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_A 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 KDVIRALAMX XXXXXXXXXX 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 0.909 121.413 120.500 0.007 0.000 2.347 2 R HA 0.226 4.565 4.340 -0.001 0.000 0.304 2 R C -1.699 174.605 176.300 0.007 0.000 1.072 2 R CA -1.324 54.779 56.100 0.006 0.000 0.980 2 R CB 0.430 30.732 30.300 0.004 0.000 0.986 2 R HN -0.091 nan 8.270 nan 0.000 0.448 3 P HA -0.187 nan 4.420 nan 0.000 0.215 3 P C 0.643 177.947 177.300 0.006 0.000 1.157 3 P CA 1.119 64.223 63.100 0.008 0.000 0.868 3 P CB 0.286 31.989 31.700 0.006 0.000 0.788 4 E N -0.451 119.750 120.200 0.001 0.000 2.118 4 E HA -0.119 4.231 4.350 -0.001 0.000 0.195 4 E C 2.095 178.693 176.600 -0.004 0.000 0.992 4 E CA 1.019 57.416 56.400 -0.005 0.000 0.804 4 E CB -1.162 28.533 29.700 -0.008 0.000 0.741 4 E HN 0.140 nan 8.360 nan 0.000 0.458 5 V N 1.463 121.378 119.914 0.002 0.000 2.283 5 V HA -0.193 3.926 4.120 -0.001 0.000 0.243 5 V C 2.227 178.331 176.094 0.017 0.000 1.039 5 V CA 1.592 63.896 62.300 0.007 0.000 1.016 5 V CB -0.462 31.366 31.823 0.008 0.000 0.650 5 V HN 0.211 nan 8.190 nan 0.000 0.449 6 E N -0.378 119.833 120.200 0.018 0.000 2.171 6 E HA -0.302 4.047 4.350 -0.001 0.000 0.197 6 E C 2.293 178.916 176.600 0.039 0.000 0.997 6 E CA 1.473 57.889 56.400 0.027 0.000 0.810 6 E CB -0.103 29.610 29.700 0.022 0.000 0.738 6 E HN 0.624 nan 8.360 nan 0.000 0.467 7 Q N 0.492 120.312 119.800 0.033 0.000 1.942 7 Q HA -0.190 4.150 4.340 -0.001 0.000 0.203 7 Q C 2.090 178.132 176.000 0.069 0.000 0.987 7 Q CA 1.376 57.206 55.803 0.046 0.000 0.844 7 Q CB -0.100 28.648 28.738 0.017 0.000 0.911 7 Q HN 0.348 nan 8.270 nan 0.000 0.423 8 E N 0.312 120.524 120.200 0.021 0.000 2.267 8 E HA -0.207 4.143 4.350 -0.001 0.000 0.197 8 E C 1.937 178.601 176.600 0.107 0.000 0.998 8 E CA 0.573 56.980 56.400 0.011 0.000 0.830 8 E CB -0.015 29.663 29.700 -0.038 0.000 0.751 8 E HN 0.152 nan 8.360 nan 0.000 0.491 9 L N 0.925 122.200 121.223 0.086 0.000 1.971 9 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 9 L C 2.466 179.401 176.870 0.108 0.000 1.083 9 L CA 1.911 56.803 54.840 0.086 0.000 0.753 9 L CB -1.070 41.021 42.059 0.053 0.000 0.893 9 L HN 0.032 nan 8.230 nan 0.000 0.436 10 A N -1.601 121.275 122.820 0.092 0.000 1.997 10 A HA -0.337 3.982 4.320 -0.001 0.000 0.221 10 A C 2.287 179.933 177.584 0.103 0.000 1.172 10 A CA 2.155 54.240 52.037 0.080 0.000 0.645 10 A CB -1.208 17.832 19.000 0.066 0.000 0.813 10 A HN 0.567 nan 8.150 nan 0.000 0.454 11 Y N 1.425 121.737 120.300 0.020 0.000 2.036 11 Y HA -0.275 4.275 4.550 -0.001 0.000 0.273 11 Y C 2.748 178.665 175.900 0.029 0.000 1.135 11 Y CA 2.893 61.006 58.100 0.022 0.000 1.106 11 Y CB -0.742 37.730 38.460 0.020 0.000 0.976 11 Y HN 0.340 nan 8.280 nan 0.000 0.483 12 T N 1.212 115.921 114.554 0.259 0.000 2.915 12 T HA -0.169 4.181 4.350 -0.001 0.000 0.269 12 T C 1.741 176.461 174.700 0.033 0.000 1.071 12 T CA 1.172 63.349 62.100 0.129 0.000 1.132 12 T CB -0.595 68.399 68.868 0.211 0.000 0.878 12 T HN 0.306 nan 8.240 nan 0.000 0.479 13 L N 1.150 122.398 121.223 0.043 0.000 2.017 13 L HA 0.054 4.393 4.340 -0.001 0.000 0.208 13 L C 2.152 179.021 176.870 -0.001 0.000 1.073 13 L CA 1.447 56.301 54.840 0.024 0.000 0.745 13 L CB -1.035 41.041 42.059 0.028 0.000 0.894 13 L HN 0.167 nan 8.230 nan 0.000 0.432 14 L N -0.884 120.319 121.223 -0.034 0.000 1.994 14 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 14 L C 2.590 179.406 176.870 -0.090 0.000 1.071 14 L CA 1.999 56.801 54.840 -0.063 0.000 0.745 14 L CB -0.901 41.103 42.059 -0.091 0.000 0.892 14 L HN 0.191 nan 8.230 nan 0.000 0.431 15 V N 0.362 120.163 119.914 -0.187 0.000 2.324 15 V HA -0.273 3.846 4.120 -0.001 0.000 0.250 15 V C 2.665 178.743 176.094 -0.027 0.000 1.060 15 V CA 1.784 63.977 62.300 -0.179 0.000 1.042 15 V CB -0.568 31.080 31.823 -0.293 0.000 0.650 15 V HN 0.458 nan 8.190 nan 0.000 0.450 16 E N -0.169 120.053 120.200 0.036 0.000 2.046 16 E HA -0.108 4.242 4.350 -0.001 0.000 0.190 16 E C 2.271 178.989 176.600 0.197 0.000 0.982 16 E CA 0.860 57.361 56.400 0.168 0.000 0.800 16 E CB -0.404 29.393 29.700 0.162 0.000 0.756 16 E HN 0.493 nan 8.360 nan 0.000 0.449 17 L N 0.804 122.083 121.223 0.094 0.000 2.013 17 L HA -0.235 4.105 4.340 -0.001 0.000 0.212 17 L C 2.576 179.495 176.870 0.081 0.000 1.073 17 L CA 1.129 56.016 54.840 0.078 0.000 0.753 17 L CB -0.383 41.694 42.059 0.031 0.000 0.890 17 L HN 0.123 nan 8.230 nan 0.000 0.432 18 L N -1.242 120.004 121.223 0.039 0.000 2.005 18 L HA -0.199 4.141 4.340 -0.001 0.000 0.207 18 L C 2.885 179.775 176.870 0.033 0.000 1.072 18 L CA 1.186 56.028 54.840 0.003 0.000 0.744 18 L CB -0.993 41.048 42.059 -0.031 0.000 0.895 18 L HN 0.268 nan 8.230 nan 0.000 0.433 19 A N -0.142 122.720 122.820 0.070 0.000 1.884 19 A HA -0.283 4.037 4.320 -0.001 0.000 0.219 19 A C 1.962 179.618 177.584 0.119 0.000 1.197 19 A CA 2.008 54.091 52.037 0.076 0.000 0.637 19 A CB -1.119 17.867 19.000 -0.023 0.000 0.827 19 A HN 0.466 nan 8.150 nan 0.000 0.450 20 Y N -0.419 119.954 120.300 0.123 0.000 2.529 20 Y HA -0.003 4.546 4.550 -0.001 0.000 0.290 20 Y C 2.406 178.378 175.900 0.120 0.000 1.177 20 Y CA 0.820 58.998 58.100 0.130 0.000 1.305 20 Y CB -0.096 38.407 38.460 0.071 0.000 1.047 20 Y HN 0.481 nan 8.280 nan 0.000 0.522 21 Q N -0.070 119.832 119.800 0.170 0.000 2.181 21 Q HA -0.219 4.120 4.340 -0.001 0.000 0.205 21 Q C 1.487 177.510 176.000 0.039 0.000 0.980 21 Q CA 1.600 57.435 55.803 0.054 0.000 0.862 21 Q CB -0.285 28.418 28.738 -0.059 0.000 0.905 21 Q HN 0.477 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 -0.283 4.243 4.527 -0.000 0.000 0.297 22 F C 2.159 177.974 175.800 0.024 0.000 1.114 22 F CA 1.792 59.795 58.000 0.006 0.000 1.207 22 F CB -0.443 38.543 39.000 -0.022 0.000 0.964 22 F HN 0.176 nan 8.300 nan 0.000 0.486 23 A N -1.185 121.803 122.820 0.279 0.000 2.460 23 A HA 0.304 4.624 4.320 -0.001 0.000 0.258 23 A C 0.419 178.092 177.584 0.148 0.000 1.300 23 A CA -0.040 52.109 52.037 0.186 0.000 0.913 23 A CB -0.255 18.845 19.000 0.167 0.000 1.031 23 A HN 0.064 nan 8.150 nan 0.000 0.512 24 M N 0.636 120.317 119.600 0.135 0.000 2.383 24 M HA 0.414 4.894 4.480 -0.001 0.000 0.325 24 M C -2.793 173.550 176.300 0.073 0.000 1.092 24 M CA -2.529 52.829 55.300 0.097 0.000 0.961 24 M CB 0.796 33.453 32.600 0.095 0.000 1.672 24 M HN -0.119 nan 8.290 nan 0.000 0.438 25 P HA 0.138 nan 4.420 nan 0.000 0.269 25 P C -0.679 176.656 177.300 0.058 0.000 1.217 25 P CA -0.397 62.735 63.100 0.053 0.000 0.783 25 P CB 0.400 32.128 31.700 0.047 0.000 0.898 26 V N 3.510 123.461 119.914 0.062 0.000 2.320 26 V HA 0.168 4.288 4.120 -0.001 0.000 0.265 26 V C 1.182 177.351 176.094 0.124 0.000 1.048 26 V CA -0.467 61.886 62.300 0.088 0.000 0.865 26 V CB -0.143 31.722 31.823 0.071 0.000 1.043 26 V HN 0.492 nan 8.190 nan 0.000 0.474 27 R N 4.517 125.086 120.500 0.116 0.000 4.164 27 R HA 0.038 4.378 4.340 -0.001 0.000 0.195 27 R C 0.957 177.340 176.300 0.138 0.000 1.712 27 R CA -0.404 55.757 56.100 0.102 0.000 1.457 27 R CB -0.024 30.306 30.300 0.050 0.000 1.387 27 R HN 0.897 nan 8.270 nan 0.000 0.785 28 W N 2.821 124.116 121.300 -0.008 0.000 2.595 28 W HA -0.111 4.548 4.660 -0.000 0.000 0.257 28 W C 0.820 177.330 176.519 -0.015 0.000 1.267 28 W CA 0.252 57.588 57.345 -0.014 0.000 1.300 28 W CB 0.233 29.682 29.460 -0.017 0.000 1.120 28 W HN 0.348 nan 8.180 nan 0.000 0.618 29 I N 1.572 122.149 120.570 0.012 0.000 2.090 29 I HA -0.311 3.859 4.170 -0.001 0.000 0.236 29 I C 2.117 178.136 176.117 -0.162 0.000 1.064 29 I CA 1.965 63.222 61.300 -0.073 0.000 1.324 29 I CB -1.302 36.701 38.000 0.004 0.000 1.044 29 I HN 0.042 nan 8.210 nan 0.000 0.399 30 E N -0.040 120.098 120.200 -0.103 0.000 2.204 30 E HA -0.167 4.183 4.350 -0.001 0.000 0.195 30 E C 1.933 178.429 176.600 -0.173 0.000 0.990 30 E CA 1.625 57.963 56.400 -0.102 0.000 0.821 30 E CB -0.324 29.343 29.700 -0.054 0.000 0.750 30 E HN 0.490 nan 8.360 nan 0.000 0.477 31 T N 1.312 115.710 114.554 -0.260 0.000 2.737 31 T HA -0.163 4.187 4.350 -0.001 0.000 0.265 31 T C 1.867 176.249 174.700 -0.530 0.000 1.038 31 T CA 1.031 62.909 62.100 -0.371 0.000 1.144 31 T CB -0.158 68.455 68.868 -0.425 0.000 0.866 31 T HN 0.173 nan 8.240 nan 0.000 0.434 32 Q N 0.545 119.904 119.800 -0.736 0.000 2.181 32 Q HA -0.156 4.184 4.340 -0.001 0.000 0.205 32 Q C 1.772 177.557 176.000 -0.358 0.000 0.980 32 Q CA 1.457 56.877 55.803 -0.638 0.000 0.862 32 Q CB -0.177 28.193 28.738 -0.614 0.000 0.905 32 Q HN 0.520 nan 8.270 nan 0.000 0.429 33 D N -0.657 119.597 120.400 -0.243 0.000 2.234 33 D HA -0.078 4.562 4.640 -0.001 0.000 0.205 33 D C 1.732 177.981 176.300 -0.084 0.000 0.962 33 D CA 0.460 54.406 54.000 -0.090 0.000 0.855 33 D CB 0.195 40.985 40.800 -0.016 0.000 0.951 33 D HN -0.010 nan 8.370 nan 0.000 0.500 34 V N 0.797 120.636 119.914 -0.125 0.000 2.626 34 V HA -0.154 3.966 4.120 -0.001 0.000 0.252 34 V C 2.159 178.197 176.094 -0.092 0.000 1.067 34 V CA 1.048 63.291 62.300 -0.094 0.000 1.081 34 V CB -0.254 31.512 31.823 -0.095 0.000 0.686 34 V HN 0.279 nan 8.190 nan 0.000 0.468 35 I N -0.877 119.611 120.570 -0.137 0.000 2.333 35 I HA -0.129 4.040 4.170 -0.001 0.000 0.246 35 I C 2.134 178.192 176.117 -0.097 0.000 1.106 35 I CA 1.369 62.598 61.300 -0.118 0.000 1.411 35 I CB -0.109 37.795 38.000 -0.159 0.000 1.082 35 I HN 0.255 nan 8.210 nan 0.000 0.420 36 L N 0.118 121.261 121.223 -0.134 0.000 2.202 36 L HA 0.031 4.371 4.340 -0.001 0.000 0.205 36 L C 2.551 179.434 176.870 0.022 0.000 1.083 36 L CA 0.939 55.707 54.840 -0.120 0.000 0.790 36 L CB -0.366 41.429 42.059 -0.441 0.000 0.942 36 L HN 0.175 nan 8.230 nan 0.000 0.452 37 A N -0.615 122.217 122.820 0.020 0.000 1.938 37 A HA -0.066 4.254 4.320 -0.001 0.000 0.207 37 A C 2.137 179.696 177.584 -0.041 0.000 1.292 37 A CA 0.476 52.453 52.037 -0.100 0.000 0.700 37 A CB -0.136 18.766 19.000 -0.163 0.000 0.947 37 A HN 0.264 nan 8.150 nan 0.000 0.476 38 E N 0.254 120.439 120.200 -0.025 0.000 2.028 38 E HA -0.083 4.267 4.350 -0.001 0.000 0.190 38 E C 1.227 177.833 176.600 0.009 0.000 0.984 38 E CA 1.035 57.431 56.400 -0.007 0.000 0.800 38 E CB -0.008 29.680 29.700 -0.020 0.000 0.758 38 E HN 0.476 nan 8.360 nan 0.000 0.448 39 K N 0.236 120.636 120.400 -0.000 0.000 2.387 39 K HA 0.177 4.497 4.320 -0.001 0.000 0.198 39 K C -0.259 176.355 176.600 0.023 0.000 1.022 39 K CA -0.216 56.076 56.287 0.009 0.000 1.128 39 K CB 0.384 32.882 32.500 -0.004 0.000 0.853 39 K HN 0.044 nan 8.250 nan 0.000 0.523 40 R N 2.327 122.848 120.500 0.035 0.000 3.034 40 R HA -0.136 4.204 4.340 -0.001 0.000 0.237 40 R C -0.289 176.039 176.300 0.048 0.000 0.861 40 R CA 0.885 57.024 56.100 0.065 0.000 0.588 40 R CB -1.997 28.373 30.300 0.117 0.000 1.035 40 R HN 0.356 nan 8.270 nan 0.000 0.488 41 T N -2.655 111.910 114.554 0.019 0.000 2.870 41 T HA 0.152 4.502 4.350 -0.001 0.000 0.300 41 T C 1.068 175.781 174.700 0.021 0.000 0.989 41 T CA -0.617 61.492 62.100 0.015 0.000 1.139 41 T CB 1.394 70.260 68.868 -0.002 0.000 0.920 41 T HN 0.386 nan 8.240 nan 0.000 0.537 42 E N 1.646 121.864 120.200 0.029 0.000 2.442 42 E HA 0.087 4.437 4.350 -0.001 0.000 0.195 42 E C 0.924 177.537 176.600 0.022 0.000 1.030 42 E CA 0.056 56.475 56.400 0.032 0.000 0.869 42 E CB 0.384 30.107 29.700 0.038 0.000 0.857 42 E HN 0.516 nan 8.360 nan 0.000 0.505 43 R N 1.624 122.134 120.500 0.017 0.000 2.576 43 R HA 0.291 4.630 4.340 -0.001 0.000 0.283 43 R C -1.106 175.200 176.300 0.009 0.000 1.493 43 R CA -0.240 55.868 56.100 0.012 0.000 1.170 43 R CB 0.537 30.848 30.300 0.018 0.000 1.189 43 R HN 0.016 nan 8.270 nan 0.000 0.542 44 I N 4.265 124.837 120.570 0.004 0.000 2.416 44 I HA 0.198 4.367 4.170 -0.001 0.000 0.288 44 I C -0.025 176.105 176.117 0.022 0.000 1.051 44 I CA -0.551 60.756 61.300 0.010 0.000 1.375 44 I CB 1.475 39.477 38.000 0.002 0.000 1.407 44 I HN 0.135 nan 8.210 nan 0.000 0.516 45 V N 6.401 126.337 119.914 0.037 0.000 2.555 45 V HA 0.329 4.448 4.120 -0.001 0.000 0.302 45 V C -0.032 176.107 176.094 0.075 0.000 1.038 45 V CA -0.670 61.659 62.300 0.047 0.000 0.887 45 V CB 2.042 33.893 31.823 0.045 0.000 0.991 45 V HN 0.722 nan 8.190 nan 0.000 0.434 46 E N 3.864 124.113 120.200 0.082 0.000 2.202 46 E HA 0.649 4.999 4.350 -0.001 0.000 0.272 46 E C -1.477 175.194 176.600 0.119 0.000 0.951 46 E CA -0.670 55.784 56.400 0.089 0.000 0.813 46 E CB 1.779 31.521 29.700 0.070 0.000 1.151 46 E HN 0.599 nan 8.360 nan 0.000 0.398 47 I N 3.531 124.153 120.570 0.087 0.000 2.468 47 I HA 0.557 4.727 4.170 -0.001 0.000 0.284 47 I C 0.111 176.217 176.117 -0.018 0.000 1.038 47 I CA -0.414 60.929 61.300 0.072 0.000 1.083 47 I CB 1.492 39.528 38.000 0.060 0.000 1.223 47 I HN 0.732 nan 8.210 nan 0.000 0.443 48 G N 6.591 115.365 108.800 -0.042 0.000 2.325 48 G HA2 0.309 4.269 3.960 -0.001 0.000 0.295 48 G HA3 0.309 4.269 3.960 -0.001 0.000 0.295 48 G C -2.882 171.982 174.900 -0.059 0.000 1.274 48 G CA -0.281 44.775 45.100 -0.073 0.000 0.857 48 G HN 0.289 nan 8.290 nan 0.000 0.499 49 P HA 0.316 nan 4.420 nan 0.000 0.245 49 P C 0.294 177.586 177.300 -0.014 0.000 1.203 49 P CA 0.434 63.513 63.100 -0.035 0.000 0.792 49 P CB 0.818 32.492 31.700 -0.044 0.000 0.997 50 S N -0.098 115.593 115.700 -0.015 0.000 2.607 50 S HA 0.244 4.714 4.470 -0.001 0.000 0.273 50 S C -0.936 173.660 174.600 -0.006 0.000 1.148 50 S CA -0.646 57.547 58.200 -0.011 0.000 0.833 50 S CB 1.291 64.477 63.200 -0.024 0.000 1.130 50 S HN 0.102 nan 8.310 nan 0.000 0.470 51 D N 0.842 121.240 120.400 -0.003 0.000 3.060 51 D HA 0.048 4.688 4.640 -0.001 0.000 0.245 51 D C 1.273 177.567 176.300 -0.010 0.000 1.274 51 D CA -0.152 53.848 54.000 0.001 0.000 0.864 51 D CB -0.524 40.280 40.800 0.006 0.000 1.073 51 D HN 0.539 nan 8.370 nan 0.000 0.473 52 T N -1.710 112.827 114.554 -0.029 0.000 2.770 52 T HA -0.096 4.254 4.350 -0.001 0.000 0.263 52 T C 2.063 176.733 174.700 -0.049 0.000 1.039 52 T CA 0.340 62.410 62.100 -0.049 0.000 1.142 52 T CB -0.398 68.423 68.868 -0.079 0.000 0.868 52 T HN 0.233 nan 8.240 nan 0.000 0.435 53 L N 0.978 122.167 121.223 -0.056 0.000 2.465 53 L HA 0.200 4.540 4.340 -0.001 0.000 0.224 53 L C 2.871 179.786 176.870 0.076 0.000 1.145 53 L CA 0.714 55.549 54.840 -0.008 0.000 0.834 53 L CB -0.647 41.404 42.059 -0.014 0.000 0.944 53 L HN 0.502 nan 8.230 nan 0.000 0.451 54 G N -0.348 108.476 108.800 0.039 0.000 2.404 54 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.213 54 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.213 54 G C 1.506 176.425 174.900 0.031 0.000 1.189 54 G CA 0.578 45.702 45.100 0.039 0.000 0.796 54 G HN 0.427 nan 8.290 nan 0.000 0.532 55 G N 0.099 108.911 108.800 0.020 0.000 2.776 55 G HA2 0.038 3.998 3.960 -0.001 0.000 0.209 55 G HA3 0.038 3.998 3.960 -0.001 0.000 0.209 55 G C 1.554 176.470 174.900 0.027 0.000 1.145 55 G CA 0.740 45.850 45.100 0.017 0.000 0.791 55 G HN 0.418 nan 8.290 nan 0.000 0.530 56 M N 0.285 119.913 119.600 0.046 0.000 2.325 56 M HA 0.339 4.818 4.480 -0.001 0.000 0.265 56 M C 2.584 178.941 176.300 0.094 0.000 1.094 56 M CA 1.288 56.637 55.300 0.081 0.000 1.161 56 M CB 0.240 32.906 32.600 0.110 0.000 1.358 56 M HN 0.177 nan 8.290 nan 0.000 0.446 57 A N -0.034 122.840 122.820 0.090 0.000 2.067 57 A HA -0.018 4.302 4.320 -0.001 0.000 0.217 57 A C 1.998 179.565 177.584 -0.028 0.000 1.156 57 A CA 0.882 52.933 52.037 0.024 0.000 0.683 57 A CB -0.443 18.575 19.000 0.030 0.000 0.808 57 A HN 0.502 nan 8.150 nan 0.000 0.455 58 R N -0.622 119.877 120.500 -0.001 0.000 2.090 58 R HA 0.028 4.368 4.340 -0.001 0.000 0.228 58 R C 2.294 178.592 176.300 -0.003 0.000 1.110 58 R CA 1.180 57.276 56.100 -0.007 0.000 0.973 58 R CB -0.177 30.126 30.300 0.005 0.000 0.869 58 R HN 0.406 nan 8.270 nan 0.000 0.440 59 R N -0.193 120.312 120.500 0.009 0.000 2.115 59 R HA -0.051 4.289 4.340 -0.001 0.000 0.226 59 R C 1.883 178.192 176.300 0.015 0.000 1.100 59 R CA 1.696 57.806 56.100 0.018 0.000 0.980 59 R CB -0.079 30.237 30.300 0.027 0.000 0.875 59 R HN 0.333 nan 8.270 nan 0.000 0.445 60 T N -0.909 113.637 114.554 -0.014 0.000 3.085 60 T HA 0.060 4.410 4.350 -0.001 0.000 0.263 60 T C 1.766 176.426 174.700 -0.065 0.000 1.127 60 T CA 0.456 62.532 62.100 -0.040 0.000 1.103 60 T CB 0.033 68.834 68.868 -0.112 0.000 0.921 60 T HN 0.126 nan 8.240 nan 0.000 0.510 61 L N -0.081 121.103 121.223 -0.066 0.000 2.446 61 L HA 0.134 4.473 4.340 -0.001 0.000 0.219 61 L C 2.663 179.580 176.870 0.079 0.000 1.116 61 L CA 0.758 55.591 54.840 -0.012 0.000 0.844 61 L CB -0.247 41.792 42.059 -0.034 0.000 0.970 61 L HN 0.323 nan 8.230 nan 0.000 0.457 62 Q N -0.885 118.950 119.800 0.059 0.000 2.304 62 Q HA -0.064 4.275 4.340 -0.001 0.000 0.204 62 Q C 2.422 178.465 176.000 0.072 0.000 0.936 62 Q CA 1.305 57.145 55.803 0.061 0.000 0.878 62 Q CB 0.156 28.918 28.738 0.040 0.000 0.983 62 Q HN 0.442 nan 8.270 nan 0.000 0.516 63 S N 0.548 116.293 115.700 0.075 0.000 2.377 63 S HA -0.007 4.463 4.470 -0.001 0.000 0.223 63 S C 1.818 176.473 174.600 0.091 0.000 1.030 63 S CA 0.732 58.975 58.200 0.071 0.000 0.970 63 S CB 0.081 63.316 63.200 0.059 0.000 0.830 63 S HN 0.114 nan 8.310 nan 0.000 0.473 64 K N -0.746 119.747 120.400 0.156 0.000 2.225 64 K HA 0.240 4.560 4.320 -0.001 0.000 0.204 64 K C 1.040 177.725 176.600 0.142 0.000 1.047 64 K CA 0.409 56.789 56.287 0.155 0.000 0.970 64 K CB -0.073 32.567 32.500 0.234 0.000 0.939 64 K HN 0.320 nan 8.250 nan 0.000 0.472 65 Y N 1.845 122.149 120.300 0.007 0.000 2.477 65 Y HA 0.004 4.554 4.550 0.000 0.000 0.303 65 Y C 1.813 177.758 175.900 0.075 0.000 1.202 65 Y CA 0.145 58.264 58.100 0.032 0.000 1.282 65 Y CB -0.215 38.239 38.460 -0.010 0.000 1.071 65 Y HN 0.151 nan 8.280 nan 0.000 0.510 66 E N 1.261 121.560 120.200 0.165 0.000 2.049 66 E HA -0.237 4.113 4.350 -0.001 0.000 0.198 66 E C 2.278 178.937 176.600 0.099 0.000 1.007 66 E CA 1.914 58.382 56.400 0.114 0.000 0.809 66 E CB -0.264 29.482 29.700 0.076 0.000 0.749 66 E HN 0.317 nan 8.360 nan 0.000 0.450 67 A N -0.826 122.042 122.820 0.079 0.000 1.898 67 A HA -0.099 4.221 4.320 -0.001 0.000 0.214 67 A C 2.301 179.923 177.584 0.063 0.000 1.183 67 A CA 1.316 53.384 52.037 0.052 0.000 0.622 67 A CB -1.050 17.966 19.000 0.026 0.000 0.824 67 A HN 0.497 nan 8.150 nan 0.000 0.444 68 Y N 1.127 121.403 120.300 -0.040 0.000 2.128 68 Y HA -0.290 4.259 4.550 -0.001 0.000 0.284 68 Y C 1.895 177.799 175.900 0.007 0.000 1.154 68 Y CA 2.264 60.333 58.100 -0.053 0.000 1.149 68 Y CB -0.104 38.262 38.460 -0.156 0.000 0.976 68 Y HN 0.365 nan 8.280 nan 0.000 0.505 69 D N -0.174 120.403 120.400 0.295 0.000 2.117 69 D HA -0.135 4.505 4.640 -0.001 0.000 0.198 69 D C 2.230 178.577 176.300 0.078 0.000 0.982 69 D CA 1.426 55.554 54.000 0.214 0.000 0.828 69 D CB -0.552 40.372 40.800 0.208 0.000 0.967 69 D HN 0.460 nan 8.370 nan 0.000 0.464 70 A N 0.556 123.410 122.820 0.057 0.000 1.969 70 A HA 0.049 4.369 4.320 -0.001 0.000 0.218 70 A C 2.180 179.755 177.584 -0.016 0.000 1.169 70 A CA 1.951 54.001 52.037 0.021 0.000 0.635 70 A CB -0.538 18.476 19.000 0.023 0.000 0.810 70 A HN 0.234 nan 8.150 nan 0.000 0.445 71 A N -1.050 121.738 122.820 -0.053 0.000 1.843 71 A HA 0.016 4.336 4.320 -0.001 0.000 0.213 71 A C 2.192 179.701 177.584 -0.125 0.000 1.202 71 A CA 1.901 53.880 52.037 -0.097 0.000 0.607 71 A CB -1.208 17.710 19.000 -0.137 0.000 0.847 71 A HN 0.373 nan 8.150 nan 0.000 0.445 72 T N -0.093 114.338 114.554 -0.205 0.000 3.025 72 T HA 0.002 4.352 4.350 -0.001 0.000 0.270 72 T C 0.973 175.630 174.700 -0.073 0.000 1.126 72 T CA 1.388 63.369 62.100 -0.197 0.000 1.105 72 T CB -0.284 68.390 68.868 -0.323 0.000 0.884 72 T HN 0.877 nan 8.240 nan 0.000 0.522 73 S N -0.120 115.558 115.700 -0.036 0.000 3.586 73 S HA -0.161 4.309 4.470 -0.001 0.000 0.309 73 S C 0.210 174.824 174.600 0.023 0.000 1.195 73 S CA 0.105 58.303 58.200 -0.003 0.000 0.895 73 S CB -2.109 61.085 63.200 -0.010 0.000 0.983 73 S HN 0.361 nan 8.310 nan 0.000 0.563 74 V N 2.821 122.765 119.914 0.050 0.000 2.479 74 V HA 0.201 4.321 4.120 -0.001 0.000 0.281 74 V C 0.874 177.012 176.094 0.073 0.000 1.031 74 V CA 0.361 62.711 62.300 0.084 0.000 1.038 74 V CB 1.005 32.925 31.823 0.162 0.000 0.981 74 V HN 0.539 nan 8.190 nan 0.000 0.478 75 Q N 5.622 125.455 119.800 0.056 0.000 2.267 75 Q HA 0.552 4.891 4.340 -0.001 0.000 0.255 75 Q C -0.415 175.612 176.000 0.045 0.000 0.923 75 Q CA -0.301 55.529 55.803 0.046 0.000 0.925 75 Q CB 1.540 30.300 28.738 0.037 0.000 1.195 75 Q HN 0.610 nan 8.270 nan 0.000 0.417 76 R N 1.921 122.444 120.500 0.038 0.000 2.561 76 R HA 0.319 4.659 4.340 -0.001 0.000 0.297 76 R C -1.030 175.279 176.300 0.016 0.000 0.969 76 R CA -0.586 55.530 56.100 0.027 0.000 0.879 76 R CB 2.100 32.415 30.300 0.025 0.000 1.178 76 R HN 0.534 nan 8.270 nan 0.000 0.445 77 Q N 4.060 123.865 119.800 0.009 0.000 2.337 77 Q HA 0.347 4.686 4.340 -0.001 0.000 0.264 77 Q C -1.250 174.749 176.000 -0.003 0.000 1.007 77 Q CA -0.406 55.398 55.803 0.003 0.000 0.727 77 Q CB 1.316 30.055 28.738 0.002 0.000 1.256 77 Q HN 0.608 nan 8.270 nan 0.000 0.467 78 I N 5.512 126.080 120.570 -0.004 0.000 2.297 78 I HA 0.284 4.453 4.170 -0.001 0.000 0.291 78 I C -0.617 175.498 176.117 -0.003 0.000 1.033 78 I CA -0.437 60.863 61.300 -0.001 0.000 1.253 78 I CB 0.775 38.776 38.000 0.001 0.000 1.396 78 I HN 0.464 nan 8.210 nan 0.000 0.476 79 L N 6.845 128.067 121.223 -0.002 0.000 2.319 79 L HA 0.408 4.747 4.340 -0.001 0.000 0.281 79 L C -0.154 176.722 176.870 0.010 0.000 1.005 79 L CA -0.532 54.301 54.840 -0.012 0.000 0.828 79 L CB 1.814 43.851 42.059 -0.036 0.000 1.227 79 L HN 0.641 nan 8.230 nan 0.000 0.415 80 C N 2.059 121.366 119.300 0.011 0.000 2.520 80 C HA 0.162 4.621 4.460 -0.001 0.000 0.376 80 C C 1.680 176.700 174.990 0.050 0.000 1.268 80 C CA -0.274 58.769 59.018 0.042 0.000 2.414 80 C CB 0.638 28.398 27.740 0.033 0.000 2.521 80 C HN 0.864 nan 8.230 nan 0.000 0.618 81 Y N 2.089 122.380 120.300 -0.016 0.000 2.133 81 Y HA -0.093 4.455 4.550 -0.002 0.000 0.287 81 Y C 2.408 178.278 175.900 -0.051 0.000 1.134 81 Y CA 2.683 60.769 58.100 -0.023 0.000 1.133 81 Y CB -0.461 37.992 38.460 -0.011 0.000 0.987 81 Y HN 0.861 nan 8.280 nan 0.000 0.502 82 C N 0.930 120.351 119.300 0.202 0.000 2.581 82 C HA -0.177 4.283 4.460 -0.001 0.000 0.287 82 C C 2.524 177.511 174.990 -0.005 0.000 1.241 82 C CA 1.352 60.431 59.018 0.101 0.000 1.747 82 C CB -1.278 26.507 27.740 0.075 0.000 2.090 82 C HN 0.496 nan 8.230 nan 0.000 0.460 83 K N 1.148 121.544 120.400 -0.006 0.000 1.978 83 K HA -0.128 4.192 4.320 -0.001 0.000 0.214 83 K C 0.654 177.220 176.600 -0.056 0.000 1.049 83 K CA 1.503 57.774 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 0.572 nan 8.250 nan 0.000 0.441 84 D N 0.931 121.292 120.400 -0.065 0.000 3.085 84 D HA 0.124 4.763 4.640 -0.001 0.000 0.243 84 D C 0.811 177.020 176.300 -0.153 0.000 1.232 84 D CA 0.049 53.997 54.000 -0.088 0.000 0.913 84 D CB 0.594 41.354 40.800 -0.066 0.000 1.108 84 D HN 0.208 nan 8.370 nan 0.000 0.468 85 A N 1.261 123.967 122.820 -0.190 0.000 1.858 85 A HA -0.223 4.097 4.320 -0.001 0.000 0.216 85 A C 2.109 179.500 177.584 -0.322 0.000 1.190 85 A CA 1.153 52.993 52.037 -0.328 0.000 0.617 85 A CB -0.065 18.758 19.000 -0.296 0.000 0.827 85 A HN 0.161 nan 8.150 nan 0.000 0.443 86 K N -0.343 119.936 120.400 -0.202 0.000 2.228 86 K HA -0.071 4.249 4.320 -0.001 0.000 0.202 86 K C 1.699 178.239 176.600 -0.100 0.000 1.051 86 K CA 1.221 57.425 56.287 -0.139 0.000 0.960 86 K CB -0.108 32.342 32.500 -0.084 0.000 0.743 86 K HN 0.641 nan 8.250 nan 0.000 0.458 87 E N 0.765 120.890 120.200 -0.125 0.000 2.274 87 E HA -0.090 4.260 4.350 -0.001 0.000 0.194 87 E C 1.783 178.217 176.600 -0.275 0.000 0.996 87 E CA 0.468 56.772 56.400 -0.160 0.000 0.840 87 E CB 0.068 29.694 29.700 -0.124 0.000 0.772 87 E HN 0.203 nan 8.360 nan 0.000 0.491 88 I N 0.199 120.659 120.570 -0.184 0.000 2.233 88 I HA -0.202 3.967 4.170 -0.001 0.000 0.243 88 I C 1.543 177.615 176.117 -0.074 0.000 1.093 88 I CA 1.354 62.572 61.300 -0.137 0.000 1.380 88 I CB -0.696 37.293 38.000 -0.018 0.000 1.067 88 I HN 0.130 nan 8.210 nan 0.000 0.413 89 Y N -0.053 120.109 120.300 -0.229 0.000 2.462 89 Y HA 0.056 4.607 4.550 0.002 0.000 0.293 89 Y C 0.030 175.948 175.900 0.031 0.000 1.195 89 Y CA -1.141 56.907 58.100 -0.086 0.000 1.276 89 Y CB -1.163 37.257 38.460 -0.067 0.000 1.082 89 Y HN 0.095 nan 8.280 nan 0.000 0.514 90 Y N -0.310 120.048 120.300 0.097 0.000 3.108 90 Y HA -0.290 4.260 4.550 -0.001 0.000 0.208 90 Y C -0.055 175.874 175.900 0.049 0.000 1.245 90 Y CA 0.439 58.567 58.100 0.048 0.000 1.171 90 Y CB -1.521 36.951 38.460 0.021 0.000 1.331 90 Y HN 0.160 nan 8.280 nan 0.000 0.534 91 D N 0.413 120.901 120.400 0.145 0.000 2.441 91 D HA 0.633 5.272 4.640 -0.001 0.000 0.231 91 D C -0.689 175.647 176.300 0.060 0.000 1.073 91 D CA -0.277 53.782 54.000 0.100 0.000 0.850 91 D CB 0.717 41.566 40.800 0.081 0.000 1.062 91 D HN -0.014 nan 8.370 nan 0.000 0.524 92 V N 2.261 122.212 119.914 0.061 0.000 3.074 92 V HA 0.557 4.676 4.120 -0.001 0.000 0.314 92 V C 0.053 176.166 176.094 0.031 0.000 1.117 92 V CA -1.069 61.255 62.300 0.040 0.000 1.014 92 V CB 2.013 33.864 31.823 0.046 0.000 1.057 92 V HN 0.361 nan 8.190 nan 0.000 0.438 93 E N 1.479 121.691 120.200 0.021 0.000 2.248 93 E HA 0.648 4.998 4.350 -0.001 0.000 0.272 93 E C -2.110 174.500 176.600 0.016 0.000 1.008 93 E CA -1.182 55.228 56.400 0.017 0.000 0.856 93 E CB 0.552 30.258 29.700 0.011 0.000 1.120 93 E HN 0.638 nan 8.360 nan 0.000 0.397 326 D N 2.817 123.219 120.400 0.003 0.000 2.352 326 D HA 0.165 4.805 4.640 -0.001 0.000 0.232 326 D C 1.541 177.843 176.300 0.002 0.000 1.055 326 D CA 0.940 54.943 54.000 0.005 0.000 0.891 326 D CB 0.543 41.347 40.800 0.007 0.000 0.897 326 D HN 0.398 nan 8.370 nan 0.000 0.529 327 A N 0.428 123.247 122.820 -0.001 0.000 1.898 327 A HA -0.026 4.293 4.320 -0.001 0.000 0.214 327 A C 2.069 179.648 177.584 -0.007 0.000 1.183 327 A CA 0.380 52.414 52.037 -0.005 0.000 0.622 327 A CB -0.410 18.587 19.000 -0.005 0.000 0.824 327 A HN 0.192 nan 8.150 nan 0.000 0.444 328 L N 0.474 121.694 121.223 -0.005 0.000 2.622 328 L HA -0.028 4.312 4.340 -0.001 0.000 0.233 328 L C 1.701 178.568 176.870 -0.005 0.000 1.156 328 L CA 1.331 56.167 54.840 -0.007 0.000 0.866 328 L CB -0.059 41.997 42.059 -0.004 0.000 0.980 328 L HN 0.671 nan 8.230 nan 0.000 0.448 329 T N -7.839 106.715 114.554 -0.001 0.000 3.046 329 T HA 0.072 4.422 4.350 -0.001 0.000 0.270 329 T C 1.483 176.187 174.700 0.006 0.000 0.920 329 T CA -0.439 61.665 62.100 0.007 0.000 0.874 329 T CB 0.094 68.976 68.868 0.023 0.000 1.214 329 T HN -0.036 nan 8.240 nan 0.000 0.536 330 K N 1.262 121.661 120.400 -0.000 0.000 2.362 330 K HA -0.043 4.277 4.320 -0.001 0.000 0.200 330 K C 1.631 178.221 176.600 -0.018 0.000 1.046 330 K CA 1.102 57.388 56.287 -0.002 0.000 0.952 330 K CB -0.054 32.444 32.500 -0.003 0.000 0.753 330 K HN 0.207 nan 8.250 nan 0.000 0.466 331 D N 0.707 121.088 120.400 -0.031 0.000 2.097 331 D HA -0.134 4.506 4.640 -0.001 0.000 0.197 331 D C 1.927 178.167 176.300 -0.100 0.000 0.984 331 D CA 1.032 54.998 54.000 -0.057 0.000 0.826 331 D CB 0.196 40.963 40.800 -0.056 0.000 0.973 331 D HN 0.088 nan 8.370 nan 0.000 0.460 332 Q N 0.532 120.273 119.800 -0.097 0.000 1.967 332 Q HA -0.204 4.135 4.340 -0.001 0.000 0.210 332 Q C 2.411 178.324 176.000 -0.144 0.000 1.005 332 Q CA 1.354 57.055 55.803 -0.170 0.000 0.862 332 Q CB -0.523 28.210 28.738 -0.008 0.000 0.939 332 Q HN 0.285 nan 8.270 nan 0.000 0.417 333 R N 0.482 120.998 120.500 0.027 0.000 2.154 333 R HA -0.244 4.096 4.340 -0.001 0.000 0.236 333 R C 2.383 178.704 176.300 0.035 0.000 1.121 333 R CA 2.013 58.167 56.100 0.090 0.000 0.915 333 R CB -0.949 29.389 30.300 0.062 0.000 0.856 333 R HN 0.419 nan 8.270 nan 0.000 0.431 334 A N 1.092 123.906 122.820 -0.011 0.000 1.940 334 A HA -0.253 4.067 4.320 -0.001 0.000 0.221 334 A C 2.076 179.631 177.584 -0.048 0.000 1.190 334 A CA 1.941 53.964 52.037 -0.022 0.000 0.647 334 A CB -0.806 18.174 19.000 -0.034 0.000 0.821 334 A HN 0.340 nan 8.150 nan 0.000 0.457 335 L N -1.050 120.094 121.223 -0.131 0.000 1.955 335 L HA -0.109 4.231 4.340 -0.001 0.000 0.213 335 L C 2.282 179.072 176.870 -0.133 0.000 1.072 335 L CA 2.253 56.966 54.840 -0.210 0.000 0.755 335 L CB -1.359 40.448 42.059 -0.421 0.000 0.888 335 L HN 0.407 nan 8.230 nan 0.000 0.432 336 F N 0.160 120.106 119.950 -0.008 0.000 2.161 336 F HA -0.250 4.277 4.527 -0.001 0.000 0.300 336 F C 2.637 178.433 175.800 -0.006 0.000 1.089 336 F CA 1.598 59.593 58.000 -0.008 0.000 1.282 336 F CB -0.381 38.615 39.000 -0.008 0.000 1.010 336 F HN 0.187 nan 8.300 nan 0.000 0.485 337 K N 0.552 121.051 120.400 0.165 0.000 2.103 337 K HA -0.246 4.074 4.320 -0.001 0.000 0.207 337 K C 1.946 178.585 176.600 0.066 0.000 1.048 337 K CA 1.685 58.029 56.287 0.094 0.000 0.930 337 K CB -0.108 32.428 32.500 0.059 0.000 0.716 337 K HN 0.343 nan 8.250 nan 0.000 0.444 338 Q N 0.031 119.859 119.800 0.046 0.000 2.079 338 Q HA -0.205 4.135 4.340 -0.001 0.000 0.200 338 Q C 2.202 178.229 176.000 0.045 0.000 0.974 338 Q CA 1.570 57.392 55.803 0.031 0.000 0.840 338 Q CB -0.074 28.668 28.738 0.007 0.000 0.898 338 Q HN 0.402 nan 8.270 nan 0.000 0.430 339 Q N 0.738 120.579 119.800 0.069 0.000 2.197 339 Q HA -0.189 4.151 4.340 -0.001 0.000 0.207 339 Q C 1.988 178.034 176.000 0.076 0.000 0.984 339 Q CA 1.014 56.868 55.803 0.085 0.000 0.869 339 Q CB -0.076 28.761 28.738 0.165 0.000 0.906 339 Q HN 0.428 nan 8.270 nan 0.000 0.426 340 L N 0.221 121.492 121.223 0.081 0.000 2.005 340 L HA -0.197 4.143 4.340 -0.001 0.000 0.207 340 L C 2.153 179.052 176.870 0.049 0.000 1.072 340 L CA 1.349 56.223 54.840 0.057 0.000 0.744 340 L CB -0.253 41.837 42.059 0.052 0.000 0.895 340 L HN 0.254 nan 8.230 nan 0.000 0.433 341 E N 0.246 120.473 120.200 0.045 0.000 2.130 341 E HA -0.257 4.092 4.350 -0.001 0.000 0.196 341 E C 2.155 178.783 176.600 0.047 0.000 0.998 341 E CA 1.653 58.076 56.400 0.039 0.000 0.806 341 E CB -0.193 29.526 29.700 0.031 0.000 0.738 341 E HN 0.629 nan 8.360 nan 0.000 0.459 342 I N 0.565 121.163 120.570 0.048 0.000 2.286 342 I HA -0.189 3.980 4.170 -0.001 0.000 0.245 342 I C 2.508 178.676 176.117 0.084 0.000 1.104 342 I CA 0.723 62.056 61.300 0.054 0.000 1.397 342 I CB -0.445 37.574 38.000 0.032 0.000 1.072 342 I HN 0.036 nan 8.210 nan 0.000 0.417 343 I N 1.564 122.177 120.570 0.072 0.000 2.127 343 I HA -0.292 3.878 4.170 -0.001 0.000 0.241 343 I C 3.012 179.214 176.117 0.142 0.000 1.075 343 I CA 1.490 62.853 61.300 0.104 0.000 1.334 343 I CB -0.720 37.320 38.000 0.067 0.000 1.040 343 I HN 0.170 nan 8.210 nan 0.000 0.405 344 A N 1.043 123.916 122.820 0.087 0.000 1.884 344 A HA -0.312 4.007 4.320 -0.001 0.000 0.219 344 A C 2.468 180.095 177.584 0.071 0.000 1.197 344 A CA 2.372 54.449 52.037 0.067 0.000 0.637 344 A CB -0.904 18.122 19.000 0.043 0.000 0.827 344 A HN 0.379 nan 8.150 nan 0.000 0.450 345 R N -2.272 118.275 120.500 0.079 0.000 2.120 345 R HA -0.188 4.151 4.340 -0.001 0.000 0.234 345 R C 2.047 178.402 176.300 0.093 0.000 1.123 345 R CA 1.866 58.008 56.100 0.070 0.000 0.975 345 R CB -0.385 29.956 30.300 0.067 0.000 0.866 345 R HN 0.717 nan 8.270 nan 0.000 0.446 346 Y N 0.386 120.689 120.300 0.006 0.000 2.337 346 Y HA 0.000 4.550 4.550 -0.001 0.000 0.293 346 Y C 1.422 177.325 175.900 0.004 0.000 1.123 346 Y CA 1.126 59.230 58.100 0.005 0.000 1.201 346 Y CB 0.102 38.566 38.460 0.006 0.000 1.011 346 Y HN -0.005 nan 8.280 nan 0.000 0.545 347 L N 0.655 121.866 121.223 -0.019 0.000 2.599 347 L HA -0.009 4.331 4.340 -0.001 0.000 0.230 347 L C 0.453 177.266 176.870 -0.095 0.000 1.141 347 L CA 0.387 55.168 54.840 -0.097 0.000 0.877 347 L CB -0.329 41.746 42.059 0.026 0.000 1.009 347 L HN 0.008 nan 8.230 nan 0.000 0.447 348 K N 1.282 121.639 120.400 -0.071 0.000 3.150 348 K HA -0.183 4.137 4.320 -0.001 0.000 0.267 348 K C -0.275 176.309 176.600 -0.027 0.000 1.028 348 K CA 1.017 57.273 56.287 -0.050 0.000 0.753 348 K CB -1.707 30.748 32.500 -0.076 0.000 1.288 348 K HN 0.537 nan 8.250 nan 0.000 0.473 349 M N -1.262 118.333 119.600 -0.008 0.000 2.197 349 M HA 0.390 4.869 4.480 -0.001 0.000 0.301 349 M C -0.449 175.855 176.300 0.006 0.000 0.987 349 M CA -0.852 54.447 55.300 -0.002 0.000 0.921 349 M CB 2.053 34.654 32.600 0.002 0.000 1.569 349 M HN -0.093 nan 8.290 nan 0.000 0.431 350 D N 3.776 124.179 120.400 0.004 0.000 2.358 350 D HA 0.171 4.810 4.640 -0.001 0.000 0.258 350 D C 0.626 176.931 176.300 0.008 0.000 1.223 350 D CA 0.009 54.013 54.000 0.007 0.000 0.886 350 D CB 0.934 41.738 40.800 0.007 0.000 1.120 350 D HN 0.846 nan 8.370 nan 0.000 0.482 351 L N 3.493 124.722 121.223 0.009 0.000 2.056 351 L HA -0.067 4.272 4.340 -0.001 0.000 0.207 351 L C 1.907 178.779 176.870 0.003 0.000 1.078 351 L CA 0.926 55.770 54.840 0.007 0.000 0.749 351 L CB -0.071 41.993 42.059 0.008 0.000 0.901 351 L HN 0.330 nan 8.230 nan 0.000 0.433 352 R N -0.493 120.009 120.500 0.004 0.000 2.426 352 R HA 0.186 4.525 4.340 -0.001 0.000 0.263 352 R C 1.809 178.115 176.300 0.009 0.000 0.961 352 R CA 0.286 56.386 56.100 0.000 0.000 1.086 352 R CB 0.173 30.472 30.300 -0.002 0.000 1.186 352 R HN 0.188 nan 8.270 nan 0.000 0.537 353 A N 0.382 123.209 122.820 0.012 0.000 2.121 353 A HA -0.018 4.302 4.320 -0.001 0.000 0.218 353 A C 2.058 179.660 177.584 0.029 0.000 1.154 353 A CA 1.418 53.466 52.037 0.019 0.000 0.679 353 A CB -0.418 18.591 19.000 0.015 0.000 0.795 353 A HN 0.443 nan 8.150 nan 0.000 0.458 354 G N 0.238 109.052 108.800 0.024 0.000 2.404 354 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.214 354 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.214 354 G C 0.991 175.927 174.900 0.060 0.000 1.189 354 G CA 1.133 46.255 45.100 0.037 0.000 0.789 354 G HN 0.527 nan 8.290 nan 0.000 0.533 355 D N 0.324 120.736 120.400 0.021 0.000 2.224 355 D HA 0.024 4.664 4.640 -0.001 0.000 0.205 355 D C 2.382 178.740 176.300 0.097 0.000 0.965 355 D CA 0.609 54.613 54.000 0.007 0.000 0.852 355 D CB 0.099 40.860 40.800 -0.066 0.000 0.947 355 D HN 0.240 nan 8.370 nan 0.000 0.494 356 K N 0.633 121.076 120.400 0.070 0.000 2.002 356 K HA -0.051 4.269 4.320 -0.001 0.000 0.209 356 K C 2.186 178.844 176.600 0.097 0.000 1.048 356 K CA 1.234 57.565 56.287 0.072 0.000 0.930 356 K CB -0.224 32.301 32.500 0.043 0.000 0.714 356 K HN 0.106 nan 8.250 nan 0.000 0.438 357 A N 0.998 123.873 122.820 0.092 0.000 2.019 357 A HA -0.159 4.161 4.320 -0.001 0.000 0.219 357 A C 1.944 179.594 177.584 0.110 0.000 1.164 357 A CA 1.020 53.104 52.037 0.079 0.000 0.644 357 A CB -0.633 18.403 19.000 0.059 0.000 0.805 357 A HN 0.396 nan 8.150 nan 0.000 0.449 358 F N 0.344 120.294 119.950 -0.002 0.000 2.060 358 F HA -0.156 4.371 4.527 -0.001 0.000 0.295 358 F C 2.200 178.000 175.800 -0.001 0.000 1.120 358 F CA 2.038 60.037 58.000 -0.002 0.000 1.205 358 F CB -0.423 38.576 39.000 -0.002 0.000 0.986 358 F HN 0.021 nan 8.300 nan 0.000 0.470 359 V N 1.217 121.412 119.914 0.468 0.000 2.250 359 V HA -0.446 3.674 4.120 -0.001 0.000 0.253 359 V C 2.778 178.897 176.094 0.041 0.000 1.065 359 V CA 2.233 64.690 62.300 0.261 0.000 1.039 359 V CB -1.605 30.334 31.823 0.192 0.000 0.647 359 V HN 0.609 nan 8.190 nan 0.000 0.446 360 A N 0.013 122.854 122.820 0.035 0.000 1.859 360 A HA -0.292 4.027 4.320 -0.001 0.000 0.217 360 A C 2.565 180.118 177.584 -0.053 0.000 1.198 360 A CA 2.980 55.014 52.037 -0.004 0.000 0.629 360 A CB -1.064 17.941 19.000 0.008 0.000 0.830 360 A HN 0.741 nan 8.150 nan 0.000 0.446 361 S N -1.002 114.642 115.700 -0.094 0.000 2.447 361 S HA -0.151 4.318 4.470 -0.001 0.000 0.233 361 S C 1.729 176.224 174.600 -0.176 0.000 1.006 361 S CA 1.312 59.437 58.200 -0.125 0.000 0.957 361 S CB -0.416 62.702 63.200 -0.137 0.000 0.773 361 S HN 0.622 nan 8.310 nan 0.000 0.507 362 Q N -0.301 119.349 119.800 -0.249 0.000 2.444 362 Q HA 0.113 4.452 4.340 -0.001 0.000 0.206 362 Q C 1.380 177.314 176.000 -0.110 0.000 0.948 362 Q CA 0.569 56.228 55.803 -0.240 0.000 0.946 362 Q CB 0.131 28.648 28.738 -0.368 0.000 1.027 362 Q HN 0.575 nan 8.270 nan 0.000 0.513 363 E N -0.493 119.662 120.200 -0.074 0.000 2.201 363 E HA 0.034 4.383 4.350 -0.001 0.000 0.193 363 E C 1.738 178.316 176.600 -0.036 0.000 0.957 363 E CA 0.600 56.978 56.400 -0.038 0.000 0.858 363 E CB 0.236 29.924 29.700 -0.019 0.000 0.816 363 E HN 0.016 nan 8.360 nan 0.000 0.475 364 S N 0.521 116.195 115.700 -0.045 0.000 2.383 364 S HA -0.137 4.332 4.470 -0.001 0.000 0.227 364 S C 1.736 176.313 174.600 -0.038 0.000 1.026 364 S CA 0.837 59.015 58.200 -0.036 0.000 0.981 364 S CB -0.166 63.011 63.200 -0.038 0.000 0.818 364 S HN 0.289 nan 8.310 nan 0.000 0.472 365 Q N 0.545 120.310 119.800 -0.058 0.000 2.437 365 Q HA 0.000 4.340 4.340 -0.001 0.000 0.210 365 Q C 1.641 177.620 176.000 -0.036 0.000 0.972 365 Q CA 0.795 56.565 55.803 -0.055 0.000 0.903 365 Q CB 0.068 28.754 28.738 -0.086 0.000 0.967 365 Q HN 0.462 nan 8.270 nan 0.000 0.486 366 K N -0.899 119.482 120.400 -0.031 0.000 2.211 366 K HA 0.057 4.377 4.320 -0.001 0.000 0.201 366 K C 1.910 178.506 176.600 -0.007 0.000 1.052 366 K CA 0.658 56.935 56.287 -0.016 0.000 0.973 366 K CB 0.155 32.646 32.500 -0.014 0.000 0.766 366 K HN 0.079 nan 8.250 nan 0.000 0.466 367 A N 1.514 124.329 122.820 -0.008 0.000 1.930 367 A HA -0.101 4.219 4.320 -0.001 0.000 0.217 367 A C 2.012 179.602 177.584 0.011 0.000 1.175 367 A CA 1.073 53.110 52.037 -0.000 0.000 0.627 367 A CB -0.462 18.537 19.000 -0.003 0.000 0.815 367 A HN 0.098 nan 8.150 nan 0.000 0.443 368 L N -1.271 119.957 121.223 0.008 0.000 1.961 368 L HA -0.217 4.123 4.340 -0.001 0.000 0.209 368 L C 2.844 179.734 176.870 0.033 0.000 1.075 368 L CA 1.979 56.832 54.840 0.021 0.000 0.749 368 L CB -1.007 41.055 42.059 0.005 0.000 0.890 368 L HN 0.474 nan 8.230 nan 0.000 0.433 369 Q N 0.303 120.114 119.800 0.018 0.000 2.217 369 Q HA -0.230 4.109 4.340 -0.001 0.000 0.209 369 Q C 1.988 178.008 176.000 0.032 0.000 0.988 369 Q CA 2.109 57.926 55.803 0.023 0.000 0.878 369 Q CB -0.215 28.528 28.738 0.008 0.000 0.909 369 Q HN 0.474 nan 8.270 nan 0.000 0.424 370 A N 0.180 123.014 122.820 0.024 0.000 1.835 370 A HA -0.298 4.022 4.320 -0.001 0.000 0.215 370 A C 2.074 179.677 177.584 0.032 0.000 1.199 370 A CA 1.844 53.893 52.037 0.019 0.000 0.615 370 A CB -1.052 17.953 19.000 0.008 0.000 0.838 370 A HN 0.626 nan 8.150 nan 0.000 0.444 371 Q N -0.597 119.231 119.800 0.046 0.000 2.061 371 Q HA -0.158 4.182 4.340 -0.001 0.000 0.204 371 Q C 1.972 178.073 176.000 0.167 0.000 0.984 371 Q CA 1.873 57.718 55.803 0.070 0.000 0.846 371 Q CB -0.343 28.454 28.738 0.099 0.000 0.902 371 Q HN 0.612 nan 8.270 nan 0.000 0.421 372 L N 0.506 121.845 121.223 0.194 0.000 2.353 372 L HA -0.155 4.185 4.340 -0.001 0.000 0.220 372 L C 1.028 178.018 176.870 0.200 0.000 1.133 372 L CA 1.334 56.326 54.840 0.253 0.000 0.798 372 L CB -0.078 42.054 42.059 0.122 0.000 0.922 372 L HN 0.233 nan 8.230 nan 0.000 0.445 373 D N -0.819 119.651 120.400 0.116 0.000 2.323 373 D HA -0.081 4.559 4.640 -0.001 0.000 0.209 373 D C 1.889 178.230 176.300 0.067 0.000 0.973 373 D CA 0.554 54.602 54.000 0.080 0.000 0.874 373 D CB 0.356 41.181 40.800 0.042 0.000 0.930 373 D HN 0.317 nan 8.370 nan 0.000 0.521 374 L N -0.726 120.522 121.223 0.042 0.000 2.007 374 L HA -0.024 4.315 4.340 -0.001 0.000 0.205 374 L C 1.879 178.747 176.870 -0.004 0.000 1.073 374 L CA 1.593 56.401 54.840 -0.054 0.000 0.744 374 L CB -0.759 41.181 42.059 -0.198 0.000 0.898 374 L HN 0.013 nan 8.230 nan 0.000 0.435 375 W N 0.036 121.364 121.300 0.047 0.000 2.304 375 W HA -0.271 4.389 4.660 -0.001 0.000 0.315 375 W C 2.649 179.234 176.519 0.111 0.000 1.233 375 W CA 1.305 58.697 57.345 0.079 0.000 1.261 375 W CB -0.528 28.924 29.460 -0.013 0.000 1.150 375 W HN 0.227 nan 8.180 nan 0.000 0.494 376 Q N -0.449 119.531 119.800 0.299 0.000 2.234 376 Q HA -0.146 4.194 4.340 -0.001 0.000 0.206 376 Q C 2.184 178.266 176.000 0.136 0.000 0.980 376 Q CA 1.793 57.707 55.803 0.184 0.000 0.869 376 Q CB -0.747 28.064 28.738 0.122 0.000 0.912 376 Q HN 0.436 nan 8.270 nan 0.000 0.436 377 A N 0.065 122.946 122.820 0.103 0.000 2.063 377 A HA -0.004 4.316 4.320 -0.001 0.000 0.211 377 A C 1.689 179.270 177.584 -0.005 0.000 1.177 377 A CA 0.261 52.320 52.037 0.036 0.000 0.759 377 A CB 0.249 19.253 19.000 0.006 0.000 0.857 377 A HN 0.085 nan 8.150 nan 0.000 0.468 378 E N -0.780 119.421 120.200 0.002 0.000 2.478 378 E HA 0.005 4.354 4.350 -0.001 0.000 0.194 378 E C 0.515 176.871 176.600 -0.406 0.000 1.045 378 E CA 0.701 56.991 56.400 -0.182 0.000 0.868 378 E CB 0.082 29.645 29.700 -0.229 0.000 0.885 378 E HN 0.835 nan 8.360 nan 0.000 0.505 379 H N -1.425 117.582 119.070 -0.105 0.000 3.207 379 H HA 0.308 4.864 4.556 -0.001 0.000 0.237 379 H C 0.754 176.027 175.328 -0.092 0.000 0.959 379 H CA 0.496 56.397 56.048 -0.245 0.000 1.091 379 H CB 1.126 30.670 29.762 -0.362 0.000 1.447 379 H HN 0.181 nan 8.280 nan 0.000 0.477 380 G N 0.930 109.803 108.800 0.122 0.000 2.814 380 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.677 380 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.677 380 G C -0.130 174.865 174.900 0.159 0.000 1.429 380 G CA 0.052 45.220 45.100 0.113 0.000 0.868 380 G HN 0.235 nan 8.290 nan 0.000 0.553 381 D N -0.125 120.342 120.400 0.112 0.000 2.077 381 D HA -0.086 4.554 4.640 -0.001 0.000 0.196 381 D C 2.760 179.121 176.300 0.101 0.000 0.986 381 D CA 1.613 55.669 54.000 0.094 0.000 0.829 381 D CB -0.151 40.682 40.800 0.056 0.000 0.983 381 D HN 0.534 nan 8.370 nan 0.000 0.453 382 I N 0.153 120.780 120.570 0.095 0.000 2.248 382 I HA -0.308 3.861 4.170 -0.001 0.000 0.248 382 I C 2.460 178.631 176.117 0.089 0.000 1.107 382 I CA 1.148 62.491 61.300 0.072 0.000 1.373 382 I CB -0.568 37.471 38.000 0.066 0.000 1.055 382 I HN 0.013 nan 8.210 nan 0.000 0.418 383 Y N 2.030 122.349 120.300 0.032 0.000 2.089 383 Y HA -0.257 4.292 4.550 -0.001 0.000 0.282 383 Y C 2.756 178.658 175.900 0.004 0.000 1.139 383 Y CA 1.819 59.943 58.100 0.039 0.000 1.123 383 Y CB -0.372 38.151 38.460 0.104 0.000 0.980 383 Y HN 0.094 nan 8.280 nan 0.000 0.493 384 A N 0.886 123.873 122.820 0.278 0.000 1.884 384 A HA -0.330 3.989 4.320 -0.001 0.000 0.219 384 A C 2.416 179.983 177.584 -0.028 0.000 1.197 384 A CA 2.785 54.897 52.037 0.124 0.000 0.637 384 A CB -1.776 17.285 19.000 0.102 0.000 0.827 384 A HN 0.698 nan 8.150 nan 0.000 0.450 385 A N -0.930 121.877 122.820 -0.022 0.000 1.908 385 A HA 0.104 4.423 4.320 -0.001 0.000 0.218 385 A C 2.340 179.857 177.584 -0.111 0.000 1.181 385 A CA 1.954 53.955 52.037 -0.059 0.000 0.627 385 A CB -1.363 17.616 19.000 -0.035 0.000 0.818 385 A HN 0.997 nan 8.150 nan 0.000 0.445 386 G N -0.250 108.463 108.800 -0.145 0.000 2.776 386 G HA2 0.127 4.086 3.960 -0.001 0.000 0.209 386 G HA3 0.127 4.086 3.960 -0.001 0.000 0.209 386 G C 1.172 175.904 174.900 -0.279 0.000 1.145 386 G CA 0.857 45.839 45.100 -0.197 0.000 0.791 386 G HN 0.856 nan 8.290 nan 0.000 0.530 387 I N -2.918 117.472 120.570 -0.300 0.000 4.139 387 I HA 0.374 4.544 4.170 -0.001 0.000 0.335 387 I C -0.174 175.808 176.117 -0.225 0.000 1.327 387 I CA -0.283 60.834 61.300 -0.306 0.000 1.112 387 I CB 0.296 38.077 38.000 -0.365 0.000 1.058 387 I HN -0.108 nan 8.210 nan 0.000 0.396 388 E N 4.333 124.420 120.200 -0.187 0.000 2.417 388 E HA 0.170 4.520 4.350 -0.001 0.000 0.261 388 E C -2.115 174.389 176.600 -0.160 0.000 1.000 388 E CA -1.697 54.609 56.400 -0.157 0.000 0.919 388 E CB 0.024 29.648 29.700 -0.128 0.000 0.955 388 E HN 0.238 nan 8.360 nan 0.000 0.455 389 P HA -0.099 nan 4.420 nan 0.000 0.267 389 P C -0.348 176.884 177.300 -0.113 0.000 1.201 389 P CA 0.417 63.441 63.100 -0.128 0.000 0.775 389 P CB 0.728 32.372 31.700 -0.093 0.000 0.854 390 A N 1.801 124.567 122.820 -0.090 0.000 2.480 390 A HA 0.171 4.491 4.320 -0.001 0.000 0.191 390 A C 0.111 177.668 177.584 -0.045 0.000 1.503 390 A CA -0.045 51.942 52.037 -0.083 0.000 1.110 390 A CB -0.453 18.495 19.000 -0.087 0.000 1.401 390 A HN 0.468 nan 8.150 nan 0.000 0.533 391 F N 1.906 121.793 119.950 -0.105 0.000 2.495 391 F HA 0.514 5.041 4.527 -0.001 0.000 0.365 391 F C -0.493 175.219 175.800 -0.147 0.000 1.090 391 F CA -0.199 57.756 58.000 -0.074 0.000 1.235 391 F CB 0.602 39.625 39.000 0.040 0.000 1.119 391 F HN 0.111 nan 8.300 nan 0.000 0.562 392 D N 8.037 127.749 120.400 -1.146 0.000 2.470 392 D HA 0.317 4.957 4.640 -0.001 0.000 0.233 392 D C -2.211 173.444 176.300 -1.076 0.000 1.372 392 D CA -1.998 51.426 54.000 -0.960 0.000 0.994 392 D CB 1.960 42.442 40.800 -0.531 0.000 1.377 392 D HN 0.138 nan 8.370 nan 0.000 0.586 393 P HA -0.148 nan 4.420 nan 0.000 0.218 393 P C 1.356 178.341 177.300 -0.524 0.000 1.150 393 P CA 1.113 63.702 63.100 -0.853 0.000 0.841 393 P CB 0.193 31.621 31.700 -0.453 0.000 0.784 394 L N -1.820 119.155 121.223 -0.413 0.000 2.478 394 L HA -0.019 4.321 4.340 -0.001 0.000 0.223 394 L C 1.890 178.589 176.870 -0.284 0.000 1.140 394 L CA 1.136 55.809 54.840 -0.278 0.000 0.842 394 L CB -0.638 41.287 42.059 -0.223 0.000 0.953 394 L HN -0.001 nan 8.230 nan 0.000 0.452 395 K N 0.691 120.852 120.400 -0.399 0.000 2.356 395 K HA 0.212 4.532 4.320 -0.001 0.000 0.195 395 K C 0.969 177.438 176.600 -0.218 0.000 1.037 395 K CA 0.002 56.041 56.287 -0.414 0.000 1.014 395 K CB 0.308 32.342 32.500 -0.776 0.000 0.815 395 K HN 0.157 nan 8.250 nan 0.000 0.507 396 A N 2.586 125.250 122.820 -0.260 0.000 2.561 396 A HA -0.014 4.306 4.320 -0.001 0.000 0.251 396 A C -0.319 177.224 177.584 -0.068 0.000 1.062 396 A CA 0.410 52.359 52.037 -0.147 0.000 0.761 396 A CB -0.004 18.849 19.000 -0.246 0.000 0.986 396 A HN 0.196 nan 8.150 nan 0.000 0.510 397 R N 2.153 122.607 120.500 -0.077 0.000 2.445 397 R HA 0.539 4.878 4.340 -0.001 0.000 0.308 397 R C -1.364 174.681 176.300 -0.426 0.000 0.961 397 R CA -0.733 55.270 56.100 -0.161 0.000 0.862 397 R CB 1.924 32.176 30.300 -0.080 0.000 1.144 397 R HN 0.411 nan 8.270 nan 0.000 0.447 398 V N 4.396 124.142 119.914 -0.281 0.000 2.384 398 V HA 0.320 4.439 4.120 -0.001 0.000 0.287 398 V C -1.173 174.875 176.094 -0.076 0.000 1.020 398 V CA -0.736 61.408 62.300 -0.259 0.000 0.850 398 V CB 1.174 32.950 31.823 -0.079 0.000 0.987 398 V HN 0.546 nan 8.190 nan 0.000 0.436 399 Y N 3.802 123.978 120.300 -0.207 0.000 2.345 399 Y HA 0.523 5.073 4.550 -0.001 0.000 0.331 399 Y C 0.413 175.943 175.900 -0.617 0.000 0.959 399 Y CA -2.130 55.751 58.100 -0.364 0.000 1.204 399 Y CB 1.248 39.417 38.460 -0.485 0.000 1.135 399 Y HN 0.851 nan 8.280 nan 0.000 0.477 400 D N -1.567 118.804 120.400 -0.047 0.000 2.530 400 D HA 0.001 4.641 4.640 -0.001 0.000 0.253 400 D C -0.005 176.462 176.300 0.279 0.000 1.338 400 D CA -0.028 54.035 54.000 0.106 0.000 0.806 400 D CB -0.398 40.471 40.800 0.115 0.000 1.160 400 D HN 0.185 nan 8.370 nan 0.000 0.514 401 S N 0.395 116.222 115.700 0.212 0.000 3.697 401 S HA 0.195 4.664 4.470 -0.001 0.000 0.207 401 S C 1.485 175.803 174.600 -0.471 0.000 1.459 401 S CA 0.069 58.081 58.200 -0.313 0.000 1.122 401 S CB -0.219 62.505 63.200 -0.793 0.000 1.311 401 S HN 0.244 nan 8.310 nan 0.000 0.487 402 S N 2.405 118.135 115.700 0.050 0.000 2.365 402 S HA -0.221 4.249 4.470 -0.001 0.000 0.225 402 S C 1.962 176.487 174.600 -0.125 0.000 1.039 402 S CA 1.021 59.239 58.200 0.029 0.000 1.033 402 S CB -1.271 62.001 63.200 0.120 0.000 0.887 402 S HN 0.935 nan 8.310 nan 0.000 0.447 403 W N 2.822 124.082 121.300 -0.066 0.000 2.301 403 W HA -0.216 4.444 4.660 -0.000 0.000 0.325 403 W C 2.157 178.577 176.519 -0.165 0.000 1.250 403 W CA 1.315 58.607 57.345 -0.088 0.000 1.261 403 W CB -1.707 27.706 29.460 -0.078 0.000 1.157 403 W HN 0.428 nan 8.180 nan 0.000 0.473 404 N N 0.555 118.610 118.700 -1.075 0.000 2.149 404 N HA -0.198 4.542 4.740 -0.001 0.000 0.188 404 N C 1.723 176.884 175.510 -0.581 0.000 1.019 404 N CA 2.222 54.665 53.050 -1.012 0.000 0.857 404 N CB -0.782 36.577 38.487 -1.879 0.000 0.997 404 N HN 0.368 nan 8.380 nan 0.000 0.426 405 W N 1.263 122.379 121.300 -0.306 0.000 2.402 405 W HA 0.013 4.673 4.660 -0.000 0.000 0.286 405 W C 2.642 179.096 176.519 -0.108 0.000 1.221 405 W CA 0.250 57.478 57.345 -0.195 0.000 1.257 405 W CB -0.226 29.104 29.460 -0.216 0.000 1.120 405 W HN 0.101 nan 8.180 nan 0.000 0.551 406 A N 1.781 124.666 122.820 0.109 0.000 1.849 406 A HA -0.274 4.046 4.320 -0.001 0.000 0.217 406 A C 1.902 179.575 177.584 0.148 0.000 1.202 406 A CA 2.240 54.344 52.037 0.112 0.000 0.629 406 A CB -1.055 18.009 19.000 0.108 0.000 0.834 406 A HN 0.330 nan 8.150 nan 0.000 0.447 407 R N -0.571 120.008 120.500 0.131 0.000 2.139 407 R HA -0.223 4.117 4.340 -0.001 0.000 0.243 407 R C 2.476 178.925 176.300 0.248 0.000 1.145 407 R CA 1.716 57.936 56.100 0.199 0.000 0.976 407 R CB -0.393 29.758 30.300 -0.249 0.000 0.866 407 R HN 0.844 nan 8.270 nan 0.000 0.449 408 Q N 1.042 120.929 119.800 0.144 0.000 2.020 408 Q HA -0.166 4.174 4.340 -0.001 0.000 0.198 408 Q C 1.120 177.207 176.000 0.145 0.000 0.974 408 Q CA 1.853 57.748 55.803 0.154 0.000 0.829 408 Q CB 0.126 28.983 28.738 0.198 0.000 0.894 408 Q HN 0.211 nan 8.270 nan 0.000 0.433 409 D N 0.638 121.114 120.400 0.125 0.000 2.144 409 D HA -0.124 4.516 4.640 -0.001 0.000 0.199 409 D C 1.686 178.045 176.300 0.099 0.000 0.984 409 D CA 1.223 55.272 54.000 0.081 0.000 0.834 409 D CB -0.434 40.396 40.800 0.051 0.000 0.955 409 D HN 0.430 nan 8.370 nan 0.000 0.465 410 A N 1.275 124.176 122.820 0.135 0.000 1.837 410 A HA -0.175 4.145 4.320 -0.001 0.000 0.216 410 A C 2.254 179.900 177.584 0.104 0.000 1.210 410 A CA 1.466 53.579 52.037 0.127 0.000 0.632 410 A CB -1.201 17.917 19.000 0.196 0.000 0.843 410 A HN 0.293 nan 8.150 nan 0.000 0.448 411 L N -0.413 120.886 121.223 0.127 0.000 2.187 411 L HA -0.159 4.180 4.340 -0.001 0.000 0.213 411 L C 2.634 179.635 176.870 0.218 0.000 1.100 411 L CA 1.910 56.777 54.840 0.046 0.000 0.765 411 L CB -0.176 41.952 42.059 0.115 0.000 0.904 411 L HN 0.474 nan 8.230 nan 0.000 0.437 412 S N -0.681 115.128 115.700 0.181 0.000 2.368 412 S HA -0.233 4.237 4.470 -0.001 0.000 0.224 412 S C 2.004 176.713 174.600 0.181 0.000 1.029 412 S CA 1.574 59.873 58.200 0.166 0.000 0.988 412 S CB -0.201 63.047 63.200 0.080 0.000 0.838 412 S HN 0.564 nan 8.310 nan 0.000 0.462 413 M N -0.305 119.377 119.600 0.137 0.000 2.156 413 M HA -0.059 4.421 4.480 -0.001 0.000 0.264 413 M C 1.881 178.254 176.300 0.122 0.000 1.067 413 M CA 1.570 56.931 55.300 0.101 0.000 1.131 413 M CB -0.424 32.211 32.600 0.059 0.000 1.368 413 M HN 0.608 nan 8.290 nan 0.000 0.416 414 Y N 0.323 120.606 120.300 -0.029 0.000 2.040 414 Y HA -0.382 4.168 4.550 -0.001 0.000 0.275 414 Y C 1.666 177.492 175.900 -0.123 0.000 1.171 414 Y CA 2.397 60.417 58.100 -0.134 0.000 1.123 414 Y CB -0.709 37.594 38.460 -0.262 0.000 0.963 414 Y HN 0.246 nan 8.280 nan 0.000 0.493 415 Y N 0.474 121.035 120.300 0.435 0.000 2.421 415 Y HA -0.194 4.356 4.550 -0.001 0.000 0.292 415 Y C 2.217 178.294 175.900 0.294 0.000 1.136 415 Y CA 1.117 59.451 58.100 0.391 0.000 1.255 415 Y CB -0.327 38.360 38.460 0.379 0.000 0.991 415 Y HN 0.255 nan 8.280 nan 0.000 0.552 416 D N 0.177 120.744 120.400 0.280 0.000 2.117 416 D HA -0.154 4.486 4.640 -0.001 0.000 0.198 416 D C 2.169 178.531 176.300 0.105 0.000 0.982 416 D CA 1.220 55.320 54.000 0.166 0.000 0.828 416 D CB -0.239 40.612 40.800 0.084 0.000 0.967 416 D HN 0.314 nan 8.370 nan 0.000 0.464 417 I N 0.963 121.535 120.570 0.004 0.000 2.179 417 I HA -0.220 3.949 4.170 -0.001 0.000 0.242 417 I C 2.303 178.337 176.117 -0.138 0.000 1.088 417 I CA 0.732 61.980 61.300 -0.085 0.000 1.357 417 I CB -0.044 37.853 38.000 -0.171 0.000 1.051 417 I HN -0.030 nan 8.210 nan 0.000 0.409 418 I N -0.374 120.044 120.570 -0.253 0.000 2.530 418 I HA -0.282 3.888 4.170 -0.001 0.000 0.257 418 I C 1.809 177.681 176.117 -0.408 0.000 1.179 418 I CA 1.622 62.626 61.300 -0.493 0.000 1.440 418 I CB -0.392 37.130 38.000 -0.797 0.000 1.087 418 I HN 0.178 nan 8.210 nan 0.000 0.440 419 F N 0.378 120.272 119.950 -0.093 0.000 2.746 419 F HA 0.269 4.796 4.527 -0.000 0.000 0.297 419 F C 1.785 177.569 175.800 -0.026 0.000 1.113 419 F CA 0.609 58.593 58.000 -0.027 0.000 1.367 419 F CB 0.294 39.303 39.000 0.015 0.000 1.111 419 F HN 0.149 nan 8.300 nan 0.000 0.590 420 G N 0.815 109.675 108.800 0.100 0.000 2.149 420 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.235 420 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.235 420 G C 1.114 176.050 174.900 0.060 0.000 1.018 420 G CA 0.229 45.360 45.100 0.051 0.000 0.728 420 G HN 0.351 nan 8.290 nan 0.000 0.508 421 R N -1.022 119.524 120.500 0.077 0.000 2.193 421 R HA 0.306 4.646 4.340 -0.001 0.000 0.213 421 R C 1.016 177.327 176.300 0.017 0.000 1.055 421 R CA 0.717 56.842 56.100 0.040 0.000 0.995 421 R CB 0.168 30.488 30.300 0.033 0.000 0.893 421 R HN 0.445 nan 8.270 nan 0.000 0.459 422 L N 1.353 122.585 121.223 0.014 0.000 2.356 422 L HA 0.432 4.771 4.340 -0.001 0.000 0.277 422 L C -0.466 176.396 176.870 -0.013 0.000 0.996 422 L CA -0.742 54.096 54.840 -0.004 0.000 0.822 422 L CB 2.025 44.079 42.059 -0.008 0.000 1.256 422 L HN 0.006 nan 8.230 nan 0.000 0.413 423 R N 1.725 122.216 120.500 -0.014 0.000 2.720 423 R HA 0.378 4.717 4.340 -0.001 0.000 0.272 423 R C 0.738 177.024 176.300 -0.022 0.000 0.991 423 R CA -0.877 55.212 56.100 -0.019 0.000 1.010 423 R CB 1.698 31.990 30.300 -0.015 0.000 1.141 423 R HN 0.377 nan 8.270 nan 0.000 0.494 424 V N 1.076 120.975 119.914 -0.025 0.000 3.241 424 V HA -0.148 3.971 4.120 -0.001 0.000 0.269 424 V C 1.998 178.080 176.094 -0.021 0.000 1.151 424 V CA 0.869 63.154 62.300 -0.025 0.000 1.158 424 V CB -0.867 30.940 31.823 -0.026 0.000 0.764 424 V HN 0.594 nan 8.190 nan 0.000 0.508 425 V N 0.058 119.960 119.914 -0.019 0.000 2.220 425 V HA -0.205 3.914 4.120 -0.001 0.000 0.242 425 V C 0.813 176.896 176.094 -0.018 0.000 1.041 425 V CA 1.272 63.562 62.300 -0.017 0.000 0.990 425 V CB -0.796 31.017 31.823 -0.016 0.000 0.634 425 V HN 0.550 nan 8.190 nan 0.000 0.452 426 D N 1.266 121.655 120.400 -0.018 0.000 2.982 426 D HA -0.111 4.528 4.640 -0.001 0.000 0.222 426 D C 1.307 177.595 176.300 -0.020 0.000 1.124 426 D CA 0.342 54.331 54.000 -0.018 0.000 0.810 426 D CB 0.140 40.930 40.800 -0.017 0.000 1.152 426 D HN 0.190 nan 8.370 nan 0.000 0.538 427 R N 2.357 122.845 120.500 -0.020 0.000 2.211 427 R HA -0.157 4.183 4.340 -0.001 0.000 0.240 427 R C 1.594 177.877 176.300 -0.027 0.000 1.144 427 R CA 0.638 56.724 56.100 -0.022 0.000 0.992 427 R CB 0.018 30.306 30.300 -0.019 0.000 0.869 427 R HN 0.524 nan 8.270 nan 0.000 0.462 428 E N 0.819 121.004 120.200 -0.025 0.000 2.049 428 E HA -0.181 4.169 4.350 -0.001 0.000 0.198 428 E C 2.085 178.669 176.600 -0.027 0.000 1.007 428 E CA 1.081 57.464 56.400 -0.027 0.000 0.809 428 E CB -0.283 29.402 29.700 -0.025 0.000 0.749 428 E HN 0.338 nan 8.360 nan 0.000 0.450 429 I N 0.785 121.341 120.570 -0.023 0.000 2.236 429 I HA -0.299 3.870 4.170 -0.001 0.000 0.249 429 I C 2.409 178.512 176.117 -0.022 0.000 1.102 429 I CA 0.881 62.169 61.300 -0.021 0.000 1.365 429 I CB -0.468 37.519 38.000 -0.022 0.000 1.051 429 I HN -0.021 nan 8.210 nan 0.000 0.420 430 V N 0.140 120.038 119.914 -0.026 0.000 2.223 430 V HA -0.274 3.846 4.120 -0.001 0.000 0.244 430 V C 2.512 178.586 176.094 -0.033 0.000 1.045 430 V CA 2.157 64.440 62.300 -0.029 0.000 1.000 430 V CB -0.829 30.974 31.823 -0.033 0.000 0.635 430 V HN 0.356 nan 8.190 nan 0.000 0.445 431 S N -0.408 115.269 115.700 -0.039 0.000 2.380 431 S HA -0.365 4.105 4.470 -0.001 0.000 0.229 431 S C 2.017 176.598 174.600 -0.033 0.000 1.050 431 S CA 2.248 60.422 58.200 -0.043 0.000 1.100 431 S CB -0.517 62.655 63.200 -0.047 0.000 0.984 431 S HN 0.665 nan 8.310 nan 0.000 0.434 432 Q N -0.360 119.423 119.800 -0.028 0.000 2.077 432 Q HA -0.188 4.151 4.340 -0.001 0.000 0.206 432 Q C 2.556 178.549 176.000 -0.011 0.000 0.989 432 Q CA 1.596 57.386 55.803 -0.021 0.000 0.853 432 Q CB -0.627 28.102 28.738 -0.016 0.000 0.907 432 Q HN 0.557 nan 8.270 nan 0.000 0.418 433 C N 0.551 119.845 119.300 -0.010 0.000 2.401 433 C HA -0.158 4.301 4.460 -0.001 0.000 0.276 433 C C 2.632 177.620 174.990 -0.003 0.000 1.233 433 C CA 0.631 59.647 59.018 -0.004 0.000 1.753 433 C CB -0.986 26.749 27.740 -0.008 0.000 2.029 433 C HN 0.457 nan 8.230 nan 0.000 0.478 434 I N -0.109 120.453 120.570 -0.013 0.000 2.226 434 I HA -0.231 3.939 4.170 -0.001 0.000 0.245 434 I C 2.595 178.710 176.117 -0.004 0.000 1.100 434 I CA 1.394 62.686 61.300 -0.013 0.000 1.374 434 I CB -0.717 37.267 38.000 -0.027 0.000 1.057 434 I HN 0.286 nan 8.210 nan 0.000 0.413 435 Q N 1.012 120.807 119.800 -0.007 0.000 2.050 435 Q HA -0.099 4.240 4.340 -0.001 0.000 0.202 435 Q C 2.211 178.215 176.000 0.007 0.000 0.980 435 Q CA 1.617 57.415 55.803 -0.008 0.000 0.840 435 Q CB -0.292 28.432 28.738 -0.025 0.000 0.898 435 Q HN 0.518 nan 8.270 nan 0.000 0.424 436 I N -0.310 120.269 120.570 0.016 0.000 2.264 436 I HA -0.303 3.866 4.170 -0.001 0.000 0.248 436 I C 2.056 178.197 176.117 0.039 0.000 1.111 436 I CA 1.152 62.474 61.300 0.037 0.000 1.382 436 I CB -0.465 37.562 38.000 0.043 0.000 1.060 436 I HN 0.292 nan 8.210 nan 0.000 0.418 437 M N 0.220 119.837 119.600 0.027 0.000 2.175 437 M HA -0.153 4.327 4.480 -0.001 0.000 0.264 437 M C 1.869 178.186 176.300 0.029 0.000 1.063 437 M CA 1.486 56.802 55.300 0.027 0.000 1.119 437 M CB -0.699 31.911 32.600 0.016 0.000 1.377 437 M HN 0.231 nan 8.290 nan 0.000 0.415 438 N N 1.308 120.022 118.700 0.024 0.000 2.289 438 N HA -0.087 4.652 4.740 -0.001 0.000 0.184 438 N C 0.220 175.752 175.510 0.037 0.000 1.016 438 N CA 0.974 54.040 53.050 0.026 0.000 0.872 438 N CB -0.053 38.445 38.487 0.020 0.000 0.973 438 N HN 0.422 nan 8.380 nan 0.000 0.433 439 R N -0.013 120.513 120.500 0.043 0.000 3.301 439 R HA 0.335 4.674 4.340 -0.001 0.000 0.286 439 R C -0.560 175.785 176.300 0.075 0.000 1.386 439 R CA -0.194 55.944 56.100 0.063 0.000 1.607 439 R CB 0.613 30.952 30.300 0.064 0.000 1.305 439 R HN -0.177 nan 8.270 nan 0.000 0.637 440 S N 1.735 117.474 115.700 0.065 0.000 2.416 440 S HA 0.261 4.731 4.470 -0.001 0.000 0.287 440 S C -0.244 174.397 174.600 0.069 0.000 1.139 440 S CA -0.442 57.798 58.200 0.065 0.000 1.058 440 S CB 0.199 63.429 63.200 0.050 0.000 0.967 440 S HN 0.358 nan 8.310 nan 0.000 0.495 441 N N 3.474 122.222 118.700 0.080 0.000 2.335 441 N HA 0.440 5.179 4.740 -0.001 0.000 0.304 441 N C -1.987 173.561 175.510 0.063 0.000 1.135 441 N CA -2.009 51.084 53.050 0.070 0.000 0.817 441 N CB 1.415 39.952 38.487 0.083 0.000 1.294 441 N HN 0.110 nan 8.380 nan 0.000 0.497 442 P HA -0.076 nan 4.420 nan 0.000 0.215 442 P C 1.070 178.399 177.300 0.048 0.000 1.157 442 P CA 1.207 64.330 63.100 0.039 0.000 0.868 442 P CB 0.309 32.023 31.700 0.022 0.000 0.788 443 L N -1.609 119.638 121.223 0.040 0.000 2.141 443 L HA -0.103 4.236 4.340 -0.001 0.000 0.209 443 L C 2.565 179.496 176.870 0.103 0.000 1.094 443 L CA 1.327 56.191 54.840 0.041 0.000 0.763 443 L CB -1.464 40.596 42.059 0.001 0.000 0.908 443 L HN -0.068 nan 8.230 nan 0.000 0.437 444 L N -0.609 120.688 121.223 0.124 0.000 2.017 444 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 444 L C 2.503 179.491 176.870 0.197 0.000 1.073 444 L CA 1.421 56.376 54.840 0.193 0.000 0.745 444 L CB -0.108 42.048 42.059 0.162 0.000 0.894 444 L HN 0.269 nan 8.230 nan 0.000 0.432 445 L N -0.329 120.970 121.223 0.127 0.000 2.012 445 L HA -0.283 4.056 4.340 -0.001 0.000 0.210 445 L C 2.533 179.469 176.870 0.111 0.000 1.073 445 L CA 1.679 56.580 54.840 0.102 0.000 0.748 445 L CB -0.725 41.377 42.059 0.071 0.000 0.891 445 L HN 0.324 nan 8.230 nan 0.000 0.431 446 E N -0.209 120.057 120.200 0.111 0.000 2.033 446 E HA -0.298 4.051 4.350 -0.001 0.000 0.199 446 E C 2.074 178.772 176.600 0.165 0.000 1.011 446 E CA 1.848 58.312 56.400 0.107 0.000 0.815 446 E CB -0.382 29.357 29.700 0.066 0.000 0.755 446 E HN 0.367 nan 8.360 nan 0.000 0.451 447 F N 1.491 121.475 119.950 0.056 0.000 2.161 447 F HA -0.223 4.304 4.527 -0.001 0.000 0.300 447 F C 2.151 178.084 175.800 0.223 0.000 1.089 447 F CA 1.353 59.424 58.000 0.120 0.000 1.282 447 F CB -0.099 38.950 39.000 0.083 0.000 1.010 447 F HN -0.043 nan 8.300 nan 0.000 0.485 448 M N -0.258 119.371 119.600 0.049 0.000 2.066 448 M HA -0.267 4.213 4.480 -0.001 0.000 0.259 448 M C 2.349 178.658 176.300 0.016 0.000 1.074 448 M CA 1.922 57.207 55.300 -0.025 0.000 1.114 448 M CB -1.345 31.286 32.600 0.052 0.000 1.306 448 M HN 0.211 nan 8.290 nan 0.000 0.411 449 Q N -0.699 119.136 119.800 0.058 0.000 2.061 449 Q HA -0.232 4.108 4.340 -0.001 0.000 0.204 449 Q C 1.980 178.018 176.000 0.063 0.000 0.984 449 Q CA 2.064 57.903 55.803 0.060 0.000 0.846 449 Q CB -0.403 28.374 28.738 0.064 0.000 0.902 449 Q HN 0.486 nan 8.270 nan 0.000 0.421 450 Y N 0.347 120.613 120.300 -0.058 0.000 2.069 450 Y HA -0.374 4.175 4.550 -0.001 0.000 0.278 450 Y C 2.123 177.899 175.900 -0.207 0.000 1.175 450 Y CA 2.177 60.177 58.100 -0.166 0.000 1.134 450 Y CB -0.211 38.053 38.460 -0.325 0.000 0.965 450 Y HN 0.298 nan 8.280 nan 0.000 0.498 451 H N -1.222 117.854 119.070 0.010 0.000 2.491 451 H HA -0.108 4.447 4.556 -0.001 0.000 0.290 451 H C 2.106 177.436 175.328 0.003 0.000 1.050 451 H CA 1.549 57.532 56.048 -0.109 0.000 1.309 451 H CB 0.078 29.611 29.762 -0.383 0.000 1.392 451 H HN 0.410 nan 8.280 nan 0.000 0.554 452 I N 0.993 121.633 120.570 0.118 0.000 2.400 452 I HA -0.145 4.025 4.170 -0.001 0.000 0.248 452 I C 1.645 177.796 176.117 0.057 0.000 1.109 452 I CA 0.865 62.237 61.300 0.121 0.000 1.425 452 I CB -0.097 37.946 38.000 0.073 0.000 1.094 452 I HN -0.023 nan 8.210 nan 0.000 0.425 453 D N -0.027 120.384 120.400 0.018 0.000 2.088 453 D HA -0.208 4.432 4.640 -0.001 0.000 0.191 453 D C 1.837 178.101 176.300 -0.061 0.000 0.992 453 D CA 1.696 55.687 54.000 -0.016 0.000 0.831 453 D CB -0.679 40.133 40.800 0.020 0.000 0.973 453 D HN 0.499 nan 8.370 nan 0.000 0.447 454 H N -0.623 118.264 119.070 -0.305 0.000 2.553 454 H HA 0.099 4.654 4.556 -0.001 0.000 0.269 454 H C 0.508 175.778 175.328 -0.096 0.000 1.011 454 H CA -0.496 55.393 56.048 -0.265 0.000 1.150 454 H CB -0.253 29.219 29.762 -0.484 0.000 1.339 454 H HN 0.091 nan 8.280 nan 0.000 0.604 455 C N 4.112 123.470 119.300 0.097 0.000 2.592 455 C HA 0.062 4.521 4.460 -0.001 0.000 0.408 455 C C -1.897 173.147 174.990 0.090 0.000 1.436 455 C CA -1.351 57.774 59.018 0.178 0.000 1.595 455 C CB -0.402 27.445 27.740 0.179 0.000 2.487 455 C HN 0.244 nan 8.230 nan 0.000 0.610 456 P HA 0.197 nan 4.420 nan 0.000 0.279 456 P C 0.610 177.823 177.300 -0.145 0.000 1.318 456 P CA 0.135 63.185 63.100 -0.084 0.000 0.819 456 P CB 0.699 32.282 31.700 -0.195 0.000 0.927 457 T N -0.833 113.669 114.554 -0.087 0.000 3.051 457 T HA -0.073 4.277 4.350 -0.001 0.000 0.255 457 T C 0.913 175.550 174.700 -0.104 0.000 1.085 457 T CA 0.206 62.277 62.100 -0.049 0.000 1.109 457 T CB -0.241 68.610 68.868 -0.028 0.000 0.921 457 T HN 0.359 nan 8.240 nan 0.000 0.488 458 E N 2.176 122.289 120.200 -0.144 0.000 2.705 458 E HA 0.112 4.462 4.350 -0.001 0.000 0.272 458 E C 0.727 177.211 176.600 -0.195 0.000 1.528 458 E CA -0.118 56.199 56.400 -0.138 0.000 1.750 458 E CB -0.130 29.499 29.700 -0.118 0.000 1.439 458 E HN 0.520 nan 8.360 nan 0.000 0.449 459 R N -0.686 119.669 120.500 -0.242 0.000 2.716 459 R HA 0.274 4.614 4.340 -0.001 0.000 0.186 459 R C 0.647 176.888 176.300 -0.098 0.000 0.830 459 R CA 0.598 56.532 56.100 -0.277 0.000 1.059 459 R CB 1.179 31.069 30.300 -0.684 0.000 1.531 459 R HN 0.248 nan 8.270 nan 0.000 0.633 460 G N 0.014 108.819 108.800 0.008 0.000 2.646 460 G HA2 0.208 4.167 3.960 -0.001 0.000 0.291 460 G HA3 0.208 4.167 3.960 -0.001 0.000 0.291 460 G C -0.428 174.518 174.900 0.077 0.000 1.445 460 G CA -0.556 44.595 45.100 0.086 0.000 0.814 460 G HN -0.019 nan 8.290 nan 0.000 0.495 461 E N -0.430 119.788 120.200 0.031 0.000 2.153 461 E HA -0.156 4.193 4.350 -0.001 0.000 0.194 461 E C 2.594 179.190 176.600 -0.008 0.000 0.988 461 E CA 1.867 58.270 56.400 0.005 0.000 0.811 461 E CB -0.054 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 -0.904 113.638 114.554 -0.019 0.000 2.746 462 T HA -0.209 4.141 4.350 -0.001 0.000 0.267 462 T C 1.804 176.409 174.700 -0.159 0.000 1.039 462 T CA 1.003 63.040 62.100 -0.105 0.000 1.142 462 T CB -0.679 68.087 68.868 -0.170 0.000 0.866 462 T HN 0.153 nan 8.240 nan 0.000 0.444 463 Y N 1.755 121.958 120.300 -0.162 0.000 2.207 463 Y HA -0.094 4.455 4.550 -0.001 0.000 0.287 463 Y C 3.050 178.850 175.900 -0.167 0.000 1.156 463 Y CA 1.531 59.516 58.100 -0.191 0.000 1.182 463 Y CB -0.496 37.882 38.460 -0.137 0.000 0.979 463 Y HN 0.248 nan 8.280 nan 0.000 0.521 464 Q N 0.100 119.923 119.800 0.039 0.000 1.990 464 Q HA -0.175 4.165 4.340 -0.001 0.000 0.200 464 Q C 2.188 178.157 176.000 -0.052 0.000 0.980 464 Q CA 1.486 57.282 55.803 -0.011 0.000 0.832 464 Q CB -0.666 28.067 28.738 -0.009 0.000 0.897 464 Q HN 0.405 nan 8.270 nan 0.000 0.427 465 L N 0.396 121.582 121.223 -0.062 0.000 2.137 465 L HA -0.192 4.148 4.340 -0.001 0.000 0.213 465 L C 1.887 178.691 176.870 -0.110 0.000 1.085 465 L CA 2.378 57.172 54.840 -0.076 0.000 0.760 465 L CB -1.238 40.777 42.059 -0.074 0.000 0.893 465 L HN 0.305 nan 8.230 nan 0.000 0.434 466 A N -0.252 122.465 122.820 -0.172 0.000 1.825 466 A HA -0.260 4.060 4.320 -0.001 0.000 0.214 466 A C 2.420 179.900 177.584 -0.174 0.000 1.206 466 A CA 1.833 53.719 52.037 -0.251 0.000 0.609 466 A CB -0.829 17.878 19.000 -0.488 0.000 0.851 466 A HN 0.485 nan 8.150 nan 0.000 0.445 467 K N -0.031 120.284 120.400 -0.142 0.000 2.144 467 K HA -0.279 4.041 4.320 -0.001 0.000 0.209 467 K C 2.000 178.572 176.600 -0.047 0.000 1.047 467 K CA 2.113 58.360 56.287 -0.067 0.000 0.927 467 K CB -0.181 32.299 32.500 -0.033 0.000 0.716 467 K HN 0.684 nan 8.250 nan 0.000 0.454 468 E N 0.512 120.681 120.200 -0.052 0.000 2.001 468 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 468 E C 2.057 178.635 176.600 -0.037 0.000 0.994 468 E CA 1.465 57.841 56.400 -0.039 0.000 0.815 468 E CB -0.204 29.474 29.700 -0.038 0.000 0.770 468 E HN 0.346 nan 8.360 nan 0.000 0.453 469 L N 0.630 121.825 121.223 -0.047 0.000 2.137 469 L HA -0.187 4.152 4.340 -0.001 0.000 0.213 469 L C 2.549 179.400 176.870 -0.031 0.000 1.085 469 L CA 1.192 56.008 54.840 -0.040 0.000 0.760 469 L CB -0.759 41.269 42.059 -0.051 0.000 0.893 469 L HN 0.385 nan 8.230 nan 0.000 0.434 470 G N -0.773 108.004 108.800 -0.037 0.000 2.484 470 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.215 470 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.215 470 G C 1.467 176.367 174.900 -0.001 0.000 1.219 470 G CA 0.712 45.804 45.100 -0.014 0.000 0.791 470 G HN 0.261 nan 8.290 nan 0.000 0.550 471 Q N 0.208 120.005 119.800 -0.004 0.000 2.135 471 Q HA -0.134 4.206 4.340 -0.001 0.000 0.204 471 Q C 2.509 178.509 176.000 0.000 0.000 0.981 471 Q CA 2.096 57.900 55.803 0.001 0.000 0.856 471 Q CB -0.555 28.180 28.738 -0.004 0.000 0.902 471 Q HN 0.694 nan 8.270 nan 0.000 0.425 472 Q N -0.619 119.177 119.800 -0.006 0.000 2.014 472 Q HA -0.227 4.112 4.340 -0.001 0.000 0.207 472 Q C 2.011 178.011 176.000 0.000 0.000 0.993 472 Q CA 1.953 57.753 55.803 -0.005 0.000 0.850 472 Q CB -0.382 28.349 28.738 -0.011 0.000 0.916 472 Q HN 0.476 nan 8.270 nan 0.000 0.417 473 L N 0.853 122.076 121.223 0.001 0.000 2.046 473 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 473 L C 2.257 179.137 176.870 0.016 0.000 1.077 473 L CA 1.583 56.428 54.840 0.008 0.000 0.747 473 L CB -0.439 41.626 42.059 0.010 0.000 0.896 473 L HN 0.343 nan 8.230 nan 0.000 0.432 474 I N -0.595 119.987 120.570 0.019 0.000 2.264 474 I HA -0.256 3.914 4.170 -0.001 0.000 0.248 474 I C 2.363 178.494 176.117 0.023 0.000 1.111 474 I CA 1.056 62.371 61.300 0.027 0.000 1.382 474 I CB -0.576 37.441 38.000 0.028 0.000 1.060 474 I HN 0.347 nan 8.210 nan 0.000 0.418 475 E N 0.840 121.049 120.200 0.016 0.000 2.046 475 E HA -0.143 4.207 4.350 -0.001 0.000 0.190 475 E C 1.893 178.500 176.600 0.013 0.000 0.982 475 E CA 0.851 57.259 56.400 0.013 0.000 0.800 475 E CB -0.502 29.202 29.700 0.007 0.000 0.756 475 E HN 0.469 nan 8.360 nan 0.000 0.449 476 N N 1.128 119.834 118.700 0.011 0.000 2.011 476 N HA -0.174 4.566 4.740 -0.001 0.000 0.199 476 N C 2.078 177.598 175.510 0.015 0.000 1.047 476 N CA 1.661 54.717 53.050 0.010 0.000 0.863 476 N CB -0.907 37.584 38.487 0.007 0.000 1.056 476 N HN 0.200 nan 8.380 nan 0.000 0.427 477 C N 1.184 120.497 119.300 0.021 0.000 2.403 477 C HA -0.081 4.379 4.460 -0.001 0.000 0.282 477 C C 2.424 177.432 174.990 0.028 0.000 1.297 477 C CA 0.314 59.350 59.018 0.029 0.000 1.785 477 C CB -0.882 26.882 27.740 0.040 0.000 1.963 477 C HN 0.482 nan 8.230 nan 0.000 0.507 478 K N 1.156 121.571 120.400 0.025 0.000 2.057 478 K HA -0.156 4.163 4.320 -0.001 0.000 0.206 478 K C 1.858 178.470 176.600 0.019 0.000 1.050 478 K CA 1.631 57.933 56.287 0.024 0.000 0.935 478 K CB -0.297 32.215 32.500 0.021 0.000 0.715 478 K HN 0.751 nan 8.250 nan 0.000 0.439 479 E N 0.581 120.791 120.200 0.016 0.000 2.494 479 E HA -0.022 4.328 4.350 -0.001 0.000 0.193 479 E C 0.959 177.567 176.600 0.013 0.000 1.074 479 E CA 0.322 56.730 56.400 0.013 0.000 0.867 479 E CB 0.326 30.031 29.700 0.009 0.000 0.924 479 E HN 0.001 nan 8.360 nan 0.000 0.502 480 V N 0.558 120.481 119.914 0.016 0.000 3.635 480 V HA 0.110 4.230 4.120 -0.001 0.000 0.266 480 V C 0.989 177.095 176.094 0.021 0.000 1.316 480 V CA -0.287 62.023 62.300 0.017 0.000 1.060 480 V CB -0.059 31.774 31.823 0.017 0.000 0.820 480 V HN 0.253 nan 8.190 nan 0.000 0.447 481 L N 2.432 123.670 121.223 0.024 0.000 2.700 481 L HA 0.245 4.585 4.340 -0.001 0.000 0.276 481 L C 1.573 178.457 176.870 0.024 0.000 1.200 481 L CA 1.551 56.407 54.840 0.028 0.000 0.951 481 L CB -0.403 41.673 42.059 0.027 0.000 1.226 481 L HN 0.494 nan 8.230 nan 0.000 0.489 482 G N 2.552 111.368 108.800 0.027 0.000 2.454 482 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.225 482 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.225 482 G C 0.404 175.317 174.900 0.022 0.000 1.138 482 G CA -0.214 44.901 45.100 0.024 0.000 0.667 482 G HN 0.542 nan 8.290 nan 0.000 0.512 483 K N 2.518 122.930 120.400 0.019 0.000 2.419 483 K HA 0.350 4.669 4.320 -0.001 0.000 0.282 483 K C -2.205 174.405 176.600 0.017 0.000 1.056 483 K CA -1.077 55.219 56.287 0.015 0.000 1.035 483 K CB 0.438 32.944 32.500 0.011 0.000 0.921 483 K HN 0.174 nan 8.250 nan 0.000 0.472 484 P HA -0.102 nan 4.420 nan 0.000 0.263 484 P C -2.415 174.893 177.300 0.015 0.000 1.162 484 P CA -0.444 62.665 63.100 0.016 0.000 0.758 484 P CB -0.185 31.520 31.700 0.008 0.000 0.773 485 P HA 0.236 nan 4.420 nan 0.000 0.277 485 P C -0.781 176.535 177.300 0.026 0.000 1.240 485 P CA -0.014 63.103 63.100 0.029 0.000 0.798 485 P CB 0.709 32.437 31.700 0.045 0.000 0.979 486 V N 2.512 122.442 119.914 0.026 0.000 2.709 486 V HA 0.236 4.356 4.120 -0.001 0.000 0.308 486 V C -1.102 175.037 176.094 0.076 0.000 1.062 486 V CA -0.798 61.515 62.300 0.021 0.000 0.901 486 V CB 1.797 33.603 31.823 -0.028 0.000 1.003 486 V HN 0.420 nan 8.190 nan 0.000 0.425 487 Y N 5.591 125.889 120.300 -0.002 0.000 2.531 487 Y HA 0.480 5.029 4.550 -0.000 0.000 0.347 487 Y C -0.057 175.829 175.900 -0.024 0.000 1.024 487 Y CA -0.317 57.794 58.100 0.018 0.000 1.306 487 Y CB 0.286 38.818 38.460 0.121 0.000 1.149 487 Y HN 0.569 nan 8.280 nan 0.000 0.527 488 K N 5.853 126.035 120.400 -0.364 0.000 2.545 488 K HA 0.188 4.507 4.320 -0.001 0.000 0.252 488 K C -1.583 174.696 176.600 -0.535 0.000 0.948 488 K CA -0.724 55.242 56.287 -0.535 0.000 0.827 488 K CB 0.864 33.200 32.500 -0.273 0.000 1.128 488 K HN 0.669 nan 8.250 nan 0.000 0.429 489 D N 3.438 123.340 120.400 -0.830 0.000 2.317 489 D HA 0.125 4.765 4.640 -0.001 0.000 0.252 489 D C 0.317 176.193 176.300 -0.706 0.000 1.174 489 D CA -0.093 53.423 54.000 -0.807 0.000 0.866 489 D CB 1.566 41.549 40.800 -1.362 0.000 1.127 489 D HN 0.259 nan 8.370 nan 0.000 0.467 490 V N 2.304 121.978 119.914 -0.401 0.000 3.432 490 V HA 0.012 4.132 4.120 -0.001 0.000 0.298 490 V C 0.996 177.045 176.094 -0.075 0.000 1.464 490 V CA -0.137 62.049 62.300 -0.191 0.000 1.046 490 V CB -0.087 31.660 31.823 -0.127 0.000 0.887 490 V HN 0.545 nan 8.190 nan 0.000 0.441 491 S N 0.712 116.361 115.700 -0.086 0.000 2.596 491 S HA 0.419 4.888 4.470 -0.001 0.000 0.260 491 S C -0.041 174.661 174.600 0.169 0.000 1.336 491 S CA -0.233 57.998 58.200 0.052 0.000 0.993 491 S CB 0.738 63.979 63.200 0.068 0.000 0.923 491 S HN 0.248 nan 8.310 nan 0.000 0.567 492 I N 2.173 122.798 120.570 0.092 0.000 2.322 492 I HA 0.253 4.423 4.170 -0.001 0.000 0.292 492 I C -2.261 173.866 176.117 0.018 0.000 1.060 492 I CA -2.222 59.105 61.300 0.045 0.000 1.309 492 I CB 0.404 38.401 38.000 -0.006 0.000 1.415 492 I HN 0.398 nan 8.210 nan 0.000 0.492 493 P HA -0.029 nan 4.420 nan 0.000 0.261 493 P C -0.263 176.955 177.300 -0.137 0.000 1.183 493 P CA 0.307 63.273 63.100 -0.223 0.000 0.761 493 P CB 0.500 31.981 31.700 -0.365 0.000 0.785 494 T N 1.581 116.064 114.554 -0.119 0.000 2.907 494 T HA 0.757 5.107 4.350 -0.001 0.000 0.292 494 T C -0.158 174.488 174.700 -0.090 0.000 1.043 494 T CA -0.602 61.446 62.100 -0.087 0.000 1.003 494 T CB 1.224 70.058 68.868 -0.056 0.000 1.084 494 T HN 0.333 nan 8.240 nan 0.000 0.483 495 G N 2.126 110.875 108.800 -0.085 0.000 3.042 495 G HA2 0.784 4.744 3.960 -0.001 0.000 0.278 495 G HA3 0.784 4.744 3.960 -0.001 0.000 0.278 495 G C -3.174 171.691 174.900 -0.059 0.000 1.371 495 G CA -1.681 43.372 45.100 -0.079 0.000 1.009 495 G HN 0.633 nan 8.290 nan 0.000 0.523 496 P HA 0.316 nan 4.420 nan 0.000 0.292 496 P C -1.135 176.178 177.300 0.021 0.000 1.287 496 P CA -0.323 62.837 63.100 0.101 0.000 0.800 496 P CB 1.631 33.439 31.700 0.180 0.000 0.945 497 Q N 1.976 121.729 119.800 -0.077 0.000 2.533 497 Q HA 0.277 4.617 4.340 -0.001 0.000 0.251 497 Q C -0.950 175.066 176.000 0.026 0.000 0.966 497 Q CA -0.360 55.418 55.803 -0.042 0.000 0.714 497 Q CB 1.123 29.801 28.738 -0.099 0.000 1.284 497 Q HN 0.519 nan 8.270 nan 0.000 0.478 498 T N 0.230 114.879 114.554 0.159 0.000 2.771 498 T HA 0.529 4.879 4.350 -0.001 0.000 0.291 498 T C 0.135 174.890 174.700 0.092 0.000 0.954 498 T CA -0.364 61.850 62.100 0.189 0.000 1.045 498 T CB 1.371 70.364 68.868 0.209 0.000 0.917 498 T HN 0.470 nan 8.240 nan 0.000 0.484 499 T N 1.859 116.460 114.554 0.077 0.000 2.861 499 T HA 0.643 4.993 4.350 -0.001 0.000 0.287 499 T C -0.541 174.188 174.700 0.048 0.000 1.003 499 T CA -0.992 61.136 62.100 0.046 0.000 0.977 499 T CB 0.916 69.799 68.868 0.025 0.000 0.996 499 T HN 0.696 nan 8.240 nan 0.000 0.448 500 I N 3.084 123.678 120.570 0.038 0.000 2.339 500 I HA 0.289 4.458 4.170 -0.001 0.000 0.290 500 I C 0.270 176.404 176.117 0.028 0.000 0.994 500 I CA -0.757 60.565 61.300 0.035 0.000 1.191 500 I CB 1.541 39.562 38.000 0.034 0.000 1.343 500 I HN 0.777 nan 8.210 nan 0.000 0.458 501 D N 4.152 124.568 120.400 0.027 0.000 2.364 501 D HA 0.049 4.688 4.640 -0.001 0.000 0.236 501 D C 1.060 177.373 176.300 0.021 0.000 1.221 501 D CA 0.428 54.442 54.000 0.023 0.000 0.891 501 D CB 1.220 42.034 40.800 0.023 0.000 1.190 501 D HN 0.628 nan 8.370 nan 0.000 0.449 502 A N 2.660 125.491 122.820 0.018 0.000 2.015 502 A HA -0.094 4.226 4.320 -0.001 0.000 0.219 502 A C 1.759 179.354 177.584 0.018 0.000 1.163 502 A CA 1.065 53.112 52.037 0.017 0.000 0.646 502 A CB -0.100 18.909 19.000 0.016 0.000 0.806 502 A HN 0.542 nan 8.150 nan 0.000 0.448 503 R N -1.310 119.202 120.500 0.019 0.000 2.568 503 R HA 0.265 4.605 4.340 -0.001 0.000 0.288 503 R C 1.143 177.456 176.300 0.021 0.000 1.077 503 R CA 0.475 56.587 56.100 0.020 0.000 1.102 503 R CB -0.081 30.231 30.300 0.020 0.000 1.278 503 R HN 0.630 nan 8.270 nan 0.000 0.560 504 G N 0.608 109.421 108.800 0.022 0.000 2.253 504 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.251 504 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.251 504 G C 0.075 174.990 174.900 0.026 0.000 0.998 504 G CA -0.344 44.770 45.100 0.023 0.000 0.621 504 G HN 0.366 nan 8.290 nan 0.000 0.524 505 N N 0.968 119.684 118.700 0.026 0.000 2.454 505 N HA 0.255 4.995 4.740 -0.001 0.000 0.260 505 N C 0.452 175.983 175.510 0.035 0.000 1.218 505 N CA 0.574 53.641 53.050 0.029 0.000 0.904 505 N CB 0.597 39.101 38.487 0.028 0.000 1.065 505 N HN 0.420 nan 8.380 nan 0.000 0.462 506 I N 2.224 122.818 120.570 0.040 0.000 2.353 506 I HA 0.187 4.356 4.170 -0.001 0.000 0.293 506 I C 0.501 176.656 176.117 0.063 0.000 0.992 506 I CA -0.271 61.059 61.300 0.051 0.000 1.268 506 I CB 0.979 39.009 38.000 0.051 0.000 1.387 506 I HN 0.234 nan 8.210 nan 0.000 0.478 507 Q N 4.865 124.711 119.800 0.076 0.000 2.456 507 Q HA 0.441 4.781 4.340 -0.001 0.000 0.283 507 Q C -1.771 174.321 176.000 0.154 0.000 1.084 507 Q CA -0.940 54.920 55.803 0.095 0.000 0.801 507 Q CB 3.645 32.417 28.738 0.057 0.000 1.434 507 Q HN 0.580 nan 8.270 nan 0.000 0.419 508 Y N 0.965 121.276 120.300 0.019 0.000 2.331 508 Y HA 0.363 4.913 4.550 -0.000 0.000 0.326 508 Y C -1.184 174.725 175.900 0.015 0.000 1.020 508 Y CA -0.239 57.873 58.100 0.019 0.000 1.136 508 Y CB 1.431 39.908 38.460 0.029 0.000 1.157 508 Y HN 0.566 nan 8.280 nan 0.000 0.444 509 Q N 3.263 122.750 119.800 -0.522 0.000 2.286 509 Q HA 0.446 4.785 4.340 -0.001 0.000 0.250 509 Q C -1.085 174.467 176.000 -0.748 0.000 1.021 509 Q CA -1.256 54.253 55.803 -0.490 0.000 0.930 509 Q CB 1.905 30.504 28.738 -0.233 0.000 1.266 509 Q HN 0.634 nan 8.270 nan 0.000 0.491 510 E N 1.161 121.116 120.200 -0.410 0.000 2.145 510 E HA 0.307 4.656 4.350 -0.001 0.000 0.262 510 E C -1.241 175.258 176.600 -0.169 0.000 0.883 510 E CA -0.305 55.923 56.400 -0.286 0.000 0.748 510 E CB 1.729 31.330 29.700 -0.166 0.000 1.140 510 E HN 0.236 nan 8.360 nan 0.000 0.417 511 V N 3.931 123.756 119.914 -0.148 0.000 2.617 511 V HA 0.280 4.399 4.120 -0.001 0.000 0.298 511 V C -2.161 173.883 176.094 -0.084 0.000 1.048 511 V CA -2.236 60.003 62.300 -0.102 0.000 0.964 511 V CB 1.094 32.863 31.823 -0.090 0.000 1.004 511 V HN 0.529 nan 8.190 nan 0.000 0.466 512 P HA 0.133 nan 4.420 nan 0.000 0.266 512 P C -0.262 176.995 177.300 -0.072 0.000 1.195 512 P CA -0.099 62.960 63.100 -0.068 0.000 0.768 512 P CB 0.339 32.003 31.700 -0.060 0.000 0.838 513 R N 2.458 122.910 120.500 -0.080 0.000 2.522 513 R HA 0.120 4.460 4.340 -0.001 0.000 0.284 513 R C 1.308 177.568 176.300 -0.068 0.000 1.032 513 R CA 0.053 56.108 56.100 -0.075 0.000 1.049 513 R CB 0.281 30.532 30.300 -0.082 0.000 0.956 513 R HN 0.514 nan 8.270 nan 0.000 0.422 514 A N 2.053 124.840 122.820 -0.055 0.000 2.172 514 A HA -0.105 4.215 4.320 -0.001 0.000 0.216 514 A C 1.375 178.930 177.584 -0.047 0.000 1.154 514 A CA 1.419 53.427 52.037 -0.048 0.000 0.701 514 A CB 0.062 19.041 19.000 -0.036 0.000 0.789 514 A HN 0.728 nan 8.150 nan 0.000 0.465 515 S N -2.244 113.430 115.700 -0.043 0.000 2.701 515 S HA 0.659 5.129 4.470 -0.001 0.000 0.242 515 S C 0.267 174.847 174.600 -0.034 0.000 1.025 515 S CA 0.251 58.436 58.200 -0.025 0.000 1.016 515 S CB 0.219 63.423 63.200 0.007 0.000 0.977 515 S HN 0.968 nan 8.310 nan 0.000 0.546 516 A N 1.141 123.908 122.820 -0.088 0.000 2.398 516 A HA 0.824 5.144 4.320 -0.001 0.000 0.301 516 A C 0.487 177.935 177.584 -0.227 0.000 1.041 516 A CA -0.708 51.249 52.037 -0.133 0.000 0.711 516 A CB 1.439 20.434 19.000 -0.009 0.000 1.240 516 A HN 0.066 nan 8.150 nan 0.000 0.420 517 R N 0.853 121.104 120.500 -0.414 0.000 2.144 517 R HA 0.264 4.604 4.340 -0.001 0.000 0.195 517 R C 0.335 176.584 176.300 -0.085 0.000 1.077 517 R CA 0.780 56.725 56.100 -0.258 0.000 1.120 517 R CB -0.089 30.020 30.300 -0.318 0.000 1.060 517 R HN 0.718 nan 8.270 nan 0.000 0.520 518 K N -0.219 120.189 120.400 0.013 0.000 2.416 518 K HA 0.277 4.597 4.320 -0.001 0.000 0.244 518 K C 0.955 177.698 176.600 0.239 0.000 1.044 518 K CA -0.484 55.914 56.287 0.185 0.000 0.972 518 K CB 0.603 33.236 32.500 0.223 0.000 1.286 518 K HN -0.109 nan 8.250 nan 0.000 0.500 519 F N 1.436 121.409 119.950 0.038 0.000 2.615 519 F HA -0.044 4.483 4.527 -0.001 0.000 0.297 519 F C 1.923 177.826 175.800 0.171 0.000 1.124 519 F CA 0.750 58.786 58.000 0.060 0.000 1.451 519 F CB 0.342 39.201 39.000 -0.235 0.000 1.103 519 F HN 0.601 nan 8.300 nan 0.000 0.569 520 E N -0.674 119.677 120.200 0.252 0.000 2.077 520 E HA -0.245 4.104 4.350 -0.001 0.000 0.193 520 E C 1.588 178.238 176.600 0.082 0.000 0.989 520 E CA 1.636 58.120 56.400 0.140 0.000 0.800 520 E CB -0.472 29.263 29.700 0.058 0.000 0.746 520 E HN 0.530 nan 8.360 nan 0.000 0.452 521 H N -0.544 118.570 119.070 0.072 0.000 2.387 521 H HA -0.170 4.385 4.556 -0.001 0.000 0.299 521 H C 1.811 177.169 175.328 0.049 0.000 1.099 521 H CA 1.861 57.935 56.048 0.043 0.000 1.315 521 H CB -0.261 29.516 29.762 0.026 0.000 1.380 521 H HN 0.245 nan 8.280 nan 0.000 0.513 522 Y N 0.862 121.182 120.300 0.033 0.000 2.070 522 Y HA -0.254 4.295 4.550 -0.001 0.000 0.279 522 Y C 2.386 178.320 175.900 0.058 0.000 1.134 522 Y CA 1.386 59.452 58.100 -0.056 0.000 1.113 522 Y CB -0.853 37.415 38.460 -0.321 0.000 0.981 522 Y HN -0.020 nan 8.280 nan 0.000 0.487 523 V N 1.398 121.265 119.914 -0.078 0.000 2.231 523 V HA -0.424 3.696 4.120 -0.001 0.000 0.250 523 V C 2.391 178.405 176.094 -0.134 0.000 1.058 523 V CA 2.640 64.857 62.300 -0.140 0.000 1.022 523 V CB -0.791 31.081 31.823 0.081 0.000 0.640 523 V HN 0.412 nan 8.190 nan 0.000 0.445 524 K N -0.552 119.814 120.400 -0.056 0.000 1.987 524 K HA -0.276 4.044 4.320 -0.001 0.000 0.216 524 K C 2.280 178.864 176.600 -0.028 0.000 1.051 524 K CA 2.053 58.315 56.287 -0.042 0.000 0.942 524 K CB -0.406 32.064 32.500 -0.049 0.000 0.722 524 K HN 0.500 nan 8.250 nan 0.000 0.444 525 Q N -0.163 119.628 119.800 -0.014 0.000 2.173 525 Q HA -0.216 4.124 4.340 -0.001 0.000 0.208 525 Q C 2.183 178.220 176.000 0.062 0.000 0.989 525 Q CA 1.467 57.287 55.803 0.028 0.000 0.872 525 Q CB -0.113 28.652 28.738 0.045 0.000 0.909 525 Q HN 0.338 nan 8.270 nan 0.000 0.420 526 M N -0.534 119.043 119.600 -0.040 0.000 2.132 526 M HA -0.114 4.366 4.480 -0.001 0.000 0.263 526 M C 2.315 178.698 176.300 0.139 0.000 1.065 526 M CA 1.463 56.808 55.300 0.074 0.000 1.122 526 M CB -1.304 31.198 32.600 -0.163 0.000 1.365 526 M HN 0.212 nan 8.290 nan 0.000 0.411 527 A N 0.294 123.134 122.820 0.032 0.000 1.908 527 A HA -0.190 4.129 4.320 -0.001 0.000 0.218 527 A C 2.034 179.631 177.584 0.021 0.000 1.181 527 A CA 1.838 53.892 52.037 0.029 0.000 0.627 527 A CB -0.823 18.180 19.000 0.005 0.000 0.818 527 A HN 0.607 nan 8.150 nan 0.000 0.445 528 E N -0.756 119.456 120.200 0.020 0.000 2.265 528 E HA 0.194 4.544 4.350 -0.001 0.000 0.196 528 E C 1.373 177.932 176.600 -0.068 0.000 0.996 528 E CA 0.155 56.553 56.400 -0.003 0.000 0.832 528 E CB -0.373 29.337 29.700 0.015 0.000 0.756 528 E HN 0.756 nan 8.360 nan 0.000 0.491 529 G N 0.359 109.064 108.800 -0.159 0.000 2.575 529 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.267 529 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.267 529 G C 0.184 174.877 174.900 -0.345 0.000 1.264 529 G CA -0.472 44.284 45.100 -0.573 0.000 0.935 529 G HN 0.619 nan 8.290 nan 0.000 0.568 530 G N -2.741 105.841 108.800 -0.363 0.000 2.649 530 G HA2 0.714 4.674 3.960 -0.001 0.000 0.290 530 G HA3 0.714 4.674 3.960 -0.001 0.000 0.290 530 G C -2.030 172.800 174.900 -0.117 0.000 1.426 530 G CA 0.342 45.379 45.100 -0.105 0.000 0.794 530 G HN 0.556 nan 8.290 nan 0.000 0.483 531 P HA -0.077 nan 4.420 nan 0.000 0.218 531 P C 1.829 179.061 177.300 -0.114 0.000 1.146 531 P CA 0.830 63.893 63.100 -0.062 0.000 0.820 531 P CB 0.219 31.908 31.700 -0.018 0.000 0.778 532 I N -0.985 119.505 120.570 -0.133 0.000 2.353 532 I HA -0.115 4.054 4.170 -0.001 0.000 0.248 532 I C 1.097 176.804 176.117 -0.683 0.000 1.119 532 I CA 1.425 62.582 61.300 -0.239 0.000 1.417 532 I CB -0.758 37.206 38.000 -0.060 0.000 1.078 532 I HN 0.038 nan 8.210 nan 0.000 0.421 533 S N 1.382 116.636 115.700 -0.744 0.000 3.149 533 S HA 0.234 4.703 4.470 -0.001 0.000 0.228 533 S C 0.188 174.598 174.600 -0.316 0.000 1.393 533 S CA -0.565 57.075 58.200 -0.932 0.000 1.224 533 S CB -0.421 62.447 63.200 -0.552 0.000 1.112 533 S HN 0.301 nan 8.310 nan 0.000 0.502 534 Q N 1.813 121.475 119.800 -0.229 0.000 2.256 534 Q HA 0.519 4.859 4.340 -0.001 0.000 0.254 534 Q C -0.828 175.241 176.000 0.115 0.000 0.916 534 Q CA -0.694 55.087 55.803 -0.037 0.000 0.932 534 Q CB 1.066 29.763 28.738 -0.068 0.000 1.207 534 Q HN 0.834 nan 8.270 nan 0.000 0.426 535 Y N -1.725 118.522 120.300 -0.087 0.000 2.588 535 Y HA 0.682 5.232 4.550 -0.001 0.000 0.343 535 Y C -1.044 174.823 175.900 -0.056 0.000 1.065 535 Y CA -1.296 56.769 58.100 -0.059 0.000 1.038 535 Y CB 1.235 39.668 38.460 -0.045 0.000 1.297 535 Y HN 0.368 nan 8.280 nan 0.000 0.467 536 S N 1.691 117.332 115.700 -0.099 0.000 2.565 536 S HA 0.293 4.762 4.470 -0.001 0.000 0.290 536 S C -0.617 173.866 174.600 -0.195 0.000 1.150 536 S CA -0.899 57.196 58.200 -0.175 0.000 1.058 536 S CB 0.973 64.130 63.200 -0.071 0.000 1.032 536 S HN 0.672 nan 8.310 nan 0.000 0.510 537 N N 1.356 119.926 118.700 -0.216 0.000 2.381 537 N HA 0.047 4.786 4.740 -0.001 0.000 0.241 537 N C 1.475 176.941 175.510 -0.073 0.000 1.279 537 N CA -0.179 52.783 53.050 -0.148 0.000 0.896 537 N CB 0.274 38.681 38.487 -0.135 0.000 1.118 537 N HN 0.661 nan 8.380 nan 0.000 0.438 538 R N 0.233 120.703 120.500 -0.049 0.000 2.119 538 R HA -0.247 4.093 4.340 -0.001 0.000 0.246 538 R C 1.516 177.793 176.300 -0.037 0.000 1.146 538 R CA 2.326 58.405 56.100 -0.036 0.000 0.962 538 R CB -0.761 29.519 30.300 -0.032 0.000 0.863 538 R HN 0.863 nan 8.270 nan 0.000 0.442 539 T N -0.952 113.576 114.554 -0.044 0.000 2.652 539 T HA -0.188 4.162 4.350 -0.001 0.000 0.267 539 T C 1.930 176.610 174.700 -0.034 0.000 1.039 539 T CA 1.503 63.580 62.100 -0.039 0.000 1.153 539 T CB -0.341 68.500 68.868 -0.044 0.000 0.863 539 T HN 0.295 nan 8.240 nan 0.000 0.428 540 K N 0.440 120.814 120.400 -0.044 0.000 2.032 540 K HA -0.059 4.261 4.320 -0.001 0.000 0.209 540 K C 2.433 179.022 176.600 -0.019 0.000 1.048 540 K CA 1.542 57.809 56.287 -0.035 0.000 0.927 540 K CB -0.691 31.778 32.500 -0.052 0.000 0.712 540 K HN 0.279 nan 8.250 nan 0.000 0.441 541 V N 2.360 122.260 119.914 -0.024 0.000 2.370 541 V HA -0.335 3.784 4.120 -0.001 0.000 0.252 541 V C 2.522 178.611 176.094 -0.007 0.000 1.068 541 V CA 2.326 64.616 62.300 -0.016 0.000 1.061 541 V CB -0.680 31.129 31.823 -0.023 0.000 0.656 541 V HN 0.528 nan 8.190 nan 0.000 0.455 542 Q N -0.288 119.508 119.800 -0.008 0.000 2.089 542 Q HA -0.152 4.188 4.340 -0.001 0.000 0.195 542 Q C 1.911 177.926 176.000 0.025 0.000 0.963 542 Q CA 1.658 57.464 55.803 0.005 0.000 0.834 542 Q CB -0.569 28.164 28.738 -0.008 0.000 0.906 542 Q HN 0.513 nan 8.270 nan 0.000 0.452 543 N N 1.293 120.000 118.700 0.012 0.000 2.272 543 N HA -0.141 4.598 4.740 -0.001 0.000 0.185 543 N C 0.945 176.477 175.510 0.037 0.000 1.014 543 N CA 1.557 54.618 53.050 0.018 0.000 0.870 543 N CB -0.123 38.366 38.487 0.003 0.000 0.975 543 N HN 0.347 nan 8.380 nan 0.000 0.433 544 D N -0.221 120.203 120.400 0.039 0.000 2.137 544 D HA 0.036 4.676 4.640 -0.001 0.000 0.202 544 D C 1.920 178.288 176.300 0.113 0.000 0.970 544 D CA 0.373 54.408 54.000 0.059 0.000 0.837 544 D CB -0.186 40.637 40.800 0.038 0.000 0.981 544 D HN 0.218 nan 8.370 nan 0.000 0.475 545 L N 0.453 121.749 121.223 0.122 0.000 2.191 545 L HA -0.126 4.214 4.340 -0.001 0.000 0.212 545 L C 2.510 179.572 176.870 0.320 0.000 1.103 545 L CA 0.844 55.832 54.840 0.247 0.000 0.769 545 L CB -0.089 42.062 42.059 0.155 0.000 0.908 545 L HN -0.025 nan 8.230 nan 0.000 0.438 546 R N -0.073 120.525 120.500 0.164 0.000 2.078 546 R HA -0.141 4.199 4.340 -0.001 0.000 0.224 546 R C 2.610 178.994 176.300 0.140 0.000 1.149 546 R CA 1.827 57.994 56.100 0.112 0.000 0.916 546 R CB -0.542 29.791 30.300 0.055 0.000 0.821 546 R HN 0.397 nan 8.270 nan 0.000 0.434 547 S N 0.321 116.085 115.700 0.107 0.000 2.420 547 S HA -0.129 4.341 4.470 -0.001 0.000 0.237 547 S C 2.111 176.777 174.600 0.110 0.000 1.023 547 S CA 1.454 59.708 58.200 0.090 0.000 0.991 547 S CB -0.612 62.624 63.200 0.061 0.000 0.792 547 S HN 0.094 nan 8.310 nan 0.000 0.488 548 V N 0.646 120.660 119.914 0.167 0.000 2.307 548 V HA -0.134 3.986 4.120 -0.001 0.000 0.245 548 V C 2.190 178.405 176.094 0.203 0.000 1.045 548 V CA 2.029 64.450 62.300 0.202 0.000 1.024 548 V CB -0.936 31.076 31.823 0.315 0.000 0.651 548 V HN 0.630 nan 8.190 nan 0.000 0.449 549 Y N 1.046 121.385 120.300 0.066 0.000 2.114 549 Y HA -0.249 4.300 4.550 -0.001 0.000 0.284 549 Y C 2.597 178.464 175.900 -0.055 0.000 1.143 549 Y CA 1.999 60.052 58.100 -0.079 0.000 1.135 549 Y CB -0.131 38.060 38.460 -0.448 0.000 0.980 549 Y HN 0.111 nan 8.280 nan 0.000 0.499 550 K N 0.123 120.663 120.400 0.233 0.000 2.160 550 K HA -0.222 4.098 4.320 -0.001 0.000 0.206 550 K C 2.043 178.639 176.600 -0.007 0.000 1.047 550 K CA 1.796 58.156 56.287 0.121 0.000 0.930 550 K CB -0.263 32.298 32.500 0.103 0.000 0.720 550 K HN 0.453 nan 8.250 nan 0.000 0.450 551 L N 0.214 121.425 121.223 -0.020 0.000 2.145 551 L HA 0.034 4.373 4.340 -0.001 0.000 0.201 551 L C 2.127 178.916 176.870 -0.136 0.000 1.075 551 L CA 0.689 55.496 54.840 -0.055 0.000 0.773 551 L CB -0.015 42.033 42.059 -0.018 0.000 0.936 551 L HN 0.116 nan 8.230 nan 0.000 0.451 552 I N 0.022 120.474 120.570 -0.195 0.000 2.394 552 I HA -0.280 3.890 4.170 -0.001 0.000 0.251 552 I C 2.632 178.474 176.117 -0.459 0.000 1.136 552 I CA 1.076 62.167 61.300 -0.348 0.000 1.425 552 I CB 0.006 37.695 38.000 -0.520 0.000 1.079 552 I HN 0.361 nan 8.210 nan 0.000 0.425 553 R N 1.447 121.660 120.500 -0.479 0.000 2.057 553 R HA -0.012 4.327 4.340 -0.001 0.000 0.224 553 R C 1.638 177.645 176.300 -0.487 0.000 1.136 553 R CA 1.212 56.974 56.100 -0.564 0.000 0.968 553 R CB -0.457 29.455 30.300 -0.647 0.000 0.863 553 R HN 0.094 nan 8.270 nan 0.000 0.433 554 R N 0.889 121.240 120.500 -0.248 0.000 3.441 554 R HA 0.002 4.342 4.340 -0.001 0.000 0.225 554 R C 0.875 177.137 176.300 -0.063 0.000 1.756 554 R CA 0.373 56.416 56.100 -0.095 0.000 1.504 554 R CB -0.082 30.206 30.300 -0.021 0.000 1.183 554 R HN 0.465 nan 8.270 nan 0.000 0.567 555 Q N -0.989 118.728 119.800 -0.138 0.000 2.313 555 Q HA 0.009 4.348 4.340 -0.001 0.000 0.263 555 Q C -0.493 175.497 176.000 -0.016 0.000 0.820 555 Q CA -0.187 55.571 55.803 -0.076 0.000 0.974 555 Q CB 0.855 29.521 28.738 -0.120 0.000 1.156 555 Q HN 0.404 nan 8.270 nan 0.000 0.517 556 H N 1.020 120.029 119.070 -0.103 0.000 2.387 556 H HA -0.148 4.408 4.556 -0.001 0.000 0.315 556 H C -0.050 175.232 175.328 -0.078 0.000 0.955 556 H CA 0.918 56.912 56.048 -0.089 0.000 1.046 556 H CB -0.171 29.553 29.762 -0.063 0.000 1.615 556 H HN 0.305 nan 8.280 nan 0.000 0.346 557 R N 0.657 121.141 120.500 -0.028 0.000 2.509 557 R HA 0.244 4.583 4.340 -0.001 0.000 0.297 557 R C 0.599 176.873 176.300 -0.043 0.000 0.951 557 R CA -0.029 56.054 56.100 -0.028 0.000 1.103 557 R CB 0.899 31.170 30.300 -0.049 0.000 1.283 557 R HN 0.201 nan 8.270 nan 0.000 0.534 558 L N 1.912 123.095 121.223 -0.067 0.000 2.307 558 L HA 0.337 4.676 4.340 -0.001 0.000 0.282 558 L C 0.742 177.595 176.870 -0.028 0.000 1.051 558 L CA -0.740 54.057 54.840 -0.071 0.000 0.804 558 L CB 1.516 43.491 42.059 -0.139 0.000 1.197 558 L HN -0.025 nan 8.230 nan 0.000 0.431 559 S N 1.142 116.832 115.700 -0.017 0.000 2.558 559 S HA 0.016 4.486 4.470 -0.001 0.000 0.287 559 S C 0.816 175.421 174.600 0.009 0.000 1.321 559 S CA -0.421 57.779 58.200 0.001 0.000 1.048 559 S CB 0.560 63.761 63.200 0.002 0.000 0.844 559 S HN 0.661 nan 8.310 nan 0.000 0.512 560 K N 1.230 121.643 120.400 0.021 0.000 2.360 560 K HA -0.106 4.214 4.320 -0.001 0.000 0.201 560 K C 2.326 178.946 176.600 0.033 0.000 1.046 560 K CA 1.067 57.373 56.287 0.032 0.000 0.940 560 K CB -0.314 32.206 32.500 0.034 0.000 0.748 560 K HN 0.638 nan 8.250 nan 0.000 0.465 561 S N 0.982 116.699 115.700 0.027 0.000 2.338 561 S HA -0.146 4.324 4.470 -0.001 0.000 0.218 561 S C 2.059 176.685 174.600 0.044 0.000 1.032 561 S CA 1.897 60.116 58.200 0.033 0.000 0.999 561 S CB -0.160 63.055 63.200 0.025 0.000 0.905 561 S HN 0.419 nan 8.310 nan 0.000 0.439 562 S N 1.266 116.985 115.700 0.032 0.000 2.368 562 S HA -0.103 4.367 4.470 -0.001 0.000 0.225 562 S C 1.967 176.610 174.600 0.071 0.000 1.030 562 S CA 0.993 59.219 58.200 0.042 0.000 0.999 562 S CB -0.774 62.427 63.200 0.001 0.000 0.844 562 S HN 0.639 nan 8.310 nan 0.000 0.459 563 Q N 0.236 120.052 119.800 0.027 0.000 2.291 563 Q HA 0.077 4.417 4.340 -0.001 0.000 0.205 563 Q C 2.120 178.195 176.000 0.126 0.000 0.970 563 Q CA 0.629 56.456 55.803 0.040 0.000 0.876 563 Q CB -0.248 28.470 28.738 -0.034 0.000 0.935 563 Q HN 0.436 nan 8.270 nan 0.000 0.455 564 L N 1.162 122.444 121.223 0.100 0.000 2.023 564 L HA -0.178 4.161 4.340 -0.001 0.000 0.205 564 L C 2.269 179.206 176.870 0.111 0.000 1.073 564 L CA 1.952 56.849 54.840 0.095 0.000 0.745 564 L CB -0.616 41.482 42.059 0.066 0.000 0.900 564 L HN 0.365 nan 8.230 nan 0.000 0.435 565 Q N -1.904 117.965 119.800 0.115 0.000 2.331 565 Q HA -0.189 4.150 4.340 -0.001 0.000 0.203 565 Q C 2.186 178.274 176.000 0.147 0.000 0.944 565 Q CA 0.805 56.671 55.803 0.105 0.000 0.892 565 Q CB -0.787 28.001 28.738 0.084 0.000 0.983 565 Q HN 0.400 nan 8.270 nan 0.000 0.482 566 F N 3.263 123.248 119.950 0.057 0.000 2.126 566 F HA -0.198 4.328 4.527 -0.001 0.000 0.299 566 F C 1.568 177.473 175.800 0.174 0.000 1.096 566 F CA 1.773 59.830 58.000 0.095 0.000 1.255 566 F CB -0.208 38.805 39.000 0.020 0.000 0.997 566 F HN 0.029 nan 8.300 nan 0.000 0.479 567 N N 0.881 119.638 118.700 0.095 0.000 2.188 567 N HA -0.107 4.632 4.740 -0.001 0.000 0.184 567 N C 2.057 177.595 175.510 0.047 0.000 1.018 567 N CA 1.333 54.426 53.050 0.073 0.000 0.858 567 N CB -0.885 37.697 38.487 0.158 0.000 0.989 567 N HN 0.455 nan 8.380 nan 0.000 0.426 568 A N 1.473 124.323 122.820 0.050 0.000 1.841 568 A HA -0.103 4.217 4.320 -0.001 0.000 0.216 568 A C 2.307 179.895 177.584 0.008 0.000 1.199 568 A CA 1.224 53.280 52.037 0.032 0.000 0.621 568 A CB -0.975 18.048 19.000 0.038 0.000 0.835 568 A HN 0.233 nan 8.150 nan 0.000 0.445 569 L N -2.623 118.599 121.223 -0.003 0.000 2.131 569 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 569 L C 2.550 179.366 176.870 -0.090 0.000 1.092 569 L CA 1.364 56.181 54.840 -0.039 0.000 0.759 569 L CB -0.623 41.421 42.059 -0.025 0.000 0.903 569 L HN 0.476 nan 8.230 nan 0.000 0.435 570 Y N 0.823 120.984 120.300 -0.232 0.000 2.242 570 Y HA -0.213 4.337 4.550 -0.001 0.000 0.291 570 Y C 2.578 178.386 175.900 -0.153 0.000 1.137 570 Y CA 1.482 59.435 58.100 -0.245 0.000 1.181 570 Y CB 0.011 38.258 38.460 -0.354 0.000 0.989 570 Y HN 0.044 nan 8.280 nan 0.000 0.527 571 K N -0.292 120.123 120.400 0.026 0.000 2.097 571 K HA -0.151 4.169 4.320 -0.001 0.000 0.205 571 K C 1.446 178.023 176.600 -0.038 0.000 1.050 571 K CA 1.501 57.784 56.287 -0.006 0.000 0.938 571 K CB -0.149 32.349 32.500 -0.002 0.000 0.718 571 K HN 0.311 nan 8.250 nan 0.000 0.442 572 D N 0.785 121.156 120.400 -0.049 0.000 2.097 572 D HA -0.133 4.507 4.640 -0.001 0.000 0.195 572 D C 2.036 178.289 176.300 -0.077 0.000 0.989 572 D CA 0.882 54.850 54.000 -0.054 0.000 0.827 572 D CB -0.590 40.180 40.800 -0.050 0.000 0.966 572 D HN -0.100 nan 8.370 nan 0.000 0.456 573 V N 1.537 121.380 119.914 -0.119 0.000 2.324 573 V HA -0.242 3.877 4.120 -0.001 0.000 0.250 573 V C 2.434 178.453 176.094 -0.126 0.000 1.060 573 V CA 1.346 63.554 62.300 -0.154 0.000 1.042 573 V CB -0.461 31.198 31.823 -0.274 0.000 0.650 573 V HN 0.243 nan 8.190 nan 0.000 0.450 574 I N -1.139 119.365 120.570 -0.110 0.000 2.761 574 I HA -0.125 4.045 4.170 -0.001 0.000 0.261 574 I C 2.658 178.742 176.117 -0.055 0.000 1.198 574 I CA 0.965 62.221 61.300 -0.074 0.000 1.482 574 I CB -0.456 37.517 38.000 -0.045 0.000 1.100 574 I HN 0.241 nan 8.210 nan 0.000 0.445 575 R N 1.233 121.702 120.500 -0.053 0.000 2.056 575 R HA -0.025 4.315 4.340 -0.001 0.000 0.227 575 R C 2.514 178.788 176.300 -0.043 0.000 1.149 575 R CA 1.465 57.540 56.100 -0.042 0.000 0.937 575 R CB -0.455 29.823 30.300 -0.036 0.000 0.835 575 R HN 0.280 nan 8.270 nan 0.000 0.430 576 A N 1.060 123.851 122.820 -0.049 0.000 2.076 576 A HA -0.103 4.216 4.320 -0.001 0.000 0.220 576 A C 1.979 179.533 177.584 -0.050 0.000 1.160 576 A CA 1.199 53.207 52.037 -0.048 0.000 0.653 576 A CB -0.416 18.551 19.000 -0.055 0.000 0.801 576 A HN 0.212 nan 8.150 nan 0.000 0.455 577 L N -2.408 118.782 121.223 -0.054 0.000 2.567 577 L HA 0.248 4.588 4.340 -0.001 0.000 0.225 577 L C 1.612 178.457 176.870 -0.042 0.000 1.119 577 L CA 0.467 55.277 54.840 -0.051 0.000 0.871 577 L CB -0.196 41.828 42.059 -0.059 0.000 1.036 577 L HN 0.544 nan 8.230 nan 0.000 0.459 578 A N -1.280 121.517 122.820 -0.039 0.000 3.028 578 A HA -0.211 4.109 4.320 -0.001 0.000 0.248 578 A C 0.959 178.523 177.584 -0.032 0.000 1.316 578 A CA 0.313 52.330 52.037 -0.033 0.000 1.003 578 A CB -1.664 17.318 19.000 -0.029 0.000 1.148 578 A HN 0.252 nan 8.150 nan 0.000 0.828 609 V N 2.773 122.603 119.914 -0.140 0.000 2.530 609 V HA 0.238 4.358 4.120 -0.001 0.000 0.282 609 V C 0.165 176.124 176.094 -0.226 0.000 1.048 609 V CA 0.210 62.409 62.300 -0.168 0.000 0.997 609 V CB 1.228 32.988 31.823 -0.106 0.000 0.987 609 V HN 0.665 nan 8.190 nan 0.000 0.477 610 E N 1.678 121.667 120.200 -0.352 0.000 2.369 610 E HA 0.697 5.046 4.350 -0.001 0.000 0.270 610 E C -0.814 175.708 176.600 -0.131 0.000 0.909 610 E CA -0.577 55.596 56.400 -0.378 0.000 0.775 610 E CB 2.660 31.883 29.700 -0.795 0.000 1.270 610 E HN 0.835 nan 8.360 nan 0.000 0.445 611 T N -1.532 113.066 114.554 0.073 0.000 2.864 611 T HA 0.674 5.023 4.350 -0.001 0.000 0.289 611 T C -0.384 174.463 174.700 0.244 0.000 1.082 611 T CA -0.722 61.463 62.100 0.142 0.000 1.009 611 T CB 0.816 69.655 68.868 -0.047 0.000 1.234 611 T HN 0.294 nan 8.240 nan 0.000 0.526 612 I N 1.652 122.269 120.570 0.077 0.000 2.404 612 I HA 0.367 4.537 4.170 -0.001 0.000 0.293 612 I C -1.960 174.099 176.117 -0.096 0.000 0.992 612 I CA -2.909 58.438 61.300 0.078 0.000 1.149 612 I CB 2.873 40.915 38.000 0.070 0.000 1.315 612 I HN 0.503 nan 8.210 nan 0.000 0.446 613 P HA 0.050 nan 4.420 nan 0.000 0.251 613 P C 0.372 177.759 177.300 0.146 0.000 1.251 613 P CA 0.349 63.453 63.100 0.006 0.000 0.763 613 P CB -0.147 31.593 31.700 0.066 0.000 1.067 614 F N -3.500 116.593 119.950 0.239 0.000 2.700 614 F HA -0.251 4.276 4.527 -0.001 0.000 0.511 614 F C 0.400 176.372 175.800 0.286 0.000 0.534 614 F CA 0.772 58.935 58.000 0.271 0.000 0.872 614 F CB -1.809 37.311 39.000 0.199 0.000 1.625 614 F HN -0.008 nan 8.300 nan 0.000 0.264 615 L N 0.999 122.470 121.223 0.413 0.000 2.573 615 L HA 0.391 4.731 4.340 -0.001 0.000 0.260 615 L C -0.182 176.842 176.870 0.256 0.000 0.997 615 L CA -0.552 54.465 54.840 0.296 0.000 0.890 615 L CB 1.408 43.674 42.059 0.344 0.000 1.179 615 L HN 0.162 nan 8.230 nan 0.000 0.439 616 H N 2.401 121.525 119.070 0.091 0.000 2.907 616 H HA 0.744 5.299 4.556 -0.001 0.000 0.361 616 H C -1.332 174.013 175.328 0.029 0.000 1.194 616 H CA -1.062 54.975 56.048 -0.019 0.000 1.152 616 H CB 2.025 31.541 29.762 -0.410 0.000 1.867 616 H HN 0.291 nan 8.280 nan 0.000 0.561 617 L N 1.065 122.372 121.223 0.139 0.000 2.334 617 L HA 0.626 4.966 4.340 -0.001 0.000 0.270 617 L C 0.265 177.268 176.870 0.222 0.000 1.018 617 L CA -0.994 53.920 54.840 0.123 0.000 0.811 617 L CB 1.758 43.885 42.059 0.114 0.000 1.271 617 L HN 0.484 nan 8.230 nan 0.000 0.443 618 R N 0.647 121.289 120.500 0.237 0.000 2.919 618 R HA 0.657 4.996 4.340 -0.001 0.000 0.260 618 R C -1.004 175.513 176.300 0.362 0.000 1.067 618 R CA -0.960 55.296 56.100 0.261 0.000 1.003 618 R CB 2.530 32.887 30.300 0.094 0.000 1.192 618 R HN 0.458 nan 8.270 nan 0.000 0.488 619 K N 0.626 121.161 120.400 0.225 0.000 2.433 619 K HA 0.349 4.669 4.320 -0.001 0.000 0.252 619 K C -1.144 175.276 176.600 -0.299 0.000 1.015 619 K CA -0.776 55.541 56.287 0.051 0.000 0.860 619 K CB 1.968 34.482 32.500 0.024 0.000 1.359 619 K HN 0.277 nan 8.250 nan 0.000 0.452 620 K N 1.865 121.939 120.400 -0.543 0.000 2.248 620 K HA 0.062 4.382 4.320 -0.001 0.000 0.281 620 K C -0.685 175.702 176.600 -0.355 0.000 1.054 620 K CA -0.448 55.401 56.287 -0.731 0.000 0.903 620 K CB 0.930 32.939 32.500 -0.818 0.000 1.077 620 K HN 0.499 nan 8.250 nan 0.000 0.474 621 D N 2.489 122.715 120.400 -0.290 0.000 2.390 621 D HA -0.085 4.554 4.640 -0.001 0.000 0.236 621 D C 0.748 177.021 176.300 -0.046 0.000 1.189 621 D CA 0.573 54.505 54.000 -0.114 0.000 0.887 621 D CB 0.866 41.620 40.800 -0.076 0.000 1.198 621 D HN 0.505 nan 8.370 nan 0.000 0.444 622 E N 0.919 121.171 120.200 0.087 0.000 2.171 622 E HA -0.194 4.156 4.350 -0.001 0.000 0.197 622 E C 0.640 177.238 176.600 -0.003 0.000 0.997 622 E CA 0.863 57.295 56.400 0.053 0.000 0.810 622 E CB -0.232 29.545 29.700 0.128 0.000 0.738 622 E HN 0.501 nan 8.360 nan 0.000 0.467 623 F N 0.859 120.744 119.950 -0.110 0.000 2.894 623 F HA 0.300 4.826 4.527 -0.001 0.000 0.310 623 F C 1.110 176.841 175.800 -0.114 0.000 1.204 623 F CA -0.561 57.386 58.000 -0.089 0.000 1.290 623 F CB 0.389 39.350 39.000 -0.066 0.000 1.317 623 F HN -0.089 nan 8.300 nan 0.000 0.545 624 G N 1.618 110.402 108.800 -0.027 0.000 2.332 624 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.277 624 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.277 624 G C -0.343 174.442 174.900 -0.190 0.000 0.884 624 G CA 0.030 45.047 45.100 -0.140 0.000 1.251 624 G HN 0.457 nan 8.290 nan 0.000 0.462 625 N N -0.842 117.692 118.700 -0.276 0.000 2.269 625 N HA 0.455 5.194 4.740 -0.001 0.000 0.304 625 N C -0.709 174.559 175.510 -0.405 0.000 1.072 625 N CA -0.745 52.166 53.050 -0.233 0.000 0.802 625 N CB 1.159 39.590 38.487 -0.093 0.000 1.348 625 N HN 0.310 nan 8.380 nan 0.000 0.484 626 W N 1.472 122.678 121.300 -0.157 0.000 2.228 626 W HA 0.312 4.971 4.660 -0.001 0.000 0.364 626 W C 0.233 176.607 176.519 -0.241 0.000 0.917 626 W CA -0.522 56.645 57.345 -0.297 0.000 1.513 626 W CB 0.280 29.341 29.460 -0.665 0.000 1.494 626 W HN 0.216 nan 8.180 nan 0.000 0.346 627 E N 1.573 121.772 120.200 -0.002 0.000 2.231 627 E HA 0.086 4.436 4.350 -0.001 0.000 0.277 627 E C -0.421 176.246 176.600 0.111 0.000 0.999 627 E CA -1.365 55.047 56.400 0.020 0.000 0.827 627 E CB 1.142 30.826 29.700 -0.027 0.000 1.101 627 E HN 0.121 nan 8.360 nan 0.000 0.393 628 Y N 1.594 121.859 120.300 -0.059 0.000 2.969 628 Y HA -0.143 4.406 4.550 -0.001 0.000 0.339 628 Y C -0.504 175.389 175.900 -0.012 0.000 1.272 628 Y CA 0.155 58.222 58.100 -0.056 0.000 1.577 628 Y CB 0.223 38.549 38.460 -0.224 0.000 1.234 628 Y HN 0.252 nan 8.280 nan 0.000 0.590 629 S N 7.784 123.857 115.700 0.622 0.000 2.542 629 S HA 0.248 4.717 4.470 -0.001 0.000 0.245 629 S C 0.911 175.758 174.600 0.412 0.000 1.325 629 S CA -0.881 57.518 58.200 0.332 0.000 1.176 629 S CB 0.840 64.164 63.200 0.207 0.000 1.045 629 S HN 0.696 nan 8.310 nan 0.000 0.481 630 K N 2.098 122.667 120.400 0.282 0.000 2.173 630 K HA -0.214 4.106 4.320 -0.001 0.000 0.207 630 K C 2.043 178.776 176.600 0.221 0.000 1.046 630 K CA 1.241 57.724 56.287 0.327 0.000 0.929 630 K CB -0.037 32.499 32.500 0.059 0.000 0.720 630 K HN 0.462 nan 8.250 nan 0.000 0.453 631 K N 1.225 121.713 120.400 0.147 0.000 2.044 631 K HA -0.170 4.149 4.320 -0.001 0.000 0.210 631 K C 2.058 178.740 176.600 0.137 0.000 1.049 631 K CA 1.309 57.664 56.287 0.114 0.000 0.927 631 K CB -0.043 32.506 32.500 0.081 0.000 0.713 631 K HN 0.051 nan 8.250 nan 0.000 0.443 632 L N -0.050 121.272 121.223 0.165 0.000 2.049 632 L HA -0.093 4.247 4.340 -0.001 0.000 0.203 632 L C 2.461 179.458 176.870 0.211 0.000 1.074 632 L CA 1.394 56.335 54.840 0.169 0.000 0.749 632 L CB -0.775 41.383 42.059 0.165 0.000 0.907 632 L HN 0.197 nan 8.230 nan 0.000 0.439 633 T N 0.192 114.895 114.554 0.249 0.000 2.760 633 T HA -0.212 4.138 4.350 -0.001 0.000 0.269 633 T C 1.799 176.629 174.700 0.216 0.000 1.047 633 T CA 1.411 63.670 62.100 0.266 0.000 1.139 633 T CB -0.773 68.244 68.868 0.247 0.000 0.855 633 T HN 0.599 nan 8.240 nan 0.000 0.471 634 G N 1.981 110.891 108.800 0.184 0.000 2.604 634 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.216 634 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.216 634 G C 1.453 176.419 174.900 0.110 0.000 1.265 634 G CA 0.944 46.118 45.100 0.125 0.000 0.804 634 G HN 0.550 nan 8.290 nan 0.000 0.579 635 I N -0.254 120.390 120.570 0.124 0.000 2.181 635 I HA -0.296 3.873 4.170 -0.001 0.000 0.247 635 I C 2.532 178.742 176.117 0.154 0.000 1.081 635 I CA 1.905 63.276 61.300 0.120 0.000 1.340 635 I CB -0.519 37.554 38.000 0.121 0.000 1.036 635 I HN 0.298 nan 8.210 nan 0.000 0.417 636 Y N 1.830 122.167 120.300 0.062 0.000 2.114 636 Y HA -0.130 4.420 4.550 -0.001 0.000 0.284 636 Y C 2.287 178.213 175.900 0.043 0.000 1.119 636 Y CA 1.319 59.450 58.100 0.051 0.000 1.108 636 Y CB -0.726 37.765 38.460 0.051 0.000 0.995 636 Y HN -0.045 nan 8.280 nan 0.000 0.491 637 L N 0.501 121.531 121.223 -0.321 0.000 2.349 637 L HA -0.202 4.138 4.340 -0.001 0.000 0.220 637 L C 1.768 178.524 176.870 -0.189 0.000 1.130 637 L CA 1.227 55.823 54.840 -0.407 0.000 0.791 637 L CB -0.467 41.486 42.059 -0.176 0.000 0.918 637 L HN 0.285 nan 8.230 nan 0.000 0.444 638 D N -0.471 119.883 120.400 -0.077 0.000 2.110 638 D HA -0.096 4.543 4.640 -0.001 0.000 0.202 638 D C 2.120 178.413 176.300 -0.013 0.000 0.975 638 D CA 1.442 55.430 54.000 -0.021 0.000 0.839 638 D CB -0.365 40.446 40.800 0.019 0.000 0.996 638 D HN 0.262 nan 8.370 nan 0.000 0.464 639 G N 0.913 109.714 108.800 0.001 0.000 2.422 639 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.218 639 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.218 639 G C 1.533 176.438 174.900 0.009 0.000 1.146 639 G CA 0.407 45.523 45.100 0.026 0.000 0.769 639 G HN 0.213 nan 8.290 nan 0.000 0.547 640 L N 0.443 121.604 121.223 -0.103 0.000 2.187 640 L HA 0.012 4.351 4.340 -0.001 0.000 0.213 640 L C 2.389 179.303 176.870 0.072 0.000 1.100 640 L CA 1.709 56.453 54.840 -0.160 0.000 0.765 640 L CB -0.285 41.455 42.059 -0.531 0.000 0.904 640 L HN 0.240 nan 8.230 nan 0.000 0.437 641 E N -0.547 119.676 120.200 0.039 0.000 2.024 641 E HA -0.081 4.269 4.350 -0.001 0.000 0.190 641 E C 2.092 178.753 176.600 0.102 0.000 0.974 641 E CA 0.981 57.435 56.400 0.090 0.000 0.810 641 E CB -0.081 29.637 29.700 0.030 0.000 0.775 641 E HN 0.482 nan 8.360 nan 0.000 0.453 642 A N 1.465 124.320 122.820 0.059 0.000 2.032 642 A HA -0.190 4.130 4.320 -0.001 0.000 0.221 642 A C 2.297 179.914 177.584 0.054 0.000 1.165 642 A CA 2.039 54.103 52.037 0.044 0.000 0.645 642 A CB -0.566 18.451 19.000 0.028 0.000 0.807 642 A HN 0.347 nan 8.150 nan 0.000 0.453 643 A N -0.030 122.854 122.820 0.108 0.000 1.845 643 A HA 0.156 4.476 4.320 -0.001 0.000 0.215 643 A C 2.546 180.178 177.584 0.080 0.000 1.195 643 A CA 2.157 54.275 52.037 0.136 0.000 0.616 643 A CB -1.244 17.945 19.000 0.316 0.000 0.832 643 A HN 1.185 nan 8.150 nan 0.000 0.443 644 A N -0.877 122.054 122.820 0.186 0.000 2.024 644 A HA -0.147 4.172 4.320 -0.001 0.000 0.220 644 A C 2.251 179.822 177.584 -0.022 0.000 1.164 644 A CA 1.613 53.653 52.037 0.005 0.000 0.643 644 A CB -0.396 18.707 19.000 0.173 0.000 0.806 644 A HN 0.552 nan 8.150 nan 0.000 0.451 645 R N -0.485 120.026 120.500 0.018 0.000 2.060 645 R HA -0.046 4.294 4.340 -0.001 0.000 0.218 645 R C 2.743 179.026 176.300 -0.029 0.000 1.200 645 R CA 1.558 57.658 56.100 -0.001 0.000 0.935 645 R CB -0.538 29.770 30.300 0.013 0.000 0.814 645 R HN 0.635 nan 8.270 nan 0.000 0.460 646 S N -0.453 115.233 115.700 -0.023 0.000 2.470 646 S HA 0.133 4.603 4.470 -0.001 0.000 0.225 646 S C 0.804 175.371 174.600 -0.056 0.000 1.006 646 S CA 0.473 58.654 58.200 -0.032 0.000 0.934 646 S CB 0.271 63.459 63.200 -0.019 0.000 0.778 646 S HN 0.708 nan 8.310 nan 0.000 0.517 647 G N 0.340 109.097 108.800 -0.072 0.000 2.629 647 G HA2 0.171 4.131 3.960 -0.001 0.000 0.686 647 G HA3 0.171 4.131 3.960 -0.001 0.000 0.686 647 G C -1.380 173.468 174.900 -0.087 0.000 1.232 647 G CA -0.413 44.618 45.100 -0.116 0.000 0.803 647 G HN 0.940 nan 8.290 nan 0.000 0.638 648 L N 0.659 121.819 121.223 -0.106 0.000 2.346 648 L HA 0.912 5.252 4.340 -0.001 0.000 0.276 648 L C 0.468 177.203 176.870 -0.225 0.000 1.006 648 L CA -0.027 54.731 54.840 -0.136 0.000 0.817 648 L CB 2.089 44.099 42.059 -0.082 0.000 1.272 648 L HN 1.118 nan 8.230 nan 0.000 0.421 649 T N 3.191 117.562 114.554 -0.305 0.000 2.940 649 T HA 0.564 4.914 4.350 -0.001 0.000 0.288 649 T C -0.127 174.282 174.700 -0.484 0.000 1.033 649 T CA -0.083 61.861 62.100 -0.261 0.000 1.033 649 T CB 0.630 69.437 68.868 -0.101 0.000 1.079 649 T HN 0.425 nan 8.240 nan 0.000 0.496 650 F N 0.724 120.690 119.950 0.027 0.000 2.772 650 F HA 0.408 4.934 4.527 -0.000 0.000 0.316 650 F C 1.066 176.854 175.800 -0.021 0.000 1.114 650 F CA -0.622 57.374 58.000 -0.007 0.000 1.191 650 F CB 0.265 39.211 39.000 -0.091 0.000 1.065 650 F HN 0.511 nan 8.300 nan 0.000 0.534 651 Q N 0.827 120.690 119.800 0.106 0.000 2.368 651 Q HA 0.201 4.541 4.340 -0.001 0.000 0.331 651 Q C 1.443 177.451 176.000 0.013 0.000 1.086 651 Q CA 1.588 57.423 55.803 0.053 0.000 1.031 651 Q CB 0.279 29.035 28.738 0.030 0.000 1.125 651 Q HN 0.710 nan 8.270 nan 0.000 0.389 652 G N 3.193 111.968 108.800 -0.041 0.000 2.179 652 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.260 652 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.260 652 G C -0.156 174.563 174.900 -0.302 0.000 0.977 652 G CA 0.455 45.475 45.100 -0.133 0.000 0.641 652 G HN 0.552 nan 8.290 nan 0.000 0.533 653 K N 0.595 120.875 120.400 -0.200 0.000 2.110 653 K HA 0.574 4.894 4.320 -0.001 0.000 0.263 653 K C -0.410 175.986 176.600 -0.340 0.000 0.975 653 K CA -0.813 55.344 56.287 -0.216 0.000 0.895 653 K CB 0.677 33.273 32.500 0.160 0.000 1.060 653 K HN 0.316 nan 8.250 nan 0.000 0.448 654 H N 0.279 119.263 119.070 -0.144 0.000 2.469 654 H HA 0.567 5.122 4.556 -0.001 0.000 0.342 654 H C -0.837 174.446 175.328 -0.075 0.000 1.115 654 H CA -0.864 54.993 56.048 -0.319 0.000 1.204 654 H CB 1.894 31.366 29.762 -0.483 0.000 1.492 654 H HN 0.682 nan 8.280 nan 0.000 0.499 655 A N 3.053 125.897 122.820 0.041 0.000 2.455 655 A HA 0.458 4.777 4.320 -0.001 0.000 0.300 655 A C -1.207 176.447 177.584 0.118 0.000 1.040 655 A CA -0.681 51.416 52.037 0.100 0.000 0.697 655 A CB 1.740 20.725 19.000 -0.025 0.000 1.265 655 A HN 0.506 nan 8.150 nan 0.000 0.407 656 L N 2.061 123.357 121.223 0.121 0.000 2.325 656 L HA 0.872 5.212 4.340 -0.001 0.000 0.279 656 L C -0.486 176.406 176.870 0.036 0.000 1.054 656 L CA -0.156 54.732 54.840 0.080 0.000 0.804 656 L CB 0.897 42.987 42.059 0.051 0.000 1.200 656 L HN 0.698 nan 8.230 nan 0.000 0.436 657 M N 4.710 124.315 119.600 0.008 0.000 2.122 657 M HA 0.271 4.751 4.480 -0.001 0.000 0.269 657 M C -0.827 175.481 176.300 0.014 0.000 0.954 657 M CA -0.482 54.823 55.300 0.008 0.000 0.998 657 M CB 1.919 34.511 32.600 -0.014 0.000 1.755 657 M HN 0.791 nan 8.290 nan 0.000 0.459 658 T N -0.940 113.642 114.554 0.046 0.000 2.771 658 T HA 0.728 5.077 4.350 -0.001 0.000 0.281 658 T C 0.868 175.660 174.700 0.152 0.000 0.982 658 T CA 0.427 62.575 62.100 0.081 0.000 0.978 658 T CB 1.507 70.424 68.868 0.082 0.000 0.930 658 T HN 1.007 nan 8.240 nan 0.000 0.447 659 G N 1.931 110.818 108.800 0.145 0.000 2.154 659 G HA2 0.005 3.965 3.960 -0.001 0.000 0.186 659 G HA3 0.005 3.965 3.960 -0.001 0.000 0.186 659 G C 0.552 175.518 174.900 0.110 0.000 1.000 659 G CA -0.277 44.916 45.100 0.155 0.000 0.664 659 G HN 1.518 nan 8.290 nan 0.000 0.513 660 A N 0.713 123.594 122.820 0.101 0.000 2.543 660 A HA 0.646 4.966 4.320 -0.001 0.000 0.258 660 A C 1.566 179.229 177.584 0.133 0.000 1.391 660 A CA 1.217 53.306 52.037 0.087 0.000 1.066 660 A CB -0.626 18.451 19.000 0.127 0.000 0.972 660 A HN 1.748 nan 8.150 nan 0.000 0.560 661 G N -0.541 108.307 108.800 0.080 0.000 2.732 661 G HA2 0.429 4.389 3.960 -0.001 0.000 0.244 661 G HA3 0.429 4.389 3.960 -0.001 0.000 0.244 661 G C 0.538 175.359 174.900 -0.131 0.000 1.226 661 G CA 0.082 45.189 45.100 0.012 0.000 0.860 661 G HN 1.030 nan 8.290 nan 0.000 0.583 662 A N -0.601 121.985 122.820 -0.390 0.000 2.498 662 A HA 0.548 4.867 4.320 -0.001 0.000 0.239 662 A C 1.530 178.964 177.584 -0.250 0.000 1.068 662 A CA 0.988 52.627 52.037 -0.663 0.000 0.766 662 A CB -0.334 17.971 19.000 -1.159 0.000 1.003 662 A HN 2.653 nan 8.150 nan 0.000 0.497 663 G N 1.153 109.888 108.800 -0.107 0.000 2.272 663 G HA2 0.057 4.017 3.960 -0.001 0.000 0.280 663 G HA3 0.057 4.017 3.960 -0.001 0.000 0.280 663 G C 0.222 175.108 174.900 -0.023 0.000 1.067 663 G CA 0.930 46.008 45.100 -0.038 0.000 0.902 663 G HN 2.349 nan 8.290 nan 0.000 0.500 664 S N -1.703 113.987 115.700 -0.017 0.000 2.627 664 S HA 0.737 5.207 4.470 -0.001 0.000 0.283 664 S C 1.330 175.921 174.600 -0.016 0.000 1.127 664 S CA -0.419 57.777 58.200 -0.007 0.000 0.863 664 S CB 1.653 64.848 63.200 -0.008 0.000 1.121 664 S HN 0.324 nan 8.310 nan 0.000 0.479 665 I N 1.338 121.906 120.570 -0.003 0.000 2.151 665 I HA -0.138 4.032 4.170 -0.001 0.000 0.243 665 I C 2.720 178.724 176.117 -0.188 0.000 1.080 665 I CA 1.946 63.221 61.300 -0.042 0.000 1.339 665 I CB -1.072 36.950 38.000 0.037 0.000 1.039 665 I HN 0.928 nan 8.210 nan 0.000 0.409 666 G N 0.486 109.123 108.800 -0.272 0.000 2.440 666 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.218 666 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.218 666 G C 1.876 176.661 174.900 -0.192 0.000 1.154 666 G CA 0.933 45.812 45.100 -0.368 0.000 0.767 666 G HN 0.520 nan 8.290 nan 0.000 0.552 667 A N 0.722 123.484 122.820 -0.097 0.000 1.883 667 A HA -0.079 4.240 4.320 -0.001 0.000 0.217 667 A C 2.273 179.802 177.584 -0.091 0.000 1.186 667 A CA 2.060 54.066 52.037 -0.052 0.000 0.624 667 A CB -0.360 18.648 19.000 0.012 0.000 0.822 667 A HN 0.315 nan 8.150 nan 0.000 0.444 668 E N -0.183 119.963 120.200 -0.091 0.000 2.031 668 E HA -0.124 4.226 4.350 -0.001 0.000 0.193 668 E C 2.247 178.746 176.600 -0.168 0.000 0.994 668 E CA 1.375 57.716 56.400 -0.099 0.000 0.800 668 E CB -0.865 28.807 29.700 -0.045 0.000 0.752 668 E HN 0.359 nan 8.360 nan 0.000 0.447 669 V N 2.049 121.845 119.914 -0.196 0.000 2.380 669 V HA -0.273 3.847 4.120 -0.001 0.000 0.251 669 V C 2.546 178.468 176.094 -0.287 0.000 1.063 669 V CA 1.689 63.833 62.300 -0.259 0.000 1.055 669 V CB -0.671 30.972 31.823 -0.300 0.000 0.657 669 V HN 0.163 nan 8.190 nan 0.000 0.455 670 L N 0.488 121.577 121.223 -0.223 0.000 1.955 670 L HA -0.260 4.080 4.340 -0.001 0.000 0.213 670 L C 2.614 179.377 176.870 -0.178 0.000 1.072 670 L CA 2.159 56.893 54.840 -0.177 0.000 0.755 670 L CB -0.852 41.155 42.059 -0.087 0.000 0.888 670 L HN 0.395 nan 8.230 nan 0.000 0.432 671 Q N -0.306 119.395 119.800 -0.165 0.000 2.173 671 Q HA -0.205 4.134 4.340 -0.001 0.000 0.208 671 Q C 2.089 177.977 176.000 -0.187 0.000 0.989 671 Q CA 1.461 57.174 55.803 -0.150 0.000 0.872 671 Q CB -0.883 27.768 28.738 -0.145 0.000 0.909 671 Q HN 0.761 nan 8.270 nan 0.000 0.420 672 G N 1.676 110.278 108.800 -0.331 0.000 2.545 672 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.217 672 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.217 672 G C 1.345 176.120 174.900 -0.209 0.000 1.218 672 G CA 1.088 45.871 45.100 -0.527 0.000 0.787 672 G HN 0.203 nan 8.290 nan 0.000 0.571 673 L N 0.344 121.355 121.223 -0.353 0.000 2.187 673 L HA 0.007 4.346 4.340 -0.001 0.000 0.213 673 L C 2.781 179.591 176.870 -0.101 0.000 1.100 673 L CA 0.686 55.277 54.840 -0.415 0.000 0.765 673 L CB -0.404 41.252 42.059 -0.672 0.000 0.904 673 L HN 0.161 nan 8.230 nan 0.000 0.437 674 L N -1.650 119.529 121.223 -0.072 0.000 2.156 674 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 674 L C 2.534 179.423 176.870 0.031 0.000 1.095 674 L CA 0.783 55.631 54.840 0.013 0.000 0.770 674 L CB -0.373 41.703 42.059 0.028 0.000 0.914 674 L HN 0.199 nan 8.230 nan 0.000 0.439 675 S N -0.329 115.396 115.700 0.042 0.000 2.406 675 S HA 0.001 4.471 4.470 -0.001 0.000 0.228 675 S C 1.213 175.890 174.600 0.129 0.000 1.020 675 S CA 0.630 58.878 58.200 0.080 0.000 0.965 675 S CB -0.264 63.012 63.200 0.126 0.000 0.798 675 S HN 0.523 nan 8.310 nan 0.000 0.488 676 G N -0.009 108.920 108.800 0.215 0.000 2.611 676 G HA2 0.407 4.366 3.960 -0.001 0.000 0.273 676 G HA3 0.407 4.366 3.960 -0.001 0.000 0.273 676 G C 0.773 175.761 174.900 0.146 0.000 1.305 676 G CA -0.104 45.127 45.100 0.219 0.000 1.010 676 G HN 0.359 nan 8.290 nan 0.000 0.509 677 G N -0.839 108.035 108.800 0.123 0.000 3.234 677 G HA2 0.424 4.384 3.960 -0.001 0.000 0.221 677 G HA3 0.424 4.384 3.960 -0.001 0.000 0.221 677 G C 0.679 175.615 174.900 0.059 0.000 1.229 677 G CA 0.725 45.874 45.100 0.082 0.000 0.909 677 G HN 0.879 nan 8.290 nan 0.000 0.510 678 A N 0.407 123.261 122.820 0.058 0.000 2.401 678 A HA 0.556 4.875 4.320 -0.001 0.000 0.259 678 A C 0.303 177.865 177.584 -0.036 0.000 1.103 678 A CA -0.228 51.790 52.037 -0.031 0.000 0.789 678 A CB 0.512 19.430 19.000 -0.137 0.000 1.035 678 A HN 0.295 nan 8.150 nan 0.000 0.491 679 K N 1.582 121.912 120.400 -0.116 0.000 2.281 679 K HA 0.472 4.792 4.320 -0.001 0.000 0.272 679 K C -0.580 175.884 176.600 -0.227 0.000 1.048 679 K CA -0.348 55.824 56.287 -0.191 0.000 0.898 679 K CB 1.236 33.453 32.500 -0.470 0.000 1.128 679 K HN 0.584 nan 8.250 nan 0.000 0.460 680 V N 1.069 120.990 119.914 0.012 0.000 2.769 680 V HA 0.587 4.706 4.120 -0.001 0.000 0.312 680 V C -0.275 176.008 176.094 0.316 0.000 1.058 680 V CA -1.138 61.228 62.300 0.110 0.000 0.952 680 V CB 1.835 33.674 31.823 0.027 0.000 1.019 680 V HN 0.721 nan 8.190 nan 0.000 0.445 681 I N 3.016 123.769 120.570 0.305 0.000 2.382 681 I HA 0.640 4.810 4.170 -0.001 0.000 0.285 681 I C -1.058 175.084 176.117 0.041 0.000 1.007 681 I CA -0.592 60.805 61.300 0.161 0.000 1.142 681 I CB 1.371 39.427 38.000 0.094 0.000 1.289 681 I HN 0.561 nan 8.210 nan 0.000 0.453 682 V N 5.763 125.670 119.914 -0.011 0.000 2.435 682 V HA 0.450 4.570 4.120 -0.001 0.000 0.290 682 V C 0.389 176.428 176.094 -0.092 0.000 1.030 682 V CA -0.478 61.803 62.300 -0.032 0.000 0.881 682 V CB 1.669 33.499 31.823 0.012 0.000 0.983 682 V HN 0.801 nan 8.190 nan 0.000 0.445 683 T N 0.720 115.246 114.554 -0.047 0.000 2.795 683 T HA 0.592 4.941 4.350 -0.001 0.000 0.282 683 T C -0.301 174.444 174.700 0.076 0.000 0.980 683 T CA -0.507 61.603 62.100 0.017 0.000 1.012 683 T CB 1.525 70.378 68.868 -0.025 0.000 0.936 683 T HN 0.621 nan 8.240 nan 0.000 0.457 684 T N 1.163 115.772 114.554 0.091 0.000 2.863 684 T HA 0.510 4.859 4.350 -0.001 0.000 0.285 684 T C 1.027 175.816 174.700 0.149 0.000 1.009 684 T CA -0.357 61.792 62.100 0.082 0.000 0.989 684 T CB 1.426 70.259 68.868 -0.058 0.000 1.004 684 T HN 0.845 nan 8.240 nan 0.000 0.455 685 S N 3.448 119.212 115.700 0.106 0.000 2.540 685 S HA 0.270 4.739 4.470 -0.001 0.000 0.218 685 S C 0.464 175.101 174.600 0.062 0.000 0.977 685 S CA -0.511 57.733 58.200 0.074 0.000 0.918 685 S CB 0.031 63.251 63.200 0.034 0.000 0.806 685 S HN 0.667 nan 8.310 nan 0.000 0.496 686 R N 0.864 121.407 120.500 0.071 0.000 2.494 686 R HA 0.343 4.682 4.340 -0.001 0.000 0.284 686 R C -1.583 174.775 176.300 0.096 0.000 1.525 686 R CA -0.363 55.776 56.100 0.066 0.000 1.460 686 R CB 0.265 30.581 30.300 0.027 0.000 1.134 686 R HN 0.359 nan 8.270 nan 0.000 0.592 687 F N 3.170 123.110 119.950 -0.016 0.000 2.567 687 F HA 0.189 4.716 4.527 -0.001 0.000 0.352 687 F C -0.017 175.774 175.800 -0.014 0.000 1.229 687 F CA -0.276 57.710 58.000 -0.024 0.000 1.228 687 F CB 0.357 39.330 39.000 -0.046 0.000 1.568 687 F HN 0.324 nan 8.300 nan 0.000 0.634 688 S N 3.967 119.723 115.700 0.093 0.000 2.689 688 S HA 0.423 4.893 4.470 -0.001 0.000 0.306 688 S C 1.098 175.710 174.600 0.021 0.000 1.104 688 S CA -1.099 57.158 58.200 0.096 0.000 0.973 688 S CB 1.939 65.173 63.200 0.057 0.000 1.121 688 S HN 0.694 nan 8.310 nan 0.000 0.523 689 R N 0.424 120.954 120.500 0.049 0.000 2.105 689 R HA -0.171 4.169 4.340 -0.001 0.000 0.239 689 R C 2.186 178.491 176.300 0.010 0.000 1.135 689 R CA 1.778 57.893 56.100 0.025 0.000 0.967 689 R CB -0.485 29.834 30.300 0.032 0.000 0.861 689 R HN 0.893 nan 8.270 nan 0.000 0.442 690 Q N 0.201 120.012 119.800 0.018 0.000 2.135 690 Q HA -0.137 4.203 4.340 -0.001 0.000 0.204 690 Q C 1.830 177.856 176.000 0.044 0.000 0.981 690 Q CA 1.845 57.661 55.803 0.022 0.000 0.856 690 Q CB 0.146 28.893 28.738 0.015 0.000 0.902 690 Q HN 0.283 nan 8.270 nan 0.000 0.425 691 V N 0.079 120.007 119.914 0.024 0.000 2.535 691 V HA -0.145 3.974 4.120 -0.001 0.000 0.246 691 V C 2.211 178.385 176.094 0.134 0.000 1.045 691 V CA 1.712 64.065 62.300 0.089 0.000 1.058 691 V CB -0.403 31.421 31.823 0.001 0.000 0.689 691 V HN 0.412 nan 8.190 nan 0.000 0.461 692 T N -0.046 114.464 114.554 -0.072 0.000 2.635 692 T HA -0.252 4.098 4.350 -0.001 0.000 0.267 692 T C 1.787 176.549 174.700 0.104 0.000 1.040 692 T CA 1.999 64.070 62.100 -0.048 0.000 1.156 692 T CB -0.209 68.620 68.868 -0.066 0.000 0.863 692 T HN 0.565 nan 8.240 nan 0.000 0.430 693 E N -0.140 120.088 120.200 0.047 0.000 2.012 693 E HA -0.181 4.169 4.350 -0.001 0.000 0.197 693 E C 1.965 178.576 176.600 0.019 0.000 1.007 693 E CA 1.527 57.919 56.400 -0.013 0.000 0.816 693 E CB -0.440 29.243 29.700 -0.029 0.000 0.762 693 E HN 0.600 nan 8.360 nan 0.000 0.451 694 Y N 0.778 121.058 120.300 -0.033 0.000 2.062 694 Y HA -0.383 4.167 4.550 -0.000 0.000 0.273 694 Y C 2.088 177.921 175.900 -0.111 0.000 1.206 694 Y CA 2.141 60.189 58.100 -0.087 0.000 1.125 694 Y CB -0.701 37.702 38.460 -0.095 0.000 0.951 694 Y HN 0.111 nan 8.280 nan 0.000 0.501 695 Y N 0.291 120.565 120.300 -0.044 0.000 2.163 695 Y HA -0.257 4.293 4.550 -0.001 0.000 0.288 695 Y C 2.791 178.655 175.900 -0.060 0.000 1.136 695 Y CA 1.762 59.824 58.100 -0.063 0.000 1.147 695 Y CB -0.970 37.579 38.460 0.147 0.000 0.987 695 Y HN 0.426 nan 8.280 nan 0.000 0.509 696 Q N 0.053 119.859 119.800 0.009 0.000 2.170 696 Q HA -0.065 4.275 4.340 -0.001 0.000 0.203 696 Q C 2.332 178.086 176.000 -0.411 0.000 0.976 696 Q CA 1.874 57.400 55.803 -0.461 0.000 0.858 696 Q CB -1.139 27.052 28.738 -0.912 0.000 0.907 696 Q HN 0.321 nan 8.270 nan 0.000 0.433 697 G N 1.498 110.080 108.800 -0.363 0.000 2.459 697 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.217 697 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.217 697 G C 1.515 176.185 174.900 -0.383 0.000 1.183 697 G CA 1.137 46.004 45.100 -0.388 0.000 0.776 697 G HN 0.391 nan 8.290 nan 0.000 0.552 698 I N -0.660 119.659 120.570 -0.418 0.000 2.194 698 I HA -0.243 3.927 4.170 -0.001 0.000 0.246 698 I C 2.487 178.491 176.117 -0.189 0.000 1.093 698 I CA 1.529 62.618 61.300 -0.352 0.000 1.355 698 I CB -0.220 37.510 38.000 -0.450 0.000 1.046 698 I HN 0.283 nan 8.210 nan 0.000 0.413 699 Y N 1.282 121.448 120.300 -0.223 0.000 2.439 699 Y HA -0.086 4.464 4.550 -0.001 0.000 0.292 699 Y C 2.374 178.142 175.900 -0.221 0.000 1.130 699 Y CA 0.940 58.963 58.100 -0.129 0.000 1.254 699 Y CB -0.157 38.315 38.460 0.019 0.000 1.000 699 Y HN 0.114 nan 8.280 nan 0.000 0.554 700 A N 0.155 122.702 122.820 -0.456 0.000 2.015 700 A HA -0.082 4.237 4.320 -0.001 0.000 0.219 700 A C 2.061 179.428 177.584 -0.362 0.000 1.163 700 A CA 1.243 52.867 52.037 -0.690 0.000 0.646 700 A CB -0.204 18.245 19.000 -0.918 0.000 0.806 700 A HN 0.351 nan 8.150 nan 0.000 0.448 701 R N -1.830 118.487 120.500 -0.305 0.000 2.254 701 R HA 0.163 4.503 4.340 -0.001 0.000 0.193 701 R C 1.067 177.261 176.300 -0.177 0.000 0.929 701 R CA 0.927 56.903 56.100 -0.206 0.000 1.038 701 R CB -0.653 29.531 30.300 -0.194 0.000 1.009 701 R HN 0.520 nan 8.270 nan 0.000 0.512 702 C N 0.029 119.199 119.300 -0.218 0.000 3.336 702 C HA 0.345 4.805 4.460 -0.001 0.000 0.291 702 C C 1.231 176.095 174.990 -0.210 0.000 1.363 702 C CA -0.773 58.147 59.018 -0.164 0.000 1.737 702 C CB 0.000 27.667 27.740 -0.122 0.000 2.274 702 C HN 0.368 nan 8.230 nan 0.000 0.663 703 G N 1.788 110.319 108.800 -0.449 0.000 2.605 703 G HA2 0.474 4.434 3.960 -0.001 0.000 0.301 703 G HA3 0.474 4.434 3.960 -0.001 0.000 0.301 703 G C 0.394 175.137 174.900 -0.261 0.000 0.881 703 G CA 0.414 45.120 45.100 -0.658 0.000 1.553 703 G HN 0.605 nan 8.290 nan 0.000 0.483 704 A N 3.668 126.438 122.820 -0.083 0.000 2.386 704 A HA 0.563 4.883 4.320 -0.001 0.000 0.248 704 A C 1.069 178.682 177.584 0.048 0.000 1.082 704 A CA -0.672 51.364 52.037 -0.001 0.000 0.789 704 A CB 0.299 19.318 19.000 0.032 0.000 1.025 704 A HN 0.924 nan 8.150 nan 0.000 0.490 705 R N 0.919 121.460 120.500 0.069 0.000 2.697 705 R HA 0.351 4.691 4.340 -0.001 0.000 0.265 705 R C 1.069 177.432 176.300 0.106 0.000 1.009 705 R CA 0.363 56.526 56.100 0.106 0.000 1.099 705 R CB -0.211 30.148 30.300 0.098 0.000 0.965 705 R HN 1.905 nan 8.270 nan 0.000 0.428 706 G N 0.922 109.799 108.800 0.128 0.000 2.320 706 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.242 706 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.242 706 G C 0.231 175.205 174.900 0.124 0.000 1.033 706 G CA 0.304 45.468 45.100 0.108 0.000 0.620 706 G HN 1.066 nan 8.290 nan 0.000 0.517 707 S N -0.323 115.477 115.700 0.165 0.000 2.614 707 S HA 0.658 5.127 4.470 -0.001 0.000 0.265 707 S C -0.201 174.588 174.600 0.315 0.000 1.303 707 S CA 0.833 59.160 58.200 0.212 0.000 1.000 707 S CB 2.001 65.339 63.200 0.230 0.000 0.935 707 S HN 1.153 nan 8.310 nan 0.000 0.551 708 Q N 0.643 120.597 119.800 0.256 0.000 2.320 708 Q HA 0.525 4.864 4.340 -0.001 0.000 0.272 708 Q C -2.172 173.873 176.000 0.074 0.000 1.023 708 Q CA -0.632 55.253 55.803 0.136 0.000 0.855 708 Q CB 1.619 30.457 28.738 0.167 0.000 1.367 708 Q HN 0.835 nan 8.270 nan 0.000 0.406 709 L N 4.529 125.652 121.223 -0.167 0.000 2.343 709 L HA 0.636 4.976 4.340 -0.001 0.000 0.278 709 L C -1.498 175.246 176.870 -0.210 0.000 0.996 709 L CA -0.801 53.983 54.840 -0.093 0.000 0.831 709 L CB 1.823 43.847 42.059 -0.057 0.000 1.232 709 L HN 0.534 nan 8.230 nan 0.000 0.413 710 V N 5.902 125.756 119.914 -0.101 0.000 2.326 710 V HA 0.338 4.457 4.120 -0.001 0.000 0.281 710 V C 0.103 176.070 176.094 -0.211 0.000 1.015 710 V CA -0.535 61.646 62.300 -0.197 0.000 0.823 710 V CB 1.849 33.596 31.823 -0.127 0.000 1.009 710 V HN 0.453 nan 8.190 nan 0.000 0.436 711 V N 5.648 125.345 119.914 -0.361 0.000 2.617 711 V HA 0.660 4.780 4.120 -0.001 0.000 0.298 711 V C -0.036 175.982 176.094 -0.126 0.000 1.048 711 V CA -0.382 61.714 62.300 -0.340 0.000 0.964 711 V CB 1.961 33.432 31.823 -0.586 0.000 1.004 711 V HN 0.558 nan 8.190 nan 0.000 0.466 712 V N 4.755 124.668 119.914 -0.002 0.000 3.012 712 V HA 0.468 4.588 4.120 -0.001 0.000 0.307 712 V C -2.686 173.603 176.094 0.325 0.000 1.166 712 V CA -1.662 60.746 62.300 0.179 0.000 0.974 712 V CB 3.193 35.110 31.823 0.157 0.000 1.040 712 V HN 0.772 nan 8.190 nan 0.000 0.428 713 P HA 0.545 nan 4.420 nan 0.000 0.285 713 P C -1.397 176.111 177.300 0.347 0.000 1.259 713 P CA -0.138 63.144 63.100 0.304 0.000 0.794 713 P CB 0.691 32.332 31.700 -0.098 0.000 0.940 714 F N 2.183 122.203 119.950 0.116 0.000 2.693 714 F HA 0.528 5.055 4.527 -0.000 0.000 0.309 714 F C -1.710 174.112 175.800 0.036 0.000 1.129 714 F CA -0.708 57.348 58.000 0.094 0.000 0.948 714 F CB 2.085 41.126 39.000 0.068 0.000 1.315 714 F HN 0.273 nan 8.300 nan 0.000 0.447 715 N N 3.009 121.120 118.700 -0.981 0.000 2.621 715 N HA 0.156 4.895 4.740 -0.001 0.000 0.271 715 N C -0.429 174.525 175.510 -0.926 0.000 1.181 715 N CA -0.203 52.440 53.050 -0.678 0.000 0.805 715 N CB 1.301 39.560 38.487 -0.379 0.000 1.351 715 N HN 0.788 nan 8.380 nan 0.000 0.539 716 Q N 1.729 121.133 119.800 -0.659 0.000 2.541 716 Q HA 0.010 4.350 4.340 -0.001 0.000 0.215 716 Q C 1.472 177.329 176.000 -0.238 0.000 0.977 716 Q CA 0.945 56.537 55.803 -0.351 0.000 0.934 716 Q CB 0.126 28.934 28.738 0.116 0.000 0.988 716 Q HN 0.777 nan 8.270 nan 0.000 0.521 717 G N -0.318 108.316 108.800 -0.276 0.000 2.744 717 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.211 717 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.211 717 G C 0.329 175.071 174.900 -0.264 0.000 1.143 717 G CA 0.245 45.195 45.100 -0.249 0.000 0.788 717 G HN 0.231 nan 8.290 nan 0.000 0.534 718 S N -0.342 115.181 115.700 -0.294 0.000 2.433 718 S HA 0.330 4.800 4.470 -0.001 0.000 0.310 718 S C 1.232 175.726 174.600 -0.177 0.000 1.097 718 S CA -0.582 57.474 58.200 -0.240 0.000 1.103 718 S CB 1.614 64.662 63.200 -0.254 0.000 0.992 718 S HN 0.283 nan 8.310 nan 0.000 0.469 719 K N 3.842 124.167 120.400 -0.124 0.000 2.063 719 K HA -0.190 4.130 4.320 -0.001 0.000 0.208 719 K C 1.712 178.271 176.600 -0.069 0.000 1.048 719 K CA 1.845 58.084 56.287 -0.081 0.000 0.928 719 K CB -0.189 32.273 32.500 -0.065 0.000 0.713 719 K HN 0.797 nan 8.250 nan 0.000 0.442 720 Q N 0.348 120.100 119.800 -0.079 0.000 2.016 720 Q HA -0.167 4.173 4.340 -0.001 0.000 0.200 720 Q C 1.914 177.893 176.000 -0.035 0.000 0.978 720 Q CA 1.680 57.450 55.803 -0.055 0.000 0.833 720 Q CB -0.124 28.578 28.738 -0.059 0.000 0.895 720 Q HN 0.348 nan 8.270 nan 0.000 0.427 721 D N 0.069 120.431 120.400 -0.064 0.000 2.126 721 D HA -0.170 4.469 4.640 -0.001 0.000 0.190 721 D C 1.923 178.301 176.300 0.129 0.000 1.001 721 D CA 1.075 55.058 54.000 -0.029 0.000 0.841 721 D CB -0.296 40.318 40.800 -0.311 0.000 0.949 721 D HN 0.008 nan 8.370 nan 0.000 0.446 722 V N 1.075 121.064 119.914 0.124 0.000 2.231 722 V HA -0.253 3.866 4.120 -0.001 0.000 0.248 722 V C 2.125 178.238 176.094 0.032 0.000 1.054 722 V CA 2.021 64.448 62.300 0.210 0.000 1.015 722 V CB -0.471 31.415 31.823 0.105 0.000 0.638 722 V HN 0.300 nan 8.190 nan 0.000 0.444 723 E N -0.214 119.976 120.200 -0.018 0.000 2.409 723 E HA -0.068 4.282 4.350 -0.001 0.000 0.198 723 E C 2.030 178.590 176.600 -0.066 0.000 1.024 723 E CA 0.921 57.289 56.400 -0.053 0.000 0.861 723 E CB -0.151 29.518 29.700 -0.051 0.000 0.788 723 E HN 0.641 nan 8.360 nan 0.000 0.521 724 A N 1.280 124.054 122.820 -0.076 0.000 1.901 724 A HA 0.020 4.340 4.320 -0.001 0.000 0.210 724 A C 2.076 179.443 177.584 -0.361 0.000 1.208 724 A CA 0.022 51.997 52.037 -0.104 0.000 0.644 724 A CB -0.467 18.540 19.000 0.011 0.000 0.863 724 A HN 0.206 nan 8.150 nan 0.000 0.454 725 L N 0.340 121.196 121.223 -0.612 0.000 1.997 725 L HA -0.219 4.121 4.340 -0.001 0.000 0.216 725 L C 2.410 179.062 176.870 -0.363 0.000 1.074 725 L CA 2.030 56.362 54.840 -0.845 0.000 0.763 725 L CB -0.351 41.342 42.059 -0.611 0.000 0.890 725 L HN 0.249 nan 8.230 nan 0.000 0.434 726 V N 0.560 120.348 119.914 -0.210 0.000 2.453 726 V HA -0.318 3.802 4.120 -0.001 0.000 0.252 726 V C 2.058 178.151 176.094 -0.001 0.000 1.068 726 V CA 2.156 64.403 62.300 -0.089 0.000 1.070 726 V CB -0.835 30.916 31.823 -0.119 0.000 0.664 726 V HN 0.578 nan 8.190 nan 0.000 0.461 727 N N -1.334 117.350 118.700 -0.027 0.000 2.376 727 N HA -0.078 4.661 4.740 -0.001 0.000 0.177 727 N C 1.586 177.151 175.510 0.092 0.000 1.024 727 N CA 0.712 53.788 53.050 0.043 0.000 0.893 727 N CB -0.417 38.089 38.487 0.031 0.000 0.980 727 N HN 0.594 nan 8.380 nan 0.000 0.439 728 Y N 1.865 122.130 120.300 -0.059 0.000 2.181 728 Y HA -0.009 4.541 4.550 -0.000 0.000 0.288 728 Y C 1.893 177.722 175.900 -0.119 0.000 1.146 728 Y CA 1.185 59.272 58.100 -0.022 0.000 1.164 728 Y CB -0.296 38.229 38.460 0.108 0.000 0.982 728 Y HN -0.038 nan 8.280 nan 0.000 0.515 729 I N -1.432 119.049 120.570 -0.147 0.000 2.315 729 I HA -0.317 3.853 4.170 -0.001 0.000 0.248 729 I C 1.276 177.224 176.117 -0.283 0.000 1.117 729 I CA 1.616 62.739 61.300 -0.295 0.000 1.404 729 I CB -0.497 37.465 38.000 -0.062 0.000 1.071 729 I HN 0.183 nan 8.210 nan 0.000 0.419 730 Y N -0.165 120.040 120.300 -0.158 0.000 2.458 730 Y HA 0.124 4.673 4.550 -0.001 0.000 0.256 730 Y C 0.623 176.492 175.900 -0.052 0.000 1.159 730 Y CA -0.670 57.385 58.100 -0.075 0.000 1.261 730 Y CB 0.255 38.703 38.460 -0.020 0.000 1.119 730 Y HN 0.022 nan 8.280 nan 0.000 0.524 731 D N 0.270 120.679 120.400 0.016 0.000 2.348 731 D HA -0.035 4.604 4.640 -0.001 0.000 0.253 731 D C 1.455 177.735 176.300 -0.034 0.000 1.161 731 D CA 0.510 54.517 54.000 0.011 0.000 0.876 731 D CB 1.372 42.179 40.800 0.011 0.000 1.160 731 D HN 0.227 nan 8.370 nan 0.000 0.459 732 T N 2.224 116.788 114.554 0.016 0.000 2.812 732 T HA -0.117 4.233 4.350 -0.001 0.000 0.264 732 T C 1.478 176.172 174.700 -0.010 0.000 1.042 732 T CA 1.259 63.365 62.100 0.011 0.000 1.140 732 T CB 0.017 68.911 68.868 0.044 0.000 0.870 732 T HN 0.326 nan 8.240 nan 0.000 0.445 733 K N 0.774 121.173 120.400 -0.002 0.000 1.992 733 K HA 0.130 4.449 4.320 -0.001 0.000 0.210 733 K C 2.141 178.734 176.600 -0.012 0.000 1.036 733 K CA 1.589 57.874 56.287 -0.002 0.000 0.946 733 K CB -0.088 32.416 32.500 0.008 0.000 0.742 733 K HN 0.224 nan 8.250 nan 0.000 0.442 734 N N -0.183 118.516 118.700 -0.002 0.000 2.325 734 N HA 0.071 4.811 4.740 -0.001 0.000 0.182 734 N C 0.483 175.996 175.510 0.006 0.000 1.088 734 N CA 0.286 53.343 53.050 0.012 0.000 0.879 734 N CB 0.499 39.008 38.487 0.037 0.000 0.983 734 N HN 0.197 nan 8.380 nan 0.000 0.471 735 G N 0.331 109.089 108.800 -0.070 0.000 2.489 735 G HA2 0.307 4.266 3.960 -0.001 0.000 0.271 735 G HA3 0.307 4.266 3.960 -0.001 0.000 0.271 735 G C 0.627 175.225 174.900 -0.503 0.000 1.427 735 G CA -0.459 44.470 45.100 -0.286 0.000 1.057 735 G HN 0.263 nan 8.290 nan 0.000 0.532 736 L N -1.961 118.733 121.223 -0.882 0.000 2.818 736 L HA 0.450 4.790 4.340 -0.001 0.000 0.243 736 L C 1.163 177.636 176.870 -0.662 0.000 1.185 736 L CA 0.351 54.699 54.840 -0.819 0.000 0.988 736 L CB -0.304 41.041 42.059 -1.191 0.000 1.292 736 L HN 0.834 nan 8.230 nan 0.000 0.519 737 G N 0.714 109.264 108.800 -0.416 0.000 2.451 737 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.296 737 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.296 737 G C -0.102 174.741 174.900 -0.095 0.000 0.922 737 G CA 0.455 45.441 45.100 -0.190 0.000 1.074 737 G HN 0.557 nan 8.290 nan 0.000 0.509 738 W N -0.745 120.265 121.300 -0.484 0.000 2.169 738 W HA 0.716 5.376 4.660 -0.001 0.000 0.447 738 W C 0.387 176.437 176.519 -0.783 0.000 1.829 738 W CA -0.976 55.990 57.345 -0.632 0.000 2.025 738 W CB 0.588 29.618 29.460 -0.717 0.000 1.542 738 W HN 0.159 nan 8.180 nan 0.000 0.727 739 D N 0.001 120.169 120.400 -0.387 0.000 2.934 739 D HA 0.314 4.954 4.640 -0.001 0.000 0.230 739 D C -1.283 174.936 176.300 -0.135 0.000 1.204 739 D CA -0.393 53.271 54.000 -0.561 0.000 0.873 739 D CB 1.508 41.931 40.800 -0.627 0.000 1.645 739 D HN 0.122 nan 8.370 nan 0.000 0.502 740 L N 2.850 124.058 121.223 -0.024 0.000 2.326 740 L HA 0.287 4.626 4.340 -0.001 0.000 0.278 740 L C 0.914 177.846 176.870 0.103 0.000 1.092 740 L CA -0.367 54.542 54.840 0.116 0.000 0.810 740 L CB 1.140 43.314 42.059 0.192 0.000 1.153 740 L HN 0.424 nan 8.230 nan 0.000 0.439 741 D N 0.943 121.408 120.400 0.109 0.000 2.463 741 D HA 0.092 4.732 4.640 -0.001 0.000 0.237 741 D C -0.484 175.745 176.300 -0.120 0.000 1.013 741 D CA 0.914 54.920 54.000 0.010 0.000 0.910 741 D CB 0.590 41.434 40.800 0.072 0.000 1.080 741 D HN 0.291 nan 8.370 nan 0.000 0.498 742 Y N -0.133 120.182 120.300 0.025 0.000 2.499 742 Y HA 0.533 5.083 4.550 -0.001 0.000 0.347 742 Y C -0.329 175.589 175.900 0.030 0.000 0.987 742 Y CA -1.032 57.080 58.100 0.019 0.000 1.044 742 Y CB 2.664 41.100 38.460 -0.040 0.000 1.245 742 Y HN -0.429 nan 8.280 nan 0.000 0.461 743 V N 3.385 123.408 119.914 0.181 0.000 2.482 743 V HA 0.374 4.493 4.120 -0.001 0.000 0.295 743 V C -1.125 175.050 176.094 0.134 0.000 1.026 743 V CA -0.777 61.598 62.300 0.125 0.000 0.856 743 V CB 1.838 33.712 31.823 0.086 0.000 1.001 743 V HN 0.550 nan 8.190 nan 0.000 0.424 744 V N 7.672 127.667 119.914 0.135 0.000 2.276 744 V HA 0.324 4.443 4.120 -0.001 0.000 0.268 744 V C -2.430 173.861 176.094 0.329 0.000 1.032 744 V CA -1.495 60.940 62.300 0.225 0.000 0.810 744 V CB 1.617 33.493 31.823 0.089 0.000 1.060 744 V HN 0.730 nan 8.190 nan 0.000 0.446 745 P HA 0.287 nan 4.420 nan 0.000 0.225 745 P C -0.024 177.371 177.300 0.159 0.000 1.813 745 P CA -0.082 63.115 63.100 0.163 0.000 1.013 745 P CB -0.251 31.468 31.700 0.031 0.000 1.961 746 F N 0.594 120.550 119.950 0.010 0.000 2.713 746 F HA 0.317 4.843 4.527 -0.001 0.000 0.294 746 F C 1.383 177.200 175.800 0.028 0.000 1.152 746 F CA -0.963 57.045 58.000 0.014 0.000 1.385 746 F CB -0.672 38.333 39.000 0.008 0.000 0.981 746 F HN 0.092 nan 8.300 nan 0.000 0.514 747 A N 1.168 124.085 122.820 0.163 0.000 2.524 747 A HA 0.595 4.914 4.320 -0.001 0.000 0.250 747 A C 0.321 177.951 177.584 0.076 0.000 1.078 747 A CA 0.540 52.651 52.037 0.124 0.000 0.761 747 A CB -0.347 18.730 19.000 0.128 0.000 1.012 747 A HN 0.411 nan 8.150 nan 0.000 0.500 748 A N 2.695 125.553 122.820 0.063 0.000 2.589 748 A HA 0.692 5.012 4.320 -0.001 0.000 0.296 748 A C -0.926 176.662 177.584 0.006 0.000 1.062 748 A CA -0.409 51.647 52.037 0.032 0.000 0.686 748 A CB 0.964 19.977 19.000 0.021 0.000 1.282 748 A HN 0.770 nan 8.150 nan 0.000 0.404 749 I N 1.946 122.511 120.570 -0.008 0.000 2.465 749 I HA 0.372 4.542 4.170 -0.001 0.000 0.291 749 I C -2.373 173.704 176.117 -0.066 0.000 1.014 749 I CA -2.204 59.080 61.300 -0.027 0.000 1.093 749 I CB 2.643 40.638 38.000 -0.009 0.000 1.267 749 I HN 0.368 nan 8.210 nan 0.000 0.431 750 P HA 0.078 nan 4.420 nan 0.000 0.267 750 P C -0.102 177.144 177.300 -0.089 0.000 1.328 750 P CA -0.018 63.012 63.100 -0.117 0.000 0.990 750 P CB 0.084 31.729 31.700 -0.093 0.000 1.168 751 E N 1.124 121.261 120.200 -0.103 0.000 2.479 751 E HA -0.014 4.336 4.350 -0.001 0.000 0.193 751 E C 0.368 176.934 176.600 -0.056 0.000 1.049 751 E CA -0.523 55.846 56.400 -0.051 0.000 0.870 751 E CB -0.253 29.441 29.700 -0.011 0.000 0.944 751 E HN 0.277 nan 8.360 nan 0.000 0.492 752 N N 1.744 120.386 118.700 -0.095 0.000 1.935 752 N HA -0.176 4.564 4.740 -0.001 0.000 0.304 752 N C 0.833 176.319 175.510 -0.040 0.000 1.286 752 N CA 1.890 54.892 53.050 -0.081 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 2.701 111.486 108.800 -0.024 0.000 2.229 753 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.189 753 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.189 753 G C -0.436 174.465 174.900 0.002 0.000 1.000 753 G CA 0.067 45.162 45.100 -0.009 0.000 0.663 753 G HN 0.877 nan 8.290 nan 0.000 0.493 754 R N 0.761 121.265 120.500 0.007 0.000 2.561 754 R HA 0.719 5.059 4.340 -0.001 0.000 0.297 754 R C -0.573 175.739 176.300 0.019 0.000 0.969 754 R CA -0.905 55.202 56.100 0.013 0.000 0.879 754 R CB 1.927 32.234 30.300 0.013 0.000 1.178 754 R HN 0.311 nan 8.270 nan 0.000 0.445 755 E N 1.790 122.001 120.200 0.018 0.000 2.330 755 E HA 0.138 4.487 4.350 -0.001 0.000 0.256 755 E C 1.210 177.818 176.600 0.014 0.000 1.146 755 E CA -0.626 55.785 56.400 0.019 0.000 0.945 755 E CB 1.169 30.879 29.700 0.017 0.000 1.182 755 E HN 0.721 nan 8.360 nan 0.000 0.480 756 I N -1.493 119.084 120.570 0.012 0.000 2.657 756 I HA -0.231 3.938 4.170 -0.001 0.000 0.261 756 I C 1.519 177.639 176.117 0.004 0.000 1.212 756 I CA 1.170 62.474 61.300 0.006 0.000 1.453 756 I CB -0.187 37.816 38.000 0.004 0.000 1.092 756 I HN 0.425 nan 8.210 nan 0.000 0.452 757 D N 2.576 122.980 120.400 0.006 0.000 2.200 757 D HA -0.211 4.429 4.640 -0.001 0.000 0.192 757 D C 0.528 176.830 176.300 0.003 0.000 1.008 757 D CA 1.987 55.990 54.000 0.005 0.000 0.872 757 D CB 0.009 40.813 40.800 0.007 0.000 0.923 757 D HN 0.674 nan 8.370 nan 0.000 0.447 758 S N -0.654 115.049 115.700 0.005 0.000 2.446 758 S HA 0.392 4.862 4.470 -0.001 0.000 0.230 758 S C -0.584 174.021 174.600 0.008 0.000 1.051 758 S CA -0.865 57.338 58.200 0.005 0.000 1.113 758 S CB 0.302 63.506 63.200 0.005 0.000 1.184 758 S HN 0.011 nan 8.310 nan 0.000 0.435 759 I N 4.466 125.040 120.570 0.007 0.000 2.243 759 I HA 0.193 4.362 4.170 -0.001 0.000 0.297 759 I C 0.692 176.819 176.117 0.016 0.000 1.161 759 I CA -0.091 61.217 61.300 0.014 0.000 1.298 759 I CB -0.268 37.739 38.000 0.011 0.000 1.475 759 I HN 0.692 nan 8.210 nan 0.000 0.561 760 D N 2.667 123.081 120.400 0.024 0.000 2.380 760 D HA 0.003 4.643 4.640 -0.001 0.000 0.254 760 D C 1.480 177.809 176.300 0.048 0.000 1.288 760 D CA -0.130 53.887 54.000 0.028 0.000 1.008 760 D CB 0.283 41.100 40.800 0.029 0.000 1.099 760 D HN 0.232 nan 8.370 nan 0.000 0.537 761 S N -0.653 115.083 115.700 0.060 0.000 2.359 761 S HA -0.299 4.171 4.470 -0.001 0.000 0.222 761 S C 1.775 176.469 174.600 0.155 0.000 1.038 761 S CA 2.221 60.487 58.200 0.112 0.000 1.051 761 S CB -0.528 62.747 63.200 0.125 0.000 0.944 761 S HN 0.571 nan 8.310 nan 0.000 0.433 762 K N 0.290 120.755 120.400 0.108 0.000 2.052 762 K HA -0.153 4.167 4.320 -0.001 0.000 0.215 762 K C 2.261 178.923 176.600 0.103 0.000 1.053 762 K CA 2.052 58.393 56.287 0.089 0.000 0.934 762 K CB -0.503 32.026 32.500 0.049 0.000 0.717 762 K HN 0.451 nan 8.250 nan 0.000 0.450 763 S N 0.536 116.293 115.700 0.094 0.000 2.353 763 S HA -0.216 4.254 4.470 -0.001 0.000 0.222 763 S C 1.853 176.549 174.600 0.160 0.000 1.035 763 S CA 1.713 59.974 58.200 0.102 0.000 1.025 763 S CB -0.383 62.860 63.200 0.072 0.000 0.902 763 S HN 0.460 nan 8.310 nan 0.000 0.440 764 E N 0.693 120.999 120.200 0.175 0.000 2.085 764 E HA -0.199 4.151 4.350 -0.001 0.000 0.194 764 E C 2.048 178.838 176.600 0.318 0.000 0.994 764 E CA 1.103 57.645 56.400 0.237 0.000 0.801 764 E CB -0.211 29.590 29.700 0.168 0.000 0.743 764 E HN 0.321 nan 8.360 nan 0.000 0.453 765 L N 0.923 122.348 121.223 0.337 0.000 1.970 765 L HA -0.123 4.216 4.340 -0.001 0.000 0.212 765 L C 2.293 179.214 176.870 0.085 0.000 1.071 765 L CA 2.503 57.439 54.840 0.160 0.000 0.751 765 L CB -1.232 40.855 42.059 0.047 0.000 0.889 765 L HN 0.171 nan 8.230 nan 0.000 0.432 766 A N -1.287 121.593 122.820 0.101 0.000 1.892 766 A HA -0.349 3.971 4.320 -0.001 0.000 0.218 766 A C 2.464 180.136 177.584 0.147 0.000 1.188 766 A CA 2.069 54.162 52.037 0.093 0.000 0.631 766 A CB -1.379 17.675 19.000 0.090 0.000 0.822 766 A HN 0.813 nan 8.150 nan 0.000 0.447 767 H N -1.163 117.948 119.070 0.069 0.000 2.491 767 H HA -0.031 4.524 4.556 -0.001 0.000 0.290 767 H C 2.292 177.650 175.328 0.050 0.000 1.050 767 H CA 1.169 57.254 56.048 0.061 0.000 1.309 767 H CB 0.033 29.833 29.762 0.063 0.000 1.392 767 H HN 0.516 nan 8.280 nan 0.000 0.554 768 R N 0.386 120.882 120.500 -0.005 0.000 2.127 768 R HA -0.005 4.334 4.340 -0.001 0.000 0.217 768 R C 2.202 178.465 176.300 -0.061 0.000 1.074 768 R CA 0.713 56.765 56.100 -0.080 0.000 0.991 768 R CB 0.140 30.441 30.300 0.002 0.000 0.895 768 R HN 0.333 nan 8.270 nan 0.000 0.450 769 I N 0.100 120.654 120.570 -0.026 0.000 2.286 769 I HA -0.220 3.950 4.170 -0.001 0.000 0.245 769 I C 2.173 178.294 176.117 0.007 0.000 1.104 769 I CA 1.242 62.529 61.300 -0.021 0.000 1.397 769 I CB -0.085 37.908 38.000 -0.013 0.000 1.072 769 I HN 0.229 nan 8.210 nan 0.000 0.417 770 M N -0.522 119.100 119.600 0.036 0.000 2.447 770 M HA -0.079 4.401 4.480 -0.001 0.000 0.264 770 M C 1.723 178.038 176.300 0.026 0.000 1.095 770 M CA 1.325 56.655 55.300 0.050 0.000 1.125 770 M CB 0.323 32.987 32.600 0.107 0.000 1.389 770 M HN 0.242 nan 8.290 nan 0.000 0.459 771 L N -1.854 119.370 121.223 0.003 0.000 2.862 771 L HA 0.164 4.504 4.340 -0.001 0.000 0.169 771 L C 2.107 178.922 176.870 -0.092 0.000 1.164 771 L CA 1.068 55.887 54.840 -0.036 0.000 0.858 771 L CB -0.867 41.203 42.059 0.019 0.000 1.329 771 L HN 0.168 nan 8.230 nan 0.000 0.514 772 T N -0.822 113.639 114.554 -0.155 0.000 2.720 772 T HA -0.112 4.237 4.350 -0.001 0.000 0.268 772 T C 1.537 176.186 174.700 -0.084 0.000 1.037 772 T CA 1.866 63.893 62.100 -0.122 0.000 1.144 772 T CB -0.599 68.189 68.868 -0.134 0.000 0.864 772 T HN 0.286 nan 8.240 nan 0.000 0.444 773 N N 0.607 119.265 118.700 -0.070 0.000 2.415 773 N HA 0.254 4.993 4.740 -0.001 0.000 0.176 773 N C 1.668 177.160 175.510 -0.031 0.000 1.042 773 N CA 0.116 53.138 53.050 -0.046 0.000 0.902 773 N CB -0.375 38.088 38.487 -0.040 0.000 0.986 773 N HN 0.313 nan 8.380 nan 0.000 0.447 774 L N 0.466 121.667 121.223 -0.037 0.000 2.017 774 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 774 L C 1.830 178.652 176.870 -0.080 0.000 1.073 774 L CA 1.072 55.887 54.840 -0.041 0.000 0.745 774 L CB -0.170 41.860 42.059 -0.048 0.000 0.894 774 L HN 0.119 nan 8.230 nan 0.000 0.432 775 L N -0.793 120.371 121.223 -0.099 0.000 2.083 775 L HA -0.232 4.107 4.340 -0.001 0.000 0.209 775 L C 2.741 179.518 176.870 -0.155 0.000 1.083 775 L CA 1.192 55.946 54.840 -0.144 0.000 0.752 775 L CB -0.439 41.543 42.059 -0.129 0.000 0.899 775 L HN 0.239 nan 8.230 nan 0.000 0.433 776 R N -0.497 119.937 120.500 -0.111 0.000 2.153 776 R HA -0.077 4.263 4.340 -0.001 0.000 0.218 776 R C 2.253 178.492 176.300 -0.101 0.000 1.072 776 R CA 0.739 56.776 56.100 -0.104 0.000 0.990 776 R CB -0.141 30.115 30.300 -0.074 0.000 0.889 776 R HN 0.350 nan 8.270 nan 0.000 0.452 777 L N 0.997 122.174 121.223 -0.076 0.000 1.976 777 L HA -0.195 4.145 4.340 -0.001 0.000 0.209 777 L C 2.129 178.936 176.870 -0.105 0.000 1.071 777 L CA 1.401 56.201 54.840 -0.067 0.000 0.746 777 L CB -0.249 41.792 42.059 -0.030 0.000 0.890 777 L HN 0.178 nan 8.230 nan 0.000 0.432 778 L N -0.569 120.577 121.223 -0.129 0.000 1.990 778 L HA -0.214 4.126 4.340 -0.001 0.000 0.213 778 L C 2.659 179.398 176.870 -0.219 0.000 1.072 778 L CA 1.596 56.335 54.840 -0.169 0.000 0.755 778 L CB -1.643 40.272 42.059 -0.240 0.000 0.889 778 L HN 0.413 nan 8.230 nan 0.000 0.432 779 G N -0.382 108.265 108.800 -0.255 0.000 2.469 779 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.219 779 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.219 779 G C 1.749 176.525 174.900 -0.205 0.000 1.150 779 G CA 1.071 46.016 45.100 -0.259 0.000 0.763 779 G HN 0.509 nan 8.290 nan 0.000 0.561 780 A N 0.871 123.586 122.820 -0.175 0.000 1.873 780 A HA 0.070 4.390 4.320 -0.001 0.000 0.215 780 A C 2.411 179.855 177.584 -0.233 0.000 1.186 780 A CA 1.299 53.230 52.037 -0.177 0.000 0.616 780 A CB -0.360 18.555 19.000 -0.142 0.000 0.823 780 A HN 0.367 nan 8.150 nan 0.000 0.442 781 I N -0.226 120.219 120.570 -0.209 0.000 2.151 781 I HA -0.314 3.856 4.170 -0.001 0.000 0.243 781 I C 2.621 178.586 176.117 -0.254 0.000 1.080 781 I CA 1.889 63.045 61.300 -0.240 0.000 1.339 781 I CB -0.499 37.454 38.000 -0.078 0.000 1.039 781 I HN 0.367 nan 8.210 nan 0.000 0.409 782 K N 1.539 121.827 120.400 -0.187 0.000 1.977 782 K HA -0.231 4.089 4.320 -0.001 0.000 0.218 782 K C 2.093 178.494 176.600 -0.330 0.000 1.051 782 K CA 2.942 59.109 56.287 -0.200 0.000 0.953 782 K CB -0.784 31.612 32.500 -0.173 0.000 0.727 782 K HN 0.423 nan 8.250 nan 0.000 0.445 783 T N 0.875 115.254 114.554 -0.291 0.000 2.778 783 T HA -0.175 4.175 4.350 -0.001 0.000 0.269 783 T C 1.991 176.543 174.700 -0.248 0.000 1.050 783 T CA 1.120 63.060 62.100 -0.266 0.000 1.137 783 T CB -0.199 68.553 68.868 -0.194 0.000 0.860 783 T HN 0.214 nan 8.240 nan 0.000 0.468 784 Q N 1.600 121.214 119.800 -0.310 0.000 2.002 784 Q HA -0.061 4.279 4.340 -0.001 0.000 0.204 784 Q C 2.428 178.335 176.000 -0.155 0.000 0.988 784 Q CA 1.732 57.322 55.803 -0.355 0.000 0.843 784 Q CB -0.345 27.869 28.738 -0.873 0.000 0.908 784 Q HN 0.626 nan 8.270 nan 0.000 0.420 785 K N 0.606 120.936 120.400 -0.117 0.000 2.009 785 K HA -0.188 4.132 4.320 -0.001 0.000 0.210 785 K C 2.156 178.829 176.600 0.121 0.000 1.049 785 K CA 1.486 57.904 56.287 0.218 0.000 0.929 785 K CB -0.215 32.462 32.500 0.295 0.000 0.714 785 K HN 0.071 nan 8.250 nan 0.000 0.440 786 K N 1.431 121.699 120.400 -0.221 0.000 2.074 786 K HA -0.238 4.082 4.320 -0.001 0.000 0.209 786 K C 1.790 178.359 176.600 -0.052 0.000 1.048 786 K CA 1.873 58.008 56.287 -0.253 0.000 0.926 786 K CB 0.067 32.259 32.500 -0.514 0.000 0.713 786 K HN 0.202 nan 8.250 nan 0.000 0.444 787 E N -0.218 119.945 120.200 -0.060 0.000 2.072 787 E HA -0.111 4.238 4.350 -0.001 0.000 0.190 787 E C 1.729 178.328 176.600 -0.003 0.000 0.982 787 E CA 0.804 57.188 56.400 -0.028 0.000 0.803 787 E CB 0.100 29.776 29.700 -0.039 0.000 0.755 787 E HN 0.262 nan 8.360 nan 0.000 0.453 788 R N -0.108 120.415 120.500 0.038 0.000 2.319 788 R HA 0.085 4.425 4.340 -0.001 0.000 0.204 788 R C 0.941 177.104 176.300 -0.227 0.000 0.954 788 R CA 0.468 56.547 56.100 -0.036 0.000 1.066 788 R CB 0.339 30.734 30.300 0.159 0.000 0.991 788 R HN 0.244 nan 8.270 nan 0.000 0.486 789 G N 0.648 109.411 108.800 -0.062 0.000 2.155 789 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.257 789 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.257 789 G C -0.279 174.609 174.900 -0.019 0.000 0.983 789 G CA -0.042 45.030 45.100 -0.048 0.000 0.676 789 G HN 0.376 nan 8.290 nan 0.000 0.528 790 Y N 1.454 121.852 120.300 0.163 0.000 2.517 790 Y HA 0.308 4.857 4.550 -0.001 0.000 0.341 790 Y C 1.657 177.688 175.900 0.220 0.000 1.247 790 Y CA 0.088 58.298 58.100 0.183 0.000 1.774 790 Y CB 0.260 38.855 38.460 0.224 0.000 1.641 790 Y HN 0.242 nan 8.280 nan 0.000 0.457 791 E N 0.451 120.802 120.200 0.252 0.000 2.110 791 E HA -0.047 4.303 4.350 -0.001 0.000 0.193 791 E C 1.526 178.155 176.600 0.049 0.000 0.950 791 E CA 1.203 57.683 56.400 0.132 0.000 0.840 791 E CB -0.059 29.683 29.700 0.071 0.000 0.809 791 E HN 0.533 nan 8.360 nan 0.000 0.465 792 T N -0.386 114.216 114.554 0.080 0.000 3.366 792 T HA 0.230 4.580 4.350 -0.001 0.000 0.249 792 T C 0.724 175.468 174.700 0.073 0.000 1.028 792 T CA -0.154 61.978 62.100 0.053 0.000 0.938 792 T CB -0.021 68.879 68.868 0.053 0.000 1.046 792 T HN -0.174 nan 8.240 nan 0.000 0.587 793 R N 1.748 122.308 120.500 0.101 0.000 2.721 793 R HA 0.322 4.662 4.340 -0.001 0.000 0.272 793 R C -3.301 173.061 176.300 0.103 0.000 1.721 793 R CA -1.536 54.620 56.100 0.094 0.000 1.325 793 R CB 1.291 31.655 30.300 0.107 0.000 1.271 793 R HN 0.211 nan 8.270 nan 0.000 0.556 794 P HA 0.151 nan 4.420 nan 0.000 0.272 794 P C -1.086 176.265 177.300 0.085 0.000 1.223 794 P CA -0.229 62.937 63.100 0.111 0.000 0.784 794 P CB 1.024 32.792 31.700 0.113 0.000 0.923 795 A N 1.865 124.758 122.820 0.122 0.000 2.271 795 A HA 0.314 4.633 4.320 -0.001 0.000 0.317 795 A C -0.191 177.428 177.584 0.058 0.000 1.245 795 A CA -0.556 51.524 52.037 0.071 0.000 0.857 795 A CB 0.227 19.300 19.000 0.121 0.000 1.175 795 A HN 0.541 nan 8.150 nan 0.000 0.512 796 Q N 2.270 122.034 119.800 -0.059 0.000 2.288 796 Q HA 0.464 4.804 4.340 -0.001 0.000 0.258 796 Q C -1.299 174.719 176.000 0.031 0.000 0.957 796 Q CA -0.189 55.588 55.803 -0.043 0.000 0.919 796 Q CB 0.851 29.481 28.738 -0.180 0.000 1.185 796 Q HN 0.517 nan 8.270 nan 0.000 0.408 797 V N 6.409 126.362 119.914 0.065 0.000 2.313 797 V HA 0.206 4.326 4.120 -0.001 0.000 0.278 797 V C 0.105 176.224 176.094 0.043 0.000 1.017 797 V CA -0.696 61.644 62.300 0.067 0.000 0.823 797 V CB 1.114 32.975 31.823 0.064 0.000 1.010 797 V HN 0.729 nan 8.190 nan 0.000 0.443 798 I N 5.416 126.034 120.570 0.080 0.000 2.382 798 I HA 0.099 4.269 4.170 -0.001 0.000 0.297 798 I C 0.467 176.583 176.117 -0.002 0.000 1.172 798 I CA -0.038 61.307 61.300 0.074 0.000 1.825 798 I CB -0.295 37.816 38.000 0.184 0.000 1.509 798 I HN 0.393 nan 8.210 nan 0.000 0.842 799 L N 7.115 128.275 121.223 -0.105 0.000 2.654 799 L HA 0.048 4.388 4.340 -0.001 0.000 0.271 799 L C -1.859 174.843 176.870 -0.280 0.000 1.169 799 L CA -0.664 54.049 54.840 -0.213 0.000 0.947 799 L CB -0.016 41.866 42.059 -0.295 0.000 1.232 799 L HN 0.176 nan 8.230 nan 0.000 0.486 800 P HA 0.226 nan 4.420 nan 0.000 0.260 800 P C -0.276 176.827 177.300 -0.328 0.000 1.651 800 P CA -0.134 62.692 63.100 -0.457 0.000 1.139 800 P CB 0.270 31.468 31.700 -0.837 0.000 1.756 801 L N 0.477 121.524 121.223 -0.293 0.000 2.488 801 L HA 0.642 4.982 4.340 -0.001 0.000 0.249 801 L C 0.892 177.642 176.870 -0.201 0.000 1.151 801 L CA -0.574 54.116 54.840 -0.249 0.000 0.806 801 L CB 0.408 42.297 42.059 -0.285 0.000 1.261 801 L HN 0.169 nan 8.230 nan 0.000 0.484 802 S N -1.549 114.045 115.700 -0.176 0.000 2.570 802 S HA 0.537 5.007 4.470 -0.001 0.000 0.286 802 S C -2.256 172.178 174.600 -0.276 0.000 1.099 802 S CA -1.268 56.813 58.200 -0.198 0.000 0.913 802 S CB 1.873 64.931 63.200 -0.237 0.000 1.085 802 S HN 0.329 nan 8.310 nan 0.000 0.480 803 P HA 0.183 nan 4.420 nan 0.000 0.227 803 P C -0.493 176.606 177.300 -0.336 0.000 1.161 803 P CA 0.495 63.485 63.100 -0.182 0.000 0.788 803 P CB 0.064 31.750 31.700 -0.023 0.000 0.822 804 N N 0.627 119.129 118.700 -0.330 0.000 2.936 804 N HA 0.084 4.823 4.740 -0.001 0.000 0.243 804 N C -0.480 174.916 175.510 -0.189 0.000 1.149 804 N CA -0.210 52.755 53.050 -0.142 0.000 0.914 804 N CB -0.065 38.523 38.487 0.168 0.000 1.179 804 N HN 0.230 nan 8.380 nan 0.000 0.502 805 H N 0.665 119.758 119.070 0.039 0.000 2.970 805 H HA 0.187 4.743 4.556 -0.001 0.000 0.226 805 H C 1.243 176.586 175.328 0.025 0.000 1.909 805 H CA 0.007 56.054 56.048 -0.002 0.000 1.388 805 H CB -0.284 29.477 29.762 -0.002 0.000 1.773 805 H HN 0.752 nan 8.280 nan 0.000 0.559 806 G N 2.100 110.972 108.800 0.120 0.000 2.137 806 G HA2 -0.376 3.584 3.960 -0.001 0.000 0.237 806 G HA3 -0.376 3.584 3.960 -0.001 0.000 0.237 806 G C 1.332 176.290 174.900 0.096 0.000 1.002 806 G CA 0.696 45.861 45.100 0.109 0.000 0.702 806 G HN 0.600 nan 8.290 nan 0.000 0.515 807 T N -2.735 111.885 114.554 0.110 0.000 2.942 807 T HA 0.385 4.735 4.350 -0.001 0.000 0.265 807 T C 1.063 175.710 174.700 -0.088 0.000 1.062 807 T CA 0.727 62.834 62.100 0.011 0.000 1.139 807 T CB 0.065 68.933 68.868 -0.001 0.000 0.883 807 T HN 0.284 nan 8.240 nan 0.000 0.468 808 F N 1.630 121.583 119.950 0.004 0.000 2.378 808 F HA 0.659 5.185 4.527 -0.001 0.000 0.325 808 F C 1.302 177.107 175.800 0.007 0.000 1.097 808 F CA -0.792 57.207 58.000 -0.002 0.000 1.079 808 F CB 0.921 39.912 39.000 -0.016 0.000 1.240 808 F HN 0.197 nan 8.300 nan 0.000 0.519 809 G N 0.407 109.318 108.800 0.184 0.000 2.477 809 G HA2 0.351 4.311 3.960 -0.001 0.000 0.304 809 G HA3 0.351 4.311 3.960 -0.001 0.000 0.304 809 G C -0.261 174.702 174.900 0.104 0.000 1.175 809 G CA -0.602 44.563 45.100 0.108 0.000 0.907 809 G HN 0.743 nan 8.290 nan 0.000 0.509 810 N N -0.573 118.167 118.700 0.068 0.000 2.909 810 N HA -0.168 4.571 4.740 -0.001 0.000 0.242 810 N C 0.784 176.322 175.510 0.046 0.000 0.975 810 N CA 1.311 54.389 53.050 0.046 0.000 0.921 810 N CB -0.849 37.656 38.487 0.030 0.000 1.112 810 N HN 0.608 nan 8.380 nan 0.000 0.581 811 D N 0.508 120.959 120.400 0.084 0.000 2.149 811 D HA -0.010 4.629 4.640 -0.001 0.000 0.194 811 D C 1.471 177.828 176.300 0.096 0.000 1.001 811 D CA 2.001 56.076 54.000 0.124 0.000 0.849 811 D CB -0.676 40.242 40.800 0.196 0.000 0.939 811 D HN 0.646 nan 8.370 nan 0.000 0.449 812 G N 1.032 109.870 108.800 0.065 0.000 2.342 812 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.267 812 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.267 812 G C 0.547 175.475 174.900 0.048 0.000 0.922 812 G CA 0.167 45.292 45.100 0.043 0.000 1.342 812 G HN 0.367 nan 8.290 nan 0.000 0.430 813 L N -1.416 119.816 121.223 0.013 0.000 5.051 813 L HA -0.281 4.059 4.340 -0.001 0.000 0.432 813 L C 1.802 178.661 176.870 -0.018 0.000 1.055 813 L CA 2.579 57.385 54.840 -0.056 0.000 1.095 813 L CB -2.025 40.011 42.059 -0.038 0.000 1.957 813 L HN 0.894 nan 8.230 nan 0.000 0.727 814 Y N 1.519 121.776 120.300 -0.071 0.000 2.117 814 Y HA -0.178 4.371 4.550 -0.001 0.000 0.277 814 Y C 2.467 178.333 175.900 -0.056 0.000 1.104 814 Y CA 2.379 60.444 58.100 -0.057 0.000 1.089 814 Y CB -0.736 37.693 38.460 -0.053 0.000 0.999 814 Y HN 0.320 nan 8.280 nan 0.000 0.480 815 S N 0.492 116.020 115.700 -0.286 0.000 2.381 815 S HA -0.321 4.149 4.470 -0.001 0.000 0.230 815 S C 1.690 176.163 174.600 -0.212 0.000 1.052 815 S CA 1.820 59.823 58.200 -0.329 0.000 1.068 815 S CB -0.843 62.311 63.200 -0.078 0.000 0.918 815 S HN 0.546 nan 8.310 nan 0.000 0.448 816 E N 1.802 121.902 120.200 -0.168 0.000 2.130 816 E HA -0.083 4.266 4.350 -0.001 0.000 0.196 816 E C 2.409 178.900 176.600 -0.182 0.000 0.998 816 E CA 1.500 57.794 56.400 -0.177 0.000 0.806 816 E CB -0.528 29.023 29.700 -0.249 0.000 0.738 816 E HN 0.685 nan 8.360 nan 0.000 0.459 817 S N 0.484 116.064 115.700 -0.201 0.000 2.345 817 S HA -0.077 4.393 4.470 -0.001 0.000 0.219 817 S C 1.716 176.271 174.600 -0.074 0.000 1.031 817 S CA 0.787 58.979 58.200 -0.015 0.000 0.984 817 S CB -0.125 63.147 63.200 0.120 0.000 0.874 817 S HN 0.076 nan 8.310 nan 0.000 0.451 818 K N 1.241 121.517 120.400 -0.206 0.000 2.097 818 K HA 0.048 4.368 4.320 -0.001 0.000 0.206 818 K C 2.098 178.634 176.600 -0.106 0.000 1.049 818 K CA 0.710 56.867 56.287 -0.216 0.000 0.933 818 K CB -0.820 31.435 32.500 -0.409 0.000 0.717 818 K HN 0.301 nan 8.250 nan 0.000 0.442 819 L N 0.870 122.057 121.223 -0.059 0.000 2.027 819 L HA -0.036 4.304 4.340 -0.001 0.000 0.206 819 L C 2.178 179.006 176.870 -0.069 0.000 1.074 819 L CA 1.807 56.606 54.840 -0.067 0.000 0.745 819 L CB -0.679 41.304 42.059 -0.126 0.000 0.898 819 L HN 0.120 nan 8.230 nan 0.000 0.433 820 A N -0.384 122.409 122.820 -0.045 0.000 1.978 820 A HA -0.201 4.119 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 1.934 53.965 52.037 -0.010 0.000 0.636 820 A CB -1.008 18.017 19.000 0.040 0.000 0.810 820 A HN 0.522 nan 8.150 nan 0.000 0.448 821 L N -0.484 120.696 121.223 -0.073 0.000 2.081 821 L HA -0.248 4.091 4.340 -0.001 0.000 0.212 821 L C 2.346 179.104 176.870 -0.186 0.000 1.080 821 L CA 1.727 56.490 54.840 -0.129 0.000 0.754 821 L CB -0.564 41.389 42.059 -0.177 0.000 0.893 821 L HN 0.520 nan 8.230 nan 0.000 0.433 822 E N -0.785 119.314 120.200 -0.169 0.000 2.472 822 E HA -0.152 4.197 4.350 -0.001 0.000 0.200 822 E C 1.900 178.507 176.600 0.012 0.000 1.046 822 E CA 1.297 57.578 56.400 -0.198 0.000 0.871 822 E CB -0.060 29.643 29.700 0.006 0.000 0.806 822 E HN 0.629 nan 8.360 nan 0.000 0.533 823 T N -0.819 113.760 114.554 0.043 0.000 3.007 823 T HA -0.067 4.282 4.350 -0.001 0.000 0.270 823 T C 1.909 176.713 174.700 0.173 0.000 1.107 823 T CA 0.370 62.550 62.100 0.134 0.000 1.118 823 T CB -0.187 68.744 68.868 0.105 0.000 0.889 823 T HN 0.091 nan 8.240 nan 0.000 0.506 824 L N -0.513 120.760 121.223 0.084 0.000 2.083 824 L HA 0.054 4.394 4.340 -0.001 0.000 0.209 824 L C 2.468 179.501 176.870 0.271 0.000 1.083 824 L CA 1.398 56.351 54.840 0.188 0.000 0.752 824 L CB -0.685 41.402 42.059 0.047 0.000 0.899 824 L HN 0.217 nan 8.230 nan 0.000 0.433 825 F N 0.336 120.396 119.950 0.185 0.000 2.115 825 F HA -0.350 4.177 4.527 -0.001 0.000 0.300 825 F C 2.170 178.081 175.800 0.185 0.000 1.092 825 F CA 1.609 59.721 58.000 0.187 0.000 1.245 825 F CB -0.246 38.945 39.000 0.317 0.000 0.995 825 F HN 0.258 nan 8.300 nan 0.000 0.481 826 N N -0.605 118.362 118.700 0.444 0.000 2.336 826 N HA -0.001 4.739 4.740 -0.001 0.000 0.177 826 N C 1.528 177.206 175.510 0.279 0.000 1.018 826 N CA 0.390 53.672 53.050 0.386 0.000 0.878 826 N CB -0.198 38.490 38.487 0.334 0.000 0.997 826 N HN 0.025 nan 8.380 nan 0.000 0.433 827 R N -0.518 120.144 120.500 0.270 0.000 2.139 827 R HA -0.179 4.161 4.340 -0.001 0.000 0.243 827 R C 1.594 177.831 176.300 -0.105 0.000 1.145 827 R CA 1.272 57.522 56.100 0.250 0.000 0.976 827 R CB -0.368 30.254 30.300 0.537 0.000 0.866 827 R HN 0.399 nan 8.270 nan 0.000 0.449 828 W N 0.411 121.439 121.300 -0.454 0.000 2.325 828 W HA -0.264 4.396 4.660 -0.001 0.000 0.299 828 W C 1.313 177.420 176.519 -0.686 0.000 1.215 828 W CA 1.628 58.390 57.345 -0.972 0.000 1.244 828 W CB -0.217 28.816 29.460 -0.711 0.000 1.140 828 W HN 0.128 nan 8.180 nan 0.000 0.523 829 Y N -0.684 119.637 120.300 0.035 0.000 2.269 829 Y HA -0.160 4.390 4.550 -0.001 0.000 0.294 829 Y C 2.898 178.725 175.900 -0.122 0.000 1.120 829 Y CA 1.202 59.311 58.100 0.014 0.000 1.159 829 Y CB -0.736 37.805 38.460 0.135 0.000 1.024 829 Y HN -0.085 nan 8.280 nan 0.000 0.532 830 S N -0.423 115.317 115.700 0.068 0.000 2.371 830 S HA -0.027 4.442 4.470 -0.001 0.000 0.221 830 S C 0.680 175.259 174.600 -0.034 0.000 1.036 830 S CA 0.154 58.377 58.200 0.038 0.000 0.965 830 S CB -0.369 62.885 63.200 0.090 0.000 0.845 830 S HN 0.298 nan 8.310 nan 0.000 0.475 831 E N 1.380 121.526 120.200 -0.089 0.000 2.385 831 E HA 0.347 4.697 4.350 -0.001 0.000 0.254 831 E C 0.391 176.861 176.600 -0.217 0.000 1.228 831 E CA 0.194 56.568 56.400 -0.043 0.000 0.956 831 E CB 0.559 30.417 29.700 0.263 0.000 1.116 831 E HN 0.448 nan 8.360 nan 0.000 0.507 832 S N 0.569 116.259 115.700 -0.018 0.000 2.573 832 S HA 0.057 4.527 4.470 -0.001 0.000 0.244 832 S C 0.243 174.900 174.600 0.095 0.000 0.984 832 S CA -0.742 57.447 58.200 -0.017 0.000 1.001 832 S CB -0.161 63.078 63.200 0.065 0.000 0.788 832 S HN 0.657 nan 8.310 nan 0.000 0.456 833 W N -0.093 121.172 121.300 -0.058 0.000 3.123 833 W HA 0.515 5.175 4.660 -0.000 0.000 0.383 833 W C 0.961 177.367 176.519 -0.188 0.000 1.102 833 W CA -0.481 56.888 57.345 0.040 0.000 1.865 833 W CB -1.131 28.339 29.460 0.017 0.000 1.111 833 W HN 0.287 nan 8.180 nan 0.000 0.621 834 G N 3.119 111.447 108.800 -0.785 0.000 2.556 834 G HA2 -0.409 3.550 3.960 -0.001 0.000 0.220 834 G HA3 -0.409 3.550 3.960 -0.001 0.000 0.220 834 G C 1.485 175.995 174.900 -0.649 0.000 1.156 834 G CA 1.694 45.977 45.100 -1.361 0.000 0.766 834 G HN 0.158 nan 8.290 nan 0.000 0.583 835 N N -0.047 118.386 118.700 -0.446 0.000 2.142 835 N HA -0.052 4.688 4.740 -0.001 0.000 0.186 835 N C 1.938 177.262 175.510 -0.310 0.000 1.023 835 N CA 1.247 54.034 53.050 -0.439 0.000 0.852 835 N CB -0.394 37.632 38.487 -0.769 0.000 0.998 835 N HN 0.551 nan 8.380 nan 0.000 0.424 836 Y N -0.285 120.069 120.300 0.089 0.000 2.347 836 Y HA 0.218 4.768 4.550 -0.001 0.000 0.294 836 Y C 0.398 176.410 175.900 0.188 0.000 1.117 836 Y CA -0.042 58.141 58.100 0.137 0.000 1.184 836 Y CB 0.175 38.711 38.460 0.126 0.000 1.047 836 Y HN -0.098 nan 8.280 nan 0.000 0.546 837 L N 0.364 121.852 121.223 0.441 0.000 2.346 837 L HA 0.465 4.804 4.340 -0.001 0.000 0.274 837 L C 0.047 177.279 176.870 0.604 0.000 1.007 837 L CA -0.910 54.208 54.840 0.464 0.000 0.818 837 L CB 1.682 44.060 42.059 0.530 0.000 1.284 837 L HN 0.072 nan 8.230 nan 0.000 0.424 838 T N 0.644 115.486 114.554 0.479 0.000 2.887 838 T HA 0.796 5.145 4.350 -0.001 0.000 0.288 838 T C -0.269 174.579 174.700 0.246 0.000 1.021 838 T CA -0.628 61.751 62.100 0.464 0.000 1.000 838 T CB 1.329 70.324 68.868 0.211 0.000 1.034 838 T HN 0.306 nan 8.240 nan 0.000 0.467 839 I N 1.728 122.337 120.570 0.065 0.000 2.378 839 I HA 0.429 4.598 4.170 -0.001 0.000 0.291 839 I C -0.156 175.951 176.117 -0.018 0.000 0.992 839 I CA -0.911 60.422 61.300 0.055 0.000 1.154 839 I CB 1.691 39.752 38.000 0.101 0.000 1.315 839 I HN 0.835 nan 8.210 nan 0.000 0.448 840 C N 6.143 125.431 119.300 -0.020 0.000 2.816 840 C HA 0.565 5.025 4.460 -0.001 0.000 0.255 840 C C 0.851 175.789 174.990 -0.088 0.000 1.141 840 C CA -0.537 58.464 59.018 -0.029 0.000 1.554 840 C CB -0.894 26.831 27.740 -0.025 0.000 1.778 840 C HN 0.959 nan 8.230 nan 0.000 0.429 841 G N 3.759 112.508 108.800 -0.084 0.000 2.298 841 G HA2 0.461 4.421 3.960 -0.001 0.000 0.263 841 G HA3 0.461 4.421 3.960 -0.001 0.000 0.263 841 G C 0.230 174.942 174.900 -0.313 0.000 1.229 841 G CA 0.404 45.336 45.100 -0.280 0.000 0.976 841 G HN 1.491 nan 8.290 nan 0.000 0.459 842 A N 3.312 125.957 122.820 -0.292 0.000 2.536 842 A HA 0.476 4.796 4.320 -0.001 0.000 0.329 842 A C 0.058 177.495 177.584 -0.245 0.000 1.321 842 A CA -0.591 51.303 52.037 -0.238 0.000 0.804 842 A CB 1.238 20.163 19.000 -0.125 0.000 1.126 842 A HN 1.508 nan 8.150 nan 0.000 0.480 843 V N 5.810 125.555 119.914 -0.282 0.000 2.359 843 V HA 0.252 4.372 4.120 -0.001 0.000 0.248 843 V C 0.151 176.167 176.094 -0.131 0.000 1.091 843 V CA -0.046 62.132 62.300 -0.203 0.000 1.103 843 V CB -1.100 30.629 31.823 -0.156 0.000 1.176 843 V HN 0.567 nan 8.190 nan 0.000 0.488 844 I N 6.907 127.405 120.570 -0.120 0.000 2.710 844 I HA 0.320 4.490 4.170 -0.001 0.000 0.286 844 I C 1.314 177.389 176.117 -0.070 0.000 1.181 844 I CA 1.048 62.293 61.300 -0.091 0.000 1.430 844 I CB 0.363 38.340 38.000 -0.037 0.000 1.367 844 I HN 0.660 nan 8.210 nan 0.000 0.577 845 G N 5.143 113.884 108.800 -0.099 0.000 2.613 845 G HA2 0.160 4.119 3.960 -0.001 0.000 0.303 845 G HA3 0.160 4.119 3.960 -0.001 0.000 0.303 845 G C -1.142 173.844 174.900 0.143 0.000 1.312 845 G CA -0.564 44.552 45.100 0.026 0.000 1.036 845 G HN 0.655 nan 8.290 nan 0.000 0.513 846 W N 1.733 123.078 121.300 0.076 0.000 2.611 846 W HA 0.210 4.870 4.660 -0.000 0.000 0.346 846 W C -0.626 175.991 176.519 0.162 0.000 1.365 846 W CA 0.109 57.517 57.345 0.105 0.000 1.313 846 W CB -0.687 28.860 29.460 0.145 0.000 1.351 846 W HN 0.160 nan 8.180 nan 0.000 0.576 847 T N 8.126 122.980 114.554 0.500 0.000 3.064 847 T HA 0.242 4.591 4.350 -0.001 0.000 0.367 847 T C 0.178 175.080 174.700 0.337 0.000 1.202 847 T CA -0.767 61.564 62.100 0.384 0.000 1.133 847 T CB 0.234 69.226 68.868 0.207 0.000 1.074 847 T HN 0.325 nan 8.240 nan 0.000 0.519 848 R N 1.261 122.000 120.500 0.399 0.000 2.583 848 R HA 0.424 4.763 4.340 -0.001 0.000 0.274 848 R C 0.354 176.762 176.300 0.181 0.000 0.998 848 R CA -0.513 55.752 56.100 0.276 0.000 1.081 848 R CB 0.107 30.556 30.300 0.248 0.000 0.940 848 R HN 0.530 nan 8.270 nan 0.000 0.413 849 G N 1.743 110.613 108.800 0.118 0.000 2.557 849 G HA2 0.301 4.261 3.960 -0.001 0.000 0.310 849 G HA3 0.301 4.261 3.960 -0.001 0.000 0.310 849 G C -0.239 174.709 174.900 0.080 0.000 1.328 849 G CA -0.810 44.343 45.100 0.088 0.000 0.945 849 G HN 0.696 nan 8.290 nan 0.000 0.494 850 T N 0.016 114.622 114.554 0.087 0.000 2.867 850 T HA 0.378 4.728 4.350 -0.001 0.000 0.297 850 T C 1.704 176.435 174.700 0.053 0.000 0.989 850 T CA 0.836 62.987 62.100 0.085 0.000 1.159 850 T CB 1.006 69.916 68.868 0.069 0.000 0.928 850 T HN 2.148 nan 8.240 nan 0.000 0.538 851 G N 2.861 111.696 108.800 0.058 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 0.470 175.379 174.900 0.015 0.000 0.977 851 G CA 0.812 45.933 45.100 0.034 0.000 0.639 851 G HN 0.764 nan 8.290 nan 0.000 0.544 852 L N -0.746 120.485 121.223 0.012 0.000 2.077 852 L HA 0.422 4.762 4.340 -0.001 0.000 0.225 852 L C 1.644 178.505 176.870 -0.016 0.000 1.117 852 L CA 0.466 55.302 54.840 -0.007 0.000 2.064 852 L CB -0.211 41.843 42.059 -0.008 0.000 1.738 852 L HN 0.134 nan 8.230 nan 0.000 0.927 853 M N 0.090 119.673 119.600 -0.028 0.000 2.205 853 M HA 0.163 4.643 4.480 -0.001 0.000 0.344 853 M C 0.749 177.016 176.300 -0.055 0.000 1.085 853 M CA -0.073 55.201 55.300 -0.043 0.000 1.001 853 M CB 1.304 33.867 32.600 -0.063 0.000 1.626 853 M HN 0.396 nan 8.290 nan 0.000 0.442 854 S N 1.030 116.695 115.700 -0.057 0.000 2.558 854 S HA 0.088 4.558 4.470 -0.001 0.000 0.217 854 S C 1.633 176.174 174.600 -0.098 0.000 0.975 854 S CA 0.364 58.504 58.200 -0.099 0.000 0.912 854 S CB -0.262 62.904 63.200 -0.058 0.000 0.776 854 S HN 0.747 nan 8.310 nan 0.000 0.526 855 A N 3.787 126.569 122.820 -0.064 0.000 1.933 855 A HA -0.123 4.196 4.320 -0.001 0.000 0.218 855 A C 1.892 179.457 177.584 -0.031 0.000 1.175 855 A CA 1.509 53.519 52.037 -0.045 0.000 0.628 855 A CB -0.607 18.363 19.000 -0.049 0.000 0.814 855 A HN 0.650 nan 8.150 nan 0.000 0.444 856 N N -0.116 118.555 118.700 -0.048 0.000 2.398 856 N HA -0.017 4.723 4.740 -0.001 0.000 0.188 856 N C 0.278 175.906 175.510 0.198 0.000 1.122 856 N CA 0.612 53.665 53.050 0.006 0.000 0.866 856 N CB -0.145 38.266 38.487 -0.126 0.000 0.970 856 N HN 0.450 nan 8.380 nan 0.000 0.462 857 N N 0.239 118.918 118.700 -0.035 0.000 2.397 857 N HA 0.230 4.969 4.740 -0.001 0.000 0.190 857 N C 1.653 176.963 175.510 -0.333 0.000 1.099 857 N CA -0.046 52.821 53.050 -0.306 0.000 0.876 857 N CB 0.257 38.266 38.487 -0.797 0.000 1.143 857 N HN 0.084 nan 8.380 nan 0.000 0.468 858 L N 0.079 121.207 121.223 -0.159 0.000 2.141 858 L HA 0.005 4.344 4.340 -0.001 0.000 0.209 858 L C 1.413 178.315 176.870 0.054 0.000 1.094 858 L CA 0.929 55.748 54.840 -0.034 0.000 0.763 858 L CB -0.080 41.981 42.059 0.004 0.000 0.908 858 L HN -0.015 nan 8.230 nan 0.000 0.437 859 V N -0.708 119.269 119.914 0.105 0.000 3.590 859 V HA 0.085 4.205 4.120 -0.001 0.000 0.265 859 V C 2.447 178.630 176.094 0.147 0.000 1.239 859 V CA 0.848 63.244 62.300 0.159 0.000 1.117 859 V CB 0.279 32.236 31.823 0.222 0.000 0.818 859 V HN 0.350 nan 8.190 nan 0.000 0.451 860 A N 0.291 123.188 122.820 0.128 0.000 1.927 860 A HA -0.320 4.000 4.320 -0.001 0.000 0.220 860 A C 2.210 179.678 177.584 -0.192 0.000 1.185 860 A CA 2.436 54.387 52.037 -0.144 0.000 0.639 860 A CB -0.378 18.580 19.000 -0.070 0.000 0.820 860 A HN 0.612 nan 8.150 nan 0.000 0.451 861 E N -0.913 119.271 120.200 -0.027 0.000 2.028 861 E HA -0.110 4.239 4.350 -0.001 0.000 0.191 861 E C 2.185 178.763 176.600 -0.037 0.000 0.988 861 E CA 0.963 57.350 56.400 -0.021 0.000 0.799 861 E CB -0.453 29.275 29.700 0.047 0.000 0.755 861 E HN 0.519 nan 8.360 nan 0.000 0.447 862 G N 0.447 109.249 108.800 0.002 0.000 2.442 862 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.219 862 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.219 862 G C 1.608 176.510 174.900 0.004 0.000 1.141 862 G CA 1.100 46.211 45.100 0.017 0.000 0.763 862 G HN 0.245 nan 8.290 nan 0.000 0.554 863 V N 0.437 120.335 119.914 -0.028 0.000 2.548 863 V HA -0.096 4.023 4.120 -0.001 0.000 0.249 863 V C 2.511 178.554 176.094 -0.086 0.000 1.055 863 V CA 1.721 64.000 62.300 -0.035 0.000 1.065 863 V CB -0.377 31.394 31.823 -0.087 0.000 0.681 863 V HN 0.419 nan 8.190 nan 0.000 0.462 864 E N 0.212 120.319 120.200 -0.156 0.000 2.204 864 E HA -0.186 4.164 4.350 -0.001 0.000 0.194 864 E C 2.147 178.711 176.600 -0.060 0.000 0.989 864 E CA 0.707 57.022 56.400 -0.142 0.000 0.824 864 E CB -0.095 29.498 29.700 -0.180 0.000 0.756 864 E HN 0.563 nan 8.360 nan 0.000 0.477 865 K N 0.462 120.842 120.400 -0.034 0.000 2.360 865 K HA -0.053 4.267 4.320 -0.001 0.000 0.201 865 K C 1.600 178.211 176.600 0.018 0.000 1.046 865 K CA 0.522 56.806 56.287 -0.005 0.000 0.945 865 K CB 0.067 32.569 32.500 0.004 0.000 0.750 865 K HN 0.181 nan 8.250 nan 0.000 0.464 866 L N 0.246 121.486 121.223 0.029 0.000 2.645 866 L HA 0.077 4.417 4.340 -0.001 0.000 0.235 866 L C 0.739 177.655 176.870 0.077 0.000 1.150 866 L CA 0.295 55.169 54.840 0.057 0.000 0.911 866 L CB -0.428 41.677 42.059 0.077 0.000 1.077 866 L HN 0.358 nan 8.230 nan 0.000 0.438 867 G N 0.606 109.446 108.800 0.066 0.000 2.203 867 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.231 867 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.231 867 G C -0.397 174.616 174.900 0.187 0.000 1.058 867 G CA 0.230 45.394 45.100 0.107 0.000 0.781 867 G HN 0.202 nan 8.290 nan 0.000 0.496 868 V N -0.609 119.357 119.914 0.087 0.000 3.130 868 V HA 0.903 5.023 4.120 -0.001 0.000 0.310 868 V C -0.697 175.255 176.094 -0.237 0.000 1.158 868 V CA -1.360 60.971 62.300 0.051 0.000 1.029 868 V CB 2.060 33.973 31.823 0.150 0.000 1.057 868 V HN 0.311 nan 8.190 nan 0.000 0.436 869 R N 2.103 122.317 120.500 -0.476 0.000 2.514 869 R HA 0.618 4.958 4.340 -0.001 0.000 0.301 869 R C -0.518 175.530 176.300 -0.421 0.000 0.962 869 R CA -0.228 55.513 56.100 -0.598 0.000 0.882 869 R CB 1.778 31.476 30.300 -1.003 0.000 1.143 869 R HN 0.989 nan 8.270 nan 0.000 0.452 870 T N -0.536 113.746 114.554 -0.453 0.000 2.940 870 T HA 0.704 5.054 4.350 -0.001 0.000 0.288 870 T C -0.368 174.171 174.700 -0.268 0.000 1.033 870 T CA -0.522 61.415 62.100 -0.272 0.000 1.033 870 T CB 0.980 69.483 68.868 -0.609 0.000 1.079 870 T HN 0.214 nan 8.240 nan 0.000 0.496 871 F N 1.210 121.162 119.950 0.004 0.000 2.522 871 F HA 0.632 5.159 4.527 -0.001 0.000 0.324 871 F C 1.054 176.894 175.800 0.066 0.000 1.077 871 F CA -1.078 56.952 58.000 0.049 0.000 0.944 871 F CB 1.922 40.993 39.000 0.118 0.000 1.175 871 F HN 0.889 nan 8.300 nan 0.000 0.468 872 S N 1.347 117.169 115.700 0.203 0.000 2.624 872 S HA 0.176 4.646 4.470 -0.001 0.000 0.263 872 S C 0.808 175.528 174.600 0.200 0.000 1.287 872 S CA -0.554 57.746 58.200 0.166 0.000 0.990 872 S CB 0.995 64.252 63.200 0.095 0.000 0.950 872 S HN 0.735 nan 8.310 nan 0.000 0.561 873 Q N 0.930 120.824 119.800 0.157 0.000 2.002 873 Q HA -0.229 4.110 4.340 -0.001 0.000 0.204 873 Q C 2.462 178.552 176.000 0.149 0.000 0.988 873 Q CA 2.077 57.962 55.803 0.136 0.000 0.843 873 Q CB -0.508 28.285 28.738 0.093 0.000 0.908 873 Q HN 0.933 nan 8.270 nan 0.000 0.420 874 Q N 0.890 120.776 119.800 0.143 0.000 2.173 874 Q HA -0.234 4.106 4.340 -0.001 0.000 0.208 874 Q C 1.698 177.878 176.000 0.300 0.000 0.989 874 Q CA 1.611 57.517 55.803 0.172 0.000 0.872 874 Q CB -0.408 28.420 28.738 0.149 0.000 0.909 874 Q HN 0.485 nan 8.270 nan 0.000 0.420 875 E N 0.838 121.222 120.200 0.306 0.000 2.007 875 E HA -0.184 4.165 4.350 -0.001 0.000 0.194 875 E C 1.971 178.850 176.600 0.465 0.000 0.999 875 E CA 1.457 58.077 56.400 0.367 0.000 0.811 875 E CB -0.198 29.556 29.700 0.090 0.000 0.762 875 E HN 0.248 nan 8.360 nan 0.000 0.450 876 M N 1.000 120.805 119.600 0.343 0.000 2.346 876 M HA -0.114 4.366 4.480 -0.001 0.000 0.263 876 M C 1.817 178.226 176.300 0.181 0.000 1.064 876 M CA 1.339 56.758 55.300 0.198 0.000 1.083 876 M CB -0.081 32.561 32.600 0.070 0.000 1.399 876 M HN 0.108 nan 8.290 nan 0.000 0.435 877 A N -0.516 122.427 122.820 0.206 0.000 1.874 877 A HA -0.062 4.257 4.320 -0.001 0.000 0.214 877 A C 1.987 179.724 177.584 0.255 0.000 1.189 877 A CA 1.253 53.371 52.037 0.135 0.000 0.615 877 A CB -1.214 17.822 19.000 0.060 0.000 0.830 877 A HN 0.599 nan 8.150 nan 0.000 0.443 878 F N 2.342 122.452 119.950 0.266 0.000 2.063 878 F HA -0.300 4.226 4.527 -0.001 0.000 0.298 878 F C 1.827 177.872 175.800 0.408 0.000 1.109 878 F CA 2.270 60.528 58.000 0.430 0.000 1.212 878 F CB -0.838 38.466 39.000 0.506 0.000 0.973 878 F HN 0.266 nan 8.300 nan 0.000 0.480 879 N N 0.784 119.593 118.700 0.183 0.000 2.061 879 N HA -0.222 4.518 4.740 -0.001 0.000 0.193 879 N C 2.027 177.620 175.510 0.138 0.000 1.030 879 N CA 2.048 55.161 53.050 0.105 0.000 0.856 879 N CB -0.843 37.771 38.487 0.211 0.000 1.023 879 N HN 0.390 nan 8.380 nan 0.000 0.424 880 L N 0.155 121.454 121.223 0.127 0.000 2.017 880 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 880 L C 2.014 178.968 176.870 0.141 0.000 1.073 880 L CA 0.812 55.713 54.840 0.101 0.000 0.745 880 L CB -0.476 41.627 42.059 0.074 0.000 0.894 880 L HN 0.129 nan 8.230 nan 0.000 0.432 881 L N -0.354 120.976 121.223 0.178 0.000 2.261 881 L HA -0.161 4.179 4.340 -0.001 0.000 0.216 881 L C 2.583 179.659 176.870 0.344 0.000 1.114 881 L CA 1.100 56.118 54.840 0.297 0.000 0.777 881 L CB -1.130 41.166 42.059 0.395 0.000 0.910 881 L HN 0.322 nan 8.230 nan 0.000 0.440 882 G N 0.731 109.680 108.800 0.248 0.000 2.491 882 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.218 882 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.218 882 G C 1.454 176.550 174.900 0.327 0.000 1.180 882 G CA 0.869 46.150 45.100 0.302 0.000 0.774 882 G HN 0.398 nan 8.290 nan 0.000 0.562 883 L N 0.151 121.490 121.223 0.194 0.000 2.551 883 L HA 0.132 4.471 4.340 -0.001 0.000 0.228 883 L C 2.589 179.575 176.870 0.194 0.000 1.153 883 L CA 0.218 55.107 54.840 0.082 0.000 0.851 883 L CB -0.475 41.551 42.059 -0.054 0.000 0.959 883 L HN 0.192 nan 8.230 nan 0.000 0.451 884 M N 0.397 120.187 119.600 0.317 0.000 2.514 884 M HA 0.163 4.643 4.480 -0.001 0.000 0.258 884 M C 1.298 177.901 176.300 0.506 0.000 1.119 884 M CA 0.177 55.800 55.300 0.540 0.000 1.111 884 M CB -0.417 32.552 32.600 0.615 0.000 1.390 884 M HN 0.220 nan 8.290 nan 0.000 0.475 885 A N 2.008 125.020 122.820 0.320 0.000 2.520 885 A HA 0.140 4.459 4.320 -0.001 0.000 0.235 885 A C -1.405 176.275 177.584 0.160 0.000 1.065 885 A CA -0.847 51.302 52.037 0.186 0.000 0.764 885 A CB -0.446 18.643 19.000 0.149 0.000 1.002 885 A HN 0.120 nan 8.150 nan 0.000 0.502 886 P HA -0.225 nan 4.420 nan 0.000 0.216 886 P C 1.675 179.022 177.300 0.079 0.000 1.150 886 P CA 2.323 65.475 63.100 0.086 0.000 0.843 886 P CB 0.042 31.773 31.700 0.053 0.000 0.787 887 A N -0.288 122.582 122.820 0.083 0.000 1.852 887 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 887 A C 2.281 179.919 177.584 0.089 0.000 1.215 887 A CA 2.012 54.099 52.037 0.084 0.000 0.641 887 A CB -1.676 17.383 19.000 0.099 0.000 0.838 887 A HN 0.116 nan 8.150 nan 0.000 0.450 888 I N -0.523 120.113 120.570 0.110 0.000 2.315 888 I HA -0.198 3.972 4.170 -0.001 0.000 0.248 888 I C 2.366 178.517 176.117 0.057 0.000 1.117 888 I CA 0.921 62.275 61.300 0.089 0.000 1.404 888 I CB -0.208 37.848 38.000 0.094 0.000 1.071 888 I HN 0.179 nan 8.210 nan 0.000 0.419 889 V N 1.292 121.245 119.914 0.065 0.000 2.317 889 V HA -0.362 3.757 4.120 -0.001 0.000 0.251 889 V C 2.039 178.146 176.094 0.021 0.000 1.065 889 V CA 2.161 64.480 62.300 0.032 0.000 1.049 889 V CB -0.838 31.002 31.823 0.029 0.000 0.651 889 V HN 0.521 nan 8.190 nan 0.000 0.450 890 N N -0.208 118.513 118.700 0.034 0.000 2.331 890 N HA -0.046 4.694 4.740 -0.001 0.000 0.180 890 N C 1.801 177.327 175.510 0.026 0.000 1.019 890 N CA 1.099 54.169 53.050 0.033 0.000 0.881 890 N CB -0.080 38.431 38.487 0.039 0.000 0.972 890 N HN 0.433 nan 8.380 nan 0.000 0.435 891 L N 0.372 121.609 121.223 0.024 0.000 2.046 891 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 891 L C 2.530 179.378 176.870 -0.036 0.000 1.077 891 L CA 0.885 55.731 54.840 0.011 0.000 0.747 891 L CB -0.603 41.472 42.059 0.027 0.000 0.896 891 L HN 0.224 nan 8.230 nan 0.000 0.432 892 C N -0.269 119.000 119.300 -0.051 0.000 2.440 892 C HA -0.144 4.316 4.460 -0.001 0.000 0.278 892 C C 2.791 177.691 174.990 -0.149 0.000 1.295 892 C CA 0.614 59.553 59.018 -0.132 0.000 1.738 892 C CB -0.769 26.921 27.740 -0.083 0.000 1.987 892 C HN 0.530 nan 8.230 nan 0.000 0.492 893 Q N 0.624 120.416 119.800 -0.013 0.000 2.437 893 Q HA -0.114 4.225 4.340 -0.001 0.000 0.210 893 Q C 2.171 178.259 176.000 0.146 0.000 0.972 893 Q CA 1.744 57.605 55.803 0.096 0.000 0.903 893 Q CB -0.064 28.725 28.738 0.085 0.000 0.967 893 Q HN 0.886 nan 8.270 nan 0.000 0.486 894 S N -1.306 114.414 115.700 0.032 0.000 2.599 894 S HA 0.108 4.577 4.470 -0.001 0.000 0.236 894 S C 0.194 174.758 174.600 -0.059 0.000 1.077 894 S CA -0.256 57.993 58.200 0.082 0.000 0.906 894 S CB 0.697 63.939 63.200 0.070 0.000 0.804 894 S HN -0.000 nan 8.310 nan 0.000 0.497 895 D N 1.887 122.144 120.400 -0.237 0.000 2.966 895 D HA 0.469 5.109 4.640 -0.001 0.000 0.222 895 D C -3.167 172.913 176.300 -0.366 0.000 1.292 895 D CA -1.350 52.483 54.000 -0.280 0.000 0.907 895 D CB 2.052 42.851 40.800 -0.002 0.000 1.621 895 D HN -0.009 nan 8.370 nan 0.000 0.557 896 P HA -0.039 nan 4.420 nan 0.000 0.266 896 P C -0.475 176.821 177.300 -0.006 0.000 1.180 896 P CA -0.011 62.922 63.100 -0.279 0.000 0.765 896 P CB 0.681 32.307 31.700 -0.122 0.000 0.806 897 V N 4.112 124.044 119.914 0.029 0.000 2.495 897 V HA 0.392 4.512 4.120 -0.001 0.000 0.298 897 V C -0.305 175.783 176.094 -0.010 0.000 1.031 897 V CA -0.463 61.860 62.300 0.039 0.000 0.871 897 V CB 1.225 33.042 31.823 -0.011 0.000 0.988 897 V HN 0.399 nan 8.190 nan 0.000 0.432 898 F N 3.519 123.314 119.950 -0.259 0.000 2.422 898 F HA 0.755 5.282 4.527 -0.001 0.000 0.333 898 F C 0.295 175.954 175.800 -0.235 0.000 1.095 898 F CA -0.406 57.333 58.000 -0.435 0.000 1.038 898 F CB 1.482 39.945 39.000 -0.895 0.000 1.156 898 F HN 0.526 nan 8.300 nan 0.000 0.483 899 A N 4.934 127.723 122.820 -0.051 0.000 2.745 899 A HA 0.209 4.528 4.320 -0.001 0.000 0.301 899 A C -1.242 176.277 177.584 -0.108 0.000 1.188 899 A CA -0.657 51.313 52.037 -0.111 0.000 0.746 899 A CB 0.176 19.015 19.000 -0.268 0.000 1.207 899 A HN 0.653 nan 8.150 nan 0.000 0.432 900 D N 3.206 123.552 120.400 -0.090 0.000 2.357 900 D HA 0.089 4.728 4.640 -0.001 0.000 0.265 900 D C 0.198 176.398 176.300 -0.167 0.000 1.334 900 D CA 0.259 54.160 54.000 -0.166 0.000 0.984 900 D CB 0.349 40.863 40.800 -0.476 0.000 1.077 900 D HN 0.538 nan 8.370 nan 0.000 0.514 901 L N 3.324 124.490 121.223 -0.094 0.000 2.912 901 L HA 0.166 4.506 4.340 -0.001 0.000 0.240 901 L C 0.676 177.488 176.870 -0.096 0.000 1.262 901 L CA -0.481 54.314 54.840 -0.075 0.000 1.058 901 L CB -0.491 41.493 42.059 -0.124 0.000 1.383 901 L HN 0.156 nan 8.230 nan 0.000 0.512 902 N N 0.786 119.510 118.700 0.041 0.000 2.479 902 N HA 0.169 4.909 4.740 -0.001 0.000 0.285 902 N C 1.071 176.801 175.510 0.366 0.000 1.075 902 N CA -0.160 52.983 53.050 0.154 0.000 0.967 902 N CB 1.901 40.477 38.487 0.148 0.000 1.137 902 N HN 0.144 nan 8.380 nan 0.000 0.472 903 G N 1.314 110.428 108.800 0.524 0.000 3.229 903 G HA2 0.219 4.178 3.960 -0.001 0.000 0.214 903 G HA3 0.219 4.178 3.960 -0.001 0.000 0.214 903 G C 0.934 176.078 174.900 0.407 0.000 1.256 903 G CA 0.164 45.553 45.100 0.481 0.000 1.042 903 G HN 1.069 nan 8.290 nan 0.000 0.497 904 G N -0.665 108.486 108.800 0.585 0.000 2.143 904 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.248 904 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.248 904 G C 1.041 176.247 174.900 0.510 0.000 0.991 904 G CA 0.382 45.902 45.100 0.699 0.000 0.689 904 G HN 0.506 nan 8.290 nan 0.000 0.522 905 L N -0.119 121.317 121.223 0.356 0.000 2.633 905 L HA 0.003 4.343 4.340 -0.001 0.000 0.235 905 L C 2.705 179.685 176.870 0.185 0.000 1.163 905 L CA 1.562 56.578 54.840 0.294 0.000 0.859 905 L CB -0.140 42.112 42.059 0.321 0.000 0.973 905 L HN 0.380 nan 8.230 nan 0.000 0.451 906 Q N -0.912 118.912 119.800 0.040 0.000 2.226 906 Q HA -0.148 4.191 4.340 -0.001 0.000 0.204 906 Q C 1.486 177.347 176.000 -0.232 0.000 0.975 906 Q CA 1.566 57.261 55.803 -0.180 0.000 0.866 906 Q CB -0.260 28.229 28.738 -0.416 0.000 0.915 906 Q HN 0.429 nan 8.270 nan 0.000 0.440 907 F N 0.059 120.099 119.950 0.150 0.000 2.789 907 F HA 0.206 4.733 4.527 -0.001 0.000 0.300 907 F C 0.485 176.351 175.800 0.111 0.000 1.132 907 F CA -0.235 57.836 58.000 0.119 0.000 1.404 907 F CB 0.166 39.236 39.000 0.117 0.000 1.114 907 F HN -0.063 nan 8.300 nan 0.000 0.584 908 I N 3.014 123.736 120.570 0.254 0.000 2.291 908 I HA 0.235 4.405 4.170 -0.001 0.000 0.292 908 I C -2.345 173.847 176.117 0.126 0.000 1.064 908 I CA -1.874 59.538 61.300 0.186 0.000 1.269 908 I CB 0.100 38.216 38.000 0.193 0.000 1.418 908 I HN -0.214 nan 8.210 nan 0.000 0.485 909 P HA 0.184 nan 4.420 nan 0.000 0.279 909 P C -0.081 177.237 177.300 0.030 0.000 1.252 909 P CA -0.212 62.922 63.100 0.057 0.000 0.811 909 P CB 0.574 32.309 31.700 0.058 0.000 1.035 910 D N -0.078 120.315 120.400 -0.012 0.000 2.708 910 D HA -0.146 4.493 4.640 -0.001 0.000 0.236 910 D C 0.698 176.961 176.300 -0.061 0.000 1.146 910 D CA 0.176 54.147 54.000 -0.049 0.000 0.662 910 D CB -0.675 40.114 40.800 -0.019 0.000 1.059 910 D HN 0.180 nan 8.370 nan 0.000 0.428 911 L N 1.042 122.218 121.223 -0.078 0.000 2.042 911 L HA -0.133 4.207 4.340 -0.001 0.000 0.210 911 L C 2.354 179.136 176.870 -0.146 0.000 1.076 911 L CA 2.735 57.556 54.840 -0.031 0.000 0.749 911 L CB -0.782 41.314 42.059 0.062 0.000 0.893 911 L HN 0.184 nan 8.230 nan 0.000 0.432 912 K N -0.085 120.029 120.400 -0.476 0.000 2.052 912 K HA -0.176 4.143 4.320 -0.001 0.000 0.215 912 K C 1.987 178.497 176.600 -0.150 0.000 1.053 912 K CA 2.114 58.105 56.287 -0.494 0.000 0.934 912 K CB -1.297 30.866 32.500 -0.561 0.000 0.717 912 K HN 0.430 nan 8.250 nan 0.000 0.450 913 G N 0.621 109.357 108.800 -0.107 0.000 2.402 913 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.216 913 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.216 913 G C 1.468 176.373 174.900 0.010 0.000 1.162 913 G CA 0.865 45.945 45.100 -0.034 0.000 0.777 913 G HN 0.356 nan 8.290 nan 0.000 0.539 914 L N 0.931 122.170 121.223 0.026 0.000 1.971 914 L HA -0.124 4.216 4.340 -0.001 0.000 0.215 914 L C 2.894 179.818 176.870 0.091 0.000 1.072 914 L CA 2.248 57.128 54.840 0.067 0.000 0.758 914 L CB -0.533 41.584 42.059 0.096 0.000 0.889 914 L HN 0.320 nan 8.230 nan 0.000 0.433 915 M N -0.949 118.725 119.600 0.122 0.000 2.117 915 M HA -0.167 4.312 4.480 -0.001 0.000 0.262 915 M C 2.133 178.495 176.300 0.105 0.000 1.065 915 M CA 2.264 57.657 55.300 0.157 0.000 1.114 915 M CB -1.432 31.294 32.600 0.211 0.000 1.361 915 M HN 0.567 nan 8.290 nan 0.000 0.408 916 T N -0.785 113.813 114.554 0.073 0.000 2.803 916 T HA -0.127 4.223 4.350 -0.001 0.000 0.269 916 T C 1.667 176.396 174.700 0.048 0.000 1.052 916 T CA 1.345 63.477 62.100 0.053 0.000 1.136 916 T CB -0.321 68.567 68.868 0.033 0.000 0.864 916 T HN 0.430 nan 8.240 nan 0.000 0.467 917 K N 0.900 121.329 120.400 0.049 0.000 2.007 917 K HA 0.186 4.506 4.320 -0.001 0.000 0.206 917 K C 2.334 178.965 176.600 0.051 0.000 1.047 917 K CA 1.072 57.386 56.287 0.044 0.000 0.937 917 K CB -0.465 32.060 32.500 0.042 0.000 0.718 917 K HN 0.225 nan 8.250 nan 0.000 0.438 918 L N 1.006 122.268 121.223 0.066 0.000 2.042 918 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 918 L C 2.649 179.559 176.870 0.066 0.000 1.076 918 L CA 1.155 56.037 54.840 0.070 0.000 0.749 918 L CB -0.333 41.782 42.059 0.093 0.000 0.893 918 L HN 0.159 nan 8.230 nan 0.000 0.432 919 R N 0.240 120.782 120.500 0.070 0.000 2.113 919 R HA -0.245 4.095 4.340 -0.001 0.000 0.244 919 R C 2.257 178.584 176.300 0.045 0.000 1.142 919 R CA 1.918 58.053 56.100 0.058 0.000 0.953 919 R CB -0.394 29.939 30.300 0.055 0.000 0.860 919 R HN 0.359 nan 8.270 nan 0.000 0.438 920 K N 0.808 121.233 120.400 0.041 0.000 1.967 920 K HA -0.192 4.127 4.320 -0.001 0.000 0.212 920 K C 2.085 178.705 176.600 0.033 0.000 1.044 920 K CA 1.993 58.300 56.287 0.034 0.000 0.942 920 K CB -0.159 32.360 32.500 0.030 0.000 0.726 920 K HN 0.291 nan 8.250 nan 0.000 0.440 921 E N 0.780 121.001 120.200 0.035 0.000 2.136 921 E HA -0.285 4.065 4.350 -0.001 0.000 0.208 921 E C 1.954 178.574 176.600 0.034 0.000 1.035 921 E CA 2.161 58.581 56.400 0.033 0.000 0.838 921 E CB -0.754 28.967 29.700 0.036 0.000 0.748 921 E HN 0.409 nan 8.360 nan 0.000 0.459 922 I N 0.189 120.782 120.570 0.039 0.000 2.113 922 I HA -0.256 3.913 4.170 -0.001 0.000 0.238 922 I C 2.653 178.791 176.117 0.035 0.000 1.070 922 I CA 1.219 62.542 61.300 0.040 0.000 1.332 922 I CB -0.376 37.652 38.000 0.047 0.000 1.044 922 I HN 0.196 nan 8.210 nan 0.000 0.402 923 M N 0.016 119.637 119.600 0.034 0.000 2.202 923 M HA -0.226 4.254 4.480 -0.001 0.000 0.262 923 M C 2.135 178.451 176.300 0.026 0.000 1.063 923 M CA 1.617 56.935 55.300 0.029 0.000 1.097 923 M CB -1.218 31.398 32.600 0.027 0.000 1.382 923 M HN 0.325 nan 8.290 nan 0.000 0.413 924 E N -0.100 120.116 120.200 0.026 0.000 2.046 924 E HA -0.141 4.209 4.350 -0.001 0.000 0.190 924 E C 1.888 178.501 176.600 0.023 0.000 0.982 924 E CA 1.813 58.227 56.400 0.023 0.000 0.800 924 E CB 0.202 29.916 29.700 0.023 0.000 0.756 924 E HN 0.608 nan 8.360 nan 0.000 0.449 925 T N -0.963 113.606 114.554 0.024 0.000 2.821 925 T HA -0.149 4.201 4.350 -0.001 0.000 0.267 925 T C 2.162 176.876 174.700 0.023 0.000 1.046 925 T CA 1.445 63.559 62.100 0.023 0.000 1.139 925 T CB -0.414 68.469 68.868 0.025 0.000 0.871 925 T HN 0.147 nan 8.240 nan 0.000 0.454 926 S N 2.528 118.243 115.700 0.025 0.000 2.368 926 S HA 0.075 4.545 4.470 -0.001 0.000 0.224 926 S C 2.490 177.104 174.600 0.022 0.000 1.029 926 S CA 0.973 59.188 58.200 0.025 0.000 0.988 926 S CB -1.020 62.197 63.200 0.028 0.000 0.838 926 S HN 0.728 nan 8.310 nan 0.000 0.462 927 A N 2.251 125.084 122.820 0.022 0.000 1.851 927 A HA -0.003 4.317 4.320 -0.001 0.000 0.216 927 A C 2.270 179.865 177.584 0.018 0.000 1.195 927 A CA 1.739 53.788 52.037 0.019 0.000 0.622 927 A CB -1.122 17.889 19.000 0.019 0.000 0.831 927 A HN 0.608 nan 8.150 nan 0.000 0.444 928 I N -1.132 119.448 120.570 0.018 0.000 2.118 928 I HA -0.332 3.837 4.170 -0.001 0.000 0.241 928 I C 2.777 178.904 176.117 0.016 0.000 1.070 928 I CA 2.088 63.398 61.300 0.016 0.000 1.327 928 I CB -0.336 37.674 38.000 0.016 0.000 1.034 928 I HN 0.366 nan 8.210 nan 0.000 0.405 929 R N 0.800 121.310 120.500 0.018 0.000 2.073 929 R HA -0.231 4.108 4.340 -0.001 0.000 0.234 929 R C 2.405 178.716 176.300 0.017 0.000 1.134 929 R CA 1.969 58.080 56.100 0.017 0.000 0.952 929 R CB -0.173 30.139 30.300 0.019 0.000 0.850 929 R HN 0.568 nan 8.270 nan 0.000 0.433 930 Q N -1.205 118.606 119.800 0.018 0.000 2.311 930 Q HA 0.066 4.405 4.340 -0.001 0.000 0.203 930 Q C 1.753 177.763 176.000 0.017 0.000 0.954 930 Q CA 0.926 56.740 55.803 0.018 0.000 0.885 930 Q CB 0.092 28.842 28.738 0.019 0.000 0.963 930 Q HN 0.295 nan 8.270 nan 0.000 0.471 931 A N 1.475 124.305 122.820 0.016 0.000 1.854 931 A HA -0.059 4.261 4.320 -0.001 0.000 0.214 931 A C 2.354 179.947 177.584 0.014 0.000 1.192 931 A CA 1.173 53.219 52.037 0.015 0.000 0.611 931 A CB -0.847 18.161 19.000 0.014 0.000 0.832 931 A HN 0.195 nan 8.150 nan 0.000 0.442 932 V N 0.620 120.542 119.914 0.013 0.000 2.282 932 V HA -0.344 3.776 4.120 -0.001 0.000 0.249 932 V C 2.457 178.558 176.094 0.012 0.000 1.057 932 V CA 2.329 64.636 62.300 0.012 0.000 1.032 932 V CB -0.758 31.073 31.823 0.012 0.000 0.645 932 V HN 0.589 nan 8.190 nan 0.000 0.447 933 I N -0.610 119.968 120.570 0.014 0.000 2.118 933 I HA -0.327 3.842 4.170 -0.001 0.000 0.241 933 I C 2.568 178.694 176.117 0.015 0.000 1.070 933 I CA 1.898 63.207 61.300 0.015 0.000 1.327 933 I CB -0.592 37.418 38.000 0.017 0.000 1.034 933 I HN 0.262 nan 8.210 nan 0.000 0.405 934 K N 0.281 120.691 120.400 0.015 0.000 2.103 934 K HA -0.199 4.121 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 1.221 57.517 56.287 0.015 0.000 0.930 934 K CB -0.159 32.350 32.500 0.015 0.000 0.716 934 K HN 0.301 nan 8.250 nan 0.000 0.444 935 E N 0.180 120.387 120.200 0.012 0.000 2.012 935 E HA -0.158 4.192 4.350 -0.001 0.000 0.197 935 E C 2.190 178.795 176.600 0.007 0.000 1.007 935 E CA 2.068 58.473 56.400 0.009 0.000 0.816 935 E CB -0.556 29.149 29.700 0.008 0.000 0.762 935 E HN 0.452 nan 8.360 nan 0.000 0.451 936 T N -0.553 114.005 114.554 0.007 0.000 2.929 936 T HA -0.009 4.341 4.350 -0.001 0.000 0.271 936 T C 1.963 176.666 174.700 0.006 0.000 1.085 936 T CA 1.322 63.425 62.100 0.005 0.000 1.125 936 T CB -0.152 68.719 68.868 0.005 0.000 0.874 936 T HN 0.168 nan 8.240 nan 0.000 0.494 937 A N 1.497 124.324 122.820 0.011 0.000 1.897 937 A HA 0.211 4.530 4.320 -0.001 0.000 0.215 937 A C 2.353 179.946 177.584 0.014 0.000 1.181 937 A CA 0.964 53.011 52.037 0.016 0.000 0.620 937 A CB -0.683 18.330 19.000 0.020 0.000 0.821 937 A HN 0.553 nan 8.150 nan 0.000 0.443 938 I N -0.309 120.268 120.570 0.012 0.000 2.315 938 I HA -0.240 3.930 4.170 -0.001 0.000 0.248 938 I C 2.408 178.527 176.117 0.004 0.000 1.117 938 I CA 1.377 62.683 61.300 0.010 0.000 1.404 938 I CB -0.431 37.574 38.000 0.009 0.000 1.071 938 I HN 0.437 nan 8.210 nan 0.000 0.419 939 E N 0.825 121.025 120.200 0.000 0.000 2.118 939 E HA -0.241 4.109 4.350 -0.001 0.000 0.195 939 E C 1.775 178.365 176.600 -0.016 0.000 0.992 939 E CA 1.369 57.765 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 0.723 119.415 118.700 -0.014 0.000 2.244 940 N HA -0.097 4.642 4.740 -0.001 0.000 0.183 940 N C 1.345 176.842 175.510 -0.021 0.000 1.016 940 N CA 0.877 53.911 53.050 -0.027 0.000 0.866 940 N CB 0.001 38.479 38.487 -0.016 0.000 0.980 940 N HN 0.108 nan 8.380 nan 0.000 0.430 941 K N 0.130 120.531 120.400 0.001 0.000 2.211 941 K HA 0.014 4.334 4.320 -0.001 0.000 0.203 941 K C 1.656 178.257 176.600 0.002 0.000 1.050 941 K CA 0.592 56.887 56.287 0.013 0.000 0.945 941 K CB 0.063 32.576 32.500 0.022 0.000 0.732 941 K HN 0.036 nan 8.250 nan 0.000 0.451 942 V N 0.749 120.658 119.914 -0.007 0.000 2.273 942 V HA -0.182 3.938 4.120 -0.001 0.000 0.242 942 V C 2.298 178.377 176.094 -0.024 0.000 1.035 942 V CA 1.274 63.568 62.300 -0.011 0.000 1.013 942 V CB -0.322 31.495 31.823 -0.010 0.000 0.652 942 V HN 0.007 nan 8.190 nan 0.000 0.452 943 V N 1.057 120.948 119.914 -0.039 0.000 2.295 943 V HA -0.219 3.901 4.120 -0.001 0.000 0.246 943 V C 2.189 178.230 176.094 -0.088 0.000 1.049 943 V CA 2.325 64.589 62.300 -0.060 0.000 1.024 943 V CB -0.779 31.002 31.823 -0.071 0.000 0.648 943 V HN 0.573 nan 8.190 nan 0.000 0.447 944 N N -0.323 118.307 118.700 -0.118 0.000 2.415 944 N HA 0.231 4.971 4.740 -0.001 0.000 0.176 944 N C 0.859 176.334 175.510 -0.058 0.000 1.042 944 N CA 1.021 53.955 53.050 -0.193 0.000 0.902 944 N CB 0.336 38.596 38.487 -0.378 0.000 0.986 944 N HN 0.574 nan 8.380 nan 0.000 0.447 945 G N 0.873 109.666 108.800 -0.011 0.000 2.692 945 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.686 945 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.686 945 G C 0.276 175.214 174.900 0.064 0.000 1.243 945 G CA -0.268 44.850 45.100 0.029 0.000 0.782 945 G HN 0.000 nan 8.290 nan 0.000 0.625 946 E N 0.350 120.583 120.200 0.055 0.000 2.065 946 E HA -0.111 4.238 4.350 -0.001 0.000 0.201 946 E C 2.168 178.820 176.600 0.088 0.000 1.016 946 E CA 2.225 58.663 56.400 0.062 0.000 0.818 946 E CB -0.140 29.588 29.700 0.046 0.000 0.749 946 E HN 0.595 nan 8.360 nan 0.000 0.453 947 D N -0.928 119.527 120.400 0.091 0.000 2.092 947 D HA -0.184 4.455 4.640 -0.001 0.000 0.193 947 D C 1.931 178.325 176.300 0.157 0.000 0.994 947 D CA 1.331 55.392 54.000 0.103 0.000 0.828 947 D CB -0.561 40.292 40.800 0.089 0.000 0.963 947 D HN 0.301 nan 8.370 nan 0.000 0.450 948 H N 1.164 120.280 119.070 0.077 0.000 2.267 948 H HA -0.097 4.459 4.556 -0.001 0.000 0.297 948 H C 1.800 177.191 175.328 0.105 0.000 1.080 948 H CA 1.551 57.644 56.048 0.074 0.000 1.278 948 H CB 0.188 29.919 29.762 -0.052 0.000 1.365 948 H HN 0.012 nan 8.280 nan 0.000 0.489 949 E N 0.621 121.007 120.200 0.309 0.000 2.118 949 E HA -0.113 4.236 4.350 -0.001 0.000 0.195 949 E C 2.355 179.070 176.600 0.192 0.000 0.992 949 E CA 0.937 57.478 56.400 0.235 0.000 0.804 949 E CB -0.516 29.265 29.700 0.136 0.000 0.741 949 E HN 0.556 nan 8.360 nan 0.000 0.458 950 A N 1.269 124.180 122.820 0.152 0.000 1.865 950 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 950 A C 2.182 179.829 177.584 0.106 0.000 1.191 950 A CA 1.268 53.370 52.037 0.108 0.000 0.623 950 A CB -0.774 18.272 19.000 0.077 0.000 0.826 950 A HN 0.255 nan 8.150 nan 0.000 0.444 951 L N -1.783 119.516 121.223 0.127 0.000 2.711 951 L HA -0.003 4.337 4.340 -0.001 0.000 0.242 951 L C 0.222 176.973 176.870 -0.199 0.000 1.153 951 L CA 0.465 55.292 54.840 -0.022 0.000 0.898 951 L CB -0.570 41.444 42.059 -0.075 0.000 1.044 951 L HN 0.511 nan 8.230 nan 0.000 0.437 952 Y N -0.312 119.953 120.300 -0.058 0.000 2.666 952 Y HA 0.341 4.890 4.550 -0.001 0.000 0.264 952 Y C 0.335 176.232 175.900 -0.006 0.000 1.054 952 Y CA -0.654 57.419 58.100 -0.046 0.000 1.121 952 Y CB 0.510 38.930 38.460 -0.067 0.000 1.190 952 Y HN 0.025 nan 8.280 nan 0.000 0.587 953 R N 0.667 121.218 120.500 0.084 0.000 2.445 953 R HA 0.431 4.771 4.340 -0.001 0.000 0.308 953 R C -0.193 176.124 176.300 0.028 0.000 0.961 953 R CA -1.063 55.075 56.100 0.063 0.000 0.862 953 R CB 1.516 31.851 30.300 0.058 0.000 1.144 953 R HN 0.176 nan 8.270 nan 0.000 0.447 954 R N 1.796 122.314 120.500 0.030 0.000 2.549 954 R HA -0.040 4.300 4.340 -0.001 0.000 0.336 954 R C -0.293 176.014 176.300 0.011 0.000 0.891 954 R CA 0.309 56.419 56.100 0.017 0.000 1.102 954 R CB 0.174 30.487 30.300 0.021 0.000 0.899 954 R HN 0.325 nan 8.270 nan 0.000 0.407 955 V N 7.154 127.068 119.914 0.000 0.000 2.352 955 V HA 0.114 4.234 4.120 -0.001 0.000 0.253 955 V C 0.867 176.964 176.094 0.005 0.000 1.083 955 V CA -0.040 62.260 62.300 0.000 0.000 0.993 955 V CB 0.070 31.886 31.823 -0.011 0.000 1.111 955 V HN 0.556 nan 8.190 nan 0.000 0.490 956 I N 4.946 125.523 120.570 0.011 0.000 2.396 956 I HA 0.164 4.334 4.170 -0.001 0.000 0.289 956 I C 1.124 177.250 176.117 0.015 0.000 1.056 956 I CA -0.048 61.260 61.300 0.014 0.000 1.365 956 I CB 1.203 39.213 38.000 0.017 0.000 1.407 956 I HN 0.643 nan 8.210 nan 0.000 0.509 957 T N 2.684 117.247 114.554 0.015 0.000 2.916 957 T HA 0.183 4.533 4.350 -0.001 0.000 0.303 957 T C -0.063 174.651 174.700 0.023 0.000 1.025 957 T CA -0.750 61.361 62.100 0.017 0.000 1.142 957 T CB 0.637 69.514 68.868 0.015 0.000 0.947 957 T HN 0.480 nan 8.240 nan 0.000 0.544 958 E N 3.258 123.474 120.200 0.027 0.000 2.200 958 E HA 0.318 4.668 4.350 -0.001 0.000 0.283 958 E C -2.162 174.462 176.600 0.040 0.000 1.015 958 E CA -1.863 54.558 56.400 0.034 0.000 0.819 958 E CB 0.502 30.225 29.700 0.038 0.000 1.081 958 E HN 0.539 nan 8.360 nan 0.000 0.397 959 P HA 0.104 nan 4.420 nan 0.000 0.268 959 P C -0.534 176.804 177.300 0.063 0.000 1.205 959 P CA 0.059 63.188 63.100 0.049 0.000 0.771 959 P CB 0.818 32.547 31.700 0.049 0.000 0.858 960 R N 0.927 121.466 120.500 0.066 0.000 3.006 960 R HA 0.858 5.198 4.340 -0.001 0.000 0.235 960 R C -0.879 175.481 176.300 0.100 0.000 1.362 960 R CA -1.139 55.013 56.100 0.087 0.000 1.067 960 R CB 1.650 31.993 30.300 0.071 0.000 1.396 960 R HN 0.491 nan 8.270 nan 0.000 0.504 961 A N 1.931 124.831 122.820 0.133 0.000 2.319 961 A HA 0.336 4.655 4.320 -0.001 0.000 0.310 961 A C -1.146 176.536 177.584 0.164 0.000 1.152 961 A CA -0.891 51.235 52.037 0.148 0.000 0.783 961 A CB 0.708 19.818 19.000 0.183 0.000 1.184 961 A HN 0.731 nan 8.150 nan 0.000 0.474 962 N N 2.900 121.688 118.700 0.147 0.000 2.408 962 N HA 0.356 5.095 4.740 -0.001 0.000 0.280 962 N C -1.365 174.286 175.510 0.234 0.000 1.002 962 N CA -0.501 52.656 53.050 0.178 0.000 0.907 962 N CB 1.327 39.887 38.487 0.122 0.000 1.161 962 N HN 0.445 nan 8.380 nan 0.000 0.488 963 L N 2.488 123.936 121.223 0.374 0.000 2.328 963 L HA 0.224 4.564 4.340 -0.001 0.000 0.280 963 L C 0.407 177.511 176.870 0.391 0.000 1.111 963 L CA -0.586 54.444 54.840 0.317 0.000 0.909 963 L CB 0.047 42.264 42.059 0.263 0.000 1.277 963 L HN 0.334 nan 8.230 nan 0.000 0.433 964 K N 2.559 123.110 120.400 0.252 0.000 2.451 964 K HA -0.029 4.291 4.320 -0.001 0.000 0.280 964 K C -0.501 176.194 176.600 0.157 0.000 1.020 964 K CA 0.036 56.471 56.287 0.247 0.000 1.008 964 K CB 0.365 32.921 32.500 0.093 0.000 0.917 964 K HN 0.292 nan 8.250 nan 0.000 0.478 965 Y N 4.822 125.212 120.300 0.151 0.000 2.650 965 Y HA 0.154 4.704 4.550 -0.001 0.000 0.343 965 Y C -2.152 173.699 175.900 -0.083 0.000 1.078 965 Y CA -2.464 55.601 58.100 -0.058 0.000 1.356 965 Y CB 0.456 38.870 38.460 -0.076 0.000 1.204 965 Y HN 0.466 nan 8.280 nan 0.000 0.508 966 P HA 0.093 nan 4.420 nan 0.000 0.281 966 P C -0.848 176.604 177.300 0.254 0.000 1.252 966 P CA 0.006 63.138 63.100 0.053 0.000 0.778 966 P CB 0.620 32.329 31.700 0.015 0.000 0.895 967 F N 3.260 123.262 119.950 0.086 0.000 2.380 967 F HA 0.402 4.929 4.527 -0.001 0.000 0.319 967 F C -1.574 174.174 175.800 -0.087 0.000 1.113 967 F CA -2.894 55.122 58.000 0.027 0.000 1.056 967 F CB -0.933 38.071 39.000 0.006 0.000 1.289 967 F HN 0.194 nan 8.300 nan 0.000 0.515 968 P HA -0.016 nan 4.420 nan 0.000 0.265 968 P C -0.782 176.526 177.300 0.013 0.000 1.187 968 P CA 0.131 63.123 63.100 -0.180 0.000 0.766 968 P CB 0.192 31.619 31.700 -0.456 0.000 0.820 969 E N 1.968 122.199 120.200 0.051 0.000 2.415 969 E HA 0.025 4.375 4.350 -0.001 0.000 0.260 969 E C -0.292 176.392 176.600 0.141 0.000 1.016 969 E CA -0.172 56.288 56.400 0.099 0.000 0.924 969 E CB 0.019 29.787 29.700 0.113 0.000 0.961 969 E HN 0.329 nan 8.360 nan 0.000 0.459 970 L N 6.726 128.026 121.223 0.128 0.000 2.433 970 L HA 0.175 4.514 4.340 -0.001 0.000 0.275 970 L C -1.863 175.131 176.870 0.207 0.000 1.128 970 L CA -1.465 53.468 54.840 0.154 0.000 0.875 970 L CB -0.401 41.688 42.059 0.049 0.000 1.171 970 L HN 0.331 nan 8.230 nan 0.000 0.463 971 P HA -0.016 nan 4.420 nan 0.000 0.271 971 P C -0.826 176.587 177.300 0.188 0.000 1.233 971 P CA -0.359 62.868 63.100 0.211 0.000 0.795 971 P CB 0.418 32.242 31.700 0.207 0.000 0.936 972 D N -0.533 119.939 120.400 0.120 0.000 2.210 972 D HA 0.015 4.655 4.640 -0.001 0.000 0.249 972 D C 0.864 177.218 176.300 0.090 0.000 1.078 972 D CA -0.440 53.638 54.000 0.131 0.000 0.875 972 D CB 0.321 41.174 40.800 0.088 0.000 1.175 972 D HN 0.427 nan 8.370 nan 0.000 0.440 973 W N 3.537 124.815 121.300 -0.036 0.000 2.335 973 W HA -0.237 4.423 4.660 -0.001 0.000 0.311 973 W C 0.271 176.736 176.519 -0.090 0.000 1.213 973 W CA 1.504 58.775 57.345 -0.124 0.000 1.274 973 W CB 0.209 29.659 29.460 -0.017 0.000 1.148 973 W HN 0.519 nan 8.180 nan 0.000 0.498 974 D N -0.187 120.125 120.400 -0.146 0.000 2.146 974 D HA -0.131 4.509 4.640 -0.001 0.000 0.209 974 D C 2.208 178.376 176.300 -0.219 0.000 0.973 974 D CA 1.400 55.248 54.000 -0.253 0.000 0.860 974 D CB -0.487 40.280 40.800 -0.056 0.000 1.015 974 D HN 0.012 nan 8.370 nan 0.000 0.465 975 K N 0.240 120.573 120.400 -0.112 0.000 2.097 975 K HA -0.091 4.229 4.320 -0.001 0.000 0.206 975 K C 0.943 177.465 176.600 -0.130 0.000 1.049 975 K CA 1.097 57.326 56.287 -0.096 0.000 0.933 975 K CB 0.099 32.577 32.500 -0.037 0.000 0.717 975 K HN 0.202 nan 8.250 nan 0.000 0.442 976 D N -0.423 119.890 120.400 -0.144 0.000 2.470 976 D HA 0.120 4.760 4.640 -0.001 0.000 0.238 976 D C 1.892 178.049 176.300 -0.238 0.000 1.054 976 D CA 0.506 54.415 54.000 -0.151 0.000 0.896 976 D CB 0.620 41.374 40.800 -0.077 0.000 1.118 976 D HN 0.099 nan 8.370 nan 0.000 0.497 977 I N 0.355 120.727 120.570 -0.330 0.000 3.039 977 I HA -0.002 4.168 4.170 -0.001 0.000 0.270 977 I C 2.357 178.126 176.117 -0.580 0.000 1.150 977 I CA 0.080 61.130 61.300 -0.416 0.000 1.448 977 I CB -0.081 37.684 38.000 -0.390 0.000 1.197 977 I HN -0.215 nan 8.210 nan 0.000 0.450 978 K N 1.746 121.650 120.400 -0.828 0.000 2.077 978 K HA -0.189 4.131 4.320 -0.001 0.000 0.213 978 K C -0.703 175.654 176.600 -0.405 0.000 1.051 978 K CA 2.150 57.979 56.287 -0.764 0.000 0.929 978 K CB -0.929 31.150 32.500 -0.701 0.000 0.715 978 K HN 0.181 nan 8.250 nan 0.000 0.451 979 P HA -0.120 nan 4.420 nan 0.000 0.229 979 P C 0.439 177.629 177.300 -0.183 0.000 1.150 979 P CA 1.151 64.124 63.100 -0.212 0.000 0.765 979 P CB 0.122 31.709 31.700 -0.189 0.000 0.783 980 L N -2.404 118.688 121.223 -0.217 0.000 2.577 980 L HA 0.183 4.523 4.340 -0.001 0.000 0.225 980 L C 2.132 178.939 176.870 -0.105 0.000 1.053 980 L CA 0.209 54.952 54.840 -0.161 0.000 0.866 980 L CB -0.823 41.094 42.059 -0.236 0.000 1.132 980 L HN -0.165 nan 8.230 nan 0.000 0.486 981 N N 1.061 119.676 118.700 -0.140 0.000 2.091 981 N HA -0.260 4.480 4.740 -0.001 0.000 0.193 981 N C 1.393 176.894 175.510 -0.015 0.000 1.021 981 N CA 1.935 54.953 53.050 -0.053 0.000 0.862 981 N CB -0.085 38.351 38.487 -0.086 0.000 1.018 981 N HN 0.225 nan 8.380 nan 0.000 0.429 982 D N 0.281 120.654 120.400 -0.044 0.000 2.116 982 D HA -0.175 4.465 4.640 -0.001 0.000 0.193 982 D C 1.930 178.221 176.300 -0.016 0.000 0.998 982 D CA 1.162 55.147 54.000 -0.025 0.000 0.836 982 D CB -0.258 40.518 40.800 -0.040 0.000 0.951 982 D HN 0.548 nan 8.370 nan 0.000 0.449 983 Q N -0.497 119.291 119.800 -0.019 0.000 2.096 983 Q HA 0.071 4.411 4.340 -0.001 0.000 0.197 983 Q C 2.228 178.226 176.000 -0.002 0.000 0.964 983 Q CA 0.555 56.352 55.803 -0.010 0.000 0.838 983 Q CB 0.198 28.936 28.738 -0.001 0.000 0.906 983 Q HN 0.278 nan 8.270 nan 0.000 0.444 984 L N 0.133 121.364 121.223 0.014 0.000 2.585 984 L HA 0.138 4.478 4.340 -0.001 0.000 0.226 984 L C 0.934 177.823 176.870 0.032 0.000 1.113 984 L CA -0.208 54.649 54.840 0.027 0.000 0.876 984 L CB 0.140 42.246 42.059 0.079 0.000 1.072 984 L HN 0.077 nan 8.230 nan 0.000 0.468 985 R N 1.099 121.625 120.500 0.043 0.000 2.480 985 R HA 0.064 4.404 4.340 -0.001 0.000 0.303 985 R C 1.102 177.420 176.300 0.030 0.000 0.985 985 R CA 0.947 57.084 56.100 0.060 0.000 1.051 985 R CB 0.157 30.502 30.300 0.073 0.000 0.935 985 R HN 0.310 nan 8.270 nan 0.000 0.410 986 G N 4.621 113.442 108.800 0.035 0.000 2.180 986 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.263 986 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.263 986 G C 0.659 175.551 174.900 -0.012 0.000 0.989 986 G CA 0.460 45.569 45.100 0.015 0.000 0.692 986 G HN 0.567 nan 8.290 nan 0.000 0.526 987 M N -0.355 119.226 119.600 -0.031 0.000 2.628 987 M HA 0.352 4.832 4.480 -0.001 0.000 0.232 987 M C 0.546 176.791 176.300 -0.091 0.000 1.128 987 M CA 0.485 55.750 55.300 -0.058 0.000 1.040 987 M CB -0.092 32.467 32.600 -0.068 0.000 1.608 987 M HN 0.105 nan 8.290 nan 0.000 0.507 988 V N 0.752 120.609 119.914 -0.095 0.000 2.891 988 V HA 0.246 4.365 4.120 -0.001 0.000 0.304 988 V C -0.674 175.388 176.094 -0.053 0.000 1.171 988 V CA -1.363 60.855 62.300 -0.138 0.000 0.943 988 V CB 2.746 34.345 31.823 -0.373 0.000 1.037 988 V HN 0.214 nan 8.190 nan 0.000 0.427 989 N N 4.891 123.575 118.700 -0.027 0.000 2.399 989 N HA 0.206 4.946 4.740 -0.001 0.000 0.259 989 N C 0.696 176.222 175.510 0.027 0.000 1.160 989 N CA -0.003 53.048 53.050 0.001 0.000 0.946 989 N CB 0.698 39.180 38.487 -0.007 0.000 1.156 989 N HN 0.686 nan 8.380 nan 0.000 0.489 990 L N 1.622 122.870 121.223 0.042 0.000 2.675 990 L HA 0.008 4.348 4.340 -0.001 0.000 0.238 990 L C 0.795 177.699 176.870 0.057 0.000 1.155 990 L CA 0.440 55.323 54.840 0.072 0.000 0.881 990 L CB -0.209 41.892 42.059 0.070 0.000 1.008 990 L HN 0.510 nan 8.230 nan 0.000 0.443 991 D N -0.076 120.345 120.400 0.034 0.000 2.407 991 D HA -0.006 4.634 4.640 -0.001 0.000 0.208 991 D C 1.129 177.431 176.300 0.003 0.000 1.083 991 D CA 0.488 54.499 54.000 0.018 0.000 0.844 991 D CB 0.517 41.319 40.800 0.003 0.000 0.967 991 D HN 0.045 nan 8.370 nan 0.000 0.506 992 K N 0.045 120.452 120.400 0.012 0.000 2.676 992 K HA 0.262 4.582 4.320 -0.001 0.000 0.205 992 K C -0.965 175.674 176.600 0.064 0.000 1.084 992 K CA -0.170 56.111 56.287 -0.009 0.000 1.057 992 K CB 2.410 34.882 32.500 -0.047 0.000 0.791 992 K HN -0.106 nan 8.250 nan 0.000 0.484 993 V N 2.107 122.094 119.914 0.121 0.000 2.357 993 V HA 0.245 4.365 4.120 -0.001 0.000 0.284 993 V C -0.163 176.043 176.094 0.187 0.000 1.018 993 V CA -0.836 61.608 62.300 0.239 0.000 0.841 993 V CB 1.703 33.726 31.823 0.334 0.000 0.991 993 V HN -0.087 nan 8.190 nan 0.000 0.437 994 V N 6.163 126.218 119.914 0.235 0.000 2.439 994 V HA 0.535 4.655 4.120 -0.001 0.000 0.282 994 V C -0.062 176.116 176.094 0.141 0.000 1.039 994 V CA -0.474 61.947 62.300 0.201 0.000 0.913 994 V CB 1.711 33.748 31.823 0.356 0.000 0.983 994 V HN 0.547 nan 8.190 nan 0.000 0.460 995 V N 5.035 125.006 119.914 0.096 0.000 2.709 995 V HA 0.393 4.513 4.120 -0.001 0.000 0.308 995 V C -0.328 175.812 176.094 0.075 0.000 1.062 995 V CA -0.613 61.720 62.300 0.054 0.000 0.901 995 V CB 2.615 34.453 31.823 0.025 0.000 1.003 995 V HN 0.639 nan 8.190 nan 0.000 0.425 996 V N 4.290 124.252 119.914 0.079 0.000 2.389 996 V HA 0.190 4.310 4.120 -0.001 0.000 0.264 996 V C 1.166 177.360 176.094 0.165 0.000 1.049 996 V CA 0.625 62.988 62.300 0.105 0.000 0.932 996 V CB 0.822 32.703 31.823 0.098 0.000 1.011 996 V HN 1.058 nan 8.190 nan 0.000 0.475 997 T N 3.330 117.977 114.554 0.155 0.000 3.023 997 T HA 0.301 4.651 4.350 -0.001 0.000 0.249 997 T C 0.740 175.580 174.700 0.232 0.000 1.050 997 T CA 0.792 63.011 62.100 0.199 0.000 1.088 997 T CB 0.115 69.067 68.868 0.140 0.000 0.946 997 T HN 0.787 nan 8.240 nan 0.000 0.480 998 G N 0.922 109.787 108.800 0.109 0.000 2.533 998 G HA2 0.656 4.615 3.960 -0.001 0.000 0.304 998 G HA3 0.656 4.615 3.960 -0.001 0.000 0.304 998 G C -2.027 172.797 174.900 -0.126 0.000 1.263 998 G CA -0.422 44.694 45.100 0.026 0.000 0.964 998 G HN 0.288 nan 8.290 nan 0.000 0.479 999 L N 0.594 121.701 121.223 -0.193 0.000 2.614 999 L HA 0.700 5.040 4.340 -0.001 0.000 0.264 999 L C -0.893 175.916 176.870 -0.103 0.000 0.940 999 L CA -0.358 54.339 54.840 -0.238 0.000 0.903 999 L CB 1.181 42.890 42.059 -0.584 0.000 1.306 999 L HN 1.046 nan 8.230 nan 0.000 0.410 1000 A N 4.452 127.267 122.820 -0.008 0.000 2.602 1000 A HA 0.904 5.224 4.320 -0.001 0.000 0.290 1000 A C -1.475 176.158 177.584 0.082 0.000 1.114 1000 A CA -0.371 51.693 52.037 0.045 0.000 0.683 1000 A CB 2.324 21.381 19.000 0.095 0.000 1.281 1000 A HN 0.730 nan 8.150 nan 0.000 0.416 1001 E N -0.377 119.870 120.200 0.079 0.000 2.388 1001 E HA 0.584 4.933 4.350 -0.001 0.000 0.281 1001 E C -2.109 174.514 176.600 0.038 0.000 1.046 1001 E CA -0.726 55.742 56.400 0.113 0.000 0.825 1001 E CB 1.174 30.886 29.700 0.020 0.000 1.243 1001 E HN 0.369 nan 8.360 nan 0.000 0.438 1002 I N 1.584 122.192 120.570 0.064 0.000 2.447 1002 I HA 0.730 4.900 4.170 -0.001 0.000 0.287 1002 I C 0.127 176.164 176.117 -0.133 0.000 1.023 1002 I CA 0.111 61.340 61.300 -0.119 0.000 1.083 1002 I CB 1.783 39.633 38.000 -0.251 0.000 1.245 1002 I HN 0.782 nan 8.210 nan 0.000 0.434 1003 G N 5.360 113.989 108.800 -0.286 0.000 2.682 1003 G HA2 0.467 4.427 3.960 -0.001 0.000 0.303 1003 G HA3 0.467 4.427 3.960 -0.001 0.000 0.303 1003 G C -2.647 172.090 174.900 -0.272 0.000 1.341 1003 G CA -0.838 44.090 45.100 -0.287 0.000 0.784 1003 G HN 0.250 nan 8.290 nan 0.000 0.497 1004 P HA -0.030 nan 4.420 nan 0.000 0.222 1004 P C 0.442 177.463 177.300 -0.466 0.000 1.142 1004 P CA 1.217 64.139 63.100 -0.297 0.000 0.788 1004 P CB 0.140 31.687 31.700 -0.255 0.000 0.767 1005 W N -1.174 120.054 121.300 -0.120 0.000 3.008 1005 W HA 0.432 5.092 4.660 -0.001 0.000 0.355 1005 W C 1.009 177.554 176.519 0.044 0.000 1.095 1005 W CA 0.686 58.027 57.345 -0.007 0.000 1.738 1005 W CB 0.743 30.181 29.460 -0.037 0.000 1.091 1005 W HN -0.046 nan 8.180 nan 0.000 0.574 1006 G N 1.176 110.042 108.800 0.110 0.000 2.409 1006 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.421 1006 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.421 1006 G C -0.481 174.459 174.900 0.066 0.000 1.259 1006 G CA -0.760 44.421 45.100 0.135 0.000 1.011 1006 G HN 0.139 nan 8.290 nan 0.000 0.497 1007 N N 0.377 119.175 118.700 0.163 0.000 2.340 1007 N HA 0.475 5.215 4.740 -0.001 0.000 0.236 1007 N C 1.685 177.226 175.510 0.052 0.000 1.296 1007 N CA 1.065 54.187 53.050 0.119 0.000 0.896 1007 N CB 0.405 39.030 38.487 0.230 0.000 1.127 1007 N HN 1.726 nan 8.380 nan 0.000 0.442 1008 A N 0.606 123.429 122.820 0.004 0.000 1.986 1008 A HA -0.253 4.066 4.320 -0.001 0.000 0.220 1008 A C 2.138 179.738 177.584 0.026 0.000 1.171 1008 A CA 1.465 53.484 52.037 -0.030 0.000 0.640 1008 A CB -0.639 18.331 19.000 -0.051 0.000 0.811 1008 A HN 0.739 nan 8.150 nan 0.000 0.451 1009 R N -0.696 119.827 120.500 0.038 0.000 2.082 1009 R HA -0.134 4.206 4.340 -0.001 0.000 0.234 1009 R C 2.588 178.930 176.300 0.070 0.000 1.136 1009 R CA 2.160 58.285 56.100 0.041 0.000 0.935 1009 R CB -1.151 29.149 30.300 0.001 0.000 0.842 1009 R HN 0.755 nan 8.270 nan 0.000 0.430 1010 T N -0.322 114.299 114.554 0.111 0.000 2.788 1010 T HA -0.159 4.190 4.350 -0.001 0.000 0.268 1010 T C 2.026 176.716 174.700 -0.015 0.000 1.044 1010 T CA 0.916 63.094 62.100 0.130 0.000 1.139 1010 T CB -0.217 68.882 68.868 0.385 0.000 0.867 1010 T HN 0.083 nan 8.240 nan 0.000 0.454 1011 R N 0.133 120.656 120.500 0.038 0.000 2.073 1011 R HA -0.102 4.237 4.340 -0.001 0.000 0.234 1011 R C 2.275 178.500 176.300 -0.126 0.000 1.134 1011 R CA 1.730 57.801 56.100 -0.049 0.000 0.952 1011 R CB -1.079 29.176 30.300 -0.075 0.000 0.850 1011 R HN 0.769 nan 8.270 nan 0.000 0.433 1012 W N 2.045 123.227 121.300 -0.196 0.000 2.333 1012 W HA -0.225 4.435 4.660 -0.000 0.000 0.316 1012 W C 1.531 177.931 176.519 -0.199 0.000 1.215 1012 W CA 1.579 58.823 57.345 -0.168 0.000 1.278 1012 W CB -0.227 29.166 29.460 -0.113 0.000 1.154 1012 W HN 0.230 nan 8.180 nan 0.000 0.486 1013 E N 0.167 120.181 120.200 -0.310 0.000 2.114 1013 E HA -0.339 4.010 4.350 -0.001 0.000 0.199 1013 E C 1.984 178.225 176.600 -0.599 0.000 1.008 1013 E CA 2.294 58.378 56.400 -0.526 0.000 0.810 1013 E CB -0.536 28.828 29.700 -0.561 0.000 0.739 1013 E HN 0.280 nan 8.360 nan 0.000 0.456 1014 M N 0.768 119.946 119.600 -0.703 0.000 2.123 1014 M HA -0.129 4.351 4.480 -0.001 0.000 0.263 1014 M C 2.053 178.017 176.300 -0.560 0.000 1.069 1014 M CA 1.606 56.472 55.300 -0.723 0.000 1.133 1014 M CB -0.057 31.926 32.600 -1.027 0.000 1.356 1014 M HN -0.022 nan 8.290 nan 0.000 0.415 1015 E N -0.634 119.240 120.200 -0.543 0.000 2.160 1015 E HA -0.200 4.150 4.350 -0.001 0.000 0.195 1015 E C 1.473 177.805 176.600 -0.445 0.000 0.991 1015 E CA 1.437 57.581 56.400 -0.426 0.000 0.810 1015 E CB -0.002 29.504 29.700 -0.323 0.000 0.742 1015 E HN 0.587 nan 8.360 nan 0.000 0.466 1016 A N -0.422 121.978 122.820 -0.699 0.000 1.963 1016 A HA 0.051 4.371 4.320 -0.001 0.000 0.211 1016 A C 1.653 178.965 177.584 -0.453 0.000 1.380 1016 A CA 0.373 51.967 52.037 -0.738 0.000 0.690 1016 A CB -0.605 17.588 19.000 -1.346 0.000 1.060 1016 A HN 0.297 nan 8.150 nan 0.000 0.498 1017 Y N -0.414 119.572 120.300 -0.523 0.000 2.337 1017 Y HA 0.273 4.823 4.550 -0.001 0.000 0.293 1017 Y C 2.148 177.882 175.900 -0.277 0.000 1.123 1017 Y CA 0.643 58.540 58.100 -0.339 0.000 1.201 1017 Y CB -0.207 38.077 38.460 -0.293 0.000 1.011 1017 Y HN 0.537 nan 8.280 nan 0.000 0.545 1018 G N 0.113 108.809 108.800 -0.174 0.000 2.176 1018 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.232 1018 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.232 1018 G C 0.221 175.042 174.900 -0.131 0.000 0.986 1018 G CA 0.355 45.352 45.100 -0.172 0.000 0.643 1018 G HN 0.544 nan 8.290 nan 0.000 0.522 1019 K N -1.369 118.954 120.400 -0.129 0.000 2.578 1019 K HA 0.740 5.060 4.320 -0.001 0.000 0.287 1019 K C -1.204 175.335 176.600 -0.102 0.000 1.010 1019 K CA -1.306 54.967 56.287 -0.024 0.000 0.889 1019 K CB 0.651 33.188 32.500 0.061 0.000 1.514 1019 K HN 0.026 nan 8.250 nan 0.000 0.424 1020 F N 1.955 121.897 119.950 -0.014 0.000 2.410 1020 F HA 0.284 4.811 4.527 -0.000 0.000 0.348 1020 F C 0.956 176.754 175.800 -0.003 0.000 1.106 1020 F CA -0.010 57.987 58.000 -0.004 0.000 1.163 1020 F CB 1.697 40.726 39.000 0.048 0.000 1.129 1020 F HN 0.679 nan 8.300 nan 0.000 0.516 1021 S N 3.987 119.740 115.700 0.088 0.000 2.608 1021 S HA 0.113 4.583 4.470 -0.001 0.000 0.261 1021 S C 1.194 175.871 174.600 0.129 0.000 1.314 1021 S CA -0.851 57.387 58.200 0.063 0.000 0.992 1021 S CB 0.701 63.892 63.200 -0.015 0.000 0.935 1021 S HN 0.717 nan 8.310 nan 0.000 0.564 1022 L N 0.498 121.781 121.223 0.100 0.000 2.079 1022 L HA -0.099 4.241 4.340 -0.001 0.000 0.210 1022 L C 2.334 179.285 176.870 0.136 0.000 1.081 1022 L CA 2.153 57.060 54.840 0.112 0.000 0.752 1022 L CB -1.610 40.506 42.059 0.094 0.000 0.896 1022 L HN 0.828 nan 8.230 nan 0.000 0.433 1023 E N -0.381 119.893 120.200 0.123 0.000 2.085 1023 E HA -0.145 4.205 4.350 -0.001 0.000 0.194 1023 E C 2.062 178.763 176.600 0.168 0.000 0.994 1023 E CA 1.318 57.801 56.400 0.139 0.000 0.801 1023 E CB -0.552 29.206 29.700 0.096 0.000 0.743 1023 E HN 0.585 nan 8.360 nan 0.000 0.453 1024 G N -0.392 108.523 108.800 0.191 0.000 2.394 1024 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.215 1024 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.215 1024 G C 1.781 176.900 174.900 0.365 0.000 1.165 1024 G CA 0.814 46.112 45.100 0.329 0.000 0.784 1024 G HN 0.336 nan 8.290 nan 0.000 0.535 1025 C N -0.044 119.415 119.300 0.264 0.000 2.413 1025 C HA -0.067 4.392 4.460 -0.001 0.000 0.277 1025 C C 3.081 178.129 174.990 0.097 0.000 1.228 1025 C CA 0.983 60.071 59.018 0.116 0.000 1.731 1025 C CB -0.946 26.853 27.740 0.097 0.000 2.042 1025 C HN 0.290 nan 8.230 nan 0.000 0.468 1026 V N 0.595 120.578 119.914 0.114 0.000 2.324 1026 V HA -0.264 3.856 4.120 -0.001 0.000 0.250 1026 V C 2.414 178.561 176.094 0.088 0.000 1.060 1026 V CA 2.098 64.437 62.300 0.064 0.000 1.042 1026 V CB -0.748 31.171 31.823 0.161 0.000 0.650 1026 V HN 0.608 nan 8.190 nan 0.000 0.450 1027 E N -0.714 119.590 120.200 0.174 0.000 2.031 1027 E HA -0.225 4.125 4.350 -0.001 0.000 0.193 1027 E C 2.345 179.107 176.600 0.270 0.000 0.994 1027 E CA 1.504 58.040 56.400 0.228 0.000 0.800 1027 E CB -0.188 29.662 29.700 0.251 0.000 0.752 1027 E HN 0.425 nan 8.360 nan 0.000 0.447 1028 M N 0.245 119.970 119.600 0.208 0.000 2.067 1028 M HA -0.135 4.345 4.480 -0.001 0.000 0.260 1028 M C 2.539 178.858 176.300 0.032 0.000 1.069 1028 M CA 1.310 56.691 55.300 0.136 0.000 1.117 1028 M CB -1.180 31.417 32.600 -0.004 0.000 1.334 1028 M HN 0.073 nan 8.290 nan 0.000 0.407 1029 A N -1.129 121.674 122.820 -0.029 0.000 2.076 1029 A HA -0.227 4.093 4.320 -0.001 0.000 0.220 1029 A C 2.007 179.461 177.584 -0.217 0.000 1.160 1029 A CA 1.563 53.503 52.037 -0.161 0.000 0.653 1029 A CB -1.156 17.795 19.000 -0.082 0.000 0.801 1029 A HN 0.744 nan 8.150 nan 0.000 0.455 1030 W N 0.861 121.983 121.300 -0.296 0.000 2.441 1030 W HA -0.131 4.529 4.660 -0.001 0.000 0.302 1030 W C 2.297 178.655 176.519 -0.268 0.000 1.191 1030 W CA 1.817 58.960 57.345 -0.337 0.000 1.327 1030 W CB -0.224 29.070 29.460 -0.277 0.000 1.128 1030 W HN 0.398 nan 8.180 nan 0.000 0.522 1031 M N -0.639 118.903 119.600 -0.097 0.000 2.254 1031 M HA -0.013 4.466 4.480 -0.001 0.000 0.265 1031 M C 1.765 177.862 176.300 -0.338 0.000 1.066 1031 M CA 1.600 56.662 55.300 -0.397 0.000 1.123 1031 M CB -0.830 31.896 32.600 0.211 0.000 1.388 1031 M HN 0.008 nan 8.290 nan 0.000 0.425 1032 M N 1.158 120.635 119.600 -0.204 0.000 2.549 1032 M HA 0.084 4.564 4.480 -0.001 0.000 0.260 1032 M C 0.969 177.058 176.300 -0.352 0.000 1.076 1032 M CA 1.269 56.441 55.300 -0.213 0.000 1.090 1032 M CB -0.279 32.200 32.600 -0.202 0.000 1.418 1032 M HN 0.769 nan 8.290 nan 0.000 0.486 1033 G N 0.799 109.320 108.800 -0.466 0.000 2.171 1033 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.238 1033 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.238 1033 G C 0.390 175.015 174.900 -0.460 0.000 1.039 1033 G CA -0.096 44.712 45.100 -0.486 0.000 0.759 1033 G HN 0.485 nan 8.290 nan 0.000 0.501 1034 L N -0.569 120.332 121.223 -0.537 0.000 2.477 1034 L HA 0.432 4.771 4.340 -0.001 0.000 0.220 1034 L C 1.424 177.964 176.870 -0.550 0.000 1.106 1034 L CA 0.584 55.015 54.840 -0.682 0.000 0.851 1034 L CB -0.117 41.286 42.059 -1.094 0.000 0.994 1034 L HN 0.571 nan 8.230 nan 0.000 0.462 1035 I N -1.389 118.925 120.570 -0.427 0.000 2.656 1035 I HA 0.489 4.658 4.170 -0.001 0.000 0.292 1035 I C -1.208 174.787 176.117 -0.204 0.000 1.144 1035 I CA -0.826 60.308 61.300 -0.278 0.000 1.038 1035 I CB 2.230 40.002 38.000 -0.380 0.000 1.244 1035 I HN -0.030 nan 8.210 nan 0.000 0.420 1036 K N 3.216 123.648 120.400 0.052 0.000 2.426 1036 K HA 0.428 4.748 4.320 -0.001 0.000 0.251 1036 K C -1.274 175.635 176.600 0.514 0.000 0.941 1036 K CA -0.779 55.647 56.287 0.232 0.000 0.808 1036 K CB 2.289 34.831 32.500 0.070 0.000 1.265 1036 K HN 0.641 nan 8.250 nan 0.000 0.432 1037 N N 2.299 121.366 118.700 0.612 0.000 2.497 1037 N HA -0.031 4.709 4.740 -0.001 0.000 0.268 1037 N C -1.116 174.559 175.510 0.274 0.000 1.171 1037 N CA 0.198 53.474 53.050 0.377 0.000 0.948 1037 N CB 0.486 39.026 38.487 0.089 0.000 1.069 1037 N HN 0.644 nan 8.380 nan 0.000 0.460 1038 H N 3.244 122.401 119.070 0.145 0.000 2.622 1038 H HA 0.276 4.832 4.556 -0.000 0.000 0.363 1038 H C -1.212 174.138 175.328 0.037 0.000 1.151 1038 H CA -0.584 55.535 56.048 0.118 0.000 1.184 1038 H CB 1.283 31.165 29.762 0.199 0.000 1.643 1038 H HN 0.684 nan 8.280 nan 0.000 0.531 1039 N N 3.256 121.560 118.700 -0.660 0.000 2.732 1039 N HA 0.331 5.071 4.740 -0.001 0.000 0.247 1039 N C -1.379 173.846 175.510 -0.475 0.000 1.305 1039 N CA -0.138 52.638 53.050 -0.457 0.000 0.762 1039 N CB 0.909 39.248 38.487 -0.246 0.000 1.361 1039 N HN 0.906 nan 8.380 nan 0.000 0.545 1040 G N 1.894 110.425 108.800 -0.447 0.000 2.315 1040 G HA2 0.207 4.166 3.960 -0.001 0.000 0.294 1040 G HA3 0.207 4.166 3.960 -0.001 0.000 0.294 1040 G C -3.325 171.619 174.900 0.074 0.000 1.300 1040 G CA -0.669 44.332 45.100 -0.165 0.000 0.843 1040 G HN 0.096 nan 8.290 nan 0.000 0.527 1041 P HA 0.349 nan 4.420 nan 0.000 0.265 1041 P C -0.439 177.006 177.300 0.241 0.000 1.193 1041 P CA 0.049 63.241 63.100 0.154 0.000 0.765 1041 P CB 0.625 32.381 31.700 0.094 0.000 0.823 1042 L N 4.807 126.145 121.223 0.192 0.000 2.388 1042 L HA 0.262 4.602 4.340 -0.001 0.000 0.267 1042 L C 0.106 176.993 176.870 0.028 0.000 0.995 1042 L CA -0.541 54.361 54.840 0.103 0.000 0.864 1042 L CB 0.705 42.803 42.059 0.065 0.000 1.216 1042 L HN 0.535 nan 8.230 nan 0.000 0.430 1043 K N 2.877 123.285 120.400 0.014 0.000 3.239 1043 K HA -0.242 4.078 4.320 -0.001 0.000 0.270 1043 K C 0.833 177.443 176.600 0.017 0.000 1.049 1043 K CA 0.467 56.756 56.287 0.003 0.000 0.769 1043 K CB -1.360 31.129 32.500 -0.019 0.000 1.305 1043 K HN 1.129 nan 8.250 nan 0.000 0.469 1044 G N 0.745 109.563 108.800 0.031 0.000 5.347 1044 G HA2 -0.432 3.528 3.960 -0.001 0.000 0.299 1044 G HA3 -0.432 3.528 3.960 -0.001 0.000 0.299 1044 G C 0.071 174.998 174.900 0.046 0.000 1.492 1044 G CA 0.435 45.555 45.100 0.033 0.000 0.991 1044 G HN 0.430 nan 8.290 nan 0.000 0.749 1045 K N 3.234 123.660 120.400 0.044 0.000 2.491 1045 K HA 0.311 4.630 4.320 -0.001 0.000 0.279 1045 K C -2.002 174.655 176.600 0.095 0.000 1.026 1045 K CA -0.445 55.877 56.287 0.058 0.000 1.070 1045 K CB 0.452 32.983 32.500 0.051 0.000 0.887 1045 K HN 0.225 nan 8.250 nan 0.000 0.481 1046 P HA 0.056 nan 4.420 nan 0.000 0.271 1046 P C -1.552 175.877 177.300 0.214 0.000 1.244 1046 P CA 0.047 63.220 63.100 0.121 0.000 0.793 1046 P CB 0.239 31.976 31.700 0.063 0.000 0.984 1047 Y N -0.773 119.547 120.300 0.033 0.000 2.583 1047 Y HA 0.431 4.981 4.550 -0.000 0.000 0.330 1047 Y C -1.508 174.398 175.900 0.011 0.000 1.185 1047 Y CA -0.437 57.690 58.100 0.045 0.000 1.107 1047 Y CB 0.930 39.450 38.460 0.101 0.000 1.344 1047 Y HN 0.527 nan 8.280 nan 0.000 0.463 1048 S N 3.717 118.888 115.700 -0.881 0.000 2.595 1048 S HA 0.999 5.469 4.470 -0.001 0.000 0.281 1048 S C -0.254 173.767 174.600 -0.964 0.000 1.117 1048 S CA 0.071 57.846 58.200 -0.707 0.000 0.873 1048 S CB 1.699 64.667 63.200 -0.387 0.000 1.108 1048 S HN 2.372 nan 8.310 nan 0.000 0.477 1049 G N 0.633 109.135 108.800 -0.496 0.000 2.466 1049 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.316 1049 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.316 1049 G C -0.982 173.923 174.900 0.009 0.000 1.270 1049 G CA -0.595 44.285 45.100 -0.367 0.000 0.982 1049 G HN 0.929 nan 8.290 nan 0.000 0.506 1050 W N -0.581 120.809 121.300 0.150 0.000 2.193 1050 W HA 0.475 5.134 4.660 -0.001 0.000 0.338 1050 W C 0.556 177.239 176.519 0.273 0.000 1.310 1050 W CA -0.536 56.929 57.345 0.200 0.000 1.243 1050 W CB 0.973 30.537 29.460 0.173 0.000 1.165 1050 W HN 0.350 nan 8.180 nan 0.000 0.566 1051 V N 3.314 123.552 119.914 0.539 0.000 2.925 1051 V HA 0.062 4.182 4.120 -0.001 0.000 0.311 1051 V C -0.398 175.799 176.094 0.171 0.000 1.104 1051 V CA -0.912 61.571 62.300 0.305 0.000 0.954 1051 V CB 2.016 33.988 31.823 0.249 0.000 1.022 1051 V HN 0.344 nan 8.190 nan 0.000 0.427 1052 D N 2.631 123.095 120.400 0.106 0.000 2.417 1052 D HA 0.262 4.902 4.640 -0.001 0.000 0.250 1052 D C 0.943 177.225 176.300 -0.031 0.000 1.166 1052 D CA 0.659 54.688 54.000 0.049 0.000 0.881 1052 D CB 2.061 42.908 40.800 0.078 0.000 1.164 1052 D HN 0.656 nan 8.370 nan 0.000 0.467 1053 A N 5.861 128.615 122.820 -0.109 0.000 1.902 1053 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 1053 A C 1.990 179.507 177.584 -0.113 0.000 1.181 1053 A CA 1.110 53.070 52.037 -0.129 0.000 0.623 1053 A CB -0.088 18.787 19.000 -0.209 0.000 0.818 1053 A HN 0.527 nan 8.150 nan 0.000 0.443 1054 K N -0.384 119.946 120.400 -0.117 0.000 1.979 1054 K HA -0.038 4.282 4.320 -0.001 0.000 0.213 1054 K C 1.122 177.686 176.600 -0.060 0.000 1.036 1054 K CA 1.241 57.475 56.287 -0.089 0.000 0.954 1054 K CB -1.446 31.003 32.500 -0.085 0.000 0.743 1054 K HN 0.374 nan 8.250 nan 0.000 0.443 1055 T N 0.986 115.516 114.554 -0.040 0.000 2.769 1055 T HA 0.177 4.527 4.350 -0.001 0.000 0.293 1055 T C 1.172 175.847 174.700 -0.042 0.000 0.931 1055 T CA -0.094 61.986 62.100 -0.033 0.000 1.139 1055 T CB 0.579 69.438 68.868 -0.014 0.000 0.881 1055 T HN 0.387 nan 8.240 nan 0.000 0.532 1056 G N 4.397 113.161 108.800 -0.060 0.000 2.615 1056 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.213 1056 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.213 1056 G C 0.639 175.479 174.900 -0.100 0.000 1.135 1056 G CA 0.029 45.077 45.100 -0.088 0.000 0.772 1056 G HN 0.729 nan 8.290 nan 0.000 0.542 1057 E N 0.704 120.861 120.200 -0.071 0.000 2.425 1057 E HA 0.137 4.486 4.350 -0.001 0.000 0.258 1057 E C -2.216 174.340 176.600 -0.073 0.000 1.151 1057 E CA -1.424 54.925 56.400 -0.084 0.000 0.958 1057 E CB 0.221 29.889 29.700 -0.052 0.000 0.968 1057 E HN 0.098 nan 8.360 nan 0.000 0.451 1058 P HA 0.242 nan 4.420 nan 0.000 0.278 1058 P C -0.826 176.505 177.300 0.053 0.000 1.258 1058 P CA -0.441 62.604 63.100 -0.092 0.000 0.811 1058 P CB 0.838 32.246 31.700 -0.486 0.000 1.063 1059 V N 1.426 121.457 119.914 0.194 0.000 2.733 1059 V HA 0.259 4.379 4.120 -0.001 0.000 0.306 1059 V C -0.664 175.571 176.094 0.236 0.000 1.084 1059 V CA -0.588 61.816 62.300 0.174 0.000 0.905 1059 V CB 2.100 34.028 31.823 0.175 0.000 1.010 1059 V HN 0.441 nan 8.190 nan 0.000 0.424 1060 D N 2.680 123.172 120.400 0.152 0.000 2.256 1060 D HA 0.236 4.875 4.640 -0.001 0.000 0.250 1060 D C 0.591 176.985 176.300 0.158 0.000 1.093 1060 D CA -0.190 53.907 54.000 0.162 0.000 0.882 1060 D CB 1.884 42.747 40.800 0.104 0.000 1.185 1060 D HN 0.562 nan 8.370 nan 0.000 0.437 1061 D N 1.181 121.708 120.400 0.211 0.000 2.149 1061 D HA -0.235 4.405 4.640 -0.001 0.000 0.194 1061 D C 1.885 178.253 176.300 0.114 0.000 1.001 1061 D CA 1.542 55.666 54.000 0.207 0.000 0.849 1061 D CB -0.006 40.927 40.800 0.221 0.000 0.939 1061 D HN 0.555 nan 8.370 nan 0.000 0.449 1062 K N 0.400 120.853 120.400 0.088 0.000 2.211 1062 K HA -0.155 4.164 4.320 -0.001 0.000 0.204 1062 K C 0.787 177.401 176.600 0.023 0.000 1.047 1062 K CA 1.563 57.883 56.287 0.055 0.000 0.935 1062 K CB 0.041 32.570 32.500 0.049 0.000 0.728 1062 K HN 0.066 nan 8.250 nan 0.000 0.452 1063 D N 0.799 121.202 120.400 0.004 0.000 2.327 1063 D HA -0.026 4.613 4.640 -0.001 0.000 0.205 1063 D C 2.037 178.257 176.300 -0.133 0.000 0.989 1063 D CA 0.366 54.333 54.000 -0.055 0.000 0.873 1063 D CB 0.004 40.767 40.800 -0.061 0.000 0.955 1063 D HN 0.031 nan 8.370 nan 0.000 0.515 1064 V N 1.629 121.478 119.914 -0.108 0.000 2.250 1064 V HA -0.345 3.774 4.120 -0.001 0.000 0.253 1064 V C 2.552 178.543 176.094 -0.172 0.000 1.065 1064 V CA 2.045 64.236 62.300 -0.181 0.000 1.039 1064 V CB -0.372 31.440 31.823 -0.019 0.000 0.647 1064 V HN 0.159 nan 8.190 nan 0.000 0.446 1065 K N -0.668 119.698 120.400 -0.056 0.000 2.063 1065 K HA -0.188 4.131 4.320 -0.001 0.000 0.208 1065 K C 2.166 178.741 176.600 -0.043 0.000 1.048 1065 K CA 1.551 57.829 56.287 -0.015 0.000 0.928 1065 K CB -0.375 32.141 32.500 0.027 0.000 0.713 1065 K HN 0.486 nan 8.250 nan 0.000 0.442 1066 A N 1.437 124.214 122.820 -0.071 0.000 1.835 1066 A HA -0.211 4.109 4.320 -0.001 0.000 0.215 1066 A C 1.936 179.458 177.584 -0.103 0.000 1.199 1066 A CA 1.770 53.768 52.037 -0.066 0.000 0.615 1066 A CB -0.536 18.427 19.000 -0.062 0.000 0.838 1066 A HN 0.256 nan 8.150 nan 0.000 0.444 1067 K N -1.437 118.816 120.400 -0.245 0.000 1.971 1067 K HA -0.195 4.125 4.320 -0.001 0.000 0.221 1067 K C 1.895 178.420 176.600 -0.125 0.000 1.050 1067 K CA 2.262 58.348 56.287 -0.335 0.000 0.967 1067 K CB -0.483 31.469 32.500 -0.912 0.000 0.733 1067 K HN 0.628 nan 8.250 nan 0.000 0.445 1068 Y N 0.512 120.805 120.300 -0.011 0.000 2.490 1068 Y HA 0.048 4.598 4.550 -0.001 0.000 0.285 1068 Y C 2.135 178.050 175.900 0.026 0.000 1.117 1068 Y CA 0.119 58.207 58.100 -0.020 0.000 1.262 1068 Y CB -0.589 37.803 38.460 -0.113 0.000 1.043 1068 Y HN 0.280 nan 8.280 nan 0.000 0.553 1069 E N 1.543 121.815 120.200 0.119 0.000 2.070 1069 E HA -0.329 4.021 4.350 -0.001 0.000 0.197 1069 E C 2.197 178.866 176.600 0.115 0.000 1.004 1069 E CA 1.929 58.378 56.400 0.081 0.000 0.805 1069 E CB -0.004 29.730 29.700 0.057 0.000 0.744 1069 E HN 0.426 nan 8.360 nan 0.000 0.451 1070 K N -0.233 120.241 120.400 0.123 0.000 2.020 1070 K HA -0.280 4.039 4.320 -0.001 0.000 0.212 1070 K C 2.147 178.842 176.600 0.158 0.000 1.050 1070 K CA 1.954 58.311 56.287 0.117 0.000 0.929 1070 K CB -0.628 31.933 32.500 0.102 0.000 0.714 1070 K HN 0.335 nan 8.250 nan 0.000 0.443 1071 Y N 1.149 121.500 120.300 0.086 0.000 2.089 1071 Y HA -0.235 4.315 4.550 -0.001 0.000 0.282 1071 Y C 1.968 177.926 175.900 0.098 0.000 1.139 1071 Y CA 2.096 60.271 58.100 0.125 0.000 1.123 1071 Y CB -0.093 38.442 38.460 0.126 0.000 0.980 1071 Y HN 0.039 nan 8.280 nan 0.000 0.493 1072 I N 0.390 121.220 120.570 0.435 0.000 2.145 1072 I HA -0.400 3.770 4.170 -0.001 0.000 0.244 1072 I C 2.274 178.464 176.117 0.122 0.000 1.075 1072 I CA 1.837 63.276 61.300 0.231 0.000 1.332 1072 I CB -0.820 37.170 38.000 -0.016 0.000 1.033 1072 I HN 0.375 nan 8.210 nan 0.000 0.410 1073 L N 0.155 121.434 121.223 0.094 0.000 2.141 1073 L HA -0.169 4.171 4.340 -0.001 0.000 0.209 1073 L C 2.595 179.488 176.870 0.038 0.000 1.094 1073 L CA 1.218 56.137 54.840 0.132 0.000 0.763 1073 L CB -0.594 41.572 42.059 0.179 0.000 0.908 1073 L HN 0.303 nan 8.230 nan 0.000 0.437 1074 E N -0.599 119.583 120.200 -0.030 0.000 2.285 1074 E HA -0.167 4.183 4.350 -0.001 0.000 0.194 1074 E C 1.111 177.468 176.600 -0.404 0.000 0.997 1074 E CA 0.676 56.949 56.400 -0.211 0.000 0.845 1074 E CB 0.251 29.781 29.700 -0.284 0.000 0.782 1074 E HN 0.571 nan 8.360 nan 0.000 0.491 1075 H N -0.229 118.769 119.070 -0.120 0.000 2.486 1075 H HA 0.225 4.780 4.556 -0.001 0.000 0.284 1075 H C -0.241 175.031 175.328 -0.094 0.000 1.103 1075 H CA 0.297 56.281 56.048 -0.107 0.000 1.089 1075 H CB 0.640 30.355 29.762 -0.078 0.000 1.603 1075 H HN 0.056 nan 8.280 nan 0.000 0.557 1076 S N -1.455 114.163 115.700 -0.136 0.000 2.651 1076 S HA 0.734 5.204 4.470 -0.001 0.000 0.279 1076 S C 0.441 174.580 174.600 -0.769 0.000 1.148 1076 S CA -0.294 57.678 58.200 -0.380 0.000 0.837 1076 S CB 3.219 66.204 63.200 -0.359 0.000 1.138 1076 S HN 0.465 nan 8.310 nan 0.000 0.478 1077 G N 0.377 108.478 108.800 -1.164 0.000 2.512 1077 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.210 1077 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.210 1077 G C -0.929 173.715 174.900 -0.426 0.000 1.295 1077 G CA -0.488 43.892 45.100 -1.201 0.000 0.934 1077 G HN 1.135 nan 8.290 nan 0.000 0.554 1078 I N 2.475 122.961 120.570 -0.141 0.000 2.337 1078 I HA 0.470 4.640 4.170 -0.001 0.000 0.291 1078 I C 1.088 177.170 176.117 -0.060 0.000 1.046 1078 I CA -0.253 61.009 61.300 -0.063 0.000 1.324 1078 I CB 0.608 38.620 38.000 0.020 0.000 1.409 1078 I HN 0.728 nan 8.210 nan 0.000 0.494 1079 R N 5.259 125.718 120.500 -0.067 0.000 2.947 1079 R HA 0.659 4.999 4.340 -0.001 0.000 0.253 1079 R C -1.146 175.152 176.300 -0.003 0.000 1.208 1079 R CA -1.172 54.904 56.100 -0.039 0.000 1.012 1079 R CB 1.041 31.298 30.300 -0.071 0.000 1.267 1079 R HN 0.293 nan 8.270 nan 0.000 0.473 1080 L N 1.828 123.066 121.223 0.025 0.000 2.453 1080 L HA 0.187 4.527 4.340 -0.001 0.000 0.272 1080 L C 0.465 177.367 176.870 0.052 0.000 1.182 1080 L CA -0.183 54.685 54.840 0.048 0.000 0.858 1080 L CB 0.326 42.408 42.059 0.039 0.000 1.120 1080 L HN 0.405 nan 8.230 nan 0.000 0.474 1081 I N 3.757 124.364 120.570 0.062 0.000 2.741 1081 I HA -0.080 4.090 4.170 -0.001 0.000 0.288 1081 I C 0.448 176.676 176.117 0.184 0.000 1.192 1081 I CA 0.509 61.887 61.300 0.131 0.000 1.426 1081 I CB -0.030 38.050 38.000 0.135 0.000 1.367 1081 I HN 0.609 nan 8.210 nan 0.000 0.563 1082 E N 8.747 129.120 120.200 0.289 0.000 2.115 1082 E HA 0.193 4.543 4.350 -0.001 0.000 0.282 1082 E C -1.788 175.020 176.600 0.347 0.000 0.987 1082 E CA -1.683 54.864 56.400 0.244 0.000 0.797 1082 E CB 1.265 31.082 29.700 0.194 0.000 1.086 1082 E HN 0.401 nan 8.360 nan 0.000 0.397 1083 P HA -0.153 nan 4.420 nan 0.000 0.219 1083 P C 0.617 178.066 177.300 0.250 0.000 1.150 1083 P CA 0.977 64.250 63.100 0.288 0.000 0.814 1083 P CB 0.304 32.096 31.700 0.154 0.000 0.787 1084 E N 0.253 120.544 120.200 0.151 0.000 2.130 1084 E HA -0.163 4.186 4.350 -0.001 0.000 0.196 1084 E C 1.684 178.310 176.600 0.043 0.000 0.998 1084 E CA 0.965 57.414 56.400 0.082 0.000 0.806 1084 E CB -0.849 28.878 29.700 0.045 0.000 0.738 1084 E HN 0.308 nan 8.360 nan 0.000 0.459 1085 L N -0.418 120.811 121.223 0.011 0.000 2.610 1085 L HA 0.020 4.359 4.340 -0.001 0.000 0.232 1085 L C 0.646 177.175 176.870 -0.568 0.000 1.149 1085 L CA 0.391 55.068 54.840 -0.272 0.000 0.872 1085 L CB 0.112 41.946 42.059 -0.375 0.000 0.992 1085 L HN 0.071 nan 8.230 nan 0.000 0.447 1086 F N -0.954 119.102 119.950 0.178 0.000 2.777 1086 F HA 0.343 4.869 4.527 -0.001 0.000 0.361 1086 F C 1.384 177.272 175.800 0.146 0.000 1.254 1086 F CA -0.427 57.686 58.000 0.188 0.000 1.181 1086 F CB 0.532 39.705 39.000 0.288 0.000 1.082 1086 F HN -0.029 nan 8.300 nan 0.000 0.510 1087 G N 0.657 109.573 108.800 0.193 0.000 2.321 1087 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.287 1087 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.287 1087 G C 1.232 176.229 174.900 0.161 0.000 1.018 1087 G CA 0.585 45.769 45.100 0.139 0.000 0.855 1087 G HN 1.379 nan 8.290 nan 0.000 0.507 1088 G N -2.295 106.627 108.800 0.203 0.000 2.184 1088 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.206 1088 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.206 1088 G C 0.427 175.456 174.900 0.215 0.000 0.995 1088 G CA 0.322 45.524 45.100 0.170 0.000 0.651 1088 G HN 1.849 nan 8.290 nan 0.000 0.511 1089 Y N 2.351 122.744 120.300 0.156 0.000 2.811 1089 Y HA 0.430 4.980 4.550 -0.000 0.000 0.334 1089 Y C -0.127 175.846 175.900 0.122 0.000 1.247 1089 Y CA 0.399 58.569 58.100 0.116 0.000 1.526 1089 Y CB 0.797 39.314 38.460 0.096 0.000 1.284 1089 Y HN 0.156 nan 8.280 nan 0.000 0.586 1090 D N 7.862 127.983 120.400 -0.465 0.000 2.478 1090 D HA 0.259 4.899 4.640 -0.001 0.000 0.240 1090 D C -2.446 173.509 176.300 -0.576 0.000 1.364 1090 D CA -1.955 51.790 54.000 -0.426 0.000 0.987 1090 D CB 1.998 42.711 40.800 -0.144 0.000 1.328 1090 D HN 0.236 nan 8.370 nan 0.000 0.584 1091 P HA -0.040 nan 4.420 nan 0.000 0.226 1091 P C 0.840 178.132 177.300 -0.013 0.000 1.146 1091 P CA 0.621 63.576 63.100 -0.241 0.000 0.773 1091 P CB 0.342 32.029 31.700 -0.020 0.000 0.772 1092 N N -0.136 118.518 118.700 -0.077 0.000 2.467 1092 N HA -0.016 4.724 4.740 -0.001 0.000 0.184 1092 N C 0.591 176.094 175.510 -0.012 0.000 1.106 1092 N CA 0.526 53.560 53.050 -0.027 0.000 0.892 1092 N CB 0.098 38.554 38.487 -0.052 0.000 0.969 1092 N HN 0.343 nan 8.380 nan 0.000 0.454 1093 R N -0.186 120.296 120.500 -0.030 0.000 2.684 1093 R HA 0.272 4.612 4.340 -0.001 0.000 0.252 1093 R C -0.833 175.465 176.300 -0.004 0.000 1.628 1093 R CA -0.690 55.404 56.100 -0.010 0.000 1.622 1093 R CB -0.006 30.284 30.300 -0.016 0.000 1.418 1093 R HN -0.282 nan 8.270 nan 0.000 0.697 1094 K N 2.325 122.740 120.400 0.025 0.000 2.419 1094 K HA -0.060 4.259 4.320 -0.001 0.000 0.282 1094 K C -0.300 176.289 176.600 -0.020 0.000 1.056 1094 K CA 0.269 56.569 56.287 0.021 0.000 1.035 1094 K CB 0.695 33.199 32.500 0.007 0.000 0.921 1094 K HN 0.517 nan 8.250 nan 0.000 0.472 1095 Q N 5.041 124.828 119.800 -0.022 0.000 2.286 1095 Q HA 0.320 4.659 4.340 -0.001 0.000 0.257 1095 Q C -0.939 175.016 176.000 -0.075 0.000 0.941 1095 Q CA -0.420 55.364 55.803 -0.033 0.000 0.912 1095 Q CB 0.587 29.319 28.738 -0.010 0.000 1.192 1095 Q HN 0.598 nan 8.270 nan 0.000 0.410 1096 L N 3.615 124.802 121.223 -0.060 0.000 2.257 1096 L HA 0.605 4.944 4.340 -0.001 0.000 0.257 1096 L C -0.758 176.093 176.870 -0.032 0.000 1.033 1096 L CA -1.312 53.487 54.840 -0.068 0.000 0.835 1096 L CB 1.827 43.843 42.059 -0.071 0.000 1.398 1096 L HN 0.661 nan 8.230 nan 0.000 0.429 1097 L N 0.981 122.190 121.223 -0.023 0.000 2.362 1097 L HA 0.532 4.871 4.340 -0.001 0.000 0.271 1097 L C -0.682 176.189 176.870 0.002 0.000 1.002 1097 L CA -0.495 54.345 54.840 -0.000 0.000 0.818 1097 L CB 2.090 44.161 42.059 0.021 0.000 1.298 1097 L HN 0.555 nan 8.230 nan 0.000 0.420 1098 Q N 2.082 121.887 119.800 0.008 0.000 2.340 1098 Q HA 0.288 4.628 4.340 -0.001 0.000 0.268 1098 Q C -1.042 174.970 176.000 0.020 0.000 1.031 1098 Q CA -0.671 55.139 55.803 0.011 0.000 0.804 1098 Q CB 1.965 30.707 28.738 0.007 0.000 1.286 1098 Q HN 0.526 nan 8.270 nan 0.000 0.448 1099 E N 2.288 122.502 120.200 0.025 0.000 2.299 1099 E HA 0.158 4.508 4.350 -0.001 0.000 0.272 1099 E C -0.967 175.649 176.600 0.027 0.000 1.043 1099 E CA -0.034 56.386 56.400 0.033 0.000 0.895 1099 E CB 1.122 30.844 29.700 0.037 0.000 1.011 1099 E HN 0.286 nan 8.360 nan 0.000 0.432 1100 V N 4.206 124.137 119.914 0.027 0.000 2.487 1100 V HA 0.131 4.251 4.120 -0.001 0.000 0.298 1100 V C -0.022 176.086 176.094 0.023 0.000 1.028 1100 V CA -0.875 61.437 62.300 0.020 0.000 0.860 1100 V CB 1.917 33.748 31.823 0.013 0.000 0.991 1100 V HN 0.396 nan 8.190 nan 0.000 0.427 1101 V N 6.760 126.686 119.914 0.020 0.000 2.339 1101 V HA 0.271 4.391 4.120 -0.001 0.000 0.261 1101 V C 0.530 176.629 176.094 0.009 0.000 1.058 1101 V CA -0.264 62.048 62.300 0.020 0.000 0.897 1101 V CB 0.777 32.613 31.823 0.022 0.000 1.052 1101 V HN 0.794 nan 8.190 nan 0.000 0.480 1102 I N 2.023 122.594 120.570 0.001 0.000 2.815 1102 I HA 0.119 4.289 4.170 -0.001 0.000 0.291 1102 I C 0.562 176.675 176.117 -0.006 0.000 1.209 1102 I CA 0.480 61.776 61.300 -0.007 0.000 1.431 1102 I CB 0.517 38.506 38.000 -0.018 0.000 1.351 1102 I HN 0.606 nan 8.210 nan 0.000 0.585 1103 E N 3.850 124.047 120.200 -0.005 0.000 2.603 1103 E HA 0.244 4.593 4.350 -0.001 0.000 0.211 1103 E C -0.660 175.937 176.600 -0.005 0.000 0.995 1103 E CA -0.110 56.288 56.400 -0.003 0.000 0.990 1103 E CB 0.678 30.378 29.700 0.001 0.000 1.036 1103 E HN 0.675 nan 8.360 nan 0.000 0.475 1104 Q N 0.640 120.435 119.800 -0.009 0.000 2.340 1104 Q HA 0.157 4.496 4.340 -0.001 0.000 0.276 1104 Q C -1.497 174.494 176.000 -0.015 0.000 1.048 1104 Q CA -0.901 54.896 55.803 -0.010 0.000 0.832 1104 Q CB 2.058 30.791 28.738 -0.007 0.000 1.373 1104 Q HN 0.035 nan 8.270 nan 0.000 0.409 1105 D N 1.616 122.007 120.400 -0.016 0.000 2.667 1105 D HA -0.047 4.592 4.640 -0.001 0.000 0.226 1105 D C -0.602 175.686 176.300 -0.020 0.000 1.137 1105 D CA 0.963 54.950 54.000 -0.021 0.000 0.855 1105 D CB 0.508 41.299 40.800 -0.016 0.000 1.194 1105 D HN 0.272 nan 8.370 nan 0.000 0.492 1106 L N 1.473 122.681 121.223 -0.025 0.000 2.334 1106 L HA 0.308 4.648 4.340 -0.001 0.000 0.270 1106 L C 0.352 177.221 176.870 -0.001 0.000 1.018 1106 L CA -0.932 53.901 54.840 -0.012 0.000 0.811 1106 L CB 1.534 43.586 42.059 -0.012 0.000 1.271 1106 L HN 0.236 nan 8.230 nan 0.000 0.443 1107 E N 2.788 122.999 120.200 0.019 0.000 2.383 1107 E HA 0.206 4.556 4.350 -0.001 0.000 0.264 1107 E C -2.352 174.282 176.600 0.057 0.000 1.050 1107 E CA -1.235 55.182 56.400 0.028 0.000 0.896 1107 E CB 0.734 30.453 29.700 0.031 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 -1.136 176.187 177.300 0.038 0.000 1.227 1108 P CA 0.065 63.131 63.100 -0.057 0.000 0.781 1108 P CB 0.288 31.959 31.700 -0.047 0.000 0.906 1109 F N -1.334 118.582 119.950 -0.056 0.000 2.620 1109 F HA 0.624 5.151 4.527 -0.001 0.000 0.320 1109 F C -0.124 175.670 175.800 -0.010 0.000 1.069 1109 F CA -1.459 56.517 58.000 -0.040 0.000 0.953 1109 F CB 1.095 40.057 39.000 -0.063 0.000 1.322 1109 F HN 0.160 nan 8.300 nan 0.000 0.479 1110 E N 0.820 121.158 120.200 0.230 0.000 2.345 1110 E HA 0.674 5.023 4.350 -0.001 0.000 0.259 1110 E C -0.793 175.959 176.600 0.254 0.000 1.117 1110 E CA -0.718 55.777 56.400 0.157 0.000 0.913 1110 E CB 1.450 31.228 29.700 0.131 0.000 1.057 1110 E HN 0.905 nan 8.360 nan 0.000 0.432 1111 A N 0.956 123.895 122.820 0.198 0.000 2.597 1111 A HA 0.411 4.731 4.320 -0.001 0.000 0.292 1111 A C -0.569 177.128 177.584 0.189 0.000 1.057 1111 A CA -0.731 51.448 52.037 0.237 0.000 0.674 1111 A CB 1.095 20.262 19.000 0.279 0.000 1.278 1111 A HN 0.584 nan 8.150 nan 0.000 0.416 1112 S N 0.486 116.275 115.700 0.147 0.000 2.600 1112 S HA 0.261 4.730 4.470 -0.001 0.000 0.265 1112 S C 1.100 175.735 174.600 0.058 0.000 1.325 1112 S CA 0.574 58.838 58.200 0.106 0.000 1.002 1112 S CB 0.945 64.181 63.200 0.061 0.000 0.921 1112 S HN 1.010 nan 8.310 nan 0.000 0.554 1113 K N 0.916 121.339 120.400 0.038 0.000 2.032 1113 K HA -0.175 4.144 4.320 -0.001 0.000 0.209 1113 K C 1.999 178.439 176.600 -0.267 0.000 1.048 1113 K CA 1.815 57.969 56.287 -0.222 0.000 0.927 1113 K CB -0.315 32.151 32.500 -0.057 0.000 0.712 1113 K HN 0.778 nan 8.250 nan 0.000 0.441 1114 E N 0.550 120.676 120.200 -0.122 0.000 2.021 1114 E HA -0.270 4.080 4.350 -0.001 0.000 0.200 1114 E C 2.275 178.800 176.600 -0.125 0.000 1.015 1114 E CA 1.809 58.140 56.400 -0.115 0.000 0.824 1114 E CB -0.160 29.496 29.700 -0.073 0.000 0.762 1114 E HN 0.440 nan 8.360 nan 0.000 0.454 1115 Q N 0.116 119.868 119.800 -0.080 0.000 2.096 1115 Q HA -0.240 4.100 4.340 -0.001 0.000 0.208 1115 Q C 2.222 178.222 176.000 -0.002 0.000 0.993 1115 Q CA 1.552 57.304 55.803 -0.085 0.000 0.862 1115 Q CB -0.312 28.458 28.738 0.054 0.000 0.915 1115 Q HN 0.267 nan 8.270 nan 0.000 0.416 1116 A N 1.591 124.440 122.820 0.049 0.000 1.859 1116 A HA -0.298 4.022 4.320 -0.001 0.000 0.217 1116 A C 1.906 179.482 177.584 -0.014 0.000 1.198 1116 A CA 1.952 54.023 52.037 0.057 0.000 0.629 1116 A CB -0.716 18.156 19.000 -0.212 0.000 0.830 1116 A HN 0.420 nan 8.150 nan 0.000 0.446 1117 E N -0.316 119.786 120.200 -0.163 0.000 2.049 1117 E HA -0.276 4.074 4.350 -0.001 0.000 0.198 1117 E C 1.985 178.536 176.600 -0.081 0.000 1.007 1117 E CA 1.611 57.931 56.400 -0.133 0.000 0.809 1117 E CB -0.404 29.201 29.700 -0.158 0.000 0.749 1117 E HN 0.779 nan 8.360 nan 0.000 0.450 1118 E N 0.282 120.404 120.200 -0.130 0.000 2.070 1118 E HA -0.201 4.149 4.350 -0.001 0.000 0.197 1118 E C 1.953 178.476 176.600 -0.129 0.000 1.004 1118 E CA 1.319 57.610 56.400 -0.182 0.000 0.805 1118 E CB -0.312 29.205 29.700 -0.304 0.000 0.744 1118 E HN 0.245 nan 8.360 nan 0.000 0.451 1119 F N 0.901 120.846 119.950 -0.008 0.000 2.134 1119 F HA -0.215 4.312 4.527 -0.001 0.000 0.299 1119 F C 2.503 178.350 175.800 0.077 0.000 1.097 1119 F CA 1.074 59.116 58.000 0.071 0.000 1.264 1119 F CB -0.023 39.030 39.000 0.088 0.000 1.001 1119 F HN -0.086 nan 8.300 nan 0.000 0.479 1120 K N 0.955 121.476 120.400 0.200 0.000 2.148 1120 K HA -0.148 4.172 4.320 -0.001 0.000 0.204 1120 K C 2.039 178.667 176.600 0.047 0.000 1.050 1120 K CA 1.122 57.465 56.287 0.094 0.000 0.942 1120 K CB -0.294 32.210 32.500 0.006 0.000 0.724 1120 K HN 0.028 nan 8.250 nan 0.000 0.446 1121 R N 0.061 120.565 120.500 0.006 0.000 2.096 1121 R HA -0.162 4.178 4.340 -0.001 0.000 0.235 1121 R C 1.819 178.091 176.300 -0.047 0.000 1.127 1121 R CA 1.894 57.976 56.100 -0.031 0.000 0.968 1121 R CB -0.115 30.150 30.300 -0.058 0.000 0.861 1121 R HN 0.269 nan 8.270 nan 0.000 0.440 1122 E N -0.906 119.250 120.200 -0.074 0.000 2.140 1122 E HA -0.104 4.245 4.350 -0.001 0.000 0.191 1122 E C 1.435 177.888 176.600 -0.245 0.000 0.973 1122 E CA 1.288 57.570 56.400 -0.196 0.000 0.829 1122 E CB 0.127 29.638 29.700 -0.315 0.000 0.781 1122 E HN 0.461 nan 8.360 nan 0.000 0.466 1123 H N -1.110 117.988 119.070 0.047 0.000 2.476 1123 H HA 0.257 4.813 4.556 -0.001 0.000 0.292 1123 H C 1.608 176.944 175.328 0.013 0.000 1.019 1123 H CA 0.841 56.910 56.048 0.035 0.000 1.330 1123 H CB 0.264 30.053 29.762 0.046 0.000 1.451 1123 H HN 0.305 nan 8.280 nan 0.000 0.535 1124 G N 2.400 111.272 108.800 0.120 0.000 3.024 1124 G HA2 -0.445 3.515 3.960 -0.001 0.000 0.339 1124 G HA3 -0.445 3.515 3.960 -0.001 0.000 0.339 1124 G C 1.095 176.018 174.900 0.038 0.000 1.200 1124 G CA 0.993 46.124 45.100 0.051 0.000 0.968 1124 G HN 0.398 nan 8.290 nan 0.000 0.593 1125 D N 0.911 121.334 120.400 0.037 0.000 2.182 1125 D HA -0.021 4.619 4.640 -0.001 0.000 0.201 1125 D C 2.226 178.538 176.300 0.021 0.000 0.986 1125 D CA 1.537 55.552 54.000 0.025 0.000 0.847 1125 D CB -0.113 40.702 40.800 0.026 0.000 0.942 1125 D HN 0.372 nan 8.370 nan 0.000 0.467 1126 K N -0.409 120.017 120.400 0.042 0.000 2.410 1126 K HA 0.212 4.532 4.320 -0.001 0.000 0.200 1126 K C -0.533 176.043 176.600 -0.041 0.000 1.023 1126 K CA -0.075 56.218 56.287 0.011 0.000 1.149 1126 K CB 0.993 33.513 32.500 0.033 0.000 0.859 1126 K HN -0.107 nan 8.250 nan 0.000 0.514 1127 V N 0.332 120.232 119.914 -0.025 0.000 2.971 1127 V HA 0.338 4.457 4.120 -0.001 0.000 0.309 1127 V C -1.007 175.018 176.094 -0.115 0.000 1.130 1127 V CA -1.069 61.182 62.300 -0.082 0.000 0.964 1127 V CB 2.587 34.384 31.823 -0.044 0.000 1.029 1127 V HN 0.041 nan 8.190 nan 0.000 0.427 1128 E N 4.038 124.128 120.200 -0.183 0.000 2.199 1128 E HA 0.656 5.005 4.350 -0.001 0.000 0.265 1128 E C -1.136 175.201 176.600 -0.438 0.000 0.882 1128 E CA -0.515 55.690 56.400 -0.325 0.000 0.759 1128 E CB 2.548 32.107 29.700 -0.234 0.000 1.148 1128 E HN 0.690 nan 8.360 nan 0.000 0.412 1129 I N -0.646 119.590 120.570 -0.557 0.000 2.569 1129 I HA 0.665 4.834 4.170 -0.001 0.000 0.296 1129 I C -1.102 174.683 176.117 -0.553 0.000 1.028 1129 I CA -0.938 60.134 61.300 -0.381 0.000 1.082 1129 I CB 1.089 39.027 38.000 -0.103 0.000 1.264 1129 I HN 0.273 nan 8.210 nan 0.000 0.429 1130 F N 1.820 121.847 119.950 0.128 0.000 2.588 1130 F HA 0.453 4.980 4.527 -0.001 0.000 0.310 1130 F C 0.320 175.927 175.800 -0.322 0.000 1.082 1130 F CA -0.765 57.230 58.000 -0.008 0.000 0.929 1130 F CB 1.724 40.690 39.000 -0.058 0.000 1.254 1130 F HN 0.531 nan 8.300 nan 0.000 0.455 1131 E N 1.726 121.690 120.200 -0.393 0.000 2.398 1131 E HA 0.232 4.581 4.350 -0.001 0.000 0.263 1131 E C -0.635 175.756 176.600 -0.348 0.000 1.046 1131 E CA -0.008 55.905 56.400 -0.812 0.000 0.908 1131 E CB 0.867 30.256 29.700 -0.518 0.000 0.963 1131 E HN 0.435 nan 8.360 nan 0.000 0.431 1132 I N 5.489 125.874 120.570 -0.308 0.000 2.301 1132 I HA 0.071 4.240 4.170 -0.001 0.000 0.292 1132 I C -1.627 174.416 176.117 -0.124 0.000 1.046 1132 I CA -1.942 59.271 61.300 -0.145 0.000 1.282 1132 I CB 1.086 39.037 38.000 -0.082 0.000 1.409 1132 I HN 0.316 nan 8.210 nan 0.000 0.484 1133 P HA -0.177 nan 4.420 nan 0.000 0.217 1133 P C 0.733 178.002 177.300 -0.051 0.000 1.148 1133 P CA 1.473 64.529 63.100 -0.074 0.000 0.828 1133 P CB 0.309 31.973 31.700 -0.061 0.000 0.783 1134 E N -0.997 119.177 120.200 -0.044 0.000 2.024 1134 E HA -0.061 4.289 4.350 -0.001 0.000 0.190 1134 E C 1.837 178.426 176.600 -0.018 0.000 0.974 1134 E CA 1.616 58.000 56.400 -0.027 0.000 0.810 1134 E CB -1.078 28.608 29.700 -0.023 0.000 0.775 1134 E HN 0.247 nan 8.360 nan 0.000 0.453 1135 T N -2.259 112.285 114.554 -0.016 0.000 3.129 1135 T HA 0.264 4.614 4.350 -0.001 0.000 0.251 1135 T C 1.605 176.310 174.700 0.009 0.000 1.117 1135 T CA 0.314 62.414 62.100 -0.000 0.000 1.034 1135 T CB 0.346 69.219 68.868 0.008 0.000 0.968 1135 T HN 0.406 nan 8.240 nan 0.000 0.526 1136 G N 0.820 109.615 108.800 -0.009 0.000 2.184 1136 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.264 1136 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.264 1136 G C 0.236 175.169 174.900 0.054 0.000 0.975 1136 G CA 0.285 45.392 45.100 0.011 0.000 0.642 1136 G HN 0.588 nan 8.290 nan 0.000 0.536 1137 Q N -1.006 118.818 119.800 0.040 0.000 2.370 1137 Q HA 0.697 5.037 4.340 -0.001 0.000 0.186 1137 Q C 0.098 176.149 176.000 0.086 0.000 1.093 1137 Q CA 0.005 55.881 55.803 0.121 0.000 1.142 1137 Q CB 0.349 29.140 28.738 0.088 0.000 1.175 1137 Q HN 0.490 nan 8.270 nan 0.000 0.625 1138 Y N -1.392 118.924 120.300 0.027 0.000 2.705 1138 Y HA 0.421 4.971 4.550 -0.001 0.000 0.332 1138 Y C -0.198 175.687 175.900 -0.025 0.000 1.157 1138 Y CA -0.746 57.361 58.100 0.012 0.000 1.091 1138 Y CB 2.276 40.738 38.460 0.004 0.000 1.301 1138 Y HN 0.545 nan 8.280 nan 0.000 0.488 1139 T N -0.805 113.813 114.554 0.107 0.000 2.881 1139 T HA 0.731 5.081 4.350 -0.001 0.000 0.290 1139 T C -1.725 172.852 174.700 -0.205 0.000 1.000 1139 T CA -0.695 61.371 62.100 -0.056 0.000 0.978 1139 T CB 0.847 69.716 68.868 0.003 0.000 0.997 1139 T HN 0.361 nan 8.240 nan 0.000 0.443 1140 V N 3.639 123.228 119.914 -0.542 0.000 2.448 1140 V HA 0.683 4.803 4.120 -0.001 0.000 0.295 1140 V C 0.094 175.785 176.094 -0.672 0.000 1.025 1140 V CA -0.931 60.926 62.300 -0.739 0.000 0.859 1140 V CB 1.523 32.586 31.823 -1.267 0.000 0.988 1140 V HN 0.996 nan 8.190 nan 0.000 0.431 1141 R N 3.976 124.250 120.500 -0.377 0.000 2.473 1141 R HA 0.590 4.930 4.340 -0.001 0.000 0.303 1141 R C -1.730 174.457 176.300 -0.188 0.000 1.002 1141 R CA -0.785 55.181 56.100 -0.223 0.000 0.884 1141 R CB 1.246 31.478 30.300 -0.113 0.000 1.173 1141 R HN 0.630 nan 8.270 nan 0.000 0.464 1142 L N 4.888 126.010 121.223 -0.168 0.000 2.315 1142 L HA 0.384 4.724 4.340 -0.001 0.000 0.283 1142 L C 0.895 177.698 176.870 -0.112 0.000 1.089 1142 L CA 0.103 54.837 54.840 -0.177 0.000 0.833 1142 L CB 0.496 42.427 42.059 -0.212 0.000 1.170 1142 L HN 0.379 nan 8.230 nan 0.000 0.442 1143 R N 1.911 122.355 120.500 -0.093 0.000 2.649 1143 R HA 0.201 4.540 4.340 -0.001 0.000 0.270 1143 R C 0.293 176.566 176.300 -0.046 0.000 1.105 1143 R CA -0.906 55.162 56.100 -0.053 0.000 1.193 1143 R CB 0.571 30.851 30.300 -0.033 0.000 1.120 1143 R HN 0.507 nan 8.270 nan 0.000 0.561 1144 K N 0.255 120.639 120.400 -0.026 0.000 2.489 1144 K HA -0.062 4.258 4.320 -0.001 0.000 0.278 1144 K C 0.606 177.199 176.600 -0.011 0.000 1.000 1144 K CA 1.214 57.491 56.287 -0.017 0.000 1.012 1144 K CB 0.144 32.639 32.500 -0.008 0.000 0.903 1144 K HN 0.765 nan 8.250 nan 0.000 0.485 1145 G N 2.044 110.840 108.800 -0.006 0.000 2.307 1145 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.210 1145 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.210 1145 G C 0.173 175.082 174.900 0.015 0.000 1.005 1145 G CA -0.072 45.033 45.100 0.008 0.000 0.634 1145 G HN 0.997 nan 8.290 nan 0.000 0.496 1146 A N 0.651 123.462 122.820 -0.015 0.000 2.507 1146 A HA 0.537 4.857 4.320 -0.001 0.000 0.235 1146 A C 0.671 178.262 177.584 0.011 0.000 1.070 1146 A CA 1.693 53.705 52.037 -0.041 0.000 0.768 1146 A CB 0.083 18.973 19.000 -0.183 0.000 1.011 1146 A HN 1.047 nan 8.150 nan 0.000 0.502 1147 T N 2.701 117.310 114.554 0.091 0.000 2.779 1147 T HA 0.589 4.938 4.350 -0.001 0.000 0.280 1147 T C -0.183 174.588 174.700 0.117 0.000 0.987 1147 T CA -0.259 61.905 62.100 0.107 0.000 0.966 1147 T CB 0.686 69.632 68.868 0.130 0.000 0.933 1147 T HN 0.467 nan 8.240 nan 0.000 0.442 1148 L N 2.588 123.850 121.223 0.066 0.000 2.286 1148 L HA 0.648 4.988 4.340 -0.001 0.000 0.265 1148 L C -0.828 176.073 176.870 0.051 0.000 1.012 1148 L CA -1.315 53.558 54.840 0.054 0.000 0.818 1148 L CB 1.893 43.962 42.059 0.017 0.000 1.337 1148 L HN 0.397 nan 8.230 nan 0.000 0.438 1149 L N 2.767 124.016 121.223 0.043 0.000 2.319 1149 L HA 0.534 4.874 4.340 -0.001 0.000 0.281 1149 L C -0.839 176.041 176.870 0.016 0.000 1.005 1149 L CA -0.381 54.480 54.840 0.035 0.000 0.828 1149 L CB 1.911 43.997 42.059 0.046 0.000 1.227 1149 L HN 0.424 nan 8.230 nan 0.000 0.415 1150 I N 4.787 125.363 120.570 0.011 0.000 2.378 1150 I HA 0.382 4.552 4.170 -0.001 0.000 0.291 1150 I C -2.209 173.908 176.117 0.001 0.000 0.992 1150 I CA -2.136 59.165 61.300 0.002 0.000 1.154 1150 I CB 2.082 40.082 38.000 -0.000 0.000 1.315 1150 I HN 0.275 nan 8.210 nan 0.000 0.448 1151 P HA 0.194 nan 4.420 nan 0.000 0.271 1151 P C -1.273 176.023 177.300 -0.005 0.000 1.218 1151 P CA -0.279 62.818 63.100 -0.005 0.000 0.780 1151 P CB 0.535 32.231 31.700 -0.007 0.000 0.901 1152 K N 0.495 120.891 120.400 -0.007 0.000 2.469 1152 K HA 0.922 5.242 4.320 -0.001 0.000 0.268 1152 K C -1.612 174.985 176.600 -0.006 0.000 1.027 1152 K CA -1.288 54.996 56.287 -0.005 0.000 0.893 1152 K CB 1.805 34.303 32.500 -0.002 0.000 1.460 1152 K HN 0.299 nan 8.250 nan 0.000 0.449 1153 A N 1.131 123.950 122.820 -0.000 0.000 2.454 1153 A HA 0.730 5.050 4.320 -0.001 0.000 0.302 1153 A C -1.319 176.275 177.584 0.017 0.000 1.079 1153 A CA -0.932 51.107 52.037 0.003 0.000 0.731 1153 A CB 1.284 20.285 19.000 0.003 0.000 1.299 1153 A HN 0.579 nan 8.150 nan 0.000 0.413 1154 L N 0.591 121.832 121.223 0.031 0.000 2.319 1154 L HA 0.476 4.816 4.340 -0.001 0.000 0.267 1154 L C -0.159 176.764 176.870 0.088 0.000 1.011 1154 L CA -0.598 54.281 54.840 0.064 0.000 0.818 1154 L CB 2.210 44.324 42.059 0.091 0.000 1.316 1154 L HN 0.830 nan 8.230 nan 0.000 0.432 1155 Q N 1.641 121.501 119.800 0.100 0.000 2.390 1155 Q HA 0.298 4.638 4.340 -0.001 0.000 0.249 1155 Q C -1.061 175.060 176.000 0.202 0.000 0.996 1155 Q CA -0.418 55.449 55.803 0.107 0.000 0.899 1155 Q CB 1.240 30.007 28.738 0.048 0.000 1.216 1155 Q HN 0.264 nan 8.270 nan 0.000 0.465 1156 F N 1.912 121.879 119.950 0.029 0.000 2.370 1156 F HA 0.180 4.707 4.527 -0.001 0.000 0.319 1156 F C 0.796 176.608 175.800 0.020 0.000 1.129 1156 F CA -0.580 57.451 58.000 0.052 0.000 1.109 1156 F CB 1.165 40.240 39.000 0.125 0.000 1.262 1156 F HN 0.514 nan 8.300 nan 0.000 0.534 1157 D N 0.863 120.849 120.400 -0.690 0.000 2.290 1157 D HA -0.012 4.628 4.640 -0.001 0.000 0.224 1157 D C 0.477 176.502 176.300 -0.459 0.000 0.967 1157 D CA 0.781 54.489 54.000 -0.487 0.000 0.893 1157 D CB -0.079 40.460 40.800 -0.436 0.000 1.037 1157 D HN 0.281 nan 8.370 nan 0.000 0.477 1158 R N 1.892 121.942 120.500 -0.750 0.000 2.606 1158 R HA 0.122 4.462 4.340 -0.001 0.000 0.276 1158 R C 0.576 176.830 176.300 -0.077 0.000 1.416 1158 R CA 0.060 55.971 56.100 -0.316 0.000 1.064 1158 R CB -0.444 29.722 30.300 -0.223 0.000 1.117 1158 R HN 0.204 nan 8.270 nan 0.000 0.543 1159 L N 1.022 122.231 121.223 -0.022 0.000 2.554 1159 L HA 0.088 4.428 4.340 -0.001 0.000 0.225 1159 L C 0.529 177.435 176.870 0.060 0.000 1.104 1159 L CA 0.337 55.197 54.840 0.034 0.000 0.866 1159 L CB 0.190 42.264 42.059 0.026 0.000 1.047 1159 L HN 0.109 nan 8.230 nan 0.000 0.468 1160 V N -0.905 119.035 119.914 0.043 0.000 2.513 1160 V HA 0.913 5.032 4.120 -0.001 0.000 0.299 1160 V C -0.057 175.985 176.094 -0.087 0.000 1.035 1160 V CA -0.864 61.438 62.300 0.003 0.000 0.889 1160 V CB 1.168 32.992 31.823 0.001 0.000 0.988 1160 V HN 0.050 nan 8.190 nan 0.000 0.440 1161 A N 2.449 125.175 122.820 -0.157 0.000 2.589 1161 A HA 0.807 5.126 4.320 -0.001 0.000 0.296 1161 A C -0.095 177.361 177.584 -0.214 0.000 1.062 1161 A CA -0.132 51.723 52.037 -0.302 0.000 0.686 1161 A CB 1.532 20.026 19.000 -0.843 0.000 1.282 1161 A HN 1.431 nan 8.150 nan 0.000 0.404 1162 G N 0.883 109.597 108.800 -0.142 0.000 2.372 1162 G HA2 0.505 4.465 3.960 -0.001 0.000 0.286 1162 G HA3 0.505 4.465 3.960 -0.001 0.000 0.286 1162 G C -0.333 174.532 174.900 -0.060 0.000 1.153 1162 G CA -0.066 44.993 45.100 -0.068 0.000 0.985 1162 G HN 0.729 nan 8.290 nan 0.000 0.429 1163 Q N 1.790 121.549 119.800 -0.069 0.000 2.365 1163 Q HA 0.433 4.772 4.340 -0.001 0.000 0.269 1163 Q C -0.486 175.466 176.000 -0.081 0.000 1.061 1163 Q CA -1.136 54.667 55.803 0.000 0.000 0.816 1163 Q CB 2.442 31.250 28.738 0.116 0.000 1.325 1163 Q HN 0.428 nan 8.270 nan 0.000 0.446 1164 I N 3.150 123.654 120.570 -0.111 0.000 2.919 1164 I HA -0.072 4.098 4.170 -0.001 0.000 0.303 1164 I C -2.070 173.990 176.117 -0.095 0.000 1.221 1164 I CA -0.869 60.315 61.300 -0.193 0.000 1.444 1164 I CB -0.266 37.546 38.000 -0.314 0.000 1.331 1164 I HN 0.436 nan 8.210 nan 0.000 0.572 1165 P HA -0.060 nan 4.420 nan 0.000 0.264 1165 P C -0.576 176.764 177.300 0.067 0.000 1.179 1165 P CA 0.226 63.319 63.100 -0.012 0.000 0.763 1165 P CB 0.100 31.816 31.700 0.026 0.000 0.806 1166 T N 3.284 117.886 114.554 0.081 0.000 2.825 1166 T HA 0.368 4.718 4.350 -0.001 0.000 0.270 1166 T C 1.282 175.996 174.700 0.024 0.000 0.919 1166 T CA 1.141 63.282 62.100 0.069 0.000 1.159 1166 T CB -0.773 68.142 68.868 0.080 0.000 0.889 1166 T HN 0.749 nan 8.240 nan 0.000 0.565 1167 G N 3.156 111.969 108.800 0.022 0.000 2.672 1167 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.197 1167 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.197 1167 G C 0.001 174.876 174.900 -0.042 0.000 0.995 1167 G CA -0.951 44.113 45.100 -0.060 0.000 0.754 1167 G HN 0.657 nan 8.290 nan 0.000 0.505 1168 W N 2.507 123.748 121.300 -0.100 0.000 2.295 1168 W HA 0.505 5.165 4.660 -0.001 0.000 0.335 1168 W C -0.405 176.085 176.519 -0.049 0.000 1.351 1168 W CA 1.160 58.467 57.345 -0.064 0.000 1.273 1168 W CB 0.706 30.190 29.460 0.041 0.000 1.214 1168 W HN 0.109 nan 8.180 nan 0.000 0.563 1169 D N 3.682 123.617 120.400 -0.775 0.000 2.990 1169 D HA 0.350 4.989 4.640 -0.001 0.000 0.227 1169 D C 0.696 176.399 176.300 -0.995 0.000 1.249 1169 D CA 0.016 53.593 54.000 -0.704 0.000 0.891 1169 D CB 1.912 42.468 40.800 -0.406 0.000 1.647 1169 D HN 0.403 nan 8.370 nan 0.000 0.530 1170 A N 3.654 125.990 122.820 -0.807 0.000 2.032 1170 A HA -0.198 4.122 4.320 -0.001 0.000 0.221 1170 A C 1.942 179.329 177.584 -0.328 0.000 1.165 1170 A CA 1.355 53.103 52.037 -0.481 0.000 0.645 1170 A CB -0.277 18.564 19.000 -0.265 0.000 0.807 1170 A HN 0.652 nan 8.150 nan 0.000 0.453 1171 R N -0.954 119.340 120.500 -0.343 0.000 2.120 1171 R HA -0.078 4.262 4.340 -0.001 0.000 0.234 1171 R C 2.409 178.548 176.300 -0.269 0.000 1.123 1171 R CA 1.407 57.351 56.100 -0.261 0.000 0.975 1171 R CB -0.208 29.951 30.300 -0.235 0.000 0.866 1171 R HN 0.530 nan 8.270 nan 0.000 0.446 1172 R N -0.778 119.460 120.500 -0.436 0.000 2.075 1172 R HA -0.119 4.221 4.340 -0.001 0.000 0.232 1172 R C 1.798 177.929 176.300 -0.282 0.000 1.126 1172 R CA 1.438 57.225 56.100 -0.522 0.000 0.963 1172 R CB -0.221 29.465 30.300 -1.025 0.000 0.858 1172 R HN 0.326 nan 8.270 nan 0.000 0.435 1173 Y N -0.649 119.583 120.300 -0.114 0.000 2.497 1173 Y HA -0.078 4.472 4.550 -0.000 0.000 0.292 1173 Y C 1.726 177.682 175.900 0.094 0.000 1.137 1173 Y CA 0.857 59.014 58.100 0.096 0.000 1.285 1173 Y CB 0.288 38.807 38.460 0.099 0.000 0.991 1173 Y HN 0.381 nan 8.280 nan 0.000 0.556 1174 G N -0.769 108.095 108.800 0.107 0.000 2.192 1174 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.193 1174 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.193 1174 G C -0.098 174.832 174.900 0.051 0.000 0.999 1174 G CA -0.145 45.020 45.100 0.109 0.000 0.659 1174 G HN 0.066 nan 8.290 nan 0.000 0.503 1175 V N 2.056 121.861 119.914 -0.182 0.000 2.694 1175 V HA 0.273 4.393 4.120 -0.001 0.000 0.306 1175 V C -1.179 174.798 176.094 -0.195 0.000 1.054 1175 V CA -0.385 61.652 62.300 -0.438 0.000 1.161 1175 V CB 0.622 32.076 31.823 -0.616 0.000 0.916 1175 V HN 0.203 nan 8.190 nan 0.000 0.490 1176 P HA 0.109 nan 4.420 nan 0.000 0.268 1176 P C 0.634 177.873 177.300 -0.101 0.000 1.205 1176 P CA -0.120 62.944 63.100 -0.060 0.000 0.771 1176 P CB 0.746 32.441 31.700 -0.008 0.000 0.858 1177 E N 3.366 123.520 120.200 -0.076 0.000 2.033 1177 E HA -0.275 4.074 4.350 -0.001 0.000 0.199 1177 E C 1.269 177.815 176.600 -0.090 0.000 1.011 1177 E CA 2.226 58.575 56.400 -0.085 0.000 0.815 1177 E CB -0.696 28.967 29.700 -0.061 0.000 0.755 1177 E HN 0.530 nan 8.360 nan 0.000 0.451 1178 D N 0.549 120.909 120.400 -0.067 0.000 2.116 1178 D HA -0.228 4.412 4.640 -0.001 0.000 0.193 1178 D C 2.046 178.277 176.300 -0.116 0.000 0.998 1178 D CA 1.281 55.241 54.000 -0.065 0.000 0.836 1178 D CB -0.514 40.269 40.800 -0.029 0.000 0.951 1178 D HN 0.285 nan 8.370 nan 0.000 0.449 1179 I N 1.047 121.526 120.570 -0.151 0.000 2.361 1179 I HA -0.191 3.979 4.170 -0.001 0.000 0.251 1179 I C 2.561 178.498 176.117 -0.301 0.000 1.133 1179 I CA 0.556 61.690 61.300 -0.276 0.000 1.413 1179 I CB -0.490 37.342 38.000 -0.279 0.000 1.073 1179 I HN 0.057 nan 8.210 nan 0.000 0.424 1180 I N 0.539 120.973 120.570 -0.226 0.000 2.226 1180 I HA -0.263 3.906 4.170 -0.001 0.000 0.245 1180 I C 2.411 178.422 176.117 -0.177 0.000 1.100 1180 I CA 1.431 62.606 61.300 -0.208 0.000 1.374 1180 I CB -0.993 36.904 38.000 -0.171 0.000 1.057 1180 I HN 0.370 nan 8.210 nan 0.000 0.413 1181 Q N -0.047 119.667 119.800 -0.144 0.000 2.331 1181 Q HA -0.165 4.175 4.340 -0.001 0.000 0.203 1181 Q C 2.026 177.964 176.000 -0.104 0.000 0.944 1181 Q CA 0.741 56.480 55.803 -0.106 0.000 0.892 1181 Q CB 0.011 28.704 28.738 -0.075 0.000 0.983 1181 Q HN 0.537 nan 8.270 nan 0.000 0.482 1182 Q N 0.310 120.021 119.800 -0.148 0.000 2.376 1182 Q HA 0.039 4.379 4.340 -0.001 0.000 0.206 1182 Q C 0.169 176.078 176.000 -0.152 0.000 0.921 1182 Q CA 0.377 56.105 55.803 -0.124 0.000 0.911 1182 Q CB 0.741 29.404 28.738 -0.125 0.000 1.032 1182 Q HN 0.020 nan 8.270 nan 0.000 0.510 1183 V N 0.573 120.332 119.914 -0.258 0.000 3.019 1183 V HA 0.308 4.428 4.120 -0.001 0.000 0.317 1183 V C -0.145 175.844 176.094 -0.175 0.000 1.094 1183 V CA -1.213 60.927 62.300 -0.266 0.000 1.000 1183 V CB 1.554 33.045 31.823 -0.554 0.000 1.060 1183 V HN 0.115 nan 8.190 nan 0.000 0.443 1184 D N 2.061 122.392 120.400 -0.115 0.000 2.443 1184 D HA 0.120 4.760 4.640 -0.001 0.000 0.239 1184 D C -1.630 174.557 176.300 -0.188 0.000 1.136 1184 D CA -1.243 52.697 54.000 -0.099 0.000 0.879 1184 D CB 2.023 42.801 40.800 -0.035 0.000 1.195 1184 D HN 0.206 nan 8.370 nan 0.000 0.443 1185 P HA -0.198 nan 4.420 nan 0.000 0.218 1185 P C 1.709 178.626 177.300 -0.638 0.000 1.154 1185 P CA 0.634 63.506 63.100 -0.381 0.000 0.872 1185 P CB 0.217 31.752 31.700 -0.275 0.000 0.790 1186 V N -0.537 119.152 119.914 -0.374 0.000 2.278 1186 V HA -0.336 3.784 4.120 -0.001 0.000 0.251 1186 V C 2.326 178.208 176.094 -0.353 0.000 1.062 1186 V CA 2.766 64.917 62.300 -0.249 0.000 1.038 1186 V CB -1.611 30.179 31.823 -0.055 0.000 0.646 1186 V HN 0.229 nan 8.190 nan 0.000 0.447 1187 T N -0.047 114.317 114.554 -0.316 0.000 2.759 1187 T HA -0.162 4.187 4.350 -0.001 0.000 0.269 1187 T C 1.799 176.376 174.700 -0.204 0.000 1.042 1187 T CA 1.567 63.512 62.100 -0.260 0.000 1.140 1187 T CB -0.252 68.488 68.868 -0.213 0.000 0.864 1187 T HN 0.319 nan 8.240 nan 0.000 0.455 1188 L N -0.383 120.687 121.223 -0.256 0.000 2.046 1188 L HA -0.122 4.218 4.340 -0.001 0.000 0.208 1188 L C 2.358 179.287 176.870 0.099 0.000 1.077 1188 L CA 1.778 56.533 54.840 -0.141 0.000 0.747 1188 L CB -0.729 41.230 42.059 -0.167 0.000 0.896 1188 L HN 0.440 nan 8.230 nan 0.000 0.432 1189 Y N -1.055 119.315 120.300 0.118 0.000 2.224 1189 Y HA -0.228 4.322 4.550 -0.001 0.000 0.289 1189 Y C 2.621 178.570 175.900 0.081 0.000 1.146 1189 Y CA 0.508 58.655 58.100 0.079 0.000 1.182 1189 Y CB -0.426 38.021 38.460 -0.022 0.000 0.983 1189 Y HN -0.080 nan 8.280 nan 0.000 0.524 1190 V N 0.306 120.300 119.914 0.134 0.000 2.307 1190 V HA -0.274 3.846 4.120 -0.001 0.000 0.245 1190 V C 2.265 178.457 176.094 0.165 0.000 1.045 1190 V CA 1.453 63.816 62.300 0.105 0.000 1.024 1190 V CB -0.614 31.163 31.823 -0.078 0.000 0.651 1190 V HN 0.396 nan 8.190 nan 0.000 0.449 1191 L N -0.556 120.754 121.223 0.145 0.000 1.989 1191 L HA -0.195 4.145 4.340 -0.001 0.000 0.211 1191 L C 2.529 179.601 176.870 0.336 0.000 1.071 1191 L CA 1.526 56.519 54.840 0.255 0.000 0.749 1191 L CB -0.617 41.491 42.059 0.081 0.000 0.890 1191 L HN 0.183 nan 8.230 nan 0.000 0.431 1192 V N -0.797 119.250 119.914 0.221 0.000 2.287 1192 V HA -0.340 3.779 4.120 -0.001 0.000 0.248 1192 V C 2.719 178.906 176.094 0.155 0.000 1.053 1192 V CA 2.007 64.414 62.300 0.179 0.000 1.027 1192 V CB -0.341 31.575 31.823 0.155 0.000 0.646 1192 V HN 0.545 nan 8.190 nan 0.000 0.447 1193 S N -0.293 115.518 115.700 0.185 0.000 2.378 1193 S HA -0.228 4.241 4.470 -0.001 0.000 0.221 1193 S C 2.006 176.712 174.600 0.177 0.000 1.037 1193 S CA 2.325 60.627 58.200 0.169 0.000 1.069 1193 S CB -0.489 62.829 63.200 0.197 0.000 1.006 1193 S HN 0.282 nan 8.310 nan 0.000 0.423 1194 V N 2.212 122.245 119.914 0.199 0.000 2.546 1194 V HA -0.205 3.915 4.120 -0.001 0.000 0.254 1194 V C 2.778 178.980 176.094 0.179 0.000 1.076 1194 V CA 1.909 64.321 62.300 0.187 0.000 1.087 1194 V CB -1.362 30.578 31.823 0.195 0.000 0.674 1194 V HN 0.670 nan 8.190 nan 0.000 0.470 1195 A N -1.113 121.832 122.820 0.208 0.000 1.929 1195 A HA -0.170 4.150 4.320 -0.001 0.000 0.216 1195 A C 2.212 179.904 177.584 0.180 0.000 1.176 1195 A CA 1.498 53.637 52.037 0.170 0.000 0.628 1195 A CB -0.332 18.831 19.000 0.272 0.000 0.816 1195 A HN 0.576 nan 8.150 nan 0.000 0.444 1196 E N -0.566 119.743 120.200 0.181 0.000 2.230 1196 E HA 0.063 4.413 4.350 -0.001 0.000 0.192 1196 E C 2.081 178.802 176.600 0.202 0.000 0.987 1196 E CA 0.545 57.068 56.400 0.205 0.000 0.841 1196 E CB -0.089 29.719 29.700 0.179 0.000 0.783 1196 E HN 0.592 nan 8.360 nan 0.000 0.481 1197 A N 0.705 123.624 122.820 0.165 0.000 2.014 1197 A HA -0.072 4.247 4.320 -0.001 0.000 0.218 1197 A C 2.005 179.683 177.584 0.155 0.000 1.163 1197 A CA 0.624 52.745 52.037 0.139 0.000 0.652 1197 A CB -0.240 18.834 19.000 0.123 0.000 0.808 1197 A HN 0.162 nan 8.150 nan 0.000 0.449 1198 L N -1.122 120.203 121.223 0.170 0.000 2.179 1198 L HA -0.017 4.322 4.340 -0.001 0.000 0.208 1198 L C 2.477 179.446 176.870 0.165 0.000 1.096 1198 L CA 0.793 55.735 54.840 0.170 0.000 0.779 1198 L CB -0.341 41.812 42.059 0.156 0.000 0.922 1198 L HN 0.468 nan 8.230 nan 0.000 0.443 1199 L N -0.117 121.231 121.223 0.207 0.000 2.072 1199 L HA -0.141 4.199 4.340 -0.001 0.000 0.205 1199 L C 2.583 179.614 176.870 0.267 0.000 1.079 1199 L CA 1.201 56.174 54.840 0.222 0.000 0.752 1199 L CB -0.031 42.190 42.059 0.271 0.000 0.906 1199 L HN 0.299 nan 8.230 nan 0.000 0.436 1200 S N -2.516 113.399 115.700 0.358 0.000 2.653 1200 S HA -0.086 4.384 4.470 -0.001 0.000 0.233 1200 S C 1.316 176.113 174.600 0.328 0.000 0.970 1200 S CA 0.786 59.264 58.200 0.464 0.000 0.947 1200 S CB -0.053 63.312 63.200 0.275 0.000 0.771 1200 S HN 0.364 nan 8.310 nan 0.000 0.538 1201 S N -0.655 115.169 115.700 0.208 0.000 3.009 1201 S HA 0.495 4.964 4.470 -0.001 0.000 0.254 1201 S C 1.117 175.733 174.600 0.027 0.000 1.004 1201 S CA 0.297 58.545 58.200 0.080 0.000 1.119 1201 S CB -0.402 62.872 63.200 0.122 0.000 1.075 1201 S HN 1.162 nan 8.310 nan 0.000 0.618 1202 G N 1.830 110.713 108.800 0.138 0.000 2.189 1202 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.267 1202 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.267 1202 G C 0.061 174.972 174.900 0.018 0.000 0.975 1202 G CA 0.455 45.652 45.100 0.162 0.000 0.644 1202 G HN 0.539 nan 8.290 nan 0.000 0.537 1203 I N 1.890 122.441 120.570 -0.032 0.000 2.379 1203 I HA 0.232 4.402 4.170 -0.001 0.000 0.290 1203 I C 1.467 177.534 176.117 -0.084 0.000 1.063 1203 I CA 0.467 61.682 61.300 -0.142 0.000 1.351 1203 I CB 0.583 38.447 38.000 -0.227 0.000 1.410 1203 I HN 0.020 nan 8.210 nan 0.000 0.505 1204 T N 3.496 117.950 114.554 -0.167 0.000 2.898 1204 T HA -0.031 4.319 4.350 -0.001 0.000 0.241 1204 T C 0.542 175.083 174.700 -0.266 0.000 1.024 1204 T CA 0.734 62.658 62.100 -0.294 0.000 1.174 1204 T CB 0.101 68.642 68.868 -0.544 0.000 0.873 1204 T HN 0.551 nan 8.240 nan 0.000 0.422 1205 D N 1.432 121.684 120.400 -0.246 0.000 2.274 1205 D HA 0.242 4.882 4.640 -0.001 0.000 0.239 1205 D C -2.030 174.176 176.300 -0.157 0.000 1.104 1205 D CA -2.535 51.343 54.000 -0.203 0.000 0.840 1205 D CB 1.870 42.575 40.800 -0.157 0.000 1.100 1205 D HN -0.013 nan 8.370 nan 0.000 0.477 1206 P HA -0.095 nan 4.420 nan 0.000 0.226 1206 P C 0.844 178.224 177.300 0.133 0.000 1.153 1206 P CA 0.614 63.731 63.100 0.028 0.000 0.777 1206 P CB 0.049 31.803 31.700 0.090 0.000 0.794 1207 Y N 0.496 120.819 120.300 0.038 0.000 2.403 1207 Y HA -0.139 4.411 4.550 -0.000 0.000 0.291 1207 Y C 2.331 178.212 175.900 -0.032 0.000 1.143 1207 Y CA 0.170 58.343 58.100 0.122 0.000 1.257 1207 Y CB -1.235 37.282 38.460 0.095 0.000 0.984 1207 Y HN 0.175 nan 8.280 nan 0.000 0.550 1208 E N -0.198 120.008 120.200 0.010 0.000 2.209 1208 E HA -0.225 4.124 4.350 -0.001 0.000 0.196 1208 E C 1.693 178.241 176.600 -0.087 0.000 0.993 1208 E CA 1.002 57.351 56.400 -0.084 0.000 0.819 1208 E CB -0.446 29.159 29.700 -0.159 0.000 0.745 1208 E HN 0.458 nan 8.360 nan 0.000 0.477 1209 F N -0.522 119.356 119.950 -0.119 0.000 2.202 1209 F HA -0.206 4.321 4.527 -0.001 0.000 0.301 1209 F C 1.121 176.809 175.800 -0.186 0.000 1.082 1209 F CA 0.720 58.604 58.000 -0.194 0.000 1.313 1209 F CB -0.052 38.666 39.000 -0.471 0.000 1.024 1209 F HN 0.144 nan 8.300 nan 0.000 0.495 1210 Y N -0.064 120.396 120.300 0.266 0.000 2.496 1210 Y HA 0.102 4.652 4.550 -0.001 0.000 0.313 1210 Y C 1.486 177.426 175.900 0.066 0.000 1.184 1210 Y CA -0.526 57.674 58.100 0.166 0.000 1.275 1210 Y CB -0.980 37.519 38.460 0.065 0.000 1.103 1210 Y HN 0.002 nan 8.280 nan 0.000 0.513 1211 K N -0.782 119.639 120.400 0.035 0.000 2.063 1211 K HA -0.018 4.301 4.320 -0.001 0.000 0.204 1211 K C 0.935 177.425 176.600 -0.182 0.000 1.039 1211 K CA 1.185 57.348 56.287 -0.207 0.000 0.957 1211 K CB -0.176 31.958 32.500 -0.610 0.000 0.764 1211 K HN 0.275 nan 8.250 nan 0.000 0.447 1212 Y N 0.074 120.450 120.300 0.128 0.000 2.519 1212 Y HA 0.108 4.657 4.550 -0.001 0.000 0.287 1212 Y C 0.647 176.640 175.900 0.155 0.000 1.128 1212 Y CA -0.153 58.022 58.100 0.126 0.000 1.282 1212 Y CB 0.516 39.041 38.460 0.109 0.000 1.027 1212 Y HN -0.229 nan 8.280 nan 0.000 0.551 1213 V N -0.994 119.119 119.914 0.332 0.000 2.971 1213 V HA 0.194 4.314 4.120 -0.001 0.000 0.309 1213 V C -1.029 175.293 176.094 0.381 0.000 1.130 1213 V CA -1.453 61.030 62.300 0.305 0.000 0.964 1213 V CB 2.089 34.069 31.823 0.261 0.000 1.029 1213 V HN 0.102 nan 8.190 nan 0.000 0.427 1214 H N 2.163 121.359 119.070 0.210 0.000 2.690 1214 H HA 0.319 4.875 4.556 -0.001 0.000 0.365 1214 H C 0.981 176.443 175.328 0.224 0.000 1.142 1214 H CA 0.282 56.434 56.048 0.172 0.000 1.417 1214 H CB 0.841 30.630 29.762 0.044 0.000 1.446 1214 H HN 0.549 nan 8.280 nan 0.000 0.599 1215 L N 1.898 122.765 121.223 -0.594 0.000 2.270 1215 L HA -0.201 4.138 4.340 -0.001 0.000 0.217 1215 L C 1.677 178.362 176.870 -0.308 0.000 1.107 1215 L CA 1.782 56.334 54.840 -0.480 0.000 0.772 1215 L CB -0.502 41.076 42.059 -0.802 0.000 0.902 1215 L HN 0.644 nan 8.230 nan 0.000 0.439 1216 S N -2.386 113.109 115.700 -0.341 0.000 2.614 1216 S HA 0.106 4.575 4.470 -0.001 0.000 0.230 1216 S C 0.961 175.575 174.600 0.023 0.000 0.952 1216 S CA -0.296 57.850 58.200 -0.090 0.000 0.949 1216 S CB 0.220 63.435 63.200 0.025 0.000 0.786 1216 S HN 0.440 nan 8.310 nan 0.000 0.478 1217 E N 0.331 120.561 120.200 0.050 0.000 2.601 1217 E HA 0.187 4.537 4.350 -0.001 0.000 0.219 1217 E C -0.850 175.743 176.600 -0.013 0.000 0.964 1217 E CA -0.031 56.394 56.400 0.041 0.000 1.050 1217 E CB 1.299 31.046 29.700 0.079 0.000 1.068 1217 E HN 0.325 nan 8.360 nan 0.000 0.496 1218 V N 1.937 121.844 119.914 -0.011 0.000 2.299 1218 V HA 0.350 4.469 4.120 -0.001 0.000 0.255 1218 V C 0.633 176.694 176.094 -0.054 0.000 1.100 1218 V CA -0.494 61.737 62.300 -0.115 0.000 0.938 1218 V CB 0.433 32.173 31.823 -0.138 0.000 1.139 1218 V HN 0.119 nan 8.190 nan 0.000 0.490 1219 G N 3.072 111.837 108.800 -0.059 0.000 2.477 1219 G HA2 0.411 4.370 3.960 -0.001 0.000 0.304 1219 G HA3 0.411 4.370 3.960 -0.001 0.000 0.304 1219 G C -0.525 174.372 174.900 -0.005 0.000 1.175 1219 G CA -0.635 44.454 45.100 -0.019 0.000 0.907 1219 G HN 0.655 nan 8.290 nan 0.000 0.509 1220 N N -0.401 118.313 118.700 0.024 0.000 2.519 1220 N HA 0.284 5.023 4.740 -0.001 0.000 0.286 1220 N C -0.927 174.621 175.510 0.062 0.000 1.079 1220 N CA -0.749 52.331 53.050 0.050 0.000 0.878 1220 N CB 1.253 39.781 38.487 0.068 0.000 1.375 1220 N HN 0.320 nan 8.380 nan 0.000 0.514 1221 C N 5.068 124.409 119.300 0.069 0.000 2.624 1221 C HA 0.405 4.864 4.460 -0.001 0.000 0.263 1221 C C 0.386 175.428 174.990 0.087 0.000 1.587 1221 C CA -0.599 58.460 59.018 0.069 0.000 1.718 1221 C CB -1.843 25.929 27.740 0.053 0.000 3.050 1221 C HN 0.627 nan 8.230 nan 0.000 0.517 1222 I N 1.630 122.278 120.570 0.130 0.000 2.441 1222 I HA 0.503 4.673 4.170 -0.001 0.000 0.287 1222 I C 0.994 177.196 176.117 0.141 0.000 1.049 1222 I CA 0.676 62.080 61.300 0.173 0.000 1.381 1222 I CB 0.738 38.910 38.000 0.287 0.000 1.409 1222 I HN 0.465 nan 8.210 nan 0.000 0.523 1223 G N 3.532 112.325 108.800 -0.012 0.000 3.140 1223 G HA2 0.812 4.771 3.960 -0.001 0.000 0.271 1223 G HA3 0.812 4.771 3.960 -0.001 0.000 0.271 1223 G C -1.041 173.500 174.900 -0.599 0.000 1.370 1223 G CA -0.295 44.705 45.100 -0.168 0.000 1.014 1223 G HN 0.711 nan 8.290 nan 0.000 0.541 1224 S N -3.090 112.311 115.700 -0.497 0.000 2.643 1224 S HA 0.586 5.056 4.470 -0.001 0.000 0.266 1224 S C 0.805 175.258 174.600 -0.245 0.000 1.130 1224 S CA 0.521 58.361 58.200 -0.600 0.000 0.817 1224 S CB 0.945 63.475 63.200 -1.117 0.000 1.107 1224 S HN 1.567 nan 8.310 nan 0.000 0.471 1225 G N -0.220 108.484 108.800 -0.159 0.000 2.408 1225 G HA2 0.294 4.254 3.960 -0.001 0.000 0.213 1225 G HA3 0.294 4.254 3.960 -0.001 0.000 0.213 1225 G C 1.004 175.875 174.900 -0.048 0.000 1.177 1225 G CA 1.230 46.290 45.100 -0.066 0.000 0.802 1225 G HN 1.528 nan 8.290 nan 0.000 0.533 1226 V N -2.948 116.950 119.914 -0.028 0.000 3.177 1226 V HA 0.569 4.688 4.120 -0.001 0.000 0.220 1226 V C 1.325 177.450 176.094 0.052 0.000 1.395 1226 V CA 0.279 62.570 62.300 -0.015 0.000 1.317 1226 V CB -0.888 30.906 31.823 -0.050 0.000 1.148 1226 V HN 1.105 nan 8.190 nan 0.000 0.499 1227 G N 0.813 109.692 108.800 0.131 0.000 3.176 1227 G HA2 0.321 4.281 3.960 -0.001 0.000 0.405 1227 G HA3 0.321 4.281 3.960 -0.001 0.000 0.405 1227 G C 1.033 176.080 174.900 0.246 0.000 0.496 1227 G CA 0.432 45.728 45.100 0.326 0.000 1.094 1227 G HN 2.284 nan 8.290 nan 0.000 0.527 1228 G N 1.190 110.105 108.800 0.191 0.000 2.130 1228 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.216 1228 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.216 1228 G C 1.206 176.137 174.900 0.052 0.000 0.999 1228 G CA 1.005 46.168 45.100 0.105 0.000 0.686 1228 G HN 1.897 nan 8.290 nan 0.000 0.515 1229 T N 0.025 114.613 114.554 0.056 0.000 2.897 1229 T HA -0.075 4.275 4.350 -0.001 0.000 0.271 1229 T C 2.371 177.067 174.700 -0.006 0.000 1.084 1229 T CA 1.953 64.056 62.100 0.005 0.000 1.123 1229 T CB -0.054 68.824 68.868 0.017 0.000 0.865 1229 T HN 0.471 nan 8.240 nan 0.000 0.496 1230 S N 0.559 116.271 115.700 0.020 0.000 2.362 1230 S HA 0.159 4.628 4.470 -0.001 0.000 0.221 1230 S C 2.424 177.033 174.600 0.016 0.000 1.032 1230 S CA 0.780 58.989 58.200 0.016 0.000 0.973 1230 S CB -0.409 62.805 63.200 0.023 0.000 0.849 1230 S HN 0.542 nan 8.310 nan 0.000 0.465 1231 A N 1.421 124.255 122.820 0.024 0.000 1.968 1231 A HA 0.139 4.459 4.320 -0.001 0.000 0.217 1231 A C 2.115 179.725 177.584 0.044 0.000 1.169 1231 A CA 0.829 52.888 52.037 0.035 0.000 0.638 1231 A CB -0.727 18.302 19.000 0.048 0.000 0.812 1231 A HN 0.548 nan 8.150 nan 0.000 0.446 1232 L N -0.452 120.784 121.223 0.021 0.000 2.127 1232 L HA -0.214 4.126 4.340 -0.001 0.000 0.211 1232 L C 2.797 179.698 176.870 0.052 0.000 1.089 1232 L CA 1.994 56.839 54.840 0.007 0.000 0.757 1232 L CB -0.347 41.658 42.059 -0.089 0.000 0.899 1232 L HN 0.580 nan 8.230 nan 0.000 0.434 1233 R N -0.179 120.332 120.500 0.018 0.000 2.062 1233 R HA -0.102 4.238 4.340 -0.001 0.000 0.226 1233 R C 2.082 178.424 176.300 0.070 0.000 1.125 1233 R CA 1.360 57.474 56.100 0.024 0.000 0.966 1233 R CB -0.626 29.663 30.300 -0.017 0.000 0.861 1233 R HN 0.347 nan 8.270 nan 0.000 0.433 1234 G N 1.122 109.954 108.800 0.054 0.000 2.499 1234 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.221 1234 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.221 1234 G C 1.371 176.305 174.900 0.057 0.000 1.109 1234 G CA 0.849 45.978 45.100 0.048 0.000 0.749 1234 G HN 0.388 nan 8.290 nan 0.000 0.568 1235 M N -1.437 118.221 119.600 0.096 0.000 2.191 1235 M HA 0.188 4.667 4.480 -0.001 0.000 0.262 1235 M C 1.914 178.201 176.300 -0.022 0.000 1.083 1235 M CA 1.028 56.357 55.300 0.050 0.000 1.154 1235 M CB 0.305 32.981 32.600 0.127 0.000 1.344 1235 M HN 0.208 nan 8.290 nan 0.000 0.431 1236 Y N -0.235 120.042 120.300 -0.039 0.000 2.500 1236 Y HA 0.129 4.679 4.550 -0.001 0.000 0.270 1236 Y C 2.187 178.058 175.900 -0.049 0.000 1.134 1236 Y CA 0.670 58.735 58.100 -0.058 0.000 1.293 1236 Y CB 0.157 38.565 38.460 -0.087 0.000 1.063 1236 Y HN 0.269 nan 8.280 nan 0.000 0.534 1237 K N -0.861 119.611 120.400 0.119 0.000 2.757 1237 K HA 0.036 4.356 4.320 -0.001 0.000 0.201 1237 K C 0.938 177.604 176.600 0.110 0.000 1.495 1237 K CA 0.514 56.862 56.287 0.103 0.000 1.090 1237 K CB -0.051 32.480 32.500 0.051 0.000 1.796 1237 K HN -0.195 nan 8.250 nan 0.000 0.523 1238 D N 1.262 121.702 120.400 0.068 0.000 2.265 1238 D HA -0.155 4.485 4.640 -0.001 0.000 0.208 1238 D C 1.799 178.123 176.300 0.040 0.000 0.977 1238 D CA 1.050 55.078 54.000 0.046 0.000 0.871 1238 D CB 0.133 40.951 40.800 0.030 0.000 0.925 1238 D HN 0.274 nan 8.370 nan 0.000 0.485 1239 R N -1.048 119.483 120.500 0.052 0.000 2.156 1239 R HA -0.056 4.284 4.340 -0.001 0.000 0.207 1239 R C 2.050 178.378 176.300 0.046 0.000 1.040 1239 R CA 0.232 56.349 56.100 0.029 0.000 1.013 1239 R CB -0.346 29.960 30.300 0.010 0.000 0.931 1239 R HN 0.141 nan 8.270 nan 0.000 0.465 1240 Y N 0.028 120.301 120.300 -0.046 0.000 2.571 1240 Y HA 0.024 4.574 4.550 -0.001 0.000 0.294 1240 Y C 1.022 176.901 175.900 -0.035 0.000 1.141 1240 Y CA 0.803 58.875 58.100 -0.046 0.000 1.308 1240 Y CB 0.300 38.734 38.460 -0.043 0.000 1.002 1240 Y HN 0.141 nan 8.280 nan 0.000 0.551 1241 L N 0.368 121.573 121.223 -0.030 0.000 2.640 1241 L HA 0.157 4.497 4.340 -0.001 0.000 0.230 1241 L C 0.433 177.248 176.870 -0.092 0.000 1.123 1241 L CA 0.781 55.570 54.840 -0.086 0.000 0.900 1241 L CB -0.080 41.983 42.059 0.008 0.000 1.146 1241 L HN 0.156 nan 8.230 nan 0.000 0.484 1242 D N -0.034 120.316 120.400 -0.082 0.000 2.945 1242 D HA -0.224 4.415 4.640 -0.001 0.000 0.225 1242 D C 0.308 176.583 176.300 -0.041 0.000 1.158 1242 D CA 0.709 54.666 54.000 -0.071 0.000 0.805 1242 D CB -0.527 40.214 40.800 -0.099 0.000 1.098 1242 D HN 0.293 nan 8.370 nan 0.000 0.426 1243 K N 0.059 120.445 120.400 -0.024 0.000 2.168 1243 K HA 0.401 4.721 4.320 -0.001 0.000 0.258 1243 K C -2.296 174.298 176.600 -0.010 0.000 1.010 1243 K CA -1.368 54.912 56.287 -0.013 0.000 0.929 1243 K CB 0.367 32.865 32.500 -0.002 0.000 0.998 1243 K HN -0.002 nan 8.250 nan 0.000 0.479 1244 P HA 0.085 nan 4.420 nan 0.000 0.273 1244 P C -1.113 176.187 177.300 -0.000 0.000 1.319 1244 P CA -0.111 62.986 63.100 -0.005 0.000 0.885 1244 P CB 0.417 32.114 31.700 -0.005 0.000 1.015 1245 V N 3.936 123.851 119.914 0.001 0.000 2.715 1245 V HA 0.252 4.372 4.120 -0.001 0.000 0.310 1245 V C 0.616 176.716 176.094 0.009 0.000 1.054 1245 V CA -0.917 61.388 62.300 0.007 0.000 0.928 1245 V CB 1.764 33.593 31.823 0.011 0.000 1.007 1245 V HN 0.413 nan 8.190 nan 0.000 0.437 1246 Q N 1.657 121.466 119.800 0.015 0.000 2.540 1246 Q HA 0.095 4.435 4.340 -0.001 0.000 0.256 1246 Q C 0.572 176.587 176.000 0.025 0.000 1.084 1246 Q CA 0.118 55.934 55.803 0.022 0.000 0.956 1246 Q CB 0.837 29.593 28.738 0.032 0.000 1.303 1246 Q HN 0.519 nan 8.270 nan 0.000 0.509 1247 K N 0.433 120.851 120.400 0.029 0.000 2.305 1247 K HA -0.086 4.233 4.320 -0.001 0.000 0.199 1247 K C 0.143 176.769 176.600 0.044 0.000 1.047 1247 K CA 1.045 57.350 56.287 0.029 0.000 0.976 1247 K CB 0.327 32.842 32.500 0.025 0.000 0.765 1247 K HN 0.601 nan 8.250 nan 0.000 0.474 1248 D N 0.014 120.450 120.400 0.061 0.000 2.501 1248 D HA -0.021 4.619 4.640 -0.001 0.000 0.226 1248 D C 1.044 177.408 176.300 0.106 0.000 1.198 1248 D CA -0.215 53.838 54.000 0.088 0.000 0.830 1248 D CB -0.304 40.557 40.800 0.103 0.000 1.014 1248 D HN 0.130 nan 8.370 nan 0.000 0.496 1249 I N -2.268 118.350 120.570 0.080 0.000 2.850 1249 I HA -0.096 4.073 4.170 -0.001 0.000 0.266 1249 I C 1.783 177.956 176.117 0.094 0.000 1.257 1249 I CA 0.507 61.856 61.300 0.082 0.000 1.465 1249 I CB -0.591 37.441 38.000 0.055 0.000 1.091 1249 I HN 0.039 nan 8.210 nan 0.000 0.467 1250 L N 0.843 122.127 121.223 0.101 0.000 2.046 1250 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 1250 L C 2.561 179.584 176.870 0.256 0.000 1.077 1250 L CA 1.814 56.725 54.840 0.118 0.000 0.747 1250 L CB -1.026 41.116 42.059 0.138 0.000 0.896 1250 L HN 0.373 nan 8.230 nan 0.000 0.432 1251 Q N -0.451 119.522 119.800 0.289 0.000 2.118 1251 Q HA -0.233 4.106 4.340 -0.001 0.000 0.211 1251 Q C 1.359 177.600 176.000 0.402 0.000 0.998 1251 Q CA 2.023 58.035 55.803 0.348 0.000 0.872 1251 Q CB -0.181 28.701 28.738 0.240 0.000 0.925 1251 Q HN 0.581 nan 8.270 nan 0.000 0.414 1252 E N -0.440 119.926 120.200 0.277 0.000 2.465 1252 E HA -0.001 4.349 4.350 -0.001 0.000 0.191 1252 E C 1.302 178.002 176.600 0.167 0.000 1.053 1252 E CA 0.422 56.971 56.400 0.247 0.000 0.869 1252 E CB 0.517 30.327 29.700 0.183 0.000 0.977 1252 E HN 0.297 nan 8.360 nan 0.000 0.483 1253 S N -0.557 115.198 115.700 0.091 0.000 2.535 1253 S HA 0.133 4.603 4.470 -0.001 0.000 0.214 1253 S C 0.498 175.033 174.600 -0.109 0.000 0.980 1253 S CA -0.505 57.665 58.200 -0.050 0.000 0.907 1253 S CB -0.291 62.816 63.200 -0.154 0.000 0.790 1253 S HN -0.036 nan 8.310 nan 0.000 0.510 1254 F N 1.466 121.486 119.950 0.115 0.000 2.399 1254 F HA 0.368 4.895 4.527 -0.001 0.000 0.342 1254 F C 1.562 177.453 175.800 0.152 0.000 1.106 1254 F CA -0.742 57.325 58.000 0.110 0.000 1.196 1254 F CB 0.979 40.033 39.000 0.090 0.000 1.163 1254 F HN -0.177 nan 8.300 nan 0.000 0.547 1255 V N 1.974 122.082 119.914 0.324 0.000 2.490 1255 V HA -0.303 3.817 4.120 -0.001 0.000 0.250 1255 V C 1.977 178.283 176.094 0.353 0.000 1.061 1255 V CA 2.075 64.560 62.300 0.308 0.000 1.064 1255 V CB -0.659 31.268 31.823 0.173 0.000 0.670 1255 V HN 0.876 nan 8.190 nan 0.000 0.461 1256 N N -0.767 118.103 118.700 0.284 0.000 2.336 1256 N HA -0.053 4.687 4.740 -0.001 0.000 0.189 1256 N C 1.217 176.831 175.510 0.173 0.000 1.113 1256 N CA 0.889 54.062 53.050 0.205 0.000 0.858 1256 N CB 0.208 38.764 38.487 0.115 0.000 0.970 1256 N HN 0.408 nan 8.380 nan 0.000 0.471 1257 T N 0.948 115.643 114.554 0.234 0.000 2.942 1257 T HA 0.060 4.410 4.350 -0.001 0.000 0.265 1257 T C 1.786 176.650 174.700 0.272 0.000 1.062 1257 T CA 0.652 62.864 62.100 0.187 0.000 1.139 1257 T CB 0.026 69.067 68.868 0.290 0.000 0.883 1257 T HN 0.044 nan 8.240 nan 0.000 0.468 1258 M N 2.005 121.777 119.600 0.287 0.000 2.084 1258 M HA 0.011 4.491 4.480 -0.001 0.000 0.259 1258 M C 2.743 179.186 176.300 0.238 0.000 1.072 1258 M CA 1.837 57.261 55.300 0.207 0.000 1.107 1258 M CB -1.243 31.317 32.600 -0.068 0.000 1.299 1258 M HN 0.277 nan 8.290 nan 0.000 0.413 1259 A N -0.004 122.962 122.820 0.243 0.000 1.896 1259 A HA -0.226 4.094 4.320 -0.001 0.000 0.220 1259 A C 2.427 180.097 177.584 0.143 0.000 1.206 1259 A CA 2.960 55.116 52.037 0.198 0.000 0.647 1259 A CB -1.546 17.560 19.000 0.178 0.000 0.828 1259 A HN 0.571 nan 8.150 nan 0.000 0.455 1260 A N -1.675 121.192 122.820 0.077 0.000 1.873 1260 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 1260 A C 2.019 179.592 177.584 -0.019 0.000 1.193 1260 A CA 1.590 53.603 52.037 -0.041 0.000 0.629 1260 A CB -1.129 17.756 19.000 -0.192 0.000 0.826 1260 A HN 0.780 nan 8.150 nan 0.000 0.447 1261 W N -0.291 121.058 121.300 0.082 0.000 2.350 1261 W HA -0.138 4.522 4.660 -0.000 0.000 0.289 1261 W C 2.216 178.804 176.519 0.116 0.000 1.215 1261 W CA 1.142 58.539 57.345 0.086 0.000 1.236 1261 W CB -0.320 29.178 29.460 0.063 0.000 1.130 1261 W HN 0.164 nan 8.180 nan 0.000 0.541 1262 V N 0.034 120.148 119.914 0.334 0.000 2.343 1262 V HA -0.339 3.781 4.120 -0.001 0.000 0.247 1262 V C 1.711 177.932 176.094 0.211 0.000 1.051 1262 V CA 2.309 64.768 62.300 0.264 0.000 1.036 1262 V CB -0.980 30.971 31.823 0.213 0.000 0.654 1262 V HN 0.249 nan 8.190 nan 0.000 0.451 1263 N N -0.775 118.026 118.700 0.168 0.000 2.409 1263 N HA 0.004 4.744 4.740 -0.001 0.000 0.179 1263 N C 1.596 177.190 175.510 0.141 0.000 1.032 1263 N CA 0.710 53.843 53.050 0.139 0.000 0.898 1263 N CB -0.041 38.505 38.487 0.098 0.000 0.971 1263 N HN 0.420 nan 8.380 nan 0.000 0.441 1264 M N -0.676 119.012 119.600 0.146 0.000 2.495 1264 M HA 0.163 4.642 4.480 -0.001 0.000 0.237 1264 M C 0.645 177.075 176.300 0.216 0.000 1.131 1264 M CA 0.482 55.864 55.300 0.137 0.000 1.032 1264 M CB 0.568 33.190 32.600 0.036 0.000 1.513 1264 M HN 0.148 nan 8.290 nan 0.000 0.488 1265 L N -1.882 119.488 121.223 0.246 0.000 2.766 1265 L HA 0.229 4.569 4.340 -0.001 0.000 0.241 1265 L C 1.466 178.398 176.870 0.104 0.000 1.080 1265 L CA 0.038 55.024 54.840 0.244 0.000 0.909 1265 L CB 0.372 42.671 42.059 0.400 0.000 1.277 1265 L HN 0.217 nan 8.230 nan 0.000 0.510 1266 L N -0.254 121.020 121.223 0.084 0.000 3.087 1266 L HA 0.226 4.566 4.340 -0.001 0.000 0.169 1266 L C 0.408 177.294 176.870 0.028 0.000 1.276 1266 L CA -0.090 54.734 54.840 -0.027 0.000 0.865 1266 L CB 0.176 42.222 42.059 -0.021 0.000 1.368 1266 L HN 0.035 nan 8.230 nan 0.000 0.548 1267 L N 0.405 121.709 121.223 0.135 0.000 2.352 1267 L HA 0.408 4.747 4.340 -0.001 0.000 0.272 1267 L C 0.180 177.239 176.870 0.314 0.000 1.109 1267 L CA -0.534 54.462 54.840 0.260 0.000 0.952 1267 L CB 0.475 42.659 42.059 0.207 0.000 1.314 1267 L HN 0.133 nan 8.230 nan 0.000 0.427 1268 S N 1.754 117.688 115.700 0.390 0.000 2.457 1268 S HA 0.459 4.929 4.470 -0.001 0.000 0.294 1268 S C 0.340 175.073 174.600 0.221 0.000 1.201 1268 S CA -0.041 58.328 58.200 0.281 0.000 1.112 1268 S CB 0.042 63.397 63.200 0.259 0.000 1.018 1268 S HN 0.885 nan 8.310 nan 0.000 0.511 1269 S N 1.828 117.623 115.700 0.159 0.000 2.546 1269 S HA 0.520 4.990 4.470 -0.001 0.000 0.274 1269 S C -0.159 174.430 174.600 -0.018 0.000 1.121 1269 S CA -0.863 57.385 58.200 0.079 0.000 0.887 1269 S CB 1.417 64.735 63.200 0.196 0.000 1.094 1269 S HN 0.488 nan 8.310 nan 0.000 0.474 1270 T N 2.314 116.768 114.554 -0.167 0.000 3.327 1270 T HA 0.417 4.766 4.350 -0.001 0.000 0.241 1270 T C 0.801 175.445 174.700 -0.092 0.000 0.907 1270 T CA -0.059 61.932 62.100 -0.180 0.000 0.931 1270 T CB -0.686 67.921 68.868 -0.435 0.000 1.112 1270 T HN 0.888 nan 8.240 nan 0.000 0.589 1271 G N 2.275 111.057 108.800 -0.031 0.000 2.528 1271 G HA2 0.549 4.508 3.960 -0.001 0.000 0.289 1271 G HA3 0.549 4.508 3.960 -0.001 0.000 0.289 1271 G C -2.639 172.261 174.900 -0.000 0.000 1.192 1271 G CA -1.560 43.534 45.100 -0.010 0.000 0.921 1271 G HN 0.127 nan 8.290 nan 0.000 0.512 1272 P HA 0.296 nan 4.420 nan 0.000 0.269 1272 P C -0.293 177.016 177.300 0.015 0.000 1.215 1272 P CA -0.005 63.098 63.100 0.006 0.000 0.780 1272 P CB 0.772 32.474 31.700 0.003 0.000 0.898 1273 I N -1.921 118.660 120.570 0.019 0.000 2.512 1273 I HA 0.570 4.740 4.170 -0.001 0.000 0.287 1273 I C -1.080 175.054 176.117 0.028 0.000 1.069 1273 I CA -0.880 60.438 61.300 0.029 0.000 1.056 1273 I CB 2.344 40.365 38.000 0.036 0.000 1.229 1273 I HN 0.059 nan 8.210 nan 0.000 0.429 1274 K N 5.033 125.453 120.400 0.034 0.000 2.604 1274 K HA 0.420 4.740 4.320 -0.001 0.000 0.247 1274 K C -0.705 175.919 176.600 0.041 0.000 0.956 1274 K CA -0.545 55.761 56.287 0.032 0.000 0.896 1274 K CB 2.150 34.664 32.500 0.024 0.000 1.131 1274 K HN 0.796 nan 8.250 nan 0.000 0.440 1275 T N 0.601 115.183 114.554 0.047 0.000 2.771 1275 T HA 0.609 4.958 4.350 -0.001 0.000 0.281 1275 T C -2.337 172.383 174.700 0.035 0.000 0.982 1275 T CA -1.867 60.266 62.100 0.054 0.000 0.978 1275 T CB 1.130 70.050 68.868 0.088 0.000 0.930 1275 T HN 0.153 nan 8.240 nan 0.000 0.447 1276 P HA 0.651 nan 4.420 nan 0.000 0.287 1276 P C -1.203 176.084 177.300 -0.021 0.000 1.290 1276 P CA -1.007 62.093 63.100 -0.001 0.000 0.889 1276 P CB 1.520 33.216 31.700 -0.008 0.000 1.190 1277 V N 0.991 120.897 119.914 -0.014 0.000 2.383 1277 V HA 0.415 4.535 4.120 -0.001 0.000 0.264 1277 V C 0.927 177.014 176.094 -0.011 0.000 1.001 1277 V CA -0.270 62.016 62.300 -0.023 0.000 0.828 1277 V CB 0.841 32.660 31.823 -0.007 0.000 1.069 1277 V HN 0.862 nan 8.190 nan 0.000 0.451 1278 G N 2.321 111.109 108.800 -0.020 0.000 3.702 1278 G HA2 0.535 4.494 3.960 -0.001 0.000 0.288 1278 G HA3 0.535 4.494 3.960 -0.001 0.000 0.288 1278 G C 0.898 175.811 174.900 0.021 0.000 1.193 1278 G CA 0.748 45.845 45.100 -0.005 0.000 0.952 1278 G HN 1.125 nan 8.290 nan 0.000 0.544 1279 A N -0.492 122.348 122.820 0.033 0.000 5.481 1279 A HA -0.364 3.955 4.320 -0.001 0.000 0.318 1279 A C 2.264 179.903 177.584 0.092 0.000 1.837 1279 A CA 1.489 53.572 52.037 0.076 0.000 0.717 1279 A CB -1.620 17.487 19.000 0.178 0.000 1.349 1279 A HN 0.887 nan 8.150 nan 0.000 0.388 1280 C N -0.606 118.812 119.300 0.196 0.000 2.403 1280 C HA 0.159 4.619 4.460 -0.001 0.000 0.279 1280 C C 2.797 177.849 174.990 0.103 0.000 1.269 1280 C CA 1.714 60.874 59.018 0.238 0.000 1.774 1280 C CB -1.810 26.183 27.740 0.423 0.000 1.993 1280 C HN 1.515 nan 8.230 nan 0.000 0.496 1281 A N -0.362 122.464 122.820 0.011 0.000 2.415 1281 A HA 0.192 4.511 4.320 -0.001 0.000 0.248 1281 A C 1.729 179.272 177.584 -0.068 0.000 1.299 1281 A CA 0.573 52.559 52.037 -0.086 0.000 0.899 1281 A CB -0.541 18.360 19.000 -0.165 0.000 0.997 1281 A HN 0.503 nan 8.150 nan 0.000 0.506 1282 T N 0.724 115.250 114.554 -0.047 0.000 2.607 1282 T HA -0.224 4.126 4.350 -0.001 0.000 0.267 1282 T C 2.339 176.999 174.700 -0.066 0.000 1.049 1282 T CA 2.067 64.129 62.100 -0.063 0.000 1.162 1282 T CB -0.375 68.436 68.868 -0.095 0.000 0.863 1282 T HN 0.691 nan 8.240 nan 0.000 0.424 1283 A N 0.642 123.419 122.820 -0.071 0.000 1.958 1283 A HA -0.134 4.185 4.320 -0.001 0.000 0.221 1283 A C 2.572 180.137 177.584 -0.032 0.000 1.178 1283 A CA 1.875 53.882 52.037 -0.050 0.000 0.642 1283 A CB -1.065 17.902 19.000 -0.054 0.000 0.816 1283 A HN 0.396 nan 8.150 nan 0.000 0.453 1284 V N -0.332 119.553 119.914 -0.049 0.000 2.302 1284 V HA -0.228 3.891 4.120 -0.001 0.000 0.243 1284 V C 2.482 178.545 176.094 -0.051 0.000 1.036 1284 V CA 2.041 64.308 62.300 -0.055 0.000 1.020 1284 V CB -0.743 31.025 31.823 -0.092 0.000 0.657 1284 V HN 0.821 nan 8.190 nan 0.000 0.453 1285 E N 0.252 120.417 120.200 -0.057 0.000 2.147 1285 E HA -0.317 4.033 4.350 -0.001 0.000 0.199 1285 E C 2.310 178.903 176.600 -0.012 0.000 1.005 1285 E CA 1.788 58.165 56.400 -0.038 0.000 0.810 1285 E CB -0.238 29.439 29.700 -0.038 0.000 0.736 1285 E HN 0.534 nan 8.360 nan 0.000 0.460 1286 S N -0.280 115.414 115.700 -0.010 0.000 2.368 1286 S HA -0.155 4.315 4.470 -0.001 0.000 0.224 1286 S C 1.961 176.580 174.600 0.033 0.000 1.029 1286 S CA 1.055 59.263 58.200 0.012 0.000 0.988 1286 S CB -0.320 62.886 63.200 0.010 0.000 0.838 1286 S HN 0.394 nan 8.310 nan 0.000 0.462 1287 L N 2.345 123.582 121.223 0.023 0.000 2.042 1287 L HA -0.086 4.254 4.340 -0.001 0.000 0.210 1287 L C 2.204 179.112 176.870 0.064 0.000 1.076 1287 L CA 2.531 57.393 54.840 0.036 0.000 0.749 1287 L CB -0.966 41.095 42.059 0.002 0.000 0.893 1287 L HN 0.404 nan 8.230 nan 0.000 0.432 1288 D N -0.650 119.769 120.400 0.033 0.000 2.120 1288 D HA -0.202 4.438 4.640 -0.001 0.000 0.191 1288 D C 2.105 178.489 176.300 0.141 0.000 0.994 1288 D CA 2.363 56.409 54.000 0.077 0.000 0.838 1288 D CB -0.254 40.560 40.800 0.024 0.000 0.976 1288 D HN 0.201 nan 8.370 nan 0.000 0.447 1289 V N 1.197 121.157 119.914 0.078 0.000 2.250 1289 V HA -0.305 3.814 4.120 -0.001 0.000 0.253 1289 V C 2.684 178.821 176.094 0.072 0.000 1.065 1289 V CA 2.489 64.827 62.300 0.063 0.000 1.039 1289 V CB -1.301 30.545 31.823 0.039 0.000 0.647 1289 V HN 0.461 nan 8.190 nan 0.000 0.446 1290 G N -1.936 106.913 108.800 0.082 0.000 2.433 1290 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.216 1290 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.216 1290 G C 1.437 176.398 174.900 0.101 0.000 1.186 1290 G CA 1.224 46.371 45.100 0.077 0.000 0.779 1290 G HN 0.564 nan 8.290 nan 0.000 0.543 1291 Y N 2.138 122.443 120.300 0.009 0.000 2.002 1291 Y HA -0.279 4.271 4.550 -0.001 0.000 0.268 1291 Y C 2.550 178.454 175.900 0.006 0.000 1.177 1291 Y CA 2.490 60.597 58.100 0.012 0.000 1.111 1291 Y CB -0.520 37.948 38.460 0.014 0.000 0.952 1291 Y HN 0.233 nan 8.280 nan 0.000 0.491 1292 D N -0.747 119.634 120.400 -0.032 0.000 2.092 1292 D HA -0.182 4.458 4.640 -0.001 0.000 0.193 1292 D C 2.217 178.440 176.300 -0.128 0.000 0.994 1292 D CA 2.259 56.175 54.000 -0.140 0.000 0.828 1292 D CB -0.801 40.003 40.800 0.006 0.000 0.963 1292 D HN 0.434 nan 8.370 nan 0.000 0.450 1293 T N 0.836 115.357 114.554 -0.055 0.000 2.737 1293 T HA -0.120 4.229 4.350 -0.001 0.000 0.269 1293 T C 2.134 176.794 174.700 -0.067 0.000 1.040 1293 T CA 0.624 62.697 62.100 -0.045 0.000 1.142 1293 T CB -0.188 68.672 68.868 -0.013 0.000 0.861 1293 T HN 0.184 nan 8.240 nan 0.000 0.456 1294 I N 0.460 120.980 120.570 -0.083 0.000 2.353 1294 I HA -0.017 4.153 4.170 -0.001 0.000 0.248 1294 I C 1.882 177.924 176.117 -0.124 0.000 1.119 1294 I CA 0.987 62.237 61.300 -0.082 0.000 1.417 1294 I CB -0.168 37.797 38.000 -0.058 0.000 1.078 1294 I HN 0.240 nan 8.210 nan 0.000 0.421 1295 M N 0.306 119.776 119.600 -0.217 0.000 2.654 1295 M HA -0.010 4.470 4.480 -0.001 0.000 0.217 1295 M C 0.538 176.741 176.300 -0.163 0.000 1.183 1295 M CA 0.814 55.975 55.300 -0.232 0.000 0.991 1295 M CB -0.012 32.347 32.600 -0.401 0.000 1.749 1295 M HN 0.286 nan 8.290 nan 0.000 0.475 1296 Q N -0.675 119.055 119.800 -0.117 0.000 2.086 1296 Q HA 0.202 4.542 4.340 -0.001 0.000 0.220 1296 Q C 0.962 176.924 176.000 -0.063 0.000 0.792 1296 Q CA 0.207 55.957 55.803 -0.088 0.000 1.062 1296 Q CB 1.470 30.160 28.738 -0.079 0.000 1.198 1296 Q HN 0.705 nan 8.270 nan 0.000 0.466 1297 G N 1.819 110.584 108.800 -0.058 0.000 2.189 1297 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.267 1297 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.267 1297 G C 1.131 176.016 174.900 -0.024 0.000 0.975 1297 G CA 0.826 45.904 45.100 -0.037 0.000 0.644 1297 G HN 0.201 nan 8.290 nan 0.000 0.537 1298 K N -0.023 120.360 120.400 -0.029 0.000 2.148 1298 K HA 0.357 4.677 4.320 -0.001 0.000 0.204 1298 K C 1.206 177.801 176.600 -0.008 0.000 1.050 1298 K CA 1.550 57.827 56.287 -0.017 0.000 0.942 1298 K CB -0.050 32.437 32.500 -0.021 0.000 0.724 1298 K HN 1.395 nan 8.250 nan 0.000 0.446 1299 A N -0.070 122.742 122.820 -0.014 0.000 2.586 1299 A HA 0.526 4.845 4.320 -0.001 0.000 0.291 1299 A C 0.009 177.586 177.584 -0.012 0.000 1.062 1299 A CA -0.722 51.310 52.037 -0.008 0.000 0.666 1299 A CB 0.982 19.971 19.000 -0.018 0.000 1.281 1299 A HN 0.016 nan 8.150 nan 0.000 0.421 1300 R N -0.270 120.226 120.500 -0.007 0.000 2.119 1300 R HA 0.317 4.657 4.340 -0.001 0.000 0.202 1300 R C 0.581 176.870 176.300 -0.019 0.000 1.114 1300 R CA 0.736 56.836 56.100 0.001 0.000 1.089 1300 R CB 0.133 30.454 30.300 0.035 0.000 1.000 1300 R HN 0.482 nan 8.270 nan 0.000 0.487 1301 V N 0.246 120.112 119.914 -0.079 0.000 2.997 1301 V HA 0.415 4.534 4.120 -0.001 0.000 0.311 1301 V C -0.831 175.165 176.094 -0.164 0.000 1.066 1301 V CA -0.328 61.873 62.300 -0.165 0.000 1.039 1301 V CB 1.773 33.310 31.823 -0.475 0.000 1.081 1301 V HN 0.465 nan 8.190 nan 0.000 0.467 1302 C N 5.719 124.938 119.300 -0.135 0.000 3.234 1302 C HA 0.340 4.800 4.460 -0.001 0.000 0.439 1302 C C -1.144 173.835 174.990 -0.018 0.000 0.946 1302 C CA -1.070 57.907 59.018 -0.067 0.000 1.193 1302 C CB -0.182 27.547 27.740 -0.020 0.000 1.579 1302 C HN 0.924 nan 8.230 nan 0.000 0.614 1303 L N 5.602 126.825 121.223 0.001 0.000 2.331 1303 L HA 0.719 5.058 4.340 -0.001 0.000 0.278 1303 L C -0.025 176.887 176.870 0.070 0.000 1.106 1303 L CA -0.151 54.719 54.840 0.051 0.000 0.824 1303 L CB 1.359 43.463 42.059 0.075 0.000 1.142 1303 L HN 0.502 nan 8.230 nan 0.000 0.443 1304 V N 2.119 122.082 119.914 0.081 0.000 2.925 1304 V HA 0.957 5.077 4.120 -0.001 0.000 0.311 1304 V C 0.184 176.335 176.094 0.095 0.000 1.104 1304 V CA -0.179 62.170 62.300 0.082 0.000 0.954 1304 V CB 1.992 33.857 31.823 0.069 0.000 1.022 1304 V HN 0.998 nan 8.190 nan 0.000 0.427 1305 G N 2.106 110.962 108.800 0.092 0.000 2.323 1305 G HA2 0.623 4.582 3.960 -0.001 0.000 0.291 1305 G HA3 0.623 4.582 3.960 -0.001 0.000 0.291 1305 G C -0.707 174.234 174.900 0.068 0.000 1.278 1305 G CA 0.162 45.321 45.100 0.099 0.000 0.860 1305 G HN 1.258 nan 8.290 nan 0.000 0.504 1306 G N -1.382 107.456 108.800 0.064 0.000 2.690 1306 G HA2 0.991 4.950 3.960 -0.001 0.000 0.291 1306 G HA3 0.991 4.950 3.960 -0.001 0.000 0.291 1306 G C -1.209 173.728 174.900 0.061 0.000 1.403 1306 G CA -0.145 44.926 45.100 -0.050 0.000 0.864 1306 G HN 1.767 nan 8.290 nan 0.000 0.480 1307 F N -0.967 119.002 119.950 0.033 0.000 2.678 1307 F HA 0.840 5.367 4.527 -0.001 0.000 0.308 1307 F C -1.788 174.049 175.800 0.062 0.000 1.118 1307 F CA -1.121 56.913 58.000 0.058 0.000 0.959 1307 F CB 2.447 41.526 39.000 0.133 0.000 1.305 1307 F HN 0.464 nan 8.300 nan 0.000 0.443 1308 D N 0.820 121.425 120.400 0.343 0.000 2.706 1308 D HA 0.280 4.920 4.640 -0.001 0.000 0.227 1308 D C -2.023 174.458 176.300 0.301 0.000 1.233 1308 D CA -0.192 53.979 54.000 0.284 0.000 0.768 1308 D CB 2.621 43.487 40.800 0.111 0.000 1.490 1308 D HN 0.695 nan 8.370 nan 0.000 0.458 1309 D N -0.079 120.509 120.400 0.313 0.000 2.385 1309 D HA 0.491 5.130 4.640 -0.001 0.000 0.254 1309 D C -1.081 175.434 176.300 0.359 0.000 1.053 1309 D CA -0.447 53.771 54.000 0.362 0.000 0.992 1309 D CB 1.003 42.012 40.800 0.348 0.000 1.145 1309 D HN 0.144 nan 8.370 nan 0.000 0.523 1310 F N 1.361 121.479 119.950 0.281 0.000 2.420 1310 F HA 0.431 4.957 4.527 -0.001 0.000 0.342 1310 F C -0.436 175.469 175.800 0.174 0.000 1.113 1310 F CA -0.134 57.998 58.000 0.219 0.000 1.059 1310 F CB 0.779 39.920 39.000 0.235 0.000 1.128 1310 F HN 0.146 nan 8.300 nan 0.000 0.475 1311 Q N 4.070 123.428 119.800 -0.737 0.000 2.456 1311 Q HA 0.112 4.452 4.340 -0.001 0.000 0.284 1311 Q C 0.487 175.919 176.000 -0.947 0.000 1.061 1311 Q CA -0.693 54.698 55.803 -0.688 0.000 0.799 1311 Q CB 2.389 30.963 28.738 -0.274 0.000 1.445 1311 Q HN 0.881 nan 8.270 nan 0.000 0.411 1312 E N 1.120 120.777 120.200 -0.904 0.000 2.070 1312 E HA -0.248 4.102 4.350 -0.001 0.000 0.197 1312 E C 0.841 177.116 176.600 -0.543 0.000 1.004 1312 E CA 1.873 57.628 56.400 -1.075 0.000 0.805 1312 E CB 0.362 29.507 29.700 -0.924 0.000 0.744 1312 E HN 0.522 nan 8.360 nan 0.000 0.451 1313 E N -0.166 119.799 120.200 -0.391 0.000 2.152 1313 E HA -0.091 4.259 4.350 -0.001 0.000 0.192 1313 E C 2.079 178.550 176.600 -0.214 0.000 0.983 1313 E CA 0.919 57.158 56.400 -0.268 0.000 0.818 1313 E CB -0.364 29.195 29.700 -0.235 0.000 0.758 1313 E HN 0.406 nan 8.360 nan 0.000 0.467 1314 G N 1.713 110.360 108.800 -0.255 0.000 2.505 1314 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.214 1314 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.214 1314 G C 1.701 176.576 174.900 -0.041 0.000 1.237 1314 G CA 1.162 46.146 45.100 -0.194 0.000 0.802 1314 G HN 0.369 nan 8.290 nan 0.000 0.549 1315 S N -0.540 115.149 115.700 -0.019 0.000 2.380 1315 S HA -0.269 4.201 4.470 -0.001 0.000 0.229 1315 S C 2.119 176.936 174.600 0.362 0.000 1.043 1315 S CA 2.020 60.378 58.200 0.264 0.000 1.038 1315 S CB -0.516 62.827 63.200 0.238 0.000 0.872 1315 S HN 0.482 nan 8.310 nan 0.000 0.456 1316 Y N 1.223 121.574 120.300 0.085 0.000 2.293 1316 Y HA -0.011 4.538 4.550 -0.001 0.000 0.291 1316 Y C 2.346 178.261 175.900 0.025 0.000 1.137 1316 Y CA 1.893 59.992 58.100 -0.002 0.000 1.202 1316 Y CB -0.157 38.092 38.460 -0.352 0.000 0.990 1316 Y HN 0.287 nan 8.280 nan 0.000 0.537 1317 E N -0.257 119.997 120.200 0.090 0.000 2.086 1317 E HA -0.099 4.250 4.350 -0.001 0.000 0.190 1317 E C 1.850 178.405 176.600 -0.075 0.000 0.975 1317 E CA 1.275 57.647 56.400 -0.046 0.000 0.813 1317 E CB -0.635 28.941 29.700 -0.206 0.000 0.768 1317 E HN 0.518 nan 8.360 nan 0.000 0.457 1318 F N 0.514 120.475 119.950 0.019 0.000 2.126 1318 F HA -0.206 4.321 4.527 -0.001 0.000 0.299 1318 F C 2.271 178.066 175.800 -0.007 0.000 1.096 1318 F CA 0.981 58.992 58.000 0.019 0.000 1.255 1318 F CB -0.337 38.674 39.000 0.019 0.000 0.997 1318 F HN 0.108 nan 8.300 nan 0.000 0.479 1319 A N 0.143 123.075 122.820 0.187 0.000 1.978 1319 A HA -0.244 4.076 4.320 -0.001 0.000 0.220 1319 A C 1.744 179.340 177.584 0.020 0.000 1.170 1319 A CA 2.133 54.213 52.037 0.071 0.000 0.636 1319 A CB -0.889 18.189 19.000 0.131 0.000 0.810 1319 A HN 0.435 nan 8.150 nan 0.000 0.448 1320 N N -0.783 117.914 118.700 -0.007 0.000 2.459 1320 N HA 0.024 4.764 4.740 -0.001 0.000 0.181 1320 N C 1.593 177.123 175.510 0.034 0.000 1.046 1320 N CA 1.240 54.281 53.050 -0.014 0.000 0.904 1320 N CB -0.169 38.301 38.487 -0.028 0.000 0.964 1320 N HN 0.545 nan 8.380 nan 0.000 0.444 1321 M N -2.120 117.529 119.600 0.081 0.000 2.466 1321 M HA 0.239 4.719 4.480 -0.001 0.000 0.265 1321 M C 0.990 177.360 176.300 0.118 0.000 1.122 1321 M CA 0.774 56.150 55.300 0.127 0.000 1.157 1321 M CB 0.448 33.184 32.600 0.225 0.000 1.352 1321 M HN 0.210 nan 8.290 nan 0.000 0.464 1322 G N 0.101 108.957 108.800 0.094 0.000 2.154 1322 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.186 1322 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.186 1322 G C 0.779 175.702 174.900 0.038 0.000 1.000 1322 G CA 0.286 45.413 45.100 0.044 0.000 0.664 1322 G HN 0.477 nan 8.290 nan 0.000 0.513 1323 A N 0.096 122.967 122.820 0.086 0.000 1.840 1323 A HA 0.388 4.708 4.320 -0.001 0.000 0.214 1323 A C 1.919 179.195 177.584 -0.513 0.000 1.198 1323 A CA 2.336 54.396 52.037 0.039 0.000 0.608 1323 A CB -0.974 18.260 19.000 0.390 0.000 0.839 1323 A HN 1.487 nan 8.150 nan 0.000 0.443 1324 T N 0.276 114.434 114.554 -0.660 0.000 2.734 1324 T HA 0.394 4.744 4.350 -0.001 0.000 0.314 1324 T C 0.351 174.821 174.700 -0.382 0.000 1.057 1324 T CA 0.083 61.730 62.100 -0.755 0.000 1.047 1324 T CB 0.587 69.188 68.868 -0.446 0.000 0.991 1324 T HN 0.675 nan 8.240 nan 0.000 0.540 1325 S N 0.754 116.271 115.700 -0.305 0.000 2.462 1325 S HA 0.301 4.770 4.470 -0.001 0.000 0.294 1325 S C -0.144 174.355 174.600 -0.168 0.000 1.144 1325 S CA -1.086 57.002 58.200 -0.187 0.000 1.088 1325 S CB 0.699 63.816 63.200 -0.139 0.000 1.009 1325 S HN 0.671 nan 8.310 nan 0.000 0.484 1326 N N 2.434 121.048 118.700 -0.144 0.000 2.406 1326 N HA 0.173 4.913 4.740 -0.001 0.000 0.274 1326 N C 1.277 176.726 175.510 -0.102 0.000 1.249 1326 N CA 0.222 53.189 53.050 -0.140 0.000 0.951 1326 N CB 0.655 39.072 38.487 -0.116 0.000 1.241 1326 N HN 0.795 nan 8.380 nan 0.000 0.485 1327 A N 4.963 127.732 122.820 -0.085 0.000 1.892 1327 A HA -0.222 4.098 4.320 -0.001 0.000 0.218 1327 A C 2.123 179.822 177.584 0.192 0.000 1.188 1327 A CA 1.569 53.618 52.037 0.021 0.000 0.631 1327 A CB -0.357 18.720 19.000 0.129 0.000 0.822 1327 A HN 0.734 nan 8.150 nan 0.000 0.447 1328 K N -0.612 119.853 120.400 0.109 0.000 2.032 1328 K HA -0.176 4.143 4.320 -0.001 0.000 0.209 1328 K C 2.080 178.715 176.600 0.059 0.000 1.048 1328 K CA 1.816 58.159 56.287 0.093 0.000 0.927 1328 K CB -0.176 32.315 32.500 -0.013 0.000 0.712 1328 K HN 0.648 nan 8.250 nan 0.000 0.441 1329 E N 0.112 120.307 120.200 -0.007 0.000 2.106 1329 E HA -0.180 4.170 4.350 -0.001 0.000 0.192 1329 E C 1.841 178.414 176.600 -0.045 0.000 0.984 1329 E CA 0.941 57.320 56.400 -0.036 0.000 0.806 1329 E CB 0.133 29.799 29.700 -0.058 0.000 0.750 1329 E HN 0.324 nan 8.360 nan 0.000 0.458 1330 E N -0.305 119.858 120.200 -0.062 0.000 2.230 1330 E HA -0.072 4.278 4.350 -0.001 0.000 0.192 1330 E C 1.592 178.099 176.600 -0.156 0.000 0.987 1330 E CA 0.272 56.593 56.400 -0.131 0.000 0.841 1330 E CB 0.034 29.618 29.700 -0.192 0.000 0.783 1330 E HN 0.236 nan 8.360 nan 0.000 0.481 1331 F N 0.617 120.514 119.950 -0.087 0.000 2.365 1331 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 1331 F C 2.125 177.857 175.800 -0.114 0.000 1.090 1331 F CA 0.731 58.678 58.000 -0.089 0.000 1.408 1331 F CB 0.191 39.140 39.000 -0.084 0.000 1.060 1331 F HN 0.003 nan 8.300 nan 0.000 0.534 1332 A N -0.491 122.354 122.820 0.041 0.000 2.275 1332 A HA 0.108 4.428 4.320 -0.001 0.000 0.212 1332 A C 1.813 179.321 177.584 -0.126 0.000 1.201 1332 A CA 0.065 52.070 52.037 -0.054 0.000 0.843 1332 A CB -0.270 18.694 19.000 -0.059 0.000 0.873 1332 A HN 0.260 nan 8.150 nan 0.000 0.492 1333 R N -1.276 119.150 120.500 -0.123 0.000 2.397 1333 R HA 0.249 4.589 4.340 -0.001 0.000 0.241 1333 R C 1.136 177.325 176.300 -0.185 0.000 0.914 1333 R CA 0.539 56.543 56.100 -0.160 0.000 1.071 1333 R CB 0.354 30.583 30.300 -0.119 0.000 1.116 1333 R HN 0.585 nan 8.270 nan 0.000 0.524 1334 G N 1.728 110.422 108.800 -0.177 0.000 2.176 1334 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.253 1334 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.253 1334 G C 0.101 174.986 174.900 -0.024 0.000 0.979 1334 G CA -0.318 44.678 45.100 -0.174 0.000 0.641 1334 G HN 0.091 nan 8.290 nan 0.000 0.530 1335 R N 1.337 121.784 120.500 -0.089 0.000 2.537 1335 R HA 0.357 4.697 4.340 -0.001 0.000 0.280 1335 R C 0.618 176.779 176.300 -0.232 0.000 1.058 1335 R CA 0.162 56.184 56.100 -0.130 0.000 1.057 1335 R CB 0.354 30.538 30.300 -0.194 0.000 0.973 1335 R HN 0.634 nan 8.270 nan 0.000 0.438 1336 E N 3.453 123.567 120.200 -0.143 0.000 2.250 1336 E HA 0.292 4.642 4.350 -0.001 0.000 0.269 1336 E C -2.218 174.259 176.600 -0.205 0.000 1.018 1336 E CA -2.007 54.313 56.400 -0.134 0.000 0.873 1336 E CB 0.719 30.416 29.700 -0.005 0.000 1.134 1336 E HN 0.209 nan 8.360 nan 0.000 0.403 1337 P HA -0.040 nan 4.420 nan 0.000 0.264 1337 P C 0.570 177.847 177.300 -0.039 0.000 1.193 1337 P CA 0.975 64.007 63.100 -0.113 0.000 0.763 1337 P CB 0.370 32.082 31.700 0.021 0.000 0.810 1338 G N 2.773 111.556 108.800 -0.029 0.000 2.205 1338 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.261 1338 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.261 1338 G C 0.368 175.316 174.900 0.079 0.000 0.980 1338 G CA 0.033 45.161 45.100 0.047 0.000 0.632 1338 G HN 0.569 nan 8.290 nan 0.000 0.533 1339 E N -0.169 120.045 120.200 0.023 0.000 2.815 1339 E HA 0.472 4.822 4.350 -0.001 0.000 0.211 1339 E C 1.587 178.171 176.600 -0.026 0.000 1.004 1339 E CA -0.230 56.186 56.400 0.026 0.000 1.173 1339 E CB 0.157 29.871 29.700 0.023 0.000 1.163 1339 E HN 0.585 nan 8.360 nan 0.000 0.449 1340 M N -0.840 118.736 119.600 -0.040 0.000 2.313 1340 M HA 0.226 4.705 4.480 -0.001 0.000 0.273 1340 M C 0.713 176.997 176.300 -0.028 0.000 1.049 1340 M CA 0.079 55.333 55.300 -0.078 0.000 1.004 1340 M CB 0.964 33.478 32.600 -0.143 0.000 1.461 1340 M HN -0.116 nan 8.290 nan 0.000 0.514 1341 S N 2.214 117.929 115.700 0.024 0.000 2.516 1341 S HA 0.473 4.943 4.470 -0.001 0.000 0.268 1341 S C -0.547 174.093 174.600 0.068 0.000 1.251 1341 S CA -0.676 57.563 58.200 0.064 0.000 1.153 1341 S CB 0.141 63.411 63.200 0.116 0.000 1.009 1341 S HN 0.370 nan 8.310 nan 0.000 0.479 1342 R N 4.088 124.592 120.500 0.006 0.000 2.310 1342 R HA 0.347 4.686 4.340 -0.001 0.000 0.316 1342 R C -2.393 173.843 176.300 -0.106 0.000 1.004 1342 R CA -1.894 54.178 56.100 -0.047 0.000 0.900 1342 R CB 0.917 31.174 30.300 -0.072 0.000 1.152 1342 R HN 0.247 nan 8.270 nan 0.000 0.513 1343 P HA -0.132 nan 4.420 nan 0.000 0.222 1343 P C 0.556 177.576 177.300 -0.467 0.000 1.147 1343 P CA 1.181 64.131 63.100 -0.250 0.000 0.790 1343 P CB 0.444 31.998 31.700 -0.243 0.000 0.780 1344 T N -6.937 107.293 114.554 -0.540 0.000 3.016 1344 T HA 0.169 4.519 4.350 -0.001 0.000 0.271 1344 T C 0.806 175.270 174.700 -0.394 0.000 0.968 1344 T CA -0.245 61.497 62.100 -0.597 0.000 0.891 1344 T CB -0.595 67.711 68.868 -0.936 0.000 1.149 1344 T HN -0.089 nan 8.240 nan 0.000 0.524 1345 S N 1.735 117.269 115.700 -0.276 0.000 2.549 1345 S HA 0.046 4.516 4.470 -0.001 0.000 0.278 1345 S C 1.570 176.087 174.600 -0.139 0.000 1.344 1345 S CA 0.354 58.451 58.200 -0.173 0.000 1.025 1345 S CB 0.290 63.424 63.200 -0.110 0.000 0.851 1345 S HN 0.443 nan 8.310 nan 0.000 0.530 1346 T N 2.518 117.021 114.554 -0.085 0.000 2.915 1346 T HA -0.057 4.293 4.350 -0.001 0.000 0.269 1346 T C 1.650 176.319 174.700 -0.051 0.000 1.071 1346 T CA 1.693 63.758 62.100 -0.059 0.000 1.132 1346 T CB -0.416 68.441 68.868 -0.018 0.000 0.878 1346 T HN 0.802 nan 8.240 nan 0.000 0.479 1347 T N 1.810 116.336 114.554 -0.047 0.000 3.129 1347 T HA 0.081 4.430 4.350 -0.001 0.000 0.251 1347 T C 0.823 175.491 174.700 -0.053 0.000 1.117 1347 T CA -0.379 61.696 62.100 -0.042 0.000 1.034 1347 T CB -0.265 68.585 68.868 -0.029 0.000 0.968 1347 T HN 0.560 nan 8.240 nan 0.000 0.526 1348 R N 3.122 123.582 120.500 -0.067 0.000 2.504 1348 R HA 0.053 4.393 4.340 -0.001 0.000 0.291 1348 R C 0.372 176.643 176.300 -0.049 0.000 0.974 1348 R CA 0.535 56.597 56.100 -0.064 0.000 1.077 1348 R CB -0.027 30.221 30.300 -0.087 0.000 0.926 1348 R HN 0.259 nan 8.270 nan 0.000 0.407 1349 N N 1.406 120.081 118.700 -0.042 0.000 2.129 1349 N HA 0.165 4.905 4.740 -0.001 0.000 0.222 1349 N C -0.114 175.374 175.510 -0.036 0.000 1.303 1349 N CA 0.262 53.288 53.050 -0.040 0.000 0.897 1349 N CB 1.401 39.856 38.487 -0.052 0.000 1.093 1349 N HN 0.775 nan 8.380 nan 0.000 0.501 1350 G N 0.003 108.787 108.800 -0.027 0.000 2.355 1350 G HA2 0.378 4.338 3.960 -0.001 0.000 0.296 1350 G HA3 0.378 4.338 3.960 -0.001 0.000 0.296 1350 G C -1.358 173.542 174.900 -0.001 0.000 1.507 1350 G CA -0.830 44.248 45.100 -0.037 0.000 0.823 1350 G HN 0.228 nan 8.290 nan 0.000 0.569 1351 F N -0.191 119.746 119.950 -0.023 0.000 2.321 1351 F HA 0.929 5.456 4.527 -0.001 0.000 0.318 1351 F C 0.088 175.868 175.800 -0.033 0.000 1.129 1351 F CA -1.779 56.212 58.000 -0.014 0.000 1.074 1351 F CB 1.134 40.147 39.000 0.022 0.000 1.432 1351 F HN 0.476 nan 8.300 nan 0.000 0.502 1352 M N 2.285 122.166 119.600 0.468 0.000 2.114 1352 M HA 0.318 4.797 4.480 -0.001 0.000 0.332 1352 M C -0.732 175.775 176.300 0.344 0.000 1.014 1352 M CA -0.820 54.622 55.300 0.238 0.000 0.956 1352 M CB 0.547 33.246 32.600 0.164 0.000 1.551 1352 M HN 0.599 nan 8.290 nan 0.000 0.427 1353 E N 1.932 122.222 120.200 0.150 0.000 2.413 1353 E HA 0.251 4.601 4.350 -0.001 0.000 0.263 1353 E C -0.957 175.688 176.600 0.076 0.000 1.015 1353 E CA 0.308 56.810 56.400 0.171 0.000 0.916 1353 E CB 0.822 30.648 29.700 0.211 0.000 0.947 1353 E HN 0.695 nan 8.360 nan 0.000 0.440 1354 S N 1.138 116.916 115.700 0.130 0.000 2.565 1354 S HA 0.347 4.816 4.470 -0.001 0.000 0.269 1354 S C -1.556 173.148 174.600 0.172 0.000 1.153 1354 S CA -0.774 57.496 58.200 0.117 0.000 0.835 1354 S CB 1.204 64.519 63.200 0.192 0.000 1.122 1354 S HN 0.476 nan 8.310 nan 0.000 0.462 1355 Q N 1.202 121.111 119.800 0.182 0.000 2.458 1355 Q HA 0.896 5.236 4.340 -0.001 0.000 0.282 1355 Q C 0.035 176.100 176.000 0.109 0.000 1.106 1355 Q CA -0.779 55.132 55.803 0.181 0.000 0.814 1355 Q CB 1.753 30.645 28.738 0.257 0.000 1.425 1355 Q HN 1.280 nan 8.270 nan 0.000 0.437 1356 G N -0.633 108.176 108.800 0.014 0.000 2.343 1356 G HA2 0.231 4.190 3.960 -0.001 0.000 0.465 1356 G HA3 0.231 4.190 3.960 -0.001 0.000 0.465 1356 G C -0.800 174.198 174.900 0.164 0.000 1.282 1356 G CA -0.487 44.609 45.100 -0.007 0.000 0.996 1356 G HN 1.557 nan 8.290 nan 0.000 0.521 1357 C N -1.169 118.305 119.300 0.289 0.000 3.285 1357 C HA 1.122 5.582 4.460 -0.001 0.000 0.320 1357 C C 0.375 175.653 174.990 0.480 0.000 1.411 1357 C CA 0.291 59.498 59.018 0.315 0.000 1.429 1357 C CB 1.425 29.394 27.740 0.381 0.000 1.812 1357 C HN 2.746 nan 8.230 nan 0.000 0.454 1358 G N 0.545 109.548 108.800 0.339 0.000 2.760 1358 G HA2 0.640 4.599 3.960 -0.001 0.000 0.296 1358 G HA3 0.640 4.599 3.960 -0.001 0.000 0.296 1358 G C -1.795 173.243 174.900 0.230 0.000 1.427 1358 G CA -0.276 45.044 45.100 0.366 0.000 1.109 1358 G HN 1.212 nan 8.290 nan 0.000 0.553 1359 V N 1.904 121.934 119.914 0.194 0.000 3.001 1359 V HA 0.797 4.917 4.120 -0.001 0.000 0.314 1359 V C -0.835 175.319 176.094 0.101 0.000 1.099 1359 V CA -0.838 61.552 62.300 0.150 0.000 0.989 1359 V CB 2.156 34.076 31.823 0.163 0.000 1.040 1359 V HN 0.934 nan 8.190 nan 0.000 0.434 1360 Q N 1.808 121.658 119.800 0.083 0.000 2.281 1360 Q HA 0.580 4.920 4.340 -0.001 0.000 0.263 1360 Q C -1.351 174.688 176.000 0.065 0.000 0.989 1360 Q CA -0.595 55.236 55.803 0.047 0.000 0.852 1360 Q CB 2.162 30.918 28.738 0.030 0.000 1.337 1360 Q HN 0.622 nan 8.270 nan 0.000 0.418 1361 V N 4.339 124.296 119.914 0.071 0.000 2.498 1361 V HA 0.646 4.765 4.120 -0.001 0.000 0.279 1361 V C -0.181 175.963 176.094 0.084 0.000 1.048 1361 V CA -0.397 61.955 62.300 0.086 0.000 0.967 1361 V CB 0.571 32.471 31.823 0.128 0.000 0.988 1361 V HN 0.780 nan 8.190 nan 0.000 0.473 1362 I N 4.491 125.102 120.570 0.069 0.000 2.603 1362 I HA 0.734 4.904 4.170 -0.001 0.000 0.300 1362 I C -0.531 175.622 176.117 0.060 0.000 1.017 1362 I CA -0.909 60.436 61.300 0.074 0.000 1.098 1362 I CB 2.195 40.245 38.000 0.083 0.000 1.279 1362 I HN 0.645 nan 8.210 nan 0.000 0.437 1363 M N 2.463 122.106 119.600 0.072 0.000 2.664 1363 M HA 0.387 4.867 4.480 -0.001 0.000 0.279 1363 M C -0.518 175.818 176.300 0.059 0.000 1.275 1363 M CA -0.654 54.684 55.300 0.063 0.000 0.829 1363 M CB 2.961 35.613 32.600 0.088 0.000 1.727 1363 M HN 0.628 nan 8.290 nan 0.000 0.459 1364 T N 1.236 115.819 114.554 0.048 0.000 2.901 1364 T HA 0.187 4.537 4.350 -0.001 0.000 0.301 1364 T C 1.132 175.862 174.700 0.049 0.000 1.012 1364 T CA 0.274 62.401 62.100 0.046 0.000 1.135 1364 T CB 1.231 70.121 68.868 0.036 0.000 0.936 1364 T HN 0.736 nan 8.240 nan 0.000 0.539 1365 A N 3.244 126.099 122.820 0.057 0.000 1.927 1365 A HA -0.220 4.099 4.320 -0.001 0.000 0.220 1365 A C 2.241 179.841 177.584 0.026 0.000 1.185 1365 A CA 1.735 53.798 52.037 0.042 0.000 0.639 1365 A CB -0.639 18.407 19.000 0.078 0.000 0.820 1365 A HN 0.919 nan 8.150 nan 0.000 0.451 1366 Q N -0.970 118.852 119.800 0.036 0.000 1.927 1366 Q HA -0.186 4.153 4.340 -0.001 0.000 0.210 1366 Q C 2.182 178.196 176.000 0.023 0.000 1.001 1366 Q CA 1.551 57.373 55.803 0.032 0.000 0.862 1366 Q CB -0.461 28.299 28.738 0.037 0.000 0.934 1366 Q HN 0.643 nan 8.270 nan 0.000 0.420 1367 L N 0.507 121.747 121.223 0.030 0.000 2.089 1367 L HA -0.278 4.061 4.340 -0.001 0.000 0.213 1367 L C 2.224 179.082 176.870 -0.019 0.000 1.079 1367 L CA 1.959 56.809 54.840 0.016 0.000 0.758 1367 L CB -0.924 41.169 42.059 0.057 0.000 0.891 1367 L HN 0.306 nan 8.230 nan 0.000 0.433 1368 A N 0.208 123.039 122.820 0.018 0.000 1.841 1368 A HA -0.251 4.069 4.320 -0.001 0.000 0.216 1368 A C 2.173 179.789 177.584 0.054 0.000 1.199 1368 A CA 2.040 54.099 52.037 0.036 0.000 0.621 1368 A CB -0.897 18.126 19.000 0.039 0.000 0.835 1368 A HN 0.507 nan 8.150 nan 0.000 0.445 1369 L N -0.843 120.389 121.223 0.015 0.000 2.141 1369 L HA -0.158 4.182 4.340 -0.001 0.000 0.209 1369 L C 2.621 179.554 176.870 0.106 0.000 1.094 1369 L CA 1.620 56.479 54.840 0.032 0.000 0.763 1369 L CB -0.475 41.532 42.059 -0.087 0.000 0.908 1369 L HN 0.659 nan 8.230 nan 0.000 0.437 1370 E N 0.529 120.738 120.200 0.014 0.000 2.072 1370 E HA -0.230 4.120 4.350 -0.001 0.000 0.191 1370 E C 2.329 178.832 176.600 -0.162 0.000 0.985 1370 E CA 1.199 57.586 56.400 -0.022 0.000 0.801 1370 E CB -0.011 29.678 29.700 -0.017 0.000 0.750 1370 E HN 0.428 nan 8.360 nan 0.000 0.452 1371 M N -0.552 118.838 119.600 -0.349 0.000 2.132 1371 M HA 0.024 4.504 4.480 -0.001 0.000 0.263 1371 M C 1.132 177.326 176.300 -0.176 0.000 1.065 1371 M CA 1.268 56.212 55.300 -0.593 0.000 1.122 1371 M CB 0.126 32.382 32.600 -0.573 0.000 1.365 1371 M HN 0.347 nan 8.290 nan 0.000 0.411 1372 G N 1.752 110.557 108.800 0.009 0.000 2.520 1372 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.264 1372 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.264 1372 G C -0.364 174.527 174.900 -0.016 0.000 1.140 1372 G CA -0.043 45.088 45.100 0.052 0.000 1.012 1372 G HN 0.476 nan 8.290 nan 0.000 0.511 1373 V N -2.253 117.708 119.914 0.079 0.000 2.815 1373 V HA 0.932 5.052 4.120 -0.001 0.000 0.314 1373 V C -1.762 174.321 176.094 -0.018 0.000 1.064 1373 V CA -3.033 59.247 62.300 -0.034 0.000 0.952 1373 V CB 1.922 33.731 31.823 -0.022 0.000 1.020 1373 V HN 0.147 nan 8.190 nan 0.000 0.439 1374 P HA 0.327 nan 4.420 nan 0.000 0.269 1374 P C -0.724 176.549 177.300 -0.045 0.000 1.217 1374 P CA 0.268 63.175 63.100 -0.321 0.000 0.783 1374 P CB 0.288 31.490 31.700 -0.831 0.000 0.898 1375 I N 1.688 122.263 120.570 0.008 0.000 2.468 1375 I HA 0.204 4.374 4.170 -0.001 0.000 0.284 1375 I C 0.298 176.381 176.117 -0.057 0.000 1.038 1375 I CA -0.425 60.906 61.300 0.051 0.000 1.083 1375 I CB 1.480 39.538 38.000 0.096 0.000 1.223 1375 I HN 0.369 nan 8.210 nan 0.000 0.443 1376 Y N 4.452 124.751 120.300 -0.001 0.000 2.475 1376 Y HA 0.275 4.824 4.550 -0.001 0.000 0.289 1376 Y C 1.520 177.385 175.900 -0.058 0.000 1.121 1376 Y CA 0.706 58.786 58.100 -0.032 0.000 1.257 1376 Y CB 0.512 38.952 38.460 -0.034 0.000 1.026 1376 Y HN 0.663 nan 8.280 nan 0.000 0.555 1377 G N -0.752 108.088 108.800 0.067 0.000 2.313 1377 G HA2 0.356 4.316 3.960 -0.001 0.000 0.296 1377 G HA3 0.356 4.316 3.960 -0.001 0.000 0.296 1377 G C -1.932 172.928 174.900 -0.067 0.000 1.356 1377 G CA -1.033 44.062 45.100 -0.009 0.000 0.833 1377 G HN -0.102 nan 8.290 nan 0.000 0.552 1378 I N 0.835 121.300 120.570 -0.175 0.000 2.362 1378 I HA 0.316 4.486 4.170 -0.001 0.000 0.289 1378 I C 0.238 176.241 176.117 -0.190 0.000 0.994 1378 I CA -1.016 60.148 61.300 -0.227 0.000 1.158 1378 I CB 2.011 39.703 38.000 -0.512 0.000 1.315 1378 I HN 0.181 nan 8.210 nan 0.000 0.451 1379 V N 6.987 126.854 119.914 -0.079 0.000 2.377 1379 V HA 0.014 4.134 4.120 -0.001 0.000 0.254 1379 V C 1.303 177.328 176.094 -0.114 0.000 1.060 1379 V CA 0.422 62.653 62.300 -0.115 0.000 1.068 1379 V CB 0.256 32.050 31.823 -0.048 0.000 1.113 1379 V HN 1.011 nan 8.190 nan 0.000 0.484 1380 A N 5.399 128.099 122.820 -0.200 0.000 1.872 1380 A HA 0.146 4.465 4.320 -0.001 0.000 0.214 1380 A C 0.944 178.493 177.584 -0.059 0.000 1.187 1380 A CA 1.313 53.298 52.037 -0.086 0.000 0.614 1380 A CB 0.113 18.997 19.000 -0.192 0.000 0.826 1380 A HN 0.703 nan 8.150 nan 0.000 0.442 1381 M N -0.815 118.638 119.600 -0.246 0.000 2.534 1381 M HA 0.466 4.946 4.480 -0.001 0.000 0.280 1381 M C -1.885 174.191 176.300 -0.374 0.000 1.217 1381 M CA -0.074 55.071 55.300 -0.259 0.000 0.893 1381 M CB 2.005 34.512 32.600 -0.155 0.000 1.730 1381 M HN 0.357 nan 8.290 nan 0.000 0.483 1382 T N 0.125 114.448 114.554 -0.385 0.000 2.883 1382 T HA 0.921 5.270 4.350 -0.001 0.000 0.301 1382 T C -0.974 173.651 174.700 -0.125 0.000 1.158 1382 T CA -0.242 61.693 62.100 -0.275 0.000 1.007 1382 T CB 1.773 70.445 68.868 -0.328 0.000 1.186 1382 T HN 1.156 nan 8.240 nan 0.000 0.499 1383 S N -0.009 115.630 115.700 -0.102 0.000 2.586 1383 S HA 0.718 5.188 4.470 -0.001 0.000 0.277 1383 S C -0.764 173.786 174.600 -0.084 0.000 1.131 1383 S CA -0.820 57.346 58.200 -0.058 0.000 0.848 1383 S CB 1.134 64.311 63.200 -0.039 0.000 1.091 1383 S HN 1.479 nan 8.310 nan 0.000 0.453 1384 T N -1.072 113.446 114.554 -0.061 0.000 2.912 1384 T HA 0.947 5.297 4.350 -0.001 0.000 0.288 1384 T C -0.330 174.331 174.700 -0.064 0.000 1.030 1384 T CA -0.624 61.430 62.100 -0.077 0.000 1.020 1384 T CB 1.536 70.371 68.868 -0.054 0.000 1.056 1384 T HN 2.004 nan 8.240 nan 0.000 0.480 1385 A N 1.654 124.428 122.820 -0.076 0.000 2.513 1385 A HA 0.683 5.003 4.320 -0.001 0.000 0.296 1385 A C -0.055 177.507 177.584 -0.035 0.000 1.052 1385 A CA -0.936 51.070 52.037 -0.051 0.000 0.714 1385 A CB 1.126 20.092 19.000 -0.057 0.000 1.279 1385 A HN 0.868 nan 8.150 nan 0.000 0.397 1386 T N 1.457 116.003 114.554 -0.013 0.000 2.847 1386 T HA 0.555 4.905 4.350 -0.001 0.000 0.279 1386 T C -0.206 174.501 174.700 0.012 0.000 0.984 1386 T CA -0.336 61.766 62.100 0.003 0.000 0.988 1386 T CB 0.620 69.492 68.868 0.006 0.000 1.040 1386 T HN 0.674 nan 8.240 nan 0.000 0.528 1387 D N -0.181 120.232 120.400 0.022 0.000 2.595 1387 D HA 0.335 4.975 4.640 -0.001 0.000 0.268 1387 D C 0.453 176.762 176.300 0.015 0.000 1.181 1387 D CA -0.734 53.281 54.000 0.024 0.000 1.085 1387 D CB 0.525 41.346 40.800 0.035 0.000 1.186 1387 D HN 0.550 nan 8.370 nan 0.000 0.621 1388 K N -0.131 120.276 120.400 0.012 0.000 2.273 1388 K HA 0.321 4.641 4.320 -0.001 0.000 0.240 1388 K C 0.322 176.928 176.600 0.010 0.000 1.056 1388 K CA -0.589 55.703 56.287 0.008 0.000 0.910 1388 K CB 0.305 32.808 32.500 0.005 0.000 1.196 1388 K HN 0.294 nan 8.250 nan 0.000 0.509 1389 I N 0.426 121.001 120.570 0.008 0.000 2.752 1389 I HA 0.099 4.269 4.170 -0.001 0.000 0.287 1389 I C 0.753 176.876 176.117 0.009 0.000 1.188 1389 I CA 1.029 62.335 61.300 0.009 0.000 1.427 1389 I CB 0.547 38.551 38.000 0.007 0.000 1.365 1389 I HN 0.912 nan 8.210 nan 0.000 0.585 1390 G N 4.953 113.760 108.800 0.012 0.000 2.488 1390 G HA2 0.423 4.382 3.960 -0.001 0.000 0.301 1390 G HA3 0.423 4.382 3.960 -0.001 0.000 0.301 1390 G C -0.388 174.521 174.900 0.015 0.000 1.339 1390 G CA -0.597 44.510 45.100 0.012 0.000 0.803 1390 G HN 0.416 nan 8.290 nan 0.000 0.482 1391 R N -0.527 119.983 120.500 0.015 0.000 2.531 1391 R HA 0.278 4.618 4.340 -0.001 0.000 0.316 1391 R C 0.645 176.960 176.300 0.024 0.000 0.955 1391 R CA -0.154 55.958 56.100 0.019 0.000 1.120 1391 R CB 0.882 31.192 30.300 0.017 0.000 1.361 1391 R HN 0.390 nan 8.270 nan 0.000 0.534 1392 S N 1.181 116.893 115.700 0.021 0.000 2.399 1392 S HA 0.198 4.668 4.470 -0.001 0.000 0.301 1392 S C 1.406 176.022 174.600 0.026 0.000 1.093 1392 S CA -0.374 57.840 58.200 0.023 0.000 1.077 1392 S CB 0.900 64.106 63.200 0.010 0.000 0.980 1392 S HN -0.055 nan 8.310 nan 0.000 0.494 1393 V N 7.484 127.428 119.914 0.051 0.000 2.515 1393 V HA -0.017 4.103 4.120 -0.001 0.000 0.250 1393 V C -1.063 175.063 176.094 0.054 0.000 1.058 1393 V CA 1.391 63.738 62.300 0.077 0.000 1.064 1393 V CB -1.069 30.829 31.823 0.127 0.000 0.675 1393 V HN 0.682 nan 8.190 nan 0.000 0.461 1394 P HA 0.205 nan 4.420 nan 0.000 0.245 1394 P C 0.411 177.550 177.300 -0.269 0.000 1.199 1394 P CA 0.470 63.381 63.100 -0.316 0.000 0.807 1394 P CB 0.062 31.533 31.700 -0.382 0.000 1.002 1395 A N 2.288 125.038 122.820 -0.118 0.000 2.550 1395 A HA 0.185 4.504 4.320 -0.001 0.000 0.263 1395 A C -1.922 175.614 177.584 -0.079 0.000 1.065 1395 A CA -0.425 51.561 52.037 -0.085 0.000 0.786 1395 A CB -1.304 17.673 19.000 -0.039 0.000 0.985 1395 A HN 0.129 nan 8.150 nan 0.000 0.518 1396 P HA 0.415 nan 4.420 nan 0.000 0.271 1396 P C 0.545 177.804 177.300 -0.068 0.000 1.216 1396 P CA 0.336 63.377 63.100 -0.098 0.000 0.771 1396 P CB 1.281 32.844 31.700 -0.227 0.000 0.864 1397 G N 1.260 110.072 108.800 0.019 0.000 3.015 1397 G HA2 0.353 4.313 3.960 -0.001 0.000 0.281 1397 G HA3 0.353 4.313 3.960 -0.001 0.000 0.281 1397 G C -1.032 173.941 174.900 0.122 0.000 1.386 1397 G CA -0.619 44.506 45.100 0.040 0.000 0.959 1397 G HN 0.393 nan 8.290 nan 0.000 0.522 1398 Q N 0.250 120.104 119.800 0.090 0.000 2.735 1398 Q HA 0.256 4.596 4.340 -0.001 0.000 0.380 1398 Q C 1.513 177.561 176.000 0.080 0.000 1.060 1398 Q CA -0.118 55.751 55.803 0.109 0.000 1.025 1398 Q CB 0.946 29.715 28.738 0.052 0.000 1.350 1398 Q HN 0.646 nan 8.270 nan 0.000 0.424 1399 G N -0.057 108.800 108.800 0.095 0.000 2.394 1399 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.214 1399 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.214 1399 G C 1.278 176.177 174.900 -0.000 0.000 1.176 1399 G CA 0.439 45.558 45.100 0.031 0.000 0.786 1399 G HN 0.358 nan 8.290 nan 0.000 0.533 1400 V N 1.391 121.300 119.914 -0.007 0.000 3.026 1400 V HA -0.040 4.080 4.120 -0.001 0.000 0.265 1400 V C 2.543 178.611 176.094 -0.044 0.000 1.121 1400 V CA 0.632 62.886 62.300 -0.078 0.000 1.142 1400 V CB -0.502 31.207 31.823 -0.191 0.000 0.730 1400 V HN 0.334 nan 8.190 nan 0.000 0.503 1401 L N 1.583 122.801 121.223 -0.009 0.000 2.127 1401 L HA -0.159 4.181 4.340 -0.001 0.000 0.211 1401 L C 2.557 179.398 176.870 -0.047 0.000 1.089 1401 L CA 2.329 57.153 54.840 -0.027 0.000 0.757 1401 L CB -0.539 41.504 42.059 -0.026 0.000 0.899 1401 L HN 0.675 nan 8.230 nan 0.000 0.434 1402 T N -4.887 109.641 114.554 -0.042 0.000 3.215 1402 T HA -0.074 4.276 4.350 -0.001 0.000 0.254 1402 T C 1.442 176.121 174.700 -0.035 0.000 1.149 1402 T CA 0.777 62.853 62.100 -0.040 0.000 1.042 1402 T CB -0.715 68.135 68.868 -0.030 0.000 0.966 1402 T HN 0.494 nan 8.240 nan 0.000 0.534 1403 T N -2.023 112.502 114.554 -0.048 0.000 3.148 1403 T HA 0.507 4.856 4.350 -0.001 0.000 0.253 1403 T C 1.360 176.023 174.700 -0.061 0.000 1.134 1403 T CA 0.161 62.227 62.100 -0.056 0.000 1.051 1403 T CB -0.147 68.670 68.868 -0.084 0.000 0.959 1403 T HN 0.460 nan 8.240 nan 0.000 0.525 1404 A N 1.777 124.574 122.820 -0.039 0.000 2.589 1404 A HA 0.390 4.709 4.320 -0.001 0.000 0.283 1404 A C 0.802 178.417 177.584 0.051 0.000 1.187 1404 A CA -0.891 51.141 52.037 -0.008 0.000 0.957 1404 A CB -0.059 18.939 19.000 -0.003 0.000 1.175 1404 A HN 0.640 nan 8.150 nan 0.000 0.532 1405 R N 0.884 121.393 120.500 0.015 0.000 2.442 1405 R HA 0.494 4.833 4.340 -0.001 0.000 0.291 1405 R C -0.454 175.895 176.300 0.081 0.000 1.069 1405 R CA 0.088 56.207 56.100 0.033 0.000 1.022 1405 R CB 0.460 30.760 30.300 0.001 0.000 0.976 1405 R HN 0.341 nan 8.270 nan 0.000 0.443 1406 E N 2.791 123.089 120.200 0.162 0.000 2.451 1406 E HA 0.123 4.473 4.350 -0.001 0.000 0.295 1406 E C -1.749 174.935 176.600 0.139 0.000 0.966 1406 E CA -0.749 55.719 56.400 0.113 0.000 0.808 1406 E CB 1.799 31.528 29.700 0.049 0.000 1.242 1406 E HN 0.680 nan 8.360 nan 0.000 0.412 1407 K N 3.350 123.797 120.400 0.079 0.000 2.484 1407 K HA 0.274 4.594 4.320 -0.001 0.000 0.226 1407 K C -0.928 175.690 176.600 0.031 0.000 1.031 1407 K CA -0.415 55.909 56.287 0.061 0.000 1.026 1407 K CB 0.798 33.332 32.500 0.058 0.000 1.412 1407 K HN 0.540 nan 8.250 nan 0.000 0.492 1408 S N 0.946 116.648 115.700 0.003 0.000 2.565 1408 S HA 0.375 4.844 4.470 -0.001 0.000 0.274 1408 S C 0.949 175.548 174.600 -0.002 0.000 1.309 1408 S CA -0.844 57.356 58.200 0.001 0.000 1.043 1408 S CB 1.687 64.876 63.200 -0.019 0.000 0.939 1408 S HN 0.557 nan 8.310 nan 0.000 0.504 1409 G N 1.686 110.496 108.800 0.018 0.000 2.913 1409 G HA2 0.043 4.003 3.960 -0.001 0.000 0.145 1409 G HA3 0.043 4.003 3.960 -0.001 0.000 0.145 1409 G C 0.786 175.666 174.900 -0.033 0.000 1.801 1409 G CA -0.246 44.864 45.100 0.018 0.000 1.033 1409 G HN 0.772 nan 8.290 nan 0.000 0.495 1410 N N -0.889 117.781 118.700 -0.051 0.000 2.415 1410 N HA 0.110 4.850 4.740 -0.001 0.000 0.174 1410 N C -0.483 174.738 175.510 -0.482 0.000 1.048 1410 N CA 0.394 53.271 53.050 -0.288 0.000 0.895 1410 N CB 0.627 38.883 38.487 -0.385 0.000 1.036 1410 N HN 0.204 nan 8.380 nan 0.000 0.449 1411 F N 1.615 121.557 119.950 -0.014 0.000 2.482 1411 F HA 0.432 4.959 4.527 -0.001 0.000 0.331 1411 F C -2.039 173.747 175.800 -0.023 0.000 1.115 1411 F CA -2.287 55.702 58.000 -0.019 0.000 0.955 1411 F CB 1.051 40.037 39.000 -0.022 0.000 1.136 1411 F HN -0.238 nan 8.300 nan 0.000 0.452 1412 P HA 0.016 nan 4.420 nan 0.000 0.266 1412 P C -0.281 177.051 177.300 0.053 0.000 1.195 1412 P CA -0.162 62.980 63.100 0.069 0.000 0.768 1412 P CB 0.674 32.405 31.700 0.052 0.000 0.838 1413 S N 3.949 119.670 115.700 0.035 0.000 2.546 1413 S HA 0.039 4.509 4.470 -0.001 0.000 0.290 1413 S C -1.234 173.318 174.600 -0.080 0.000 1.290 1413 S CA -0.854 57.343 58.200 -0.004 0.000 1.069 1413 S CB -0.178 63.052 63.200 0.051 0.000 0.846 1413 S HN 0.245 nan 8.310 nan 0.000 0.495 1414 P HA -0.134 nan 4.420 nan 0.000 0.217 1414 P C 1.201 178.282 177.300 -0.365 0.000 1.148 1414 P CA 1.260 64.053 63.100 -0.511 0.000 0.834 1414 P CB -0.028 30.931 31.700 -1.235 0.000 0.783 1415 L N -1.997 119.115 121.223 -0.184 0.000 2.265 1415 L HA -0.130 4.209 4.340 -0.001 0.000 0.215 1415 L C 2.204 179.052 176.870 -0.036 0.000 1.117 1415 L CA 0.933 55.772 54.840 -0.001 0.000 0.782 1415 L CB -0.842 41.338 42.059 0.201 0.000 0.914 1415 L HN -0.027 nan 8.230 nan 0.000 0.441 1416 L N -1.150 120.107 121.223 0.058 0.000 2.291 1416 L HA -0.055 4.284 4.340 -0.001 0.000 0.214 1416 L C 0.907 177.799 176.870 0.037 0.000 1.120 1416 L CA 0.335 55.232 54.840 0.095 0.000 0.799 1416 L CB -0.332 41.784 42.059 0.095 0.000 0.925 1416 L HN 0.164 nan 8.230 nan 0.000 0.446 1417 D N 0.788 121.192 120.400 0.008 0.000 2.325 1417 D HA 0.020 4.660 4.640 -0.001 0.000 0.251 1417 D C 1.050 177.357 176.300 0.012 0.000 1.196 1417 D CA 0.068 54.080 54.000 0.020 0.000 0.866 1417 D CB 1.408 42.225 40.800 0.027 0.000 1.101 1417 D HN 0.102 nan 8.370 nan 0.000 0.476 1418 I N 4.115 124.682 120.570 -0.005 0.000 2.454 1418 I HA -0.260 3.909 4.170 -0.001 0.000 0.254 1418 I C 1.675 177.766 176.117 -0.042 0.000 1.156 1418 I CA 1.057 62.334 61.300 -0.038 0.000 1.433 1418 I CB 0.273 38.262 38.000 -0.019 0.000 1.082 1418 I HN 0.315 nan 8.210 nan 0.000 0.432 1419 K N -0.082 120.310 120.400 -0.013 0.000 2.057 1419 K HA -0.241 4.079 4.320 -0.001 0.000 0.206 1419 K C 2.100 178.676 176.600 -0.040 0.000 1.050 1419 K CA 1.835 58.105 56.287 -0.027 0.000 0.935 1419 K CB -0.575 31.921 32.500 -0.007 0.000 0.715 1419 K HN 0.366 nan 8.250 nan 0.000 0.439 1420 Y N 2.356 122.589 120.300 -0.112 0.000 2.114 1420 Y HA -0.266 4.284 4.550 -0.001 0.000 0.282 1420 Y C 2.090 177.861 175.900 -0.215 0.000 1.165 1420 Y CA 1.584 59.604 58.100 -0.132 0.000 1.148 1420 Y CB 0.037 38.440 38.460 -0.094 0.000 0.972 1420 Y HN -0.069 nan 8.280 nan 0.000 0.504 1421 R N -0.304 120.106 120.500 -0.150 0.000 2.092 1421 R HA -0.128 4.212 4.340 -0.001 0.000 0.231 1421 R C 2.425 178.478 176.300 -0.411 0.000 1.119 1421 R CA 0.996 56.891 56.100 -0.340 0.000 0.970 1421 R CB -0.302 29.882 30.300 -0.193 0.000 0.864 1421 R HN 0.263 nan 8.270 nan 0.000 0.440 1422 R N 1.099 121.446 120.500 -0.255 0.000 2.097 1422 R HA -0.134 4.206 4.340 -0.001 0.000 0.236 1422 R C 2.228 178.365 176.300 -0.272 0.000 1.135 1422 R CA 1.611 57.584 56.100 -0.211 0.000 0.934 1422 R CB -0.381 29.840 30.300 -0.131 0.000 0.846 1422 R HN 0.257 nan 8.270 nan 0.000 0.431 1423 R N 0.263 120.582 120.500 -0.302 0.000 2.113 1423 R HA -0.175 4.165 4.340 -0.001 0.000 0.231 1423 R C 2.343 178.395 176.300 -0.414 0.000 1.129 1423 R CA 1.801 57.714 56.100 -0.312 0.000 0.915 1423 R CB -0.399 29.707 30.300 -0.323 0.000 0.837 1423 R HN 0.309 nan 8.270 nan 0.000 0.430 1424 Q N 0.558 119.958 119.800 -0.666 0.000 2.152 1424 Q HA -0.218 4.122 4.340 -0.001 0.000 0.206 1424 Q C 2.207 177.758 176.000 -0.748 0.000 0.985 1424 Q CA 1.319 56.621 55.803 -0.835 0.000 0.863 1424 Q CB -0.474 27.397 28.738 -1.444 0.000 0.904 1424 Q HN 0.277 nan 8.270 nan 0.000 0.422 1425 L N 1.134 121.940 121.223 -0.695 0.000 1.948 1425 L HA -0.162 4.177 4.340 -0.001 0.000 0.212 1425 L C 1.972 178.733 176.870 -0.181 0.000 1.074 1425 L CA 1.977 56.614 54.840 -0.338 0.000 0.753 1425 L CB -0.498 41.432 42.059 -0.214 0.000 0.888 1425 L HN 0.057 nan 8.230 nan 0.000 0.432 1426 E N -0.483 119.616 120.200 -0.168 0.000 2.409 1426 E HA -0.163 4.186 4.350 -0.001 0.000 0.198 1426 E C 2.019 178.559 176.600 -0.100 0.000 1.024 1426 E CA 0.346 56.684 56.400 -0.104 0.000 0.861 1426 E CB -0.132 29.515 29.700 -0.088 0.000 0.788 1426 E HN 0.409 nan 8.360 nan 0.000 0.521 1427 L N 0.810 121.944 121.223 -0.148 0.000 1.976 1427 L HA -0.161 4.179 4.340 -0.001 0.000 0.209 1427 L C 1.945 178.773 176.870 -0.069 0.000 1.071 1427 L CA 1.798 56.567 54.840 -0.119 0.000 0.746 1427 L CB -0.410 41.546 42.059 -0.171 0.000 0.890 1427 L HN 0.128 nan 8.230 nan 0.000 0.432 1428 R N -0.148 120.313 120.500 -0.066 0.000 2.237 1428 R HA -0.087 4.253 4.340 -0.001 0.000 0.219 1428 R C 2.134 178.427 176.300 -0.011 0.000 1.080 1428 R CA 0.550 56.642 56.100 -0.013 0.000 0.995 1428 R CB -0.254 30.071 30.300 0.042 0.000 0.875 1428 R HN 0.503 nan 8.270 nan 0.000 0.462 1429 R N -0.073 120.414 120.500 -0.022 0.000 2.090 1429 R HA -0.040 4.300 4.340 -0.001 0.000 0.228 1429 R C 2.139 178.445 176.300 0.010 0.000 1.110 1429 R CA 0.714 56.810 56.100 -0.007 0.000 0.973 1429 R CB 0.012 30.303 30.300 -0.015 0.000 0.869 1429 R HN 0.185 nan 8.270 nan 0.000 0.440 1430 Q N 0.902 120.703 119.800 0.001 0.000 1.990 1430 Q HA -0.180 4.159 4.340 -0.001 0.000 0.200 1430 Q C 2.010 178.033 176.000 0.039 0.000 0.980 1430 Q CA 1.410 57.223 55.803 0.017 0.000 0.832 1430 Q CB -0.218 28.520 28.738 0.001 0.000 0.897 1430 Q HN 0.371 nan 8.270 nan 0.000 0.427 1431 Q N -0.064 119.753 119.800 0.027 0.000 2.268 1431 Q HA -0.151 4.188 4.340 -0.001 0.000 0.210 1431 Q C 1.964 178.010 176.000 0.077 0.000 0.988 1431 Q CA 0.872 56.702 55.803 0.045 0.000 0.883 1431 Q CB -0.011 28.739 28.738 0.021 0.000 0.911 1431 Q HN 0.366 nan 8.270 nan 0.000 0.430 1432 I N -0.447 120.158 120.570 0.059 0.000 2.494 1432 I HA -0.192 3.977 4.170 -0.001 0.000 0.250 1432 I C 2.303 178.528 176.117 0.180 0.000 1.112 1432 I CA 0.660 62.005 61.300 0.075 0.000 1.438 1432 I CB -0.102 37.900 38.000 0.003 0.000 1.111 1432 I HN 0.129 nan 8.210 nan 0.000 0.431 1433 K N 0.908 121.388 120.400 0.133 0.000 2.147 1433 K HA -0.244 4.075 4.320 -0.001 0.000 0.205 1433 K C 2.118 178.821 176.600 0.172 0.000 1.049 1433 K CA 1.583 57.960 56.287 0.150 0.000 0.936 1433 K CB 0.045 32.602 32.500 0.095 0.000 0.722 1433 K HN 0.478 nan 8.250 nan 0.000 0.446 1434 Q N -0.999 118.896 119.800 0.159 0.000 2.137 1434 Q HA -0.184 4.156 4.340 -0.001 0.000 0.198 1434 Q C 1.993 178.099 176.000 0.177 0.000 0.960 1434 Q CA 1.089 56.975 55.803 0.139 0.000 0.847 1434 Q CB -0.654 28.147 28.738 0.104 0.000 0.915 1434 Q HN 0.471 nan 8.270 nan 0.000 0.448 1435 W N 2.442 123.760 121.300 0.030 0.000 2.358 1435 W HA -0.159 4.501 4.660 -0.001 0.000 0.303 1435 W C 2.222 178.761 176.519 0.034 0.000 1.208 1435 W CA 1.928 59.286 57.345 0.021 0.000 1.274 1435 W CB 0.049 29.511 29.460 0.003 0.000 1.138 1435 W HN 0.097 nan 8.180 nan 0.000 0.515 1436 K N 0.150 120.815 120.400 0.442 0.000 2.113 1436 K HA -0.285 4.035 4.320 -0.001 0.000 0.208 1436 K C 1.746 178.384 176.600 0.064 0.000 1.047 1436 K CA 2.139 58.582 56.287 0.260 0.000 0.928 1436 K CB -0.157 32.559 32.500 0.361 0.000 0.716 1436 K HN 0.086 nan 8.250 nan 0.000 0.446 1437 E N 0.003 120.278 120.200 0.124 0.000 2.033 1437 E HA -0.071 4.279 4.350 -0.001 0.000 0.189 1437 E C 1.911 178.524 176.600 0.021 0.000 0.979 1437 E CA 0.995 57.489 56.400 0.156 0.000 0.802 1437 E CB -0.412 29.346 29.700 0.098 0.000 0.763 1437 E HN 0.213 nan 8.360 nan 0.000 0.449 1438 S N 0.238 115.893 115.700 -0.076 0.000 2.407 1438 S HA -0.289 4.181 4.470 -0.001 0.000 0.235 1438 S C 1.915 176.377 174.600 -0.229 0.000 1.036 1438 S CA 1.906 60.028 58.200 -0.129 0.000 1.013 1438 S CB -0.153 62.963 63.200 -0.139 0.000 0.820 1438 S HN 0.206 nan 8.310 nan 0.000 0.476 1439 E N -0.658 119.241 120.200 -0.501 0.000 2.112 1439 E HA -0.004 4.346 4.350 -0.001 0.000 0.190 1439 E C 1.606 178.048 176.600 -0.264 0.000 0.979 1439 E CA 1.015 57.067 56.400 -0.579 0.000 0.814 1439 E CB -0.449 28.530 29.700 -1.202 0.000 0.762 1439 E HN 0.684 nan 8.360 nan 0.000 0.460 1440 Y N 0.216 120.406 120.300 -0.184 0.000 2.165 1440 Y HA -0.179 4.371 4.550 -0.001 0.000 0.286 1440 Y C 2.126 178.004 175.900 -0.036 0.000 1.155 1440 Y CA 1.491 59.546 58.100 -0.075 0.000 1.164 1440 Y CB -0.554 37.873 38.460 -0.054 0.000 0.978 1440 Y HN 0.126 nan 8.280 nan 0.000 0.513 1441 L N -1.184 120.116 121.223 0.129 0.000 1.956 1441 L HA -0.314 4.026 4.340 -0.001 0.000 0.216 1441 L C 2.299 179.206 176.870 0.062 0.000 1.073 1441 L CA 1.936 56.818 54.840 0.070 0.000 0.762 1441 L CB -0.916 41.168 42.059 0.042 0.000 0.889 1441 L HN 0.298 nan 8.230 nan 0.000 0.433 1442 Y N -0.605 119.653 120.300 -0.069 0.000 2.181 1442 Y HA -0.321 4.229 4.550 -0.001 0.000 0.284 1442 Y C 2.247 178.114 175.900 -0.056 0.000 1.179 1442 Y CA 1.787 59.841 58.100 -0.076 0.000 1.179 1442 Y CB -0.056 38.333 38.460 -0.118 0.000 0.973 1442 Y HN 0.191 nan 8.280 nan 0.000 0.519 1443 L N -0.639 120.665 121.223 0.135 0.000 2.109 1443 L HA -0.201 4.139 4.340 -0.001 0.000 0.207 1443 L C 2.424 179.315 176.870 0.036 0.000 1.086 1443 L CA 1.318 56.216 54.840 0.096 0.000 0.760 1443 L CB -0.533 41.579 42.059 0.088 0.000 0.910 1443 L HN 0.233 nan 8.230 nan 0.000 0.437 1444 Q N 0.675 120.495 119.800 0.032 0.000 2.077 1444 Q HA -0.245 4.094 4.340 -0.001 0.000 0.206 1444 Q C 1.934 177.899 176.000 -0.060 0.000 0.989 1444 Q CA 1.991 57.796 55.803 0.002 0.000 0.853 1444 Q CB -0.018 28.725 28.738 0.009 0.000 0.907 1444 Q HN 0.468 nan 8.270 nan 0.000 0.418 1445 E N -0.104 120.029 120.200 -0.112 0.000 2.007 1445 E HA -0.231 4.119 4.350 -0.001 0.000 0.194 1445 E C 1.946 178.430 176.600 -0.194 0.000 0.999 1445 E CA 1.170 57.468 56.400 -0.170 0.000 0.811 1445 E CB -0.333 29.215 29.700 -0.254 0.000 0.762 1445 E HN 0.484 nan 8.360 nan 0.000 0.450 1446 E N 1.057 121.111 120.200 -0.245 0.000 2.273 1446 E HA -0.200 4.150 4.350 -0.001 0.000 0.198 1446 E C 2.004 178.492 176.600 -0.187 0.000 1.002 1446 E CA 0.694 56.968 56.400 -0.210 0.000 0.828 1446 E CB 0.144 29.753 29.700 -0.152 0.000 0.747 1446 E HN 0.048 nan 8.360 nan 0.000 0.491 1447 V N 1.030 120.858 119.914 -0.144 0.000 2.223 1447 V HA -0.263 3.857 4.120 -0.001 0.000 0.244 1447 V C 2.328 178.304 176.094 -0.197 0.000 1.045 1447 V CA 2.103 64.303 62.300 -0.168 0.000 1.000 1447 V CB -0.671 31.109 31.823 -0.071 0.000 0.635 1447 V HN 0.461 nan 8.190 nan 0.000 0.445 1448 A N -0.789 121.946 122.820 -0.141 0.000 2.206 1448 A HA 0.259 4.579 4.320 -0.001 0.000 0.211 1448 A C 2.143 179.641 177.584 -0.143 0.000 1.158 1448 A CA 1.213 53.173 52.037 -0.128 0.000 0.761 1448 A CB -0.444 18.502 19.000 -0.090 0.000 0.801 1448 A HN 0.567 nan 8.150 nan 0.000 0.473 1449 A N -0.218 122.502 122.820 -0.166 0.000 2.119 1449 A HA 0.193 4.513 4.320 -0.001 0.000 0.216 1449 A C 1.610 179.085 177.584 -0.181 0.000 1.152 1449 A CA 1.067 53.008 52.037 -0.161 0.000 0.708 1449 A CB -0.351 18.546 19.000 -0.173 0.000 0.805 1449 A HN 0.508 nan 8.150 nan 0.000 0.460 1450 I N -1.912 118.510 120.570 -0.247 0.000 4.018 1450 I HA 0.079 4.248 4.170 -0.001 0.000 0.337 1450 I C 1.623 177.565 176.117 -0.292 0.000 1.327 1450 I CA 0.112 61.230 61.300 -0.303 0.000 1.100 1450 I CB 0.216 37.931 38.000 -0.474 0.000 1.025 1450 I HN 0.087 nan 8.210 nan 0.000 0.396 1451 K N 1.220 121.485 120.400 -0.225 0.000 2.167 1451 K HA -0.034 4.286 4.320 -0.001 0.000 0.203 1451 K C 2.264 178.800 176.600 -0.105 0.000 1.052 1451 K CA 1.537 57.733 56.287 -0.153 0.000 0.956 1451 K CB 0.014 32.443 32.500 -0.119 0.000 0.735 1451 K HN 0.335 nan 8.250 nan 0.000 0.451 1452 S N 0.644 116.281 115.700 -0.105 0.000 2.461 1452 S HA -0.078 4.392 4.470 -0.001 0.000 0.228 1452 S C 1.718 176.276 174.600 -0.070 0.000 1.005 1452 S CA 0.515 58.669 58.200 -0.077 0.000 0.942 1452 S CB 0.020 63.176 63.200 -0.074 0.000 0.776 1452 S HN 0.263 nan 8.310 nan 0.000 0.514 1453 Q N 0.215 119.963 119.800 -0.088 0.000 2.396 1453 Q HA 0.258 4.597 4.340 -0.001 0.000 0.209 1453 Q C 0.745 176.711 176.000 -0.057 0.000 0.906 1453 Q CA -0.192 55.569 55.803 -0.071 0.000 0.927 1453 Q CB 0.224 28.911 28.738 -0.084 0.000 1.069 1453 Q HN 0.391 nan 8.270 nan 0.000 0.523 1454 R N 2.548 123.008 120.500 -0.066 0.000 2.421 1454 R HA 0.057 4.396 4.340 -0.001 0.000 0.305 1454 R C -0.433 175.864 176.300 -0.005 0.000 1.039 1454 R CA 0.036 56.120 56.100 -0.026 0.000 1.003 1454 R CB 0.467 30.756 30.300 -0.017 0.000 0.959 1454 R HN 0.120 nan 8.270 nan 0.000 0.427 1455 S N 2.935 118.641 115.700 0.009 0.000 2.624 1455 S HA 0.041 4.510 4.470 -0.001 0.000 0.263 1455 S C 0.672 175.283 174.600 0.020 0.000 1.287 1455 S CA -0.697 57.509 58.200 0.010 0.000 0.990 1455 S CB 1.052 64.258 63.200 0.010 0.000 0.950 1455 S HN 0.663 nan 8.310 nan 0.000 0.561 1456 E N 0.437 120.645 120.200 0.013 0.000 2.435 1456 E HA -0.035 4.314 4.350 -0.001 0.000 0.195 1456 E C 1.121 177.730 176.600 0.016 0.000 1.029 1456 E CA 0.820 57.229 56.400 0.015 0.000 0.865 1456 E CB -0.602 29.103 29.700 0.008 0.000 0.833 1456 E HN 0.886 nan 8.360 nan 0.000 0.510 1457 E N 0.885 121.095 120.200 0.016 0.000 2.385 1457 E HA 0.025 4.375 4.350 -0.001 0.000 0.194 1457 E C -0.084 176.528 176.600 0.020 0.000 1.013 1457 E CA 0.226 56.634 56.400 0.014 0.000 0.866 1457 E CB -0.030 29.676 29.700 0.011 0.000 0.832 1457 E HN 0.095 nan 8.360 nan 0.000 0.500 1458 D N 1.704 122.124 120.400 0.033 0.000 2.372 1458 D HA 0.178 4.817 4.640 -0.001 0.000 0.243 1458 D C 0.471 176.798 176.300 0.045 0.000 1.121 1458 D CA 0.166 54.198 54.000 0.053 0.000 0.898 1458 D CB 0.818 41.674 40.800 0.093 0.000 1.202 1458 D HN 0.175 nan 8.370 nan 0.000 0.428 1459 G N 1.574 110.383 108.800 0.015 0.000 2.305 1459 G HA2 0.213 4.173 3.960 -0.001 0.000 0.243 1459 G HA3 0.213 4.173 3.960 -0.001 0.000 0.243 1459 G C -2.189 172.703 174.900 -0.013 0.000 1.288 1459 G CA -0.802 44.274 45.100 -0.041 0.000 0.901 1459 G HN 0.259 nan 8.290 nan 0.000 0.516 1460 P HA 0.007 nan 4.420 nan 0.000 0.258 1460 P C -0.430 176.874 177.300 0.007 0.000 1.187 1460 P CA 0.215 63.337 63.100 0.036 0.000 0.767 1460 P CB 0.152 31.859 31.700 0.012 0.000 0.770 1461 F N 3.025 122.964 119.950 -0.019 0.000 2.434 1461 F HA 0.053 4.579 4.527 -0.001 0.000 0.358 1461 F C 0.968 176.770 175.800 0.004 0.000 1.136 1461 F CA 0.083 58.073 58.000 -0.017 0.000 1.157 1461 F CB 0.121 39.070 39.000 -0.084 0.000 1.167 1461 F HN 0.214 nan 8.300 nan 0.000 0.539 1462 D N 4.142 124.607 120.400 0.108 0.000 2.359 1462 D HA -0.091 4.549 4.640 -0.001 0.000 0.273 1462 D C 1.415 177.821 176.300 0.177 0.000 1.362 1462 D CA 0.461 54.526 54.000 0.109 0.000 1.010 1462 D CB 0.358 41.197 40.800 0.065 0.000 1.090 1462 D HN 0.675 nan 8.370 nan 0.000 0.521 1463 E N 1.366 121.652 120.200 0.143 0.000 2.118 1463 E HA -0.191 4.158 4.350 -0.001 0.000 0.195 1463 E C 1.091 177.780 176.600 0.148 0.000 0.992 1463 E CA 1.191 57.674 56.400 0.137 0.000 0.804 1463 E CB 0.379 30.124 29.700 0.075 0.000 0.741 1463 E HN 0.315 nan 8.360 nan 0.000 0.458 1464 T N 0.508 115.128 114.554 0.109 0.000 2.708 1464 T HA -0.131 4.219 4.350 -0.001 0.000 0.266 1464 T C 1.813 176.577 174.700 0.106 0.000 1.037 1464 T CA 1.240 63.396 62.100 0.093 0.000 1.146 1464 T CB -0.315 68.591 68.868 0.064 0.000 0.865 1464 T HN 0.334 nan 8.240 nan 0.000 0.435 1465 A N 0.785 123.672 122.820 0.112 0.000 1.835 1465 A HA -0.108 4.211 4.320 -0.001 0.000 0.215 1465 A C 2.110 179.780 177.584 0.145 0.000 1.199 1465 A CA 1.714 53.813 52.037 0.104 0.000 0.615 1465 A CB -1.343 17.707 19.000 0.085 0.000 0.838 1465 A HN 0.579 nan 8.150 nan 0.000 0.444 1466 Y N -0.011 120.346 120.300 0.094 0.000 2.207 1466 Y HA -0.149 4.401 4.550 -0.001 0.000 0.287 1466 Y C 2.025 177.975 175.900 0.084 0.000 1.156 1466 Y CA 1.845 60.018 58.100 0.121 0.000 1.182 1466 Y CB -0.098 38.497 38.460 0.225 0.000 0.979 1466 Y HN 0.226 nan 8.280 nan 0.000 0.521 1467 L N -0.137 121.275 121.223 0.314 0.000 2.313 1467 L HA -0.102 4.237 4.340 -0.001 0.000 0.214 1467 L C 2.627 179.567 176.870 0.117 0.000 1.119 1467 L CA 0.848 55.819 54.840 0.218 0.000 0.809 1467 L CB -0.363 41.809 42.059 0.188 0.000 0.933 1467 L HN 0.230 nan 8.230 nan 0.000 0.449 1468 R N 0.710 121.265 120.500 0.093 0.000 2.082 1468 R HA -0.195 4.144 4.340 -0.001 0.000 0.228 1468 R C 1.932 178.254 176.300 0.036 0.000 1.140 1468 R CA 1.820 57.959 56.100 0.066 0.000 0.920 1468 R CB -0.300 30.034 30.300 0.056 0.000 0.828 1468 R HN 0.282 nan 8.270 nan 0.000 0.430 1469 E N -0.294 119.905 120.200 -0.002 0.000 2.130 1469 E HA -0.218 4.132 4.350 -0.001 0.000 0.196 1469 E C 2.208 178.786 176.600 -0.036 0.000 0.998 1469 E CA 1.058 57.441 56.400 -0.028 0.000 0.806 1469 E CB 0.005 29.658 29.700 -0.077 0.000 0.738 1469 E HN 0.250 nan 8.360 nan 0.000 0.459 1470 R N -0.084 120.358 120.500 -0.098 0.000 2.090 1470 R HA -0.054 4.285 4.340 -0.001 0.000 0.228 1470 R C 2.595 178.879 176.300 -0.027 0.000 1.110 1470 R CA 1.664 57.692 56.100 -0.119 0.000 0.973 1470 R CB -1.045 29.163 30.300 -0.154 0.000 0.869 1470 R HN 0.380 nan 8.270 nan 0.000 0.440 1471 T N -1.374 113.200 114.554 0.035 0.000 2.770 1471 T HA -0.050 4.299 4.350 -0.001 0.000 0.263 1471 T C 1.662 176.409 174.700 0.078 0.000 1.039 1471 T CA 0.917 63.058 62.100 0.068 0.000 1.142 1471 T CB -0.197 68.791 68.868 0.200 0.000 0.868 1471 T HN 0.251 nan 8.240 nan 0.000 0.435 1472 E N 0.559 120.812 120.200 0.088 0.000 2.097 1472 E HA -0.272 4.077 4.350 -0.001 0.000 0.196 1472 E C 2.264 178.916 176.600 0.086 0.000 1.000 1472 E CA 1.493 57.941 56.400 0.081 0.000 0.804 1472 E CB -0.373 29.364 29.700 0.060 0.000 0.740 1472 E HN 0.617 nan 8.360 nan 0.000 0.454 1473 H N 1.261 120.322 119.070 -0.016 0.000 2.353 1473 H HA -0.082 4.473 4.556 -0.001 0.000 0.300 1473 H C 1.984 177.315 175.328 0.005 0.000 1.090 1473 H CA 1.437 57.476 56.048 -0.014 0.000 1.327 1473 H CB -0.163 29.578 29.762 -0.034 0.000 1.383 1473 H HN 0.162 nan 8.280 nan 0.000 0.508 1474 I N 0.779 121.516 120.570 0.278 0.000 2.361 1474 I HA -0.214 3.956 4.170 -0.001 0.000 0.251 1474 I C 2.531 178.723 176.117 0.125 0.000 1.133 1474 I CA 0.937 62.336 61.300 0.165 0.000 1.413 1474 I CB -0.198 37.635 38.000 -0.277 0.000 1.073 1474 I HN 0.221 nan 8.210 nan 0.000 0.424 1475 E N 1.194 121.441 120.200 0.078 0.000 2.001 1475 E HA -0.189 4.160 4.350 -0.001 0.000 0.195 1475 E C 2.240 178.868 176.600 0.046 0.000 1.002 1475 E CA 1.254 57.709 56.400 0.091 0.000 0.819 1475 E CB -0.374 29.383 29.700 0.094 0.000 0.769 1475 E HN 0.426 nan 8.360 nan 0.000 0.454 1476 R N 0.568 121.063 120.500 -0.008 0.000 2.143 1476 R HA -0.229 4.110 4.340 -0.001 0.000 0.239 1476 R C 2.399 178.640 176.300 -0.098 0.000 1.126 1476 R CA 1.939 57.999 56.100 -0.068 0.000 0.927 1476 R CB -0.469 29.753 30.300 -0.130 0.000 0.860 1476 R HN 0.104 nan 8.270 nan 0.000 0.433 1477 E N 0.423 120.528 120.200 -0.159 0.000 2.171 1477 E HA -0.204 4.146 4.350 -0.001 0.000 0.197 1477 E C 1.693 178.215 176.600 -0.130 0.000 0.997 1477 E CA 1.702 58.008 56.400 -0.156 0.000 0.810 1477 E CB -0.163 29.494 29.700 -0.071 0.000 0.738 1477 E HN 0.412 nan 8.360 nan 0.000 0.467 1478 A N 0.462 123.282 122.820 0.000 0.000 1.841 1478 A HA -0.139 4.181 4.320 -0.001 0.000 0.214 1478 A C 2.249 179.807 177.584 -0.043 0.000 1.195 1478 A CA 1.615 53.651 52.037 -0.000 0.000 0.611 1478 A CB -0.536 18.571 19.000 0.179 0.000 0.835 1478 A HN 0.212 nan 8.150 nan 0.000 0.443 1479 R N -0.954 119.539 120.500 -0.012 0.000 2.113 1479 R HA -0.183 4.157 4.340 -0.001 0.000 0.244 1479 R C 2.577 178.847 176.300 -0.049 0.000 1.142 1479 R CA 1.897 57.986 56.100 -0.017 0.000 0.953 1479 R CB -0.346 29.951 30.300 -0.006 0.000 0.860 1479 R HN 0.532 nan 8.270 nan 0.000 0.438 1480 R N 0.438 120.892 120.500 -0.077 0.000 2.097 1480 R HA -0.242 4.097 4.340 -0.001 0.000 0.236 1480 R C 2.306 178.539 176.300 -0.111 0.000 1.135 1480 R CA 2.052 58.096 56.100 -0.094 0.000 0.934 1480 R CB -0.205 30.023 30.300 -0.120 0.000 0.846 1480 R HN 0.109 nan 8.270 nan 0.000 0.431 1481 Q N 0.511 120.216 119.800 -0.158 0.000 2.181 1481 Q HA -0.172 4.167 4.340 -0.001 0.000 0.205 1481 Q C 1.701 177.629 176.000 -0.121 0.000 0.980 1481 Q CA 1.659 57.349 55.803 -0.189 0.000 0.862 1481 Q CB -0.009 28.535 28.738 -0.324 0.000 0.905 1481 Q HN 0.346 nan 8.270 nan 0.000 0.429 1482 E N -0.839 119.311 120.200 -0.084 0.000 1.998 1482 E HA -0.210 4.140 4.350 -0.001 0.000 0.196 1482 E C 1.835 178.416 176.600 -0.031 0.000 1.003 1482 E CA 1.048 57.423 56.400 -0.041 0.000 0.829 1482 E CB -0.312 29.377 29.700 -0.019 0.000 0.777 1482 E HN 0.424 nan 8.360 nan 0.000 0.460 1483 A N 1.328 124.129 122.820 -0.031 0.000 1.971 1483 A HA -0.291 4.028 4.320 -0.001 0.000 0.222 1483 A C 1.927 179.488 177.584 -0.037 0.000 1.182 1483 A CA 2.111 54.133 52.037 -0.026 0.000 0.649 1483 A CB -0.668 18.315 19.000 -0.028 0.000 0.818 1483 A HN 0.322 nan 8.150 nan 0.000 0.458 1484 E N -0.837 119.327 120.200 -0.059 0.000 2.106 1484 E HA -0.032 4.317 4.350 -0.001 0.000 0.192 1484 E C 2.264 178.821 176.600 -0.071 0.000 0.984 1484 E CA 0.813 57.167 56.400 -0.076 0.000 0.806 1484 E CB -0.222 29.419 29.700 -0.099 0.000 0.750 1484 E HN 0.655 nan 8.360 nan 0.000 0.458 1485 A N 0.814 123.611 122.820 -0.039 0.000 2.014 1485 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 1485 A C 2.013 179.654 177.584 0.094 0.000 1.163 1485 A CA 0.948 53.000 52.037 0.025 0.000 0.652 1485 A CB -0.248 18.796 19.000 0.072 0.000 0.808 1485 A HN 0.158 nan 8.150 nan 0.000 0.449 1486 Q N -0.844 118.984 119.800 0.048 0.000 2.167 1486 Q HA -0.125 4.215 4.340 -0.001 0.000 0.202 1486 Q C 1.910 177.932 176.000 0.036 0.000 0.970 1486 Q CA 1.756 57.591 55.803 0.053 0.000 0.855 1486 Q CB -0.131 28.617 28.738 0.017 0.000 0.911 1486 Q HN 0.599 nan 8.270 nan 0.000 0.438 1487 T N -0.068 114.479 114.554 -0.012 0.000 2.732 1487 T HA -0.105 4.244 4.350 -0.001 0.000 0.261 1487 T C 1.709 176.369 174.700 -0.066 0.000 1.040 1487 T CA 1.471 63.545 62.100 -0.044 0.000 1.145 1487 T CB -0.159 68.661 68.868 -0.080 0.000 0.866 1487 T HN 0.471 nan 8.240 nan 0.000 0.427 1488 S N -0.160 115.451 115.700 -0.149 0.000 2.603 1488 S HA 0.155 4.624 4.470 -0.001 0.000 0.229 1488 S C 1.113 175.461 174.600 -0.421 0.000 0.972 1488 S CA 0.329 58.343 58.200 -0.310 0.000 0.935 1488 S CB -0.524 62.403 63.200 -0.456 0.000 0.769 1488 S HN 0.532 nan 8.310 nan 0.000 0.536 1489 F N -0.137 119.844 119.950 0.051 0.000 2.871 1489 F HA 0.424 4.950 4.527 -0.001 0.000 0.344 1489 F C 1.962 177.748 175.800 -0.023 0.000 1.078 1489 F CA -0.233 57.768 58.000 0.003 0.000 1.149 1489 F CB 0.999 39.956 39.000 -0.071 0.000 1.087 1489 F HN 0.383 nan 8.300 nan 0.000 0.557 1490 G N -0.750 108.188 108.800 0.230 0.000 2.597 1490 G HA2 0.049 4.008 3.960 -0.001 0.000 0.196 1490 G HA3 0.049 4.008 3.960 -0.001 0.000 0.196 1490 G C 1.002 176.038 174.900 0.227 0.000 1.176 1490 G CA 0.117 45.308 45.100 0.150 0.000 0.747 1490 G HN 0.075 nan 8.290 nan 0.000 0.821 1491 N N 0.567 119.371 118.700 0.174 0.000 2.517 1491 N HA 0.038 4.777 4.740 -0.001 0.000 0.202 1491 N C 0.669 176.166 175.510 -0.021 0.000 1.042 1491 N CA 0.482 53.588 53.050 0.094 0.000 0.952 1491 N CB 0.529 39.021 38.487 0.010 0.000 1.211 1491 N HN 0.169 nan 8.380 nan 0.000 0.458 1492 E N 1.025 121.113 120.200 -0.187 0.000 2.585 1492 E HA 0.067 4.417 4.350 -0.001 0.000 0.206 1492 E C 0.116 176.387 176.600 -0.549 0.000 1.007 1492 E CA -0.266 55.786 56.400 -0.581 0.000 1.028 1492 E CB -0.077 29.367 29.700 -0.425 0.000 1.087 1492 E HN 0.395 nan 8.360 nan 0.000 0.455 1493 F N -0.491 119.309 119.950 -0.250 0.000 2.771 1493 F HA 0.011 4.537 4.527 -0.001 0.000 0.299 1493 F C 1.180 176.994 175.800 0.024 0.000 1.177 1493 F CA -0.186 57.759 58.000 -0.092 0.000 1.450 1493 F CB -0.348 38.697 39.000 0.075 0.000 1.114 1493 F HN 0.140 nan 8.300 nan 0.000 0.587 1494 W N 1.109 122.113 121.300 -0.494 0.000 2.862 1494 W HA 0.383 5.043 4.660 -0.001 0.000 0.376 1494 W C 0.276 176.689 176.519 -0.177 0.000 1.028 1494 W CA -0.803 56.336 57.345 -0.343 0.000 1.757 1494 W CB -1.032 28.117 29.460 -0.517 0.000 1.128 1494 W HN -0.021 nan 8.180 nan 0.000 0.566 1495 R N 3.355 123.585 120.500 -0.450 0.000 2.473 1495 R HA -0.016 4.324 4.340 -0.001 0.000 0.315 1495 R C 0.961 177.197 176.300 -0.107 0.000 0.972 1495 R CA 0.447 56.343 56.100 -0.341 0.000 1.047 1495 R CB 0.080 30.152 30.300 -0.379 0.000 0.932 1495 R HN 0.196 nan 8.270 nan 0.000 0.411 1496 R N 1.837 122.325 120.500 -0.020 0.000 3.758 1496 R HA -0.194 4.146 4.340 -0.001 0.000 0.299 1496 R C -0.827 175.494 176.300 0.035 0.000 1.182 1496 R CA 1.227 57.334 56.100 0.011 0.000 0.809 1496 R CB -1.115 29.173 30.300 -0.020 0.000 1.249 1496 R HN 0.731 nan 8.270 nan 0.000 0.497 1497 D N 0.343 120.786 120.400 0.072 0.000 2.352 1497 D HA 0.068 4.708 4.640 -0.001 0.000 0.245 1497 D C 0.975 177.325 176.300 0.082 0.000 1.224 1497 D CA 0.365 54.416 54.000 0.086 0.000 0.879 1497 D CB 1.174 42.053 40.800 0.131 0.000 1.057 1497 D HN 0.116 nan 8.370 nan 0.000 0.491 1498 S N 3.834 119.570 115.700 0.061 0.000 2.465 1498 S HA -0.138 4.332 4.470 -0.001 0.000 0.241 1498 S C 1.196 175.830 174.600 0.057 0.000 1.000 1498 S CA 0.974 59.206 58.200 0.053 0.000 0.964 1498 S CB 0.069 63.294 63.200 0.041 0.000 0.763 1498 S HN 0.525 nan 8.310 nan 0.000 0.512 1499 R N -0.038 120.501 120.500 0.065 0.000 2.509 1499 R HA 0.460 4.799 4.340 -0.001 0.000 0.300 1499 R C -0.588 175.750 176.300 0.064 0.000 0.985 1499 R CA 0.008 56.143 56.100 0.059 0.000 1.092 1499 R CB 0.466 30.802 30.300 0.059 0.000 1.237 1499 R HN 0.364 nan 8.270 nan 0.000 0.546 1500 I N 1.214 121.827 120.570 0.072 0.000 2.529 1500 I HA 0.287 4.457 4.170 -0.001 0.000 0.284 1500 I C -0.397 175.733 176.117 0.021 0.000 1.088 1500 I CA -0.944 60.391 61.300 0.058 0.000 1.062 1500 I CB 1.942 40.011 38.000 0.116 0.000 1.218 1500 I HN 0.017 nan 8.210 nan 0.000 0.442 1501 A N 7.786 130.589 122.820 -0.028 0.000 2.462 1501 A HA 0.375 4.695 4.320 -0.001 0.000 0.243 1501 A C -1.783 175.683 177.584 -0.197 0.000 1.076 1501 A CA -0.878 51.123 52.037 -0.061 0.000 0.773 1501 A CB -0.042 18.928 19.000 -0.050 0.000 1.010 1501 A HN 0.530 nan 8.150 nan 0.000 0.493 1502 P HA -0.156 nan 4.420 nan 0.000 0.218 1502 P C 1.484 178.383 177.300 -0.669 0.000 1.148 1502 P CA 0.884 63.678 63.100 -0.509 0.000 0.822 1502 P CB 0.065 31.668 31.700 -0.161 0.000 0.784 1503 L N -1.281 119.726 121.223 -0.361 0.000 1.989 1503 L HA -0.216 4.124 4.340 -0.001 0.000 0.211 1503 L C 2.783 179.454 176.870 -0.331 0.000 1.071 1503 L CA 1.613 56.270 54.840 -0.305 0.000 0.749 1503 L CB -0.498 41.450 42.059 -0.185 0.000 0.890 1503 L HN -0.117 nan 8.230 nan 0.000 0.431 1504 R N -0.046 120.287 120.500 -0.277 0.000 2.097 1504 R HA -0.172 4.168 4.340 -0.001 0.000 0.236 1504 R C 2.081 178.163 176.300 -0.364 0.000 1.135 1504 R CA 1.622 57.587 56.100 -0.225 0.000 0.934 1504 R CB -1.453 28.764 30.300 -0.138 0.000 0.846 1504 R HN 0.510 nan 8.270 nan 0.000 0.431 1505 G N 0.496 108.881 108.800 -0.693 0.000 2.721 1505 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.218 1505 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.218 1505 G C 1.519 175.735 174.900 -1.139 0.000 1.265 1505 G CA 1.901 46.176 45.100 -1.374 0.000 0.796 1505 G HN 0.512 nan 8.290 nan 0.000 0.620 1506 A N -0.188 121.896 122.820 -1.227 0.000 2.024 1506 A HA 0.115 4.435 4.320 -0.001 0.000 0.220 1506 A C 2.487 180.065 177.584 -0.009 0.000 1.164 1506 A CA 1.472 53.312 52.037 -0.329 0.000 0.643 1506 A CB -0.296 18.581 19.000 -0.206 0.000 0.806 1506 A HN 0.402 nan 8.150 nan 0.000 0.451 1507 L N -1.357 119.788 121.223 -0.131 0.000 2.095 1507 L HA -0.085 4.254 4.340 -0.001 0.000 0.204 1507 L C 3.073 180.010 176.870 0.112 0.000 1.080 1507 L CA 0.886 55.724 54.840 -0.003 0.000 0.759 1507 L CB -0.452 41.558 42.059 -0.081 0.000 0.914 1507 L HN 0.419 nan 8.230 nan 0.000 0.439 1508 A N 0.068 122.936 122.820 0.080 0.000 1.933 1508 A HA -0.225 4.095 4.320 -0.001 0.000 0.218 1508 A C 2.354 180.100 177.584 0.270 0.000 1.175 1508 A CA 2.067 54.219 52.037 0.191 0.000 0.628 1508 A CB -1.013 18.140 19.000 0.255 0.000 0.814 1508 A HN 0.519 nan 8.150 nan 0.000 0.444 1509 T N -4.727 110.010 114.554 0.305 0.000 2.946 1509 T HA -0.201 4.149 4.350 -0.001 0.000 0.271 1509 T C 1.083 175.647 174.700 -0.226 0.000 1.104 1509 T CA 1.418 63.632 62.100 0.190 0.000 1.114 1509 T CB -0.513 68.448 68.868 0.153 0.000 0.867 1509 T HN 0.648 nan 8.240 nan 0.000 0.513 1510 W N 0.654 122.058 121.300 0.173 0.000 2.870 1510 W HA 0.578 5.238 4.660 -0.000 0.000 0.358 1510 W C 1.317 177.975 176.519 0.232 0.000 1.043 1510 W CA -0.315 57.142 57.345 0.186 0.000 1.692 1510 W CB 0.350 29.876 29.460 0.110 0.000 1.100 1510 W HN 0.389 nan 8.180 nan 0.000 0.557 1511 G N 1.671 110.653 108.800 0.304 0.000 2.325 1511 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.248 1511 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.248 1511 G C -0.824 174.216 174.900 0.234 0.000 1.108 1511 G CA -0.498 44.744 45.100 0.237 0.000 0.881 1511 G HN 0.155 nan 8.290 nan 0.000 0.494 1512 L N -0.087 121.244 121.223 0.180 0.000 2.434 1512 L HA 0.817 5.156 4.340 -0.001 0.000 0.260 1512 L C 0.683 177.600 176.870 0.079 0.000 0.983 1512 L CA -0.645 54.270 54.840 0.125 0.000 0.820 1512 L CB 2.430 44.526 42.059 0.063 0.000 1.361 1512 L HN 0.375 nan 8.230 nan 0.000 0.410 1513 T N -2.755 111.840 114.554 0.069 0.000 2.889 1513 T HA 0.510 4.860 4.350 -0.001 0.000 0.278 1513 T C 1.192 175.906 174.700 0.023 0.000 0.995 1513 T CA -0.753 61.373 62.100 0.043 0.000 0.966 1513 T CB 0.993 69.897 68.868 0.059 0.000 1.237 1513 T HN 0.446 nan 8.240 nan 0.000 0.591 1514 I N -0.185 120.390 120.570 0.008 0.000 2.530 1514 I HA -0.086 4.084 4.170 -0.001 0.000 0.257 1514 I C 1.528 177.658 176.117 0.021 0.000 1.179 1514 I CA 1.056 62.354 61.300 -0.004 0.000 1.440 1514 I CB -0.724 37.268 38.000 -0.014 0.000 1.087 1514 I HN 0.455 nan 8.210 nan 0.000 0.440 1515 D N 1.066 121.496 120.400 0.050 0.000 2.348 1515 D HA -0.110 4.530 4.640 -0.001 0.000 0.216 1515 D C 1.446 177.797 176.300 0.085 0.000 0.970 1515 D CA 0.898 54.939 54.000 0.068 0.000 0.889 1515 D CB -0.177 40.706 40.800 0.138 0.000 0.912 1515 D HN 0.471 nan 8.370 nan 0.000 0.524 1516 D N -0.156 120.288 120.400 0.073 0.000 2.350 1516 D HA -0.029 4.610 4.640 -0.001 0.000 0.213 1516 D C 0.620 176.953 176.300 0.054 0.000 1.031 1516 D CA -0.204 53.844 54.000 0.079 0.000 0.861 1516 D CB 0.634 41.475 40.800 0.068 0.000 0.926 1516 D HN 0.103 nan 8.370 nan 0.000 0.520 1517 L N 1.991 123.234 121.223 0.032 0.000 2.536 1517 L HA 0.195 4.534 4.340 -0.001 0.000 0.282 1517 L C 1.396 178.311 176.870 0.076 0.000 1.147 1517 L CA 0.098 54.956 54.840 0.029 0.000 0.936 1517 L CB 0.463 42.523 42.059 0.002 0.000 1.279 1517 L HN -0.107 nan 8.230 nan 0.000 0.461 1518 G N 3.773 112.639 108.800 0.110 0.000 2.439 1518 G HA2 0.040 4.000 3.960 -0.001 0.000 0.212 1518 G HA3 0.040 4.000 3.960 -0.001 0.000 0.212 1518 G C 0.267 175.249 174.900 0.137 0.000 1.199 1518 G CA 0.059 45.242 45.100 0.139 0.000 0.807 1518 G HN 0.348 nan 8.290 nan 0.000 0.537 1519 V N 1.135 121.139 119.914 0.150 0.000 2.435 1519 V HA 0.692 4.812 4.120 -0.001 0.000 0.290 1519 V C -0.227 175.966 176.094 0.165 0.000 1.030 1519 V CA -0.685 61.697 62.300 0.137 0.000 0.881 1519 V CB 1.344 33.234 31.823 0.111 0.000 0.983 1519 V HN 0.468 nan 8.190 nan 0.000 0.445 1520 A N 3.761 126.680 122.820 0.164 0.000 2.273 1520 A HA 0.667 4.987 4.320 -0.001 0.000 0.315 1520 A C 0.006 177.717 177.584 0.212 0.000 1.256 1520 A CA -0.324 51.823 52.037 0.183 0.000 0.851 1520 A CB 1.174 20.331 19.000 0.262 0.000 1.172 1520 A HN 0.688 nan 8.150 nan 0.000 0.508 1521 S N 2.269 118.038 115.700 0.115 0.000 2.465 1521 S HA 0.609 5.079 4.470 -0.001 0.000 0.279 1521 S C -0.854 173.793 174.600 0.079 0.000 1.201 1521 S CA -0.192 58.060 58.200 0.087 0.000 1.053 1521 S CB -0.437 62.782 63.200 0.031 0.000 0.953 1521 S HN 0.377 nan 8.310 nan 0.000 0.488 1522 F N 3.891 123.754 119.950 -0.144 0.000 2.404 1522 F HA 0.352 4.879 4.527 -0.001 0.000 0.339 1522 F C 1.429 177.334 175.800 0.176 0.000 1.105 1522 F CA -0.727 57.284 58.000 0.018 0.000 1.087 1522 F CB 0.944 39.897 39.000 -0.079 0.000 1.143 1522 F HN 0.751 nan 8.300 nan 0.000 0.491 1523 H N 3.259 122.474 119.070 0.242 0.000 2.255 1523 H HA -0.118 4.437 4.556 -0.001 0.000 0.290 1523 H C 1.464 176.946 175.328 0.257 0.000 1.087 1523 H CA 1.522 57.685 56.048 0.192 0.000 1.213 1523 H CB -0.628 29.276 29.762 0.237 0.000 1.349 1523 H HN 0.781 nan 8.280 nan 0.000 0.487 1524 G N -0.047 108.984 108.800 0.385 0.000 2.220 1524 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.248 1524 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.248 1524 G C 0.712 175.647 174.900 0.058 0.000 0.791 1524 G CA 0.878 46.187 45.100 0.347 0.000 1.197 1524 G HN 0.839 nan 8.290 nan 0.000 0.336 1525 T N -1.111 113.405 114.554 -0.062 0.000 3.188 1525 T HA 0.453 4.803 4.350 -0.001 0.000 0.250 1525 T C 1.469 176.207 174.700 0.063 0.000 1.077 1525 T CA 0.986 63.032 62.100 -0.091 0.000 0.967 1525 T CB 0.450 69.234 68.868 -0.141 0.000 1.006 1525 T HN 2.017 nan 8.240 nan 0.000 0.552 1526 S N 0.735 116.448 115.700 0.021 0.000 3.261 1526 S HA -0.221 4.248 4.470 -0.001 0.000 0.287 1526 S C 0.611 175.229 174.600 0.030 0.000 1.281 1526 S CA 1.240 59.446 58.200 0.010 0.000 1.053 1526 S CB -2.196 61.033 63.200 0.048 0.000 1.251 1526 S HN 1.205 nan 8.310 nan 0.000 0.659 1527 T N -1.628 112.961 114.554 0.057 0.000 2.824 1527 T HA 0.670 5.020 4.350 -0.001 0.000 0.277 1527 T C 1.534 176.235 174.700 0.002 0.000 0.975 1527 T CA -0.159 61.976 62.100 0.059 0.000 0.966 1527 T CB 1.254 70.189 68.868 0.112 0.000 1.054 1527 T HN 0.352 nan 8.240 nan 0.000 0.533 1528 V N 1.339 121.252 119.914 -0.002 0.000 2.255 1528 V HA 0.075 4.195 4.120 -0.001 0.000 0.243 1528 V C 3.171 179.247 176.094 -0.031 0.000 1.038 1528 V CA 1.810 64.095 62.300 -0.025 0.000 1.008 1528 V CB -1.742 30.069 31.823 -0.019 0.000 0.645 1528 V HN 1.037 nan 8.190 nan 0.000 0.449 1529 A N 0.555 123.362 122.820 -0.022 0.000 1.930 1529 A HA -0.174 4.145 4.320 -0.001 0.000 0.215 1529 A C 2.078 179.632 177.584 -0.050 0.000 1.176 1529 A CA 1.728 53.746 52.037 -0.032 0.000 0.632 1529 A CB -0.918 18.062 19.000 -0.033 0.000 0.819 1529 A HN 0.643 nan 8.150 nan 0.000 0.445 1530 N N 0.293 118.964 118.700 -0.049 0.000 2.149 1530 N HA -0.194 4.546 4.740 -0.001 0.000 0.188 1530 N C 1.062 176.552 175.510 -0.033 0.000 1.019 1530 N CA 1.991 54.996 53.050 -0.075 0.000 0.857 1530 N CB -0.142 38.344 38.487 -0.001 0.000 0.997 1530 N HN 0.438 nan 8.380 nan 0.000 0.426 1531 D N -0.192 120.204 120.400 -0.006 0.000 2.162 1531 D HA -0.116 4.523 4.640 -0.001 0.000 0.203 1531 D C 1.577 177.873 176.300 -0.006 0.000 0.967 1531 D CA 0.660 54.672 54.000 0.021 0.000 0.840 1531 D CB -0.214 40.526 40.800 -0.101 0.000 0.972 1531 D HN 0.446 nan 8.370 nan 0.000 0.482 1532 K N 0.833 121.205 120.400 -0.046 0.000 2.148 1532 K HA -0.145 4.175 4.320 -0.001 0.000 0.204 1532 K C 1.729 178.398 176.600 0.115 0.000 1.050 1532 K CA 0.951 57.222 56.287 -0.027 0.000 0.942 1532 K CB 0.154 32.649 32.500 -0.009 0.000 0.724 1532 K HN -0.099 nan 8.250 nan 0.000 0.446 1533 N N 0.721 119.451 118.700 0.051 0.000 2.220 1533 N HA -0.094 4.645 4.740 -0.001 0.000 0.182 1533 N C 1.509 177.055 175.510 0.061 0.000 1.023 1533 N CA 1.005 54.073 53.050 0.029 0.000 0.856 1533 N CB 0.144 38.554 38.487 -0.128 0.000 0.997 1533 N HN 0.178 nan 8.380 nan 0.000 0.429 1534 E N 0.011 120.222 120.200 0.017 0.000 2.049 1534 E HA -0.196 4.154 4.350 -0.001 0.000 0.198 1534 E C 1.835 178.716 176.600 0.468 0.000 1.007 1534 E CA 1.529 58.042 56.400 0.188 0.000 0.809 1534 E CB -0.173 29.752 29.700 0.376 0.000 0.749 1534 E HN 0.349 nan 8.360 nan 0.000 0.450 1535 S N 0.852 116.957 115.700 0.675 0.000 2.365 1535 S HA -0.219 4.251 4.470 -0.001 0.000 0.225 1535 S C 1.633 176.693 174.600 0.767 0.000 1.039 1535 S CA 1.464 60.153 58.200 0.814 0.000 1.033 1535 S CB -0.439 62.962 63.200 0.336 0.000 0.887 1535 S HN 0.324 nan 8.310 nan 0.000 0.447 1536 D N 1.188 122.045 120.400 0.761 0.000 2.103 1536 D HA -0.118 4.522 4.640 -0.001 0.000 0.190 1536 D C 1.984 178.383 176.300 0.164 0.000 0.997 1536 D CA 1.339 55.567 54.000 0.380 0.000 0.833 1536 D CB -0.507 40.455 40.800 0.270 0.000 0.961 1536 D HN 0.210 nan 8.370 nan 0.000 0.447 1537 V N 1.251 121.269 119.914 0.175 0.000 2.231 1537 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 1537 V C 2.813 178.954 176.094 0.078 0.000 1.054 1537 V CA 1.592 63.961 62.300 0.116 0.000 1.015 1537 V CB -0.462 31.475 31.823 0.190 0.000 0.638 1537 V HN 0.299 nan 8.190 nan 0.000 0.444 1538 I N -0.992 119.644 120.570 0.111 0.000 2.335 1538 I HA -0.325 3.844 4.170 -0.001 0.000 0.251 1538 I C 2.562 178.717 176.117 0.063 0.000 1.129 1538 I CA 1.490 62.825 61.300 0.060 0.000 1.402 1538 I CB -0.207 37.816 38.000 0.038 0.000 1.069 1538 I HN 0.491 nan 8.210 nan 0.000 0.424 1539 C N 0.462 119.827 119.300 0.109 0.000 2.548 1539 C HA -0.190 4.270 4.460 -0.001 0.000 0.284 1539 C C 2.808 177.684 174.990 -0.189 0.000 1.252 1539 C CA 1.054 60.062 59.018 -0.016 0.000 1.725 1539 C CB -0.989 26.742 27.740 -0.015 0.000 2.098 1539 C HN 0.482 nan 8.230 nan 0.000 0.471 1540 Q N -0.162 119.549 119.800 -0.147 0.000 2.142 1540 Q HA -0.336 4.004 4.340 -0.001 0.000 0.213 1540 Q C 2.206 178.134 176.000 -0.120 0.000 1.004 1540 Q CA 2.268 57.984 55.803 -0.145 0.000 0.883 1540 Q CB -0.422 28.256 28.738 -0.100 0.000 0.939 1540 Q HN 0.748 nan 8.270 nan 0.000 0.413 1541 Q N 0.270 120.018 119.800 -0.088 0.000 1.985 1541 Q HA -0.196 4.143 4.340 -0.001 0.000 0.207 1541 Q C 2.325 178.264 176.000 -0.102 0.000 0.996 1541 Q CA 1.479 57.243 55.803 -0.065 0.000 0.851 1541 Q CB -0.336 28.367 28.738 -0.058 0.000 0.921 1541 Q HN 0.410 nan 8.270 nan 0.000 0.418 1542 L N 0.791 121.918 121.223 -0.160 0.000 2.043 1542 L HA -0.280 4.060 4.340 -0.001 0.000 0.212 1542 L C 2.684 179.354 176.870 -0.334 0.000 1.075 1542 L CA 1.641 56.356 54.840 -0.208 0.000 0.752 1542 L CB -0.625 41.315 42.059 -0.200 0.000 0.891 1542 L HN 0.315 nan 8.230 nan 0.000 0.432 1543 K N 0.097 120.163 120.400 -0.557 0.000 1.985 1543 K HA -0.290 4.029 4.320 -0.001 0.000 0.210 1543 K C 2.084 178.592 176.600 -0.153 0.000 1.047 1543 K CA 2.053 58.056 56.287 -0.474 0.000 0.932 1543 K CB -0.349 31.881 32.500 -0.450 0.000 0.716 1543 K HN 0.295 nan 8.250 nan 0.000 0.439 1544 H N 0.108 119.073 119.070 -0.174 0.000 2.567 1544 H HA 0.067 4.622 4.556 -0.001 0.000 0.276 1544 H C 1.356 176.637 175.328 -0.079 0.000 1.016 1544 H CA 0.665 56.651 56.048 -0.103 0.000 1.186 1544 H CB 0.085 29.792 29.762 -0.091 0.000 1.351 1544 H HN 0.220 nan 8.280 nan 0.000 0.605 1545 L N -1.595 119.555 121.223 -0.121 0.000 2.513 1545 L HA 0.251 4.590 4.340 -0.001 0.000 0.222 1545 L C 1.512 178.315 176.870 -0.111 0.000 1.096 1545 L CA 0.697 55.460 54.840 -0.129 0.000 0.857 1545 L CB 0.441 42.457 42.059 -0.073 0.000 1.026 1545 L HN 0.596 nan 8.230 nan 0.000 0.469 1546 G N 0.823 109.571 108.800 -0.087 0.000 2.154 1546 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.186 1546 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.186 1546 G C 0.310 175.231 174.900 0.035 0.000 1.000 1546 G CA -0.193 44.888 45.100 -0.033 0.000 0.664 1546 G HN 0.247 nan 8.290 nan 0.000 0.513 1547 R N 1.683 122.211 120.500 0.046 0.000 2.504 1547 R HA 0.246 4.585 4.340 -0.001 0.000 0.302 1547 R C 0.616 177.017 176.300 0.169 0.000 0.893 1547 R CA 1.095 57.265 56.100 0.117 0.000 1.138 1547 R CB -0.308 30.098 30.300 0.177 0.000 0.880 1547 R HN 0.140 nan 8.270 nan 0.000 0.415 1548 T N 6.390 120.996 114.554 0.085 0.000 2.831 1548 T HA -0.048 4.302 4.350 -0.001 0.000 0.291 1548 T C 0.223 174.889 174.700 -0.057 0.000 0.981 1548 T CA 0.164 62.311 62.100 0.078 0.000 1.174 1548 T CB 0.119 69.118 68.868 0.218 0.000 0.929 1548 T HN 0.438 nan 8.240 nan 0.000 0.532 1549 K N 2.277 122.664 120.400 -0.021 0.000 2.447 1549 K HA 0.262 4.582 4.320 -0.001 0.000 0.281 1549 K C 1.333 177.828 176.600 -0.176 0.000 1.031 1549 K CA 0.906 57.085 56.287 -0.180 0.000 1.019 1549 K CB -0.168 32.282 32.500 -0.084 0.000 0.918 1549 K HN 0.860 nan 8.250 nan 0.000 0.476 1550 G N 2.915 111.537 108.800 -0.296 0.000 2.238 1550 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.217 1550 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.217 1550 G C -0.168 174.595 174.900 -0.227 0.000 0.996 1550 G CA -0.026 45.009 45.100 -0.107 0.000 0.632 1550 G HN 0.660 nan 8.290 nan 0.000 0.503 1551 N N 1.638 119.908 118.700 -0.717 0.000 2.521 1551 N HA 0.656 5.396 4.740 -0.001 0.000 0.236 1551 N C 0.331 175.641 175.510 -0.334 0.000 1.067 1551 N CA 0.784 53.212 53.050 -1.036 0.000 0.939 1551 N CB 0.548 37.864 38.487 -1.951 0.000 1.201 1551 N HN 0.793 nan 8.380 nan 0.000 0.511 1552 A N 2.299 125.146 122.820 0.045 0.000 2.264 1552 A HA 0.619 4.939 4.320 -0.001 0.000 0.304 1552 A C -0.260 177.395 177.584 0.118 0.000 1.100 1552 A CA -0.680 51.397 52.037 0.066 0.000 0.839 1552 A CB 0.672 19.650 19.000 -0.036 0.000 1.121 1552 A HN 0.534 nan 8.150 nan 0.000 0.496 1553 V N -0.306 119.656 119.914 0.080 0.000 2.427 1553 V HA 0.499 4.619 4.120 -0.001 0.000 0.286 1553 V C 0.004 176.120 176.094 0.037 0.000 1.034 1553 V CA -0.798 61.557 62.300 0.092 0.000 0.893 1553 V CB 0.806 32.702 31.823 0.120 0.000 0.982 1553 V HN 0.694 nan 8.190 nan 0.000 0.452 1554 L N 4.727 125.987 121.223 0.062 0.000 2.477 1554 L HA 0.372 4.712 4.340 -0.001 0.000 0.272 1554 L C 1.069 177.930 176.870 -0.014 0.000 1.157 1554 L CA 0.559 55.408 54.840 0.015 0.000 0.889 1554 L CB 0.507 42.592 42.059 0.044 0.000 1.158 1554 L HN 1.002 nan 8.230 nan 0.000 0.473 1555 G N 5.408 114.135 108.800 -0.121 0.000 2.319 1555 G HA2 0.478 4.438 3.960 -0.001 0.000 0.308 1555 G HA3 0.478 4.438 3.960 -0.001 0.000 0.308 1555 G C -0.347 174.334 174.900 -0.365 0.000 1.117 1555 G CA -0.502 44.431 45.100 -0.280 0.000 0.903 1555 G HN 0.307 nan 8.290 nan 0.000 0.436 1556 I N 2.098 122.456 120.570 -0.354 0.000 2.392 1556 I HA 0.456 4.625 4.170 -0.001 0.000 0.295 1556 I C -0.748 175.075 176.117 -0.491 0.000 0.985 1556 I CA -1.670 59.488 61.300 -0.236 0.000 1.221 1556 I CB 1.262 39.242 38.000 -0.033 0.000 1.366 1556 I HN 0.345 nan 8.210 nan 0.000 0.467 1557 F N 4.387 124.459 119.950 0.203 0.000 2.686 1557 F HA 0.310 4.837 4.527 -0.001 0.000 0.365 1557 F C 1.282 177.207 175.800 0.208 0.000 1.196 1557 F CA -0.469 57.655 58.000 0.206 0.000 1.198 1557 F CB 0.670 39.770 39.000 0.166 0.000 1.454 1557 F HN 0.488 nan 8.300 nan 0.000 0.539 1558 Q N 1.294 121.227 119.800 0.222 0.000 2.500 1558 Q HA -0.103 4.236 4.340 -0.001 0.000 0.213 1558 Q C 1.605 177.611 176.000 0.011 0.000 0.974 1558 Q CA 0.964 56.805 55.803 0.064 0.000 0.918 1558 Q CB 0.297 29.084 28.738 0.082 0.000 0.980 1558 Q HN 0.338 nan 8.270 nan 0.000 0.505 1559 K N -0.090 120.388 120.400 0.130 0.000 2.288 1559 K HA -0.152 4.167 4.320 -0.001 0.000 0.201 1559 K C 1.742 178.412 176.600 0.117 0.000 1.048 1559 K CA 0.884 57.238 56.287 0.111 0.000 0.956 1559 K CB -0.395 32.157 32.500 0.087 0.000 0.746 1559 K HN 0.502 nan 8.250 nan 0.000 0.461 1560 Y N -0.589 119.787 120.300 0.127 0.000 2.224 1560 Y HA -0.067 4.482 4.550 -0.001 0.000 0.289 1560 Y C 1.883 177.855 175.900 0.120 0.000 1.146 1560 Y CA 0.907 59.062 58.100 0.092 0.000 1.182 1560 Y CB -0.609 37.886 38.460 0.059 0.000 0.983 1560 Y HN -0.077 nan 8.280 nan 0.000 0.524 1561 L N 0.202 121.064 121.223 -0.602 0.000 2.168 1561 L HA -0.026 4.313 4.340 -0.001 0.000 0.203 1561 L C 2.160 179.123 176.870 0.156 0.000 1.078 1561 L CA 1.745 56.375 54.840 -0.350 0.000 0.780 1561 L CB -0.258 41.337 42.059 -0.774 0.000 0.939 1561 L HN 0.564 nan 8.230 nan 0.000 0.451 1562 T N -3.947 110.676 114.554 0.114 0.000 3.001 1562 T HA 0.355 4.704 4.350 -0.001 0.000 0.251 1562 T C 1.015 175.896 174.700 0.302 0.000 1.040 1562 T CA 0.395 62.657 62.100 0.270 0.000 0.985 1562 T CB 0.532 69.576 68.868 0.294 0.000 1.011 1562 T HN 0.484 nan 8.240 nan 0.000 0.509 1563 G N 1.459 110.392 108.800 0.222 0.000 2.645 1563 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.239 1563 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.239 1563 G C -0.707 174.342 174.900 0.249 0.000 1.331 1563 G CA -0.077 45.154 45.100 0.218 0.000 0.890 1563 G HN 0.903 nan 8.290 nan 0.000 0.572 1564 H N 1.578 120.702 119.070 0.089 0.000 2.786 1564 H HA 0.564 5.120 4.556 -0.001 0.000 0.284 1564 H C -2.406 172.865 175.328 -0.095 0.000 1.104 1564 H CA -2.470 53.543 56.048 -0.059 0.000 1.339 1564 H CB 1.232 30.854 29.762 -0.235 0.000 1.427 1564 H HN 0.253 nan 8.280 nan 0.000 0.497 1565 P HA 0.067 nan 4.420 nan 0.000 0.263 1565 P C 0.622 177.947 177.300 0.042 0.000 1.601 1565 P CA -0.087 62.965 63.100 -0.080 0.000 1.161 1565 P CB 0.139 31.449 31.700 -0.651 0.000 1.730 1566 K N 1.838 122.210 120.400 -0.046 0.000 2.413 1566 K HA -0.312 4.007 4.320 -0.001 0.000 0.205 1566 K C 1.905 178.551 176.600 0.077 0.000 0.830 1566 K CA 2.470 58.678 56.287 -0.132 0.000 0.991 1566 K CB -1.515 31.006 32.500 0.035 0.000 1.171 1566 K HN 0.524 nan 8.250 nan 0.000 0.553 1567 G N -1.025 107.783 108.800 0.013 0.000 2.724 1567 G HA2 0.247 4.206 3.960 -0.001 0.000 0.205 1567 G HA3 0.247 4.206 3.960 -0.001 0.000 0.205 1567 G C 0.800 175.635 174.900 -0.107 0.000 1.112 1567 G CA 0.312 45.393 45.100 -0.032 0.000 0.793 1567 G HN 0.408 nan 8.290 nan 0.000 0.526 1568 A N 0.907 123.614 122.820 -0.189 0.000 2.840 1568 A HA 0.743 5.063 4.320 -0.001 0.000 0.269 1568 A C 1.890 179.187 177.584 -0.479 0.000 1.439 1568 A CA 0.857 52.714 52.037 -0.301 0.000 1.083 1568 A CB -0.474 18.335 19.000 -0.319 0.000 1.019 1568 A HN 0.463 nan 8.150 nan 0.000 0.607 1569 A N 0.410 123.070 122.820 -0.268 0.000 1.825 1569 A HA 0.180 4.500 4.320 -0.001 0.000 0.214 1569 A C 2.317 179.829 177.584 -0.120 0.000 1.206 1569 A CA 1.613 53.508 52.037 -0.237 0.000 0.609 1569 A CB -1.373 17.555 19.000 -0.120 0.000 0.851 1569 A HN 0.884 nan 8.150 nan 0.000 0.445 1570 G N -0.474 108.296 108.800 -0.050 0.000 2.475 1570 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.220 1570 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.220 1570 G C 1.681 176.601 174.900 0.034 0.000 1.125 1570 G CA 1.735 46.836 45.100 0.002 0.000 0.755 1570 G HN 0.885 nan 8.290 nan 0.000 0.565 1571 A N 0.090 122.913 122.820 0.005 0.000 1.908 1571 A HA -0.070 4.250 4.320 -0.001 0.000 0.218 1571 A C 2.185 179.915 177.584 0.244 0.000 1.181 1571 A CA 1.690 53.780 52.037 0.088 0.000 0.627 1571 A CB -0.553 18.488 19.000 0.068 0.000 0.818 1571 A HN 0.469 nan 8.150 nan 0.000 0.445 1572 W N -0.482 120.830 121.300 0.020 0.000 2.418 1572 W HA 0.034 4.693 4.660 -0.001 0.000 0.292 1572 W C 2.421 178.938 176.519 -0.004 0.000 1.213 1572 W CA 0.831 58.184 57.345 0.013 0.000 1.283 1572 W CB -1.085 28.389 29.460 0.024 0.000 1.119 1572 W HN 0.300 nan 8.180 nan 0.000 0.542 1573 M N -0.522 119.214 119.600 0.226 0.000 2.159 1573 M HA -0.173 4.307 4.480 -0.001 0.000 0.263 1573 M C 2.148 178.459 176.300 0.019 0.000 1.063 1573 M CA 1.339 56.705 55.300 0.110 0.000 1.110 1573 M CB -0.986 31.671 32.600 0.095 0.000 1.374 1573 M HN -0.120 nan 8.290 nan 0.000 0.411 1574 L N 0.986 122.232 121.223 0.038 0.000 2.083 1574 L HA -0.185 4.155 4.340 -0.001 0.000 0.209 1574 L C 1.863 178.685 176.870 -0.079 0.000 1.083 1574 L CA 1.766 56.605 54.840 -0.003 0.000 0.752 1574 L CB -0.581 41.515 42.059 0.062 0.000 0.899 1574 L HN 0.259 nan 8.230 nan 0.000 0.433 1575 N N -0.280 118.405 118.700 -0.026 0.000 2.188 1575 N HA -0.091 4.648 4.740 -0.001 0.000 0.184 1575 N C 1.810 177.239 175.510 -0.136 0.000 1.018 1575 N CA 1.211 54.213 53.050 -0.080 0.000 0.858 1575 N CB -0.909 37.564 38.487 -0.024 0.000 0.989 1575 N HN 0.436 nan 8.380 nan 0.000 0.426 1576 G N 0.580 109.338 108.800 -0.070 0.000 2.459 1576 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.217 1576 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.217 1576 G C 1.742 176.525 174.900 -0.195 0.000 1.183 1576 G CA 1.201 46.279 45.100 -0.036 0.000 0.776 1576 G HN 0.390 nan 8.290 nan 0.000 0.552 1577 C N 0.597 119.668 119.300 -0.381 0.000 2.436 1577 C HA 0.068 4.528 4.460 -0.001 0.000 0.277 1577 C C 2.863 177.501 174.990 -0.585 0.000 1.241 1577 C CA 0.508 59.090 59.018 -0.726 0.000 1.721 1577 C CB -1.254 25.420 27.740 -1.777 0.000 2.043 1577 C HN 0.413 nan 8.230 nan 0.000 0.472 1578 L N 0.494 121.455 121.223 -0.438 0.000 2.263 1578 L HA -0.259 4.080 4.340 -0.001 0.000 0.216 1578 L C 2.593 179.345 176.870 -0.197 0.000 1.111 1578 L CA 1.566 56.301 54.840 -0.174 0.000 0.773 1578 L CB -0.869 41.157 42.059 -0.056 0.000 0.906 1578 L HN 0.548 nan 8.230 nan 0.000 0.439 1579 Q N -0.780 118.789 119.800 -0.386 0.000 2.123 1579 Q HA -0.082 4.258 4.340 -0.001 0.000 0.196 1579 Q C 2.399 178.011 176.000 -0.647 0.000 0.958 1579 Q CA 0.752 56.138 55.803 -0.696 0.000 0.841 1579 Q CB 0.197 28.170 28.738 -1.275 0.000 0.915 1579 Q HN 0.270 nan 8.270 nan 0.000 0.455 1580 V N 1.018 120.689 119.914 -0.405 0.000 2.343 1580 V HA -0.271 3.849 4.120 -0.001 0.000 0.247 1580 V C 2.166 178.236 176.094 -0.040 0.000 1.051 1580 V CA 1.454 63.699 62.300 -0.092 0.000 1.036 1580 V CB -0.480 31.345 31.823 0.003 0.000 0.654 1580 V HN 0.417 nan 8.190 nan 0.000 0.451 1581 L N 0.256 121.433 121.223 -0.076 0.000 2.043 1581 L HA -0.245 4.095 4.340 -0.001 0.000 0.212 1581 L C 2.136 178.982 176.870 -0.039 0.000 1.075 1581 L CA 1.961 56.794 54.840 -0.012 0.000 0.752 1581 L CB -0.570 41.454 42.059 -0.058 0.000 0.891 1581 L HN 0.480 nan 8.230 nan 0.000 0.432 1582 N N -1.093 117.553 118.700 -0.090 0.000 2.313 1582 N HA -0.048 4.692 4.740 -0.001 0.000 0.207 1582 N C 0.982 176.510 175.510 0.030 0.000 1.141 1582 N CA 0.956 53.978 53.050 -0.046 0.000 0.830 1582 N CB 0.412 38.846 38.487 -0.089 0.000 1.008 1582 N HN 0.445 nan 8.380 nan 0.000 0.481 1583 T N -5.951 108.643 114.554 0.067 0.000 3.100 1583 T HA 0.224 4.574 4.350 -0.001 0.000 0.255 1583 T C 1.223 176.025 174.700 0.170 0.000 0.893 1583 T CA 0.780 62.966 62.100 0.144 0.000 0.882 1583 T CB 0.280 69.281 68.868 0.221 0.000 1.266 1583 T HN 0.013 nan 8.240 nan 0.000 0.528 1584 G N 2.149 111.042 108.800 0.156 0.000 2.184 1584 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.264 1584 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.264 1584 G C 0.043 174.994 174.900 0.084 0.000 0.975 1584 G CA 0.271 45.458 45.100 0.145 0.000 0.642 1584 G HN 0.750 nan 8.290 nan 0.000 0.536 1585 I N 1.581 122.233 120.570 0.137 0.000 2.291 1585 I HA 0.326 4.496 4.170 -0.001 0.000 0.292 1585 I C 0.459 176.653 176.117 0.128 0.000 1.064 1585 I CA -0.761 60.591 61.300 0.086 0.000 1.269 1585 I CB 1.413 39.499 38.000 0.143 0.000 1.418 1585 I HN -0.139 nan 8.210 nan 0.000 0.485 1586 V N 9.030 128.951 119.914 0.012 0.000 2.353 1586 V HA 0.209 4.329 4.120 -0.001 0.000 0.264 1586 V C -2.127 173.955 176.094 -0.020 0.000 1.049 1586 V CA -1.696 60.621 62.300 0.028 0.000 0.896 1586 V CB 0.514 32.335 31.823 -0.004 0.000 1.025 1586 V HN 0.561 nan 8.190 nan 0.000 0.475 1587 P HA 0.234 nan 4.420 nan 0.000 0.276 1587 P C 0.585 177.882 177.300 -0.006 0.000 1.243 1587 P CA 0.278 63.330 63.100 -0.080 0.000 0.768 1587 P CB 0.860 32.492 31.700 -0.114 0.000 0.856 1588 G N 2.548 111.320 108.800 -0.046 0.000 2.631 1588 G HA2 0.117 4.077 3.960 -0.001 0.000 0.271 1588 G HA3 0.117 4.077 3.960 -0.001 0.000 0.271 1588 G C -0.288 174.599 174.900 -0.020 0.000 1.302 1588 G CA -0.208 44.875 45.100 -0.029 0.000 1.002 1588 G HN 0.564 nan 8.290 nan 0.000 0.519 1589 N N -1.207 117.418 118.700 -0.125 0.000 2.623 1589 N HA 0.158 4.897 4.740 -0.001 0.000 0.256 1589 N C 1.252 176.392 175.510 -0.617 0.000 1.045 1589 N CA -0.659 52.143 53.050 -0.414 0.000 0.863 1589 N CB 0.990 39.480 38.487 0.005 0.000 1.182 1589 N HN 0.467 nan 8.380 nan 0.000 0.523 1590 R N 2.203 122.136 120.500 -0.944 0.000 2.120 1590 R HA -0.018 4.322 4.340 -0.001 0.000 0.234 1590 R C 0.425 176.486 176.300 -0.397 0.000 1.123 1590 R CA 1.224 57.007 56.100 -0.527 0.000 0.975 1590 R CB -0.221 29.850 30.300 -0.383 0.000 0.866 1590 R HN 0.592 nan 8.270 nan 0.000 0.446 1591 N N 0.850 119.283 118.700 -0.446 0.000 2.434 1591 N HA 0.067 4.807 4.740 -0.001 0.000 0.196 1591 N C 0.022 175.426 175.510 -0.177 0.000 1.183 1591 N CA -0.241 52.684 53.050 -0.209 0.000 0.849 1591 N CB 0.513 38.956 38.487 -0.074 0.000 0.992 1591 N HN 0.165 nan 8.380 nan 0.000 0.460 1592 A N 0.821 123.521 122.820 -0.199 0.000 2.810 1592 A HA -0.018 4.302 4.320 -0.001 0.000 0.247 1592 A C 0.940 178.495 177.584 -0.048 0.000 1.576 1592 A CA -0.172 51.799 52.037 -0.110 0.000 1.294 1592 A CB -0.348 18.641 19.000 -0.018 0.000 0.976 1592 A HN 0.154 nan 8.150 nan 0.000 0.631 1593 D N 1.074 121.412 120.400 -0.105 0.000 2.893 1593 D HA -0.268 4.371 4.640 -0.001 0.000 0.426 1593 D C 0.586 176.848 176.300 -0.064 0.000 1.026 1593 D CA 2.436 56.368 54.000 -0.113 0.000 1.274 1593 D CB -0.027 40.765 40.800 -0.014 0.000 1.089 1593 D HN 0.729 nan 8.370 nan 0.000 0.470 1594 N N -1.379 117.347 118.700 0.044 0.000 2.655 1594 N HA 0.211 4.950 4.740 -0.001 0.000 0.277 1594 N C -1.715 173.764 175.510 -0.052 0.000 1.177 1594 N CA -0.393 52.727 53.050 0.116 0.000 0.882 1594 N CB 1.277 39.877 38.487 0.189 0.000 1.481 1594 N HN -0.096 nan 8.380 nan 0.000 0.547 1595 V N 1.966 121.737 119.914 -0.238 0.000 2.673 1595 V HA 0.023 4.143 4.120 -0.001 0.000 0.303 1595 V C 0.795 176.788 176.094 -0.168 0.000 1.046 1595 V CA 0.023 62.116 62.300 -0.344 0.000 1.126 1595 V CB 0.412 31.872 31.823 -0.605 0.000 0.934 1595 V HN 0.696 nan 8.190 nan 0.000 0.487 1596 D N 4.381 124.687 120.400 -0.157 0.000 2.533 1596 D HA -0.031 4.609 4.640 -0.001 0.000 0.236 1596 D C 1.244 177.587 176.300 0.073 0.000 1.137 1596 D CA 0.089 54.054 54.000 -0.058 0.000 0.867 1596 D CB 0.774 41.500 40.800 -0.123 0.000 1.170 1596 D HN 0.425 nan 8.370 nan 0.000 0.474 1597 K N 2.736 123.207 120.400 0.117 0.000 2.218 1597 K HA -0.098 4.221 4.320 -0.001 0.000 0.205 1597 K C 1.794 178.384 176.600 -0.017 0.000 1.046 1597 K CA 0.627 56.986 56.287 0.121 0.000 0.933 1597 K CB -0.183 32.363 32.500 0.078 0.000 0.728 1597 K HN 0.365 nan 8.250 nan 0.000 0.454 1598 V N 1.289 121.189 119.914 -0.024 0.000 2.490 1598 V HA -0.216 3.903 4.120 -0.001 0.000 0.250 1598 V C 2.190 178.243 176.094 -0.069 0.000 1.061 1598 V CA 1.249 63.532 62.300 -0.029 0.000 1.064 1598 V CB -0.457 31.348 31.823 -0.030 0.000 0.670 1598 V HN 0.280 nan 8.190 nan 0.000 0.461 1599 M N -0.303 119.201 119.600 -0.160 0.000 2.557 1599 M HA -0.076 4.403 4.480 -0.001 0.000 0.259 1599 M C 2.030 178.311 176.300 -0.032 0.000 1.086 1599 M CA 1.043 56.187 55.300 -0.260 0.000 1.096 1599 M CB -1.106 31.351 32.600 -0.238 0.000 1.424 1599 M HN 0.560 nan 8.290 nan 0.000 0.488 1600 E N 1.090 121.095 120.200 -0.324 0.000 2.106 1600 E HA -0.205 4.144 4.350 -0.001 0.000 0.192 1600 E C 1.699 178.189 176.600 -0.183 0.000 0.984 1600 E CA 1.036 56.977 56.400 -0.764 0.000 0.806 1600 E CB 0.064 28.998 29.700 -1.277 0.000 0.750 1600 E HN 0.587 nan 8.360 nan 0.000 0.458 1601 Q N -0.449 119.405 119.800 0.090 0.000 2.308 1601 Q HA -0.152 4.187 4.340 -0.001 0.000 0.209 1601 Q C 0.064 176.177 176.000 0.188 0.000 0.985 1601 Q CA 0.785 56.681 55.803 0.154 0.000 0.881 1601 Q CB -0.249 28.602 28.738 0.188 0.000 0.917 1601 Q HN 0.342 nan 8.270 nan 0.000 0.443 1602 F N 1.613 121.569 119.950 0.010 0.000 2.425 1602 F HA 0.111 4.638 4.527 -0.000 0.000 0.354 1602 F C 0.747 176.595 175.800 0.080 0.000 1.162 1602 F CA -1.093 56.966 58.000 0.098 0.000 1.250 1602 F CB 0.461 39.557 39.000 0.160 0.000 1.579 1602 F HN -0.054 nan 8.300 nan 0.000 0.589 1603 D N 1.181 121.696 120.400 0.192 0.000 2.133 1603 D HA -0.280 4.360 4.640 -0.001 0.000 0.192 1603 D C 1.615 177.897 176.300 -0.030 0.000 1.001 1603 D CA 2.070 56.078 54.000 0.015 0.000 0.844 1603 D CB -0.256 40.461 40.800 -0.139 0.000 0.944 1603 D HN 0.538 nan 8.370 nan 0.000 0.447 1604 Y N 0.357 120.663 120.300 0.010 0.000 2.583 1604 Y HA 0.158 4.707 4.550 -0.001 0.000 0.293 1604 Y C 1.179 177.065 175.900 -0.022 0.000 1.157 1604 Y CA -0.194 57.900 58.100 -0.010 0.000 1.315 1604 Y CB 0.166 38.627 38.460 0.001 0.000 1.021 1604 Y HN -0.131 nan 8.280 nan 0.000 0.536 1605 I N 0.058 120.681 120.570 0.087 0.000 2.441 1605 I HA 0.416 4.586 4.170 -0.001 0.000 0.295 1605 I C -0.885 174.984 176.117 -0.413 0.000 0.994 1605 I CA -0.997 60.223 61.300 -0.133 0.000 1.144 1605 I CB 2.169 40.089 38.000 -0.132 0.000 1.314 1605 I HN -0.355 nan 8.210 nan 0.000 0.445 1606 V N 6.530 126.139 119.914 -0.508 0.000 2.709 1606 V HA 0.435 4.554 4.120 -0.001 0.000 0.308 1606 V C -1.454 174.339 176.094 -0.502 0.000 1.062 1606 V CA -0.444 61.553 62.300 -0.505 0.000 0.901 1606 V CB 2.224 33.820 31.823 -0.378 0.000 1.003 1606 V HN 0.484 nan 8.190 nan 0.000 0.425 1607 Y N 6.235 126.493 120.300 -0.070 0.000 2.593 1607 Y HA 0.495 5.045 4.550 -0.001 0.000 0.331 1607 Y C -2.255 173.661 175.900 0.027 0.000 0.986 1607 Y CA -3.063 55.033 58.100 -0.007 0.000 1.262 1607 Y CB 0.873 39.290 38.460 -0.071 0.000 1.098 1607 Y HN 0.467 nan 8.280 nan 0.000 0.506 1608 P HA 0.085 nan 4.420 nan 0.000 0.276 1608 P C 0.364 177.752 177.300 0.147 0.000 1.235 1608 P CA -0.124 63.061 63.100 0.141 0.000 0.772 1608 P CB 1.142 32.882 31.700 0.067 0.000 0.871 1609 S N 2.578 118.354 115.700 0.126 0.000 2.663 1609 S HA 0.301 4.770 4.470 -0.001 0.000 0.243 1609 S C 0.266 174.773 174.600 -0.155 0.000 1.009 1609 S CA -0.553 57.631 58.200 -0.027 0.000 0.988 1609 S CB -0.349 62.789 63.200 -0.103 0.000 0.896 1609 S HN 0.571 nan 8.310 nan 0.000 0.502 1610 R N -1.009 119.426 120.500 -0.109 0.000 2.634 1610 R HA 0.549 4.888 4.340 -0.001 0.000 0.263 1610 R C -1.488 174.739 176.300 -0.121 0.000 1.060 1610 R CA -0.583 55.430 56.100 -0.145 0.000 0.898 1610 R CB 0.295 30.494 30.300 -0.168 0.000 1.253 1610 R HN -0.047 nan 8.270 nan 0.000 0.461 1611 S N 1.905 117.510 115.700 -0.159 0.000 2.537 1611 S HA 0.253 4.723 4.470 -0.001 0.000 0.286 1611 S C 0.163 174.659 174.600 -0.173 0.000 1.299 1611 S CA -0.136 57.958 58.200 -0.176 0.000 1.067 1611 S CB 0.056 63.099 63.200 -0.261 0.000 0.864 1611 S HN 0.340 nan 8.310 nan 0.000 0.494 1612 I N 3.401 123.876 120.570 -0.158 0.000 2.362 1612 I HA 0.287 4.456 4.170 -0.001 0.000 0.289 1612 I C -0.143 175.822 176.117 -0.253 0.000 0.994 1612 I CA -0.925 60.263 61.300 -0.186 0.000 1.158 1612 I CB 1.513 39.417 38.000 -0.160 0.000 1.315 1612 I HN 0.323 nan 8.210 nan 0.000 0.451 1613 K N 6.200 126.416 120.400 -0.307 0.000 2.285 1613 K HA 0.337 4.657 4.320 -0.001 0.000 0.286 1613 K C -0.160 176.199 176.600 -0.402 0.000 1.072 1613 K CA -0.233 55.838 56.287 -0.359 0.000 0.913 1613 K CB 0.583 32.789 32.500 -0.491 0.000 1.067 1613 K HN 0.720 nan 8.250 nan 0.000 0.479 1614 T N 0.014 114.402 114.554 -0.276 0.000 2.922 1614 T HA 0.288 4.638 4.350 -0.001 0.000 0.281 1614 T C 0.627 175.596 174.700 0.448 0.000 1.005 1614 T CA -0.322 61.603 62.100 -0.292 0.000 0.982 1614 T CB 0.878 69.424 68.868 -0.537 0.000 1.158 1614 T HN 0.519 nan 8.240 nan 0.000 0.566 1615 D N -0.665 120.129 120.400 0.656 0.000 2.269 1615 D HA 0.314 4.953 4.640 -0.001 0.000 0.208 1615 D C 1.103 177.627 176.300 0.373 0.000 0.963 1615 D CA 0.803 55.115 54.000 0.519 0.000 0.864 1615 D CB -0.577 40.514 40.800 0.486 0.000 0.936 1615 D HN 1.160 nan 8.370 nan 0.000 0.505 1616 G N -0.863 108.133 108.800 0.326 0.000 2.353 1616 G HA2 0.316 4.276 3.960 -0.001 0.000 0.308 1616 G HA3 0.316 4.276 3.960 -0.001 0.000 0.308 1616 G C -1.660 173.393 174.900 0.256 0.000 1.418 1616 G CA -0.803 44.458 45.100 0.269 0.000 0.966 1616 G HN 0.101 nan 8.290 nan 0.000 0.638 1617 I N 0.181 120.910 120.570 0.265 0.000 2.646 1617 I HA 0.417 4.587 4.170 -0.001 0.000 0.299 1617 I C 0.741 177.024 176.117 0.277 0.000 1.036 1617 I CA -0.975 60.473 61.300 0.245 0.000 1.074 1617 I CB 2.316 40.440 38.000 0.207 0.000 1.258 1617 I HN 0.672 nan 8.210 nan 0.000 0.430 1618 K N 2.918 123.439 120.400 0.201 0.000 2.161 1618 K HA 0.426 4.745 4.320 -0.001 0.000 0.205 1618 K C 0.408 177.009 176.600 0.002 0.000 1.035 1618 K CA 0.509 56.868 56.287 0.120 0.000 0.970 1618 K CB 0.372 32.918 32.500 0.076 0.000 0.866 1618 K HN 0.714 nan 8.250 nan 0.000 0.461 1619 A N 0.898 123.720 122.820 0.004 0.000 2.515 1619 A HA 0.671 4.990 4.320 -0.001 0.000 0.296 1619 A C -1.383 176.231 177.584 0.050 0.000 1.094 1619 A CA -0.763 51.223 52.037 -0.085 0.000 0.718 1619 A CB 0.931 19.810 19.000 -0.202 0.000 1.307 1619 A HN 0.232 nan 8.150 nan 0.000 0.408 1620 F N -0.533 119.382 119.950 -0.058 0.000 2.613 1620 F HA 0.844 5.371 4.527 -0.000 0.000 0.314 1620 F C -0.318 175.443 175.800 -0.065 0.000 1.075 1620 F CA -0.930 57.046 58.000 -0.039 0.000 0.945 1620 F CB 1.824 40.809 39.000 -0.024 0.000 1.310 1620 F HN 0.522 nan 8.300 nan 0.000 0.467 1621 S N 2.347 118.179 115.700 0.219 0.000 2.667 1621 S HA 0.510 4.980 4.470 -0.001 0.000 0.304 1621 S C -1.586 173.106 174.600 0.152 0.000 1.135 1621 S CA -0.582 57.657 58.200 0.065 0.000 1.125 1621 S CB 0.827 64.001 63.200 -0.043 0.000 0.996 1621 S HN 1.072 nan 8.310 nan 0.000 0.474 1622 V N 6.929 126.975 119.914 0.220 0.000 2.353 1622 V HA 0.686 4.805 4.120 -0.001 0.000 0.264 1622 V C 0.212 176.288 176.094 -0.030 0.000 1.049 1622 V CA 0.365 62.733 62.300 0.115 0.000 0.896 1622 V CB 0.471 32.406 31.823 0.188 0.000 1.025 1622 V HN 0.996 nan 8.190 nan 0.000 0.475 1623 T N 3.499 117.991 114.554 -0.104 0.000 2.932 1623 T HA 0.882 5.231 4.350 -0.001 0.000 0.289 1623 T C -0.317 174.292 174.700 -0.150 0.000 1.039 1623 T CA 0.049 62.036 62.100 -0.190 0.000 1.024 1623 T CB 1.925 70.646 68.868 -0.246 0.000 1.090 1623 T HN 1.343 nan 8.240 nan 0.000 0.496 1624 S N 0.812 116.315 115.700 -0.328 0.000 2.587 1624 S HA 0.791 5.261 4.470 -0.001 0.000 0.269 1624 S C -1.839 172.343 174.600 -0.696 0.000 1.154 1624 S CA -0.965 57.022 58.200 -0.355 0.000 0.824 1624 S CB 0.904 63.941 63.200 -0.272 0.000 1.118 1624 S HN 0.653 nan 8.310 nan 0.000 0.462 1625 F N -0.230 119.276 119.950 -0.740 0.000 2.664 1625 F HA 0.983 5.510 4.527 -0.001 0.000 0.329 1625 F C 0.944 176.541 175.800 -0.338 0.000 1.090 1625 F CA 0.025 57.792 58.000 -0.390 0.000 0.978 1625 F CB 2.066 40.946 39.000 -0.199 0.000 1.378 1625 F HN 1.158 nan 8.300 nan 0.000 0.495 1626 G N -0.491 108.361 108.800 0.087 0.000 2.663 1626 G HA2 0.543 4.503 3.960 -0.001 0.000 0.299 1626 G HA3 0.543 4.503 3.960 -0.001 0.000 0.299 1626 G C -1.997 173.007 174.900 0.174 0.000 1.372 1626 G CA -0.759 44.441 45.100 0.166 0.000 0.781 1626 G HN 0.243 nan 8.290 nan 0.000 0.491 1627 F N 0.626 120.637 119.950 0.101 0.000 2.450 1627 F HA 0.448 4.975 4.527 -0.001 0.000 0.339 1627 F C 1.481 177.321 175.800 0.067 0.000 1.146 1627 F CA 1.335 59.394 58.000 0.098 0.000 1.267 1627 F CB 1.156 40.223 39.000 0.111 0.000 1.178 1627 F HN 1.150 nan 8.300 nan 0.000 0.585 1628 G N 2.120 111.037 108.800 0.195 0.000 2.298 1628 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.287 1628 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.287 1628 G C 0.212 175.158 174.900 0.078 0.000 1.075 1628 G CA 0.204 45.379 45.100 0.125 0.000 0.960 1628 G HN 0.817 nan 8.290 nan 0.000 0.502 1629 Q N -2.323 117.512 119.800 0.059 0.000 2.435 1629 Q HA -0.246 4.093 4.340 -0.001 0.000 0.286 1629 Q C 0.677 176.704 176.000 0.043 0.000 1.229 1629 Q CA 1.648 57.482 55.803 0.051 0.000 0.884 1629 Q CB -0.559 28.202 28.738 0.039 0.000 1.245 1629 Q HN 0.673 nan 8.270 nan 0.000 0.488 1630 K N 0.688 121.116 120.400 0.047 0.000 2.263 1630 K HA 0.448 4.768 4.320 -0.001 0.000 0.282 1630 K C -0.041 176.526 176.600 -0.054 0.000 1.089 1630 K CA 0.252 56.541 56.287 0.005 0.000 0.907 1630 K CB 1.000 33.515 32.500 0.024 0.000 1.148 1630 K HN 0.278 nan 8.250 nan 0.000 0.470 1631 G N 1.852 110.575 108.800 -0.128 0.000 2.626 1631 G HA2 0.711 4.671 3.960 -0.001 0.000 0.304 1631 G HA3 0.711 4.671 3.960 -0.001 0.000 0.304 1631 G C -1.440 173.255 174.900 -0.343 0.000 1.385 1631 G CA -0.607 44.287 45.100 -0.343 0.000 0.957 1631 G HN 0.639 nan 8.290 nan 0.000 0.504 1632 A N 2.285 124.845 122.820 -0.433 0.000 2.422 1632 A HA 0.859 5.178 4.320 -0.001 0.000 0.302 1632 A C -0.699 176.693 177.584 -0.320 0.000 1.041 1632 A CA -0.673 51.187 52.037 -0.296 0.000 0.708 1632 A CB 2.174 21.054 19.000 -0.200 0.000 1.257 1632 A HN 0.719 nan 8.150 nan 0.000 0.414 1633 Q N 1.025 120.680 119.800 -0.241 0.000 2.372 1633 Q HA 0.736 5.076 4.340 -0.001 0.000 0.273 1633 Q C -1.244 174.651 176.000 -0.175 0.000 1.078 1633 Q CA -0.695 54.979 55.803 -0.215 0.000 0.806 1633 Q CB 2.269 30.877 28.738 -0.217 0.000 1.332 1633 Q HN 1.332 nan 8.270 nan 0.000 0.435 1634 A N 4.005 126.734 122.820 -0.153 0.000 2.435 1634 A HA 0.744 5.064 4.320 -0.001 0.000 0.304 1634 A C -1.292 176.161 177.584 -0.219 0.000 1.064 1634 A CA -0.652 51.281 52.037 -0.174 0.000 0.727 1634 A CB 1.282 20.209 19.000 -0.121 0.000 1.284 1634 A HN 0.641 nan 8.150 nan 0.000 0.415 1635 I N 1.603 121.981 120.570 -0.320 0.000 2.433 1635 I HA 0.582 4.752 4.170 -0.001 0.000 0.292 1635 I C 0.562 176.272 176.117 -0.679 0.000 1.001 1635 I CA -0.225 60.793 61.300 -0.471 0.000 1.119 1635 I CB 1.249 39.036 38.000 -0.354 0.000 1.289 1635 I HN 0.769 nan 8.210 nan 0.000 0.438 1636 G N 4.681 112.701 108.800 -1.300 0.000 2.448 1636 G HA2 0.656 4.616 3.960 -0.001 0.000 0.324 1636 G HA3 0.656 4.616 3.960 -0.001 0.000 0.324 1636 G C -1.381 173.032 174.900 -0.812 0.000 1.203 1636 G CA -0.428 43.944 45.100 -1.214 0.000 0.954 1636 G HN 0.321 nan 8.290 nan 0.000 0.480 1637 V N 2.255 121.876 119.914 -0.488 0.000 2.638 1637 V HA 0.297 4.417 4.120 -0.001 0.000 0.306 1637 V C -0.135 175.806 176.094 -0.254 0.000 1.052 1637 V CA -1.049 60.994 62.300 -0.428 0.000 0.885 1637 V CB 1.615 33.046 31.823 -0.653 0.000 0.999 1637 V HN 0.882 nan 8.190 nan 0.000 0.424 1638 H N 6.706 125.659 119.070 -0.196 0.000 3.038 1638 H HA 0.029 4.585 4.556 -0.001 0.000 0.338 1638 H C -1.776 173.547 175.328 -0.008 0.000 1.041 1638 H CA -0.763 55.287 56.048 0.004 0.000 1.394 1638 H CB 1.701 31.556 29.762 0.154 0.000 1.357 1638 H HN 0.346 nan 8.280 nan 0.000 0.600 1639 P HA -0.243 nan 4.420 nan 0.000 0.216 1639 P C 1.456 178.878 177.300 0.204 0.000 1.154 1639 P CA 2.820 65.978 63.100 0.096 0.000 0.865 1639 P CB 0.059 31.889 31.700 0.217 0.000 0.789 1640 K N -0.979 119.803 120.400 0.636 0.000 2.077 1640 K HA -0.265 4.055 4.320 -0.001 0.000 0.213 1640 K C 1.842 178.576 176.600 0.223 0.000 1.051 1640 K CA 2.022 58.554 56.287 0.408 0.000 0.929 1640 K CB -1.685 30.836 32.500 0.036 0.000 0.715 1640 K HN 0.102 nan 8.250 nan 0.000 0.451 1641 Y N 0.989 121.330 120.300 0.068 0.000 2.256 1641 Y HA -0.153 4.396 4.550 -0.001 0.000 0.288 1641 Y C 2.346 178.392 175.900 0.244 0.000 1.155 1641 Y CA 1.163 59.343 58.100 0.133 0.000 1.203 1641 Y CB -0.515 38.004 38.460 0.098 0.000 0.980 1641 Y HN 0.141 nan 8.280 nan 0.000 0.530 1642 L N -1.181 120.076 121.223 0.058 0.000 2.027 1642 L HA -0.150 4.189 4.340 -0.001 0.000 0.206 1642 L C 1.867 178.811 176.870 0.123 0.000 1.074 1642 L CA 1.633 56.544 54.840 0.119 0.000 0.745 1642 L CB -0.772 41.083 42.059 -0.340 0.000 0.898 1642 L HN 0.043 nan 8.230 nan 0.000 0.433 1643 F N 0.517 120.607 119.950 0.233 0.000 2.307 1643 F HA -0.073 4.453 4.527 -0.001 0.000 0.301 1643 F C 2.369 178.289 175.800 0.201 0.000 1.076 1643 F CA 0.717 58.844 58.000 0.212 0.000 1.383 1643 F CB -1.429 37.667 39.000 0.161 0.000 1.055 1643 F HN 0.210 nan 8.300 nan 0.000 0.526 1644 A N -1.006 121.999 122.820 0.308 0.000 2.265 1644 A HA 0.074 4.394 4.320 -0.001 0.000 0.213 1644 A C 1.804 179.517 177.584 0.215 0.000 1.255 1644 A CA 1.014 53.175 52.037 0.207 0.000 0.862 1644 A CB -1.008 18.030 19.000 0.063 0.000 0.852 1644 A HN 0.276 nan 8.150 nan 0.000 0.484 1645 T N -0.162 114.542 114.554 0.249 0.000 3.014 1645 T HA 0.303 4.652 4.350 -0.001 0.000 0.250 1645 T C 0.794 175.598 174.700 0.174 0.000 1.060 1645 T CA 0.181 62.388 62.100 0.178 0.000 1.040 1645 T CB -0.153 68.812 68.868 0.162 0.000 0.971 1645 T HN 0.381 nan 8.240 nan 0.000 0.497 1646 L N 0.291 121.653 121.223 0.233 0.000 2.874 1646 L HA 0.607 4.947 4.340 -0.001 0.000 0.229 1646 L C -0.389 176.593 176.870 0.187 0.000 1.200 1646 L CA -1.286 53.668 54.840 0.190 0.000 0.976 1646 L CB 0.373 42.556 42.059 0.207 0.000 1.887 1646 L HN -0.065 nan 8.230 nan 0.000 0.543 1647 D N -0.957 119.490 120.400 0.079 0.000 2.340 1647 D HA 0.155 4.795 4.640 -0.001 0.000 0.240 1647 D C 0.282 176.372 176.300 -0.351 0.000 1.001 1647 D CA -0.615 53.385 54.000 -0.000 0.000 0.888 1647 D CB 2.244 43.045 40.800 0.003 0.000 1.310 1647 D HN 0.398 nan 8.370 nan 0.000 0.474 1648 K N 1.005 120.942 120.400 -0.773 0.000 2.228 1648 K HA -0.244 4.076 4.320 -0.001 0.000 0.205 1648 K C 1.531 177.817 176.600 -0.522 0.000 1.045 1648 K CA 1.442 56.929 56.287 -1.333 0.000 0.931 1648 K CB -0.019 31.773 32.500 -1.181 0.000 0.727 1648 K HN 0.459 nan 8.250 nan 0.000 0.458 1649 A N 1.410 124.070 122.820 -0.266 0.000 1.842 1649 A HA -0.294 4.026 4.320 -0.001 0.000 0.217 1649 A C 2.085 179.609 177.584 -0.099 0.000 1.206 1649 A CA 2.064 54.023 52.037 -0.130 0.000 0.630 1649 A CB -0.840 18.125 19.000 -0.059 0.000 0.839 1649 A HN 0.561 nan 8.150 nan 0.000 0.447 1650 Q N -2.087 117.679 119.800 -0.056 0.000 1.993 1650 Q HA -0.209 4.130 4.340 -0.001 0.000 0.202 1650 Q C 2.140 178.157 176.000 0.028 0.000 0.984 1650 Q CA 1.787 57.595 55.803 0.008 0.000 0.837 1650 Q CB -0.553 28.215 28.738 0.050 0.000 0.902 1650 Q HN 0.766 nan 8.270 nan 0.000 0.423 1651 Y N 1.805 122.037 120.300 -0.112 0.000 2.139 1651 Y HA -0.312 4.238 4.550 -0.001 0.000 0.282 1651 Y C 2.041 177.904 175.900 -0.061 0.000 1.179 1651 Y CA 2.099 60.154 58.100 -0.074 0.000 1.161 1651 Y CB -0.030 38.321 38.460 -0.182 0.000 0.970 1651 Y HN 0.138 nan 8.280 nan 0.000 0.511 1652 E N -0.741 119.369 120.200 -0.150 0.000 2.427 1652 E HA 0.000 4.350 4.350 -0.001 0.000 0.196 1652 E C 1.984 178.491 176.600 -0.155 0.000 1.028 1652 E CA 0.525 56.811 56.400 -0.190 0.000 0.864 1652 E CB -0.107 29.510 29.700 -0.139 0.000 0.813 1652 E HN 0.585 nan 8.360 nan 0.000 0.514 1653 A N -0.021 122.740 122.820 -0.098 0.000 1.943 1653 A HA -0.103 4.216 4.320 -0.001 0.000 0.213 1653 A C 1.847 179.406 177.584 -0.042 0.000 1.181 1653 A CA 0.585 52.589 52.037 -0.055 0.000 0.653 1653 A CB -0.504 18.487 19.000 -0.015 0.000 0.833 1653 A HN 0.514 nan 8.150 nan 0.000 0.451 1654 Y N -0.068 120.132 120.300 -0.167 0.000 2.200 1654 Y HA -0.215 4.335 4.550 -0.001 0.000 0.290 1654 Y C 2.286 178.049 175.900 -0.229 0.000 1.137 1654 Y CA 1.528 59.531 58.100 -0.162 0.000 1.163 1654 Y CB -0.783 37.598 38.460 -0.131 0.000 0.988 1654 Y HN 0.299 nan 8.280 nan 0.000 0.518 1655 C N -0.118 118.900 119.300 -0.470 0.000 2.409 1655 C HA -0.144 4.316 4.460 -0.001 0.000 0.284 1655 C C 2.633 177.411 174.990 -0.354 0.000 1.354 1655 C CA 1.229 59.923 59.018 -0.541 0.000 1.787 1655 C CB -1.282 26.166 27.740 -0.488 0.000 1.900 1655 C HN 0.574 nan 8.230 nan 0.000 0.520 1656 V N 0.249 120.010 119.914 -0.256 0.000 2.599 1656 V HA -0.100 4.020 4.120 -0.001 0.000 0.245 1656 V C 2.328 178.329 176.094 -0.155 0.000 1.046 1656 V CA 1.364 63.564 62.300 -0.166 0.000 1.065 1656 V CB -0.514 31.243 31.823 -0.109 0.000 0.703 1656 V HN 0.518 nan 8.190 nan 0.000 0.464 1657 K N 0.345 120.637 120.400 -0.179 0.000 2.026 1657 K HA -0.137 4.183 4.320 -0.001 0.000 0.208 1657 K C 2.164 178.673 176.600 -0.152 0.000 1.048 1657 K CA 1.483 57.688 56.287 -0.136 0.000 0.929 1657 K CB -0.554 31.879 32.500 -0.113 0.000 0.713 1657 K HN 0.291 nan 8.250 nan 0.000 0.439 1658 V N 1.988 121.720 119.914 -0.304 0.000 2.252 1658 V HA -0.320 3.800 4.120 -0.001 0.000 0.249 1658 V C 2.208 178.315 176.094 0.021 0.000 1.056 1658 V CA 1.933 64.117 62.300 -0.194 0.000 1.022 1658 V CB -0.511 31.060 31.823 -0.420 0.000 0.641 1658 V HN 0.391 nan 8.190 nan 0.000 0.445 1659 Q N -0.819 118.940 119.800 -0.069 0.000 2.364 1659 Q HA -0.027 4.313 4.340 -0.001 0.000 0.207 1659 Q C 2.244 178.202 176.000 -0.070 0.000 0.970 1659 Q CA 1.212 56.976 55.803 -0.065 0.000 0.888 1659 Q CB -0.297 28.387 28.738 -0.090 0.000 0.951 1659 Q HN 0.713 nan 8.270 nan 0.000 0.469 1660 A N 1.061 123.851 122.820 -0.051 0.000 1.872 1660 A HA -0.138 4.182 4.320 -0.001 0.000 0.214 1660 A C 1.967 179.543 177.584 -0.013 0.000 1.187 1660 A CA 0.893 52.908 52.037 -0.038 0.000 0.614 1660 A CB -0.228 18.754 19.000 -0.031 0.000 0.826 1660 A HN 0.156 nan 8.150 nan 0.000 0.442 1661 R N -0.841 119.682 120.500 0.038 0.000 2.080 1661 R HA -0.171 4.169 4.340 -0.001 0.000 0.236 1661 R C 2.456 178.788 176.300 0.053 0.000 1.137 1661 R CA 1.522 57.687 56.100 0.108 0.000 0.943 1661 R CB -0.381 30.061 30.300 0.236 0.000 0.846 1661 R HN 0.617 nan 8.270 nan 0.000 0.431 1662 Q N 1.253 120.993 119.800 -0.100 0.000 2.308 1662 Q HA -0.199 4.141 4.340 -0.001 0.000 0.209 1662 Q C 1.221 177.056 176.000 -0.276 0.000 0.985 1662 Q CA 1.701 57.102 55.803 -0.668 0.000 0.881 1662 Q CB 0.107 28.310 28.738 -0.890 0.000 0.917 1662 Q HN 0.287 nan 8.270 nan 0.000 0.443 1663 K N -0.649 119.674 120.400 -0.129 0.000 2.284 1663 K HA 0.018 4.338 4.320 -0.001 0.000 0.198 1663 K C 2.072 178.699 176.600 0.044 0.000 1.048 1663 K CA 0.423 56.681 56.287 -0.050 0.000 0.987 1663 K CB 0.311 32.764 32.500 -0.079 0.000 0.800 1663 K HN 0.033 nan 8.250 nan 0.000 0.486 1664 K N 0.632 121.042 120.400 0.016 0.000 2.031 1664 K HA -0.017 4.303 4.320 -0.001 0.000 0.205 1664 K C 2.133 178.770 176.600 0.062 0.000 1.049 1664 K CA 1.198 57.504 56.287 0.032 0.000 0.939 1664 K CB -0.060 32.436 32.500 -0.006 0.000 0.717 1664 K HN 0.071 nan 8.250 nan 0.000 0.438 1665 A N 0.701 123.528 122.820 0.012 0.000 1.902 1665 A HA -0.220 4.099 4.320 -0.001 0.000 0.217 1665 A C 2.090 179.635 177.584 -0.065 0.000 1.181 1665 A CA 1.437 53.440 52.037 -0.057 0.000 0.623 1665 A CB -0.845 18.048 19.000 -0.178 0.000 0.818 1665 A HN 0.462 nan 8.150 nan 0.000 0.443 1666 Y N 0.466 120.691 120.300 -0.124 0.000 2.145 1666 Y HA -0.263 4.287 4.550 -0.001 0.000 0.286 1666 Y C 2.541 178.559 175.900 0.197 0.000 1.145 1666 Y CA 2.376 60.511 58.100 0.058 0.000 1.148 1666 Y CB -0.313 38.166 38.460 0.031 0.000 0.981 1666 Y HN 0.325 nan 8.280 nan 0.000 0.507 1667 R N -0.656 120.008 120.500 0.272 0.000 2.083 1667 R HA -0.225 4.114 4.340 -0.001 0.000 0.237 1667 R C 2.164 178.570 176.300 0.176 0.000 1.137 1667 R CA 1.920 58.129 56.100 0.182 0.000 0.951 1667 R CB -0.869 29.537 30.300 0.177 0.000 0.851 1667 R HN 0.430 nan 8.270 nan 0.000 0.434 1668 F N 0.844 120.802 119.950 0.014 0.000 2.069 1668 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 1668 F C 1.951 177.753 175.800 0.004 0.000 1.113 1668 F CA 1.426 59.426 58.000 -0.000 0.000 1.214 1668 F CB -1.090 37.904 39.000 -0.011 0.000 0.978 1668 F HN 0.069 nan 8.300 nan 0.000 0.474 1669 F N 0.490 120.339 119.950 -0.168 0.000 2.091 1669 F HA -0.297 4.230 4.527 -0.001 0.000 0.299 1669 F C 2.839 178.434 175.800 -0.342 0.000 1.103 1669 F CA 2.439 60.273 58.000 -0.276 0.000 1.228 1669 F CB -0.793 38.146 39.000 -0.102 0.000 0.984 1669 F HN 0.078 nan 8.300 nan 0.000 0.477 1670 H N -0.690 118.275 119.070 -0.176 0.000 2.395 1670 H HA -0.126 4.430 4.556 -0.001 0.000 0.299 1670 H C 1.985 177.128 175.328 -0.308 0.000 1.070 1670 H CA 1.508 57.375 56.048 -0.301 0.000 1.356 1670 H CB -0.627 28.964 29.762 -0.285 0.000 1.401 1670 H HN 0.345 nan 8.280 nan 0.000 0.524 1671 N N 0.855 119.492 118.700 -0.105 0.000 2.104 1671 N HA -0.109 4.630 4.740 -0.001 0.000 0.190 1671 N C 2.203 177.594 175.510 -0.199 0.000 1.024 1671 N CA 1.637 54.625 53.050 -0.103 0.000 0.853 1671 N CB -0.506 37.984 38.487 0.006 0.000 1.008 1671 N HN 0.269 nan 8.380 nan 0.000 0.424 1672 G N 0.397 108.972 108.800 -0.376 0.000 2.403 1672 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.216 1672 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.216 1672 G C 1.568 176.243 174.900 -0.376 0.000 1.154 1672 G CA 0.325 45.173 45.100 -0.419 0.000 0.784 1672 G HN 0.305 nan 8.290 nan 0.000 0.538 1673 L N 0.057 120.889 121.223 -0.651 0.000 2.042 1673 L HA -0.071 4.269 4.340 -0.001 0.000 0.210 1673 L C 2.877 179.627 176.870 -0.199 0.000 1.076 1673 L CA 1.172 55.543 54.840 -0.781 0.000 0.749 1673 L CB -0.311 41.082 42.059 -1.110 0.000 0.893 1673 L HN 0.253 nan 8.230 nan 0.000 0.432 1674 I N -0.274 120.200 120.570 -0.160 0.000 2.233 1674 I HA -0.258 3.911 4.170 -0.001 0.000 0.243 1674 I C 1.503 177.653 176.117 0.055 0.000 1.093 1674 I CA 1.195 62.481 61.300 -0.022 0.000 1.380 1674 I CB -0.171 37.751 38.000 -0.129 0.000 1.067 1674 I HN 0.293 nan 8.210 nan 0.000 0.413 1675 N N 0.733 119.431 118.700 -0.003 0.000 2.280 1675 N HA 0.029 4.768 4.740 -0.001 0.000 0.192 1675 N C -0.396 175.138 175.510 0.040 0.000 1.109 1675 N CA 0.169 53.229 53.050 0.016 0.000 0.855 1675 N CB -0.042 38.441 38.487 -0.008 0.000 0.974 1675 N HN 0.160 nan 8.380 nan 0.000 0.482 1676 N N 0.303 119.049 118.700 0.076 0.000 2.780 1676 N HA -0.176 4.564 4.740 -0.001 0.000 0.247 1676 N C -0.627 174.928 175.510 0.075 0.000 1.076 1676 N CA 0.611 53.724 53.050 0.104 0.000 0.688 1676 N CB -1.123 37.394 38.487 0.050 0.000 0.957 1676 N HN 0.355 nan 8.380 nan 0.000 0.551 1677 K N 0.511 120.929 120.400 0.030 0.000 3.278 1677 K HA 0.322 4.642 4.320 -0.001 0.000 0.200 1677 K C 1.240 177.807 176.600 -0.055 0.000 1.107 1677 K CA -0.281 56.033 56.287 0.045 0.000 0.923 1677 K CB 0.501 33.029 32.500 0.048 0.000 0.787 1677 K HN 0.071 nan 8.250 nan 0.000 0.481 1678 L N 0.296 121.523 121.223 0.006 0.000 2.376 1678 L HA 0.096 4.436 4.340 -0.001 0.000 0.219 1678 L C 0.245 177.223 176.870 0.179 0.000 1.133 1678 L CA 0.994 55.814 54.840 -0.032 0.000 0.816 1678 L CB -0.067 42.089 42.059 0.162 0.000 0.933 1678 L HN 0.272 nan 8.230 nan 0.000 0.449 1679 F N 0.329 120.346 119.950 0.111 0.000 2.427 1679 F HA 0.439 4.966 4.527 -0.000 0.000 0.348 1679 F C -0.506 175.363 175.800 0.116 0.000 1.125 1679 F CA -0.654 57.422 58.000 0.128 0.000 0.989 1679 F CB 1.473 40.548 39.000 0.124 0.000 1.165 1679 F HN -0.450 nan 8.300 nan 0.000 0.442 1680 V N 6.345 126.222 119.914 -0.062 0.000 2.357 1680 V HA 0.583 4.703 4.120 -0.001 0.000 0.284 1680 V C 0.028 176.044 176.094 -0.131 0.000 1.018 1680 V CA -0.776 61.538 62.300 0.023 0.000 0.841 1680 V CB 1.230 33.081 31.823 0.048 0.000 0.991 1680 V HN 0.909 nan 8.190 nan 0.000 0.437 1681 A N 6.147 129.048 122.820 0.134 0.000 2.409 1681 A HA 0.497 4.816 4.320 -0.001 0.000 0.262 1681 A C 0.260 177.875 177.584 0.052 0.000 1.113 1681 A CA -0.334 51.804 52.037 0.167 0.000 0.790 1681 A CB 0.183 19.374 19.000 0.318 0.000 1.046 1681 A HN 0.618 nan 8.150 nan 0.000 0.496 1682 K N 2.100 122.502 120.400 0.003 0.000 2.276 1682 K HA 0.148 4.467 4.320 -0.001 0.000 0.283 1682 K C -0.173 176.465 176.600 0.062 0.000 1.044 1682 K CA -0.192 56.087 56.287 -0.013 0.000 0.944 1682 K CB 1.247 33.693 32.500 -0.090 0.000 1.012 1682 K HN 0.726 nan 8.250 nan 0.000 0.472 1683 D N 1.391 121.828 120.400 0.062 0.000 2.429 1683 D HA 0.001 4.640 4.640 -0.001 0.000 0.242 1683 D C 0.139 176.478 176.300 0.065 0.000 1.076 1683 D CA 0.949 54.991 54.000 0.069 0.000 0.955 1683 D CB 0.304 41.138 40.800 0.058 0.000 1.076 1683 D HN 0.157 nan 8.370 nan 0.000 0.448 1684 K N 1.207 121.641 120.400 0.057 0.000 2.144 1684 K HA 0.548 4.868 4.320 -0.001 0.000 0.270 1684 K C -0.105 176.522 176.600 0.045 0.000 1.005 1684 K CA -0.389 55.916 56.287 0.029 0.000 0.932 1684 K CB 1.471 33.977 32.500 0.010 0.000 1.021 1684 K HN 0.054 nan 8.250 nan 0.000 0.462 1685 A N 3.920 126.697 122.820 -0.070 0.000 2.310 1685 A HA 0.246 4.565 4.320 -0.001 0.000 0.260 1685 A C -1.471 175.913 177.584 -0.333 0.000 1.112 1685 A CA -0.761 51.163 52.037 -0.188 0.000 0.804 1685 A CB -0.434 18.271 19.000 -0.492 0.000 1.081 1685 A HN 0.467 nan 8.150 nan 0.000 0.499 1686 P HA -0.027 nan 4.420 nan 0.000 0.217 1686 P C -0.318 176.844 177.300 -0.230 0.000 1.151 1686 P CA 1.264 63.984 63.100 -0.634 0.000 0.828 1686 P CB -0.180 30.877 31.700 -1.072 0.000 0.788 1687 Y N -0.884 119.457 120.300 0.069 0.000 2.323 1687 Y HA 0.495 5.044 4.550 -0.001 0.000 0.331 1687 Y C 0.485 176.445 175.900 0.099 0.000 1.092 1687 Y CA -1.792 56.431 58.100 0.203 0.000 1.150 1687 Y CB 0.115 38.776 38.460 0.335 0.000 1.200 1687 Y HN -0.177 nan 8.280 nan 0.000 0.472 1688 E N 2.197 122.503 120.200 0.177 0.000 2.438 1688 E HA -0.093 4.257 4.350 -0.001 0.000 0.261 1688 E C 0.042 176.735 176.600 0.155 0.000 1.103 1688 E CA 0.012 56.473 56.400 0.102 0.000 0.959 1688 E CB 0.556 30.306 29.700 0.084 0.000 0.958 1688 E HN 0.716 nan 8.360 nan 0.000 0.447 1689 D N 1.468 121.922 120.400 0.089 0.000 2.144 1689 D HA -0.165 4.475 4.640 -0.001 0.000 0.199 1689 D C 1.999 178.346 176.300 0.078 0.000 0.984 1689 D CA 1.174 55.230 54.000 0.094 0.000 0.834 1689 D CB -0.090 40.735 40.800 0.040 0.000 0.955 1689 D HN 0.479 nan 8.370 nan 0.000 0.465 1690 R N 1.043 121.577 120.500 0.056 0.000 2.127 1690 R HA -0.082 4.258 4.340 -0.001 0.000 0.238 1690 R C 2.099 178.413 176.300 0.024 0.000 1.134 1690 R CA 1.216 57.333 56.100 0.029 0.000 0.975 1690 R CB -0.621 29.694 30.300 0.025 0.000 0.865 1690 R HN 0.215 nan 8.270 nan 0.000 0.447 1691 I N 0.837 121.443 120.570 0.061 0.000 3.030 1691 I HA -0.081 4.089 4.170 -0.001 0.000 0.270 1691 I C 2.681 178.778 176.117 -0.033 0.000 1.211 1691 I CA 0.483 61.802 61.300 0.031 0.000 1.479 1691 I CB -0.462 37.586 38.000 0.079 0.000 1.105 1691 I HN 0.290 nan 8.210 nan 0.000 0.447 1692 Q N 1.640 121.434 119.800 -0.010 0.000 2.065 1692 Q HA -0.295 4.044 4.340 -0.001 0.000 0.213 1692 Q C 2.282 178.083 176.000 -0.331 0.000 1.012 1692 Q CA 2.916 58.591 55.803 -0.213 0.000 0.876 1692 Q CB -0.094 28.546 28.738 -0.163 0.000 0.954 1692 Q HN 0.441 nan 8.270 nan 0.000 0.413 1693 S N 0.177 115.714 115.700 -0.271 0.000 2.387 1693 S HA -0.175 4.294 4.470 -0.001 0.000 0.230 1693 S C 1.736 176.282 174.600 -0.090 0.000 1.035 1693 S CA 1.605 59.676 58.200 -0.215 0.000 1.014 1693 S CB -0.152 62.959 63.200 -0.148 0.000 0.836 1693 S HN 0.349 nan 8.310 nan 0.000 0.466 1694 K N 0.539 120.886 120.400 -0.088 0.000 2.025 1694 K HA -0.037 4.282 4.320 -0.001 0.000 0.207 1694 K C 2.091 178.636 176.600 -0.091 0.000 1.049 1694 K CA 1.350 57.594 56.287 -0.072 0.000 0.933 1694 K CB -0.456 32.003 32.500 -0.069 0.000 0.714 1694 K HN 0.199 nan 8.250 nan 0.000 0.438 1695 V N 1.066 120.883 119.914 -0.162 0.000 2.332 1695 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 1695 V C 1.993 178.015 176.094 -0.120 0.000 1.055 1695 V CA 1.766 63.880 62.300 -0.310 0.000 1.038 1695 V CB -0.673 30.752 31.823 -0.662 0.000 0.651 1695 V HN 0.225 nan 8.190 nan 0.000 0.450 1696 F N -0.801 118.966 119.950 -0.304 0.000 2.408 1696 F HA -0.069 4.457 4.527 -0.001 0.000 0.300 1696 F C 1.925 177.700 175.800 -0.043 0.000 1.090 1696 F CA 1.029 58.930 58.000 -0.166 0.000 1.427 1696 F CB 0.022 38.921 39.000 -0.168 0.000 1.070 1696 F HN 0.123 nan 8.300 nan 0.000 0.549 1697 L N -1.583 119.688 121.223 0.080 0.000 2.642 1697 L HA 0.091 4.431 4.340 -0.001 0.000 0.233 1697 L C 0.482 177.308 176.870 -0.073 0.000 1.077 1697 L CA -0.084 54.761 54.840 0.009 0.000 0.879 1697 L CB -0.016 42.044 42.059 0.003 0.000 1.151 1697 L HN -0.140 nan 8.230 nan 0.000 0.495 1698 N N 1.746 120.387 118.700 -0.099 0.000 2.482 1698 N HA 0.115 4.854 4.740 -0.001 0.000 0.242 1698 N C -2.072 173.261 175.510 -0.294 0.000 1.100 1698 N CA -1.966 50.995 53.050 -0.150 0.000 0.946 1698 N CB 1.083 39.498 38.487 -0.120 0.000 1.227 1698 N HN -0.099 nan 8.380 nan 0.000 0.508 1699 P HA -0.003 nan 4.420 nan 0.000 0.251 1699 P C 0.101 177.145 177.300 -0.426 0.000 1.251 1699 P CA 0.927 63.634 63.100 -0.655 0.000 0.763 1699 P CB 0.242 31.730 31.700 -0.353 0.000 1.067 1700 Q N -1.982 117.676 119.800 -0.237 0.000 2.126 1700 Q HA 0.094 4.434 4.340 -0.001 0.000 0.233 1700 Q C 0.106 176.097 176.000 -0.015 0.000 0.788 1700 Q CA -0.038 55.716 55.803 -0.082 0.000 0.968 1700 Q CB 0.567 29.272 28.738 -0.055 0.000 1.163 1700 Q HN 0.175 nan 8.270 nan 0.000 0.471 1701 S N 1.267 116.935 115.700 -0.054 0.000 2.544 1701 S HA 0.264 4.734 4.470 -0.001 0.000 0.290 1701 S C -0.087 174.555 174.600 0.070 0.000 1.276 1701 S CA -0.127 58.036 58.200 -0.062 0.000 1.075 1701 S CB 0.640 63.694 63.200 -0.244 0.000 0.849 1701 S HN 0.158 nan 8.310 nan 0.000 0.494 1702 R N 1.646 122.268 120.500 0.204 0.000 2.740 1702 R HA 0.508 4.848 4.340 -0.001 0.000 0.273 1702 R C -1.216 175.361 176.300 0.461 0.000 0.998 1702 R CA -1.005 55.343 56.100 0.413 0.000 0.900 1702 R CB 1.855 32.296 30.300 0.235 0.000 1.223 1702 R HN 0.521 nan 8.270 nan 0.000 0.466 1703 V N 2.151 122.271 119.914 0.344 0.000 2.655 1703 V HA 0.090 4.210 4.120 -0.001 0.000 0.300 1703 V C 0.527 176.632 176.094 0.018 0.000 1.044 1703 V CA 0.446 62.746 62.300 -0.001 0.000 1.095 1703 V CB 1.258 32.882 31.823 -0.331 0.000 0.952 1703 V HN 0.915 nan 8.190 nan 0.000 0.485 1704 T N 2.905 117.467 114.554 0.014 0.000 2.925 1704 T HA 0.520 4.869 4.350 -0.001 0.000 0.285 1704 T C -0.342 174.346 174.700 -0.020 0.000 1.021 1704 T CA -0.795 61.306 62.100 0.001 0.000 1.042 1704 T CB 1.565 70.448 68.868 0.025 0.000 1.037 1704 T HN 0.543 nan 8.240 nan 0.000 0.481 1705 Q N 1.227 121.014 119.800 -0.022 0.000 2.349 1705 Q HA 0.209 4.549 4.340 -0.001 0.000 0.287 1705 Q C -0.152 175.842 176.000 -0.008 0.000 1.044 1705 Q CA 0.823 56.614 55.803 -0.019 0.000 0.918 1705 Q CB 0.338 29.064 28.738 -0.020 0.000 1.242 1705 Q HN 0.750 nan 8.270 nan 0.000 0.405 1706 E N 0.540 120.736 120.200 -0.006 0.000 2.316 1706 E HA 0.257 4.607 4.350 -0.001 0.000 0.258 1706 E C 0.109 176.710 176.600 0.001 0.000 0.952 1706 E CA -0.032 56.368 56.400 0.001 0.000 0.818 1706 E CB 1.455 31.157 29.700 0.003 0.000 1.260 1706 E HN 0.761 nan 8.360 nan 0.000 0.416 1707 S N 0.169 115.872 115.700 0.005 0.000 2.653 1707 S HA -0.112 4.358 4.470 -0.001 0.000 0.233 1707 S C 0.759 175.361 174.600 0.004 0.000 0.970 1707 S CA 0.781 58.984 58.200 0.004 0.000 0.947 1707 S CB -0.561 62.642 63.200 0.006 0.000 0.771 1707 S HN 0.477 nan 8.310 nan 0.000 0.538 1708 N N -0.232 118.470 118.700 0.004 0.000 2.193 1708 N HA 0.328 5.068 4.740 -0.001 0.000 0.210 1708 N C 1.114 176.624 175.510 0.001 0.000 1.215 1708 N CA 0.501 53.553 53.050 0.004 0.000 0.901 1708 N CB -0.033 38.459 38.487 0.008 0.000 1.060 1708 N HN 0.407 nan 8.380 nan 0.000 0.508 1709 G N -0.390 108.409 108.800 -0.002 0.000 2.218 1709 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.216 1709 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.216 1709 G C -0.457 174.439 174.900 -0.006 0.000 0.994 1709 G CA -0.159 44.936 45.100 -0.009 0.000 0.637 1709 G HN 0.367 nan 8.290 nan 0.000 0.505 1710 E N 0.256 120.460 120.200 0.007 0.000 2.349 1710 E HA 0.536 4.886 4.350 -0.001 0.000 0.265 1710 E C 0.068 176.681 176.600 0.021 0.000 1.064 1710 E CA -0.415 56.000 56.400 0.026 0.000 0.886 1710 E CB 1.212 30.933 29.700 0.035 0.000 1.036 1710 E HN 0.277 nan 8.360 nan 0.000 0.413 1711 L N 3.286 124.541 121.223 0.054 0.000 2.255 1711 L HA 0.329 4.668 4.340 -0.001 0.000 0.289 1711 L C 0.097 176.886 176.870 -0.135 0.000 1.046 1711 L CA -0.290 54.541 54.840 -0.014 0.000 0.816 1711 L CB 0.321 42.402 42.059 0.037 0.000 1.197 1711 L HN 0.242 nan 8.230 nan 0.000 0.427 1712 K N 3.345 123.660 120.400 -0.142 0.000 2.316 1712 K HA 0.471 4.790 4.320 -0.001 0.000 0.251 1712 K C -0.990 175.527 176.600 -0.138 0.000 0.934 1712 K CA -0.958 55.227 56.287 -0.170 0.000 0.802 1712 K CB 2.428 34.903 32.500 -0.043 0.000 1.171 1712 K HN 0.103 nan 8.250 nan 0.000 0.426 1713 F N 3.451 123.396 119.950 -0.010 0.000 2.571 1713 F HA 0.095 4.622 4.527 -0.001 0.000 0.384 1713 F C -1.556 174.261 175.800 0.028 0.000 1.058 1713 F CA -1.466 56.547 58.000 0.022 0.000 1.200 1713 F CB -0.413 38.622 39.000 0.059 0.000 1.077 1713 F HN 0.295 nan 8.300 nan 0.000 0.558 1714 P HA 0.334 nan 4.420 nan 0.000 0.274 1714 P C -0.602 176.763 177.300 0.109 0.000 1.256 1714 P CA -0.562 62.610 63.100 0.120 0.000 0.795 1714 P CB 0.640 32.392 31.700 0.086 0.000 1.038 1715 A N 0.000 122.865 122.820 0.074 0.000 2.254 1715 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 1715 A CA 0.000 52.071 52.037 0.057 0.000 0.836 1715 A CB 0.000 19.027 19.000 0.045 0.000 0.831 1715 A HN 0.000 nan 8.150 nan 0.000 0.486