081 56.400 0.219 0.000 0.803 1027 E CB -0.193 29.654 29.700 0.244 0.000 0.750 1027 E HN 0.426 nan 8.360 nan 0.000 0.448 1028 M N 0.224 119.946 119.600 0.203 0.000 2.065 1028 M HA -0.141 4.338 4.480 -0.001 0.000 0.259 1028 M C 2.534 178.849 176.300 0.025 0.000 1.069 1028 M CA 1.317 56.697 55.300 0.132 0.000 1.110 1028 M CB -1.157 31.444 32.600 0.001 0.000 1.328 1028 M HN 0.075 nan 8.290 nan 0.000 0.405 1029 A N -1.103 121.694 122.820 -0.037 0.000 2.076 1029 A HA -0.223 4.096 4.320 -0.001 0.000 0.220 1029 A C 2.003 179.452 177.584 -0.226 0.000 1.160 1029 A CA 1.523 53.455 52.037 -0.174 0.000 0.653 1029 A CB -1.145 17.792 19.000 -0.105 0.000 0.801 1029 A HN 0.741 nan 8.150 nan 0.000 0.455 1030 W N 0.911 122.026 121.300 -0.310 0.000 2.441 1030 W HA -0.141 4.519 4.660 -0.001 0.000 0.302 1030 W C 2.303 178.653 176.519 -0.282 0.000 1.191 1030 W CA 1.871 59.005 57.345 -0.353 0.000 1.327 1030 W CB -0.224 29.056 29.460 -0.300 0.000 1.128 1030 W HN 0.404 nan 8.180 nan 0.000 0.522 1031 M N -0.664 118.858 119.600 -0.130 0.000 2.254 1031 M HA -0.025 4.454 4.480 -0.001 0.000 0.265 1031 M C 1.779 177.864 176.300 -0.359 0.000 1.066 1031 M CA 1.632 56.671 55.300 -0.434 0.000 1.123 1031 M CB -0.852 31.848 32.600 0.165 0.000 1.388 1031 M HN 0.007 nan 8.290 nan 0.000 0.425 1032 M N 1.107 120.579 119.600 -0.213 0.000 2.460 1032 M HA 0.086 4.566 4.480 -0.001 0.000 0.263 1032 M C 0.973 177.062 176.300 -0.352 0.000 1.071 1032 M CA 1.298 56.468 55.300 -0.216 0.000 1.096 1032 M CB -0.251 32.229 32.600 -0.200 0.000 1.408 1032 M HN 0.771 nan 8.290 nan 0.000 0.463 1033 G N 0.789 109.312 108.800 -0.463 0.000 2.171 1033 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.238 1033 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.238 1033 G C 0.374 175.000 174.900 -0.458 0.000 1.039 1033 G CA -0.134 44.676 45.100 -0.483 0.000 0.759 1033 G HN 0.478 nan 8.290 nan 0.000 0.501 1034 L N -0.511 120.390 121.223 -0.537 0.000 2.477 1034 L HA 0.438 4.778 4.340 -0.001 0.000 0.220 1034 L C 1.407 177.958 176.870 -0.532 0.000 1.106 1034 L CA 0.573 55.007 54.840 -0.678 0.000 0.851 1034 L CB -0.108 41.285 42.059 -1.110 0.000 0.994 1034 L HN 0.574 nan 8.230 nan 0.000 0.462 1035 I N -1.384 118.937 120.570 -0.415 0.000 2.656 1035 I HA 0.483 4.652 4.170 -0.001 0.000 0.292 1035 I C -1.222 174.777 176.117 -0.197 0.000 1.144 1035 I CA -0.828 60.311 61.300 -0.269 0.000 1.038 1035 I CB 2.201 39.973 38.000 -0.380 0.000 1.244 1035 I HN -0.026 nan 8.210 nan 0.000 0.420 1036 K N 3.360 123.793 120.400 0.055 0.000 2.422 1036 K HA 0.424 4.744 4.320 -0.001 0.000 0.251 1036 K C -1.214 175.698 176.600 0.520 0.000 0.933 1036 K CA -0.769 55.659 56.287 0.236 0.000 0.798 1036 K CB 2.262 34.806 32.500 0.074 0.000 1.238 1036 K HN 0.640 nan 8.250 nan 0.000 0.428 1037 N N 2.470 121.551 118.700 0.636 0.000 2.483 1037 N HA -0.048 4.692 4.740 -0.001 0.000 0.264 1037 N C -1.094 174.582 175.510 0.276 0.000 1.197 1037 N CA 0.262 53.543 53.050 0.385 0.000 0.927 1037 N CB 0.446 38.995 38.487 0.102 0.000 1.065 1037 N HN 0.645 nan 8.380 nan 0.000 0.461 1038 H N 3.299 122.456 119.070 0.145 0.000 2.622 1038 H HA 0.272 4.828 4.556 -0.001 0.000 0.363 1038 H C -1.183 174.167 175.328 0.036 0.000 1.151 1038 H CA -0.580 55.538 56.048 0.117 0.000 1.184 1038 H CB 1.267 31.147 29.762 0.197 0.000 1.643 1038 H HN 0.688 nan 8.280 nan 0.000 0.531 1039 N N 3.263 121.552 118.700 -0.685 0.000 2.751 1039 N HA 0.322 5.061 4.740 -0.001 0.000 0.238 1039 N C -1.385 173.841 175.510 -0.473 0.000 1.351 1039 N CA -0.144 52.626 53.050 -0.466 0.000 0.751 1039 N CB 0.847 39.184 38.487 -0.250 0.000 1.342 1039 N HN 0.898 nan 8.380 nan 0.000 0.540 1040 G N 1.814 110.340 108.800 -0.455 0.000 2.320 1040 G HA2 0.225 4.184 3.960 -0.001 0.000 0.296 1040 G HA3 0.225 4.184 3.960 -0.001 0.000 0.296 1040 G C -3.317 171.629 174.900 0.078 0.000 1.306 1040 G CA -0.659 44.343 45.100 -0.162 0.000 0.836 1040 G HN 0.085 nan 8.290 nan 0.000 0.517 1041 P HA 0.347 nan 4.420 nan 0.000 0.265 1041 P C -0.458 176.988 177.300 0.242 0.000 1.193 1041 P CA 0.058 63.251 63.100 0.155 0.000 0.765 1041 P CB 0.620 32.377 31.700 0.094 0.000 0.823 1042 L N 4.733 126.071 121.223 0.191 0.000 2.427 1042 L HA 0.259 4.599 4.340 -0.001 0.000 0.264 1042 L C 0.092 176.978 176.870 0.026 0.000 0.989 1042 L CA -0.552 54.347 54.840 0.099 0.000 0.865 1042 L CB 0.753 42.848 42.059 0.060 0.000 1.209 1042 L HN 0.534 nan 8.230 nan 0.000 0.430 1043 K N 2.834 123.241 120.400 0.013 0.000 3.244 1043 K HA -0.244 4.075 4.320 -0.001 0.000 0.270 1043 K C 0.834 177.444 176.600 0.016 0.000 1.016 1043 K CA 0.474 56.763 56.287 0.002 0.000 0.754 1043 K CB -1.374 31.115 32.500 -0.019 0.000 1.326 1043 K HN 1.129 nan 8.250 nan 0.000 0.465 1044 G N 0.732 109.550 108.800 0.031 0.000 5.347 1044 G HA2 -0.430 3.530 3.960 -0.001 0.000 0.299 1044 G HA3 -0.430 3.530 3.960 -0.001 0.000 0.299 1044 G C 0.065 174.992 174.900 0.045 0.000 1.492 1044 G CA 0.429 45.548 45.100 0.032 0.000 0.991 1044 G HN 0.430 nan 8.290 nan 0.000 0.749 1045 K N 3.214 123.640 120.400 0.044 0.000 2.491 1045 K HA 0.334 4.654 4.320 -0.001 0.000 0.279 1045 K C -2.007 174.650 176.600 0.094 0.000 1.026 1045 K CA -0.515 55.806 56.287 0.058 0.000 1.070 1045 K CB 0.489 33.019 32.500 0.050 0.000 0.887 1045 K HN 0.223 nan 8.250 nan 0.000 0.481 1046 P HA 0.062 nan 4.420 nan 0.000 0.271 1046 P C -1.569 175.857 177.300 0.211 0.000 1.244 1046 P CA 0.030 63.203 63.100 0.121 0.000 0.793 1046 P CB 0.236 31.974 31.700 0.063 0.000 0.984 1047 Y N -0.846 119.473 120.300 0.031 0.000 2.583 1047 Y HA 0.424 4.974 4.550 -0.001 0.000 0.330 1047 Y C -1.536 174.369 175.900 0.007 0.000 1.185 1047 Y CA -0.418 57.708 58.100 0.043 0.000 1.107 1047 Y CB 0.870 39.390 38.460 0.100 0.000 1.344 1047 Y HN 0.522 nan 8.280 nan 0.000 0.463 1048 S N 3.760 118.937 115.700 -0.871 0.000 2.588 1048 S HA 0.998 5.468 4.470 -0.001 0.000 0.275 1048 S C -0.307 173.730 174.600 -0.939 0.000 1.130 1048 S CA 0.078 57.865 58.200 -0.689 0.000 0.855 1048 S CB 1.712 64.681 63.200 -0.385 0.000 1.116 1048 S HN 2.369 nan 8.310 nan 0.000 0.472 1049 G N 0.685 109.190 108.800 -0.493 0.000 2.409 1049 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.421 1049 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.421 1049 G C -1.045 173.854 174.900 -0.003 0.000 1.259 1049 G CA -0.624 44.255 45.100 -0.369 0.000 1.011 1049 G HN 0.923 nan 8.290 nan 0.000 0.497 1050 W N -0.592 120.795 121.300 0.144 0.000 2.193 1050 W HA 0.472 5.131 4.660 -0.001 0.000 0.338 1050 W C 0.551 177.230 176.519 0.266 0.000 1.310 1050 W CA -0.530 56.931 57.345 0.194 0.000 1.243 1050 W CB 0.975 30.536 29.460 0.169 0.000 1.165 1050 W HN 0.343 nan 8.180 nan 0.000 0.566 1051 V N 3.299 123.536 119.914 0.538 0.000 2.841 1051 V HA 0.059 4.178 4.120 -0.001 0.000 0.310 1051 V C -0.397 175.802 176.094 0.176 0.000 1.090 1051 V CA -0.912 61.572 62.300 0.306 0.000 0.930 1051 V CB 1.994 33.966 31.823 0.249 0.000 1.014 1051 V HN 0.348 nan 8.190 nan 0.000 0.425 1052 D N 2.732 123.200 120.400 0.112 0.000 2.417 1052 D HA 0.260 4.900 4.640 -0.001 0.000 0.250 1052 D C 0.961 177.248 176.300 -0.021 0.000 1.166 1052 D CA 0.657 54.693 54.000 0.061 0.000 0.881 1052 D CB 2.061 42.913 40.800 0.087 0.000 1.164 1052 D HN 0.656 nan 8.370 nan 0.000 0.467 1053 A N 5.860 128.622 122.820 -0.097 0.000 1.902 1053 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 1053 A C 1.991 179.512 177.584 -0.105 0.000 1.181 1053 A CA 1.122 53.087 52.037 -0.120 0.000 0.623 1053 A CB -0.095 18.785 19.000 -0.199 0.000 0.818 1053 A HN 0.527 nan 8.150 nan 0.000 0.443 1054 K N -0.390 119.945 120.400 -0.109 0.000 1.979 1054 K HA -0.037 4.282 4.320 -0.001 0.000 0.213 1054 K C 1.124 177.691 176.600 -0.055 0.000 1.036 1054 K CA 1.236 57.473 56.287 -0.083 0.000 0.954 1054 K CB -1.445 31.008 32.500 -0.079 0.000 0.743 1054 K HN 0.373 nan 8.250 nan 0.000 0.443 1055 T N 0.940 115.473 114.554 -0.035 0.000 2.769 1055 T HA 0.178 4.527 4.350 -0.001 0.000 0.293 1055 T C 1.203 175.880 174.700 -0.038 0.000 0.931 1055 T CA -0.066 62.016 62.100 -0.029 0.000 1.139 1055 T CB 0.611 69.471 68.868 -0.012 0.000 0.881 1055 T HN 0.390 nan 8.240 nan 0.000 0.532 1056 G N 4.383 113.149 108.800 -0.057 0.000 2.615 1056 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.213 1056 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.213 1056 G C 0.643 175.485 174.900 -0.095 0.000 1.135 1056 G CA 0.076 45.126 45.100 -0.084 0.000 0.772 1056 G HN 0.737 nan 8.290 nan 0.000 0.542 1057 E N 0.717 120.876 120.200 -0.068 0.000 2.425 1057 E HA 0.133 4.482 4.350 -0.001 0.000 0.258 1057 E C -2.221 174.337 176.600 -0.069 0.000 1.151 1057 E CA -1.350 55.000 56.400 -0.082 0.000 0.958 1057 E CB 0.196 29.865 29.700 -0.052 0.000 0.968 1057 E HN 0.105 nan 8.360 nan 0.000 0.451 1058 P HA 0.262 nan 4.420 nan 0.000 0.281 1058 P C -0.851 176.481 177.300 0.053 0.000 1.264 1058 P CA -0.472 62.576 63.100 -0.087 0.000 0.824 1058 P CB 0.867 32.269 31.700 -0.496 0.000 1.092 1059 V N 1.204 121.234 119.914 0.193 0.000 2.733 1059 V HA 0.259 4.378 4.120 -0.001 0.000 0.306 1059 V C -0.783 175.452 176.094 0.234 0.000 1.084 1059 V CA -0.581 61.823 62.300 0.172 0.000 0.905 1059 V CB 2.138 34.065 31.823 0.173 0.000 1.010 1059 V HN 0.436 nan 8.190 nan 0.000 0.424 1060 D N 2.675 123.165 120.400 0.151 0.000 2.256 1060 D HA 0.252 4.891 4.640 -0.001 0.000 0.250 1060 D C 0.598 176.991 176.300 0.155 0.000 1.093 1060 D CA -0.202 53.893 54.000 0.159 0.000 0.882 1060 D CB 1.908 42.769 40.800 0.101 0.000 1.185 1060 D HN 0.564 nan 8.370 nan 0.000 0.437 1061 D N 1.267 121.793 120.400 0.210 0.000 2.149 1061 D HA -0.242 4.397 4.640 -0.001 0.000 0.194 1061 D C 1.873 178.242 176.300 0.115 0.000 1.001 1061 D CA 1.538 55.663 54.000 0.208 0.000 0.849 1061 D CB 0.005 40.937 40.800 0.220 0.000 0.939 1061 D HN 0.556 nan 8.370 nan 0.000 0.449 1062 K N 0.354 120.807 120.400 0.088 0.000 2.209 1062 K HA -0.139 4.180 4.320 -0.001 0.000 0.204 1062 K C 0.816 177.431 176.600 0.025 0.000 1.048 1062 K CA 1.487 57.808 56.287 0.056 0.000 0.940 1062 K CB 0.072 32.602 32.500 0.049 0.000 0.729 1062 K HN 0.050 nan 8.250 nan 0.000 0.451 1063 D N 0.884 121.288 120.400 0.007 0.000 2.271 1063 D HA -0.034 4.605 4.640 -0.001 0.000 0.206 1063 D C 2.052 178.275 176.300 -0.127 0.000 0.967 1063 D CA 0.409 54.378 54.000 -0.052 0.000 0.867 1063 D CB -0.038 40.726 40.800 -0.060 0.000 0.960 1063 D HN 0.026 nan 8.370 nan 0.000 0.509 1064 V N 1.620 121.473 119.914 -0.103 0.000 2.250 1064 V HA -0.345 3.775 4.120 -0.001 0.000 0.253 1064 V C 2.545 178.547 176.094 -0.153 0.000 1.065 1064 V CA 2.054 64.252 62.300 -0.170 0.000 1.039 1064 V CB -0.379 31.439 31.823 -0.008 0.000 0.647 1064 V HN 0.163 nan 8.190 nan 0.000 0.446 1065 K N -0.672 119.702 120.400 -0.044 0.000 2.063 1065 K HA -0.187 4.132 4.320 -0.001 0.000 0.208 1065 K C 2.149 178.729 176.600 -0.034 0.000 1.048 1065 K CA 1.538 57.822 56.287 -0.006 0.000 0.928 1065 K CB -0.345 32.174 32.500 0.032 0.000 0.713 1065 K HN 0.495 nan 8.250 nan 0.000 0.442 1066 A N 1.326 124.106 122.820 -0.066 0.000 1.845 1066 A HA -0.184 4.136 4.320 -0.001 0.000 0.215 1066 A C 1.934 179.460 177.584 -0.096 0.000 1.195 1066 A CA 1.632 53.632 52.037 -0.061 0.000 0.616 1066 A CB -0.447 18.518 19.000 -0.059 0.000 0.832 1066 A HN 0.237 nan 8.150 nan 0.000 0.443 1067 K N -1.417 118.841 120.400 -0.237 0.000 1.969 1067 K HA -0.172 4.147 4.320 -0.001 0.000 0.216 1067 K C 1.898 178.436 176.600 -0.102 0.000 1.048 1067 K CA 2.147 58.243 56.287 -0.319 0.000 0.948 1067 K CB -0.436 31.526 32.500 -0.898 0.000 0.726 1067 K HN 0.616 nan 8.250 nan 0.000 0.442 1068 Y N 0.549 120.842 120.300 -0.010 0.000 2.503 1068 Y HA 0.047 4.597 4.550 -0.001 0.000 0.278 1068 Y C 2.126 178.041 175.900 0.025 0.000 1.111 1068 Y CA 0.102 58.190 58.100 -0.021 0.000 1.270 1068 Y CB -0.597 37.797 38.460 -0.110 0.000 1.063 1068 Y HN 0.261 nan 8.280 nan 0.000 0.548 1069 E N 1.516 121.794 120.200 0.129 0.000 2.070 1069 E HA -0.334 4.016 4.350 -0.001 0.000 0.197 1069 E C 2.186 178.854 176.600 0.115 0.000 1.004 1069 E CA 1.939 58.389 56.400 0.083 0.000 0.805 1069 E CB 0.001 29.737 29.700 0.061 0.000 0.744 1069 E HN 0.426 nan 8.360 nan 0.000 0.451 1070 K N -0.211 120.264 120.400 0.126 0.000 2.020 1070 K HA -0.280 4.039 4.320 -0.001 0.000 0.212 1070 K C 2.138 178.834 176.600 0.160 0.000 1.050 1070 K CA 1.961 58.319 56.287 0.120 0.000 0.929 1070 K CB -0.651 31.912 32.500 0.106 0.000 0.714 1070 K HN 0.325 nan 8.250 nan 0.000 0.443 1071 Y N 1.187 121.540 120.300 0.088 0.000 2.049 1071 Y HA -0.259 4.290 4.550 -0.001 0.000 0.277 1071 Y C 1.985 177.946 175.900 0.101 0.000 1.143 1071 Y CA 2.179 60.355 58.100 0.128 0.000 1.115 1071 Y CB -0.131 38.403 38.460 0.123 0.000 0.975 1071 Y HN 0.052 nan 8.280 nan 0.000 0.487 1072 I N 0.377 121.215 120.570 0.447 0.000 2.113 1072 I HA -0.416 3.753 4.170 -0.001 0.000 0.242 1072 I C 2.324 178.517 176.117 0.127 0.000 1.057 1072 I CA 1.960 63.400 61.300 0.234 0.000 1.314 1072 I CB -0.913 37.076 38.000 -0.019 0.000 1.022 1072 I HN 0.382 nan 8.210 nan 0.000 0.408 1073 L N 0.160 121.441 121.223 0.096 0.000 2.093 1073 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 1073 L C 2.606 179.502 176.870 0.043 0.000 1.085 1073 L CA 1.339 56.262 54.840 0.139 0.000 0.755 1073 L CB -0.629 41.538 42.059 0.181 0.000 0.904 1073 L HN 0.317 nan 8.230 nan 0.000 0.435 1074 E N -0.640 119.544 120.200 -0.026 0.000 2.274 1074 E HA -0.169 4.180 4.350 -0.001 0.000 0.194 1074 E C 1.037 177.393 176.600 -0.408 0.000 0.996 1074 E CA 0.681 56.956 56.400 -0.209 0.000 0.840 1074 E CB 0.247 29.781 29.700 -0.276 0.000 0.772 1074 E HN 0.580 nan 8.360 nan 0.000 0.491 1075 H N -0.283 118.711 119.070 -0.128 0.000 2.512 1075 H HA 0.223 4.779 4.556 -0.001 0.000 0.276 1075 H C -0.271 174.999 175.328 -0.096 0.000 1.126 1075 H CA 0.263 56.241 56.048 -0.117 0.000 1.060 1075 H CB 0.657 30.360 29.762 -0.098 0.000 1.646 1075 H HN 0.053 nan 8.280 nan 0.000 0.571 1076 S N -1.425 114.197 115.700 -0.129 0.000 2.651 1076 S HA 0.744 5.214 4.470 -0.001 0.000 0.279 1076 S C 0.456 174.601 174.600 -0.759 0.000 1.148 1076 S CA -0.292 57.688 58.200 -0.367 0.000 0.837 1076 S CB 3.221 66.219 63.200 -0.337 0.000 1.138 1076 S HN 0.468 nan 8.310 nan 0.000 0.478 1077 G N 0.372 108.474 108.800 -1.163 0.000 2.512 1077 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.210 1077 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.210 1077 G C -0.912 173.713 174.900 -0.459 0.000 1.295 1077 G CA -0.479 43.869 45.100 -1.253 0.000 0.934 1077 G HN 1.136 nan 8.290 nan 0.000 0.554 1078 I N 2.556 123.019 120.570 -0.178 0.000 2.337 1078 I HA 0.449 4.618 4.170 -0.001 0.000 0.291 1078 I C 1.113 177.186 176.117 -0.073 0.000 1.046 1078 I CA -0.222 61.030 61.300 -0.081 0.000 1.324 1078 I CB 0.493 38.498 38.000 0.008 0.000 1.409 1078 I HN 0.708 nan 8.210 nan 0.000 0.494 1079 R N 5.301 125.754 120.500 -0.080 0.000 2.947 1079 R HA 0.670 5.010 4.340 -0.001 0.000 0.253 1079 R C -1.082 175.210 176.300 -0.013 0.000 1.208 1079 R CA -1.173 54.897 56.100 -0.050 0.000 1.012 1079 R CB 1.022 31.273 30.300 -0.082 0.000 1.267 1079 R HN 0.280 nan 8.270 nan 0.000 0.473 1080 L N 1.697 122.929 121.223 0.015 0.000 2.453 1080 L HA 0.185 4.524 4.340 -0.001 0.000 0.272 1080 L C 0.455 177.347 176.870 0.038 0.000 1.182 1080 L CA -0.177 54.685 54.840 0.037 0.000 0.858 1080 L CB 0.333 42.409 42.059 0.028 0.000 1.120 1080 L HN 0.403 nan 8.230 nan 0.000 0.474 1081 I N 3.491 124.088 120.570 0.045 0.000 2.741 1081 I HA -0.060 4.109 4.170 -0.001 0.000 0.288 1081 I C 0.408 176.625 176.117 0.167 0.000 1.192 1081 I CA 0.411 61.776 61.300 0.108 0.000 1.426 1081 I CB -0.006 38.056 38.000 0.103 0.000 1.367 1081 I HN 0.603 nan 8.210 nan 0.000 0.563 1082 E N 8.724 129.088 120.200 0.273 0.000 2.115 1082 E HA 0.186 4.536 4.350 -0.001 0.000 0.282 1082 E C -1.786 175.020 176.600 0.344 0.000 0.987 1082 E CA -1.680 54.862 56.400 0.237 0.000 0.797 1082 E CB 1.214 31.027 29.700 0.189 0.000 1.086 1082 E HN 0.401 nan 8.360 nan 0.000 0.397 1083 P HA -0.163 nan 4.420 nan 0.000 0.219 1083 P C 0.605 178.058 177.300 0.255 0.000 1.150 1083 P CA 1.019 64.291 63.100 0.287 0.000 0.814 1083 P CB 0.287 32.078 31.700 0.152 0.000 0.787 1084 E N 0.143 120.436 120.200 0.155 0.000 2.171 1084 E HA -0.157 4.192 4.350 -0.001 0.000 0.197 1084 E C 1.676 178.307 176.600 0.051 0.000 0.997 1084 E CA 0.909 57.361 56.400 0.088 0.000 0.810 1084 E CB -0.811 28.919 29.700 0.050 0.000 0.738 1084 E HN 0.312 nan 8.360 nan 0.000 0.467 1085 L N -0.442 120.796 121.223 0.025 0.000 2.552 1085 L HA 0.032 4.371 4.340 -0.001 0.000 0.227 1085 L C 0.630 177.184 176.870 -0.527 0.000 1.146 1085 L CA 0.362 55.050 54.840 -0.252 0.000 0.858 1085 L CB 0.150 41.990 42.059 -0.364 0.000 0.969 1085 L HN 0.074 nan 8.230 nan 0.000 0.451 1086 F N -0.902 119.156 119.950 0.180 0.000 2.777 1086 F HA 0.347 4.873 4.527 -0.001 0.000 0.361 1086 F C 1.381 177.271 175.800 0.150 0.000 1.254 1086 F CA -0.442 57.674 58.000 0.193 0.000 1.181 1086 F CB 0.521 39.700 39.000 0.298 0.000 1.082 1086 F HN -0.026 nan 8.300 nan 0.000 0.510 1087 G N 0.667 109.586 108.800 0.199 0.000 2.321 1087 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.287 1087 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.287 1087 G C 1.232 176.230 174.900 0.164 0.000 1.018 1087 G CA 0.587 45.773 45.100 0.143 0.000 0.855 1087 G HN 1.365 nan 8.290 nan 0.000 0.507 1088 G N -2.226 106.696 108.800 0.204 0.000 2.201 1088 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.212 1088 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.212 1088 G C 0.445 175.476 174.900 0.217 0.000 0.994 1088 G CA 0.312 45.515 45.100 0.172 0.000 0.644 1088 G HN 1.845 nan 8.290 nan 0.000 0.508 1089 Y N 2.449 122.844 120.300 0.158 0.000 2.811 1089 Y HA 0.420 4.970 4.550 -0.001 0.000 0.334 1089 Y C -0.134 175.839 175.900 0.121 0.000 1.247 1089 Y CA 0.385 58.557 58.100 0.119 0.000 1.526 1089 Y CB 0.756 39.277 38.460 0.101 0.000 1.284 1089 Y HN 0.166 nan 8.280 nan 0.000 0.586 1090 D N 8.031 128.168 120.400 -0.438 0.000 2.478 1090 D HA 0.264 4.903 4.640 -0.001 0.000 0.240 1090 D C -2.451 173.515 176.300 -0.557 0.000 1.364 1090 D CA -1.998 51.752 54.000 -0.417 0.000 0.987 1090 D CB 1.990 42.706 40.800 -0.140 0.000 1.328 1090 D HN 0.230 nan 8.370 nan 0.000 0.584 1091 P HA -0.053 nan 4.420 nan 0.000 0.223 1091 P C 0.896 178.185 177.300 -0.018 0.000 1.144 1091 P CA 0.648 63.597 63.100 -0.252 0.000 0.783 1091 P CB 0.346 32.017 31.700 -0.048 0.000 0.771 1092 N N -0.172 118.478 118.700 -0.083 0.000 2.515 1092 N HA -0.036 4.704 4.740 -0.001 0.000 0.185 1092 N C 0.619 176.120 175.510 -0.014 0.000 1.109 1092 N CA 0.579 53.610 53.050 -0.032 0.000 0.903 1092 N CB 0.042 38.495 38.487 -0.058 0.000 0.969 1092 N HN 0.343 nan 8.380 nan 0.000 0.450 1093 R N -0.239 120.242 120.500 -0.033 0.000 2.655 1093 R HA 0.271 4.610 4.340 -0.001 0.000 0.261 1093 R C -0.809 175.493 176.300 0.004 0.000 1.624 1093 R CA -0.700 55.395 56.100 -0.008 0.000 1.655 1093 R CB 0.008 30.299 30.300 -0.015 0.000 1.356 1093 R HN -0.290 nan 8.270 nan 0.000 0.684 1094 K N 2.334 122.756 120.400 0.037 0.000 2.419 1094 K HA -0.065 4.254 4.320 -0.001 0.000 0.282 1094 K C -0.321 176.275 176.600 -0.007 0.000 1.056 1094 K CA 0.308 56.620 56.287 0.041 0.000 1.035 1094 K CB 0.688 33.205 32.500 0.029 0.000 0.921 1094 K HN 0.524 nan 8.250 nan 0.000 0.472 1095 Q N 5.084 124.878 119.800 -0.010 0.000 2.267 1095 Q HA 0.328 4.667 4.340 -0.001 0.000 0.255 1095 Q C -0.945 175.011 176.000 -0.073 0.000 0.923 1095 Q CA -0.441 55.346 55.803 -0.027 0.000 0.925 1095 Q CB 0.591 29.326 28.738 -0.004 0.000 1.195 1095 Q HN 0.594 nan 8.270 nan 0.000 0.417 1096 L N 3.674 124.861 121.223 -0.061 0.000 2.283 1096 L HA 0.595 4.935 4.340 -0.001 0.000 0.259 1096 L C -0.748 176.102 176.870 -0.034 0.000 1.027 1096 L CA -1.298 53.499 54.840 -0.071 0.000 0.828 1096 L CB 1.848 43.861 42.059 -0.077 0.000 1.380 1096 L HN 0.661 nan 8.230 nan 0.000 0.425 1097 L N 1.075 122.283 121.223 -0.025 0.000 2.346 1097 L HA 0.526 4.865 4.340 -0.001 0.000 0.274 1097 L C -0.625 176.245 176.870 -0.000 0.000 1.007 1097 L CA -0.481 54.358 54.840 -0.002 0.000 0.818 1097 L CB 2.038 44.109 42.059 0.019 0.000 1.284 1097 L HN 0.561 nan 8.230 nan 0.000 0.424 1098 Q N 2.144 121.947 119.800 0.006 0.000 2.333 1098 Q HA 0.280 4.620 4.340 -0.001 0.000 0.267 1098 Q C -1.014 174.997 176.000 0.018 0.000 1.012 1098 Q CA -0.674 55.134 55.803 0.009 0.000 0.824 1098 Q CB 1.936 30.677 28.738 0.005 0.000 1.290 1098 Q HN 0.519 nan 8.270 nan 0.000 0.449 1099 E N 2.271 122.484 120.200 0.022 0.000 2.351 1099 E HA 0.155 4.505 4.350 -0.001 0.000 0.266 1099 E C -0.977 175.638 176.600 0.025 0.000 1.031 1099 E CA -0.013 56.405 56.400 0.031 0.000 0.911 1099 E CB 1.091 30.812 29.700 0.035 0.000 0.986 1099 E HN 0.282 nan 8.360 nan 0.000 0.446 1100 V N 4.154 124.083 119.914 0.026 0.000 2.487 1100 V HA 0.133 4.253 4.120 -0.001 0.000 0.298 1100 V C -0.031 176.076 176.094 0.021 0.000 1.028 1100 V CA -0.887 61.424 62.300 0.019 0.000 0.860 1100 V CB 1.954 33.784 31.823 0.012 0.000 0.991 1100 V HN 0.392 nan 8.190 nan 0.000 0.427 1101 V N 6.685 126.611 119.914 0.019 0.000 2.356 1101 V HA 0.272 4.392 4.120 -0.001 0.000 0.258 1101 V C 0.528 176.627 176.094 0.007 0.000 1.065 1101 V CA -0.253 62.058 62.300 0.018 0.000 0.935 1101 V CB 0.770 32.605 31.823 0.020 0.000 1.061 1101 V HN 0.789 nan 8.190 nan 0.000 0.484 1102 I N 1.999 122.568 120.570 -0.000 0.000 2.815 1102 I HA 0.137 4.306 4.170 -0.001 0.000 0.291 1102 I C 0.561 176.674 176.117 -0.007 0.000 1.209 1102 I CA 0.438 61.733 61.300 -0.008 0.000 1.431 1102 I CB 0.534 38.522 38.000 -0.020 0.000 1.351 1102 I HN 0.602 nan 8.210 nan 0.000 0.585 1103 E N 3.704 123.900 120.200 -0.006 0.000 2.603 1103 E HA 0.245 4.594 4.350 -0.001 0.000 0.211 1103 E C -0.674 175.923 176.600 -0.006 0.000 0.995 1103 E CA -0.108 56.289 56.400 -0.004 0.000 0.990 1103 E CB 0.681 30.381 29.700 -0.001 0.000 1.036 1103 E HN 0.669 nan 8.360 nan 0.000 0.475 1104 Q N 0.649 120.444 119.800 -0.010 0.000 2.340 1104 Q HA 0.154 4.494 4.340 -0.001 0.000 0.276 1104 Q C -1.503 174.488 176.000 -0.016 0.000 1.048 1104 Q CA -0.895 54.902 55.803 -0.011 0.000 0.832 1104 Q CB 2.061 30.794 28.738 -0.008 0.000 1.373 1104 Q HN 0.036 nan 8.270 nan 0.000 0.409 1105 D N 1.615 122.005 120.400 -0.017 0.000 2.667 1105 D HA -0.052 4.587 4.640 -0.001 0.000 0.226 1105 D C -0.597 175.690 176.300 -0.021 0.000 1.137 1105 D CA 0.972 54.958 54.000 -0.022 0.000 0.855 1105 D CB 0.509 41.299 40.800 -0.017 0.000 1.194 1105 D HN 0.273 nan 8.370 nan 0.000 0.492 1106 L N 1.478 122.684 121.223 -0.027 0.000 2.334 1106 L HA 0.306 4.646 4.340 -0.001 0.000 0.270 1106 L C 0.357 177.225 176.870 -0.003 0.000 1.018 1106 L CA -0.926 53.906 54.840 -0.014 0.000 0.811 1106 L CB 1.529 43.578 42.059 -0.016 0.000 1.271 1106 L HN 0.237 nan 8.230 nan 0.000 0.443 1107 E N 2.833 123.043 120.200 0.017 0.000 2.383 1107 E HA 0.212 4.562 4.350 -0.001 0.000 0.264 1107 E C -2.355 174.278 176.600 0.054 0.000 1.050 1107 E CA -1.261 55.155 56.400 0.026 0.000 0.896 1107 E CB 0.750 30.468 29.700 0.030 0.000 0.982 1107 E HN 0.198 nan 8.360 nan 0.000 0.424 1108 P HA 0.164 nan 4.420 nan 0.000 0.275 1108 P C -1.143 176.181 177.300 0.041 0.000 1.227 1108 P CA 0.061 63.127 63.100 -0.056 0.000 0.781 1108 P CB 0.283 31.956 31.700 -0.045 0.000 0.906 1109 F N -1.290 118.628 119.950 -0.054 0.000 2.603 1109 F HA 0.618 5.144 4.527 -0.001 0.000 0.317 1109 F C -0.105 175.691 175.800 -0.006 0.000 1.066 1109 F CA -1.460 56.518 58.000 -0.037 0.000 0.941 1109 F CB 1.103 40.068 39.000 -0.059 0.000 1.291 1109 F HN 0.162 nan 8.300 nan 0.000 0.472 1110 E N 0.867 121.217 120.200 0.249 0.000 2.371 1110 E HA 0.662 5.011 4.350 -0.001 0.000 0.257 1110 E C -0.775 175.986 176.600 0.269 0.000 1.134 1110 E CA -0.649 55.853 56.400 0.169 0.000 0.919 1110 E CB 1.378 31.160 29.700 0.136 0.000 1.025 1110 E HN 0.905 nan 8.360 nan 0.000 0.438 1111 A N 0.919 123.863 122.820 0.207 0.000 2.597 1111 A HA 0.408 4.727 4.320 -0.001 0.000 0.292 1111 A C -0.602 177.097 177.584 0.192 0.000 1.057 1111 A CA -0.733 51.451 52.037 0.244 0.000 0.674 1111 A CB 1.119 20.292 19.000 0.289 0.000 1.278 1111 A HN 0.577 nan 8.150 nan 0.000 0.416 1112 S N 0.515 116.303 115.700 0.147 0.000 2.600 1112 S HA 0.271 4.741 4.470 -0.001 0.000 0.265 1112 S C 1.094 175.727 174.600 0.054 0.000 1.325 1112 S CA 0.533 58.796 58.200 0.105 0.000 1.002 1112 S CB 1.007 64.242 63.200 0.059 0.000 0.921 1112 S HN 1.010 nan 8.310 nan 0.000 0.554 1113 K N 1.011 121.432 120.400 0.035 0.000 2.032 1113 K HA -0.187 4.132 4.320 -0.001 0.000 0.209 1113 K C 1.983 178.417 176.600 -0.277 0.000 1.048 1113 K CA 1.878 58.023 56.287 -0.236 0.000 0.927 1113 K CB -0.318 32.139 32.500 -0.071 0.000 0.712 1113 K HN 0.786 nan 8.250 nan 0.000 0.441 1114 E N 0.497 120.619 120.200 -0.129 0.000 2.033 1114 E HA -0.267 4.083 4.350 -0.001 0.000 0.199 1114 E C 2.293 178.814 176.600 -0.132 0.000 1.011 1114 E CA 1.775 58.102 56.400 -0.121 0.000 0.815 1114 E CB -0.136 29.518 29.700 -0.078 0.000 0.755 1114 E HN 0.445 nan 8.360 nan 0.000 0.451 1115 Q N 0.126 119.872 119.800 -0.089 0.000 2.077 1115 Q HA -0.234 4.105 4.340 -0.001 0.000 0.206 1115 Q C 2.246 178.230 176.000 -0.027 0.000 0.989 1115 Q CA 1.531 57.273 55.803 -0.101 0.000 0.853 1115 Q CB -0.311 28.447 28.738 0.034 0.000 0.907 1115 Q HN 0.262 nan 8.270 nan 0.000 0.418 1116 A N 1.614 124.457 122.820 0.037 0.000 1.869 1116 A HA -0.305 4.015 4.320 -0.001 0.000 0.218 1116 A C 1.904 179.478 177.584 -0.017 0.000 1.203 1116 A CA 2.007 54.076 52.037 0.054 0.000 0.638 1116 A CB -0.742 18.132 19.000 -0.210 0.000 0.831 1116 A HN 0.427 nan 8.150 nan 0.000 0.450 1117 E N -0.343 119.758 120.200 -0.165 0.000 2.070 1117 E HA -0.269 4.081 4.350 -0.001 0.000 0.197 1117 E C 1.990 178.539 176.600 -0.085 0.000 1.004 1117 E CA 1.572 57.891 56.400 -0.136 0.000 0.805 1117 E CB -0.387 29.216 29.700 -0.161 0.000 0.744 1117 E HN 0.785 nan 8.360 nan 0.000 0.451 1118 E N 0.347 120.467 120.200 -0.134 0.000 2.049 1118 E HA -0.199 4.150 4.350 -0.001 0.000 0.198 1118 E C 1.962 178.484 176.600 -0.130 0.000 1.007 1118 E CA 1.306 57.595 56.400 -0.185 0.000 0.809 1118 E CB -0.325 29.190 29.700 -0.309 0.000 0.749 1118 E HN 0.242 nan 8.360 nan 0.000 0.450 1119 F N 0.996 120.941 119.950 -0.008 0.000 2.095 1119 F HA -0.240 4.286 4.527 -0.001 0.000 0.298 1119 F C 2.535 178.380 175.800 0.076 0.000 1.104 1119 F CA 1.152 59.194 58.000 0.070 0.000 1.232 1119 F CB -0.065 38.988 39.000 0.088 0.000 0.987 1119 F HN -0.076 nan 8.300 nan 0.000 0.475 1120 K N 0.969 121.491 120.400 0.203 0.000 2.097 1120 K HA -0.163 4.156 4.320 -0.001 0.000 0.205 1120 K C 2.031 178.660 176.600 0.048 0.000 1.050 1120 K CA 1.183 57.526 56.287 0.095 0.000 0.938 1120 K CB -0.320 32.184 32.500 0.007 0.000 0.718 1120 K HN 0.030 nan 8.250 nan 0.000 0.442 1121 R N 0.016 120.519 120.500 0.006 0.000 2.127 1121 R HA -0.166 4.173 4.340 -0.001 0.000 0.238 1121 R C 1.787 178.059 176.300 -0.047 0.000 1.134 1121 R CA 1.898 57.979 56.100 -0.031 0.000 0.975 1121 R CB -0.101 30.165 30.300 -0.058 0.000 0.865 1121 R HN 0.286 nan 8.270 nan 0.000 0.447 1122 E N -1.022 119.134 120.200 -0.074 0.000 2.140 1122 E HA -0.089 4.261 4.350 -0.001 0.000 0.191 1122 E C 1.406 177.866 176.600 -0.234 0.000 0.973 1122 E CA 1.193 57.476 56.400 -0.194 0.000 0.829 1122 E CB 0.143 29.654 29.700 -0.316 0.000 0.781 1122 E HN 0.449 nan 8.360 nan 0.000 0.466 1123 H N -1.028 118.069 119.070 0.044 0.000 2.439 1123 H HA 0.262 4.817 4.556 -0.001 0.000 0.299 1123 H C 1.606 176.941 175.328 0.011 0.000 1.033 1123 H CA 0.906 56.973 56.048 0.033 0.000 1.348 1123 H CB 0.218 30.005 29.762 0.042 0.000 1.449 1123 H HN 0.304 nan 8.280 nan 0.000 0.544 1124 G N 2.347 111.219 108.800 0.120 0.000 3.099 1124 G HA2 -0.441 3.519 3.960 -0.001 0.000 0.331 1124 G HA3 -0.441 3.519 3.960 -0.001 0.000 0.331 1124 G C 1.088 176.011 174.900 0.038 0.000 1.216 1124 G CA 0.976 46.107 45.100 0.051 0.000 0.977 1124 G HN 0.400 nan 8.290 nan 0.000 0.600 1125 D N 0.912 121.334 120.400 0.037 0.000 2.182 1125 D HA -0.019 4.621 4.640 -0.001 0.000 0.201 1125 D C 2.242 178.553 176.300 0.019 0.000 0.986 1125 D CA 1.548 55.562 54.000 0.024 0.000 0.847 1125 D CB -0.112 40.703 40.800 0.026 0.000 0.942 1125 D HN 0.375 nan 8.370 nan 0.000 0.467 1126 K N -0.455 119.969 120.400 0.039 0.000 2.387 1126 K HA 0.210 4.529 4.320 -0.001 0.000 0.198 1126 K C -0.501 176.070 176.600 -0.049 0.000 1.022 1126 K CA -0.065 56.225 56.287 0.005 0.000 1.128 1126 K CB 1.041 33.556 32.500 0.026 0.000 0.853 1126 K HN -0.104 nan 8.250 nan 0.000 0.523 1127 V N 0.417 120.313 119.914 -0.029 0.000 2.925 1127 V HA 0.344 4.464 4.120 -0.001 0.000 0.311 1127 V C -0.993 175.031 176.094 -0.118 0.000 1.104 1127 V CA -1.055 61.193 62.300 -0.086 0.000 0.954 1127 V CB 2.544 34.339 31.823 -0.047 0.000 1.022 1127 V HN 0.036 nan 8.190 nan 0.000 0.427 1128 E N 4.129 124.216 120.200 -0.189 0.000 2.191 1128 E HA 0.646 4.995 4.350 -0.001 0.000 0.263 1128 E C -1.137 175.192 176.600 -0.453 0.000 0.881 1128 E CA -0.501 55.699 56.400 -0.333 0.000 0.757 1128 E CB 2.515 32.073 29.700 -0.236 0.000 1.147 1128 E HN 0.691 nan 8.360 nan 0.000 0.414 1129 I N -0.606 119.620 120.570 -0.573 0.000 2.569 1129 I HA 0.663 4.832 4.170 -0.001 0.000 0.296 1129 I C -1.098 174.670 176.117 -0.581 0.000 1.028 1129 I CA -0.934 60.130 61.300 -0.395 0.000 1.082 1129 I CB 1.071 39.006 38.000 -0.108 0.000 1.264 1129 I HN 0.266 nan 8.210 nan 0.000 0.429 1130 F N 1.859 121.885 119.950 0.127 0.000 2.588 1130 F HA 0.458 4.984 4.527 -0.001 0.000 0.310 1130 F C 0.332 175.937 175.800 -0.326 0.000 1.082 1130 F CA -0.777 57.216 58.000 -0.011 0.000 0.929 1130 F CB 1.705 40.669 39.000 -0.060 0.000 1.254 1130 F HN 0.528 nan 8.300 nan 0.000 0.455 1131 E N 1.701 121.667 120.200 -0.390 0.000 2.398 1131 E HA 0.238 4.587 4.350 -0.001 0.000 0.263 1131 E C -0.635 175.762 176.600 -0.339 0.000 1.046 1131 E CA -0.024 55.891 56.400 -0.808 0.000 0.908 1131 E CB 0.879 30.258 29.700 -0.534 0.000 0.963 1131 E HN 0.434 nan 8.360 nan 0.000 0.431 1132 I N 5.441 125.829 120.570 -0.302 0.000 2.301 1132 I HA 0.072 4.241 4.170 -0.001 0.000 0.292 1132 I C -1.622 174.421 176.117 -0.123 0.000 1.046 1132 I CA -1.936 59.279 61.300 -0.142 0.000 1.282 1132 I CB 1.066 39.018 38.000 -0.080 0.000 1.409 1132 I HN 0.310 nan 8.210 nan 0.000 0.484 1133 P HA -0.180 nan 4.420 nan 0.000 0.217 1133 P C 0.741 178.010 177.300 -0.050 0.000 1.148 1133 P CA 1.480 64.536 63.100 -0.073 0.000 0.828 1133 P CB 0.307 31.971 31.700 -0.060 0.000 0.783 1134 E N -1.026 119.148 120.200 -0.043 0.000 2.038 1134 E HA -0.059 4.290 4.350 -0.001 0.000 0.190 1134 E C 1.841 178.431 176.600 -0.017 0.000 0.967 1134 E CA 1.606 57.990 56.400 -0.026 0.000 0.816 1134 E CB -1.059 28.628 29.700 -0.022 0.000 0.784 1134 E HN 0.249 nan 8.360 nan 0.000 0.456 1135 T N -2.277 112.268 114.554 -0.015 0.000 3.129 1135 T HA 0.264 4.614 4.350 -0.001 0.000 0.251 1135 T C 1.612 176.318 174.700 0.010 0.000 1.117 1135 T CA 0.325 62.426 62.100 0.001 0.000 1.034 1135 T CB 0.358 69.231 68.868 0.009 0.000 0.968 1135 T HN 0.403 nan 8.240 nan 0.000 0.526 1136 G N 0.818 109.613 108.800 -0.007 0.000 2.184 1136 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.264 1136 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.264 1136 G C 0.237 175.172 174.900 0.058 0.000 0.975 1136 G CA 0.288 45.396 45.100 0.013 0.000 0.642 1136 G HN 0.591 nan 8.290 nan 0.000 0.536 1137 Q N -0.995 118.831 119.800 0.043 0.000 2.370 1137 Q HA 0.694 5.034 4.340 -0.001 0.000 0.186 1137 Q C 0.110 176.166 176.000 0.094 0.000 1.093 1137 Q CA 0.014 55.893 55.803 0.126 0.000 1.142 1137 Q CB 0.345 29.138 28.738 0.091 0.000 1.175 1137 Q HN 0.491 nan 8.270 nan 0.000 0.625 1138 Y N -1.409 118.909 120.300 0.029 0.000 2.705 1138 Y HA 0.421 4.971 4.550 -0.001 0.000 0.332 1138 Y C -0.187 175.699 175.900 -0.022 0.000 1.157 1138 Y CA -0.737 57.372 58.100 0.014 0.000 1.091 1138 Y CB 2.262 40.724 38.460 0.005 0.000 1.301 1138 Y HN 0.547 nan 8.280 nan 0.000 0.488 1139 T N -0.788 113.832 114.554 0.110 0.000 2.881 1139 T HA 0.727 5.076 4.350 -0.001 0.000 0.290 1139 T C -1.741 172.835 174.700 -0.208 0.000 1.000 1139 T CA -0.690 61.377 62.100 -0.055 0.000 0.978 1139 T CB 0.828 69.698 68.868 0.005 0.000 0.997 1139 T HN 0.360 nan 8.240 nan 0.000 0.443 1140 V N 3.690 123.275 119.914 -0.547 0.000 2.448 1140 V HA 0.682 4.801 4.120 -0.001 0.000 0.295 1140 V C 0.102 175.789 176.094 -0.679 0.000 1.025 1140 V CA -0.931 60.922 62.300 -0.744 0.000 0.859 1140 V CB 1.512 32.593 31.823 -1.237 0.000 0.988 1140 V HN 0.997 nan 8.190 nan 0.000 0.431 1141 R N 4.015 124.286 120.500 -0.382 0.000 2.473 1141 R HA 0.589 4.929 4.340 -0.001 0.000 0.303 1141 R C -1.704 174.479 176.300 -0.195 0.000 1.002 1141 R CA -0.785 55.178 56.100 -0.228 0.000 0.884 1141 R CB 1.215 31.445 30.300 -0.117 0.000 1.173 1141 R HN 0.630 nan 8.270 nan 0.000 0.464 1142 L N 4.762 125.880 121.223 -0.175 0.000 2.315 1142 L HA 0.379 4.719 4.340 -0.001 0.000 0.283 1142 L C 0.904 177.704 176.870 -0.117 0.000 1.089 1142 L CA 0.149 54.878 54.840 -0.184 0.000 0.833 1142 L CB 0.458 42.384 42.059 -0.221 0.000 1.170 1142 L HN 0.378 nan 8.230 nan 0.000 0.442 1143 R N 1.911 122.353 120.500 -0.098 0.000 2.649 1143 R HA 0.211 4.550 4.340 -0.001 0.000 0.270 1143 R C 0.263 176.534 176.300 -0.049 0.000 1.105 1143 R CA -0.952 55.114 56.100 -0.056 0.000 1.193 1143 R CB 0.599 30.878 30.300 -0.036 0.000 1.120 1143 R HN 0.515 nan 8.270 nan 0.000 0.561 1144 K N 0.327 120.710 120.400 -0.029 0.000 2.511 1144 K HA -0.098 4.221 4.320 -0.001 0.000 0.280 1144 K C 0.602 177.194 176.600 -0.013 0.000 1.008 1144 K CA 1.294 57.569 56.287 -0.019 0.000 1.050 1144 K CB 0.067 32.561 32.500 -0.010 0.000 0.889 1144 K HN 0.776 nan 8.250 nan 0.000 0.484 1145 G N 2.116 110.911 108.800 -0.008 0.000 2.339 1145 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.209 1145 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.209 1145 G C 0.172 175.079 174.900 0.012 0.000 1.015 1145 G CA -0.081 45.023 45.100 0.006 0.000 0.635 1145 G HN 1.005 nan 8.290 nan 0.000 0.499 1146 A N 0.693 123.502 122.820 -0.019 0.000 2.555 1146 A HA 0.521 4.840 4.320 -0.001 0.000 0.233 1146 A C 0.670 178.259 177.584 0.007 0.000 1.060 1146 A CA 1.727 53.737 52.037 -0.046 0.000 0.759 1146 A CB 0.054 18.940 19.000 -0.190 0.000 0.995 1146 A HN 1.063 nan 8.150 nan 0.000 0.506 1147 T N 2.876 117.482 114.554 0.087 0.000 2.779 1147 T HA 0.582 4.931 4.350 -0.001 0.000 0.280 1147 T C -0.182 174.589 174.700 0.117 0.000 0.987 1147 T CA -0.247 61.916 62.100 0.104 0.000 0.966 1147 T CB 0.625 69.569 68.868 0.126 0.000 0.933 1147 T HN 0.465 nan 8.240 nan 0.000 0.442 1148 L N 2.714 123.975 121.223 0.064 0.000 2.303 1148 L HA 0.643 4.982 4.340 -0.001 0.000 0.266 1148 L C -0.771 176.128 176.870 0.049 0.000 1.011 1148 L CA -1.309 53.563 54.840 0.053 0.000 0.818 1148 L CB 1.876 43.944 42.059 0.016 0.000 1.326 1148 L HN 0.400 nan 8.230 nan 0.000 0.435 1149 L N 2.912 124.161 121.223 0.042 0.000 2.319 1149 L HA 0.528 4.868 4.340 -0.001 0.000 0.281 1149 L C -0.783 176.096 176.870 0.016 0.000 1.005 1149 L CA -0.380 54.481 54.840 0.034 0.000 0.828 1149 L CB 1.851 43.937 42.059 0.045 0.000 1.227 1149 L HN 0.428 nan 8.230 nan 0.000 0.415 1150 I N 4.864 125.441 120.570 0.011 0.000 2.404 1150 I HA 0.377 4.546 4.170 -0.001 0.000 0.293 1150 I C -2.200 173.918 176.117 0.001 0.000 0.992 1150 I CA -2.131 59.170 61.300 0.002 0.000 1.149 1150 I CB 2.031 40.031 38.000 -0.000 0.000 1.315 1150 I HN 0.276 nan 8.210 nan 0.000 0.446 1151 P HA 0.205 nan 4.420 nan 0.000 0.271 1151 P C -1.283 176.014 177.300 -0.005 0.000 1.218 1151 P CA -0.316 62.781 63.100 -0.004 0.000 0.780 1151 P CB 0.559 32.256 31.700 -0.005 0.000 0.901 1152 K N 0.628 121.023 120.400 -0.007 0.000 2.469 1152 K HA 0.929 5.248 4.320 -0.001 0.000 0.268 1152 K C -1.558 175.038 176.600 -0.006 0.000 1.027 1152 K CA -1.293 54.991 56.287 -0.005 0.000 0.893 1152 K CB 1.787 34.285 32.500 -0.003 0.000 1.460 1152 K HN 0.297 nan 8.250 nan 0.000 0.449 1153 A N 1.069 123.889 122.820 0.000 0.000 2.454 1153 A HA 0.720 5.040 4.320 -0.001 0.000 0.302 1153 A C -1.327 176.267 177.584 0.017 0.000 1.079 1153 A CA -0.936 51.104 52.037 0.004 0.000 0.731 1153 A CB 1.271 20.273 19.000 0.004 0.000 1.299 1153 A HN 0.578 nan 8.150 nan 0.000 0.413 1154 L N 0.630 121.872 121.223 0.031 0.000 2.333 1154 L HA 0.469 4.808 4.340 -0.001 0.000 0.269 1154 L C -0.143 176.780 176.870 0.088 0.000 1.010 1154 L CA -0.592 54.287 54.840 0.064 0.000 0.818 1154 L CB 2.199 44.311 42.059 0.089 0.000 1.306 1154 L HN 0.832 nan 8.230 nan 0.000 0.430 1155 Q N 1.733 121.592 119.800 0.098 0.000 2.421 1155 Q HA 0.288 4.627 4.340 -0.001 0.000 0.242 1155 Q C -1.019 175.102 176.000 0.203 0.000 1.024 1155 Q CA -0.410 55.457 55.803 0.106 0.000 0.891 1155 Q CB 1.147 29.913 28.738 0.047 0.000 1.222 1155 Q HN 0.261 nan 8.270 nan 0.000 0.483 1156 F N 1.929 121.897 119.950 0.029 0.000 2.370 1156 F HA 0.167 4.693 4.527 -0.001 0.000 0.319 1156 F C 0.826 176.635 175.800 0.014 0.000 1.129 1156 F CA -0.601 57.428 58.000 0.047 0.000 1.109 1156 F CB 1.149 40.224 39.000 0.124 0.000 1.262 1156 F HN 0.515 nan 8.300 nan 0.000 0.534 1157 D N 0.915 120.956 120.400 -0.597 0.000 2.269 1157 D HA -0.017 4.622 4.640 -0.001 0.000 0.220 1157 D C 0.494 176.536 176.300 -0.430 0.000 0.962 1157 D CA 0.756 54.494 54.000 -0.438 0.000 0.884 1157 D CB -0.065 40.498 40.800 -0.396 0.000 1.023 1157 D HN 0.282 nan 8.370 nan 0.000 0.484 1158 R N 1.889 121.953 120.500 -0.727 0.000 2.606 1158 R HA 0.124 4.463 4.340 -0.001 0.000 0.276 1158 R C 0.584 176.830 176.300 -0.090 0.000 1.416 1158 R CA 0.052 55.956 56.100 -0.327 0.000 1.064 1158 R CB -0.439 29.702 30.300 -0.265 0.000 1.117 1158 R HN 0.199 nan 8.270 nan 0.000 0.543 1159 L N 0.979 122.184 121.223 -0.031 0.000 2.529 1159 L HA 0.086 4.426 4.340 -0.001 0.000 0.223 1159 L C 0.547 177.445 176.870 0.048 0.000 1.113 1159 L CA 0.333 55.185 54.840 0.021 0.000 0.861 1159 L CB 0.151 42.215 42.059 0.009 0.000 1.012 1159 L HN 0.104 nan 8.230 nan 0.000 0.461 1160 V N -0.946 118.991 119.914 0.037 0.000 2.483 1160 V HA 0.918 5.038 4.120 -0.001 0.000 0.295 1160 V C -0.049 175.991 176.094 -0.089 0.000 1.035 1160 V CA -0.857 61.442 62.300 -0.001 0.000 0.896 1160 V CB 1.162 32.986 31.823 0.002 0.000 0.986 1160 V HN 0.054 nan 8.190 nan 0.000 0.447 1161 A N 2.419 125.141 122.820 -0.162 0.000 2.589 1161 A HA 0.796 5.115 4.320 -0.001 0.000 0.296 1161 A C -0.116 177.334 177.584 -0.223 0.000 1.062 1161 A CA -0.122 51.736 52.037 -0.299 0.000 0.686 1161 A CB 1.460 19.975 19.000 -0.809 0.000 1.282 1161 A HN 1.456 nan 8.150 nan 0.000 0.404 1162 G N 0.896 109.606 108.800 -0.149 0.000 2.372 1162 G HA2 0.505 4.464 3.960 -0.001 0.000 0.286 1162 G HA3 0.505 4.464 3.960 -0.001 0.000 0.286 1162 G C -0.322 174.536 174.900 -0.070 0.000 1.153 1162 G CA -0.064 44.990 45.100 -0.077 0.000 0.985 1162 G HN 0.731 nan 8.290 nan 0.000 0.429 1163 Q N 1.868 121.619 119.800 -0.081 0.000 2.365 1163 Q HA 0.435 4.774 4.340 -0.001 0.000 0.269 1163 Q C -0.481 175.462 176.000 -0.096 0.000 1.061 1163 Q CA -1.138 54.655 55.803 -0.016 0.000 0.816 1163 Q CB 2.437 31.231 28.738 0.093 0.000 1.325 1163 Q HN 0.428 nan 8.270 nan 0.000 0.446 1164 I N 3.171 123.665 120.570 -0.127 0.000 2.919 1164 I HA -0.081 4.088 4.170 -0.001 0.000 0.303 1164 I C -2.066 173.989 176.117 -0.103 0.000 1.221 1164 I CA -0.784 60.393 61.300 -0.205 0.000 1.444 1164 I CB -0.265 37.527 38.000 -0.348 0.000 1.331 1164 I HN 0.435 nan 8.210 nan 0.000 0.572 1165 P HA -0.064 nan 4.420 nan 0.000 0.263 1165 P C -0.548 176.792 177.300 0.067 0.000 1.168 1165 P CA 0.238 63.334 63.100 -0.007 0.000 0.759 1165 P CB 0.088 31.811 31.700 0.038 0.000 0.782 1166 T N 3.407 118.008 114.554 0.079 0.000 2.825 1166 T HA 0.352 4.701 4.350 -0.001 0.000 0.270 1166 T C 1.296 176.012 174.700 0.027 0.000 0.919 1166 T CA 1.178 63.319 62.100 0.068 0.000 1.159 1166 T CB -0.851 68.065 68.868 0.080 0.000 0.889 1166 T HN 0.747 nan 8.240 nan 0.000 0.565 1167 G N 3.053 111.869 108.800 0.027 0.000 2.672 1167 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.197 1167 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.197 1167 G C 0.003 174.884 174.900 -0.031 0.000 0.995 1167 G CA -0.957 44.111 45.100 -0.054 0.000 0.754 1167 G HN 0.648 nan 8.290 nan 0.000 0.505 1168 W N 2.441 123.684 121.300 -0.095 0.000 2.295 1168 W HA 0.503 5.162 4.660 -0.001 0.000 0.335 1168 W C -0.430 176.063 176.519 -0.043 0.000 1.351 1168 W CA 1.221 58.530 57.345 -0.060 0.000 1.273 1168 W CB 0.734 30.215 29.460 0.035 0.000 1.214 1168 W HN 0.104 nan 8.180 nan 0.000 0.563 1169 D N 3.621 123.560 120.400 -0.768 0.000 2.990 1169 D HA 0.334 4.974 4.640 -0.001 0.000 0.227 1169 D C 0.672 176.376 176.300 -0.994 0.000 1.249 1169 D CA 0.030 53.623 54.000 -0.679 0.000 0.891 1169 D CB 1.848 42.417 40.800 -0.384 0.000 1.647 1169 D HN 0.414 nan 8.370 nan 0.000 0.530 1170 A N 3.668 126.003 122.820 -0.808 0.000 2.084 1170 A HA -0.205 4.114 4.320 -0.001 0.000 0.221 1170 A C 1.939 179.337 177.584 -0.310 0.000 1.161 1170 A CA 1.371 53.131 52.037 -0.462 0.000 0.653 1170 A CB -0.279 18.579 19.000 -0.237 0.000 0.802 1170 A HN 0.650 nan 8.150 nan 0.000 0.457 1171 R N -0.989 119.316 120.500 -0.325 0.000 2.120 1171 R HA -0.067 4.272 4.340 -0.001 0.000 0.234 1171 R C 2.402 178.549 176.300 -0.256 0.000 1.123 1171 R CA 1.342 57.294 56.100 -0.247 0.000 0.975 1171 R CB -0.198 29.968 30.300 -0.222 0.000 0.866 1171 R HN 0.533 nan 8.270 nan 0.000 0.446 1172 R N -0.794 119.455 120.500 -0.419 0.000 2.075 1172 R HA -0.117 4.223 4.340 -0.001 0.000 0.232 1172 R C 1.755 177.885 176.300 -0.283 0.000 1.126 1172 R CA 1.424 57.216 56.100 -0.513 0.000 0.963 1172 R CB -0.211 29.480 30.300 -1.015 0.000 0.858 1172 R HN 0.316 nan 8.270 nan 0.000 0.435 1173 Y N -0.642 119.581 120.300 -0.128 0.000 2.497 1173 Y HA -0.057 4.492 4.550 -0.001 0.000 0.292 1173 Y C 1.685 177.640 175.900 0.091 0.000 1.137 1173 Y CA 0.889 59.041 58.100 0.088 0.000 1.285 1173 Y CB 0.333 38.846 38.460 0.089 0.000 0.991 1173 Y HN 0.379 nan 8.280 nan 0.000 0.556 1174 G N -0.754 108.114 108.800 0.113 0.000 2.192 1174 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.193 1174 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.193 1174 G C -0.128 174.811 174.900 0.064 0.000 0.999 1174 G CA -0.151 45.017 45.100 0.114 0.000 0.659 1174 G HN 0.059 nan 8.290 nan 0.000 0.503 1175 V N 2.073 121.888 119.914 -0.165 0.000 2.694 1175 V HA 0.272 4.392 4.120 -0.001 0.000 0.306 1175 V C -1.162 174.823 176.094 -0.181 0.000 1.054 1175 V CA -0.414 61.636 62.300 -0.417 0.000 1.161 1175 V CB 0.670 32.141 31.823 -0.587 0.000 0.916 1175 V HN 0.200 nan 8.190 nan 0.000 0.490 1176 P HA 0.097 nan 4.420 nan 0.000 0.268 1176 P C 0.637 177.881 177.300 -0.093 0.000 1.205 1176 P CA -0.097 62.972 63.100 -0.051 0.000 0.771 1176 P CB 0.734 32.434 31.700 -0.001 0.000 0.858 1177 E N 3.305 123.464 120.200 -0.068 0.000 2.033 1177 E HA -0.270 4.080 4.350 -0.001 0.000 0.199 1177 E C 1.272 177.822 176.600 -0.084 0.000 1.011 1177 E CA 2.202 58.555 56.400 -0.078 0.000 0.815 1177 E CB -0.700 28.967 29.700 -0.055 0.000 0.755 1177 E HN 0.530 nan 8.360 nan 0.000 0.451 1178 D N 0.642 121.005 120.400 -0.061 0.000 2.106 1178 D HA -0.230 4.410 4.640 -0.001 0.000 0.191 1178 D C 2.061 178.296 176.300 -0.110 0.000 0.997 1178 D CA 1.328 55.292 54.000 -0.060 0.000 0.834 1178 D CB -0.558 40.228 40.800 -0.024 0.000 0.956 1178 D HN 0.284 nan 8.370 nan 0.000 0.448 1179 I N 1.015 121.497 120.570 -0.146 0.000 2.335 1179 I HA -0.203 3.966 4.170 -0.001 0.000 0.251 1179 I C 2.562 178.502 176.117 -0.295 0.000 1.129 1179 I CA 0.618 61.754 61.300 -0.274 0.000 1.402 1179 I CB -0.499 37.329 38.000 -0.286 0.000 1.069 1179 I HN 0.067 nan 8.210 nan 0.000 0.424 1180 I N 0.540 120.979 120.570 -0.218 0.000 2.226 1180 I HA -0.259 3.910 4.170 -0.001 0.000 0.245 1180 I C 2.448 178.464 176.117 -0.168 0.000 1.100 1180 I CA 1.431 62.612 61.300 -0.199 0.000 1.374 1180 I CB -1.025 36.879 38.000 -0.161 0.000 1.057 1180 I HN 0.367 nan 8.210 nan 0.000 0.413 1181 Q N -0.011 119.709 119.800 -0.134 0.000 2.378 1181 Q HA -0.180 4.159 4.340 -0.001 0.000 0.205 1181 Q C 2.022 177.966 176.000 -0.094 0.000 0.954 1181 Q CA 0.817 56.562 55.803 -0.097 0.000 0.901 1181 Q CB -0.026 28.671 28.738 -0.068 0.000 0.981 1181 Q HN 0.550 nan 8.270 nan 0.000 0.483 1182 Q N 0.245 119.964 119.800 -0.135 0.000 2.376 1182 Q HA 0.043 4.382 4.340 -0.001 0.000 0.206 1182 Q C 0.197 176.117 176.000 -0.133 0.000 0.921 1182 Q CA 0.345 56.084 55.803 -0.108 0.000 0.911 1182 Q CB 0.751 29.427 28.738 -0.103 0.000 1.032 1182 Q HN 0.023 nan 8.270 nan 0.000 0.510 1183 V N 0.506 120.275 119.914 -0.241 0.000 3.019 1183 V HA 0.308 4.428 4.120 -0.001 0.000 0.317 1183 V C -0.152 175.845 176.094 -0.161 0.000 1.094 1183 V CA -1.186 60.967 62.300 -0.245 0.000 1.000 1183 V CB 1.538 33.037 31.823 -0.540 0.000 1.060 1183 V HN 0.118 nan 8.190 nan 0.000 0.443 1184 D N 1.781 122.118 120.400 -0.106 0.000 2.424 1184 D HA 0.140 4.779 4.640 -0.001 0.000 0.244 1184 D C -1.649 174.539 176.300 -0.187 0.000 1.134 1184 D CA -1.323 52.620 54.000 -0.095 0.000 0.881 1184 D CB 2.037 42.818 40.800 -0.032 0.000 1.191 1184 D HN 0.193 nan 8.370 nan 0.000 0.445 1185 P HA -0.208 nan 4.420 nan 0.000 0.217 1185 P C 1.703 178.610 177.300 -0.655 0.000 1.158 1185 P CA 0.681 63.547 63.100 -0.390 0.000 0.887 1185 P CB 0.217 31.744 31.700 -0.290 0.000 0.792 1186 V N -0.620 119.053 119.914 -0.402 0.000 2.278 1186 V HA -0.332 3.788 4.120 -0.001 0.000 0.251 1186 V C 2.332 178.206 176.094 -0.367 0.000 1.062 1186 V CA 2.743 64.873 62.300 -0.282 0.000 1.038 1186 V CB -1.603 30.189 31.823 -0.051 0.000 0.646 1186 V HN 0.234 nan 8.190 nan 0.000 0.447 1187 T N -0.090 114.274 114.554 -0.318 0.000 2.759 1187 T HA -0.149 4.201 4.350 -0.001 0.000 0.269 1187 T C 1.803 176.375 174.700 -0.212 0.000 1.042 1187 T CA 1.506 63.449 62.100 -0.261 0.000 1.140 1187 T CB -0.238 68.504 68.868 -0.209 0.000 0.864 1187 T HN 0.315 nan 8.240 nan 0.000 0.455 1188 L N -0.299 120.768 121.223 -0.261 0.000 2.017 1188 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 1188 L C 2.359 179.279 176.870 0.085 0.000 1.073 1188 L CA 1.822 56.576 54.840 -0.143 0.000 0.745 1188 L CB -0.761 41.206 42.059 -0.154 0.000 0.894 1188 L HN 0.446 nan 8.230 nan 0.000 0.432 1189 Y N -1.094 119.260 120.300 0.089 0.000 2.207 1189 Y HA -0.235 4.314 4.550 -0.001 0.000 0.287 1189 Y C 2.609 178.542 175.900 0.055 0.000 1.156 1189 Y CA 0.499 58.622 58.100 0.037 0.000 1.182 1189 Y CB -0.436 37.993 38.460 -0.050 0.000 0.979 1189 Y HN -0.060 nan 8.280 nan 0.000 0.521 1190 V N 0.193 120.175 119.914 0.114 0.000 2.379 1190 V HA -0.251 3.868 4.120 -0.001 0.000 0.245 1190 V C 2.248 178.432 176.094 0.149 0.000 1.044 1190 V CA 1.316 63.669 62.300 0.089 0.000 1.036 1190 V CB -0.552 31.218 31.823 -0.088 0.000 0.664 1190 V HN 0.389 nan 8.190 nan 0.000 0.453 1191 L N -0.542 120.758 121.223 0.128 0.000 1.970 1191 L HA -0.197 4.142 4.340 -0.001 0.000 0.212 1191 L C 2.531 179.593 176.870 0.320 0.000 1.071 1191 L CA 1.553 56.534 54.840 0.235 0.000 0.751 1191 L CB -0.641 41.451 42.059 0.055 0.000 0.889 1191 L HN 0.181 nan 8.230 nan 0.000 0.432 1192 V N -0.741 119.294 119.914 0.202 0.000 2.287 1192 V HA -0.351 3.769 4.120 -0.001 0.000 0.248 1192 V C 2.729 178.913 176.094 0.149 0.000 1.053 1192 V CA 2.052 64.448 62.300 0.160 0.000 1.027 1192 V CB -0.405 31.487 31.823 0.116 0.000 0.646 1192 V HN 0.556 nan 8.190 nan 0.000 0.447 1193 S N -0.314 115.491 115.700 0.174 0.000 2.392 1193 S HA -0.237 4.232 4.470 -0.001 0.000 0.225 1193 S C 1.995 176.700 174.600 0.176 0.000 1.041 1193 S CA 2.375 60.674 58.200 0.165 0.000 1.100 1193 S CB -0.513 62.801 63.200 0.190 0.000 1.029 1193 S HN 0.285 nan 8.310 nan 0.000 0.424 1194 V N 2.195 122.228 119.914 0.197 0.000 2.546 1194 V HA -0.195 3.924 4.120 -0.001 0.000 0.254 1194 V C 2.774 178.979 176.094 0.184 0.000 1.076 1194 V CA 1.869 64.283 62.300 0.189 0.000 1.087 1194 V CB -1.372 30.568 31.823 0.195 0.000 0.674 1194 V HN 0.672 nan 8.190 nan 0.000 0.470 1195 A N -1.055 121.894 122.820 0.215 0.000 1.929 1195 A HA -0.168 4.152 4.320 -0.001 0.000 0.216 1195 A C 2.208 179.904 177.584 0.187 0.000 1.176 1195 A CA 1.485 53.631 52.037 0.181 0.000 0.628 1195 A CB -0.321 18.854 19.000 0.293 0.000 0.816 1195 A HN 0.576 nan 8.150 nan 0.000 0.444 1196 E N -0.603 119.711 120.200 0.190 0.000 2.299 1196 E HA 0.079 4.429 4.350 -0.001 0.000 0.193 1196 E C 2.053 178.778 176.600 0.208 0.000 0.998 1196 E CA 0.530 57.059 56.400 0.215 0.000 0.851 1196 E CB -0.072 29.747 29.700 0.198 0.000 0.795 1196 E HN 0.593 nan 8.360 nan 0.000 0.492 1197 A N 0.681 123.603 122.820 0.170 0.000 2.066 1197 A HA -0.053 4.267 4.320 -0.001 0.000 0.218 1197 A C 2.002 179.679 177.584 0.155 0.000 1.157 1197 A CA 0.546 52.668 52.037 0.141 0.000 0.670 1197 A CB -0.206 18.868 19.000 0.124 0.000 0.804 1197 A HN 0.157 nan 8.150 nan 0.000 0.453 1198 L N -1.073 120.252 121.223 0.170 0.000 2.179 1198 L HA -0.040 4.299 4.340 -0.001 0.000 0.208 1198 L C 2.500 179.466 176.870 0.160 0.000 1.096 1198 L CA 0.878 55.818 54.840 0.166 0.000 0.779 1198 L CB -0.371 41.781 42.059 0.155 0.000 0.922 1198 L HN 0.470 nan 8.230 nan 0.000 0.443 1199 L N -0.047 121.298 121.223 0.203 0.000 2.072 1199 L HA -0.169 4.171 4.340 -0.001 0.000 0.205 1199 L C 2.606 179.630 176.870 0.257 0.000 1.079 1199 L CA 1.381 56.353 54.840 0.220 0.000 0.752 1199 L CB -0.070 42.146 42.059 0.261 0.000 0.906 1199 L HN 0.313 nan 8.230 nan 0.000 0.436 1200 S N -2.558 113.342 115.700 0.334 0.000 2.653 1200 S HA -0.093 4.376 4.470 -0.001 0.000 0.233 1200 S C 1.346 176.113 174.600 0.279 0.000 0.970 1200 S CA 0.816 59.274 58.200 0.431 0.000 0.947 1200 S CB -0.058 63.307 63.200 0.276 0.000 0.771 1200 S HN 0.376 nan 8.310 nan 0.000 0.538 1201 S N -0.711 115.092 115.700 0.172 0.000 3.009 1201 S HA 0.497 4.967 4.470 -0.001 0.000 0.254 1201 S C 1.110 175.714 174.600 0.007 0.000 1.004 1201 S CA 0.323 58.555 58.200 0.053 0.000 1.119 1201 S CB -0.356 62.906 63.200 0.104 0.000 1.075 1201 S HN 1.182 nan 8.310 nan 0.000 0.618 1202 G N 1.765 110.630 108.800 0.108 0.000 2.184 1202 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.264 1202 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.264 1202 G C 0.035 174.940 174.900 0.009 0.000 0.975 1202 G CA 0.372 45.552 45.100 0.133 0.000 0.642 1202 G HN 0.529 nan 8.290 nan 0.000 0.536 1203 I N 1.996 122.543 120.570 -0.038 0.000 2.337 1203 I HA 0.250 4.420 4.170 -0.001 0.000 0.291 1203 I C 1.462 177.534 176.117 -0.074 0.000 1.046 1203 I CA 0.444 61.659 61.300 -0.141 0.000 1.324 1203 I CB 0.619 38.477 38.000 -0.236 0.000 1.409 1203 I HN 0.022 nan 8.210 nan 0.000 0.494 1204 T N 3.416 117.878 114.554 -0.153 0.000 2.898 1204 T HA -0.032 4.318 4.350 -0.001 0.000 0.241 1204 T C 0.549 175.100 174.700 -0.248 0.000 1.024 1204 T CA 0.733 62.672 62.100 -0.269 0.000 1.174 1204 T CB 0.089 68.641 68.868 -0.527 0.000 0.873 1204 T HN 0.543 nan 8.240 nan 0.000 0.422 1205 D N 1.555 121.814 120.400 -0.235 0.000 2.317 1205 D HA 0.236 4.876 4.640 -0.001 0.000 0.234 1205 D C -2.020 174.193 176.300 -0.144 0.000 1.112 1205 D CA -2.521 51.365 54.000 -0.190 0.000 0.840 1205 D CB 1.838 42.552 40.800 -0.142 0.000 1.078 1205 D HN -0.005 nan 8.370 nan 0.000 0.486 1206 P HA -0.096 nan 4.420 nan 0.000 0.226 1206 P C 0.852 178.231 177.300 0.131 0.000 1.153 1206 P CA 0.601 63.721 63.100 0.033 0.000 0.777 1206 P CB 0.054 31.815 31.700 0.102 0.000 0.794 1207 Y N 0.516 120.842 120.300 0.045 0.000 2.403 1207 Y HA -0.144 4.406 4.550 -0.001 0.000 0.291 1207 Y C 2.330 178.203 175.900 -0.044 0.000 1.143 1207 Y CA 0.191 58.365 58.100 0.123 0.000 1.257 1207 Y CB -1.236 37.306 38.460 0.136 0.000 0.984 1207 Y HN 0.176 nan 8.280 nan 0.000 0.550 1208 E N -0.232 119.975 120.200 0.012 0.000 2.209 1208 E HA -0.227 4.122 4.350 -0.001 0.000 0.196 1208 E C 1.700 178.248 176.600 -0.086 0.000 0.993 1208 E CA 0.988 57.337 56.400 -0.085 0.000 0.819 1208 E CB -0.448 29.160 29.700 -0.154 0.000 0.745 1208 E HN 0.460 nan 8.360 nan 0.000 0.477 1209 F N -0.528 119.338 119.950 -0.140 0.000 2.250 1209 F HA -0.199 4.327 4.527 -0.001 0.000 0.301 1209 F C 1.087 176.771 175.800 -0.193 0.000 1.077 1209 F CA 0.691 58.573 58.000 -0.196 0.000 1.348 1209 F CB -0.011 38.712 39.000 -0.461 0.000 1.040 1209 F HN 0.142 nan 8.300 nan 0.000 0.509 1210 Y N -0.066 120.372 120.300 0.231 0.000 2.496 1210 Y HA 0.101 4.650 4.550 -0.001 0.000 0.313 1210 Y C 1.478 177.336 175.900 -0.070 0.000 1.184 1210 Y CA -0.524 57.621 58.100 0.076 0.000 1.275 1210 Y CB -0.976 37.462 38.460 -0.036 0.000 1.103 1210 Y HN -0.002 nan 8.280 nan 0.000 0.513 1211 K N -0.815 119.560 120.400 -0.041 0.000 2.063 1211 K HA -0.018 4.301 4.320 -0.001 0.000 0.204 1211 K C 0.903 177.368 176.600 -0.225 0.000 1.039 1211 K CA 1.183 57.305 56.287 -0.275 0.000 0.957 1211 K CB -0.162 31.951 32.500 -0.645 0.000 0.764 1211 K HN 0.276 nan 8.250 nan 0.000 0.447 1212 Y N 0.043 120.400 120.300 0.094 0.000 2.519 1212 Y HA 0.117 4.666 4.550 -0.001 0.000 0.287 1212 Y C 0.587 176.570 175.900 0.138 0.000 1.128 1212 Y CA -0.164 57.998 58.100 0.103 0.000 1.282 1212 Y CB 0.586 39.102 38.460 0.095 0.000 1.027 1212 Y HN -0.232 nan 8.280 nan 0.000 0.551 1213 V N -0.999 119.100 119.914 0.309 0.000 3.012 1213 V HA 0.187 4.307 4.120 -0.001 0.000 0.307 1213 V C -1.044 175.275 176.094 0.375 0.000 1.166 1213 V CA -1.451 61.028 62.300 0.298 0.000 0.974 1213 V CB 2.084 34.064 31.823 0.260 0.000 1.040 1213 V HN 0.098 nan 8.190 nan 0.000 0.428 1214 H N 2.253 121.454 119.070 0.219 0.000 2.690 1214 H HA 0.319 4.874 4.556 -0.001 0.000 0.365 1214 H C 0.985 176.450 175.328 0.228 0.000 1.142 1214 H CA 0.296 56.461 56.048 0.194 0.000 1.417 1214 H CB 0.848 30.656 29.762 0.077 0.000 1.446 1214 H HN 0.552 nan 8.280 nan 0.000 0.599 1215 L N 1.898 122.746 121.223 -0.624 0.000 2.263 1215 L HA -0.193 4.147 4.340 -0.001 0.000 0.216 1215 L C 1.644 178.316 176.870 -0.330 0.000 1.111 1215 L CA 1.763 56.287 54.840 -0.527 0.000 0.773 1215 L CB -0.491 41.037 42.059 -0.885 0.000 0.906 1215 L HN 0.642 nan 8.230 nan 0.000 0.439 1216 S N -2.429 113.065 115.700 -0.344 0.000 2.622 1216 S HA 0.117 4.586 4.470 -0.001 0.000 0.236 1216 S C 0.926 175.542 174.600 0.026 0.000 0.956 1216 S CA -0.339 57.807 58.200 -0.090 0.000 0.971 1216 S CB 0.231 63.446 63.200 0.025 0.000 0.782 1216 S HN 0.433 nan 8.310 nan 0.000 0.468 1217 E N 0.320 120.552 120.200 0.053 0.000 2.601 1217 E HA 0.190 4.539 4.350 -0.001 0.000 0.219 1217 E C -0.847 175.746 176.600 -0.011 0.000 0.964 1217 E CA -0.032 56.394 56.400 0.044 0.000 1.050 1217 E CB 1.322 31.071 29.700 0.081 0.000 1.068 1217 E HN 0.331 nan 8.360 nan 0.000 0.496 1218 V N 1.955 121.862 119.914 -0.010 0.000 2.299 1218 V HA 0.339 4.458 4.120 -0.001 0.000 0.255 1218 V C 0.648 176.708 176.094 -0.056 0.000 1.100 1218 V CA -0.491 61.739 62.300 -0.116 0.000 0.938 1218 V CB 0.369 32.115 31.823 -0.128 0.000 1.139 1218 V HN 0.124 nan 8.190 nan 0.000 0.490 1219 G N 2.973 111.738 108.800 -0.059 0.000 2.504 1219 G HA2 0.395 4.354 3.960 -0.001 0.000 0.288 1219 G HA3 0.395 4.354 3.960 -0.001 0.000 0.288 1219 G C -0.471 174.427 174.900 -0.003 0.000 1.182 1219 G CA -0.610 44.479 45.100 -0.018 0.000 0.894 1219 G HN 0.656 nan 8.290 nan 0.000 0.521 1220 N N -0.347 118.368 118.700 0.025 0.000 2.549 1220 N HA 0.271 5.010 4.740 -0.001 0.000 0.281 1220 N C -0.899 174.649 175.510 0.064 0.000 1.084 1220 N CA -0.749 52.332 53.050 0.052 0.000 0.862 1220 N CB 1.182 39.711 38.487 0.070 0.000 1.333 1220 N HN 0.320 nan 8.380 nan 0.000 0.523 1221 C N 5.008 124.351 119.300 0.071 0.000 2.624 1221 C HA 0.407 4.867 4.460 -0.001 0.000 0.263 1221 C C 0.406 175.450 174.990 0.089 0.000 1.587 1221 C CA -0.583 58.477 59.018 0.071 0.000 1.718 1221 C CB -1.866 25.907 27.740 0.055 0.000 3.050 1221 C HN 0.629 nan 8.230 nan 0.000 0.517 1222 I N 1.639 122.289 120.570 0.132 0.000 2.441 1222 I HA 0.489 4.658 4.170 -0.001 0.000 0.287 1222 I C 1.015 177.224 176.117 0.153 0.000 1.049 1222 I CA 0.661 62.068 61.300 0.178 0.000 1.381 1222 I CB 0.769 38.941 38.000 0.287 0.000 1.409 1222 I HN 0.468 nan 8.210 nan 0.000 0.523 1223 G N 3.616 112.421 108.800 0.009 0.000 3.175 1223 G HA2 0.814 4.773 3.960 -0.001 0.000 0.255 1223 G HA3 0.814 4.773 3.960 -0.001 0.000 0.255 1223 G C -0.979 173.574 174.900 -0.577 0.000 1.352 1223 G CA -0.268 44.744 45.100 -0.146 0.000 1.037 1223 G HN 0.697 nan 8.290 nan 0.000 0.556 1224 S N -3.229 112.179 115.700 -0.488 0.000 2.656 1224 S HA 0.575 5.044 4.470 -0.001 0.000 0.265 1224 S C 0.779 175.230 174.600 -0.248 0.000 1.132 1224 S CA 0.539 58.380 58.200 -0.599 0.000 0.819 1224 S CB 0.928 63.448 63.200 -1.133 0.000 1.119 1224 S HN 1.547 nan 8.310 nan 0.000 0.476 1225 G N -0.228 108.473 108.800 -0.166 0.000 2.437 1225 G HA2 0.310 4.270 3.960 -0.001 0.000 0.212 1225 G HA3 0.310 4.270 3.960 -0.001 0.000 0.212 1225 G C 1.003 175.870 174.900 -0.055 0.000 1.174 1225 G CA 1.199 46.256 45.100 -0.072 0.000 0.811 1225 G HN 1.509 nan 8.290 nan 0.000 0.537 1226 V N -2.890 117.002 119.914 -0.037 0.000 3.177 1226 V HA 0.591 4.710 4.120 -0.001 0.000 0.219 1226 V C 1.329 177.447 176.094 0.040 0.000 1.344 1226 V CA 0.310 62.596 62.300 -0.024 0.000 1.324 1226 V CB -0.914 30.876 31.823 -0.055 0.000 1.165 1226 V HN 1.165 nan 8.190 nan 0.000 0.510 1227 G N 0.689 109.557 108.800 0.113 0.000 3.106 1227 G HA2 0.343 4.302 3.960 -0.001 0.000 0.352 1227 G HA3 0.343 4.302 3.960 -0.001 0.000 0.352 1227 G C 0.991 176.031 174.900 0.232 0.000 0.563 1227 G CA 0.386 45.665 45.100 0.299 0.000 0.945 1227 G HN 2.306 nan 8.290 nan 0.000 0.470 1228 G N 1.151 110.061 108.800 0.182 0.000 2.138 1228 G HA2 -0.033 3.926 3.960 -0.001 0.000 0.193 1228 G HA3 -0.033 3.926 3.960 -0.001 0.000 0.193 1228 G C 1.209 176.138 174.900 0.048 0.000 0.998 1228 G CA 0.968 46.129 45.100 0.102 0.000 0.668 1228 G HN 1.886 nan 8.290 nan 0.000 0.516 1229 T N 0.099 114.684 114.554 0.051 0.000 2.897 1229 T HA -0.083 4.266 4.350 -0.001 0.000 0.271 1229 T C 2.355 177.050 174.700 -0.009 0.000 1.084 1229 T CA 1.993 64.094 62.100 0.001 0.000 1.123 1229 T CB -0.053 68.824 68.868 0.014 0.000 0.865 1229 T HN 0.467 nan 8.240 nan 0.000 0.496 1230 S N 0.425 116.136 115.700 0.017 0.000 2.388 1230 S HA 0.189 4.658 4.470 -0.001 0.000 0.223 1230 S C 2.415 177.024 174.600 0.015 0.000 1.034 1230 S CA 0.726 58.935 58.200 0.015 0.000 0.963 1230 S CB -0.380 62.834 63.200 0.023 0.000 0.827 1230 S HN 0.540 nan 8.310 nan 0.000 0.481 1231 A N 1.484 124.318 122.820 0.023 0.000 1.929 1231 A HA 0.139 4.458 4.320 -0.001 0.000 0.216 1231 A C 2.109 179.718 177.584 0.042 0.000 1.176 1231 A CA 0.843 52.901 52.037 0.036 0.000 0.628 1231 A CB -0.764 18.266 19.000 0.050 0.000 0.816 1231 A HN 0.540 nan 8.150 nan 0.000 0.444 1232 L N -0.426 120.806 121.223 0.016 0.000 2.129 1232 L HA -0.223 4.116 4.340 -0.001 0.000 0.212 1232 L C 2.810 179.701 176.870 0.035 0.000 1.087 1232 L CA 2.046 56.883 54.840 -0.005 0.000 0.757 1232 L CB -0.347 41.651 42.059 -0.102 0.000 0.896 1232 L HN 0.583 nan 8.230 nan 0.000 0.434 1233 R N -0.220 120.287 120.500 0.011 0.000 2.062 1233 R HA -0.093 4.247 4.340 -0.001 0.000 0.226 1233 R C 2.078 178.419 176.300 0.069 0.000 1.125 1233 R CA 1.308 57.421 56.100 0.021 0.000 0.966 1233 R CB -0.576 29.713 30.300 -0.020 0.000 0.861 1233 R HN 0.339 nan 8.270 nan 0.000 0.433 1234 G N 1.159 109.991 108.800 0.054 0.000 2.479 1234 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.220 1234 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.220 1234 G C 1.379 176.315 174.900 0.061 0.000 1.115 1234 G CA 0.794 45.924 45.100 0.050 0.000 0.757 1234 G HN 0.372 nan 8.290 nan 0.000 0.560 1235 M N -1.272 118.388 119.600 0.100 0.000 2.191 1235 M HA 0.156 4.635 4.480 -0.001 0.000 0.262 1235 M C 1.910 178.211 176.300 0.000 0.000 1.083 1235 M CA 1.090 56.428 55.300 0.063 0.000 1.154 1235 M CB 0.251 32.938 32.600 0.145 0.000 1.344 1235 M HN 0.218 nan 8.290 nan 0.000 0.431 1236 Y N -0.225 120.052 120.300 -0.038 0.000 2.511 1236 Y HA 0.116 4.665 4.550 -0.001 0.000 0.279 1236 Y C 2.176 178.047 175.900 -0.047 0.000 1.157 1236 Y CA 0.663 58.729 58.100 -0.057 0.000 1.300 1236 Y CB 0.076 38.484 38.460 -0.086 0.000 1.052 1236 Y HN 0.289 nan 8.280 nan 0.000 0.529 1237 K N -1.000 119.472 120.400 0.121 0.000 2.757 1237 K HA 0.036 4.355 4.320 -0.001 0.000 0.201 1237 K C 0.869 177.535 176.600 0.110 0.000 1.495 1237 K CA 0.493 56.842 56.287 0.104 0.000 1.090 1237 K CB -0.018 32.513 32.500 0.052 0.000 1.796 1237 K HN -0.185 nan 8.250 nan 0.000 0.523 1238 D N 1.276 121.717 120.400 0.069 0.000 2.263 1238 D HA -0.128 4.512 4.640 -0.001 0.000 0.208 1238 D C 1.792 178.116 176.300 0.040 0.000 0.971 1238 D CA 0.962 54.990 54.000 0.047 0.000 0.867 1238 D CB 0.165 40.984 40.800 0.032 0.000 0.929 1238 D HN 0.270 nan 8.370 nan 0.000 0.492 1239 R N -0.971 119.560 120.500 0.051 0.000 2.128 1239 R HA -0.064 4.276 4.340 -0.001 0.000 0.211 1239 R C 2.063 178.387 176.300 0.041 0.000 1.067 1239 R CA 0.282 56.399 56.100 0.028 0.000 1.010 1239 R CB -0.404 29.903 30.300 0.011 0.000 0.922 1239 R HN 0.127 nan 8.270 nan 0.000 0.457 1240 Y N 0.095 120.367 120.300 -0.046 0.000 2.574 1240 Y HA -0.013 4.536 4.550 -0.001 0.000 0.294 1240 Y C 1.012 176.891 175.900 -0.035 0.000 1.142 1240 Y CA 0.868 58.940 58.100 -0.047 0.000 1.314 1240 Y CB 0.284 38.717 38.460 -0.045 0.000 0.991 1240 Y HN 0.151 nan 8.280 nan 0.000 0.555 1241 L N 0.315 121.515 121.223 -0.038 0.000 2.640 1241 L HA 0.162 4.501 4.340 -0.001 0.000 0.230 1241 L C 0.410 177.224 176.870 -0.094 0.000 1.123 1241 L CA 0.703 55.490 54.840 -0.088 0.000 0.900 1241 L CB -0.045 42.019 42.059 0.007 0.000 1.146 1241 L HN 0.130 nan 8.230 nan 0.000 0.484 1242 D N 0.146 120.494 120.400 -0.087 0.000 2.870 1242 D HA -0.228 4.411 4.640 -0.001 0.000 0.228 1242 D C 0.276 176.550 176.300 -0.043 0.000 1.147 1242 D CA 0.738 54.694 54.000 -0.074 0.000 0.757 1242 D CB -0.494 40.245 40.800 -0.102 0.000 1.091 1242 D HN 0.295 nan 8.370 nan 0.000 0.429 1243 K N 0.052 120.437 120.400 -0.024 0.000 2.126 1243 K HA 0.421 4.741 4.320 -0.001 0.000 0.257 1243 K C -2.304 174.290 176.600 -0.009 0.000 1.007 1243 K CA -1.454 54.825 56.287 -0.012 0.000 0.928 1243 K CB 0.434 32.933 32.500 -0.001 0.000 1.013 1243 K HN -0.011 nan 8.250 nan 0.000 0.473 1244 P HA 0.078 nan 4.420 nan 0.000 0.273 1244 P C -1.107 176.194 177.300 0.001 0.000 1.319 1244 P CA -0.098 62.999 63.100 -0.004 0.000 0.885 1244 P CB 0.414 32.112 31.700 -0.003 0.000 1.015 1245 V N 3.924 123.840 119.914 0.003 0.000 2.815 1245 V HA 0.262 4.381 4.120 -0.001 0.000 0.314 1245 V C 0.575 176.676 176.094 0.012 0.000 1.064 1245 V CA -0.926 61.379 62.300 0.009 0.000 0.952 1245 V CB 1.824 33.655 31.823 0.013 0.000 1.020 1245 V HN 0.407 nan 8.190 nan 0.000 0.439 1246 Q N 1.506 121.317 119.800 0.018 0.000 2.540 1246 Q HA 0.133 4.472 4.340 -0.001 0.000 0.256 1246 Q C 0.561 176.578 176.000 0.028 0.000 1.084 1246 Q CA 0.029 55.847 55.803 0.025 0.000 0.956 1246 Q CB 0.868 29.628 28.738 0.035 0.000 1.303 1246 Q HN 0.512 nan 8.270 nan 0.000 0.509 1247 K N 0.463 120.882 120.400 0.031 0.000 2.305 1247 K HA -0.090 4.229 4.320 -0.001 0.000 0.199 1247 K C 0.141 176.768 176.600 0.045 0.000 1.047 1247 K CA 1.069 57.374 56.287 0.030 0.000 0.976 1247 K CB 0.310 32.826 32.500 0.026 0.000 0.765 1247 K HN 0.601 nan 8.250 nan 0.000 0.474 1248 D N -0.001 120.436 120.400 0.062 0.000 2.501 1248 D HA -0.020 4.619 4.640 -0.001 0.000 0.226 1248 D C 1.034 177.398 176.300 0.106 0.000 1.198 1248 D CA -0.212 53.840 54.000 0.087 0.000 0.830 1248 D CB -0.314 40.547 40.800 0.101 0.000 1.014 1248 D HN 0.130 nan 8.370 nan 0.000 0.496 1249 I N -2.270 118.349 120.570 0.082 0.000 2.850 1249 I HA -0.094 4.076 4.170 -0.001 0.000 0.266 1249 I C 1.760 177.934 176.117 0.095 0.000 1.257 1249 I CA 0.498 61.848 61.300 0.084 0.000 1.465 1249 I CB -0.578 37.456 38.000 0.057 0.000 1.091 1249 I HN 0.037 nan 8.210 nan 0.000 0.467 1250 L N 0.813 122.098 121.223 0.104 0.000 2.056 1250 L HA -0.172 4.167 4.340 -0.001 0.000 0.207 1250 L C 2.552 179.576 176.870 0.256 0.000 1.078 1250 L CA 1.784 56.697 54.840 0.122 0.000 0.749 1250 L CB -1.013 41.130 42.059 0.139 0.000 0.901 1250 L HN 0.364 nan 8.230 nan 0.000 0.433 1251 Q N -0.431 119.539 119.800 0.284 0.000 2.156 1251 Q HA -0.230 4.109 4.340 -0.001 0.000 0.211 1251 Q C 1.300 177.536 176.000 0.394 0.000 0.995 1251 Q CA 1.997 58.003 55.803 0.338 0.000 0.877 1251 Q CB -0.160 28.714 28.738 0.227 0.000 0.920 1251 Q HN 0.571 nan 8.270 nan 0.000 0.416 1252 E N -0.474 119.892 120.200 0.276 0.000 2.437 1252 E HA 0.003 4.353 4.350 -0.001 0.000 0.189 1252 E C 1.256 177.957 176.600 0.168 0.000 1.054 1252 E CA 0.395 56.944 56.400 0.248 0.000 0.874 1252 E CB 0.545 30.359 29.700 0.189 0.000 1.011 1252 E HN 0.294 nan 8.360 nan 0.000 0.474 1253 S N -0.597 115.161 115.700 0.096 0.000 2.524 1253 S HA 0.142 4.612 4.470 -0.001 0.000 0.215 1253 S C 0.481 175.027 174.600 -0.090 0.000 0.986 1253 S CA -0.508 57.666 58.200 -0.043 0.000 0.911 1253 S CB -0.282 62.830 63.200 -0.147 0.000 0.805 1253 S HN -0.035 nan 8.310 nan 0.000 0.501 1254 F N 1.435 121.450 119.950 0.109 0.000 2.399 1254 F HA 0.377 4.903 4.527 -0.001 0.000 0.342 1254 F C 1.558 177.445 175.800 0.145 0.000 1.106 1254 F CA -0.742 57.320 58.000 0.103 0.000 1.196 1254 F CB 1.041 40.091 39.000 0.083 0.000 1.163 1254 F HN -0.178 nan 8.300 nan 0.000 0.547 1255 V N 2.037 122.140 119.914 0.315 0.000 2.469 1255 V HA -0.314 3.806 4.120 -0.001 0.000 0.251 1255 V C 1.988 178.286 176.094 0.340 0.000 1.064 1255 V CA 2.120 64.598 62.300 0.297 0.000 1.066 1255 V CB -0.633 31.289 31.823 0.165 0.000 0.667 1255 V HN 0.876 nan 8.190 nan 0.000 0.461 1256 N N -0.739 118.125 118.700 0.273 0.000 2.322 1256 N HA -0.052 4.687 4.740 -0.001 0.000 0.194 1256 N C 1.184 176.793 175.510 0.164 0.000 1.126 1256 N CA 0.892 54.060 53.050 0.196 0.000 0.845 1256 N CB 0.231 38.783 38.487 0.108 0.000 0.976 1256 N HN 0.419 nan 8.380 nan 0.000 0.475 1257 T N 0.851 115.540 114.554 0.224 0.000 2.978 1257 T HA 0.065 4.414 4.350 -0.001 0.000 0.262 1257 T C 1.780 176.638 174.700 0.263 0.000 1.063 1257 T CA 0.615 62.819 62.100 0.175 0.000 1.140 1257 T CB 0.037 69.069 68.868 0.272 0.000 0.886 1257 T HN 0.046 nan 8.240 nan 0.000 0.470 1258 M N 2.036 121.803 119.600 0.277 0.000 2.084 1258 M HA 0.046 4.525 4.480 -0.001 0.000 0.259 1258 M C 2.752 179.191 176.300 0.232 0.000 1.072 1258 M CA 1.760 57.181 55.300 0.202 0.000 1.107 1258 M CB -1.269 31.279 32.600 -0.087 0.000 1.299 1258 M HN 0.275 nan 8.290 nan 0.000 0.413 1259 A N 0.010 122.970 122.820 0.233 0.000 1.915 1259 A HA -0.216 4.103 4.320 -0.001 0.000 0.220 1259 A C 2.429 180.099 177.584 0.144 0.000 1.198 1259 A CA 2.888 55.041 52.037 0.194 0.000 0.647 1259 A CB -1.514 17.592 19.000 0.176 0.000 0.825 1259 A HN 0.561 nan 8.150 nan 0.000 0.456 1260 A N -1.699 121.170 122.820 0.081 0.000 1.865 1260 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 1260 A C 2.025 179.615 177.584 0.009 0.000 1.191 1260 A CA 1.520 53.540 52.037 -0.028 0.000 0.623 1260 A CB -1.089 17.803 19.000 -0.180 0.000 0.826 1260 A HN 0.777 nan 8.150 nan 0.000 0.444 1261 W N -0.278 121.070 121.300 0.080 0.000 2.350 1261 W HA -0.144 4.515 4.660 -0.001 0.000 0.289 1261 W C 2.210 178.798 176.519 0.116 0.000 1.215 1261 W CA 1.109 58.505 57.345 0.086 0.000 1.236 1261 W CB -0.285 29.213 29.460 0.062 0.000 1.130 1261 W HN 0.162 nan 8.180 nan 0.000 0.541 1262 V N 0.025 120.142 119.914 0.340 0.000 2.407 1262 V HA -0.337 3.782 4.120 -0.001 0.000 0.248 1262 V C 1.669 177.895 176.094 0.220 0.000 1.055 1262 V CA 2.299 64.760 62.300 0.269 0.000 1.049 1262 V CB -0.946 31.006 31.823 0.214 0.000 0.662 1262 V HN 0.264 nan 8.190 nan 0.000 0.455 1263 N N -0.822 117.986 118.700 0.180 0.000 2.416 1263 N HA 0.021 4.760 4.740 -0.001 0.000 0.177 1263 N C 1.588 177.192 175.510 0.156 0.000 1.036 1263 N CA 0.587 53.727 53.050 0.151 0.000 0.901 1263 N CB -0.016 38.535 38.487 0.107 0.000 0.976 1263 N HN 0.419 nan 8.380 nan 0.000 0.444 1264 M N -0.647 119.053 119.600 0.166 0.000 2.495 1264 M HA 0.164 4.643 4.480 -0.001 0.000 0.237 1264 M C 0.683 177.124 176.300 0.236 0.000 1.131 1264 M CA 0.496 55.892 55.300 0.161 0.000 1.032 1264 M CB 0.573 33.218 32.600 0.074 0.000 1.513 1264 M HN 0.146 nan 8.290 nan 0.000 0.488 1265 L N -1.823 119.557 121.223 0.261 0.000 2.766 1265 L HA 0.232 4.571 4.340 -0.001 0.000 0.241 1265 L C 1.471 178.413 176.870 0.119 0.000 1.080 1265 L CA 0.046 55.039 54.840 0.254 0.000 0.909 1265 L CB 0.374 42.672 42.059 0.399 0.000 1.277 1265 L HN 0.219 nan 8.230 nan 0.000 0.510 1266 L N -0.264 121.020 121.223 0.102 0.000 3.260 1266 L HA 0.223 4.562 4.340 -0.001 0.000 0.171 1266 L C 0.435 177.338 176.870 0.055 0.000 1.315 1266 L CA -0.112 54.724 54.840 -0.007 0.000 0.886 1266 L CB 0.113 42.169 42.059 -0.004 0.000 1.431 1266 L HN 0.028 nan 8.230 nan 0.000 0.583 1267 L N 0.507 121.823 121.223 0.155 0.000 2.352 1267 L HA 0.394 4.734 4.340 -0.001 0.000 0.272 1267 L C 0.230 177.304 176.870 0.339 0.000 1.109 1267 L CA -0.550 54.458 54.840 0.280 0.000 0.952 1267 L CB 0.358 42.549 42.059 0.221 0.000 1.314 1267 L HN 0.150 nan 8.230 nan 0.000 0.427 1268 S N 1.725 117.679 115.700 0.424 0.000 2.457 1268 S HA 0.428 4.898 4.470 -0.001 0.000 0.294 1268 S C 0.344 175.092 174.600 0.247 0.000 1.201 1268 S CA -0.025 58.362 58.200 0.312 0.000 1.112 1268 S CB 0.050 63.427 63.200 0.295 0.000 1.018 1268 S HN 0.881 nan 8.310 nan 0.000 0.511 1269 S N 1.914 117.714 115.700 0.165 0.000 2.541 1269 S HA 0.508 4.978 4.470 -0.001 0.000 0.271 1269 S C -0.173 174.411 174.600 -0.027 0.000 1.133 1269 S CA -0.857 57.389 58.200 0.076 0.000 0.876 1269 S CB 1.432 64.750 63.200 0.196 0.000 1.105 1269 S HN 0.498 nan 8.310 nan 0.000 0.470 1270 T N 2.485 116.930 114.554 -0.181 0.000 3.327 1270 T HA 0.416 4.766 4.350 -0.001 0.000 0.241 1270 T C 0.789 175.432 174.700 -0.095 0.000 0.907 1270 T CA -0.041 61.948 62.100 -0.186 0.000 0.931 1270 T CB -0.695 67.911 68.868 -0.437 0.000 1.112 1270 T HN 0.883 nan 8.240 nan 0.000 0.589 1271 G N 2.220 111.000 108.800 -0.034 0.000 2.528 1271 G HA2 0.556 4.515 3.960 -0.001 0.000 0.289 1271 G HA3 0.556 4.515 3.960 -0.001 0.000 0.289 1271 G C -2.619 172.280 174.900 -0.001 0.000 1.192 1271 G CA -1.619 43.474 45.100 -0.012 0.000 0.921 1271 G HN 0.121 nan 8.290 nan 0.000 0.512 1272 P HA 0.257 nan 4.420 nan 0.000 0.268 1272 P C -0.277 177.032 177.300 0.015 0.000 1.208 1272 P CA 0.106 63.210 63.100 0.006 0.000 0.777 1272 P CB 0.654 32.356 31.700 0.003 0.000 0.875 1273 I N -1.917 118.664 120.570 0.018 0.000 2.512 1273 I HA 0.561 4.730 4.170 -0.001 0.000 0.287 1273 I C -1.049 175.085 176.117 0.028 0.000 1.069 1273 I CA -0.875 60.443 61.300 0.028 0.000 1.056 1273 I CB 2.359 40.380 38.000 0.035 0.000 1.229 1273 I HN 0.056 nan 8.210 nan 0.000 0.429 1274 K N 5.054 125.475 120.400 0.034 0.000 2.616 1274 K HA 0.405 4.724 4.320 -0.001 0.000 0.241 1274 K C -0.668 175.957 176.600 0.041 0.000 0.961 1274 K CA -0.540 55.766 56.287 0.032 0.000 0.942 1274 K CB 2.108 34.622 32.500 0.024 0.000 1.153 1274 K HN 0.798 nan 8.250 nan 0.000 0.452 1275 T N 0.561 115.144 114.554 0.047 0.000 2.767 1275 T HA 0.604 4.953 4.350 -0.001 0.000 0.284 1275 T C -2.315 172.406 174.700 0.036 0.000 0.973 1275 T CA -1.834 60.299 62.100 0.056 0.000 0.996 1275 T CB 1.106 70.027 68.868 0.088 0.000 0.927 1275 T HN 0.150 nan 8.240 nan 0.000 0.456 1276 P HA 0.656 nan 4.420 nan 0.000 0.287 1276 P C -1.236 176.051 177.300 -0.021 0.000 1.290 1276 P CA -1.019 62.082 63.100 0.001 0.000 0.889 1276 P CB 1.533 33.230 31.700 -0.005 0.000 1.190 1277 V N 0.898 120.804 119.914 -0.014 0.000 2.380 1277 V HA 0.431 4.550 4.120 -0.001 0.000 0.268 1277 V C 0.882 176.969 176.094 -0.011 0.000 1.008 1277 V CA -0.276 62.010 62.300 -0.024 0.000 0.823 1277 V CB 0.880 32.698 31.823 -0.009 0.000 1.053 1277 V HN 0.862 nan 8.190 nan 0.000 0.446 1278 G N 2.347 111.135 108.800 -0.020 0.000 3.814 1278 G HA2 0.552 4.512 3.960 -0.001 0.000 0.293 1278 G HA3 0.552 4.512 3.960 -0.001 0.000 0.293 1278 G C 0.863 175.775 174.900 0.021 0.000 1.243 1278 G CA 0.748 45.846 45.100 -0.004 0.000 1.053 1278 G HN 1.152 nan 8.290 nan 0.000 0.562 1279 A N -0.507 122.331 122.820 0.030 0.000 5.481 1279 A HA -0.361 3.959 4.320 -0.001 0.000 0.318 1279 A C 2.262 179.898 177.584 0.087 0.000 1.837 1279 A CA 1.452 53.532 52.037 0.072 0.000 0.717 1279 A CB -1.629 17.474 19.000 0.171 0.000 1.349 1279 A HN 0.902 nan 8.150 nan 0.000 0.388 1280 C N -0.632 118.782 119.300 0.191 0.000 2.403 1280 C HA 0.144 4.603 4.460 -0.001 0.000 0.277 1280 C C 2.805 177.857 174.990 0.105 0.000 1.248 1280 C CA 1.774 60.933 59.018 0.235 0.000 1.762 1280 C CB -1.823 26.171 27.740 0.422 0.000 2.014 1280 C HN 1.559 nan 8.230 nan 0.000 0.486 1281 A N -0.341 122.486 122.820 0.012 0.000 2.462 1281 A HA 0.191 4.511 4.320 -0.001 0.000 0.261 1281 A C 1.724 179.269 177.584 -0.066 0.000 1.323 1281 A CA 0.585 52.572 52.037 -0.084 0.000 0.913 1281 A CB -0.549 18.351 19.000 -0.167 0.000 1.028 1281 A HN 0.514 nan 8.150 nan 0.000 0.511 1282 T N 0.674 115.201 114.554 -0.045 0.000 2.635 1282 T HA -0.218 4.132 4.350 -0.001 0.000 0.267 1282 T C 2.338 177.001 174.700 -0.062 0.000 1.040 1282 T CA 2.024 64.087 62.100 -0.061 0.000 1.156 1282 T CB -0.348 68.464 68.868 -0.093 0.000 0.863 1282 T HN 0.684 nan 8.240 nan 0.000 0.430 1283 A N 0.694 123.474 122.820 -0.066 0.000 1.958 1283 A HA -0.126 4.193 4.320 -0.001 0.000 0.221 1283 A C 2.582 180.149 177.584 -0.028 0.000 1.178 1283 A CA 1.840 53.850 52.037 -0.044 0.000 0.642 1283 A CB -1.059 17.912 19.000 -0.048 0.000 0.816 1283 A HN 0.393 nan 8.150 nan 0.000 0.453 1284 V N -0.204 119.682 119.914 -0.046 0.000 2.283 1284 V HA -0.238 3.882 4.120 -0.001 0.000 0.243 1284 V C 2.499 178.564 176.094 -0.048 0.000 1.039 1284 V CA 2.082 64.351 62.300 -0.052 0.000 1.016 1284 V CB -0.765 31.004 31.823 -0.090 0.000 0.650 1284 V HN 0.826 nan 8.190 nan 0.000 0.449 1285 E N 0.244 120.411 120.200 -0.054 0.000 2.147 1285 E HA -0.312 4.038 4.350 -0.001 0.000 0.199 1285 E C 2.314 178.909 176.600 -0.010 0.000 1.005 1285 E CA 1.756 58.134 56.400 -0.036 0.000 0.810 1285 E CB -0.233 29.445 29.700 -0.037 0.000 0.736 1285 E HN 0.533 nan 8.360 nan 0.000 0.460 1286 S N -0.229 115.466 115.700 -0.007 0.000 2.368 1286 S HA -0.156 4.313 4.470 -0.001 0.000 0.225 1286 S C 1.962 176.583 174.600 0.035 0.000 1.030 1286 S CA 1.061 59.270 58.200 0.015 0.000 0.999 1286 S CB -0.324 62.884 63.200 0.014 0.000 0.844 1286 S HN 0.397 nan 8.310 nan 0.000 0.459 1287 L N 2.323 123.561 121.223 0.025 0.000 2.042 1287 L HA -0.091 4.248 4.340 -0.001 0.000 0.210 1287 L C 2.205 179.114 176.870 0.066 0.000 1.076 1287 L CA 2.538 57.401 54.840 0.038 0.000 0.749 1287 L CB -0.947 41.115 42.059 0.005 0.000 0.893 1287 L HN 0.401 nan 8.230 nan 0.000 0.432 1288 D N -0.688 119.733 120.400 0.034 0.000 2.095 1288 D HA -0.198 4.442 4.640 -0.001 0.000 0.192 1288 D C 2.104 178.488 176.300 0.140 0.000 0.990 1288 D CA 2.302 56.348 54.000 0.077 0.000 0.836 1288 D CB -0.228 40.586 40.800 0.023 0.000 0.979 1288 D HN 0.209 nan 8.370 nan 0.000 0.447 1289 V N 1.212 121.173 119.914 0.078 0.000 2.250 1289 V HA -0.291 3.828 4.120 -0.001 0.000 0.253 1289 V C 2.702 178.840 176.094 0.073 0.000 1.065 1289 V CA 2.453 64.791 62.300 0.064 0.000 1.039 1289 V CB -1.286 30.561 31.823 0.040 0.000 0.647 1289 V HN 0.454 nan 8.190 nan 0.000 0.446 1290 G N -1.869 106.980 108.800 0.082 0.000 2.446 1290 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.217 1290 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.217 1290 G C 1.471 176.431 174.900 0.100 0.000 1.168 1290 G CA 1.265 46.411 45.100 0.078 0.000 0.771 1290 G HN 0.578 nan 8.290 nan 0.000 0.551 1291 Y N 2.070 122.376 120.300 0.010 0.000 2.040 1291 Y HA -0.237 4.312 4.550 -0.001 0.000 0.275 1291 Y C 2.528 178.432 175.900 0.007 0.000 1.171 1291 Y CA 2.397 60.504 58.100 0.012 0.000 1.123 1291 Y CB -0.440 38.029 38.460 0.015 0.000 0.963 1291 Y HN 0.219 nan 8.280 nan 0.000 0.493 1292 D N -0.708 119.679 120.400 -0.023 0.000 2.104 1292 D HA -0.176 4.463 4.640 -0.001 0.000 0.194 1292 D C 2.211 178.437 176.300 -0.125 0.000 0.994 1292 D CA 2.211 56.130 54.000 -0.134 0.000 0.830 1292 D CB -0.755 40.050 40.800 0.009 0.000 0.959 1292 D HN 0.417 nan 8.370 nan 0.000 0.452 1293 T N 0.916 115.438 114.554 -0.052 0.000 2.699 1293 T HA -0.127 4.222 4.350 -0.001 0.000 0.268 1293 T C 2.147 176.809 174.700 -0.063 0.000 1.036 1293 T CA 0.668 62.743 62.100 -0.043 0.000 1.147 1293 T CB -0.204 68.657 68.868 -0.011 0.000 0.862 1293 T HN 0.184 nan 8.240 nan 0.000 0.446 1294 I N 0.483 121.006 120.570 -0.078 0.000 2.353 1294 I HA -0.026 4.143 4.170 -0.001 0.000 0.248 1294 I C 1.905 177.950 176.117 -0.119 0.000 1.119 1294 I CA 1.005 62.258 61.300 -0.078 0.000 1.417 1294 I CB -0.192 37.776 38.000 -0.053 0.000 1.078 1294 I HN 0.242 nan 8.210 nan 0.000 0.421 1295 M N 0.303 119.777 119.600 -0.211 0.000 2.654 1295 M HA -0.012 4.468 4.480 -0.001 0.000 0.217 1295 M C 0.574 176.778 176.300 -0.159 0.000 1.183 1295 M CA 0.813 55.977 55.300 -0.226 0.000 0.991 1295 M CB -0.013 32.353 32.600 -0.389 0.000 1.749 1295 M HN 0.291 nan 8.290 nan 0.000 0.475 1296 Q N -0.708 119.024 119.800 -0.114 0.000 2.086 1296 Q HA 0.204 4.544 4.340 -0.001 0.000 0.220 1296 Q C 0.976 176.939 176.000 -0.060 0.000 0.792 1296 Q CA 0.242 55.993 55.803 -0.086 0.000 1.062 1296 Q CB 1.504 30.196 28.738 -0.076 0.000 1.198 1296 Q HN 0.705 nan 8.270 nan 0.000 0.466 1297 G N 1.784 110.551 108.800 -0.055 0.000 2.189 1297 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.267 1297 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.267 1297 G C 1.131 176.018 174.900 -0.021 0.000 0.975 1297 G CA 0.774 45.853 45.100 -0.034 0.000 0.644 1297 G HN 0.196 nan 8.290 nan 0.000 0.537 1298 K N 0.038 120.423 120.400 -0.026 0.000 2.148 1298 K HA 0.352 4.671 4.320 -0.001 0.000 0.204 1298 K C 1.202 177.799 176.600 -0.005 0.000 1.050 1298 K CA 1.563 57.841 56.287 -0.015 0.000 0.942 1298 K CB -0.056 32.432 32.500 -0.019 0.000 0.724 1298 K HN 1.402 nan 8.250 nan 0.000 0.446 1299 A N -0.073 122.741 122.820 -0.010 0.000 2.586 1299 A HA 0.524 4.843 4.320 -0.001 0.000 0.291 1299 A C 0.020 177.599 177.584 -0.009 0.000 1.062 1299 A CA -0.722 51.312 52.037 -0.005 0.000 0.666 1299 A CB 1.020 20.011 19.000 -0.016 0.000 1.281 1299 A HN 0.018 nan 8.150 nan 0.000 0.421 1300 R N -0.212 120.286 120.500 -0.003 0.000 2.119 1300 R HA 0.310 4.650 4.340 -0.001 0.000 0.202 1300 R C 0.589 176.880 176.300 -0.014 0.000 1.114 1300 R CA 0.748 56.851 56.100 0.005 0.000 1.089 1300 R CB 0.169 30.492 30.300 0.039 0.000 1.000 1300 R HN 0.486 nan 8.270 nan 0.000 0.487 1301 V N 0.191 120.061 119.914 -0.074 0.000 2.997 1301 V HA 0.419 4.538 4.120 -0.001 0.000 0.311 1301 V C -0.861 175.139 176.094 -0.157 0.000 1.066 1301 V CA -0.340 61.867 62.300 -0.156 0.000 1.039 1301 V CB 1.780 33.323 31.823 -0.467 0.000 1.081 1301 V HN 0.463 nan 8.190 nan 0.000 0.467 1302 C N 5.821 125.046 119.300 -0.126 0.000 3.198 1302 C HA 0.332 4.791 4.460 -0.001 0.000 0.438 1302 C C -1.095 173.889 174.990 -0.011 0.000 0.952 1302 C CA -1.078 57.903 59.018 -0.061 0.000 1.216 1302 C CB -0.305 27.425 27.740 -0.016 0.000 1.594 1302 C HN 0.929 nan 8.230 nan 0.000 0.598 1303 L N 5.560 126.787 121.223 0.006 0.000 2.380 1303 L HA 0.704 5.043 4.340 -0.001 0.000 0.273 1303 L C 0.028 176.941 176.870 0.073 0.000 1.138 1303 L CA -0.085 54.789 54.840 0.056 0.000 0.832 1303 L CB 1.307 43.413 42.059 0.079 0.000 1.124 1303 L HN 0.506 nan 8.230 nan 0.000 0.454 1304 V N 1.952 121.916 119.914 0.084 0.000 2.925 1304 V HA 0.957 5.076 4.120 -0.001 0.000 0.311 1304 V C 0.187 176.340 176.094 0.098 0.000 1.104 1304 V CA -0.143 62.208 62.300 0.085 0.000 0.954 1304 V CB 1.986 33.852 31.823 0.072 0.000 1.022 1304 V HN 1.007 nan 8.190 nan 0.000 0.427 1305 G N 2.023 110.881 108.800 0.096 0.000 2.333 1305 G HA2 0.615 4.574 3.960 -0.001 0.000 0.288 1305 G HA3 0.615 4.574 3.960 -0.001 0.000 0.288 1305 G C -0.667 174.278 174.900 0.075 0.000 1.286 1305 G CA 0.194 45.355 45.100 0.102 0.000 0.865 1305 G HN 1.286 nan 8.290 nan 0.000 0.506 1306 G N -1.435 107.409 108.800 0.074 0.000 2.690 1306 G HA2 1.017 4.977 3.960 -0.001 0.000 0.291 1306 G HA3 1.017 4.977 3.960 -0.001 0.000 0.291 1306 G C -1.210 173.742 174.900 0.087 0.000 1.403 1306 G CA -0.084 44.998 45.100 -0.031 0.000 0.864 1306 G HN 1.806 nan 8.290 nan 0.000 0.480 1307 F N -1.217 118.753 119.950 0.033 0.000 2.678 1307 F HA 0.831 5.358 4.527 -0.001 0.000 0.308 1307 F C -1.858 173.978 175.800 0.061 0.000 1.118 1307 F CA -1.122 56.913 58.000 0.058 0.000 0.959 1307 F CB 2.372 41.449 39.000 0.129 0.000 1.305 1307 F HN 0.484 nan 8.300 nan 0.000 0.443 1308 D N 0.799 121.407 120.400 0.347 0.000 2.706 1308 D HA 0.276 4.915 4.640 -0.001 0.000 0.227 1308 D C -2.015 174.464 176.300 0.300 0.000 1.233 1308 D CA -0.193 53.974 54.000 0.277 0.000 0.768 1308 D CB 2.599 43.459 40.800 0.100 0.000 1.490 1308 D HN 0.703 nan 8.370 nan 0.000 0.458 1309 D N -0.058 120.527 120.400 0.310 0.000 2.440 1309 D HA 0.513 5.153 4.640 -0.001 0.000 0.258 1309 D C -1.078 175.437 176.300 0.359 0.000 1.092 1309 D CA -0.431 53.786 54.000 0.362 0.000 1.016 1309 D CB 0.981 41.986 40.800 0.342 0.000 1.141 1309 D HN 0.154 nan 8.370 nan 0.000 0.552 1310 F N 1.173 121.294 119.950 0.284 0.000 2.436 1310 F HA 0.451 4.977 4.527 -0.001 0.000 0.340 1310 F C -0.505 175.406 175.800 0.185 0.000 1.113 1310 F CA -0.165 57.970 58.000 0.225 0.000 1.022 1310 F CB 0.874 40.022 39.000 0.247 0.000 1.128 1310 F HN 0.148 nan 8.300 nan 0.000 0.466 1311 Q N 4.028 123.353 119.800 -0.793 0.000 2.462 1311 Q HA 0.103 4.442 4.340 -0.001 0.000 0.285 1311 Q C 0.414 175.844 176.000 -0.950 0.000 1.035 1311 Q CA -0.676 54.711 55.803 -0.693 0.000 0.799 1311 Q CB 2.381 30.954 28.738 -0.275 0.000 1.452 1311 Q HN 0.892 nan 8.270 nan 0.000 0.404 1312 E N 1.127 120.787 120.200 -0.901 0.000 2.070 1312 E HA -0.248 4.101 4.350 -0.001 0.000 0.197 1312 E C 0.824 177.103 176.600 -0.536 0.000 1.004 1312 E CA 1.912 57.667 56.400 -1.074 0.000 0.805 1312 E CB 0.371 29.519 29.700 -0.920 0.000 0.744 1312 E HN 0.516 nan 8.360 nan 0.000 0.451 1313 E N -0.231 119.737 120.200 -0.386 0.000 2.152 1313 E HA -0.082 4.268 4.350 -0.001 0.000 0.192 1313 E C 2.087 178.563 176.600 -0.206 0.000 0.983 1313 E CA 0.904 57.147 56.400 -0.261 0.000 0.818 1313 E CB -0.327 29.234 29.700 -0.231 0.000 0.758 1313 E HN 0.404 nan 8.360 nan 0.000 0.467 1314 G N 1.690 110.341 108.800 -0.247 0.000 2.505 1314 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.214 1314 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.214 1314 G C 1.711 176.595 174.900 -0.026 0.000 1.237 1314 G CA 1.099 46.089 45.100 -0.182 0.000 0.802 1314 G HN 0.365 nan 8.290 nan 0.000 0.549 1315 S N -0.574 115.110 115.700 -0.026 0.000 2.380 1315 S HA -0.251 4.218 4.470 -0.001 0.000 0.229 1315 S C 2.115 176.940 174.600 0.376 0.000 1.043 1315 S CA 1.932 60.284 58.200 0.252 0.000 1.038 1315 S CB -0.502 62.826 63.200 0.213 0.000 0.872 1315 S HN 0.482 nan 8.310 nan 0.000 0.456 1316 Y N 1.214 121.579 120.300 0.109 0.000 2.293 1316 Y HA -0.012 4.537 4.550 -0.001 0.000 0.291 1316 Y C 2.341 178.261 175.900 0.035 0.000 1.137 1316 Y CA 1.869 59.977 58.100 0.014 0.000 1.202 1316 Y CB -0.136 38.109 38.460 -0.357 0.000 0.990 1316 Y HN 0.285 nan 8.280 nan 0.000 0.537 1317 E N -0.238 120.025 120.200 0.106 0.000 2.086 1317 E HA -0.100 4.250 4.350 -0.001 0.000 0.190 1317 E C 1.838 178.395 176.600 -0.072 0.000 0.975 1317 E CA 1.288 57.666 56.400 -0.036 0.000 0.813 1317 E CB -0.626 28.954 29.700 -0.200 0.000 0.768 1317 E HN 0.515 nan 8.360 nan 0.000 0.457 1318 F N 0.562 120.526 119.950 0.023 0.000 2.126 1318 F HA -0.217 4.310 4.527 -0.001 0.000 0.299 1318 F C 2.279 178.076 175.800 -0.004 0.000 1.096 1318 F CA 1.012 59.025 58.000 0.022 0.000 1.255 1318 F CB -0.390 38.621 39.000 0.019 0.000 0.997 1318 F HN 0.106 nan 8.300 nan 0.000 0.479 1319 A N 0.128 123.064 122.820 0.192 0.000 2.024 1319 A HA -0.248 4.071 4.320 -0.001 0.000 0.220 1319 A C 1.756 179.357 177.584 0.027 0.000 1.164 1319 A CA 2.167 54.249 52.037 0.075 0.000 0.643 1319 A CB -0.902 18.184 19.000 0.143 0.000 0.806 1319 A HN 0.445 nan 8.150 nan 0.000 0.451 1320 N N -0.793 117.910 118.700 0.006 0.000 2.409 1320 N HA 0.028 4.767 4.740 -0.001 0.000 0.179 1320 N C 1.613 177.146 175.510 0.040 0.000 1.032 1320 N CA 1.255 54.303 53.050 -0.003 0.000 0.898 1320 N CB -0.171 38.308 38.487 -0.013 0.000 0.971 1320 N HN 0.542 nan 8.380 nan 0.000 0.441 1321 M N -2.014 117.636 119.600 0.084 0.000 2.435 1321 M HA 0.235 4.714 4.480 -0.001 0.000 0.265 1321 M C 0.986 177.355 176.300 0.117 0.000 1.104 1321 M CA 0.792 56.168 55.300 0.127 0.000 1.140 1321 M CB 0.411 33.143 32.600 0.221 0.000 1.372 1321 M HN 0.213 nan 8.290 nan 0.000 0.456 1322 G N 0.108 108.964 108.800 0.092 0.000 2.138 1322 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.193 1322 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.193 1322 G C 0.761 175.683 174.900 0.036 0.000 0.998 1322 G CA 0.285 45.412 45.100 0.044 0.000 0.668 1322 G HN 0.484 nan 8.290 nan 0.000 0.516 1323 A N 0.108 122.976 122.820 0.080 0.000 1.843 1323 A HA 0.406 4.725 4.320 -0.001 0.000 0.213 1323 A C 1.936 179.201 177.584 -0.532 0.000 1.202 1323 A CA 2.305 54.356 52.037 0.025 0.000 0.607 1323 A CB -1.021 18.205 19.000 0.377 0.000 0.847 1323 A HN 1.528 nan 8.150 nan 0.000 0.445 1324 T N 0.357 114.504 114.554 -0.678 0.000 2.734 1324 T HA 0.377 4.726 4.350 -0.001 0.000 0.314 1324 T C 0.373 174.840 174.700 -0.388 0.000 1.057 1324 T CA 0.111 61.756 62.100 -0.758 0.000 1.047 1324 T CB 0.422 69.026 68.868 -0.440 0.000 0.991 1324 T HN 0.707 nan 8.240 nan 0.000 0.540 1325 S N 0.682 116.199 115.700 -0.305 0.000 2.462 1325 S HA 0.303 4.773 4.470 -0.001 0.000 0.294 1325 S C -0.133 174.365 174.600 -0.169 0.000 1.144 1325 S CA -1.096 56.992 58.200 -0.187 0.000 1.088 1325 S CB 0.744 63.861 63.200 -0.138 0.000 1.009 1325 S HN 0.679 nan 8.310 nan 0.000 0.484 1326 N N 2.342 120.955 118.700 -0.145 0.000 2.400 1326 N HA 0.174 4.913 4.740 -0.001 0.000 0.278 1326 N C 1.274 176.725 175.510 -0.099 0.000 1.247 1326 N CA 0.209 53.175 53.050 -0.140 0.000 0.970 1326 N CB 0.626 39.044 38.487 -0.115 0.000 1.312 1326 N HN 0.794 nan 8.380 nan 0.000 0.488 1327 A N 4.894 127.666 122.820 -0.080 0.000 1.892 1327 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 1327 A C 2.120 179.825 177.584 0.201 0.000 1.188 1327 A CA 1.558 53.615 52.037 0.033 0.000 0.631 1327 A CB -0.341 18.741 19.000 0.136 0.000 0.822 1327 A HN 0.727 nan 8.150 nan 0.000 0.447 1328 K N -0.634 119.832 120.400 0.110 0.000 2.063 1328 K HA -0.166 4.153 4.320 -0.001 0.000 0.208 1328 K C 2.075 178.711 176.600 0.059 0.000 1.048 1328 K CA 1.764 58.107 56.287 0.092 0.000 0.928 1328 K CB -0.160 32.332 32.500 -0.013 0.000 0.713 1328 K HN 0.649 nan 8.250 nan 0.000 0.442 1329 E N 0.109 120.306 120.200 -0.005 0.000 2.106 1329 E HA -0.171 4.178 4.350 -0.001 0.000 0.192 1329 E C 1.822 178.396 176.600 -0.044 0.000 0.984 1329 E CA 0.918 57.298 56.400 -0.035 0.000 0.806 1329 E CB 0.152 29.818 29.700 -0.056 0.000 0.750 1329 E HN 0.318 nan 8.360 nan 0.000 0.458 1330 E N -0.264 119.900 120.200 -0.060 0.000 2.158 1330 E HA -0.080 4.270 4.350 -0.001 0.000 0.191 1330 E C 1.605 178.112 176.600 -0.155 0.000 0.982 1330 E CA 0.310 56.633 56.400 -0.129 0.000 0.823 1330 E CB 0.019 29.605 29.700 -0.190 0.000 0.766 1330 E HN 0.233 nan 8.360 nan 0.000 0.468 1331 F N 0.656 120.552 119.950 -0.090 0.000 2.451 1331 F HA -0.096 4.430 4.527 -0.001 0.000 0.299 1331 F C 2.124 177.853 175.800 -0.118 0.000 1.101 1331 F CA 0.751 58.695 58.000 -0.093 0.000 1.436 1331 F CB 0.166 39.114 39.000 -0.088 0.000 1.074 1331 F HN 0.005 nan 8.300 nan 0.000 0.553 1332 A N -0.505 122.338 122.820 0.037 0.000 2.275 1332 A HA 0.105 4.425 4.320 -0.001 0.000 0.212 1332 A C 1.826 179.333 177.584 -0.129 0.000 1.201 1332 A CA 0.062 52.066 52.037 -0.056 0.000 0.843 1332 A CB -0.268 18.696 19.000 -0.060 0.000 0.873 1332 A HN 0.257 nan 8.150 nan 0.000 0.492 1333 R N -1.230 119.193 120.500 -0.128 0.000 2.432 1333 R HA 0.243 4.582 4.340 -0.001 0.000 0.260 1333 R C 1.160 177.342 176.300 -0.196 0.000 0.935 1333 R CA 0.532 56.534 56.100 -0.163 0.000 1.080 1333 R CB 0.314 30.541 30.300 -0.122 0.000 1.155 1333 R HN 0.584 nan 8.270 nan 0.000 0.531 1334 G N 1.748 110.430 108.800 -0.196 0.000 2.179 1334 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.260 1334 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.260 1334 G C 0.132 174.997 174.900 -0.058 0.000 0.977 1334 G CA -0.251 44.724 45.100 -0.210 0.000 0.641 1334 G HN 0.107 nan 8.290 nan 0.000 0.533 1335 R N 1.290 121.726 120.500 -0.107 0.000 2.590 1335 R HA 0.365 4.705 4.340 -0.001 0.000 0.274 1335 R C 0.574 176.725 176.300 -0.248 0.000 1.061 1335 R CA 0.202 56.217 56.100 -0.143 0.000 1.081 1335 R CB 0.352 30.532 30.300 -0.201 0.000 0.984 1335 R HN 0.632 nan 8.270 nan 0.000 0.448 1336 E N 3.260 123.364 120.200 -0.159 0.000 2.222 1336 E HA 0.306 4.656 4.350 -0.001 0.000 0.272 1336 E C -2.248 174.226 176.600 -0.210 0.000 0.982 1336 E CA -2.064 54.246 56.400 -0.149 0.000 0.842 1336 E CB 0.891 30.584 29.700 -0.012 0.000 1.144 1336 E HN 0.208 nan 8.360 nan 0.000 0.397 1337 P HA -0.059 nan 4.420 nan 0.000 0.262 1337 P C 0.591 177.865 177.300 -0.043 0.000 1.182 1337 P CA 1.053 64.082 63.100 -0.117 0.000 0.761 1337 P CB 0.336 32.045 31.700 0.015 0.000 0.795 1338 G N 2.759 111.540 108.800 -0.032 0.000 2.205 1338 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.261 1338 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.261 1338 G C 0.380 175.328 174.900 0.079 0.000 0.980 1338 G CA 0.054 45.181 45.100 0.044 0.000 0.632 1338 G HN 0.569 nan 8.290 nan 0.000 0.533 1339 E N -0.168 120.046 120.200 0.023 0.000 2.815 1339 E HA 0.476 4.825 4.350 -0.001 0.000 0.211 1339 E C 1.586 178.171 176.600 -0.025 0.000 1.004 1339 E CA -0.226 56.191 56.400 0.028 0.000 1.173 1339 E CB 0.154 29.869 29.700 0.026 0.000 1.163 1339 E HN 0.589 nan 8.360 nan 0.000 0.449 1340 M N -0.842 118.735 119.600 -0.039 0.000 2.313 1340 M HA 0.222 4.701 4.480 -0.001 0.000 0.273 1340 M C 0.742 177.026 176.300 -0.026 0.000 1.049 1340 M CA 0.075 55.329 55.300 -0.077 0.000 1.004 1340 M CB 0.968 33.483 32.600 -0.142 0.000 1.461 1340 M HN -0.113 nan 8.290 nan 0.000 0.514 1341 S N 2.241 117.958 115.700 0.028 0.000 2.475 1341 S HA 0.459 4.928 4.470 -0.001 0.000 0.249 1341 S C -0.517 174.128 174.600 0.074 0.000 1.298 1341 S CA -0.679 57.562 58.200 0.068 0.000 1.125 1341 S CB 0.093 63.366 63.200 0.122 0.000 1.054 1341 S HN 0.368 nan 8.310 nan 0.000 0.484 1342 R N 3.979 124.486 120.500 0.010 0.000 2.287 1342 R HA 0.343 4.682 4.340 -0.001 0.000 0.316 1342 R C -2.383 173.857 176.300 -0.101 0.000 1.050 1342 R CA -1.899 54.176 56.100 -0.043 0.000 0.983 1342 R CB 0.898 31.157 30.300 -0.068 0.000 1.140 1342 R HN 0.246 nan 8.270 nan 0.000 0.528 1343 P HA -0.121 nan 4.420 nan 0.000 0.222 1343 P C 0.519 177.543 177.300 -0.459 0.000 1.147 1343 P CA 1.146 64.102 63.100 -0.241 0.000 0.790 1343 P CB 0.460 32.025 31.700 -0.225 0.000 0.780 1344 T N -7.024 107.218 114.554 -0.520 0.000 3.041 1344 T HA 0.167 4.516 4.350 -0.001 0.000 0.276 1344 T C 0.752 175.218 174.700 -0.390 0.000 0.948 1344 T CA -0.255 61.494 62.100 -0.585 0.000 0.885 1344 T CB -0.583 67.726 68.868 -0.932 0.000 1.175 1344 T HN -0.093 nan 8.240 nan 0.000 0.529 1345 S N 1.741 117.278 115.700 -0.271 0.000 2.549 1345 S HA 0.051 4.520 4.470 -0.001 0.000 0.278 1345 S C 1.587 176.104 174.600 -0.139 0.000 1.344 1345 S CA 0.365 58.462 58.200 -0.170 0.000 1.025 1345 S CB 0.298 63.434 63.200 -0.108 0.000 0.851 1345 S HN 0.437 nan 8.310 nan 0.000 0.530 1346 T N 2.540 117.042 114.554 -0.086 0.000 2.915 1346 T HA -0.058 4.291 4.350 -0.001 0.000 0.269 1346 T C 1.639 176.308 174.700 -0.051 0.000 1.071 1346 T CA 1.712 63.777 62.100 -0.059 0.000 1.132 1346 T CB -0.423 68.432 68.868 -0.020 0.000 0.878 1346 T HN 0.801 nan 8.240 nan 0.000 0.479 1347 T N 1.794 116.320 114.554 -0.046 0.000 3.107 1347 T HA 0.083 4.432 4.350 -0.001 0.000 0.249 1347 T C 0.814 175.483 174.700 -0.052 0.000 1.096 1347 T CA -0.390 61.686 62.100 -0.041 0.000 1.012 1347 T CB -0.254 68.597 68.868 -0.029 0.000 0.977 1347 T HN 0.560 nan 8.240 nan 0.000 0.527 1348 R N 3.133 123.593 120.500 -0.065 0.000 2.494 1348 R HA 0.047 4.386 4.340 -0.001 0.000 0.291 1348 R C 0.380 176.651 176.300 -0.048 0.000 0.953 1348 R CA 0.557 56.620 56.100 -0.062 0.000 1.098 1348 R CB -0.039 30.211 30.300 -0.083 0.000 0.911 1348 R HN 0.266 nan 8.270 nan 0.000 0.407 1349 N N 1.404 120.080 118.700 -0.041 0.000 2.129 1349 N HA 0.160 4.900 4.740 -0.001 0.000 0.222 1349 N C -0.130 175.357 175.510 -0.038 0.000 1.303 1349 N CA 0.273 53.298 53.050 -0.041 0.000 0.897 1349 N CB 1.386 39.841 38.487 -0.052 0.000 1.093 1349 N HN 0.766 nan 8.380 nan 0.000 0.501 1350 G N 0.013 108.794 108.800 -0.031 0.000 2.377 1350 G HA2 0.388 4.347 3.960 -0.001 0.000 0.297 1350 G HA3 0.388 4.347 3.960 -0.001 0.000 0.297 1350 G C -1.339 173.552 174.900 -0.015 0.000 1.547 1350 G CA -0.844 44.227 45.100 -0.049 0.000 0.833 1350 G HN 0.225 nan 8.290 nan 0.000 0.583 1351 F N -0.053 119.887 119.950 -0.018 0.000 2.348 1351 F HA 0.926 5.453 4.527 -0.001 0.000 0.308 1351 F C 0.065 175.848 175.800 -0.030 0.000 1.175 1351 F CA -1.800 56.195 58.000 -0.009 0.000 1.080 1351 F CB 1.119 40.140 39.000 0.035 0.000 1.341 1351 F HN 0.471 nan 8.300 nan 0.000 0.518 1352 M N 2.266 122.148 119.600 0.470 0.000 2.181 1352 M HA 0.321 4.800 4.480 -0.001 0.000 0.323 1352 M C -0.771 175.735 176.300 0.343 0.000 1.004 1352 M CA -0.798 54.647 55.300 0.242 0.000 0.941 1352 M CB 0.634 33.333 32.600 0.166 0.000 1.579 1352 M HN 0.599 nan 8.290 nan 0.000 0.427 1353 E N 1.955 122.248 120.200 0.156 0.000 2.413 1353 E HA 0.270 4.620 4.350 -0.001 0.000 0.263 1353 E C -0.987 175.660 176.600 0.078 0.000 1.015 1353 E CA 0.297 56.799 56.400 0.171 0.000 0.916 1353 E CB 0.831 30.671 29.700 0.232 0.000 0.947 1353 E HN 0.687 nan 8.360 nan 0.000 0.440 1354 S N 1.269 117.046 115.700 0.128 0.000 2.565 1354 S HA 0.323 4.792 4.470 -0.001 0.000 0.269 1354 S C -1.511 173.190 174.600 0.168 0.000 1.153 1354 S CA -0.784 57.485 58.200 0.115 0.000 0.835 1354 S CB 1.157 64.469 63.200 0.186 0.000 1.122 1354 S HN 0.473 nan 8.310 nan 0.000 0.462 1355 Q N 1.404 121.311 119.800 0.178 0.000 2.416 1355 Q HA 0.900 5.240 4.340 -0.001 0.000 0.279 1355 Q C 0.094 176.161 176.000 0.111 0.000 1.101 1355 Q CA -0.756 55.155 55.803 0.179 0.000 0.830 1355 Q CB 1.731 30.619 28.738 0.249 0.000 1.402 1355 Q HN 1.288 nan 8.270 nan 0.000 0.445 1356 G N -0.658 108.155 108.800 0.022 0.000 2.353 1356 G HA2 0.201 4.160 3.960 -0.001 0.000 0.615 1356 G HA3 0.201 4.160 3.960 -0.001 0.000 0.615 1356 G C -0.697 174.312 174.900 0.182 0.000 1.280 1356 G CA -0.520 44.578 45.100 -0.004 0.000 1.000 1356 G HN 1.556 nan 8.290 nan 0.000 0.516 1357 C N -1.314 118.166 119.300 0.301 0.000 3.318 1357 C HA 1.129 5.588 4.460 -0.001 0.000 0.329 1357 C C 0.398 175.681 174.990 0.488 0.000 1.449 1357 C CA 0.210 59.423 59.018 0.325 0.000 1.397 1357 C CB 1.430 29.393 27.740 0.372 0.000 1.810 1357 C HN 2.780 nan 8.230 nan 0.000 0.449 1358 G N 0.460 109.469 108.800 0.348 0.000 2.734 1358 G HA2 0.622 4.581 3.960 -0.001 0.000 0.293 1358 G HA3 0.622 4.581 3.960 -0.001 0.000 0.293 1358 G C -1.773 173.267 174.900 0.233 0.000 1.422 1358 G CA -0.222 45.099 45.100 0.368 0.000 1.177 1358 G HN 1.192 nan 8.290 nan 0.000 0.565 1359 V N 2.028 122.059 119.914 0.195 0.000 3.001 1359 V HA 0.807 4.926 4.120 -0.001 0.000 0.314 1359 V C -0.806 175.350 176.094 0.103 0.000 1.099 1359 V CA -0.843 61.548 62.300 0.151 0.000 0.989 1359 V CB 2.166 34.086 31.823 0.162 0.000 1.040 1359 V HN 0.926 nan 8.190 nan 0.000 0.434 1360 Q N 1.728 121.579 119.800 0.085 0.000 2.280 1360 Q HA 0.566 4.905 4.340 -0.001 0.000 0.259 1360 Q C -1.325 174.715 176.000 0.067 0.000 0.964 1360 Q CA -0.582 55.250 55.803 0.049 0.000 0.844 1360 Q CB 2.108 30.864 28.738 0.030 0.000 1.334 1360 Q HN 0.613 nan 8.270 nan 0.000 0.423 1361 V N 4.468 124.425 119.914 0.072 0.000 2.546 1361 V HA 0.636 4.755 4.120 -0.001 0.000 0.284 1361 V C -0.162 175.984 176.094 0.087 0.000 1.050 1361 V CA -0.360 61.994 62.300 0.090 0.000 0.981 1361 V CB 0.541 32.444 31.823 0.135 0.000 0.990 1361 V HN 0.780 nan 8.190 nan 0.000 0.474 1362 I N 4.440 125.054 120.570 0.073 0.000 2.646 1362 I HA 0.734 4.903 4.170 -0.001 0.000 0.299 1362 I C -0.559 175.598 176.117 0.066 0.000 1.036 1362 I CA -0.949 60.398 61.300 0.078 0.000 1.074 1362 I CB 2.259 40.309 38.000 0.084 0.000 1.258 1362 I HN 0.642 nan 8.210 nan 0.000 0.430 1363 M N 2.256 121.901 119.600 0.076 0.000 2.664 1363 M HA 0.382 4.862 4.480 -0.001 0.000 0.279 1363 M C -0.544 175.793 176.300 0.062 0.000 1.275 1363 M CA -0.659 54.682 55.300 0.068 0.000 0.829 1363 M CB 2.942 35.597 32.600 0.092 0.000 1.727 1363 M HN 0.625 nan 8.290 nan 0.000 0.459 1364 T N 1.286 115.870 114.554 0.050 0.000 2.916 1364 T HA 0.176 4.526 4.350 -0.001 0.000 0.303 1364 T C 1.157 175.887 174.700 0.050 0.000 1.025 1364 T CA 0.299 62.427 62.100 0.047 0.000 1.142 1364 T CB 1.199 70.089 68.868 0.037 0.000 0.947 1364 T HN 0.738 nan 8.240 nan 0.000 0.544 1365 A N 3.355 126.209 122.820 0.058 0.000 1.927 1365 A HA -0.238 4.082 4.320 -0.001 0.000 0.220 1365 A C 2.245 179.844 177.584 0.026 0.000 1.185 1365 A CA 1.823 53.885 52.037 0.042 0.000 0.639 1365 A CB -0.685 18.361 19.000 0.076 0.000 0.820 1365 A HN 0.922 nan 8.150 nan 0.000 0.451 1366 Q N -1.016 118.805 119.800 0.036 0.000 1.927 1366 Q HA -0.198 4.142 4.340 -0.001 0.000 0.210 1366 Q C 2.181 178.195 176.000 0.024 0.000 1.001 1366 Q CA 1.586 57.408 55.803 0.032 0.000 0.862 1366 Q CB -0.473 28.288 28.738 0.038 0.000 0.934 1366 Q HN 0.648 nan 8.270 nan 0.000 0.420 1367 L N 0.470 121.712 121.223 0.031 0.000 2.103 1367 L HA -0.284 4.056 4.340 -0.001 0.000 0.215 1367 L C 2.209 179.068 176.870 -0.018 0.000 1.080 1367 L CA 1.964 56.815 54.840 0.019 0.000 0.764 1367 L CB -0.907 41.188 42.059 0.060 0.000 0.890 1367 L HN 0.310 nan 8.230 nan 0.000 0.435 1368 A N 0.197 123.028 122.820 0.018 0.000 1.841 1368 A HA -0.243 4.076 4.320 -0.001 0.000 0.216 1368 A C 2.178 179.795 177.584 0.055 0.000 1.199 1368 A CA 1.971 54.030 52.037 0.036 0.000 0.621 1368 A CB -0.886 18.137 19.000 0.040 0.000 0.835 1368 A HN 0.500 nan 8.150 nan 0.000 0.445 1369 L N -0.793 120.436 121.223 0.010 0.000 2.083 1369 L HA -0.185 4.154 4.340 -0.001 0.000 0.209 1369 L C 2.655 179.587 176.870 0.104 0.000 1.083 1369 L CA 1.740 56.592 54.840 0.020 0.000 0.752 1369 L CB -0.539 41.459 42.059 -0.101 0.000 0.899 1369 L HN 0.661 nan 8.230 nan 0.000 0.433 1370 E N 0.492 120.701 120.200 0.015 0.000 2.077 1370 E HA -0.238 4.111 4.350 -0.001 0.000 0.193 1370 E C 2.317 178.823 176.600 -0.157 0.000 0.989 1370 E CA 1.264 57.654 56.400 -0.018 0.000 0.800 1370 E CB -0.013 29.681 29.700 -0.009 0.000 0.746 1370 E HN 0.443 nan 8.360 nan 0.000 0.452 1371 M N -0.580 118.816 119.600 -0.339 0.000 2.200 1371 M HA 0.051 4.530 4.480 -0.001 0.000 0.265 1371 M C 1.054 177.244 176.300 -0.184 0.000 1.066 1371 M CA 1.109 56.048 55.300 -0.600 0.000 1.127 1371 M CB 0.217 32.463 32.600 -0.589 0.000 1.379 1371 M HN 0.317 nan 8.290 nan 0.000 0.420 1372 G N 1.939 110.745 108.800 0.010 0.000 2.643 1372 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.280 1372 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.280 1372 G C -0.416 174.481 174.900 -0.005 0.000 1.120 1372 G CA -0.020 45.121 45.100 0.070 0.000 1.165 1372 G HN 0.472 nan 8.290 nan 0.000 0.540 1373 V N -1.837 118.133 119.914 0.093 0.000 2.960 1373 V HA 0.941 5.060 4.120 -0.001 0.000 0.315 1373 V C -1.868 174.238 176.094 0.020 0.000 1.087 1373 V CA -3.020 59.272 62.300 -0.014 0.000 0.982 1373 V CB 2.015 33.829 31.823 -0.014 0.000 1.039 1373 V HN 0.184 nan 8.190 nan 0.000 0.437 1374 P HA 0.353 nan 4.420 nan 0.000 0.269 1374 P C -0.739 176.551 177.300 -0.016 0.000 1.217 1374 P CA 0.216 63.159 63.100 -0.261 0.000 0.783 1374 P CB 0.306 31.561 31.700 -0.742 0.000 0.898 1375 I N 1.584 122.169 120.570 0.025 0.000 2.476 1375 I HA 0.195 4.364 4.170 -0.001 0.000 0.281 1375 I C 0.230 176.331 176.117 -0.026 0.000 1.040 1375 I CA -0.387 60.957 61.300 0.073 0.000 1.094 1375 I CB 1.425 39.491 38.000 0.111 0.000 1.219 1375 I HN 0.380 nan 8.210 nan 0.000 0.450 1376 Y N 4.445 124.744 120.300 -0.002 0.000 2.457 1376 Y HA 0.261 4.810 4.550 -0.001 0.000 0.292 1376 Y C 1.523 177.388 175.900 -0.059 0.000 1.125 1376 Y CA 0.647 58.727 58.100 -0.034 0.000 1.254 1376 Y CB 0.525 38.962 38.460 -0.039 0.000 1.012 1376 Y HN 0.650 nan 8.280 nan 0.000 0.555 1377 G N -0.740 108.107 108.800 0.078 0.000 2.322 1377 G HA2 0.376 4.335 3.960 -0.001 0.000 0.295 1377 G HA3 0.376 4.335 3.960 -0.001 0.000 0.295 1377 G C -1.931 172.930 174.900 -0.065 0.000 1.369 1377 G CA -1.022 44.077 45.100 -0.002 0.000 0.821 1377 G HN -0.102 nan 8.290 nan 0.000 0.536 1378 I N 0.826 121.295 120.570 -0.169 0.000 2.362 1378 I HA 0.313 4.482 4.170 -0.001 0.000 0.289 1378 I C 0.217 176.228 176.117 -0.177 0.000 0.994 1378 I CA -1.020 60.150 61.300 -0.217 0.000 1.158 1378 I CB 2.037 39.739 38.000 -0.496 0.000 1.315 1378 I HN 0.178 nan 8.210 nan 0.000 0.451 1379 V N 7.012 126.884 119.914 -0.068 0.000 2.377 1379 V HA 0.013 4.132 4.120 -0.001 0.000 0.254 1379 V C 1.294 177.327 176.094 -0.101 0.000 1.060 1379 V CA 0.417 62.655 62.300 -0.103 0.000 1.068 1379 V CB 0.242 32.042 31.823 -0.038 0.000 1.113 1379 V HN 1.012 nan 8.190 nan 0.000 0.484 1380 A N 5.389 128.097 122.820 -0.185 0.000 1.855 1380 A HA 0.129 4.448 4.320 -0.001 0.000 0.215 1380 A C 0.956 178.514 177.584 -0.044 0.000 1.191 1380 A CA 1.335 53.330 52.037 -0.070 0.000 0.613 1380 A CB 0.104 19.001 19.000 -0.173 0.000 0.829 1380 A HN 0.699 nan 8.150 nan 0.000 0.442 1381 M N -0.729 118.734 119.600 -0.229 0.000 2.471 1381 M HA 0.472 4.951 4.480 -0.001 0.000 0.284 1381 M C -1.856 174.224 176.300 -0.367 0.000 1.203 1381 M CA -0.103 55.049 55.300 -0.246 0.000 0.915 1381 M CB 2.083 34.603 32.600 -0.134 0.000 1.734 1381 M HN 0.361 nan 8.290 nan 0.000 0.485 1382 T N 0.183 114.505 114.554 -0.387 0.000 2.900 1382 T HA 0.911 5.261 4.350 -0.001 0.000 0.303 1382 T C -0.990 173.636 174.700 -0.124 0.000 1.142 1382 T CA -0.286 61.650 62.100 -0.274 0.000 1.007 1382 T CB 1.772 70.444 68.868 -0.327 0.000 1.156 1382 T HN 1.110 nan 8.240 nan 0.000 0.490 1383 S N 0.093 115.733 115.700 -0.101 0.000 2.586 1383 S HA 0.715 5.184 4.470 -0.001 0.000 0.277 1383 S C -0.741 173.809 174.600 -0.083 0.000 1.131 1383 S CA -0.841 57.324 58.200 -0.058 0.000 0.848 1383 S CB 1.162 64.338 63.200 -0.039 0.000 1.091 1383 S HN 1.444 nan 8.310 nan 0.000 0.453 1384 T N -0.914 113.604 114.554 -0.060 0.000 2.912 1384 T HA 0.943 5.292 4.350 -0.001 0.000 0.288 1384 T C -0.298 174.364 174.700 -0.063 0.000 1.030 1384 T CA -0.628 61.426 62.100 -0.076 0.000 1.020 1384 T CB 1.522 70.359 68.868 -0.052 0.000 1.056 1384 T HN 1.973 nan 8.240 nan 0.000 0.480 1385 A N 1.720 124.495 122.820 -0.075 0.000 2.513 1385 A HA 0.684 5.003 4.320 -0.001 0.000 0.296 1385 A C -0.068 177.496 177.584 -0.034 0.000 1.052 1385 A CA -0.941 51.066 52.037 -0.051 0.000 0.714 1385 A CB 1.145 20.111 19.000 -0.057 0.000 1.279 1385 A HN 0.863 nan 8.150 nan 0.000 0.397 1386 T N 1.452 115.999 114.554 -0.013 0.000 2.881 1386 T HA 0.570 4.920 4.350 -0.001 0.000 0.278 1386 T C -0.225 174.483 174.700 0.013 0.000 0.982 1386 T CA -0.383 61.719 62.100 0.004 0.000 0.989 1386 T CB 0.693 69.565 68.868 0.007 0.000 1.058 1386 T HN 0.671 nan 8.240 nan 0.000 0.529 1387 D N -0.121 120.293 120.400 0.023 0.000 2.589 1387 D HA 0.328 4.967 4.640 -0.001 0.000 0.268 1387 D C 0.491 176.800 176.300 0.015 0.000 1.182 1387 D CA -0.728 53.286 54.000 0.024 0.000 1.087 1387 D CB 0.502 41.323 40.800 0.035 0.000 1.186 1387 D HN 0.553 nan 8.370 nan 0.000 0.620 1388 K N -0.121 120.286 120.400 0.012 0.000 2.273 1388 K HA 0.313 4.633 4.320 -0.001 0.000 0.240 1388 K C 0.306 176.911 176.600 0.009 0.000 1.056 1388 K CA -0.581 55.711 56.287 0.008 0.000 0.910 1388 K CB 0.283 32.786 32.500 0.004 0.000 1.196 1388 K HN 0.292 nan 8.250 nan 0.000 0.509 1389 I N 0.453 121.028 120.570 0.007 0.000 2.752 1389 I HA 0.114 4.283 4.170 -0.001 0.000 0.287 1389 I C 0.730 176.852 176.117 0.009 0.000 1.188 1389 I CA 0.962 62.267 61.300 0.009 0.000 1.427 1389 I CB 0.587 38.591 38.000 0.007 0.000 1.365 1389 I HN 0.904 nan 8.210 nan 0.000 0.585 1390 G N 5.081 113.887 108.800 0.011 0.000 2.488 1390 G HA2 0.421 4.380 3.960 -0.001 0.000 0.301 1390 G HA3 0.421 4.380 3.960 -0.001 0.000 0.301 1390 G C -0.377 174.532 174.900 0.014 0.000 1.339 1390 G CA -0.595 44.512 45.100 0.011 0.000 0.803 1390 G HN 0.414 nan 8.290 nan 0.000 0.482 1391 R N -0.496 120.013 120.500 0.015 0.000 2.531 1391 R HA 0.279 4.618 4.340 -0.001 0.000 0.316 1391 R C 0.655 176.969 176.300 0.023 0.000 0.955 1391 R CA -0.165 55.946 56.100 0.019 0.000 1.120 1391 R CB 0.895 31.205 30.300 0.016 0.000 1.361 1391 R HN 0.388 nan 8.270 nan 0.000 0.534 1392 S N 1.106 116.818 115.700 0.019 0.000 2.411 1392 S HA 0.200 4.669 4.470 -0.001 0.000 0.294 1392 S C 1.392 176.006 174.600 0.024 0.000 1.115 1392 S CA -0.380 57.833 58.200 0.021 0.000 1.071 1392 S CB 0.942 64.147 63.200 0.009 0.000 0.967 1392 S HN -0.058 nan 8.310 nan 0.000 0.488 1393 V N 7.511 127.455 119.914 0.048 0.000 2.515 1393 V HA -0.008 4.111 4.120 -0.001 0.000 0.250 1393 V C -1.070 175.053 176.094 0.048 0.000 1.058 1393 V CA 1.349 63.693 62.300 0.074 0.000 1.064 1393 V CB -1.053 30.845 31.823 0.124 0.000 0.675 1393 V HN 0.682 nan 8.190 nan 0.000 0.461 1394 P HA 0.200 nan 4.420 nan 0.000 0.238 1394 P C 0.434 177.570 177.300 -0.274 0.000 1.183 1394 P CA 0.492 63.397 63.100 -0.326 0.000 0.813 1394 P CB 0.049 31.516 31.700 -0.388 0.000 0.944 1395 A N 2.261 125.008 122.820 -0.121 0.000 2.550 1395 A HA 0.174 4.493 4.320 -0.001 0.000 0.263 1395 A C -1.936 175.600 177.584 -0.080 0.000 1.065 1395 A CA -0.383 51.602 52.037 -0.087 0.000 0.786 1395 A CB -1.303 17.672 19.000 -0.040 0.000 0.985 1395 A HN 0.130 nan 8.150 nan 0.000 0.518 1396 P HA 0.432 nan 4.420 nan 0.000 0.271 1396 P C 0.528 177.784 177.300 -0.073 0.000 1.216 1396 P CA 0.310 63.350 63.100 -0.101 0.000 0.771 1396 P CB 1.342 32.902 31.700 -0.232 0.000 0.864 1397 G N 1.282 110.091 108.800 0.015 0.000 3.105 1397 G HA2 0.352 4.311 3.960 -0.001 0.000 0.277 1397 G HA3 0.352 4.311 3.960 -0.001 0.000 0.277 1397 G C -1.036 173.938 174.900 0.123 0.000 1.375 1397 G CA -0.615 44.507 45.100 0.038 0.000 0.962 1397 G HN 0.391 nan 8.290 nan 0.000 0.541 1398 Q N 0.248 120.102 119.800 0.090 0.000 2.735 1398 Q HA 0.257 4.597 4.340 -0.001 0.000 0.380 1398 Q C 1.508 177.556 176.000 0.081 0.000 1.060 1398 Q CA -0.121 55.748 55.803 0.109 0.000 1.025 1398 Q CB 0.954 29.723 28.738 0.051 0.000 1.350 1398 Q HN 0.646 nan 8.270 nan 0.000 0.424 1399 G N -0.058 108.800 108.800 0.097 0.000 2.394 1399 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.214 1399 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.214 1399 G C 1.282 176.182 174.900 0.000 0.000 1.176 1399 G CA 0.434 45.554 45.100 0.033 0.000 0.786 1399 G HN 0.357 nan 8.290 nan 0.000 0.533 1400 V N 1.419 121.328 119.914 -0.008 0.000 3.026 1400 V HA -0.050 4.070 4.120 -0.001 0.000 0.265 1400 V C 2.541 178.608 176.094 -0.045 0.000 1.121 1400 V CA 0.671 62.924 62.300 -0.079 0.000 1.142 1400 V CB -0.509 31.195 31.823 -0.199 0.000 0.730 1400 V HN 0.338 nan 8.190 nan 0.000 0.503 1401 L N 1.588 122.805 121.223 -0.009 0.000 2.187 1401 L HA -0.150 4.189 4.340 -0.001 0.000 0.213 1401 L C 2.507 179.348 176.870 -0.048 0.000 1.100 1401 L CA 2.274 57.098 54.840 -0.027 0.000 0.765 1401 L CB -0.516 41.528 42.059 -0.026 0.000 0.904 1401 L HN 0.679 nan 8.230 nan 0.000 0.437 1402 T N -5.016 109.513 114.554 -0.043 0.000 3.215 1402 T HA -0.067 4.282 4.350 -0.001 0.000 0.254 1402 T C 1.464 176.143 174.700 -0.035 0.000 1.149 1402 T CA 0.724 62.800 62.100 -0.041 0.000 1.042 1402 T CB -0.668 68.182 68.868 -0.030 0.000 0.966 1402 T HN 0.482 nan 8.240 nan 0.000 0.534 1403 T N -1.887 112.638 114.554 -0.049 0.000 3.148 1403 T HA 0.484 4.834 4.350 -0.001 0.000 0.253 1403 T C 1.374 176.036 174.700 -0.063 0.000 1.134 1403 T CA 0.186 62.252 62.100 -0.057 0.000 1.051 1403 T CB -0.173 68.644 68.868 -0.084 0.000 0.959 1403 T HN 0.459 nan 8.240 nan 0.000 0.525 1404 A N 1.815 124.610 122.820 -0.041 0.000 2.606 1404 A HA 0.391 4.710 4.320 -0.001 0.000 0.290 1404 A C 0.814 178.427 177.584 0.048 0.000 1.174 1404 A CA -0.895 51.137 52.037 -0.009 0.000 0.958 1404 A CB -0.103 18.896 19.000 -0.002 0.000 1.194 1404 A HN 0.643 nan 8.150 nan 0.000 0.526 1405 R N 0.884 121.392 120.500 0.013 0.000 2.401 1405 R HA 0.487 4.826 4.340 -0.001 0.000 0.299 1405 R C -0.466 175.879 176.300 0.074 0.000 1.064 1405 R CA 0.108 56.225 56.100 0.028 0.000 1.000 1405 R CB 0.445 30.745 30.300 0.000 0.000 0.973 1405 R HN 0.348 nan 8.270 nan 0.000 0.438 1406 E N 2.841 123.126 120.200 0.142 0.000 2.451 1406 E HA 0.124 4.473 4.350 -0.001 0.000 0.295 1406 E C -1.779 174.896 176.600 0.126 0.000 0.966 1406 E CA -0.761 55.704 56.400 0.107 0.000 0.808 1406 E CB 1.806 31.542 29.700 0.060 0.000 1.242 1406 E HN 0.680 nan 8.360 nan 0.000 0.412 1407 K N 3.281 123.725 120.400 0.073 0.000 2.484 1407 K HA 0.279 4.599 4.320 -0.001 0.000 0.226 1407 K C -0.970 175.650 176.600 0.034 0.000 1.031 1407 K CA -0.422 55.899 56.287 0.058 0.000 1.026 1407 K CB 0.845 33.375 32.500 0.050 0.000 1.412 1407 K HN 0.537 nan 8.250 nan 0.000 0.492 1408 S N 1.032 116.739 115.700 0.012 0.000 2.565 1408 S HA 0.380 4.849 4.470 -0.001 0.000 0.274 1408 S C 0.952 175.552 174.600 0.001 0.000 1.309 1408 S CA -0.839 57.366 58.200 0.007 0.000 1.043 1408 S CB 1.683 64.875 63.200 -0.013 0.000 0.939 1408 S HN 0.565 nan 8.310 nan 0.000 0.504 1409 G N 1.744 110.555 108.800 0.019 0.000 2.913 1409 G HA2 0.031 3.990 3.960 -0.001 0.000 0.145 1409 G HA3 0.031 3.990 3.960 -0.001 0.000 0.145 1409 G C 0.793 175.671 174.900 -0.036 0.000 1.801 1409 G CA -0.221 44.889 45.100 0.017 0.000 1.033 1409 G HN 0.778 nan 8.290 nan 0.000 0.495 1410 N N -0.897 117.768 118.700 -0.060 0.000 2.415 1410 N HA 0.106 4.846 4.740 -0.001 0.000 0.174 1410 N C -0.480 174.741 175.510 -0.482 0.000 1.048 1410 N CA 0.400 53.272 53.050 -0.297 0.000 0.895 1410 N CB 0.612 38.859 38.487 -0.400 0.000 1.036 1410 N HN 0.202 nan 8.380 nan 0.000 0.449 1411 F N 1.629 121.571 119.950 -0.013 0.000 2.482 1411 F HA 0.433 4.959 4.527 -0.001 0.000 0.331 1411 F C -2.040 173.746 175.800 -0.023 0.000 1.115 1411 F CA -2.292 55.697 58.000 -0.019 0.000 0.955 1411 F CB 1.050 40.036 39.000 -0.022 0.000 1.136 1411 F HN -0.236 nan 8.300 nan 0.000 0.452 1412 P HA 0.022 nan 4.420 nan 0.000 0.266 1412 P C -0.278 177.053 177.300 0.053 0.000 1.195 1412 P CA -0.185 62.957 63.100 0.069 0.000 0.768 1412 P CB 0.684 32.415 31.700 0.052 0.000 0.838 1413 S N 3.756 119.477 115.700 0.035 0.000 2.546 1413 S HA 0.043 4.513 4.470 -0.001 0.000 0.290 1413 S C -1.234 173.317 174.600 -0.082 0.000 1.290 1413 S CA -0.877 57.321 58.200 -0.005 0.000 1.069 1413 S CB -0.192 63.038 63.200 0.051 0.000 0.846 1413 S HN 0.245 nan 8.310 nan 0.000 0.495 1414 P HA -0.138 nan 4.420 nan 0.000 0.217 1414 P C 1.206 178.287 177.300 -0.365 0.000 1.151 1414 P CA 1.281 64.068 63.100 -0.522 0.000 0.849 1414 P CB -0.029 30.912 31.700 -1.265 0.000 0.787 1415 L N -1.997 119.117 121.223 -0.182 0.000 2.265 1415 L HA -0.134 4.205 4.340 -0.001 0.000 0.215 1415 L C 2.220 179.064 176.870 -0.044 0.000 1.117 1415 L CA 0.940 55.779 54.840 -0.001 0.000 0.782 1415 L CB -0.857 41.316 42.059 0.191 0.000 0.914 1415 L HN -0.026 nan 8.230 nan 0.000 0.441 1416 L N -1.142 120.111 121.223 0.051 0.000 2.291 1416 L HA -0.057 4.282 4.340 -0.001 0.000 0.214 1416 L C 0.918 177.808 176.870 0.033 0.000 1.120 1416 L CA 0.342 55.235 54.840 0.089 0.000 0.799 1416 L CB -0.336 41.778 42.059 0.091 0.000 0.925 1416 L HN 0.168 nan 8.230 nan 0.000 0.446 1417 D N 0.781 121.184 120.400 0.006 0.000 2.325 1417 D HA 0.020 4.659 4.640 -0.001 0.000 0.251 1417 D C 1.041 177.348 176.300 0.012 0.000 1.196 1417 D CA 0.078 54.089 54.000 0.019 0.000 0.866 1417 D CB 1.416 42.231 40.800 0.026 0.000 1.101 1417 D HN 0.099 nan 8.370 nan 0.000 0.476 1418 I N 4.096 124.664 120.570 -0.004 0.000 2.454 1418 I HA -0.255 3.914 4.170 -0.001 0.000 0.254 1418 I C 1.670 177.763 176.117 -0.040 0.000 1.156 1418 I CA 1.022 62.301 61.300 -0.036 0.000 1.433 1418 I CB 0.273 38.264 38.000 -0.015 0.000 1.082 1418 I HN 0.317 nan 8.210 nan 0.000 0.432 1419 K N -0.063 120.330 120.400 -0.011 0.000 2.057 1419 K HA -0.243 4.076 4.320 -0.001 0.000 0.206 1419 K C 2.097 178.673 176.600 -0.039 0.000 1.050 1419 K CA 1.845 58.117 56.287 -0.026 0.000 0.935 1419 K CB -0.571 31.926 32.500 -0.005 0.000 0.715 1419 K HN 0.367 nan 8.250 nan 0.000 0.439 1420 Y N 2.325 122.558 120.300 -0.111 0.000 2.114 1420 Y HA -0.264 4.285 4.550 -0.001 0.000 0.282 1420 Y C 2.104 177.876 175.900 -0.214 0.000 1.165 1420 Y CA 1.574 59.595 58.100 -0.131 0.000 1.148 1420 Y CB 0.041 38.445 38.460 -0.093 0.000 0.972 1420 Y HN -0.070 nan 8.280 nan 0.000 0.504 1421 R N -0.292 120.117 120.500 -0.153 0.000 2.092 1421 R HA -0.132 4.207 4.340 -0.001 0.000 0.231 1421 R C 2.429 178.479 176.300 -0.417 0.000 1.119 1421 R CA 1.010 56.903 56.100 -0.344 0.000 0.970 1421 R CB -0.303 29.882 30.300 -0.192 0.000 0.864 1421 R HN 0.264 nan 8.270 nan 0.000 0.440 1422 R N 1.098 121.444 120.500 -0.256 0.000 2.097 1422 R HA -0.135 4.205 4.340 -0.001 0.000 0.236 1422 R C 2.230 178.367 176.300 -0.272 0.000 1.135 1422 R CA 1.618 57.592 56.100 -0.210 0.000 0.934 1422 R CB -0.393 29.830 30.300 -0.129 0.000 0.846 1422 R HN 0.255 nan 8.270 nan 0.000 0.431 1423 R N 0.256 120.577 120.500 -0.300 0.000 2.113 1423 R HA -0.176 4.163 4.340 -0.001 0.000 0.231 1423 R C 2.339 178.391 176.300 -0.412 0.000 1.129 1423 R CA 1.815 57.730 56.100 -0.309 0.000 0.915 1423 R CB -0.392 29.716 30.300 -0.320 0.000 0.837 1423 R HN 0.315 nan 8.270 nan 0.000 0.430 1424 Q N 0.549 119.950 119.800 -0.665 0.000 2.152 1424 Q HA -0.211 4.129 4.340 -0.001 0.000 0.206 1424 Q C 2.199 177.749 176.000 -0.749 0.000 0.985 1424 Q CA 1.260 56.566 55.803 -0.829 0.000 0.863 1424 Q CB -0.453 27.431 28.738 -1.423 0.000 0.904 1424 Q HN 0.273 nan 8.270 nan 0.000 0.422 1425 L N 1.177 121.981 121.223 -0.699 0.000 1.948 1425 L HA -0.163 4.176 4.340 -0.001 0.000 0.212 1425 L C 1.947 178.709 176.870 -0.181 0.000 1.074 1425 L CA 1.978 56.611 54.840 -0.345 0.000 0.753 1425 L CB -0.517 41.408 42.059 -0.222 0.000 0.888 1425 L HN 0.052 nan 8.230 nan 0.000 0.432 1426 E N -0.458 119.642 120.200 -0.166 0.000 2.409 1426 E HA -0.164 4.186 4.350 -0.001 0.000 0.198 1426 E C 2.007 178.549 176.600 -0.097 0.000 1.024 1426 E CA 0.335 56.675 56.400 -0.101 0.000 0.861 1426 E CB -0.139 29.510 29.700 -0.084 0.000 0.788 1426 E HN 0.409 nan 8.360 nan 0.000 0.521 1427 L N 0.784 121.920 121.223 -0.145 0.000 1.976 1427 L HA -0.156 4.183 4.340 -0.001 0.000 0.209 1427 L C 1.942 178.772 176.870 -0.066 0.000 1.071 1427 L CA 1.795 56.566 54.840 -0.115 0.000 0.746 1427 L CB -0.396 41.562 42.059 -0.168 0.000 0.890 1427 L HN 0.125 nan 8.230 nan 0.000 0.432 1428 R N -0.140 120.322 120.500 -0.063 0.000 2.189 1428 R HA -0.083 4.256 4.340 -0.001 0.000 0.223 1428 R C 2.142 178.437 176.300 -0.008 0.000 1.092 1428 R CA 0.551 56.645 56.100 -0.011 0.000 0.989 1428 R CB -0.254 30.072 30.300 0.044 0.000 0.876 1428 R HN 0.499 nan 8.270 nan 0.000 0.457 1429 R N -0.041 120.447 120.500 -0.019 0.000 2.090 1429 R HA -0.049 4.291 4.340 -0.001 0.000 0.228 1429 R C 2.144 178.452 176.300 0.013 0.000 1.110 1429 R CA 0.760 56.857 56.100 -0.004 0.000 0.973 1429 R CB 0.012 30.304 30.300 -0.013 0.000 0.869 1429 R HN 0.192 nan 8.270 nan 0.000 0.440 1430 Q N 0.866 120.668 119.800 0.004 0.000 1.990 1430 Q HA -0.175 4.164 4.340 -0.001 0.000 0.200 1430 Q C 2.015 178.040 176.000 0.041 0.000 0.980 1430 Q CA 1.384 57.199 55.803 0.019 0.000 0.832 1430 Q CB -0.223 28.516 28.738 0.002 0.000 0.897 1430 Q HN 0.371 nan 8.270 nan 0.000 0.427 1431 Q N -0.038 119.780 119.800 0.029 0.000 2.268 1431 Q HA -0.158 4.181 4.340 -0.001 0.000 0.210 1431 Q C 1.978 178.027 176.000 0.081 0.000 0.988 1431 Q CA 0.899 56.730 55.803 0.048 0.000 0.883 1431 Q CB -0.022 28.731 28.738 0.024 0.000 0.911 1431 Q HN 0.365 nan 8.270 nan 0.000 0.430 1432 I N -0.400 120.208 120.570 0.063 0.000 2.339 1432 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 1432 I C 2.317 178.544 176.117 0.184 0.000 1.096 1432 I CA 0.710 62.058 61.300 0.081 0.000 1.408 1432 I CB -0.118 37.888 38.000 0.010 0.000 1.092 1432 I HN 0.136 nan 8.210 nan 0.000 0.423 1433 K N 0.893 121.374 120.400 0.136 0.000 2.209 1433 K HA -0.244 4.076 4.320 -0.001 0.000 0.204 1433 K C 2.107 178.810 176.600 0.172 0.000 1.048 1433 K CA 1.582 57.960 56.287 0.151 0.000 0.940 1433 K CB 0.051 32.609 32.500 0.097 0.000 0.729 1433 K HN 0.489 nan 8.250 nan 0.000 0.451 1434 Q N -1.064 118.832 119.800 0.161 0.000 2.137 1434 Q HA -0.176 4.163 4.340 -0.001 0.000 0.198 1434 Q C 1.988 178.092 176.000 0.173 0.000 0.960 1434 Q CA 0.997 56.883 55.803 0.138 0.000 0.847 1434 Q CB -0.646 28.155 28.738 0.105 0.000 0.915 1434 Q HN 0.463 nan 8.270 nan 0.000 0.448 1435 W N 2.509 123.828 121.300 0.032 0.000 2.358 1435 W HA -0.158 4.502 4.660 -0.001 0.000 0.303 1435 W C 2.218 178.760 176.519 0.037 0.000 1.208 1435 W CA 1.949 59.309 57.345 0.023 0.000 1.274 1435 W CB 0.043 29.506 29.460 0.005 0.000 1.138 1435 W HN 0.093 nan 8.180 nan 0.000 0.515 1436 K N 0.135 120.792 120.400 0.429 0.000 2.113 1436 K HA -0.287 4.032 4.320 -0.001 0.000 0.208 1436 K C 1.736 178.375 176.600 0.066 0.000 1.047 1436 K CA 2.148 58.591 56.287 0.260 0.000 0.928 1436 K CB -0.159 32.559 32.500 0.363 0.000 0.716 1436 K HN 0.093 nan 8.250 nan 0.000 0.446 1437 E N -0.017 120.256 120.200 0.121 0.000 2.042 1437 E HA -0.067 4.283 4.350 -0.001 0.000 0.189 1437 E C 1.905 178.516 176.600 0.017 0.000 0.974 1437 E CA 0.981 57.474 56.400 0.154 0.000 0.806 1437 E CB -0.395 29.363 29.700 0.096 0.000 0.769 1437 E HN 0.216 nan 8.360 nan 0.000 0.451 1438 S N 0.262 115.914 115.700 -0.081 0.000 2.407 1438 S HA -0.289 4.180 4.470 -0.001 0.000 0.235 1438 S C 1.917 176.379 174.600 -0.231 0.000 1.036 1438 S CA 1.909 60.030 58.200 -0.132 0.000 1.013 1438 S CB -0.153 62.962 63.200 -0.142 0.000 0.820 1438 S HN 0.204 nan 8.310 nan 0.000 0.476 1439 E N -0.666 119.231 120.200 -0.505 0.000 2.112 1439 E HA -0.002 4.347 4.350 -0.001 0.000 0.190 1439 E C 1.602 178.042 176.600 -0.267 0.000 0.979 1439 E CA 1.008 57.058 56.400 -0.583 0.000 0.814 1439 E CB -0.447 28.524 29.700 -1.216 0.000 0.762 1439 E HN 0.688 nan 8.360 nan 0.000 0.460 1440 Y N 0.163 120.352 120.300 -0.185 0.000 2.165 1440 Y HA -0.167 4.383 4.550 -0.001 0.000 0.286 1440 Y C 2.108 177.987 175.900 -0.035 0.000 1.155 1440 Y CA 1.454 59.509 58.100 -0.075 0.000 1.164 1440 Y CB -0.520 37.907 38.460 -0.054 0.000 0.978 1440 Y HN 0.127 nan 8.280 nan 0.000 0.513 1441 L N -1.199 120.101 121.223 0.128 0.000 1.955 1441 L HA -0.306 4.034 4.340 -0.001 0.000 0.213 1441 L C 2.290 179.197 176.870 0.061 0.000 1.072 1441 L CA 1.896 56.778 54.840 0.070 0.000 0.755 1441 L CB -0.937 41.148 42.059 0.043 0.000 0.888 1441 L HN 0.292 nan 8.230 nan 0.000 0.432 1442 Y N -0.575 119.685 120.300 -0.067 0.000 2.181 1442 Y HA -0.327 4.223 4.550 -0.001 0.000 0.284 1442 Y C 2.252 178.121 175.900 -0.052 0.000 1.179 1442 Y CA 1.835 59.891 58.100 -0.073 0.000 1.179 1442 Y CB -0.072 38.319 38.460 -0.115 0.000 0.973 1442 Y HN 0.191 nan 8.280 nan 0.000 0.519 1443 L N -0.657 120.645 121.223 0.130 0.000 2.109 1443 L HA -0.197 4.142 4.340 -0.001 0.000 0.207 1443 L C 2.416 179.310 176.870 0.039 0.000 1.086 1443 L CA 1.310 56.208 54.840 0.096 0.000 0.760 1443 L CB -0.522 41.590 42.059 0.088 0.000 0.910 1443 L HN 0.236 nan 8.230 nan 0.000 0.437 1444 Q N 0.681 120.501 119.800 0.034 0.000 2.045 1444 Q HA -0.243 4.096 4.340 -0.001 0.000 0.206 1444 Q C 1.934 177.899 176.000 -0.057 0.000 0.991 1444 Q CA 1.988 57.794 55.803 0.005 0.000 0.851 1444 Q CB -0.019 28.726 28.738 0.012 0.000 0.911 1444 Q HN 0.465 nan 8.270 nan 0.000 0.418 1445 E N -0.065 120.070 120.200 -0.109 0.000 2.007 1445 E HA -0.235 4.115 4.350 -0.001 0.000 0.194 1445 E C 1.937 178.422 176.600 -0.191 0.000 0.999 1445 E CA 1.187 57.487 56.400 -0.167 0.000 0.811 1445 E CB -0.339 29.212 29.700 -0.248 0.000 0.762 1445 E HN 0.484 nan 8.360 nan 0.000 0.450 1446 E N 1.061 121.114 120.200 -0.244 0.000 2.273 1446 E HA -0.197 4.152 4.350 -0.001 0.000 0.198 1446 E C 1.986 178.476 176.600 -0.184 0.000 1.002 1446 E CA 0.654 56.929 56.400 -0.209 0.000 0.828 1446 E CB 0.150 29.757 29.700 -0.156 0.000 0.747 1446 E HN 0.053 nan 8.360 nan 0.000 0.491 1447 V N 1.000 120.830 119.914 -0.141 0.000 2.223 1447 V HA -0.252 3.867 4.120 -0.001 0.000 0.244 1447 V C 2.332 178.309 176.094 -0.194 0.000 1.045 1447 V CA 2.082 64.284 62.300 -0.163 0.000 1.000 1447 V CB -0.652 31.131 31.823 -0.065 0.000 0.635 1447 V HN 0.454 nan 8.190 nan 0.000 0.445 1448 A N -0.769 121.968 122.820 -0.139 0.000 2.206 1448 A HA 0.258 4.577 4.320 -0.001 0.000 0.211 1448 A C 2.148 179.648 177.584 -0.141 0.000 1.158 1448 A CA 1.213 53.174 52.037 -0.126 0.000 0.761 1448 A CB -0.436 18.511 19.000 -0.088 0.000 0.801 1448 A HN 0.562 nan 8.150 nan 0.000 0.473 1449 A N -0.224 122.497 122.820 -0.164 0.000 2.119 1449 A HA 0.197 4.517 4.320 -0.001 0.000 0.216 1449 A C 1.593 179.070 177.584 -0.180 0.000 1.152 1449 A CA 1.066 53.007 52.037 -0.160 0.000 0.708 1449 A CB -0.362 18.535 19.000 -0.171 0.000 0.805 1449 A HN 0.508 nan 8.150 nan 0.000 0.460 1450 I N -1.942 118.480 120.570 -0.246 0.000 4.082 1450 I HA 0.084 4.253 4.170 -0.001 0.000 0.337 1450 I C 1.604 177.543 176.117 -0.296 0.000 1.352 1450 I CA 0.096 61.213 61.300 -0.305 0.000 1.097 1450 I CB 0.239 37.953 38.000 -0.477 0.000 1.048 1450 I HN 0.079 nan 8.210 nan 0.000 0.393 1451 K N 1.223 121.488 120.400 -0.225 0.000 2.167 1451 K HA -0.034 4.285 4.320 -0.001 0.000 0.203 1451 K C 2.282 178.820 176.600 -0.103 0.000 1.052 1451 K CA 1.538 57.735 56.287 -0.150 0.000 0.956 1451 K CB 0.003 32.433 32.500 -0.116 0.000 0.735 1451 K HN 0.337 nan 8.250 nan 0.000 0.451 1452 S N 0.722 116.360 115.700 -0.103 0.000 2.461 1452 S HA -0.090 4.380 4.470 -0.001 0.000 0.228 1452 S C 1.726 176.284 174.600 -0.069 0.000 1.005 1452 S CA 0.577 58.732 58.200 -0.076 0.000 0.942 1452 S CB 0.005 63.162 63.200 -0.073 0.000 0.776 1452 S HN 0.267 nan 8.310 nan 0.000 0.514 1453 Q N 0.181 119.928 119.800 -0.087 0.000 2.396 1453 Q HA 0.260 4.600 4.340 -0.001 0.000 0.209 1453 Q C 0.739 176.705 176.000 -0.057 0.000 0.906 1453 Q CA -0.198 55.563 55.803 -0.071 0.000 0.927 1453 Q CB 0.219 28.907 28.738 -0.083 0.000 1.069 1453 Q HN 0.394 nan 8.270 nan 0.000 0.523 1454 R N 2.567 123.028 120.500 -0.066 0.000 2.421 1454 R HA 0.059 4.398 4.340 -0.001 0.000 0.305 1454 R C -0.441 175.857 176.300 -0.004 0.000 1.039 1454 R CA 0.033 56.118 56.100 -0.026 0.000 1.003 1454 R CB 0.463 30.753 30.300 -0.017 0.000 0.959 1454 R HN 0.120 nan 8.270 nan 0.000 0.427 1455 S N 2.928 118.634 115.700 0.010 0.000 2.624 1455 S HA 0.041 4.510 4.470 -0.001 0.000 0.263 1455 S C 0.670 175.283 174.600 0.021 0.000 1.287 1455 S CA -0.699 57.508 58.200 0.011 0.000 0.990 1455 S CB 1.076 64.282 63.200 0.011 0.000 0.950 1455 S HN 0.664 nan 8.310 nan 0.000 0.561 1456 E N 0.444 120.653 120.200 0.014 0.000 2.435 1456 E HA -0.036 4.313 4.350 -0.001 0.000 0.195 1456 E C 1.114 177.724 176.600 0.017 0.000 1.029 1456 E CA 0.822 57.231 56.400 0.016 0.000 0.865 1456 E CB -0.599 29.107 29.700 0.009 0.000 0.833 1456 E HN 0.888 nan 8.360 nan 0.000 0.510 1457 E N 0.858 121.067 120.200 0.016 0.000 2.385 1457 E HA 0.028 4.377 4.350 -0.001 0.000 0.194 1457 E C -0.086 176.526 176.600 0.020 0.000 1.013 1457 E CA 0.223 56.632 56.400 0.014 0.000 0.866 1457 E CB -0.022 29.685 29.700 0.011 0.000 0.832 1457 E HN 0.092 nan 8.360 nan 0.000 0.500 1458 D N 1.688 122.109 120.400 0.034 0.000 2.372 1458 D HA 0.184 4.824 4.640 -0.001 0.000 0.243 1458 D C 0.467 176.795 176.300 0.046 0.000 1.121 1458 D CA 0.137 54.169 54.000 0.054 0.000 0.898 1458 D CB 0.850 41.706 40.800 0.093 0.000 1.202 1458 D HN 0.176 nan 8.370 nan 0.000 0.428 1459 G N 1.614 110.423 108.800 0.015 0.000 2.305 1459 G HA2 0.203 4.162 3.960 -0.001 0.000 0.243 1459 G HA3 0.203 4.162 3.960 -0.001 0.000 0.243 1459 G C -2.186 172.705 174.900 -0.015 0.000 1.288 1459 G CA -0.794 44.281 45.100 -0.042 0.000 0.901 1459 G HN 0.261 nan 8.290 nan 0.000 0.516 1460 P HA 0.012 nan 4.420 nan 0.000 0.258 1460 P C -0.426 176.876 177.300 0.004 0.000 1.187 1460 P CA 0.198 63.319 63.100 0.035 0.000 0.767 1460 P CB 0.150 31.856 31.700 0.011 0.000 0.770 1461 F N 3.033 122.973 119.950 -0.018 0.000 2.434 1461 F HA 0.051 4.577 4.527 -0.001 0.000 0.358 1461 F C 0.963 176.767 175.800 0.006 0.000 1.136 1461 F CA 0.089 58.080 58.000 -0.015 0.000 1.157 1461 F CB 0.109 39.058 39.000 -0.084 0.000 1.167 1461 F HN 0.214 nan 8.300 nan 0.000 0.539 1462 D N 4.129 124.595 120.400 0.110 0.000 2.359 1462 D HA -0.093 4.546 4.640 -0.001 0.000 0.273 1462 D C 1.418 177.827 176.300 0.181 0.000 1.362 1462 D CA 0.462 54.528 54.000 0.111 0.000 1.010 1462 D CB 0.354 41.194 40.800 0.067 0.000 1.090 1462 D HN 0.674 nan 8.370 nan 0.000 0.521 1463 E N 1.363 121.652 120.200 0.148 0.000 2.118 1463 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 1463 E C 1.077 177.768 176.600 0.151 0.000 0.992 1463 E CA 1.175 57.660 56.400 0.142 0.000 0.804 1463 E CB 0.383 30.130 29.700 0.079 0.000 0.741 1463 E HN 0.315 nan 8.360 nan 0.000 0.458 1464 T N 0.497 115.118 114.554 0.112 0.000 2.737 1464 T HA -0.122 4.227 4.350 -0.001 0.000 0.265 1464 T C 1.817 176.581 174.700 0.108 0.000 1.038 1464 T CA 1.229 63.386 62.100 0.095 0.000 1.144 1464 T CB -0.322 68.585 68.868 0.066 0.000 0.866 1464 T HN 0.333 nan 8.240 nan 0.000 0.434 1465 A N 0.841 123.729 122.820 0.113 0.000 1.828 1465 A HA -0.116 4.203 4.320 -0.001 0.000 0.215 1465 A C 2.101 179.770 177.584 0.142 0.000 1.203 1465 A CA 1.767 53.867 52.037 0.105 0.000 0.614 1465 A CB -1.376 17.676 19.000 0.087 0.000 0.844 1465 A HN 0.571 nan 8.150 nan 0.000 0.445 1466 Y N 0.045 120.403 120.300 0.096 0.000 2.151 1466 Y HA -0.185 4.365 4.550 -0.001 0.000 0.284 1466 Y C 2.065 178.017 175.900 0.086 0.000 1.166 1466 Y CA 1.990 60.164 58.100 0.123 0.000 1.163 1466 Y CB -0.134 38.463 38.460 0.228 0.000 0.974 1466 Y HN 0.230 nan 8.280 nan 0.000 0.511 1467 L N -0.135 121.274 121.223 0.309 0.000 2.240 1467 L HA -0.118 4.221 4.340 -0.001 0.000 0.211 1467 L C 2.647 179.585 176.870 0.114 0.000 1.106 1467 L CA 0.945 55.914 54.840 0.215 0.000 0.793 1467 L CB -0.388 41.786 42.059 0.191 0.000 0.927 1467 L HN 0.240 nan 8.230 nan 0.000 0.446 1468 R N 0.707 121.262 120.500 0.092 0.000 2.082 1468 R HA -0.202 4.137 4.340 -0.001 0.000 0.228 1468 R C 1.943 178.266 176.300 0.038 0.000 1.140 1468 R CA 1.866 58.006 56.100 0.067 0.000 0.920 1468 R CB -0.315 30.020 30.300 0.059 0.000 0.828 1468 R HN 0.287 nan 8.270 nan 0.000 0.430 1469 E N -0.320 119.880 120.200 -0.000 0.000 2.130 1469 E HA -0.217 4.132 4.350 -0.001 0.000 0.196 1469 E C 2.214 178.795 176.600 -0.032 0.000 0.998 1469 E CA 1.053 57.438 56.400 -0.024 0.000 0.806 1469 E CB 0.007 29.663 29.700 -0.073 0.000 0.738 1469 E HN 0.250 nan 8.360 nan 0.000 0.459 1470 R N -0.094 120.349 120.500 -0.096 0.000 2.090 1470 R HA -0.056 4.283 4.340 -0.001 0.000 0.228 1470 R C 2.590 178.877 176.300 -0.023 0.000 1.110 1470 R CA 1.676 57.705 56.100 -0.119 0.000 0.973 1470 R CB -1.052 29.151 30.300 -0.161 0.000 0.869 1470 R HN 0.378 nan 8.270 nan 0.000 0.440 1471 T N -1.366 113.209 114.554 0.036 0.000 2.770 1471 T HA -0.046 4.303 4.350 -0.001 0.000 0.263 1471 T C 1.664 176.411 174.700 0.079 0.000 1.039 1471 T CA 0.901 63.043 62.100 0.069 0.000 1.142 1471 T CB -0.204 68.784 68.868 0.200 0.000 0.868 1471 T HN 0.252 nan 8.240 nan 0.000 0.435 1472 E N 0.558 120.812 120.200 0.090 0.000 2.097 1472 E HA -0.270 4.079 4.350 -0.001 0.000 0.196 1472 E C 2.257 178.909 176.600 0.087 0.000 1.000 1472 E CA 1.469 57.919 56.400 0.083 0.000 0.804 1472 E CB -0.367 29.372 29.700 0.064 0.000 0.740 1472 E HN 0.615 nan 8.360 nan 0.000 0.454 1473 H N 1.303 120.365 119.070 -0.012 0.000 2.321 1473 H HA -0.087 4.468 4.556 -0.001 0.000 0.300 1473 H C 2.004 177.337 175.328 0.008 0.000 1.087 1473 H CA 1.478 57.520 56.048 -0.011 0.000 1.319 1473 H CB -0.186 29.557 29.762 -0.031 0.000 1.379 1473 H HN 0.157 nan 8.280 nan 0.000 0.501 1474 I N 0.824 121.554 120.570 0.268 0.000 2.335 1474 I HA -0.223 3.947 4.170 -0.001 0.000 0.251 1474 I C 2.549 178.742 176.117 0.128 0.000 1.129 1474 I CA 0.993 62.393 61.300 0.167 0.000 1.402 1474 I CB -0.214 37.624 38.000 -0.270 0.000 1.069 1474 I HN 0.235 nan 8.210 nan 0.000 0.424 1475 E N 1.156 121.403 120.200 0.078 0.000 2.007 1475 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 1475 E C 2.247 178.875 176.600 0.047 0.000 0.999 1475 E CA 1.242 57.698 56.400 0.092 0.000 0.811 1475 E CB -0.361 29.397 29.700 0.096 0.000 0.762 1475 E HN 0.429 nan 8.360 nan 0.000 0.450 1476 R N 0.569 121.064 120.500 -0.008 0.000 2.122 1476 R HA -0.227 4.112 4.340 -0.001 0.000 0.236 1476 R C 2.396 178.639 176.300 -0.096 0.000 1.129 1476 R CA 1.925 57.986 56.100 -0.066 0.000 0.925 1476 R CB -0.450 29.774 30.300 -0.127 0.000 0.850 1476 R HN 0.097 nan 8.270 nan 0.000 0.431 1477 E N 0.403 120.509 120.200 -0.157 0.000 2.171 1477 E HA -0.202 4.147 4.350 -0.001 0.000 0.197 1477 E C 1.693 178.213 176.600 -0.133 0.000 0.997 1477 E CA 1.716 58.021 56.400 -0.158 0.000 0.810 1477 E CB -0.163 29.486 29.700 -0.084 0.000 0.738 1477 E HN 0.410 nan 8.360 nan 0.000 0.467 1478 A N 0.433 123.253 122.820 -0.001 0.000 1.841 1478 A HA -0.133 4.186 4.320 -0.001 0.000 0.214 1478 A C 2.251 179.811 177.584 -0.040 0.000 1.195 1478 A CA 1.597 53.635 52.037 0.002 0.000 0.611 1478 A CB -0.526 18.583 19.000 0.181 0.000 0.835 1478 A HN 0.208 nan 8.150 nan 0.000 0.443 1479 R N -0.949 119.546 120.500 -0.009 0.000 2.096 1479 R HA -0.176 4.163 4.340 -0.001 0.000 0.240 1479 R C 2.574 178.847 176.300 -0.046 0.000 1.139 1479 R CA 1.870 57.961 56.100 -0.014 0.000 0.952 1479 R CB -0.326 29.973 30.300 -0.002 0.000 0.854 1479 R HN 0.529 nan 8.270 nan 0.000 0.436 1480 R N 0.396 120.851 120.500 -0.075 0.000 2.082 1480 R HA -0.229 4.110 4.340 -0.001 0.000 0.234 1480 R C 2.293 178.528 176.300 -0.108 0.000 1.136 1480 R CA 1.982 58.027 56.100 -0.092 0.000 0.935 1480 R CB -0.195 30.034 30.300 -0.119 0.000 0.842 1480 R HN 0.097 nan 8.270 nan 0.000 0.430 1481 Q N 0.559 120.265 119.800 -0.156 0.000 2.197 1481 Q HA -0.179 4.160 4.340 -0.001 0.000 0.207 1481 Q C 1.695 177.625 176.000 -0.117 0.000 0.984 1481 Q CA 1.670 57.361 55.803 -0.186 0.000 0.869 1481 Q CB -0.016 28.531 28.738 -0.319 0.000 0.906 1481 Q HN 0.345 nan 8.270 nan 0.000 0.426 1482 E N -0.876 119.276 120.200 -0.079 0.000 2.001 1482 E HA -0.208 4.141 4.350 -0.001 0.000 0.195 1482 E C 1.833 178.417 176.600 -0.027 0.000 1.002 1482 E CA 1.052 57.430 56.400 -0.037 0.000 0.819 1482 E CB -0.306 29.384 29.700 -0.015 0.000 0.769 1482 E HN 0.425 nan 8.360 nan 0.000 0.454 1483 A N 1.333 124.136 122.820 -0.028 0.000 1.958 1483 A HA -0.289 4.031 4.320 -0.001 0.000 0.221 1483 A C 1.931 179.495 177.584 -0.035 0.000 1.178 1483 A CA 2.083 54.106 52.037 -0.023 0.000 0.642 1483 A CB -0.656 18.329 19.000 -0.025 0.000 0.816 1483 A HN 0.317 nan 8.150 nan 0.000 0.453 1484 E N -0.796 119.370 120.200 -0.056 0.000 2.106 1484 E HA -0.048 4.302 4.350 -0.001 0.000 0.192 1484 E C 2.284 178.844 176.600 -0.066 0.000 0.984 1484 E CA 0.846 57.203 56.400 -0.073 0.000 0.806 1484 E CB -0.233 29.409 29.700 -0.096 0.000 0.750 1484 E HN 0.650 nan 8.360 nan 0.000 0.458 1485 A N 0.854 123.653 122.820 -0.035 0.000 2.014 1485 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 1485 A C 2.019 179.665 177.584 0.102 0.000 1.163 1485 A CA 1.023 53.078 52.037 0.031 0.000 0.652 1485 A CB -0.282 18.762 19.000 0.075 0.000 0.808 1485 A HN 0.168 nan 8.150 nan 0.000 0.449 1486 Q N -0.846 118.985 119.800 0.053 0.000 2.167 1486 Q HA -0.131 4.208 4.340 -0.001 0.000 0.202 1486 Q C 1.922 177.945 176.000 0.039 0.000 0.970 1486 Q CA 1.805 57.642 55.803 0.056 0.000 0.855 1486 Q CB -0.141 28.608 28.738 0.018 0.000 0.911 1486 Q HN 0.601 nan 8.270 nan 0.000 0.438 1487 T N -0.069 114.479 114.554 -0.009 0.000 2.770 1487 T HA -0.104 4.245 4.350 -0.001 0.000 0.263 1487 T C 1.719 176.381 174.700 -0.063 0.000 1.039 1487 T CA 1.450 63.526 62.100 -0.042 0.000 1.142 1487 T CB -0.160 68.662 68.868 -0.078 0.000 0.868 1487 T HN 0.473 nan 8.240 nan 0.000 0.435 1488 S N -0.155 115.459 115.700 -0.144 0.000 2.603 1488 S HA 0.153 4.622 4.470 -0.001 0.000 0.229 1488 S C 1.145 175.501 174.600 -0.406 0.000 0.972 1488 S CA 0.338 58.356 58.200 -0.303 0.000 0.935 1488 S CB -0.525 62.405 63.200 -0.450 0.000 0.769 1488 S HN 0.529 nan 8.310 nan 0.000 0.536 1489 F N -0.098 119.885 119.950 0.055 0.000 2.817 1489 F HA 0.423 4.949 4.527 -0.001 0.000 0.333 1489 F C 1.993 177.786 175.800 -0.011 0.000 1.085 1489 F CA -0.208 57.798 58.000 0.010 0.000 1.170 1489 F CB 0.979 39.940 39.000 -0.066 0.000 1.066 1489 F HN 0.386 nan 8.300 nan 0.000 0.564 1490 G N -0.801 108.144 108.800 0.241 0.000 2.659 1490 G HA2 0.051 4.010 3.960 -0.001 0.000 0.197 1490 G HA3 0.051 4.010 3.960 -0.001 0.000 0.197 1490 G C 0.997 176.037 174.900 0.234 0.000 1.099 1490 G CA 0.110 45.306 45.100 0.161 0.000 0.759 1490 G HN 0.074 nan 8.290 nan 0.000 0.715 1491 N N 0.564 119.369 118.700 0.174 0.000 2.517 1491 N HA 0.036 4.776 4.740 -0.001 0.000 0.202 1491 N C 0.708 176.206 175.510 -0.020 0.000 1.042 1491 N CA 0.474 53.575 53.050 0.085 0.000 0.952 1491 N CB 0.513 39.001 38.487 0.002 0.000 1.211 1491 N HN 0.161 nan 8.380 nan 0.000 0.458 1492 E N 1.037 121.129 120.200 -0.179 0.000 2.496 1492 E HA 0.063 4.412 4.350 -0.001 0.000 0.200 1492 E C 0.190 176.462 176.600 -0.547 0.000 1.016 1492 E CA -0.256 55.805 56.400 -0.564 0.000 0.962 1492 E CB -0.070 29.381 29.700 -0.415 0.000 1.071 1492 E HN 0.399 nan 8.360 nan 0.000 0.457 1493 F N -0.449 119.358 119.950 -0.237 0.000 2.722 1493 F HA -0.008 4.518 4.527 -0.001 0.000 0.298 1493 F C 1.235 177.048 175.800 0.021 0.000 1.175 1493 F CA -0.132 57.816 58.000 -0.087 0.000 1.462 1493 F CB -0.372 38.676 39.000 0.080 0.000 1.111 1493 F HN 0.140 nan 8.300 nan 0.000 0.592 1494 W N 1.174 122.180 121.300 -0.490 0.000 2.862 1494 W HA 0.382 5.041 4.660 -0.001 0.000 0.376 1494 W C 0.289 176.702 176.519 -0.178 0.000 1.028 1494 W CA -0.807 56.332 57.345 -0.342 0.000 1.757 1494 W CB -1.045 28.104 29.460 -0.518 0.000 1.128 1494 W HN -0.023 nan 8.180 nan 0.000 0.566 1495 R N 3.386 123.600 120.500 -0.477 0.000 2.483 1495 R HA -0.028 4.311 4.340 -0.001 0.000 0.329 1495 R C 0.948 177.180 176.300 -0.113 0.000 0.961 1495 R CA 0.492 56.381 56.100 -0.353 0.000 1.041 1495 R CB 0.065 30.135 30.300 -0.383 0.000 0.930 1495 R HN 0.206 nan 8.270 nan 0.000 0.413 1496 R N 1.780 122.264 120.500 -0.026 0.000 3.875 1496 R HA -0.193 4.146 4.340 -0.001 0.000 0.321 1496 R C -0.833 175.488 176.300 0.034 0.000 1.196 1496 R CA 1.237 57.342 56.100 0.008 0.000 0.868 1496 R CB -1.128 29.159 30.300 -0.022 0.000 1.333 1496 R HN 0.729 nan 8.270 nan 0.000 0.522 1497 D N 0.318 120.762 120.400 0.073 0.000 2.352 1497 D HA 0.077 4.716 4.640 -0.001 0.000 0.245 1497 D C 0.992 177.342 176.300 0.084 0.000 1.224 1497 D CA 0.357 54.410 54.000 0.087 0.000 0.879 1497 D CB 1.231 42.111 40.800 0.133 0.000 1.057 1497 D HN 0.112 nan 8.370 nan 0.000 0.491 1498 S N 3.914 119.651 115.700 0.062 0.000 2.465 1498 S HA -0.146 4.323 4.470 -0.001 0.000 0.241 1498 S C 1.214 175.849 174.600 0.057 0.000 1.000 1498 S CA 0.998 59.230 58.200 0.053 0.000 0.964 1498 S CB 0.077 63.301 63.200 0.041 0.000 0.763 1498 S HN 0.530 nan 8.310 nan 0.000 0.512 1499 R N -0.034 120.505 120.500 0.066 0.000 2.509 1499 R HA 0.461 4.800 4.340 -0.001 0.000 0.300 1499 R C -0.548 175.791 176.300 0.066 0.000 0.985 1499 R CA 0.031 56.167 56.100 0.061 0.000 1.092 1499 R CB 0.414 30.751 30.300 0.061 0.000 1.237 1499 R HN 0.371 nan 8.270 nan 0.000 0.546 1500 I N 1.229 121.844 120.570 0.074 0.000 2.560 1500 I HA 0.262 4.431 4.170 -0.001 0.000 0.283 1500 I C -0.428 175.704 176.117 0.026 0.000 1.115 1500 I CA -0.894 60.443 61.300 0.061 0.000 1.066 1500 I CB 1.897 39.969 38.000 0.121 0.000 1.221 1500 I HN 0.019 nan 8.210 nan 0.000 0.450 1501 A N 7.782 130.589 122.820 -0.022 0.000 2.511 1501 A HA 0.358 4.677 4.320 -0.001 0.000 0.242 1501 A C -1.741 175.728 177.584 -0.192 0.000 1.069 1501 A CA -0.806 51.198 52.037 -0.055 0.000 0.763 1501 A CB -0.071 18.904 19.000 -0.042 0.000 1.001 1501 A HN 0.526 nan 8.150 nan 0.000 0.498 1502 P HA -0.157 nan 4.420 nan 0.000 0.216 1502 P C 1.503 178.396 177.300 -0.678 0.000 1.150 1502 P CA 0.874 63.667 63.100 -0.511 0.000 0.837 1502 P CB 0.049 31.670 31.700 -0.132 0.000 0.786 1503 L N -1.209 119.793 121.223 -0.367 0.000 1.989 1503 L HA -0.227 4.112 4.340 -0.001 0.000 0.211 1503 L C 2.798 179.465 176.870 -0.338 0.000 1.071 1503 L CA 1.655 56.310 54.840 -0.309 0.000 0.749 1503 L CB -0.515 41.432 42.059 -0.186 0.000 0.890 1503 L HN -0.118 nan 8.230 nan 0.000 0.431 1504 R N -0.087 120.241 120.500 -0.286 0.000 2.115 1504 R HA -0.186 4.153 4.340 -0.001 0.000 0.239 1504 R C 2.075 178.144 176.300 -0.384 0.000 1.133 1504 R CA 1.664 57.622 56.100 -0.237 0.000 0.935 1504 R CB -1.467 28.741 30.300 -0.153 0.000 0.853 1504 R HN 0.528 nan 8.270 nan 0.000 0.433 1505 G N 0.464 108.811 108.800 -0.754 0.000 2.721 1505 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.218 1505 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.218 1505 G C 1.521 175.783 174.900 -1.065 0.000 1.265 1505 G CA 1.883 46.102 45.100 -1.468 0.000 0.796 1505 G HN 0.514 nan 8.290 nan 0.000 0.620 1506 A N -0.177 121.997 122.820 -1.078 0.000 2.024 1506 A HA 0.110 4.429 4.320 -0.001 0.000 0.220 1506 A C 2.485 180.089 177.584 0.033 0.000 1.164 1506 A CA 1.471 53.382 52.037 -0.210 0.000 0.643 1506 A CB -0.298 18.639 19.000 -0.105 0.000 0.806 1506 A HN 0.402 nan 8.150 nan 0.000 0.451 1507 L N -1.348 119.813 121.223 -0.102 0.000 2.095 1507 L HA -0.090 4.249 4.340 -0.001 0.000 0.204 1507 L C 3.070 180.010 176.870 0.118 0.000 1.080 1507 L CA 0.907 55.754 54.840 0.010 0.000 0.759 1507 L CB -0.454 41.563 42.059 -0.070 0.000 0.914 1507 L HN 0.420 nan 8.230 nan 0.000 0.439 1508 A N 0.005 122.877 122.820 0.087 0.000 1.972 1508 A HA -0.219 4.100 4.320 -0.001 0.000 0.219 1508 A C 2.345 180.089 177.584 0.267 0.000 1.169 1508 A CA 2.027 54.180 52.037 0.193 0.000 0.635 1508 A CB -0.974 18.181 19.000 0.259 0.000 0.810 1508 A HN 0.523 nan 8.150 nan 0.000 0.446 1509 T N -4.774 109.959 114.554 0.299 0.000 2.946 1509 T HA -0.189 4.161 4.350 -0.001 0.000 0.271 1509 T C 1.081 175.637 174.700 -0.240 0.000 1.104 1509 T CA 1.347 63.552 62.100 0.174 0.000 1.114 1509 T CB -0.510 68.435 68.868 0.128 0.000 0.867 1509 T HN 0.649 nan 8.240 nan 0.000 0.513 1510 W N 0.685 122.086 121.300 0.169 0.000 2.870 1510 W HA 0.578 5.237 4.660 -0.001 0.000 0.358 1510 W C 1.311 177.965 176.519 0.224 0.000 1.043 1510 W CA -0.337 57.114 57.345 0.177 0.000 1.692 1510 W CB 0.341 29.855 29.460 0.089 0.000 1.100 1510 W HN 0.382 nan 8.180 nan 0.000 0.557 1511 G N 1.691 110.671 108.800 0.300 0.000 2.325 1511 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.248 1511 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.248 1511 G C -0.819 174.219 174.900 0.229 0.000 1.108 1511 G CA -0.472 44.768 45.100 0.234 0.000 0.881 1511 G HN 0.162 nan 8.290 nan 0.000 0.494 1512 L N -0.163 121.165 121.223 0.175 0.000 2.424 1512 L HA 0.831 5.170 4.340 -0.001 0.000 0.258 1512 L C 0.686 177.602 176.870 0.076 0.000 0.995 1512 L CA -0.630 54.282 54.840 0.120 0.000 0.821 1512 L CB 2.421 44.513 42.059 0.055 0.000 1.383 1512 L HN 0.383 nan 8.230 nan 0.000 0.410 1513 T N -2.831 111.763 114.554 0.066 0.000 2.889 1513 T HA 0.516 4.866 4.350 -0.001 0.000 0.278 1513 T C 1.135 175.849 174.700 0.023 0.000 0.995 1513 T CA -0.739 61.386 62.100 0.041 0.000 0.966 1513 T CB 0.958 69.860 68.868 0.056 0.000 1.237 1513 T HN 0.444 nan 8.240 nan 0.000 0.591 1514 I N -0.190 120.385 120.570 0.009 0.000 2.700 1514 I HA -0.054 4.115 4.170 -0.001 0.000 0.261 1514 I C 1.509 177.640 176.117 0.024 0.000 1.219 1514 I CA 0.966 62.265 61.300 -0.002 0.000 1.463 1514 I CB -0.708 37.285 38.000 -0.011 0.000 1.092 1514 I HN 0.448 nan 8.210 nan 0.000 0.452 1515 D N 1.113 121.542 120.400 0.048 0.000 2.348 1515 D HA -0.110 4.530 4.640 -0.001 0.000 0.216 1515 D C 1.438 177.786 176.300 0.080 0.000 0.970 1515 D CA 0.905 54.942 54.000 0.063 0.000 0.889 1515 D CB -0.164 40.709 40.800 0.121 0.000 0.912 1515 D HN 0.457 nan 8.370 nan 0.000 0.524 1516 D N -0.131 120.311 120.400 0.071 0.000 2.350 1516 D HA -0.028 4.611 4.640 -0.001 0.000 0.213 1516 D C 0.584 176.918 176.300 0.056 0.000 1.031 1516 D CA -0.192 53.855 54.000 0.079 0.000 0.861 1516 D CB 0.629 41.469 40.800 0.067 0.000 0.926 1516 D HN 0.105 nan 8.370 nan 0.000 0.520 1517 L N 1.840 123.085 121.223 0.036 0.000 2.536 1517 L HA 0.213 4.553 4.340 -0.001 0.000 0.282 1517 L C 1.377 178.295 176.870 0.080 0.000 1.147 1517 L CA 0.102 54.962 54.840 0.034 0.000 0.936 1517 L CB 0.604 42.667 42.059 0.007 0.000 1.279 1517 L HN -0.105 nan 8.230 nan 0.000 0.461 1518 G N 3.820 112.688 108.800 0.113 0.000 2.447 1518 G HA2 0.060 4.019 3.960 -0.001 0.000 0.211 1518 G HA3 0.060 4.019 3.960 -0.001 0.000 0.211 1518 G C 0.217 175.199 174.900 0.136 0.000 1.184 1518 G CA 0.050 45.234 45.100 0.139 0.000 0.813 1518 G HN 0.348 nan 8.290 nan 0.000 0.540 1519 V N 1.211 121.216 119.914 0.151 0.000 2.398 1519 V HA 0.694 4.813 4.120 -0.001 0.000 0.286 1519 V C -0.232 175.964 176.094 0.170 0.000 1.026 1519 V CA -0.724 61.660 62.300 0.139 0.000 0.868 1519 V CB 1.316 33.208 31.823 0.114 0.000 0.982 1519 V HN 0.462 nan 8.190 nan 0.000 0.443 1520 A N 3.802 126.724 122.820 0.170 0.000 2.258 1520 A HA 0.670 4.989 4.320 -0.001 0.000 0.316 1520 A C 0.036 177.758 177.584 0.230 0.000 1.279 1520 A CA -0.312 51.845 52.037 0.199 0.000 0.876 1520 A CB 1.146 20.315 19.000 0.282 0.000 1.170 1520 A HN 0.692 nan 8.150 nan 0.000 0.520 1521 S N 2.257 118.039 115.700 0.137 0.000 2.452 1521 S HA 0.614 5.083 4.470 -0.001 0.000 0.284 1521 S C -0.868 173.797 174.600 0.108 0.000 1.171 1521 S CA -0.206 58.057 58.200 0.106 0.000 1.064 1521 S CB -0.422 62.807 63.200 0.048 0.000 0.967 1521 S HN 0.379 nan 8.310 nan 0.000 0.484 1522 F N 3.826 123.692 119.950 -0.140 0.000 2.421 1522 F HA 0.356 4.883 4.527 -0.001 0.000 0.337 1522 F C 1.418 177.329 175.800 0.186 0.000 1.105 1522 F CA -0.754 57.262 58.000 0.026 0.000 1.049 1522 F CB 0.972 39.934 39.000 -0.063 0.000 1.139 1522 F HN 0.754 nan 8.300 nan 0.000 0.479 1523 H N 3.214 122.433 119.070 0.249 0.000 2.252 1523 H HA -0.100 4.455 4.556 -0.001 0.000 0.292 1523 H C 1.442 176.925 175.328 0.259 0.000 1.082 1523 H CA 1.488 57.652 56.048 0.193 0.000 1.229 1523 H CB -0.618 29.285 29.762 0.235 0.000 1.353 1523 H HN 0.776 nan 8.280 nan 0.000 0.488 1524 G N 0.009 109.044 108.800 0.391 0.000 2.220 1524 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.248 1524 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.248 1524 G C 0.698 175.636 174.900 0.062 0.000 0.791 1524 G CA 0.868 46.178 45.100 0.351 0.000 1.197 1524 G HN 0.822 nan 8.290 nan 0.000 0.336 1525 T N -1.083 113.436 114.554 -0.058 0.000 3.188 1525 T HA 0.458 4.807 4.350 -0.001 0.000 0.250 1525 T C 1.457 176.197 174.700 0.067 0.000 1.077 1525 T CA 0.977 63.023 62.100 -0.089 0.000 0.967 1525 T CB 0.465 69.246 68.868 -0.144 0.000 1.006 1525 T HN 2.014 nan 8.240 nan 0.000 0.552 1526 S N 0.720 116.436 115.700 0.025 0.000 3.127 1526 S HA -0.219 4.250 4.470 -0.001 0.000 0.281 1526 S C 0.606 175.226 174.600 0.033 0.000 1.293 1526 S CA 1.243 59.452 58.200 0.015 0.000 1.156 1526 S CB -2.190 61.042 63.200 0.054 0.000 1.389 1526 S HN 1.201 nan 8.310 nan 0.000 0.672 1527 T N -1.574 113.016 114.554 0.060 0.000 2.824 1527 T HA 0.675 5.025 4.350 -0.001 0.000 0.277 1527 T C 1.538 176.241 174.700 0.004 0.000 0.975 1527 T CA -0.172 61.964 62.100 0.060 0.000 0.966 1527 T CB 1.274 70.211 68.868 0.115 0.000 1.054 1527 T HN 0.357 nan 8.240 nan 0.000 0.533 1528 V N 1.369 121.283 119.914 -0.000 0.000 2.255 1528 V HA 0.056 4.175 4.120 -0.001 0.000 0.243 1528 V C 3.162 179.239 176.094 -0.028 0.000 1.038 1528 V CA 1.873 64.159 62.300 -0.023 0.000 1.008 1528 V CB -1.748 30.064 31.823 -0.018 0.000 0.645 1528 V HN 1.040 nan 8.190 nan 0.000 0.449 1529 A N 0.507 123.315 122.820 -0.020 0.000 1.930 1529 A HA -0.164 4.156 4.320 -0.001 0.000 0.215 1529 A C 2.079 179.634 177.584 -0.048 0.000 1.176 1529 A CA 1.665 53.684 52.037 -0.031 0.000 0.632 1529 A CB -0.905 18.076 19.000 -0.032 0.000 0.819 1529 A HN 0.639 nan 8.150 nan 0.000 0.445 1530 N N 0.293 118.966 118.700 -0.046 0.000 2.149 1530 N HA -0.192 4.547 4.740 -0.001 0.000 0.188 1530 N C 1.050 176.541 175.510 -0.031 0.000 1.019 1530 N CA 1.980 54.986 53.050 -0.074 0.000 0.857 1530 N CB -0.134 38.353 38.487 0.000 0.000 0.997 1530 N HN 0.435 nan 8.380 nan 0.000 0.426 1531 D N -0.221 120.178 120.400 -0.002 0.000 2.213 1531 D HA -0.111 4.528 4.640 -0.001 0.000 0.205 1531 D C 1.567 177.870 176.300 0.005 0.000 0.961 1531 D CA 0.633 54.651 54.000 0.029 0.000 0.853 1531 D CB -0.201 40.545 40.800 -0.089 0.000 0.967 1531 D HN 0.438 nan 8.370 nan 0.000 0.496 1532 K N 0.856 121.234 120.400 -0.038 0.000 2.148 1532 K HA -0.147 4.172 4.320 -0.001 0.000 0.204 1532 K C 1.733 178.405 176.600 0.120 0.000 1.050 1532 K CA 0.956 57.232 56.287 -0.018 0.000 0.942 1532 K CB 0.155 32.653 32.500 -0.003 0.000 0.724 1532 K HN -0.100 nan 8.250 nan 0.000 0.446 1533 N N 0.733 119.465 118.700 0.053 0.000 2.220 1533 N HA -0.097 4.642 4.740 -0.001 0.000 0.182 1533 N C 1.520 177.069 175.510 0.065 0.000 1.023 1533 N CA 1.032 54.099 53.050 0.029 0.000 0.856 1533 N CB 0.140 38.548 38.487 -0.131 0.000 0.997 1533 N HN 0.180 nan 8.380 nan 0.000 0.429 1534 E N -0.001 120.213 120.200 0.023 0.000 2.049 1534 E HA -0.189 4.160 4.350 -0.001 0.000 0.198 1534 E C 1.839 178.708 176.600 0.449 0.000 1.007 1534 E CA 1.497 58.005 56.400 0.180 0.000 0.809 1534 E CB -0.162 29.752 29.700 0.357 0.000 0.749 1534 E HN 0.348 nan 8.360 nan 0.000 0.450 1535 S N 0.882 116.988 115.700 0.677 0.000 2.359 1535 S HA -0.223 4.246 4.470 -0.001 0.000 0.223 1535 S C 1.639 176.697 174.600 0.763 0.000 1.039 1535 S CA 1.498 60.195 58.200 0.827 0.000 1.042 1535 S CB -0.450 62.961 63.200 0.351 0.000 0.915 1535 S HN 0.327 nan 8.310 nan 0.000 0.439 1536 D N 1.157 122.009 120.400 0.754 0.000 2.103 1536 D HA -0.116 4.523 4.640 -0.001 0.000 0.190 1536 D C 1.982 178.378 176.300 0.160 0.000 0.997 1536 D CA 1.316 55.544 54.000 0.380 0.000 0.833 1536 D CB -0.500 40.461 40.800 0.268 0.000 0.961 1536 D HN 0.212 nan 8.370 nan 0.000 0.447 1537 V N 1.240 121.257 119.914 0.171 0.000 2.231 1537 V HA -0.248 3.872 4.120 -0.001 0.000 0.248 1537 V C 2.809 178.948 176.094 0.074 0.000 1.054 1537 V CA 1.574 63.941 62.300 0.113 0.000 1.015 1537 V CB -0.457 31.480 31.823 0.189 0.000 0.638 1537 V HN 0.298 nan 8.190 nan 0.000 0.444 1538 I N -0.998 119.635 120.570 0.105 0.000 2.335 1538 I HA -0.320 3.849 4.170 -0.001 0.000 0.251 1538 I C 2.559 178.715 176.117 0.065 0.000 1.129 1538 I CA 1.449 62.783 61.300 0.057 0.000 1.402 1538 I CB -0.210 37.809 38.000 0.031 0.000 1.069 1538 I HN 0.489 nan 8.210 nan 0.000 0.424 1539 C N 0.476 119.842 119.300 0.110 0.000 2.548 1539 C HA -0.188 4.271 4.460 -0.001 0.000 0.284 1539 C C 2.808 177.685 174.990 -0.188 0.000 1.252 1539 C CA 1.041 60.049 59.018 -0.016 0.000 1.725 1539 C CB -0.984 26.742 27.740 -0.023 0.000 2.098 1539 C HN 0.481 nan 8.230 nan 0.000 0.471 1540 Q N -0.155 119.556 119.800 -0.149 0.000 2.142 1540 Q HA -0.339 4.000 4.340 -0.001 0.000 0.213 1540 Q C 2.202 178.129 176.000 -0.122 0.000 1.004 1540 Q CA 2.278 57.993 55.803 -0.147 0.000 0.883 1540 Q CB -0.430 28.247 28.738 -0.101 0.000 0.939 1540 Q HN 0.749 nan 8.270 nan 0.000 0.413 1541 Q N 0.268 120.015 119.800 -0.087 0.000 1.985 1541 Q HA -0.197 4.143 4.340 -0.001 0.000 0.207 1541 Q C 2.332 178.274 176.000 -0.097 0.000 0.996 1541 Q CA 1.466 57.230 55.803 -0.064 0.000 0.851 1541 Q CB -0.331 28.373 28.738 -0.057 0.000 0.921 1541 Q HN 0.412 nan 8.270 nan 0.000 0.418 1542 L N 0.787 121.919 121.223 -0.151 0.000 2.013 1542 L HA -0.285 4.055 4.340 -0.001 0.000 0.212 1542 L C 2.697 179.378 176.870 -0.315 0.000 1.073 1542 L CA 1.704 56.427 54.840 -0.194 0.000 0.753 1542 L CB -0.641 41.309 42.059 -0.182 0.000 0.890 1542 L HN 0.315 nan 8.230 nan 0.000 0.432 1543 K N 0.054 120.129 120.400 -0.543 0.000 1.991 1543 K HA -0.298 4.021 4.320 -0.001 0.000 0.212 1543 K C 2.085 178.594 176.600 -0.152 0.000 1.049 1543 K CA 2.135 58.141 56.287 -0.468 0.000 0.932 1543 K CB -0.364 31.865 32.500 -0.451 0.000 0.717 1543 K HN 0.307 nan 8.250 nan 0.000 0.441 1544 H N 0.066 119.031 119.070 -0.174 0.000 2.567 1544 H HA 0.065 4.621 4.556 -0.001 0.000 0.276 1544 H C 1.379 176.659 175.328 -0.080 0.000 1.016 1544 H CA 0.670 56.655 56.048 -0.104 0.000 1.186 1544 H CB 0.094 29.801 29.762 -0.092 0.000 1.351 1544 H HN 0.221 nan 8.280 nan 0.000 0.605 1545 L N -1.572 119.580 121.223 -0.119 0.000 2.513 1545 L HA 0.246 4.585 4.340 -0.001 0.000 0.222 1545 L C 1.515 178.318 176.870 -0.112 0.000 1.096 1545 L CA 0.723 55.486 54.840 -0.129 0.000 0.857 1545 L CB 0.443 42.459 42.059 -0.073 0.000 1.026 1545 L HN 0.607 nan 8.230 nan 0.000 0.469 1546 G N 0.706 109.454 108.800 -0.086 0.000 2.175 1546 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.182 1546 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.182 1546 G C 0.312 175.233 174.900 0.035 0.000 1.003 1546 G CA -0.231 44.849 45.100 -0.032 0.000 0.666 1546 G HN 0.235 nan 8.290 nan 0.000 0.506 1547 R N 1.794 122.324 120.500 0.050 0.000 2.486 1547 R HA 0.256 4.595 4.340 -0.001 0.000 0.304 1547 R C 0.607 177.007 176.300 0.167 0.000 0.913 1547 R CA 1.079 57.253 56.100 0.122 0.000 1.124 1547 R CB -0.320 30.098 30.300 0.198 0.000 0.891 1547 R HN 0.138 nan 8.270 nan 0.000 0.410 1548 T N 6.277 120.872 114.554 0.068 0.000 2.831 1548 T HA -0.044 4.305 4.350 -0.001 0.000 0.291 1548 T C 0.230 174.871 174.700 -0.098 0.000 0.981 1548 T CA 0.156 62.284 62.100 0.046 0.000 1.174 1548 T CB 0.154 69.114 68.868 0.153 0.000 0.929 1548 T HN 0.435 nan 8.240 nan 0.000 0.532 1549 K N 2.191 122.561 120.400 -0.049 0.000 2.412 1549 K HA 0.298 4.618 4.320 -0.001 0.000 0.281 1549 K C 1.323 177.801 176.600 -0.204 0.000 1.027 1549 K CA 0.833 56.999 56.287 -0.202 0.000 0.989 1549 K CB -0.118 32.329 32.500 -0.088 0.000 0.935 1549 K HN 0.844 nan 8.250 nan 0.000 0.475 1550 G N 2.915 111.526 108.800 -0.316 0.000 2.238 1550 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.217 1550 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.217 1550 G C -0.151 174.608 174.900 -0.235 0.000 0.996 1550 G CA -0.004 45.022 45.100 -0.124 0.000 0.632 1550 G HN 0.663 nan 8.290 nan 0.000 0.503 1551 N N 1.673 119.957 118.700 -0.693 0.000 2.521 1551 N HA 0.648 5.387 4.740 -0.001 0.000 0.236 1551 N C 0.394 175.729 175.510 -0.292 0.000 1.067 1551 N CA 0.796 53.297 53.050 -0.916 0.000 0.939 1551 N CB 0.449 37.979 38.487 -1.596 0.000 1.201 1551 N HN 0.794 nan 8.380 nan 0.000 0.511 1552 A N 2.251 125.098 122.820 0.045 0.000 2.264 1552 A HA 0.601 4.920 4.320 -0.001 0.000 0.304 1552 A C -0.198 177.447 177.584 0.102 0.000 1.100 1552 A CA -0.649 51.414 52.037 0.044 0.000 0.839 1552 A CB 0.601 19.551 19.000 -0.082 0.000 1.121 1552 A HN 0.524 nan 8.150 nan 0.000 0.496 1553 V N -0.428 119.528 119.914 0.070 0.000 2.483 1553 V HA 0.507 4.627 4.120 -0.001 0.000 0.295 1553 V C 0.004 176.115 176.094 0.028 0.000 1.035 1553 V CA -0.836 61.516 62.300 0.086 0.000 0.896 1553 V CB 0.908 32.803 31.823 0.119 0.000 0.986 1553 V HN 0.700 nan 8.190 nan 0.000 0.447 1554 L N 4.506 125.761 121.223 0.054 0.000 2.477 1554 L HA 0.396 4.736 4.340 -0.001 0.000 0.272 1554 L C 1.038 177.894 176.870 -0.023 0.000 1.157 1554 L CA 0.532 55.377 54.840 0.008 0.000 0.889 1554 L CB 0.587 42.670 42.059 0.040 0.000 1.158 1554 L HN 1.008 nan 8.230 nan 0.000 0.473 1555 G N 5.408 114.129 108.800 -0.133 0.000 2.319 1555 G HA2 0.483 4.443 3.960 -0.001 0.000 0.308 1555 G HA3 0.483 4.443 3.960 -0.001 0.000 0.308 1555 G C -0.353 174.315 174.900 -0.387 0.000 1.117 1555 G CA -0.504 44.414 45.100 -0.302 0.000 0.903 1555 G HN 0.307 nan 8.290 nan 0.000 0.436 1556 I N 2.090 122.430 120.570 -0.382 0.000 2.392 1556 I HA 0.447 4.616 4.170 -0.001 0.000 0.295 1556 I C -0.742 175.062 176.117 -0.523 0.000 0.985 1556 I CA -1.579 59.568 61.300 -0.254 0.000 1.221 1556 I CB 1.230 39.210 38.000 -0.034 0.000 1.366 1556 I HN 0.348 nan 8.210 nan 0.000 0.467 1557 F N 4.358 124.432 119.950 0.207 0.000 2.686 1557 F HA 0.308 4.834 4.527 -0.001 0.000 0.365 1557 F C 1.290 177.221 175.800 0.218 0.000 1.196 1557 F CA -0.474 57.654 58.000 0.213 0.000 1.198 1557 F CB 0.634 39.739 39.000 0.174 0.000 1.454 1557 F HN 0.488 nan 8.300 nan 0.000 0.539 1558 Q N 1.242 121.182 119.800 0.233 0.000 2.508 1558 Q HA -0.109 4.231 4.340 -0.001 0.000 0.214 1558 Q C 1.610 177.625 176.000 0.025 0.000 0.979 1558 Q CA 0.999 56.848 55.803 0.076 0.000 0.911 1558 Q CB 0.293 29.087 28.738 0.094 0.000 0.969 1558 Q HN 0.332 nan 8.270 nan 0.000 0.504 1559 K N -0.124 120.360 120.400 0.141 0.000 2.288 1559 K HA -0.148 4.171 4.320 -0.001 0.000 0.201 1559 K C 1.751 178.428 176.600 0.129 0.000 1.048 1559 K CA 0.887 57.246 56.287 0.121 0.000 0.956 1559 K CB -0.405 32.151 32.500 0.092 0.000 0.746 1559 K HN 0.500 nan 8.250 nan 0.000 0.461 1560 Y N -0.423 119.958 120.300 0.134 0.000 2.207 1560 Y HA -0.097 4.452 4.550 -0.001 0.000 0.287 1560 Y C 1.895 177.873 175.900 0.130 0.000 1.156 1560 Y CA 0.976 59.136 58.100 0.100 0.000 1.182 1560 Y CB -0.640 37.860 38.460 0.067 0.000 0.979 1560 Y HN -0.071 nan 8.280 nan 0.000 0.521 1561 L N 0.195 121.084 121.223 -0.557 0.000 2.168 1561 L HA -0.034 4.306 4.340 -0.001 0.000 0.203 1561 L C 2.193 179.167 176.870 0.172 0.000 1.078 1561 L CA 1.775 56.421 54.840 -0.323 0.000 0.780 1561 L CB -0.292 41.310 42.059 -0.760 0.000 0.939 1561 L HN 0.568 nan 8.230 nan 0.000 0.451 1562 T N -3.902 110.729 114.554 0.128 0.000 3.001 1562 T HA 0.349 4.698 4.350 -0.001 0.000 0.251 1562 T C 1.040 175.918 174.700 0.298 0.000 1.040 1562 T CA 0.398 62.662 62.100 0.274 0.000 0.985 1562 T CB 0.485 69.534 68.868 0.302 0.000 1.011 1562 T HN 0.498 nan 8.240 nan 0.000 0.509 1563 G N 1.513 110.447 108.800 0.223 0.000 2.645 1563 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.239 1563 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.239 1563 G C -0.664 174.387 174.900 0.250 0.000 1.331 1563 G CA -0.021 45.210 45.100 0.218 0.000 0.890 1563 G HN 0.935 nan 8.290 nan 0.000 0.572 1564 H N 1.552 120.674 119.070 0.085 0.000 2.866 1564 H HA 0.571 5.127 4.556 -0.001 0.000 0.287 1564 H C -2.459 172.806 175.328 -0.104 0.000 1.106 1564 H CA -2.504 53.504 56.048 -0.067 0.000 1.396 1564 H CB 1.298 30.915 29.762 -0.241 0.000 1.469 1564 H HN 0.263 nan 8.280 nan 0.000 0.500 1565 P HA 0.078 nan 4.420 nan 0.000 0.263 1565 P C 0.613 177.915 177.300 0.004 0.000 1.601 1565 P CA -0.114 62.929 63.100 -0.096 0.000 1.161 1565 P CB 0.180 31.487 31.700 -0.656 0.000 1.730 1566 K N 1.871 122.210 120.400 -0.102 0.000 2.413 1566 K HA -0.312 4.008 4.320 -0.001 0.000 0.205 1566 K C 1.909 178.537 176.600 0.046 0.000 0.830 1566 K CA 2.472 58.654 56.287 -0.174 0.000 0.991 1566 K CB -1.475 31.031 32.500 0.010 0.000 1.171 1566 K HN 0.526 nan 8.250 nan 0.000 0.553 1567 G N -0.968 107.830 108.800 -0.002 0.000 2.724 1567 G HA2 0.230 4.189 3.960 -0.001 0.000 0.205 1567 G HA3 0.230 4.189 3.960 -0.001 0.000 0.205 1567 G C 0.855 175.691 174.900 -0.107 0.000 1.112 1567 G CA 0.312 45.389 45.100 -0.038 0.000 0.793 1567 G HN 0.403 nan 8.290 nan 0.000 0.526 1568 A N 0.951 123.658 122.820 -0.189 0.000 2.648 1568 A HA 0.722 5.041 4.320 -0.001 0.000 0.269 1568 A C 1.947 179.246 177.584 -0.475 0.000 1.392 1568 A CA 0.910 52.769 52.037 -0.298 0.000 1.019 1568 A CB -0.518 18.289 19.000 -0.321 0.000 1.009 1568 A HN 0.475 nan 8.150 nan 0.000 0.565 1569 A N 0.314 122.977 122.820 -0.262 0.000 1.825 1569 A HA 0.183 4.503 4.320 -0.001 0.000 0.214 1569 A C 2.312 179.830 177.584 -0.110 0.000 1.206 1569 A CA 1.576 53.477 52.037 -0.227 0.000 0.609 1569 A CB -1.336 17.601 19.000 -0.106 0.000 0.851 1569 A HN 0.851 nan 8.150 nan 0.000 0.445 1570 G N -0.488 108.286 108.800 -0.043 0.000 2.475 1570 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.220 1570 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.220 1570 G C 1.668 176.592 174.900 0.041 0.000 1.125 1570 G CA 1.648 46.753 45.100 0.008 0.000 0.755 1570 G HN 0.850 nan 8.290 nan 0.000 0.565 1571 A N 0.213 123.042 122.820 0.014 0.000 1.908 1571 A HA -0.066 4.253 4.320 -0.001 0.000 0.218 1571 A C 2.183 179.918 177.584 0.253 0.000 1.181 1571 A CA 1.676 53.772 52.037 0.098 0.000 0.627 1571 A CB -0.568 18.480 19.000 0.079 0.000 0.818 1571 A HN 0.459 nan 8.150 nan 0.000 0.445 1572 W N -0.411 120.905 121.300 0.026 0.000 2.409 1572 W HA 0.005 4.665 4.660 -0.001 0.000 0.299 1572 W C 2.441 178.960 176.519 0.001 0.000 1.203 1572 W CA 0.887 58.243 57.345 0.018 0.000 1.298 1572 W CB -1.138 28.340 29.460 0.030 0.000 1.127 1572 W HN 0.300 nan 8.180 nan 0.000 0.528 1573 M N -0.519 119.222 119.600 0.234 0.000 2.159 1573 M HA -0.173 4.306 4.480 -0.001 0.000 0.263 1573 M C 2.154 178.471 176.300 0.028 0.000 1.063 1573 M CA 1.338 56.709 55.300 0.118 0.000 1.110 1573 M CB -0.990 31.673 32.600 0.105 0.000 1.374 1573 M HN -0.108 nan 8.290 nan 0.000 0.411 1574 L N 1.015 122.265 121.223 0.045 0.000 2.083 1574 L HA -0.191 4.148 4.340 -0.001 0.000 0.209 1574 L C 1.880 178.703 176.870 -0.079 0.000 1.083 1574 L CA 1.790 56.632 54.840 0.003 0.000 0.752 1574 L CB -0.578 41.520 42.059 0.065 0.000 0.899 1574 L HN 0.259 nan 8.230 nan 0.000 0.433 1575 N N -0.227 118.456 118.700 -0.028 0.000 2.188 1575 N HA -0.097 4.642 4.740 -0.001 0.000 0.184 1575 N C 1.815 177.239 175.510 -0.144 0.000 1.018 1575 N CA 1.240 54.238 53.050 -0.087 0.000 0.858 1575 N CB -0.956 37.512 38.487 -0.031 0.000 0.989 1575 N HN 0.442 nan 8.380 nan 0.000 0.426 1576 G N 0.583 109.338 108.800 -0.074 0.000 2.459 1576 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.217 1576 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.217 1576 G C 1.750 176.532 174.900 -0.196 0.000 1.183 1576 G CA 1.207 46.284 45.100 -0.039 0.000 0.776 1576 G HN 0.387 nan 8.290 nan 0.000 0.552 1577 C N 0.526 119.601 119.300 -0.374 0.000 2.473 1577 C HA 0.067 4.527 4.460 -0.001 0.000 0.279 1577 C C 2.865 177.501 174.990 -0.590 0.000 1.250 1577 C CA 0.549 59.133 59.018 -0.723 0.000 1.713 1577 C CB -1.253 25.417 27.740 -1.784 0.000 2.066 1577 C HN 0.420 nan 8.230 nan 0.000 0.474 1578 L N 0.504 121.459 121.223 -0.447 0.000 2.270 1578 L HA -0.274 4.066 4.340 -0.001 0.000 0.217 1578 L C 2.597 179.345 176.870 -0.204 0.000 1.107 1578 L CA 1.583 56.312 54.840 -0.186 0.000 0.772 1578 L CB -0.872 41.142 42.059 -0.074 0.000 0.902 1578 L HN 0.557 nan 8.230 nan 0.000 0.439 1579 Q N -0.785 118.779 119.800 -0.393 0.000 2.123 1579 Q HA -0.092 4.247 4.340 -0.001 0.000 0.196 1579 Q C 2.403 178.018 176.000 -0.643 0.000 0.958 1579 Q CA 0.832 56.212 55.803 -0.705 0.000 0.841 1579 Q CB 0.149 28.104 28.738 -1.305 0.000 0.915 1579 Q HN 0.276 nan 8.270 nan 0.000 0.455 1580 V N 1.034 120.705 119.914 -0.405 0.000 2.343 1580 V HA -0.274 3.845 4.120 -0.001 0.000 0.247 1580 V C 2.172 178.244 176.094 -0.037 0.000 1.051 1580 V CA 1.466 63.715 62.300 -0.085 0.000 1.036 1580 V CB -0.482 31.346 31.823 0.007 0.000 0.654 1580 V HN 0.419 nan 8.190 nan 0.000 0.451 1581 L N 0.217 121.392 121.223 -0.080 0.000 2.043 1581 L HA -0.243 4.096 4.340 -0.001 0.000 0.212 1581 L C 2.119 178.963 176.870 -0.043 0.000 1.075 1581 L CA 1.963 56.792 54.840 -0.019 0.000 0.752 1581 L CB -0.557 41.461 42.059 -0.069 0.000 0.891 1581 L HN 0.482 nan 8.230 nan 0.000 0.432 1582 N N -1.136 117.511 118.700 -0.088 0.000 2.313 1582 N HA -0.047 4.692 4.740 -0.001 0.000 0.207 1582 N C 0.980 176.512 175.510 0.037 0.000 1.141 1582 N CA 0.918 53.944 53.050 -0.040 0.000 0.830 1582 N CB 0.407 38.845 38.487 -0.082 0.000 1.008 1582 N HN 0.439 nan 8.380 nan 0.000 0.481 1583 T N -5.923 108.676 114.554 0.075 0.000 3.100 1583 T HA 0.222 4.572 4.350 -0.001 0.000 0.255 1583 T C 1.224 176.028 174.700 0.173 0.000 0.893 1583 T CA 0.807 62.998 62.100 0.151 0.000 0.882 1583 T CB 0.257 69.267 68.868 0.236 0.000 1.266 1583 T HN 0.017 nan 8.240 nan 0.000 0.528 1584 G N 2.159 111.054 108.800 0.159 0.000 2.184 1584 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.264 1584 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.264 1584 G C 0.047 174.999 174.900 0.087 0.000 0.975 1584 G CA 0.261 45.448 45.100 0.145 0.000 0.642 1584 G HN 0.760 nan 8.290 nan 0.000 0.536 1585 I N 1.575 122.230 120.570 0.141 0.000 2.308 1585 I HA 0.332 4.501 4.170 -0.001 0.000 0.293 1585 I C 0.449 176.647 176.117 0.135 0.000 1.078 1585 I CA -0.742 60.614 61.300 0.093 0.000 1.292 1585 I CB 1.399 39.486 38.000 0.145 0.000 1.423 1585 I HN -0.141 nan 8.210 nan 0.000 0.493 1586 V N 9.040 128.966 119.914 0.020 0.000 2.353 1586 V HA 0.216 4.335 4.120 -0.001 0.000 0.264 1586 V C -2.134 173.953 176.094 -0.011 0.000 1.049 1586 V CA -1.671 60.649 62.300 0.034 0.000 0.896 1586 V CB 0.557 32.381 31.823 0.002 0.000 1.025 1586 V HN 0.560 nan 8.190 nan 0.000 0.475 1587 P HA 0.244 nan 4.420 nan 0.000 0.276 1587 P C 0.568 177.871 177.300 0.005 0.000 1.243 1587 P CA 0.268 63.328 63.100 -0.067 0.000 0.768 1587 P CB 0.907 32.551 31.700 -0.094 0.000 0.856 1588 G N 2.503 111.281 108.800 -0.036 0.000 2.631 1588 G HA2 0.131 4.091 3.960 -0.001 0.000 0.271 1588 G HA3 0.131 4.091 3.960 -0.001 0.000 0.271 1588 G C -0.301 174.593 174.900 -0.010 0.000 1.302 1588 G CA -0.205 44.883 45.100 -0.020 0.000 1.002 1588 G HN 0.555 nan 8.290 nan 0.000 0.519 1589 N N -1.209 117.416 118.700 -0.125 0.000 2.626 1589 N HA 0.159 4.898 4.740 -0.001 0.000 0.249 1589 N C 1.225 176.345 175.510 -0.650 0.000 1.021 1589 N CA -0.669 52.121 53.050 -0.433 0.000 0.886 1589 N CB 1.012 39.499 38.487 -0.000 0.000 1.149 1589 N HN 0.464 nan 8.380 nan 0.000 0.517 1590 R N 2.222 122.123 120.500 -0.999 0.000 2.152 1590 R HA -0.002 4.337 4.340 -0.001 0.000 0.232 1590 R C 0.430 176.487 176.300 -0.405 0.000 1.117 1590 R CA 1.157 56.933 56.100 -0.540 0.000 0.981 1590 R CB -0.191 29.883 30.300 -0.377 0.000 0.870 1590 R HN 0.595 nan 8.270 nan 0.000 0.451 1591 N N 0.860 119.283 118.700 -0.462 0.000 2.370 1591 N HA 0.064 4.803 4.740 -0.001 0.000 0.198 1591 N C 0.144 175.546 175.510 -0.179 0.000 1.156 1591 N CA -0.212 52.710 53.050 -0.213 0.000 0.839 1591 N CB 0.501 38.943 38.487 -0.076 0.000 0.989 1591 N HN 0.158 nan 8.380 nan 0.000 0.468 1592 A N 0.862 123.560 122.820 -0.204 0.000 2.711 1592 A HA -0.036 4.284 4.320 -0.001 0.000 0.242 1592 A C 0.950 178.501 177.584 -0.054 0.000 1.607 1592 A CA -0.089 51.880 52.037 -0.113 0.000 1.370 1592 A CB -0.391 18.595 19.000 -0.022 0.000 0.934 1592 A HN 0.159 nan 8.150 nan 0.000 0.628 1593 D N 0.944 121.280 120.400 -0.107 0.000 3.134 1593 D HA -0.274 4.366 4.640 -0.001 0.000 0.482 1593 D C 0.575 176.831 176.300 -0.072 0.000 1.049 1593 D CA 2.466 56.399 54.000 -0.112 0.000 1.379 1593 D CB -0.056 40.737 40.800 -0.011 0.000 0.865 1593 D HN 0.730 nan 8.370 nan 0.000 0.499 1594 N N -1.413 117.311 118.700 0.041 0.000 2.655 1594 N HA 0.217 4.957 4.740 -0.001 0.000 0.277 1594 N C -1.732 173.751 175.510 -0.045 0.000 1.177 1594 N CA -0.389 52.730 53.050 0.115 0.000 0.882 1594 N CB 1.296 39.893 38.487 0.183 0.000 1.481 1594 N HN -0.087 nan 8.380 nan 0.000 0.547 1595 V N 2.039 121.822 119.914 -0.218 0.000 2.599 1595 V HA 0.022 4.142 4.120 -0.001 0.000 0.300 1595 V C 0.764 176.751 176.094 -0.179 0.000 1.034 1595 V CA 0.017 62.113 62.300 -0.339 0.000 1.115 1595 V CB 0.413 31.879 31.823 -0.596 0.000 0.934 1595 V HN 0.694 nan 8.190 nan 0.000 0.485 1596 D N 4.562 124.863 120.400 -0.165 0.000 2.533 1596 D HA -0.039 4.601 4.640 -0.001 0.000 0.236 1596 D C 1.264 177.600 176.300 0.060 0.000 1.137 1596 D CA 0.122 54.083 54.000 -0.065 0.000 0.867 1596 D CB 0.759 41.485 40.800 -0.124 0.000 1.170 1596 D HN 0.425 nan 8.370 nan 0.000 0.474 1597 K N 2.761 123.229 120.400 0.113 0.000 2.228 1597 K HA -0.104 4.215 4.320 -0.001 0.000 0.205 1597 K C 1.786 178.389 176.600 0.005 0.000 1.045 1597 K CA 0.645 57.013 56.287 0.134 0.000 0.931 1597 K CB -0.183 32.371 32.500 0.090 0.000 0.727 1597 K HN 0.367 nan 8.250 nan 0.000 0.458 1598 V N 1.270 121.177 119.914 -0.013 0.000 2.594 1598 V HA -0.209 3.910 4.120 -0.001 0.000 0.253 1598 V C 2.181 178.241 176.094 -0.056 0.000 1.069 1598 V CA 1.232 63.521 62.300 -0.018 0.000 1.082 1598 V CB -0.449 31.360 31.823 -0.023 0.000 0.680 1598 V HN 0.283 nan 8.190 nan 0.000 0.469 1599 M N -0.306 119.209 119.600 -0.142 0.000 2.630 1599 M HA -0.069 4.410 4.480 -0.001 0.000 0.254 1599 M C 2.022 178.319 176.300 -0.005 0.000 1.092 1599 M CA 1.013 56.163 55.300 -0.251 0.000 1.087 1599 M CB -1.058 31.395 32.600 -0.244 0.000 1.453 1599 M HN 0.554 nan 8.290 nan 0.000 0.509 1600 E N 1.115 121.155 120.200 -0.266 0.000 2.150 1600 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 1600 E C 1.694 178.180 176.600 -0.190 0.000 0.985 1600 E CA 1.023 56.976 56.400 -0.745 0.000 0.814 1600 E CB 0.077 28.996 29.700 -1.302 0.000 0.752 1600 E HN 0.587 nan 8.360 nan 0.000 0.466 1601 Q N -0.426 119.427 119.800 0.087 0.000 2.308 1601 Q HA -0.152 4.187 4.340 -0.001 0.000 0.209 1601 Q C 0.082 176.193 176.000 0.184 0.000 0.985 1601 Q CA 0.799 56.690 55.803 0.147 0.000 0.881 1601 Q CB -0.254 28.590 28.738 0.178 0.000 0.917 1601 Q HN 0.337 nan 8.270 nan 0.000 0.443 1602 F N 1.697 121.655 119.950 0.014 0.000 2.499 1602 F HA 0.103 4.629 4.527 -0.001 0.000 0.353 1602 F C 0.767 176.618 175.800 0.085 0.000 1.196 1602 F CA -1.071 56.990 58.000 0.100 0.000 1.244 1602 F CB 0.441 39.540 39.000 0.165 0.000 1.577 1602 F HN -0.048 nan 8.300 nan 0.000 0.614 1603 D N 1.235 121.758 120.400 0.205 0.000 2.133 1603 D HA -0.276 4.364 4.640 -0.001 0.000 0.192 1603 D C 1.612 177.904 176.300 -0.014 0.000 1.001 1603 D CA 2.037 56.056 54.000 0.031 0.000 0.844 1603 D CB -0.254 40.481 40.800 -0.108 0.000 0.944 1603 D HN 0.544 nan 8.370 nan 0.000 0.447 1604 Y N 0.378 120.683 120.300 0.008 0.000 2.578 1604 Y HA 0.153 4.702 4.550 -0.001 0.000 0.297 1604 Y C 1.157 177.043 175.900 -0.023 0.000 1.176 1604 Y CA -0.233 57.860 58.100 -0.011 0.000 1.315 1604 Y CB 0.135 38.595 38.460 0.001 0.000 1.031 1604 Y HN -0.136 nan 8.280 nan 0.000 0.524 1605 I N 0.108 120.730 120.570 0.086 0.000 2.441 1605 I HA 0.412 4.582 4.170 -0.001 0.000 0.295 1605 I C -0.859 175.015 176.117 -0.405 0.000 0.994 1605 I CA -0.984 60.234 61.300 -0.136 0.000 1.144 1605 I CB 2.149 40.066 38.000 -0.138 0.000 1.314 1605 I HN -0.344 nan 8.210 nan 0.000 0.445 1606 V N 6.566 126.186 119.914 -0.491 0.000 2.789 1606 V HA 0.443 4.562 4.120 -0.001 0.000 0.311 1606 V C -1.463 174.339 176.094 -0.486 0.000 1.073 1606 V CA -0.450 61.553 62.300 -0.495 0.000 0.921 1606 V CB 2.300 33.910 31.823 -0.356 0.000 1.009 1606 V HN 0.485 nan 8.190 nan 0.000 0.426 1607 Y N 6.015 126.276 120.300 -0.066 0.000 2.587 1607 Y HA 0.498 5.048 4.550 -0.001 0.000 0.328 1607 Y C -2.275 173.648 175.900 0.038 0.000 0.980 1607 Y CA -3.021 55.078 58.100 -0.001 0.000 1.272 1607 Y CB 0.964 39.385 38.460 -0.065 0.000 1.094 1607 Y HN 0.465 nan 8.280 nan 0.000 0.503 1608 P HA 0.091 nan 4.420 nan 0.000 0.276 1608 P C 0.360 177.749 177.300 0.149 0.000 1.235 1608 P CA -0.155 63.033 63.100 0.147 0.000 0.772 1608 P CB 1.160 32.903 31.700 0.071 0.000 0.871 1609 S N 2.726 118.501 115.700 0.124 0.000 2.663 1609 S HA 0.301 4.771 4.470 -0.001 0.000 0.243 1609 S C 0.268 174.773 174.600 -0.159 0.000 1.009 1609 S CA -0.553 57.624 58.200 -0.038 0.000 0.988 1609 S CB -0.371 62.750 63.200 -0.133 0.000 0.896 1609 S HN 0.566 nan 8.310 nan 0.000 0.502 1610 R N -1.069 119.365 120.500 -0.110 0.000 2.664 1610 R HA 0.545 4.884 4.340 -0.001 0.000 0.266 1610 R C -1.475 174.755 176.300 -0.118 0.000 1.046 1610 R CA -0.589 55.426 56.100 -0.142 0.000 0.885 1610 R CB 0.277 30.478 30.300 -0.166 0.000 1.254 1610 R HN -0.045 nan 8.270 nan 0.000 0.465 1611 S N 1.809 117.416 115.700 -0.154 0.000 2.549 1611 S HA 0.261 4.731 4.470 -0.001 0.000 0.286 1611 S C 0.147 174.647 174.600 -0.167 0.000 1.314 1611 S CA -0.131 57.967 58.200 -0.170 0.000 1.062 1611 S CB 0.071 63.117 63.200 -0.256 0.000 0.865 1611 S HN 0.341 nan 8.310 nan 0.000 0.498 1612 I N 3.362 123.841 120.570 -0.151 0.000 2.389 1612 I HA 0.287 4.457 4.170 -0.001 0.000 0.288 1612 I C -0.179 175.796 176.117 -0.237 0.000 0.999 1612 I CA -0.928 60.266 61.300 -0.176 0.000 1.129 1612 I CB 1.554 39.464 38.000 -0.149 0.000 1.288 1612 I HN 0.327 nan 8.210 nan 0.000 0.444 1613 K N 6.159 126.386 120.400 -0.288 0.000 2.285 1613 K HA 0.354 4.673 4.320 -0.001 0.000 0.286 1613 K C -0.174 176.199 176.600 -0.378 0.000 1.072 1613 K CA -0.216 55.873 56.287 -0.331 0.000 0.913 1613 K CB 0.628 32.860 32.500 -0.446 0.000 1.067 1613 K HN 0.718 nan 8.250 nan 0.000 0.479 1614 T N 0.001 114.395 114.554 -0.266 0.000 2.919 1614 T HA 0.294 4.643 4.350 -0.001 0.000 0.282 1614 T C 0.594 175.524 174.700 0.383 0.000 1.020 1614 T CA -0.338 61.583 62.100 -0.299 0.000 0.994 1614 T CB 0.879 69.441 68.868 -0.511 0.000 1.180 1614 T HN 0.518 nan 8.240 nan 0.000 0.566 1615 D N -0.660 120.102 120.400 0.602 0.000 2.269 1615 D HA 0.316 4.956 4.640 -0.001 0.000 0.208 1615 D C 1.105 177.620 176.300 0.358 0.000 0.963 1615 D CA 0.798 55.102 54.000 0.506 0.000 0.864 1615 D CB -0.572 40.516 40.800 0.480 0.000 0.936 1615 D HN 1.161 nan 8.370 nan 0.000 0.505 1616 G N -0.855 108.131 108.800 0.310 0.000 2.353 1616 G HA2 0.315 4.274 3.960 -0.001 0.000 0.308 1616 G HA3 0.315 4.274 3.960 -0.001 0.000 0.308 1616 G C -1.668 173.382 174.900 0.250 0.000 1.418 1616 G CA -0.818 44.439 45.100 0.261 0.000 0.966 1616 G HN 0.099 nan 8.290 nan 0.000 0.638 1617 I N 0.216 120.945 120.570 0.264 0.000 2.646 1617 I HA 0.409 4.578 4.170 -0.001 0.000 0.299 1617 I C 0.769 177.055 176.117 0.282 0.000 1.036 1617 I CA -0.973 60.475 61.300 0.246 0.000 1.074 1617 I CB 2.309 40.433 38.000 0.207 0.000 1.258 1617 I HN 0.670 nan 8.210 nan 0.000 0.430 1618 K N 2.989 123.514 120.400 0.209 0.000 2.108 1618 K HA 0.410 4.729 4.320 -0.001 0.000 0.204 1618 K C 0.424 177.034 176.600 0.016 0.000 1.036 1618 K CA 0.550 56.920 56.287 0.137 0.000 0.965 1618 K CB 0.338 32.892 32.500 0.089 0.000 0.804 1618 K HN 0.714 nan 8.250 nan 0.000 0.454 1619 A N 0.900 123.726 122.820 0.010 0.000 2.515 1619 A HA 0.660 4.980 4.320 -0.001 0.000 0.296 1619 A C -1.347 176.268 177.584 0.051 0.000 1.094 1619 A CA -0.781 51.211 52.037 -0.075 0.000 0.718 1619 A CB 0.910 19.791 19.000 -0.198 0.000 1.307 1619 A HN 0.229 nan 8.150 nan 0.000 0.408 1620 F N -0.441 119.478 119.950 -0.051 0.000 2.629 1620 F HA 0.850 5.377 4.527 -0.001 0.000 0.316 1620 F C -0.234 175.532 175.800 -0.056 0.000 1.081 1620 F CA -0.941 57.040 58.000 -0.032 0.000 0.954 1620 F CB 1.872 40.861 39.000 -0.018 0.000 1.337 1620 F HN 0.517 nan 8.300 nan 0.000 0.474 1621 S N 2.297 118.119 115.700 0.203 0.000 2.667 1621 S HA 0.501 4.970 4.470 -0.001 0.000 0.304 1621 S C -1.571 173.118 174.600 0.148 0.000 1.135 1621 S CA -0.580 57.656 58.200 0.059 0.000 1.125 1621 S CB 0.805 63.982 63.200 -0.038 0.000 0.996 1621 S HN 1.073 nan 8.310 nan 0.000 0.474 1622 V N 6.947 126.988 119.914 0.212 0.000 2.353 1622 V HA 0.678 4.798 4.120 -0.001 0.000 0.264 1622 V C 0.210 176.290 176.094 -0.024 0.000 1.049 1622 V CA 0.340 62.712 62.300 0.120 0.000 0.896 1622 V CB 0.430 32.368 31.823 0.192 0.000 1.025 1622 V HN 0.996 nan 8.190 nan 0.000 0.475 1623 T N 3.489 117.985 114.554 -0.098 0.000 2.940 1623 T HA 0.880 5.230 4.350 -0.001 0.000 0.288 1623 T C -0.284 174.325 174.700 -0.153 0.000 1.033 1623 T CA 0.045 62.032 62.100 -0.189 0.000 1.033 1623 T CB 1.900 70.619 68.868 -0.248 0.000 1.079 1623 T HN 1.341 nan 8.240 nan 0.000 0.496 1624 S N 0.802 116.301 115.700 -0.335 0.000 2.587 1624 S HA 0.786 5.256 4.470 -0.001 0.000 0.269 1624 S C -1.833 172.342 174.600 -0.709 0.000 1.154 1624 S CA -0.971 57.006 58.200 -0.371 0.000 0.824 1624 S CB 0.890 63.917 63.200 -0.289 0.000 1.118 1624 S HN 0.651 nan 8.310 nan 0.000 0.462 1625 F N -0.220 119.271 119.950 -0.764 0.000 2.664 1625 F HA 0.983 5.509 4.527 -0.001 0.000 0.329 1625 F C 0.954 176.551 175.800 -0.340 0.000 1.090 1625 F CA 0.038 57.800 58.000 -0.397 0.000 0.978 1625 F CB 2.064 40.945 39.000 -0.199 0.000 1.378 1625 F HN 1.157 nan 8.300 nan 0.000 0.495 1626 G N -0.515 108.343 108.800 0.096 0.000 2.663 1626 G HA2 0.539 4.499 3.960 -0.001 0.000 0.299 1626 G HA3 0.539 4.499 3.960 -0.001 0.000 0.299 1626 G C -2.009 173.001 174.900 0.183 0.000 1.372 1626 G CA -0.769 44.437 45.100 0.178 0.000 0.781 1626 G HN 0.239 nan 8.290 nan 0.000 0.491 1627 F N 0.687 120.702 119.950 0.108 0.000 2.459 1627 F HA 0.445 4.972 4.527 -0.001 0.000 0.346 1627 F C 1.457 177.298 175.800 0.069 0.000 1.128 1627 F CA 1.343 59.405 58.000 0.102 0.000 1.268 1627 F CB 1.177 40.246 39.000 0.115 0.000 1.161 1627 F HN 1.158 nan 8.300 nan 0.000 0.583 1628 G N 2.237 111.152 108.800 0.192 0.000 2.289 1628 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.280 1628 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.280 1628 G C 0.200 175.147 174.900 0.078 0.000 1.089 1628 G CA 0.126 45.301 45.100 0.124 0.000 0.939 1628 G HN 0.813 nan 8.290 nan 0.000 0.499 1629 Q N -2.234 117.601 119.800 0.060 0.000 2.435 1629 Q HA -0.248 4.091 4.340 -0.001 0.000 0.286 1629 Q C 0.683 176.711 176.000 0.047 0.000 1.229 1629 Q CA 1.645 57.479 55.803 0.053 0.000 0.884 1629 Q CB -0.534 28.227 28.738 0.040 0.000 1.245 1629 Q HN 0.670 nan 8.270 nan 0.000 0.488 1630 K N 0.687 121.117 120.400 0.051 0.000 2.263 1630 K HA 0.439 4.759 4.320 -0.001 0.000 0.282 1630 K C -0.043 176.529 176.600 -0.048 0.000 1.089 1630 K CA 0.247 56.539 56.287 0.009 0.000 0.907 1630 K CB 0.968 33.485 32.500 0.028 0.000 1.148 1630 K HN 0.281 nan 8.250 nan 0.000 0.470 1631 G N 1.844 110.569 108.800 -0.124 0.000 2.626 1631 G HA2 0.709 4.669 3.960 -0.001 0.000 0.304 1631 G HA3 0.709 4.669 3.960 -0.001 0.000 0.304 1631 G C -1.441 173.249 174.900 -0.349 0.000 1.385 1631 G CA -0.616 44.276 45.100 -0.346 0.000 0.957 1631 G HN 0.634 nan 8.290 nan 0.000 0.504 1632 A N 2.309 124.863 122.820 -0.444 0.000 2.422 1632 A HA 0.848 5.167 4.320 -0.001 0.000 0.302 1632 A C -0.682 176.709 177.584 -0.322 0.000 1.041 1632 A CA -0.661 51.196 52.037 -0.300 0.000 0.708 1632 A CB 2.135 21.012 19.000 -0.205 0.000 1.257 1632 A HN 0.714 nan 8.150 nan 0.000 0.414 1633 Q N 1.121 120.775 119.800 -0.243 0.000 2.372 1633 Q HA 0.747 5.087 4.340 -0.001 0.000 0.273 1633 Q C -1.201 174.695 176.000 -0.174 0.000 1.078 1633 Q CA -0.704 54.970 55.803 -0.216 0.000 0.806 1633 Q CB 2.268 30.876 28.738 -0.217 0.000 1.332 1633 Q HN 1.310 nan 8.270 nan 0.000 0.435 1634 A N 3.961 126.690 122.820 -0.152 0.000 2.435 1634 A HA 0.730 5.050 4.320 -0.001 0.000 0.304 1634 A C -1.297 176.157 177.584 -0.217 0.000 1.064 1634 A CA -0.659 51.275 52.037 -0.171 0.000 0.727 1634 A CB 1.287 20.215 19.000 -0.121 0.000 1.284 1634 A HN 0.642 nan 8.150 nan 0.000 0.415 1635 I N 1.761 122.144 120.570 -0.313 0.000 2.433 1635 I HA 0.553 4.722 4.170 -0.001 0.000 0.292 1635 I C 0.570 176.296 176.117 -0.652 0.000 1.001 1635 I CA -0.206 60.818 61.300 -0.460 0.000 1.119 1635 I CB 1.150 38.946 38.000 -0.340 0.000 1.289 1635 I HN 0.761 nan 8.210 nan 0.000 0.438 1636 G N 4.946 112.987 108.800 -1.266 0.000 2.448 1636 G HA2 0.642 4.601 3.960 -0.001 0.000 0.324 1636 G HA3 0.642 4.601 3.960 -0.001 0.000 0.324 1636 G C -1.282 173.155 174.900 -0.772 0.000 1.203 1636 G CA -0.410 43.993 45.100 -1.161 0.000 0.954 1636 G HN 0.321 nan 8.290 nan 0.000 0.480 1637 V N 2.443 122.080 119.914 -0.462 0.000 2.588 1637 V HA 0.288 4.407 4.120 -0.001 0.000 0.304 1637 V C -0.098 175.853 176.094 -0.237 0.000 1.042 1637 V CA -1.053 61.003 62.300 -0.407 0.000 0.877 1637 V CB 1.594 33.035 31.823 -0.636 0.000 0.996 1637 V HN 0.872 nan 8.190 nan 0.000 0.425 1638 H N 6.846 125.814 119.070 -0.170 0.000 3.064 1638 H HA 0.021 4.577 4.556 -0.001 0.000 0.329 1638 H C -1.763 173.572 175.328 0.012 0.000 1.020 1638 H CA -0.796 55.265 56.048 0.022 0.000 1.402 1638 H CB 1.658 31.523 29.762 0.172 0.000 1.379 1638 H HN 0.350 nan 8.280 nan 0.000 0.594 1639 P HA -0.243 nan 4.420 nan 0.000 0.216 1639 P C 1.450 178.852 177.300 0.171 0.000 1.154 1639 P CA 2.785 65.933 63.100 0.081 0.000 0.865 1639 P CB 0.071 31.902 31.700 0.219 0.000 0.789 1640 K N -1.019 119.748 120.400 0.611 0.000 2.077 1640 K HA -0.259 4.060 4.320 -0.001 0.000 0.213 1640 K C 1.830 178.560 176.600 0.216 0.000 1.051 1640 K CA 1.982 58.511 56.287 0.402 0.000 0.929 1640 K CB -1.659 30.859 32.500 0.030 0.000 0.715 1640 K HN 0.104 nan 8.250 nan 0.000 0.451 1641 Y N 0.987 121.324 120.300 0.062 0.000 2.315 1641 Y HA -0.139 4.410 4.550 -0.001 0.000 0.288 1641 Y C 2.320 178.356 175.900 0.225 0.000 1.154 1641 Y CA 1.108 59.284 58.100 0.127 0.000 1.229 1641 Y CB -0.447 38.070 38.460 0.095 0.000 0.980 1641 Y HN 0.139 nan 8.280 nan 0.000 0.540 1642 L N -1.239 120.016 121.223 0.053 0.000 2.027 1642 L HA -0.149 4.191 4.340 -0.001 0.000 0.206 1642 L C 1.847 178.795 176.870 0.131 0.000 1.074 1642 L CA 1.647 56.549 54.840 0.103 0.000 0.745 1642 L CB -0.760 41.090 42.059 -0.348 0.000 0.898 1642 L HN 0.037 nan 8.230 nan 0.000 0.433 1643 F N 0.518 120.604 119.950 0.226 0.000 2.333 1643 F HA -0.052 4.475 4.527 -0.001 0.000 0.300 1643 F C 2.392 178.310 175.800 0.197 0.000 1.083 1643 F CA 0.704 58.828 58.000 0.205 0.000 1.395 1643 F CB -1.411 37.682 39.000 0.155 0.000 1.056 1643 F HN 0.205 nan 8.300 nan 0.000 0.529 1644 A N -0.997 122.009 122.820 0.310 0.000 2.250 1644 A HA 0.050 4.369 4.320 -0.001 0.000 0.208 1644 A C 1.820 179.536 177.584 0.220 0.000 1.254 1644 A CA 1.130 53.292 52.037 0.209 0.000 0.858 1644 A CB -1.036 18.006 19.000 0.070 0.000 0.820 1644 A HN 0.284 nan 8.150 nan 0.000 0.484 1645 T N -0.209 114.497 114.554 0.254 0.000 3.014 1645 T HA 0.297 4.646 4.350 -0.001 0.000 0.250 1645 T C 0.814 175.621 174.700 0.178 0.000 1.060 1645 T CA 0.165 62.376 62.100 0.184 0.000 1.040 1645 T CB -0.144 68.826 68.868 0.171 0.000 0.971 1645 T HN 0.384 nan 8.240 nan 0.000 0.497 1646 L N 0.359 121.723 121.223 0.236 0.000 2.874 1646 L HA 0.591 4.930 4.340 -0.001 0.000 0.229 1646 L C -0.329 176.652 176.870 0.185 0.000 1.200 1646 L CA -1.264 53.690 54.840 0.191 0.000 0.976 1646 L CB 0.331 42.516 42.059 0.209 0.000 1.887 1646 L HN -0.054 nan 8.230 nan 0.000 0.543 1647 D N -0.981 119.465 120.400 0.077 0.000 2.269 1647 D HA 0.154 4.793 4.640 -0.001 0.000 0.244 1647 D C 0.300 176.385 176.300 -0.360 0.000 0.992 1647 D CA -0.617 53.378 54.000 -0.008 0.000 0.894 1647 D CB 2.195 42.994 40.800 -0.002 0.000 1.248 1647 D HN 0.397 nan 8.370 nan 0.000 0.468 1648 K N 0.965 120.896 120.400 -0.783 0.000 2.228 1648 K HA -0.240 4.079 4.320 -0.001 0.000 0.205 1648 K C 1.548 177.837 176.600 -0.520 0.000 1.045 1648 K CA 1.436 56.929 56.287 -1.322 0.000 0.931 1648 K CB -0.033 31.752 32.500 -1.191 0.000 0.727 1648 K HN 0.458 nan 8.250 nan 0.000 0.458 1649 A N 1.425 124.083 122.820 -0.269 0.000 1.852 1649 A HA -0.299 4.020 4.320 -0.001 0.000 0.217 1649 A C 2.087 179.612 177.584 -0.097 0.000 1.215 1649 A CA 2.103 54.062 52.037 -0.131 0.000 0.641 1649 A CB -0.850 18.113 19.000 -0.061 0.000 0.838 1649 A HN 0.568 nan 8.150 nan 0.000 0.450 1650 Q N -2.153 117.614 119.800 -0.054 0.000 1.993 1650 Q HA -0.200 4.140 4.340 -0.001 0.000 0.202 1650 Q C 2.139 178.159 176.000 0.033 0.000 0.984 1650 Q CA 1.751 57.560 55.803 0.010 0.000 0.837 1650 Q CB -0.525 28.243 28.738 0.050 0.000 0.902 1650 Q HN 0.772 nan 8.270 nan 0.000 0.423 1651 Y N 1.855 122.089 120.300 -0.110 0.000 2.139 1651 Y HA -0.304 4.245 4.550 -0.001 0.000 0.282 1651 Y C 2.031 177.898 175.900 -0.054 0.000 1.179 1651 Y CA 2.071 60.130 58.100 -0.069 0.000 1.161 1651 Y CB -0.024 38.329 38.460 -0.178 0.000 0.970 1651 Y HN 0.123 nan 8.280 nan 0.000 0.511 1652 E N -0.747 119.361 120.200 -0.155 0.000 2.427 1652 E HA 0.003 4.352 4.350 -0.001 0.000 0.196 1652 E C 1.962 178.468 176.600 -0.158 0.000 1.028 1652 E CA 0.528 56.809 56.400 -0.197 0.000 0.864 1652 E CB -0.106 29.509 29.700 -0.142 0.000 0.813 1652 E HN 0.581 nan 8.360 nan 0.000 0.514 1653 A N -0.074 122.687 122.820 -0.098 0.000 1.984 1653 A HA -0.093 4.227 4.320 -0.001 0.000 0.214 1653 A C 1.826 179.387 177.584 -0.039 0.000 1.173 1653 A CA 0.502 52.506 52.037 -0.055 0.000 0.673 1653 A CB -0.467 18.523 19.000 -0.016 0.000 0.830 1653 A HN 0.506 nan 8.150 nan 0.000 0.453 1654 Y N -0.040 120.161 120.300 -0.165 0.000 2.220 1654 Y HA -0.208 4.341 4.550 -0.001 0.000 0.291 1654 Y C 2.267 178.033 175.900 -0.225 0.000 1.129 1654 Y CA 1.519 59.525 58.100 -0.158 0.000 1.161 1654 Y CB -0.786 37.599 38.460 -0.125 0.000 0.997 1654 Y HN 0.298 nan 8.280 nan 0.000 0.522 1655 C N -0.117 118.900 119.300 -0.471 0.000 2.409 1655 C HA -0.135 4.325 4.460 -0.001 0.000 0.284 1655 C C 2.635 177.408 174.990 -0.362 0.000 1.354 1655 C CA 1.199 59.885 59.018 -0.554 0.000 1.787 1655 C CB -1.287 26.146 27.740 -0.513 0.000 1.900 1655 C HN 0.567 nan 8.230 nan 0.000 0.520 1656 V N 0.302 120.059 119.914 -0.261 0.000 2.599 1656 V HA -0.101 4.019 4.120 -0.001 0.000 0.245 1656 V C 2.333 178.332 176.094 -0.159 0.000 1.046 1656 V CA 1.374 63.572 62.300 -0.170 0.000 1.065 1656 V CB -0.513 31.242 31.823 -0.112 0.000 0.703 1656 V HN 0.520 nan 8.190 nan 0.000 0.464 1657 K N 0.310 120.601 120.400 -0.182 0.000 2.026 1657 K HA -0.122 4.198 4.320 -0.001 0.000 0.208 1657 K C 2.164 178.668 176.600 -0.160 0.000 1.048 1657 K CA 1.379 57.584 56.287 -0.138 0.000 0.929 1657 K CB -0.501 31.933 32.500 -0.110 0.000 0.713 1657 K HN 0.296 nan 8.250 nan 0.000 0.439 1658 V N 1.997 121.724 119.914 -0.313 0.000 2.252 1658 V HA -0.318 3.802 4.120 -0.001 0.000 0.249 1658 V C 2.185 178.272 176.094 -0.011 0.000 1.056 1658 V CA 1.924 64.088 62.300 -0.226 0.000 1.022 1658 V CB -0.504 31.053 31.823 -0.444 0.000 0.641 1658 V HN 0.389 nan 8.190 nan 0.000 0.445 1659 Q N -0.791 118.961 119.800 -0.080 0.000 2.369 1659 Q HA -0.017 4.322 4.340 -0.001 0.000 0.206 1659 Q C 2.237 178.199 176.000 -0.062 0.000 0.963 1659 Q CA 1.198 56.965 55.803 -0.060 0.000 0.894 1659 Q CB -0.295 28.390 28.738 -0.089 0.000 0.965 1659 Q HN 0.711 nan 8.270 nan 0.000 0.475 1660 A N 1.040 123.830 122.820 -0.050 0.000 1.897 1660 A HA -0.134 4.186 4.320 -0.001 0.000 0.215 1660 A C 1.964 179.542 177.584 -0.010 0.000 1.181 1660 A CA 0.874 52.889 52.037 -0.037 0.000 0.620 1660 A CB -0.212 18.768 19.000 -0.033 0.000 0.821 1660 A HN 0.154 nan 8.150 nan 0.000 0.443 1661 R N -0.832 119.689 120.500 0.035 0.000 2.080 1661 R HA -0.168 4.171 4.340 -0.001 0.000 0.236 1661 R C 2.459 178.810 176.300 0.085 0.000 1.137 1661 R CA 1.517 57.679 56.100 0.104 0.000 0.943 1661 R CB -0.386 30.032 30.300 0.197 0.000 0.846 1661 R HN 0.619 nan 8.270 nan 0.000 0.431 1662 Q N 1.265 121.066 119.800 0.001 0.000 2.308 1662 Q HA -0.201 4.138 4.340 -0.001 0.000 0.209 1662 Q C 1.244 177.087 176.000 -0.262 0.000 0.985 1662 Q CA 1.703 57.164 55.803 -0.570 0.000 0.881 1662 Q CB 0.106 28.382 28.738 -0.770 0.000 0.917 1662 Q HN 0.287 nan 8.270 nan 0.000 0.443 1663 K N -0.606 119.727 120.400 -0.112 0.000 2.262 1663 K HA 0.011 4.330 4.320 -0.001 0.000 0.200 1663 K C 2.098 178.727 176.600 0.049 0.000 1.049 1663 K CA 0.488 56.749 56.287 -0.042 0.000 0.979 1663 K CB 0.290 32.746 32.500 -0.073 0.000 0.773 1663 K HN 0.035 nan 8.250 nan 0.000 0.474 1664 K N 0.663 121.077 120.400 0.024 0.000 2.031 1664 K HA -0.023 4.296 4.320 -0.001 0.000 0.205 1664 K C 2.148 178.790 176.600 0.070 0.000 1.049 1664 K CA 1.199 57.508 56.287 0.037 0.000 0.939 1664 K CB -0.085 32.413 32.500 -0.003 0.000 0.717 1664 K HN 0.073 nan 8.250 nan 0.000 0.438 1665 A N 0.784 123.625 122.820 0.034 0.000 1.883 1665 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 1665 A C 2.102 179.659 177.584 -0.045 0.000 1.186 1665 A CA 1.552 53.579 52.037 -0.018 0.000 0.624 1665 A CB -0.897 18.043 19.000 -0.100 0.000 0.822 1665 A HN 0.476 nan 8.150 nan 0.000 0.444 1666 Y N 0.441 120.664 120.300 -0.127 0.000 2.128 1666 Y HA -0.262 4.288 4.550 -0.001 0.000 0.284 1666 Y C 2.540 178.547 175.900 0.180 0.000 1.154 1666 Y CA 2.373 60.491 58.100 0.029 0.000 1.149 1666 Y CB -0.299 38.164 38.460 0.006 0.000 0.976 1666 Y HN 0.332 nan 8.280 nan 0.000 0.505 1667 R N -0.674 119.979 120.500 0.256 0.000 2.073 1667 R HA -0.216 4.124 4.340 -0.001 0.000 0.234 1667 R C 2.161 178.562 176.300 0.168 0.000 1.134 1667 R CA 1.871 58.078 56.100 0.178 0.000 0.952 1667 R CB -0.866 29.539 30.300 0.175 0.000 0.850 1667 R HN 0.422 nan 8.270 nan 0.000 0.433 1668 F N 0.884 120.838 119.950 0.006 0.000 2.069 1668 F HA -0.200 4.326 4.527 -0.001 0.000 0.298 1668 F C 1.942 177.738 175.800 -0.007 0.000 1.113 1668 F CA 1.402 59.398 58.000 -0.006 0.000 1.214 1668 F CB -1.078 37.915 39.000 -0.012 0.000 0.978 1668 F HN 0.073 nan 8.300 nan 0.000 0.474 1669 F N 0.420 120.260 119.950 -0.183 0.000 2.091 1669 F HA -0.291 4.236 4.527 -0.001 0.000 0.299 1669 F C 2.815 178.404 175.800 -0.353 0.000 1.103 1669 F CA 2.405 60.224 58.000 -0.301 0.000 1.228 1669 F CB -0.752 38.146 39.000 -0.169 0.000 0.984 1669 F HN 0.076 nan 8.300 nan 0.000 0.477 1670 H N -0.706 118.249 119.070 -0.193 0.000 2.363 1670 H HA -0.115 4.440 4.556 -0.001 0.000 0.301 1670 H C 1.985 177.128 175.328 -0.308 0.000 1.074 1670 H CA 1.485 57.349 56.048 -0.306 0.000 1.354 1670 H CB -0.625 28.960 29.762 -0.295 0.000 1.397 1670 H HN 0.338 nan 8.280 nan 0.000 0.516 1671 N N 0.870 119.509 118.700 -0.102 0.000 2.149 1671 N HA -0.112 4.627 4.740 -0.001 0.000 0.188 1671 N C 2.186 177.582 175.510 -0.190 0.000 1.019 1671 N CA 1.643 54.636 53.050 -0.095 0.000 0.857 1671 N CB -0.500 37.996 38.487 0.015 0.000 0.997 1671 N HN 0.274 nan 8.380 nan 0.000 0.426 1672 G N 0.415 108.997 108.800 -0.363 0.000 2.394 1672 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.215 1672 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.215 1672 G C 1.567 176.239 174.900 -0.379 0.000 1.165 1672 G CA 0.361 45.212 45.100 -0.415 0.000 0.784 1672 G HN 0.309 nan 8.290 nan 0.000 0.535 1673 L N 0.065 120.895 121.223 -0.654 0.000 2.042 1673 L HA -0.067 4.272 4.340 -0.001 0.000 0.210 1673 L C 2.870 179.606 176.870 -0.223 0.000 1.076 1673 L CA 1.108 55.471 54.840 -0.795 0.000 0.749 1673 L CB -0.295 41.102 42.059 -1.103 0.000 0.893 1673 L HN 0.256 nan 8.230 nan 0.000 0.432 1674 I N -0.335 120.136 120.570 -0.165 0.000 2.233 1674 I HA -0.248 3.921 4.170 -0.001 0.000 0.243 1674 I C 1.521 177.670 176.117 0.053 0.000 1.093 1674 I CA 1.146 62.432 61.300 -0.023 0.000 1.380 1674 I CB -0.156 37.769 38.000 -0.126 0.000 1.067 1674 I HN 0.285 nan 8.210 nan 0.000 0.413 1675 N N 0.724 119.422 118.700 -0.003 0.000 2.280 1675 N HA 0.027 4.766 4.740 -0.001 0.000 0.192 1675 N C -0.393 175.142 175.510 0.041 0.000 1.109 1675 N CA 0.176 53.237 53.050 0.018 0.000 0.855 1675 N CB -0.036 38.448 38.487 -0.005 0.000 0.974 1675 N HN 0.155 nan 8.380 nan 0.000 0.482 1676 N N 0.289 119.034 118.700 0.075 0.000 2.780 1676 N HA -0.175 4.564 4.740 -0.001 0.000 0.247 1676 N C -0.625 174.929 175.510 0.073 0.000 1.076 1676 N CA 0.598 53.709 53.050 0.101 0.000 0.688 1676 N CB -1.122 37.395 38.487 0.051 0.000 0.957 1676 N HN 0.355 nan 8.380 nan 0.000 0.551 1677 K N 0.499 120.916 120.400 0.028 0.000 3.278 1677 K HA 0.324 4.643 4.320 -0.001 0.000 0.200 1677 K C 1.292 177.856 176.600 -0.060 0.000 1.107 1677 K CA -0.293 56.020 56.287 0.042 0.000 0.923 1677 K CB 0.507 33.038 32.500 0.051 0.000 0.787 1677 K HN 0.079 nan 8.250 nan 0.000 0.481 1678 L N 0.286 121.503 121.223 -0.011 0.000 2.376 1678 L HA 0.069 4.408 4.340 -0.001 0.000 0.219 1678 L C 0.244 177.212 176.870 0.163 0.000 1.133 1678 L CA 1.058 55.868 54.840 -0.050 0.000 0.816 1678 L CB -0.095 42.062 42.059 0.164 0.000 0.933 1678 L HN 0.266 nan 8.230 nan 0.000 0.449 1679 F N 0.288 120.302 119.950 0.106 0.000 2.460 1679 F HA 0.433 4.959 4.527 -0.001 0.000 0.341 1679 F C -0.511 175.360 175.800 0.117 0.000 1.130 1679 F CA -0.649 57.427 58.000 0.127 0.000 0.962 1679 F CB 1.436 40.510 39.000 0.122 0.000 1.171 1679 F HN -0.451 nan 8.300 nan 0.000 0.436 1680 V N 6.326 126.190 119.914 -0.084 0.000 2.357 1680 V HA 0.581 4.701 4.120 -0.001 0.000 0.284 1680 V C 0.045 176.050 176.094 -0.148 0.000 1.018 1680 V CA -0.774 61.531 62.300 0.008 0.000 0.841 1680 V CB 1.226 33.078 31.823 0.049 0.000 0.991 1680 V HN 0.902 nan 8.190 nan 0.000 0.437 1681 A N 6.212 129.100 122.820 0.113 0.000 2.409 1681 A HA 0.478 4.797 4.320 -0.001 0.000 0.267 1681 A C 0.282 177.901 177.584 0.059 0.000 1.127 1681 A CA -0.318 51.816 52.037 0.160 0.000 0.795 1681 A CB 0.146 19.335 19.000 0.316 0.000 1.061 1681 A HN 0.618 nan 8.150 nan 0.000 0.502 1682 K N 2.187 122.597 120.400 0.016 0.000 2.322 1682 K HA 0.139 4.458 4.320 -0.001 0.000 0.283 1682 K C -0.155 176.495 176.600 0.083 0.000 1.042 1682 K CA -0.174 56.118 56.287 0.010 0.000 0.958 1682 K CB 1.212 33.678 32.500 -0.055 0.000 0.984 1682 K HN 0.727 nan 8.250 nan 0.000 0.473 1683 D N 1.425 121.875 120.400 0.083 0.000 2.429 1683 D HA 0.002 4.641 4.640 -0.001 0.000 0.242 1683 D C 0.177 176.529 176.300 0.087 0.000 1.076 1683 D CA 0.935 54.987 54.000 0.087 0.000 0.955 1683 D CB 0.287 41.131 40.800 0.073 0.000 1.076 1683 D HN 0.161 nan 8.370 nan 0.000 0.448 1684 K N 1.137 121.587 120.400 0.083 0.000 2.154 1684 K HA 0.550 4.869 4.320 -0.001 0.000 0.264 1684 K C -0.098 176.553 176.600 0.085 0.000 1.008 1684 K CA -0.386 55.935 56.287 0.057 0.000 0.937 1684 K CB 1.452 33.975 32.500 0.038 0.000 1.002 1684 K HN 0.063 nan 8.250 nan 0.000 0.469 1685 A N 3.635 126.435 122.820 -0.034 0.000 2.310 1685 A HA 0.271 4.590 4.320 -0.001 0.000 0.260 1685 A C -1.511 175.933 177.584 -0.233 0.000 1.112 1685 A CA -0.802 51.154 52.037 -0.135 0.000 0.804 1685 A CB -0.425 18.294 19.000 -0.469 0.000 1.081 1685 A HN 0.462 nan 8.150 nan 0.000 0.499 1686 P HA -0.022 nan 4.420 nan 0.000 0.216 1686 P C -0.340 177.017 177.300 0.094 0.000 1.153 1686 P CA 1.252 64.192 63.100 -0.266 0.000 0.844 1686 P CB -0.175 31.363 31.700 -0.270 0.000 0.787 1687 Y N -0.883 119.554 120.300 0.229 0.000 2.323 1687 Y HA 0.496 5.045 4.550 -0.001 0.000 0.331 1687 Y C 0.482 176.424 175.900 0.069 0.000 1.092 1687 Y CA -1.792 56.402 58.100 0.157 0.000 1.150 1687 Y CB 0.106 38.544 38.460 -0.036 0.000 1.200 1687 Y HN -0.177 nan 8.280 nan 0.000 0.472 1688 E N 2.252 122.548 120.200 0.159 0.000 2.438 1688 E HA -0.094 4.255 4.350 -0.001 0.000 0.261 1688 E C 0.058 176.733 176.600 0.125 0.000 1.103 1688 E CA 0.014 56.466 56.400 0.088 0.000 0.959 1688 E CB 0.561 30.306 29.700 0.076 0.000 0.958 1688 E HN 0.717 nan 8.360 nan 0.000 0.447 1689 D N 1.565 122.007 120.400 0.069 0.000 2.117 1689 D HA -0.180 4.459 4.640 -0.001 0.000 0.197 1689 D C 1.992 178.323 176.300 0.052 0.000 0.987 1689 D CA 1.280 55.322 54.000 0.070 0.000 0.829 1689 D CB -0.125 40.690 40.800 0.025 0.000 0.961 1689 D HN 0.489 nan 8.370 nan 0.000 0.460 1690 R N 1.052 121.572 120.500 0.035 0.000 2.159 1690 R HA -0.092 4.248 4.340 -0.001 0.000 0.237 1690 R C 2.084 178.384 176.300 0.000 0.000 1.131 1690 R CA 1.228 57.335 56.100 0.010 0.000 0.982 1690 R CB -0.615 29.692 30.300 0.012 0.000 0.868 1690 R HN 0.231 nan 8.270 nan 0.000 0.453 1691 I N 0.760 121.346 120.570 0.026 0.000 3.030 1691 I HA -0.074 4.095 4.170 -0.001 0.000 0.270 1691 I C 2.672 178.734 176.117 -0.091 0.000 1.211 1691 I CA 0.446 61.741 61.300 -0.009 0.000 1.479 1691 I CB -0.446 37.572 38.000 0.031 0.000 1.105 1691 I HN 0.277 nan 8.210 nan 0.000 0.447 1692 Q N 1.641 121.393 119.800 -0.081 0.000 2.082 1692 Q HA -0.287 4.052 4.340 -0.001 0.000 0.211 1692 Q C 2.258 178.022 176.000 -0.394 0.000 1.002 1692 Q CA 2.822 58.447 55.803 -0.296 0.000 0.868 1692 Q CB -0.076 28.528 28.738 -0.223 0.000 0.931 1692 Q HN 0.444 nan 8.270 nan 0.000 0.414 1693 S N 0.155 115.673 115.700 -0.304 0.000 2.383 1693 S HA -0.157 4.312 4.470 -0.001 0.000 0.229 1693 S C 1.727 176.258 174.600 -0.115 0.000 1.030 1693 S CA 1.514 59.568 58.200 -0.243 0.000 1.002 1693 S CB -0.128 62.972 63.200 -0.167 0.000 0.829 1693 S HN 0.350 nan 8.310 nan 0.000 0.467 1694 K N 0.590 120.926 120.400 -0.107 0.000 2.001 1694 K HA -0.042 4.277 4.320 -0.001 0.000 0.208 1694 K C 2.089 178.642 176.600 -0.078 0.000 1.048 1694 K CA 1.375 57.618 56.287 -0.073 0.000 0.932 1694 K CB -0.472 31.991 32.500 -0.062 0.000 0.715 1694 K HN 0.201 nan 8.250 nan 0.000 0.437 1695 V N 1.042 120.857 119.914 -0.166 0.000 2.332 1695 V HA -0.244 3.876 4.120 -0.001 0.000 0.248 1695 V C 1.997 178.017 176.094 -0.124 0.000 1.055 1695 V CA 1.765 63.891 62.300 -0.290 0.000 1.038 1695 V CB -0.684 30.672 31.823 -0.778 0.000 0.651 1695 V HN 0.223 nan 8.190 nan 0.000 0.450 1696 F N -0.810 118.933 119.950 -0.344 0.000 2.408 1696 F HA -0.057 4.470 4.527 -0.001 0.000 0.300 1696 F C 1.926 177.699 175.800 -0.046 0.000 1.090 1696 F CA 1.025 58.905 58.000 -0.199 0.000 1.427 1696 F CB 0.022 38.893 39.000 -0.214 0.000 1.070 1696 F HN 0.121 nan 8.300 nan 0.000 0.549 1697 L N -1.594 119.681 121.223 0.085 0.000 2.642 1697 L HA 0.093 4.432 4.340 -0.001 0.000 0.233 1697 L C 0.473 177.314 176.870 -0.048 0.000 1.077 1697 L CA -0.088 54.764 54.840 0.020 0.000 0.879 1697 L CB -0.008 42.055 42.059 0.008 0.000 1.151 1697 L HN -0.144 nan 8.230 nan 0.000 0.495 1698 N N 1.736 120.402 118.700 -0.057 0.000 2.482 1698 N HA 0.109 4.849 4.740 -0.001 0.000 0.242 1698 N C -2.067 173.304 175.510 -0.232 0.000 1.100 1698 N CA -1.945 51.049 53.050 -0.094 0.000 0.946 1698 N CB 1.096 39.556 38.487 -0.046 0.000 1.227 1698 N HN -0.099 nan 8.380 nan 0.000 0.508 1699 P HA 0.002 nan 4.420 nan 0.000 0.251 1699 P C 0.115 177.178 177.300 -0.394 0.000 1.251 1699 P CA 0.924 63.648 63.100 -0.626 0.000 0.763 1699 P CB 0.264 31.769 31.700 -0.325 0.000 1.067 1700 Q N -1.929 117.763 119.800 -0.179 0.000 2.126 1700 Q HA 0.095 4.434 4.340 -0.001 0.000 0.233 1700 Q C 0.139 176.184 176.000 0.076 0.000 0.788 1700 Q CA -0.032 55.757 55.803 -0.024 0.000 0.968 1700 Q CB 0.549 29.278 28.738 -0.015 0.000 1.163 1700 Q HN 0.175 nan 8.270 nan 0.000 0.471 1701 S N 1.299 117.057 115.700 0.097 0.000 2.544 1701 S HA 0.247 4.716 4.470 -0.001 0.000 0.290 1701 S C -0.085 174.741 174.600 0.377 0.000 1.276 1701 S CA -0.106 58.213 58.200 0.198 0.000 1.075 1701 S CB 0.624 63.900 63.200 0.128 0.000 0.849 1701 S HN 0.156 nan 8.310 nan 0.000 0.494 1702 R N 1.655 122.346 120.500 0.318 0.000 2.771 1702 R HA 0.516 4.855 4.340 -0.001 0.000 0.274 1702 R C -1.202 175.090 176.300 -0.012 0.000 0.987 1702 R CA -1.011 55.225 56.100 0.227 0.000 0.908 1702 R CB 1.866 32.243 30.300 0.128 0.000 1.213 1702 R HN 0.522 nan 8.270 nan 0.000 0.468 1703 V N 2.146 121.851 119.914 -0.349 0.000 2.637 1703 V HA 0.093 4.213 4.120 -0.001 0.000 0.296 1703 V C 0.509 176.471 176.094 -0.220 0.000 1.046 1703 V CA 0.418 62.414 62.300 -0.506 0.000 1.066 1703 V CB 1.264 32.708 31.823 -0.631 0.000 0.968 1703 V HN 0.912 nan 8.190 nan 0.000 0.483 1704 T N 2.920 117.381 114.554 -0.156 0.000 2.895 1704 T HA 0.522 4.872 4.350 -0.001 0.000 0.283 1704 T C -0.333 174.318 174.700 -0.081 0.000 1.014 1704 T CA -0.785 61.260 62.100 -0.093 0.000 1.037 1704 T CB 1.568 70.409 68.868 -0.045 0.000 1.006 1704 T HN 0.548 nan 8.240 nan 0.000 0.468 1705 Q N 1.216 120.977 119.800 -0.065 0.000 2.349 1705 Q HA 0.226 4.565 4.340 -0.001 0.000 0.287 1705 Q C -0.093 175.889 176.000 -0.030 0.000 1.044 1705 Q CA 0.818 56.594 55.803 -0.046 0.000 0.918 1705 Q CB 0.355 29.069 28.738 -0.041 0.000 1.242 1705 Q HN 0.775 nan 8.270 nan 0.000 0.405 1706 E N 0.376 120.565 120.200 -0.019 0.000 2.447 1706 E HA 0.269 4.618 4.350 -0.001 0.000 0.251 1706 E C 0.351 176.949 176.600 -0.003 0.000 0.910 1706 E CA 0.115 56.511 56.400 -0.008 0.000 0.841 1706 E CB 1.324 31.023 29.700 -0.001 0.000 1.403 1706 E HN 0.748 nan 8.360 nan 0.000 0.400 1707 S N -0.193 115.508 115.700 0.002 0.000 2.515 1707 S HA -0.115 4.354 4.470 -0.001 0.000 0.231 1707 S C 1.006 175.608 174.600 0.003 0.000 0.987 1707 S CA 1.066 59.267 58.200 0.002 0.000 0.936 1707 S CB -0.415 62.788 63.200 0.005 0.000 0.766 1707 S HN 0.470 nan 8.310 nan 0.000 0.528 1708 N N 0.525 119.228 118.700 0.006 0.000 2.294 1708 N HA 0.365 5.104 4.740 -0.001 0.000 0.186 1708 N C 1.146 176.658 175.510 0.003 0.000 1.107 1708 N CA 0.578 53.632 53.050 0.007 0.000 0.884 1708 N CB -0.095 38.400 38.487 0.013 0.000 1.030 1708 N HN 0.481 nan 8.380 nan 0.000 0.482 1709 G N -0.738 108.062 108.800 -0.000 0.000 2.192 1709 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.193 1709 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.193 1709 G C -0.665 174.234 174.900 -0.002 0.000 0.999 1709 G CA -0.418 44.678 45.100 -0.008 0.000 0.659 1709 G HN 0.304 nan 8.290 nan 0.000 0.503 1710 E N 0.541 120.749 120.200 0.012 0.000 2.249 1710 E HA 0.449 4.799 4.350 -0.001 0.000 0.280 1710 E C 0.423 177.041 176.600 0.030 0.000 1.016 1710 E CA -0.615 55.807 56.400 0.037 0.000 0.830 1710 E CB 1.189 30.920 29.700 0.051 0.000 1.081 1710 E HN 0.272 nan 8.360 nan 0.000 0.395 1711 L N 4.157 125.419 121.223 0.065 0.000 2.315 1711 L HA 0.255 4.594 4.340 -0.001 0.000 0.283 1711 L C 0.444 177.263 176.870 -0.085 0.000 1.089 1711 L CA 0.265 55.106 54.840 0.002 0.000 0.833 1711 L CB -0.125 41.971 42.059 0.062 0.000 1.170 1711 L HN 0.266 nan 8.230 nan 0.000 0.442 1712 K N 2.974 123.295 120.400 -0.133 0.000 2.395 1712 K HA 0.537 4.856 4.320 -0.001 0.000 0.247 1712 K C -0.976 175.502 176.600 -0.203 0.000 0.973 1712 K CA -0.918 55.290 56.287 -0.132 0.000 0.828 1712 K CB 2.399 34.894 32.500 -0.008 0.000 1.272 1712 K HN 0.081 nan 8.250 nan 0.000 0.439 1713 F N 2.184 122.130 119.950 -0.006 0.000 2.429 1713 F HA 0.230 4.757 4.527 -0.001 0.000 0.348 1713 F C -1.667 174.150 175.800 0.028 0.000 1.109 1713 F CA -1.445 56.569 58.000 0.024 0.000 1.232 1713 F CB 0.292 39.331 39.000 0.065 0.000 1.157 1713 F HN 0.238 nan 8.300 nan 0.000 0.564 1714 P HA 0.416 nan 4.420 nan 0.000 0.287 1714 P C -0.975 176.392 177.300 0.111 0.000 1.270 1714 P CA -0.608 62.559 63.100 0.111 0.000 0.844 1714 P CB 1.117 32.861 31.700 0.073 0.000 1.068 1715 A N 0.000 122.867 122.820 0.078 0.000 2.254 1715 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 1715 A CA 0.000 52.074 52.037 0.062 0.000 0.836 1715 A CB 0.000 19.029 19.000 0.048 0.000 0.831 1715 A HN 0.000 nan 8.150 nan 0.000 0.486