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 2uvb_1_E 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 KDVIRALAXX 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 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 R N 1.555 122.058 120.500 0.005 0.000 2.248 2 R HA 0.198 4.539 4.340 0.001 0.000 0.337 2 R C -1.816 174.486 176.300 0.004 0.000 1.085 2 R CA -1.359 54.743 56.100 0.004 0.000 0.934 2 R CB 0.537 30.838 30.300 0.003 0.000 1.034 2 R HN -0.026 nan 8.270 nan 0.000 0.465 3 P HA -0.224 nan 4.420 nan 0.000 0.215 3 P C 0.375 177.677 177.300 0.003 0.000 1.157 3 P CA 1.461 64.564 63.100 0.005 0.000 0.874 3 P CB 0.244 31.946 31.700 0.003 0.000 0.790 4 E N -0.788 119.411 120.200 -0.002 0.000 2.204 4 E HA -0.095 4.255 4.350 0.001 0.000 0.195 4 E C 1.906 178.501 176.600 -0.007 0.000 0.990 4 E CA 0.766 57.160 56.400 -0.009 0.000 0.821 4 E CB -0.681 29.012 29.700 -0.012 0.000 0.750 4 E HN 0.096 nan 8.360 nan 0.000 0.477 5 V N 1.653 121.567 119.914 0.000 0.000 2.283 5 V HA -0.222 3.898 4.120 0.001 0.000 0.243 5 V C 2.094 178.197 176.094 0.015 0.000 1.039 5 V CA 1.849 64.153 62.300 0.006 0.000 1.016 5 V CB -0.441 31.386 31.823 0.007 0.000 0.650 5 V HN 0.197 nan 8.190 nan 0.000 0.449 6 E N -0.370 119.840 120.200 0.016 0.000 2.130 6 E HA -0.311 4.039 4.350 0.001 0.000 0.196 6 E C 2.301 178.923 176.600 0.037 0.000 0.998 6 E CA 1.561 57.976 56.400 0.024 0.000 0.806 6 E CB -0.156 29.556 29.700 0.020 0.000 0.738 6 E HN 0.610 nan 8.360 nan 0.000 0.459 7 Q N 0.566 120.384 119.800 0.030 0.000 1.956 7 Q HA -0.234 4.106 4.340 0.001 0.000 0.208 7 Q C 2.127 178.172 176.000 0.075 0.000 0.998 7 Q CA 1.728 57.556 55.803 0.042 0.000 0.855 7 Q CB -0.153 28.589 28.738 0.006 0.000 0.928 7 Q HN 0.382 nan 8.270 nan 0.000 0.418 8 E N 0.302 120.521 120.200 0.031 0.000 2.209 8 E HA -0.189 4.162 4.350 0.001 0.000 0.196 8 E C 2.104 178.785 176.600 0.134 0.000 0.993 8 E CA 0.716 57.145 56.400 0.048 0.000 0.819 8 E CB -0.106 29.589 29.700 -0.007 0.000 0.745 8 E HN 0.323 nan 8.360 nan 0.000 0.477 9 L N 0.596 121.874 121.223 0.092 0.000 2.007 9 L HA -0.103 4.238 4.340 0.001 0.000 0.205 9 L C 2.678 179.604 176.870 0.093 0.000 1.073 9 L CA 0.963 55.852 54.840 0.082 0.000 0.744 9 L CB -0.529 41.559 42.059 0.049 0.000 0.898 9 L HN 0.110 nan 8.230 nan 0.000 0.435 10 A N -0.614 122.258 122.820 0.087 0.000 1.917 10 A HA -0.329 3.991 4.320 0.001 0.000 0.219 10 A C 2.187 179.832 177.584 0.102 0.000 1.182 10 A CA 2.047 54.131 52.037 0.077 0.000 0.633 10 A CB -1.100 17.941 19.000 0.068 0.000 0.819 10 A HN 0.506 nan 8.150 nan 0.000 0.448 11 Y N 1.463 121.772 120.300 0.015 0.000 2.030 11 Y HA -0.275 4.275 4.550 0.001 0.000 0.274 11 Y C 2.729 178.644 175.900 0.024 0.000 1.153 11 Y CA 2.877 60.988 58.100 0.018 0.000 1.115 11 Y CB -0.732 37.738 38.460 0.016 0.000 0.969 11 Y HN 0.345 nan 8.280 nan 0.000 0.488 12 T N 1.014 115.672 114.554 0.174 0.000 2.995 12 T HA -0.123 4.228 4.350 0.001 0.000 0.269 12 T C 1.720 176.423 174.700 0.004 0.000 1.091 12 T CA 1.010 63.143 62.100 0.056 0.000 1.128 12 T CB -0.469 68.498 68.868 0.165 0.000 0.891 12 T HN 0.269 nan 8.240 nan 0.000 0.492 13 L N 1.323 122.558 121.223 0.020 0.000 2.005 13 L HA 0.081 4.421 4.340 0.001 0.000 0.207 13 L C 2.152 179.012 176.870 -0.016 0.000 1.072 13 L CA 1.429 56.273 54.840 0.008 0.000 0.744 13 L CB -1.082 40.986 42.059 0.016 0.000 0.895 13 L HN 0.169 nan 8.230 nan 0.000 0.433 14 L N -0.810 120.387 121.223 -0.043 0.000 1.955 14 L HA -0.218 4.122 4.340 0.001 0.000 0.213 14 L C 2.585 179.396 176.870 -0.098 0.000 1.072 14 L CA 2.255 57.054 54.840 -0.068 0.000 0.755 14 L CB -0.882 41.123 42.059 -0.089 0.000 0.888 14 L HN 0.194 nan 8.230 nan 0.000 0.432 15 V N 0.394 120.188 119.914 -0.200 0.000 2.278 15 V HA -0.307 3.813 4.120 0.001 0.000 0.251 15 V C 2.697 178.767 176.094 -0.041 0.000 1.062 15 V CA 1.995 64.178 62.300 -0.194 0.000 1.038 15 V CB -0.637 30.991 31.823 -0.325 0.000 0.646 15 V HN 0.467 nan 8.190 nan 0.000 0.447 16 E N -0.144 120.067 120.200 0.018 0.000 2.028 16 E HA -0.139 4.211 4.350 0.001 0.000 0.191 16 E C 2.258 178.973 176.600 0.192 0.000 0.988 16 E CA 1.060 57.553 56.400 0.156 0.000 0.799 16 E CB -0.496 29.279 29.700 0.125 0.000 0.755 16 E HN 0.515 nan 8.360 nan 0.000 0.447 17 L N 0.695 121.967 121.223 0.082 0.000 2.021 17 L HA -0.243 4.098 4.340 0.001 0.000 0.215 17 L C 2.583 179.494 176.870 0.069 0.000 1.074 17 L CA 1.163 56.042 54.840 0.066 0.000 0.760 17 L CB -0.459 41.612 42.059 0.020 0.000 0.889 17 L HN 0.127 nan 8.230 nan 0.000 0.433 18 L N -1.240 119.997 121.223 0.024 0.000 2.027 18 L HA -0.174 4.167 4.340 0.001 0.000 0.206 18 L C 2.899 179.766 176.870 -0.005 0.000 1.074 18 L CA 1.083 55.909 54.840 -0.022 0.000 0.745 18 L CB -0.997 41.028 42.059 -0.057 0.000 0.898 18 L HN 0.259 nan 8.230 nan 0.000 0.433 19 A N 0.088 122.934 122.820 0.044 0.000 1.869 19 A HA -0.281 4.040 4.320 0.001 0.000 0.218 19 A C 1.986 179.616 177.584 0.076 0.000 1.203 19 A CA 1.996 54.059 52.037 0.043 0.000 0.638 19 A CB -1.175 17.810 19.000 -0.025 0.000 0.831 19 A HN 0.439 nan 8.150 nan 0.000 0.450 20 Y N -0.247 120.109 120.300 0.094 0.000 2.583 20 Y HA -0.048 4.503 4.550 0.001 0.000 0.293 20 Y C 2.458 178.417 175.900 0.098 0.000 1.157 20 Y CA 0.922 59.086 58.100 0.107 0.000 1.315 20 Y CB -0.164 38.332 38.460 0.060 0.000 1.021 20 Y HN 0.477 nan 8.280 nan 0.000 0.536 21 Q N -0.102 119.789 119.800 0.152 0.000 2.135 21 Q HA -0.226 4.114 4.340 0.001 0.000 0.204 21 Q C 1.530 177.562 176.000 0.053 0.000 0.981 21 Q CA 1.566 57.401 55.803 0.052 0.000 0.856 21 Q CB -0.300 28.405 28.738 -0.056 0.000 0.902 21 Q HN 0.433 nan 8.270 nan 0.000 0.425 22 F N 0.701 120.663 119.950 0.020 0.000 2.041 22 F HA -0.275 4.253 4.527 0.001 0.000 0.296 22 F C 1.851 177.663 175.800 0.019 0.000 1.147 22 F CA 1.810 59.811 58.000 0.002 0.000 1.214 22 F CB -0.681 38.301 39.000 -0.030 0.000 0.947 22 F HN 0.148 nan 8.300 nan 0.000 0.511 23 A N -0.312 122.677 122.820 0.282 0.000 3.163 23 A HA 0.392 4.712 4.320 0.001 0.000 0.283 23 A C 0.003 177.675 177.584 0.148 0.000 1.412 23 A CA 0.056 52.196 52.037 0.171 0.000 1.053 23 A CB -0.581 18.495 19.000 0.127 0.000 1.082 23 A HN 0.191 nan 8.150 nan 0.000 0.639 24 M N 0.869 120.548 119.600 0.132 0.000 2.206 24 M HA 0.315 4.796 4.480 0.001 0.000 0.272 24 M C -2.972 173.374 176.300 0.078 0.000 1.012 24 M CA -1.967 53.395 55.300 0.103 0.000 0.986 24 M CB 1.607 34.277 32.600 0.116 0.000 1.740 24 M HN -0.004 nan 8.290 nan 0.000 0.472 25 P HA 0.079 nan 4.420 nan 0.000 0.266 25 P C -0.592 176.747 177.300 0.065 0.000 1.193 25 P CA -0.276 62.859 63.100 0.058 0.000 0.770 25 P CB 0.401 32.131 31.700 0.051 0.000 0.836 26 V N 4.247 124.203 119.914 0.070 0.000 2.368 26 V HA 0.175 4.295 4.120 0.001 0.000 0.266 26 V C 1.187 177.361 176.094 0.134 0.000 1.045 26 V CA -0.416 61.944 62.300 0.100 0.000 0.899 26 V CB 0.066 31.941 31.823 0.087 0.000 1.006 26 V HN 0.482 nan 8.190 nan 0.000 0.470 27 R N 4.748 125.325 120.500 0.128 0.000 4.071 27 R HA 0.083 4.424 4.340 0.001 0.000 0.220 27 R C 0.767 177.151 176.300 0.140 0.000 1.614 27 R CA -0.414 55.751 56.100 0.108 0.000 1.505 27 R CB 0.104 30.435 30.300 0.052 0.000 1.384 27 R HN 0.904 nan 8.270 nan 0.000 0.758 28 W N 2.669 123.969 121.300 0.001 0.000 2.800 28 W HA -0.011 4.649 4.660 0.001 0.000 0.249 28 W C 0.766 177.286 176.519 0.002 0.000 1.294 28 W CA 0.397 57.740 57.345 -0.002 0.000 1.402 28 W CB 0.220 29.677 29.460 -0.004 0.000 1.126 28 W HN 0.371 nan 8.180 nan 0.000 0.652 29 I N 0.588 121.175 120.570 0.028 0.000 2.206 29 I HA -0.270 3.900 4.170 0.001 0.000 0.239 29 I C 2.122 178.165 176.117 -0.124 0.000 1.078 29 I CA 1.386 62.660 61.300 -0.044 0.000 1.367 29 I CB -0.863 37.150 38.000 0.022 0.000 1.078 29 I HN -0.143 nan 8.210 nan 0.000 0.413 30 E N 0.857 121.009 120.200 -0.081 0.000 2.160 30 E HA -0.192 4.158 4.350 0.001 0.000 0.195 30 E C 2.078 178.583 176.600 -0.159 0.000 0.991 30 E CA 1.846 58.194 56.400 -0.087 0.000 0.810 30 E CB -0.422 29.249 29.700 -0.048 0.000 0.742 30 E HN 0.497 nan 8.360 nan 0.000 0.466 31 T N 1.228 115.629 114.554 -0.254 0.000 2.770 31 T HA -0.142 4.208 4.350 0.001 0.000 0.263 31 T C 1.896 176.281 174.700 -0.524 0.000 1.039 31 T CA 0.992 62.859 62.100 -0.389 0.000 1.142 31 T CB -0.135 68.424 68.868 -0.515 0.000 0.868 31 T HN 0.169 nan 8.240 nan 0.000 0.435 32 Q N 0.542 119.929 119.800 -0.688 0.000 2.135 32 Q HA -0.156 4.184 4.340 0.001 0.000 0.204 32 Q C 1.852 177.667 176.000 -0.309 0.000 0.981 32 Q CA 1.499 56.968 55.803 -0.556 0.000 0.856 32 Q CB -0.162 28.291 28.738 -0.475 0.000 0.902 32 Q HN 0.493 nan 8.270 nan 0.000 0.425 33 D N -0.563 119.719 120.400 -0.197 0.000 2.183 33 D HA -0.091 4.550 4.640 0.001 0.000 0.203 33 D C 1.736 177.982 176.300 -0.090 0.000 0.969 33 D CA 0.532 54.496 54.000 -0.059 0.000 0.842 33 D CB 0.116 40.924 40.800 0.013 0.000 0.957 33 D HN 0.000 nan 8.370 nan 0.000 0.484 34 V N 0.830 120.665 119.914 -0.132 0.000 2.626 34 V HA -0.164 3.956 4.120 0.001 0.000 0.252 34 V C 2.157 178.180 176.094 -0.119 0.000 1.067 34 V CA 1.053 63.288 62.300 -0.109 0.000 1.081 34 V CB -0.246 31.510 31.823 -0.112 0.000 0.686 34 V HN 0.284 nan 8.190 nan 0.000 0.468 35 I N -0.968 119.500 120.570 -0.171 0.000 2.400 35 I HA -0.113 4.057 4.170 0.001 0.000 0.248 35 I C 2.130 178.149 176.117 -0.164 0.000 1.109 35 I CA 1.348 62.552 61.300 -0.160 0.000 1.425 35 I CB -0.132 37.750 38.000 -0.197 0.000 1.094 35 I HN 0.265 nan 8.210 nan 0.000 0.425 36 L N 0.284 121.364 121.223 -0.239 0.000 2.162 36 L HA 0.026 4.367 4.340 0.001 0.000 0.205 36 L C 2.582 179.314 176.870 -0.229 0.000 1.086 36 L CA 1.005 55.638 54.840 -0.345 0.000 0.778 36 L CB -0.387 41.211 42.059 -0.768 0.000 0.928 36 L HN 0.156 nan 8.230 nan 0.000 0.446 37 A N -0.577 122.172 122.820 -0.119 0.000 1.909 37 A HA -0.018 4.303 4.320 0.001 0.000 0.209 37 A C 2.107 179.682 177.584 -0.015 0.000 1.247 37 A CA 0.364 52.372 52.037 -0.048 0.000 0.660 37 A CB -0.207 18.797 19.000 0.008 0.000 0.910 37 A HN 0.228 nan 8.150 nan 0.000 0.465 38 E N -0.063 120.123 120.200 -0.025 0.000 2.006 38 E HA -0.148 4.203 4.350 0.001 0.000 0.192 38 E C 1.517 178.116 176.600 -0.002 0.000 0.993 38 E CA 1.360 57.755 56.400 -0.009 0.000 0.808 38 E CB -0.099 29.586 29.700 -0.024 0.000 0.764 38 E HN 0.381 nan 8.360 nan 0.000 0.449 39 K N 0.180 120.567 120.400 -0.021 0.000 2.404 39 K HA 0.129 4.450 4.320 0.001 0.000 0.194 39 K C -0.355 176.241 176.600 -0.006 0.000 1.023 39 K CA -0.108 56.171 56.287 -0.013 0.000 1.094 39 K CB 0.282 32.767 32.500 -0.025 0.000 0.841 39 K HN 0.005 nan 8.250 nan 0.000 0.523 40 R N 1.679 122.175 120.500 -0.006 0.000 3.109 40 R HA -0.144 4.196 4.340 0.001 0.000 0.241 40 R C -0.577 175.722 176.300 -0.001 0.000 0.882 40 R CA 0.862 56.970 56.100 0.014 0.000 0.604 40 R CB -2.260 28.089 30.300 0.082 0.000 1.040 40 R HN 0.342 nan 8.270 nan 0.000 0.480 41 T N -2.922 111.611 114.554 -0.035 0.000 2.916 41 T HA 0.100 4.450 4.350 0.001 0.000 0.303 41 T C 1.210 175.898 174.700 -0.021 0.000 1.025 41 T CA -0.486 61.598 62.100 -0.027 0.000 1.142 41 T CB 1.456 70.299 68.868 -0.041 0.000 0.947 41 T HN 0.353 nan 8.240 nan 0.000 0.544 42 E N 2.177 122.376 120.200 -0.002 0.000 2.060 42 E HA 0.020 4.370 4.350 0.001 0.000 0.189 42 E C 0.709 177.309 176.600 -0.000 0.000 0.974 42 E CA 0.538 56.941 56.400 0.005 0.000 0.808 42 E CB 0.196 29.907 29.700 0.019 0.000 0.768 42 E HN 0.554 nan 8.360 nan 0.000 0.453 43 R N 1.489 121.990 120.500 0.003 0.000 2.215 43 R HA 0.337 4.678 4.340 0.001 0.000 0.336 43 R C -0.587 175.709 176.300 -0.006 0.000 0.996 43 R CA -0.176 55.924 56.100 -0.000 0.000 0.847 43 R CB 0.859 31.164 30.300 0.007 0.000 1.127 43 R HN 0.054 nan 8.270 nan 0.000 0.465 44 I N 3.862 124.427 120.570 -0.008 0.000 2.297 44 I HA 0.219 4.389 4.170 0.001 0.000 0.291 44 I C -0.159 175.969 176.117 0.017 0.000 1.033 44 I CA -0.853 60.448 61.300 0.001 0.000 1.253 44 I CB 1.283 39.280 38.000 -0.004 0.000 1.396 44 I HN 0.172 nan 8.210 nan 0.000 0.476 45 V N 6.186 126.116 119.914 0.027 0.000 2.394 45 V HA 0.246 4.366 4.120 0.001 0.000 0.282 45 V C 0.224 176.358 176.094 0.067 0.000 1.031 45 V CA -0.548 61.777 62.300 0.041 0.000 0.881 45 V CB 1.623 33.467 31.823 0.035 0.000 0.982 45 V HN 0.734 nan 8.190 nan 0.000 0.451 46 E N 4.665 124.913 120.200 0.079 0.000 2.175 46 E HA 0.570 4.921 4.350 0.001 0.000 0.278 46 E C -1.296 175.364 176.600 0.100 0.000 0.969 46 E CA -0.601 55.850 56.400 0.084 0.000 0.796 46 E CB 1.378 31.122 29.700 0.072 0.000 1.104 46 E HN 0.623 nan 8.360 nan 0.000 0.395 47 I N 4.209 124.813 120.570 0.058 0.000 2.410 47 I HA 0.585 4.756 4.170 0.001 0.000 0.286 47 I C 0.309 176.409 176.117 -0.030 0.000 1.009 47 I CA -0.332 60.977 61.300 0.016 0.000 1.111 47 I CB 1.607 39.583 38.000 -0.041 0.000 1.262 47 I HN 0.721 nan 8.210 nan 0.000 0.443 48 G N 6.296 115.082 108.800 -0.023 0.000 2.323 48 G HA2 0.221 4.181 3.960 0.001 0.000 0.291 48 G HA3 0.221 4.181 3.960 0.001 0.000 0.291 48 G C -2.852 172.056 174.900 0.013 0.000 1.278 48 G CA -0.395 44.685 45.100 -0.033 0.000 0.860 48 G HN 0.293 nan 8.290 nan 0.000 0.504 49 P HA 0.262 nan 4.420 nan 0.000 0.234 49 P C 0.410 177.723 177.300 0.023 0.000 1.175 49 P CA 0.640 63.751 63.100 0.019 0.000 0.801 49 P CB 0.531 32.229 31.700 -0.003 0.000 0.891 50 S N -0.135 115.572 115.700 0.011 0.000 2.627 50 S HA 0.295 4.765 4.470 0.001 0.000 0.283 50 S C -0.877 173.729 174.600 0.010 0.000 1.127 50 S CA -0.733 57.472 58.200 0.008 0.000 0.863 50 S CB 1.230 64.425 63.200 -0.008 0.000 1.121 50 S HN 0.099 nan 8.310 nan 0.000 0.479 51 D N 0.962 121.369 120.400 0.011 0.000 2.896 51 D HA 0.081 4.722 4.640 0.001 0.000 0.240 51 D C 1.180 177.481 176.300 0.001 0.000 1.193 51 D CA -0.276 53.732 54.000 0.013 0.000 0.983 51 D CB -0.284 40.526 40.800 0.018 0.000 1.074 51 D HN 0.554 nan 8.370 nan 0.000 0.496 52 T N -1.605 112.939 114.554 -0.017 0.000 2.781 52 T HA -0.042 4.309 4.350 0.001 0.000 0.252 52 T C 2.120 176.797 174.700 -0.038 0.000 1.039 52 T CA 0.111 62.189 62.100 -0.037 0.000 1.147 52 T CB -0.497 68.329 68.868 -0.070 0.000 0.865 52 T HN 0.237 nan 8.240 nan 0.000 0.423 53 L N 1.248 122.438 121.223 -0.055 0.000 2.275 53 L HA 0.134 4.475 4.340 0.001 0.000 0.215 53 L C 2.987 179.913 176.870 0.093 0.000 1.119 53 L CA 1.010 55.847 54.840 -0.004 0.000 0.790 53 L CB -0.980 41.071 42.059 -0.013 0.000 0.919 53 L HN 0.517 nan 8.230 nan 0.000 0.443 54 G N 0.121 108.954 108.800 0.055 0.000 2.434 54 G HA2 -0.170 3.791 3.960 0.001 0.000 0.214 54 G HA3 -0.170 3.791 3.960 0.001 0.000 0.214 54 G C 1.576 176.507 174.900 0.051 0.000 1.202 54 G CA 0.659 45.793 45.100 0.056 0.000 0.788 54 G HN 0.436 nan 8.290 nan 0.000 0.539 55 G N 0.326 109.149 108.800 0.038 0.000 2.443 55 G HA2 -0.141 3.819 3.960 0.001 0.000 0.219 55 G HA3 -0.141 3.819 3.960 0.001 0.000 0.219 55 G C 1.765 176.695 174.900 0.051 0.000 1.131 55 G CA 1.009 46.131 45.100 0.036 0.000 0.775 55 G HN 0.415 nan 8.290 nan 0.000 0.547 56 M N 0.811 120.451 119.600 0.066 0.000 2.159 56 M HA 0.102 4.583 4.480 0.001 0.000 0.263 56 M C 2.499 178.883 176.300 0.140 0.000 1.063 56 M CA 1.743 57.107 55.300 0.107 0.000 1.110 56 M CB 0.050 32.721 32.600 0.118 0.000 1.374 56 M HN 0.236 nan 8.290 nan 0.000 0.411 57 A N -0.585 122.312 122.820 0.129 0.000 2.178 57 A HA 0.059 4.380 4.320 0.001 0.000 0.211 57 A C 1.968 179.571 177.584 0.031 0.000 1.157 57 A CA 0.402 52.487 52.037 0.081 0.000 0.780 57 A CB -0.343 18.702 19.000 0.074 0.000 0.828 57 A HN 0.509 nan 8.150 nan 0.000 0.476 58 R N -0.581 119.944 120.500 0.041 0.000 2.119 58 R HA 0.079 4.420 4.340 0.001 0.000 0.222 58 R C 2.172 178.498 176.300 0.043 0.000 1.088 58 R CA 0.719 56.838 56.100 0.032 0.000 0.984 58 R CB -0.121 30.197 30.300 0.030 0.000 0.884 58 R HN 0.399 nan 8.270 nan 0.000 0.447 59 R N -0.031 120.501 120.500 0.054 0.000 2.090 59 R HA -0.057 4.284 4.340 0.001 0.000 0.228 59 R C 2.106 178.451 176.300 0.076 0.000 1.110 59 R CA 1.827 57.963 56.100 0.060 0.000 0.973 59 R CB -0.223 30.113 30.300 0.059 0.000 0.869 59 R HN 0.298 nan 8.270 nan 0.000 0.440 60 T N -0.206 114.398 114.554 0.083 0.000 2.962 60 T HA -0.000 4.350 4.350 0.001 0.000 0.270 60 T C 1.910 176.711 174.700 0.169 0.000 1.088 60 T CA 0.556 62.726 62.100 0.116 0.000 1.127 60 T CB -0.071 68.850 68.868 0.089 0.000 0.883 60 T HN 0.107 nan 8.240 nan 0.000 0.493 61 L N 0.232 121.505 121.223 0.083 0.000 2.217 61 L HA -0.018 4.322 4.340 0.001 0.000 0.211 61 L C 2.836 179.792 176.870 0.143 0.000 1.107 61 L CA 1.304 56.201 54.840 0.095 0.000 0.783 61 L CB -0.399 41.672 42.059 0.020 0.000 0.919 61 L HN 0.413 nan 8.230 nan 0.000 0.442 62 Q N -0.785 119.078 119.800 0.105 0.000 2.107 62 Q HA -0.097 4.243 4.340 0.001 0.000 0.195 62 Q C 2.289 178.336 176.000 0.079 0.000 0.964 62 Q CA 1.499 57.352 55.803 0.083 0.000 0.833 62 Q CB -0.012 28.761 28.738 0.058 0.000 0.910 62 Q HN 0.446 nan 8.270 nan 0.000 0.465 63 S N -0.125 115.621 115.700 0.076 0.000 2.515 63 S HA 0.003 4.473 4.470 0.001 0.000 0.231 63 S C 1.504 176.121 174.600 0.028 0.000 0.987 63 S CA 0.764 58.993 58.200 0.049 0.000 0.936 63 S CB 0.198 63.425 63.200 0.045 0.000 0.766 63 S HN 0.151 nan 8.310 nan 0.000 0.528 64 K N -0.955 119.474 120.400 0.048 0.000 2.494 64 K HA 0.257 4.577 4.320 0.001 0.000 0.201 64 K C 0.424 176.930 176.600 -0.155 0.000 1.338 64 K CA 0.213 56.441 56.287 -0.098 0.000 0.935 64 K CB 0.095 32.462 32.500 -0.221 0.000 1.514 64 K HN 0.306 nan 8.250 nan 0.000 0.490 65 Y N 2.219 122.518 120.300 -0.001 0.000 2.462 65 Y HA 0.021 4.572 4.550 0.001 0.000 0.293 65 Y C 1.723 177.677 175.900 0.090 0.000 1.195 65 Y CA 0.148 58.266 58.100 0.029 0.000 1.276 65 Y CB -0.127 38.320 38.460 -0.023 0.000 1.082 65 Y HN 0.191 nan 8.280 nan 0.000 0.514 66 E N 1.731 122.021 120.200 0.150 0.000 2.028 66 E HA -0.291 4.059 4.350 0.001 0.000 0.217 66 E C 2.277 178.945 176.600 0.113 0.000 1.039 66 E CA 2.240 58.707 56.400 0.112 0.000 0.882 66 E CB -0.421 29.319 29.700 0.066 0.000 0.794 66 E HN 0.300 nan 8.360 nan 0.000 0.488 67 A N -1.212 121.661 122.820 0.089 0.000 2.067 67 A HA -0.051 4.269 4.320 0.001 0.000 0.217 67 A C 2.216 179.853 177.584 0.087 0.000 1.156 67 A CA 1.195 53.273 52.037 0.067 0.000 0.683 67 A CB -0.863 18.158 19.000 0.036 0.000 0.808 67 A HN 0.553 nan 8.150 nan 0.000 0.455 68 Y N 1.192 121.502 120.300 0.016 0.000 2.114 68 Y HA -0.271 4.280 4.550 0.001 0.000 0.284 68 Y C 1.830 177.769 175.900 0.066 0.000 1.143 68 Y CA 2.244 60.363 58.100 0.032 0.000 1.135 68 Y CB -0.144 38.331 38.460 0.025 0.000 0.980 68 Y HN 0.346 nan 8.280 nan 0.000 0.499 69 D N 0.182 120.809 120.400 0.378 0.000 2.144 69 D HA -0.173 4.467 4.640 0.001 0.000 0.199 69 D C 2.218 178.563 176.300 0.074 0.000 0.984 69 D CA 1.389 55.538 54.000 0.247 0.000 0.834 69 D CB -0.525 40.412 40.800 0.228 0.000 0.955 69 D HN 0.510 nan 8.370 nan 0.000 0.465 70 A N 0.779 123.633 122.820 0.057 0.000 1.877 70 A HA -0.026 4.295 4.320 0.001 0.000 0.216 70 A C 2.278 179.844 177.584 -0.029 0.000 1.186 70 A CA 2.210 54.257 52.037 0.016 0.000 0.620 70 A CB -0.851 18.163 19.000 0.023 0.000 0.822 70 A HN 0.237 nan 8.150 nan 0.000 0.443 71 A N -0.945 121.833 122.820 -0.071 0.000 1.873 71 A HA -0.051 4.269 4.320 0.001 0.000 0.215 71 A C 2.188 179.681 177.584 -0.152 0.000 1.186 71 A CA 2.130 54.099 52.037 -0.113 0.000 0.616 71 A CB -1.243 17.671 19.000 -0.144 0.000 0.823 71 A HN 0.439 nan 8.150 nan 0.000 0.442 72 T N 0.822 115.226 114.554 -0.249 0.000 3.113 72 T HA 0.066 4.416 4.350 0.001 0.000 0.263 72 T C 0.999 175.643 174.700 -0.093 0.000 1.143 72 T CA 1.202 63.160 62.100 -0.236 0.000 1.090 72 T CB -0.587 68.033 68.868 -0.414 0.000 0.922 72 T HN 1.471 nan 8.240 nan 0.000 0.521 73 S N -0.033 115.634 115.700 -0.055 0.000 3.614 73 S HA -0.170 4.300 4.470 0.001 0.000 0.360 73 S C 0.112 174.719 174.600 0.010 0.000 1.023 73 S CA 0.008 58.199 58.200 -0.014 0.000 1.114 73 S CB -2.772 60.419 63.200 -0.016 0.000 0.907 73 S HN 0.345 nan 8.310 nan 0.000 0.470 74 V N 2.095 122.030 119.914 0.035 0.000 2.455 74 V HA 0.243 4.363 4.120 0.001 0.000 0.273 74 V C 0.921 177.048 176.094 0.056 0.000 1.045 74 V CA 0.033 62.374 62.300 0.069 0.000 0.976 74 V CB 1.072 32.984 31.823 0.150 0.000 0.993 74 V HN 0.674 nan 8.190 nan 0.000 0.475 75 Q N 5.489 125.313 119.800 0.040 0.000 2.274 75 Q HA 0.529 4.870 4.340 0.001 0.000 0.256 75 Q C -0.422 175.594 176.000 0.026 0.000 0.927 75 Q CA -0.284 55.538 55.803 0.031 0.000 0.939 75 Q CB 1.590 30.344 28.738 0.026 0.000 1.201 75 Q HN 0.617 nan 8.270 nan 0.000 0.426 76 R N 1.803 122.315 120.500 0.020 0.000 2.740 76 R HA 0.399 4.739 4.340 0.001 0.000 0.282 76 R C -0.961 175.341 176.300 0.004 0.000 0.969 76 R CA -0.677 55.425 56.100 0.004 0.000 0.918 76 R CB 2.101 32.394 30.300 -0.011 0.000 1.175 76 R HN 0.514 nan 8.270 nan 0.000 0.464 77 Q N 3.264 123.063 119.800 -0.002 0.000 2.350 77 Q HA 0.336 4.676 4.340 0.001 0.000 0.255 77 Q C -1.478 174.519 176.000 -0.005 0.000 0.951 77 Q CA -0.363 55.440 55.803 -0.001 0.000 0.751 77 Q CB 1.437 30.175 28.738 0.001 0.000 1.296 77 Q HN 0.604 nan 8.270 nan 0.000 0.453 78 I N 5.457 126.026 120.570 -0.002 0.000 2.312 78 I HA 0.336 4.507 4.170 0.001 0.000 0.290 78 I C -0.601 175.520 176.117 0.006 0.000 1.008 78 I CA -0.505 60.798 61.300 0.004 0.000 1.226 78 I CB 0.883 38.889 38.000 0.010 0.000 1.371 78 I HN 0.461 nan 8.210 nan 0.000 0.468 79 L N 6.357 127.585 121.223 0.008 0.000 2.341 79 L HA 0.492 4.832 4.340 0.001 0.000 0.278 79 L C -0.239 176.650 176.870 0.031 0.000 1.005 79 L CA -0.599 54.244 54.840 0.006 0.000 0.818 79 L CB 2.011 44.061 42.059 -0.014 0.000 1.259 79 L HN 0.631 nan 8.230 nan 0.000 0.418 80 C N 1.441 120.760 119.300 0.032 0.000 2.335 80 C HA 0.261 4.722 4.460 0.001 0.000 0.363 80 C C 1.506 176.549 174.990 0.088 0.000 1.198 80 C CA -0.360 58.697 59.018 0.065 0.000 2.279 80 C CB 0.885 28.655 27.740 0.050 0.000 2.334 80 C HN 0.859 nan 8.230 nan 0.000 0.559 81 Y N 1.535 121.846 120.300 0.018 0.000 2.314 81 Y HA 0.021 4.572 4.550 0.001 0.000 0.293 81 Y C 2.191 178.105 175.900 0.022 0.000 1.129 81 Y CA 2.114 60.235 58.100 0.035 0.000 1.201 81 Y CB -0.257 38.228 38.460 0.040 0.000 0.999 81 Y HN 0.846 nan 8.280 nan 0.000 0.541 82 C N 0.701 120.075 119.300 0.124 0.000 3.440 82 C HA -0.129 4.331 4.460 0.001 0.000 0.294 82 C C 2.557 177.528 174.990 -0.032 0.000 1.261 82 C CA 1.169 60.211 59.018 0.041 0.000 1.783 82 C CB -1.079 26.695 27.740 0.057 0.000 2.126 82 C HN 0.443 nan 8.230 nan 0.000 0.460 83 K N 1.083 121.475 120.400 -0.012 0.000 2.001 83 K HA -0.157 4.163 4.320 0.001 0.000 0.214 83 K C 0.636 177.208 176.600 -0.046 0.000 1.050 83 K CA 1.657 57.930 56.287 -0.025 0.000 0.934 83 K CB -0.464 32.030 32.500 -0.009 0.000 0.718 83 K HN 0.594 nan 8.250 nan 0.000 0.443 84 D N 0.377 120.749 120.400 -0.048 0.000 2.889 84 D HA 0.146 4.787 4.640 0.001 0.000 0.243 84 D C 0.892 177.132 176.300 -0.099 0.000 1.270 84 D CA 0.063 54.027 54.000 -0.059 0.000 0.838 84 D CB 0.614 41.391 40.800 -0.038 0.000 1.040 84 D HN 0.183 nan 8.370 nan 0.000 0.480 85 A N 1.012 123.742 122.820 -0.149 0.000 1.940 85 A HA -0.219 4.101 4.320 0.001 0.000 0.219 85 A C 2.150 179.633 177.584 -0.169 0.000 1.176 85 A CA 1.150 53.035 52.037 -0.254 0.000 0.631 85 A CB -0.057 18.750 19.000 -0.322 0.000 0.814 85 A HN 0.114 nan 8.150 nan 0.000 0.446 86 K N -0.426 119.901 120.400 -0.122 0.000 2.062 86 K HA -0.097 4.224 4.320 0.001 0.000 0.205 86 K C 1.794 178.365 176.600 -0.047 0.000 1.051 86 K CA 1.381 57.620 56.287 -0.080 0.000 0.941 86 K CB -0.164 32.297 32.500 -0.065 0.000 0.719 86 K HN 0.654 nan 8.250 nan 0.000 0.440 87 E N 0.844 120.996 120.200 -0.080 0.000 2.268 87 E HA -0.108 4.243 4.350 0.001 0.000 0.195 87 E C 1.896 178.326 176.600 -0.282 0.000 0.995 87 E CA 0.490 56.806 56.400 -0.139 0.000 0.836 87 E CB 0.008 29.644 29.700 -0.106 0.000 0.763 87 E HN 0.204 nan 8.360 nan 0.000 0.491 88 I N 0.313 120.784 120.570 -0.165 0.000 2.179 88 I HA -0.252 3.918 4.170 0.001 0.000 0.242 88 I C 1.591 177.537 176.117 -0.285 0.000 1.088 88 I CA 1.643 62.825 61.300 -0.198 0.000 1.357 88 I CB -0.783 37.206 38.000 -0.018 0.000 1.051 88 I HN 0.179 nan 8.210 nan 0.000 0.409 89 Y N -0.822 119.344 120.300 -0.224 0.000 2.470 89 Y HA 0.055 4.605 4.550 0.001 0.000 0.284 89 Y C -0.121 175.796 175.900 0.028 0.000 1.188 89 Y CA -0.557 57.497 58.100 -0.076 0.000 1.269 89 Y CB -0.357 38.079 38.460 -0.040 0.000 1.094 89 Y HN 0.024 nan 8.280 nan 0.000 0.518 90 Y N 0.058 120.420 120.300 0.102 0.000 3.001 90 Y HA -0.290 4.260 4.550 0.001 0.000 0.199 90 Y C -0.271 175.666 175.900 0.061 0.000 1.320 90 Y CA 0.293 58.428 58.100 0.058 0.000 0.974 90 Y CB -1.548 36.933 38.460 0.034 0.000 1.291 90 Y HN 0.198 nan 8.280 nan 0.000 0.465 91 D N 0.753 121.236 120.400 0.138 0.000 2.460 91 D HA 0.646 5.286 4.640 0.001 0.000 0.232 91 D C -0.893 175.440 176.300 0.055 0.000 1.079 91 D CA -0.257 53.796 54.000 0.088 0.000 0.864 91 D CB 0.796 41.624 40.800 0.046 0.000 1.048 91 D HN 0.009 nan 8.370 nan 0.000 0.523 92 V N 2.596 122.545 119.914 0.059 0.000 2.876 92 V HA 0.459 4.579 4.120 0.001 0.000 0.312 92 V C -0.004 176.108 176.094 0.030 0.000 1.085 92 V CA -1.022 61.302 62.300 0.040 0.000 0.945 92 V CB 2.141 33.994 31.823 0.050 0.000 1.017 92 V HN 0.340 nan 8.190 nan 0.000 0.428 93 E N 2.654 122.866 120.200 0.019 0.000 2.266 93 E HA 0.620 4.970 4.350 0.001 0.000 0.277 93 E C -2.095 174.514 176.600 0.014 0.000 1.018 93 E CA -1.065 55.344 56.400 0.014 0.000 0.840 93 E CB 0.746 30.451 29.700 0.008 0.000 1.082 93 E HN 0.609 nan 8.360 nan 0.000 0.395 326 D N 2.573 122.975 120.400 0.003 0.000 2.350 326 D HA 0.026 4.667 4.640 0.001 0.000 0.216 326 D C 1.727 178.030 176.300 0.004 0.000 0.968 326 D CA 1.386 55.389 54.000 0.005 0.000 0.894 326 D CB 0.195 40.998 40.800 0.004 0.000 0.909 326 D HN 0.446 nan 8.370 nan 0.000 0.520 327 A N 0.262 123.082 122.820 0.001 0.000 1.997 327 A HA 0.105 4.425 4.320 0.001 0.000 0.212 327 A C 2.130 179.712 177.584 -0.004 0.000 1.178 327 A CA -0.032 52.004 52.037 -0.002 0.000 0.698 327 A CB -0.370 18.627 19.000 -0.004 0.000 0.842 327 A HN 0.123 nan 8.150 nan 0.000 0.458 328 L N 0.454 121.676 121.223 -0.002 0.000 2.456 328 L HA -0.097 4.243 4.340 0.001 0.000 0.224 328 L C 2.361 179.231 176.870 -0.000 0.000 1.148 328 L CA 1.622 56.460 54.840 -0.003 0.000 0.825 328 L CB -0.064 41.994 42.059 -0.001 0.000 0.937 328 L HN 0.662 nan 8.230 nan 0.000 0.450 329 T N -6.428 108.130 114.554 0.005 0.000 2.969 329 T HA 0.033 4.384 4.350 0.001 0.000 0.250 329 T C 1.683 176.392 174.700 0.015 0.000 1.021 329 T CA -0.303 61.806 62.100 0.016 0.000 1.003 329 T CB 0.082 68.965 68.868 0.025 0.000 1.040 329 T HN 0.017 nan 8.240 nan 0.000 0.492 330 K N 1.274 121.678 120.400 0.006 0.000 2.442 330 K HA -0.035 4.285 4.320 0.001 0.000 0.198 330 K C 1.283 177.877 176.600 -0.010 0.000 1.042 330 K CA 1.069 57.358 56.287 0.004 0.000 0.958 330 K CB -0.006 32.495 32.500 0.001 0.000 0.766 330 K HN 0.411 nan 8.250 nan 0.000 0.474 331 D N 0.507 120.893 120.400 -0.023 0.000 2.137 331 D HA -0.126 4.514 4.640 0.001 0.000 0.202 331 D C 1.907 178.156 176.300 -0.085 0.000 0.970 331 D CA 0.794 54.764 54.000 -0.050 0.000 0.837 331 D CB 0.075 40.843 40.800 -0.053 0.000 0.981 331 D HN 0.156 nan 8.370 nan 0.000 0.475 332 Q N 1.109 120.867 119.800 -0.070 0.000 1.985 332 Q HA -0.158 4.182 4.340 0.001 0.000 0.207 332 Q C 2.341 178.315 176.000 -0.044 0.000 0.996 332 Q CA 1.253 56.995 55.803 -0.101 0.000 0.851 332 Q CB -0.463 28.307 28.738 0.053 0.000 0.921 332 Q HN 0.365 nan 8.270 nan 0.000 0.418 333 R N 0.457 121.002 120.500 0.076 0.000 2.112 333 R HA -0.183 4.158 4.340 0.001 0.000 0.242 333 R C 2.388 178.727 176.300 0.065 0.000 1.137 333 R CA 1.483 57.655 56.100 0.121 0.000 0.944 333 R CB -0.740 29.605 30.300 0.076 0.000 0.857 333 R HN 0.310 nan 8.270 nan 0.000 0.435 334 A N 1.711 124.534 122.820 0.004 0.000 1.873 334 A HA -0.223 4.098 4.320 0.001 0.000 0.218 334 A C 2.185 179.740 177.584 -0.049 0.000 1.193 334 A CA 1.686 53.713 52.037 -0.017 0.000 0.629 334 A CB -0.722 18.259 19.000 -0.031 0.000 0.826 334 A HN 0.299 nan 8.150 nan 0.000 0.447 335 L N -1.261 119.876 121.223 -0.143 0.000 2.043 335 L HA -0.143 4.198 4.340 0.001 0.000 0.212 335 L C 2.202 178.949 176.870 -0.206 0.000 1.075 335 L CA 2.086 56.775 54.840 -0.252 0.000 0.752 335 L CB -0.790 40.982 42.059 -0.478 0.000 0.891 335 L HN 0.422 nan 8.230 nan 0.000 0.432 336 F N -0.683 119.262 119.950 -0.008 0.000 2.335 336 F HA -0.058 4.470 4.527 0.001 0.000 0.296 336 F C 2.490 178.286 175.800 -0.006 0.000 1.091 336 F CA 0.832 58.827 58.000 -0.008 0.000 1.399 336 F CB -0.146 38.849 39.000 -0.008 0.000 1.067 336 F HN 0.038 nan 8.300 nan 0.000 0.520 337 K N 0.614 121.113 120.400 0.165 0.000 2.097 337 K HA -0.208 4.112 4.320 0.001 0.000 0.206 337 K C 1.933 178.574 176.600 0.067 0.000 1.049 337 K CA 1.475 57.819 56.287 0.095 0.000 0.933 337 K CB -0.042 32.493 32.500 0.059 0.000 0.717 337 K HN 0.304 nan 8.250 nan 0.000 0.442 338 Q N -0.169 119.659 119.800 0.046 0.000 2.079 338 Q HA -0.173 4.167 4.340 0.001 0.000 0.200 338 Q C 2.223 178.249 176.000 0.043 0.000 0.974 338 Q CA 1.014 56.834 55.803 0.028 0.000 0.840 338 Q CB -0.043 28.695 28.738 0.001 0.000 0.898 338 Q HN 0.329 nan 8.270 nan 0.000 0.430 339 Q N 0.866 120.708 119.800 0.070 0.000 2.029 339 Q HA -0.214 4.127 4.340 0.001 0.000 0.209 339 Q C 2.235 178.283 176.000 0.080 0.000 0.999 339 Q CA 1.357 57.217 55.803 0.095 0.000 0.857 339 Q CB -0.525 28.340 28.738 0.212 0.000 0.926 339 Q HN 0.433 nan 8.270 nan 0.000 0.415 340 L N 0.995 122.271 121.223 0.088 0.000 2.013 340 L HA -0.239 4.101 4.340 0.001 0.000 0.212 340 L C 2.374 179.274 176.870 0.050 0.000 1.073 340 L CA 1.439 56.316 54.840 0.060 0.000 0.753 340 L CB -0.198 41.893 42.059 0.054 0.000 0.890 340 L HN 0.226 nan 8.230 nan 0.000 0.432 341 E N 0.303 120.531 120.200 0.047 0.000 2.058 341 E HA -0.255 4.096 4.350 0.001 0.000 0.194 341 E C 2.106 178.734 176.600 0.047 0.000 0.997 341 E CA 2.075 58.499 56.400 0.040 0.000 0.801 341 E CB -0.389 29.331 29.700 0.032 0.000 0.746 341 E HN 0.777 nan 8.360 nan 0.000 0.450 342 I N -1.668 118.931 120.570 0.047 0.000 2.676 342 I HA -0.092 4.079 4.170 0.001 0.000 0.259 342 I C 2.302 178.467 176.117 0.079 0.000 1.194 342 I CA 0.755 62.088 61.300 0.054 0.000 1.473 342 I CB -0.320 37.701 38.000 0.035 0.000 1.096 342 I HN -0.077 nan 8.210 nan 0.000 0.443 343 I N 2.020 122.632 120.570 0.071 0.000 2.233 343 I HA -0.168 4.003 4.170 0.001 0.000 0.243 343 I C 3.085 179.284 176.117 0.137 0.000 1.093 343 I CA 1.243 62.600 61.300 0.095 0.000 1.380 343 I CB -0.617 37.420 38.000 0.061 0.000 1.067 343 I HN 0.285 nan 8.210 nan 0.000 0.413 344 A N 1.225 124.097 122.820 0.087 0.000 1.873 344 A HA -0.301 4.019 4.320 0.001 0.000 0.218 344 A C 2.448 180.076 177.584 0.073 0.000 1.193 344 A CA 2.243 54.321 52.037 0.069 0.000 0.629 344 A CB -0.881 18.146 19.000 0.044 0.000 0.826 344 A HN 0.364 nan 8.150 nan 0.000 0.447 345 R N -2.028 118.518 120.500 0.077 0.000 2.103 345 R HA -0.242 4.099 4.340 0.001 0.000 0.242 345 R C 2.076 178.431 176.300 0.092 0.000 1.142 345 R CA 2.234 58.375 56.100 0.070 0.000 0.960 345 R CB -0.520 29.820 30.300 0.068 0.000 0.858 345 R HN 0.678 nan 8.270 nan 0.000 0.439 346 Y N 0.677 120.981 120.300 0.007 0.000 2.263 346 Y HA -0.051 4.500 4.550 0.001 0.000 0.292 346 Y C 1.527 177.430 175.900 0.005 0.000 1.130 346 Y CA 1.337 59.440 58.100 0.006 0.000 1.179 346 Y CB 0.030 38.494 38.460 0.007 0.000 0.998 346 Y HN 0.037 nan 8.280 nan 0.000 0.532 347 L N 0.719 121.952 121.223 0.016 0.000 2.599 347 L HA -0.029 4.312 4.340 0.001 0.000 0.230 347 L C 0.376 177.196 176.870 -0.083 0.000 1.141 347 L CA 0.375 55.173 54.840 -0.069 0.000 0.877 347 L CB -0.370 41.717 42.059 0.046 0.000 1.009 347 L HN 0.025 nan 8.230 nan 0.000 0.447 348 K N 1.277 121.637 120.400 -0.067 0.000 3.244 348 K HA -0.177 4.143 4.320 0.001 0.000 0.270 348 K C -0.375 176.210 176.600 -0.024 0.000 1.016 348 K CA 1.077 57.335 56.287 -0.049 0.000 0.754 348 K CB -1.722 30.733 32.500 -0.076 0.000 1.326 348 K HN 0.550 nan 8.250 nan 0.000 0.465 349 M N -1.487 118.109 119.600 -0.006 0.000 2.213 349 M HA 0.391 4.872 4.480 0.001 0.000 0.286 349 M C -0.569 175.736 176.300 0.008 0.000 1.008 349 M CA -0.963 54.338 55.300 0.001 0.000 0.937 349 M CB 2.271 34.873 32.600 0.004 0.000 1.600 349 M HN -0.112 nan 8.290 nan 0.000 0.450 350 D N 3.487 123.891 120.400 0.006 0.000 2.358 350 D HA 0.239 4.880 4.640 0.001 0.000 0.258 350 D C 0.596 176.902 176.300 0.009 0.000 1.223 350 D CA -0.093 53.912 54.000 0.009 0.000 0.886 350 D CB 1.020 41.825 40.800 0.008 0.000 1.120 350 D HN 0.831 nan 8.370 nan 0.000 0.482 351 L N 3.318 124.546 121.223 0.010 0.000 2.109 351 L HA -0.030 4.311 4.340 0.001 0.000 0.207 351 L C 1.835 178.707 176.870 0.003 0.000 1.086 351 L CA 0.682 55.527 54.840 0.007 0.000 0.760 351 L CB -0.117 41.946 42.059 0.008 0.000 0.910 351 L HN 0.229 nan 8.230 nan 0.000 0.437 352 R N 0.152 120.655 120.500 0.005 0.000 2.335 352 R HA 0.149 4.490 4.340 0.001 0.000 0.223 352 R C 1.972 178.280 176.300 0.012 0.000 0.940 352 R CA 0.520 56.622 56.100 0.003 0.000 1.086 352 R CB -0.260 30.042 30.300 0.004 0.000 1.073 352 R HN 0.205 nan 8.270 nan 0.000 0.504 353 A N -0.003 122.825 122.820 0.014 0.000 2.019 353 A HA -0.052 4.269 4.320 0.001 0.000 0.219 353 A C 2.153 179.756 177.584 0.032 0.000 1.164 353 A CA 1.679 53.729 52.037 0.021 0.000 0.644 353 A CB -0.686 18.323 19.000 0.016 0.000 0.805 353 A HN 0.426 nan 8.150 nan 0.000 0.449 354 G N -0.122 108.694 108.800 0.027 0.000 2.404 354 G HA2 -0.168 3.793 3.960 0.001 0.000 0.214 354 G HA3 -0.168 3.793 3.960 0.001 0.000 0.214 354 G C 1.137 176.076 174.900 0.066 0.000 1.189 354 G CA 0.967 46.092 45.100 0.042 0.000 0.789 354 G HN 0.525 nan 8.290 nan 0.000 0.533 355 D N 0.794 121.207 120.400 0.021 0.000 2.178 355 D HA -0.074 4.567 4.640 0.001 0.000 0.201 355 D C 2.306 178.666 176.300 0.101 0.000 0.980 355 D CA 0.733 54.737 54.000 0.006 0.000 0.842 355 D CB 0.001 40.771 40.800 -0.049 0.000 0.948 355 D HN 0.301 nan 8.370 nan 0.000 0.472 356 K N 0.950 121.396 120.400 0.076 0.000 2.001 356 K HA -0.055 4.265 4.320 0.001 0.000 0.208 356 K C 2.265 178.925 176.600 0.099 0.000 1.048 356 K CA 1.031 57.364 56.287 0.077 0.000 0.932 356 K CB -0.138 32.389 32.500 0.046 0.000 0.715 356 K HN -0.001 nan 8.250 nan 0.000 0.437 357 A N 0.943 123.819 122.820 0.094 0.000 2.019 357 A HA -0.155 4.166 4.320 0.001 0.000 0.219 357 A C 1.921 179.572 177.584 0.111 0.000 1.164 357 A CA 1.007 53.092 52.037 0.080 0.000 0.644 357 A CB -0.613 18.424 19.000 0.061 0.000 0.805 357 A HN 0.410 nan 8.150 nan 0.000 0.449 358 F N 0.142 120.092 119.950 -0.001 0.000 2.098 358 F HA -0.112 4.416 4.527 0.001 0.000 0.294 358 F C 2.145 177.945 175.800 -0.001 0.000 1.107 358 F CA 1.832 59.832 58.000 -0.001 0.000 1.234 358 F CB -0.331 38.669 39.000 -0.001 0.000 1.002 358 F HN 0.003 nan 8.300 nan 0.000 0.472 359 V N 1.256 121.425 119.914 0.425 0.000 2.317 359 V HA -0.420 3.700 4.120 0.001 0.000 0.251 359 V C 2.777 178.876 176.094 0.007 0.000 1.065 359 V CA 2.045 64.473 62.300 0.214 0.000 1.049 359 V CB -1.547 30.387 31.823 0.186 0.000 0.651 359 V HN 0.594 nan 8.190 nan 0.000 0.450 360 A N 0.053 122.881 122.820 0.013 0.000 1.851 360 A HA -0.268 4.053 4.320 0.001 0.000 0.216 360 A C 2.581 180.123 177.584 -0.070 0.000 1.195 360 A CA 2.753 54.779 52.037 -0.019 0.000 0.622 360 A CB -0.989 18.011 19.000 0.001 0.000 0.831 360 A HN 0.703 nan 8.150 nan 0.000 0.444 361 S N -1.026 114.605 115.700 -0.115 0.000 2.423 361 S HA -0.153 4.318 4.470 0.001 0.000 0.231 361 S C 1.795 176.279 174.600 -0.194 0.000 1.014 361 S CA 1.282 59.398 58.200 -0.140 0.000 0.965 361 S CB -0.430 62.683 63.200 -0.144 0.000 0.785 361 S HN 0.602 nan 8.310 nan 0.000 0.495 362 Q N -0.090 119.532 119.800 -0.296 0.000 2.482 362 Q HA 0.076 4.416 4.340 0.001 0.000 0.209 362 Q C 1.548 177.468 176.000 -0.135 0.000 0.961 362 Q CA 0.501 56.135 55.803 -0.282 0.000 0.945 362 Q CB 0.076 28.544 28.738 -0.450 0.000 1.012 362 Q HN 0.634 nan 8.270 nan 0.000 0.515 363 E N -0.381 119.762 120.200 -0.094 0.000 2.099 363 E HA 0.008 4.359 4.350 0.001 0.000 0.191 363 E C 1.867 178.440 176.600 -0.045 0.000 0.962 363 E CA 0.482 56.852 56.400 -0.051 0.000 0.826 363 E CB 0.202 29.884 29.700 -0.030 0.000 0.788 363 E HN 0.094 nan 8.360 nan 0.000 0.461 364 S N 1.353 117.022 115.700 -0.051 0.000 2.442 364 S HA -0.116 4.355 4.470 0.001 0.000 0.236 364 S C 1.697 176.273 174.600 -0.041 0.000 1.007 364 S CA 0.612 58.788 58.200 -0.039 0.000 0.965 364 S CB -0.054 63.123 63.200 -0.038 0.000 0.773 364 S HN 0.235 nan 8.310 nan 0.000 0.504 365 Q N 0.170 119.934 119.800 -0.061 0.000 2.482 365 Q HA 0.080 4.421 4.340 0.001 0.000 0.209 365 Q C 1.457 177.434 176.000 -0.038 0.000 0.961 365 Q CA 0.556 56.325 55.803 -0.057 0.000 0.945 365 Q CB 0.139 28.824 28.738 -0.089 0.000 1.012 365 Q HN 0.460 nan 8.270 nan 0.000 0.515 366 K N -1.307 119.074 120.400 -0.031 0.000 2.306 366 K HA 0.158 4.478 4.320 0.001 0.000 0.200 366 K C 1.846 178.442 176.600 -0.008 0.000 1.083 366 K CA 0.600 56.876 56.287 -0.018 0.000 0.959 366 K CB 0.246 32.736 32.500 -0.018 0.000 0.994 366 K HN 0.020 nan 8.250 nan 0.000 0.492 367 A N 1.786 124.601 122.820 -0.009 0.000 2.024 367 A HA -0.125 4.195 4.320 0.001 0.000 0.220 367 A C 1.976 179.565 177.584 0.009 0.000 1.164 367 A CA 1.135 53.171 52.037 -0.002 0.000 0.643 367 A CB -0.509 18.488 19.000 -0.004 0.000 0.806 367 A HN 0.119 nan 8.150 nan 0.000 0.451 368 L N -1.433 119.794 121.223 0.006 0.000 1.950 368 L HA -0.210 4.130 4.340 0.001 0.000 0.210 368 L C 2.813 179.702 176.870 0.031 0.000 1.079 368 L CA 2.100 56.950 54.840 0.018 0.000 0.754 368 L CB -0.947 41.113 42.059 0.003 0.000 0.889 368 L HN 0.472 nan 8.230 nan 0.000 0.433 369 Q N -0.101 119.710 119.800 0.018 0.000 2.325 369 Q HA -0.221 4.120 4.340 0.001 0.000 0.211 369 Q C 1.917 177.936 176.000 0.031 0.000 0.988 369 Q CA 1.871 57.689 55.803 0.025 0.000 0.887 369 Q CB -0.141 28.603 28.738 0.010 0.000 0.915 369 Q HN 0.504 nan 8.270 nan 0.000 0.440 370 A N 0.041 122.875 122.820 0.022 0.000 1.835 370 A HA -0.272 4.049 4.320 0.001 0.000 0.215 370 A C 2.050 179.649 177.584 0.026 0.000 1.199 370 A CA 1.703 53.749 52.037 0.016 0.000 0.615 370 A CB -0.847 18.156 19.000 0.005 0.000 0.838 370 A HN 0.562 nan 8.150 nan 0.000 0.444 371 Q N -1.011 118.815 119.800 0.042 0.000 2.084 371 Q HA -0.166 4.175 4.340 0.001 0.000 0.202 371 Q C 2.092 178.189 176.000 0.161 0.000 0.978 371 Q CA 1.598 57.439 55.803 0.062 0.000 0.844 371 Q CB -0.225 28.570 28.738 0.094 0.000 0.898 371 Q HN 0.563 nan 8.270 nan 0.000 0.426 372 L N 1.302 122.636 121.223 0.185 0.000 2.043 372 L HA -0.230 4.111 4.340 0.001 0.000 0.212 372 L C 1.532 178.519 176.870 0.195 0.000 1.075 372 L CA 1.991 56.970 54.840 0.232 0.000 0.752 372 L CB -0.309 41.818 42.059 0.113 0.000 0.891 372 L HN 0.178 nan 8.230 nan 0.000 0.432 373 D N -1.003 119.461 120.400 0.107 0.000 2.263 373 D HA -0.160 4.481 4.640 0.001 0.000 0.208 373 D C 2.003 178.341 176.300 0.064 0.000 0.971 373 D CA 0.956 55.001 54.000 0.075 0.000 0.867 373 D CB -0.065 40.759 40.800 0.039 0.000 0.929 373 D HN 0.286 nan 8.370 nan 0.000 0.492 374 L N -0.587 120.655 121.223 0.032 0.000 1.973 374 L HA -0.082 4.258 4.340 0.001 0.000 0.208 374 L C 1.884 178.751 176.870 -0.005 0.000 1.073 374 L CA 1.695 56.500 54.840 -0.059 0.000 0.746 374 L CB -0.927 41.011 42.059 -0.203 0.000 0.891 374 L HN 0.081 nan 8.230 nan 0.000 0.433 375 W N -0.117 121.204 121.300 0.034 0.000 2.304 375 W HA -0.286 4.374 4.660 0.001 0.000 0.315 375 W C 2.709 179.278 176.519 0.084 0.000 1.233 375 W CA 1.330 58.698 57.345 0.039 0.000 1.261 375 W CB -0.600 28.830 29.460 -0.049 0.000 1.150 375 W HN 0.237 nan 8.180 nan 0.000 0.494 376 Q N -0.227 119.747 119.800 0.290 0.000 2.135 376 Q HA -0.191 4.149 4.340 0.001 0.000 0.204 376 Q C 2.279 178.364 176.000 0.142 0.000 0.981 376 Q CA 2.012 57.925 55.803 0.183 0.000 0.856 376 Q CB -0.988 27.823 28.738 0.122 0.000 0.902 376 Q HN 0.424 nan 8.270 nan 0.000 0.425 377 A N 0.572 123.455 122.820 0.106 0.000 1.903 377 A HA -0.083 4.238 4.320 0.001 0.000 0.213 377 A C 1.884 179.479 177.584 0.019 0.000 1.185 377 A CA 0.761 52.825 52.037 0.046 0.000 0.628 377 A CB -0.097 18.910 19.000 0.012 0.000 0.830 377 A HN 0.143 nan 8.150 nan 0.000 0.446 378 E N -0.567 119.655 120.200 0.036 0.000 2.338 378 E HA -0.130 4.220 4.350 0.001 0.000 0.197 378 E C 1.012 177.425 176.600 -0.312 0.000 1.007 378 E CA 1.177 57.513 56.400 -0.107 0.000 0.849 378 E CB -0.107 29.535 29.700 -0.098 0.000 0.774 378 E HN 0.849 nan 8.360 nan 0.000 0.506 379 H N -1.819 117.202 119.070 -0.082 0.000 3.266 379 H HA 0.339 4.896 4.556 0.001 0.000 0.246 379 H C 0.765 176.053 175.328 -0.067 0.000 0.998 379 H CA 0.545 56.473 56.048 -0.201 0.000 1.152 379 H CB 1.097 30.679 29.762 -0.299 0.000 1.466 379 H HN 0.190 nan 8.280 nan 0.000 0.481 380 G N 0.740 109.619 108.800 0.132 0.000 2.781 380 G HA2 -0.246 3.715 3.960 0.001 0.000 0.683 380 G HA3 -0.246 3.715 3.960 0.001 0.000 0.683 380 G C -0.071 174.922 174.900 0.154 0.000 1.390 380 G CA 0.009 45.178 45.100 0.115 0.000 0.850 380 G HN 0.221 nan 8.290 nan 0.000 0.557 381 D N -0.232 120.233 120.400 0.108 0.000 2.097 381 D HA -0.068 4.573 4.640 0.001 0.000 0.197 381 D C 2.722 179.080 176.300 0.098 0.000 0.984 381 D CA 1.652 55.707 54.000 0.092 0.000 0.826 381 D CB -0.078 40.756 40.800 0.058 0.000 0.973 381 D HN 0.515 nan 8.370 nan 0.000 0.460 382 I N -0.081 120.549 120.570 0.099 0.000 2.286 382 I HA -0.269 3.902 4.170 0.001 0.000 0.248 382 I C 2.399 178.577 176.117 0.101 0.000 1.115 382 I CA 0.908 62.257 61.300 0.080 0.000 1.392 382 I CB -0.419 37.626 38.000 0.075 0.000 1.065 382 I HN -0.006 nan 8.210 nan 0.000 0.418 383 Y N 1.871 122.196 120.300 0.043 0.000 2.200 383 Y HA -0.227 4.323 4.550 0.001 0.000 0.290 383 Y C 2.615 178.528 175.900 0.021 0.000 1.137 383 Y CA 1.432 59.564 58.100 0.054 0.000 1.163 383 Y CB -0.190 38.342 38.460 0.120 0.000 0.988 383 Y HN 0.099 nan 8.280 nan 0.000 0.518 384 A N 0.630 123.604 122.820 0.258 0.000 1.908 384 A HA -0.190 4.130 4.320 0.001 0.000 0.218 384 A C 2.387 179.959 177.584 -0.020 0.000 1.181 384 A CA 2.036 54.146 52.037 0.122 0.000 0.627 384 A CB -1.522 17.544 19.000 0.110 0.000 0.818 384 A HN 0.623 nan 8.150 nan 0.000 0.445 385 A N -0.653 122.157 122.820 -0.016 0.000 1.898 385 A HA 0.153 4.474 4.320 0.001 0.000 0.216 385 A C 2.367 179.888 177.584 -0.105 0.000 1.181 385 A CA 1.794 53.800 52.037 -0.053 0.000 0.620 385 A CB -1.312 17.671 19.000 -0.028 0.000 0.819 385 A HN 0.804 nan 8.150 nan 0.000 0.442 386 G N 0.258 108.975 108.800 -0.138 0.000 2.598 386 G HA2 0.039 3.999 3.960 0.001 0.000 0.215 386 G HA3 0.039 3.999 3.960 0.001 0.000 0.215 386 G C 1.186 175.921 174.900 -0.274 0.000 1.131 386 G CA 0.977 45.962 45.100 -0.192 0.000 0.785 386 G HN 0.791 nan 8.290 nan 0.000 0.539 387 I N -2.170 118.207 120.570 -0.321 0.000 3.904 387 I HA 0.358 4.529 4.170 0.001 0.000 0.333 387 I C -0.133 175.848 176.117 -0.227 0.000 1.361 387 I CA -0.343 60.765 61.300 -0.320 0.000 1.116 387 I CB 0.287 38.059 38.000 -0.381 0.000 1.028 387 I HN -0.112 nan 8.210 nan 0.000 0.398 388 E N 3.848 123.935 120.200 -0.189 0.000 2.223 388 E HA 0.283 4.634 4.350 0.001 0.000 0.282 388 E C -2.190 174.318 176.600 -0.154 0.000 1.046 388 E CA -1.963 54.343 56.400 -0.155 0.000 0.857 388 E CB 0.370 29.995 29.700 -0.125 0.000 1.055 388 E HN 0.121 nan 8.360 nan 0.000 0.409 389 P HA -0.092 nan 4.420 nan 0.000 0.266 389 P C -0.284 176.955 177.300 -0.102 0.000 1.193 389 P CA 0.426 63.453 63.100 -0.122 0.000 0.770 389 P CB 0.700 32.347 31.700 -0.088 0.000 0.836 390 A N 2.143 124.919 122.820 -0.075 0.000 2.701 390 A HA 0.191 4.512 4.320 0.001 0.000 0.241 390 A C -0.082 177.500 177.584 -0.004 0.000 1.231 390 A CA -0.083 51.918 52.037 -0.060 0.000 1.003 390 A CB -0.388 18.573 19.000 -0.065 0.000 1.281 390 A HN 0.465 nan 8.150 nan 0.000 0.600 391 F N 1.560 121.463 119.950 -0.078 0.000 2.427 391 F HA 0.577 5.105 4.527 0.001 0.000 0.352 391 F C -0.615 175.116 175.800 -0.114 0.000 1.100 391 F CA -0.518 57.458 58.000 -0.040 0.000 1.191 391 F CB 0.797 39.838 39.000 0.067 0.000 1.128 391 F HN 0.074 nan 8.300 nan 0.000 0.533 392 D N 8.207 127.931 120.400 -1.127 0.000 2.470 392 D HA 0.267 4.907 4.640 0.001 0.000 0.233 392 D C -2.106 173.575 176.300 -1.033 0.000 1.372 392 D CA -1.919 51.522 54.000 -0.932 0.000 0.994 392 D CB 1.871 42.367 40.800 -0.507 0.000 1.377 392 D HN 0.202 nan 8.370 nan 0.000 0.586 393 P HA -0.133 nan 4.420 nan 0.000 0.221 393 P C 1.357 178.360 177.300 -0.495 0.000 1.141 393 P CA 0.807 63.384 63.100 -0.872 0.000 0.794 393 P CB 0.438 31.831 31.700 -0.511 0.000 0.764 394 L N -1.199 119.786 121.223 -0.396 0.000 2.341 394 L HA 0.053 4.393 4.340 0.001 0.000 0.214 394 L C 2.125 178.846 176.870 -0.249 0.000 1.115 394 L CA 1.029 55.715 54.840 -0.257 0.000 0.820 394 L CB -0.643 41.288 42.059 -0.213 0.000 0.944 394 L HN -0.136 nan 8.230 nan 0.000 0.452 395 K N 0.743 120.942 120.400 -0.335 0.000 2.458 395 K HA 0.235 4.555 4.320 0.001 0.000 0.194 395 K C 0.698 177.240 176.600 -0.095 0.000 1.024 395 K CA -0.203 55.900 56.287 -0.307 0.000 1.108 395 K CB 0.312 32.443 32.500 -0.616 0.000 0.846 395 K HN 0.165 nan 8.250 nan 0.000 0.518 396 A N 1.493 124.210 122.820 -0.172 0.000 2.450 396 A HA 0.286 4.606 4.320 0.001 0.000 0.255 396 A C -0.299 177.239 177.584 -0.075 0.000 1.096 396 A CA -0.080 51.896 52.037 -0.102 0.000 0.778 396 A CB 0.277 19.164 19.000 -0.188 0.000 1.031 396 A HN 0.086 nan 8.150 nan 0.000 0.494 397 R N 1.369 121.799 120.500 -0.117 0.000 2.393 397 R HA 0.545 4.885 4.340 0.001 0.000 0.315 397 R C -1.172 174.788 176.300 -0.566 0.000 0.952 397 R CA -0.613 55.291 56.100 -0.327 0.000 0.842 397 R CB 1.530 31.617 30.300 -0.355 0.000 1.163 397 R HN 0.407 nan 8.270 nan 0.000 0.450 398 V N 5.479 125.074 119.914 -0.533 0.000 2.370 398 V HA 0.393 4.513 4.120 0.001 0.000 0.283 398 V C -1.039 174.722 176.094 -0.555 0.000 1.023 398 V CA -0.661 61.362 62.300 -0.462 0.000 0.857 398 V CB 0.982 32.684 31.823 -0.201 0.000 0.985 398 V HN 0.568 nan 8.190 nan 0.000 0.443 399 Y N 3.477 123.640 120.300 -0.228 0.000 2.331 399 Y HA 0.509 5.060 4.550 0.001 0.000 0.338 399 Y C 0.532 176.012 175.900 -0.700 0.000 0.976 399 Y CA -1.404 56.452 58.100 -0.405 0.000 1.137 399 Y CB 1.403 39.553 38.460 -0.517 0.000 1.172 399 Y HN 0.843 nan 8.280 nan 0.000 0.478 400 D N -1.362 118.916 120.400 -0.202 0.000 2.475 400 D HA -0.010 4.630 4.640 0.001 0.000 0.306 400 D C 0.172 176.639 176.300 0.279 0.000 1.304 400 D CA -0.043 53.962 54.000 0.008 0.000 0.862 400 D CB -0.051 40.785 40.800 0.061 0.000 1.306 400 D HN 0.220 nan 8.370 nan 0.000 0.494 401 S N 0.637 116.477 115.700 0.233 0.000 4.069 401 S HA 0.162 4.633 4.470 0.001 0.000 0.192 401 S C 1.555 175.931 174.600 -0.373 0.000 1.441 401 S CA 0.341 58.411 58.200 -0.217 0.000 0.994 401 S CB -0.754 62.130 63.200 -0.526 0.000 1.456 401 S HN 0.372 nan 8.310 nan 0.000 0.458 402 S N 3.302 119.028 115.700 0.043 0.000 2.368 402 S HA -0.132 4.339 4.470 0.001 0.000 0.225 402 S C 2.014 176.515 174.600 -0.164 0.000 1.030 402 S CA 0.747 58.959 58.200 0.019 0.000 0.999 402 S CB -0.880 62.369 63.200 0.080 0.000 0.844 402 S HN 0.955 nan 8.310 nan 0.000 0.459 403 W N 2.318 123.580 121.300 -0.063 0.000 2.325 403 W HA -0.139 4.522 4.660 0.001 0.000 0.299 403 W C 1.961 178.379 176.519 -0.169 0.000 1.215 403 W CA 1.073 58.362 57.345 -0.092 0.000 1.244 403 W CB -1.223 28.186 29.460 -0.084 0.000 1.140 403 W HN 0.445 nan 8.180 nan 0.000 0.523 404 N N 0.546 118.639 118.700 -1.012 0.000 2.197 404 N HA -0.131 4.609 4.740 0.001 0.000 0.184 404 N C 1.697 176.869 175.510 -0.564 0.000 1.030 404 N CA 1.467 53.929 53.050 -0.981 0.000 0.851 404 N CB -0.862 36.506 38.487 -1.865 0.000 1.003 404 N HN 0.233 nan 8.380 nan 0.000 0.430 405 W N 1.804 122.937 121.300 -0.278 0.000 2.387 405 W HA -0.063 4.598 4.660 0.001 0.000 0.272 405 W C 2.458 178.916 176.519 -0.100 0.000 1.224 405 W CA 0.236 57.481 57.345 -0.167 0.000 1.210 405 W CB -0.141 29.218 29.460 -0.168 0.000 1.125 405 W HN 0.171 nan 8.180 nan 0.000 0.572 406 A N 1.739 124.603 122.820 0.073 0.000 1.828 406 A HA -0.227 4.093 4.320 0.001 0.000 0.215 406 A C 1.915 179.567 177.584 0.112 0.000 1.203 406 A CA 1.936 54.024 52.037 0.085 0.000 0.614 406 A CB -1.028 18.021 19.000 0.081 0.000 0.844 406 A HN 0.299 nan 8.150 nan 0.000 0.445 407 R N -0.299 120.236 120.500 0.058 0.000 2.185 407 R HA -0.227 4.114 4.340 0.001 0.000 0.247 407 R C 2.426 178.821 176.300 0.157 0.000 1.159 407 R CA 1.728 57.854 56.100 0.043 0.000 0.988 407 R CB -0.405 29.566 30.300 -0.548 0.000 0.871 407 R HN 0.842 nan 8.270 nan 0.000 0.458 408 Q N 1.175 121.033 119.800 0.096 0.000 1.994 408 Q HA -0.160 4.181 4.340 0.001 0.000 0.198 408 Q C 1.021 177.115 176.000 0.157 0.000 0.976 408 Q CA 1.871 57.761 55.803 0.145 0.000 0.828 408 Q CB 0.070 28.928 28.738 0.200 0.000 0.894 408 Q HN 0.207 nan 8.270 nan 0.000 0.432 409 D N 0.418 120.901 120.400 0.138 0.000 2.263 409 D HA -0.089 4.551 4.640 0.001 0.000 0.208 409 D C 1.480 177.850 176.300 0.116 0.000 0.971 409 D CA 1.102 55.161 54.000 0.099 0.000 0.867 409 D CB -0.045 40.796 40.800 0.067 0.000 0.929 409 D HN 0.441 nan 8.370 nan 0.000 0.492 410 A N 0.575 123.489 122.820 0.158 0.000 1.821 410 A HA -0.097 4.223 4.320 0.001 0.000 0.215 410 A C 2.108 179.789 177.584 0.161 0.000 1.214 410 A CA 0.925 53.064 52.037 0.169 0.000 0.608 410 A CB -1.141 18.010 19.000 0.251 0.000 0.862 410 A HN 0.285 nan 8.150 nan 0.000 0.448 411 L N -0.180 121.164 121.223 0.201 0.000 2.189 411 L HA -0.198 4.143 4.340 0.001 0.000 0.214 411 L C 2.647 179.669 176.870 0.253 0.000 1.097 411 L CA 2.037 56.946 54.840 0.115 0.000 0.764 411 L CB -0.189 41.975 42.059 0.176 0.000 0.900 411 L HN 0.478 nan 8.230 nan 0.000 0.436 412 S N -0.621 115.206 115.700 0.211 0.000 2.355 412 S HA -0.273 4.197 4.470 0.001 0.000 0.222 412 S C 2.048 176.769 174.600 0.202 0.000 1.031 412 S CA 1.694 60.008 58.200 0.190 0.000 0.993 412 S CB -0.264 62.999 63.200 0.105 0.000 0.859 412 S HN 0.581 nan 8.310 nan 0.000 0.453 413 M N -0.244 119.450 119.600 0.156 0.000 2.117 413 M HA -0.101 4.379 4.480 0.001 0.000 0.262 413 M C 1.871 178.254 176.300 0.139 0.000 1.065 413 M CA 1.829 57.200 55.300 0.118 0.000 1.114 413 M CB -0.480 32.165 32.600 0.075 0.000 1.361 413 M HN 0.605 nan 8.290 nan 0.000 0.408 414 Y N 0.289 120.587 120.300 -0.003 0.000 2.014 414 Y HA -0.404 4.147 4.550 0.001 0.000 0.272 414 Y C 1.781 177.610 175.900 -0.117 0.000 1.164 414 Y CA 2.531 60.563 58.100 -0.114 0.000 1.114 414 Y CB -0.744 37.578 38.460 -0.230 0.000 0.961 414 Y HN 0.271 nan 8.280 nan 0.000 0.489 415 Y N 0.508 121.103 120.300 0.491 0.000 2.274 415 Y HA -0.243 4.307 4.550 0.001 0.000 0.290 415 Y C 2.372 178.483 175.900 0.352 0.000 1.145 415 Y CA 1.337 59.709 58.100 0.454 0.000 1.203 415 Y CB -0.553 38.153 38.460 0.411 0.000 0.984 415 Y HN 0.232 nan 8.280 nan 0.000 0.533 416 D N 0.321 120.917 120.400 0.326 0.000 2.133 416 D HA -0.208 4.432 4.640 0.001 0.000 0.195 416 D C 2.145 178.528 176.300 0.137 0.000 0.997 416 D CA 1.463 55.578 54.000 0.192 0.000 0.840 416 D CB -0.337 40.524 40.800 0.102 0.000 0.947 416 D HN 0.337 nan 8.370 nan 0.000 0.452 417 I N 0.694 121.285 120.570 0.034 0.000 2.202 417 I HA -0.206 3.965 4.170 0.001 0.000 0.242 417 I C 2.301 178.341 176.117 -0.129 0.000 1.091 417 I CA 0.612 61.870 61.300 -0.070 0.000 1.368 417 I CB -0.061 37.839 38.000 -0.167 0.000 1.058 417 I HN -0.030 nan 8.210 nan 0.000 0.410 418 I N -0.136 120.289 120.570 -0.241 0.000 2.657 418 I HA -0.281 3.889 4.170 0.001 0.000 0.261 418 I C 1.556 177.376 176.117 -0.493 0.000 1.212 418 I CA 1.662 62.647 61.300 -0.526 0.000 1.453 418 I CB -0.310 37.215 38.000 -0.791 0.000 1.092 418 I HN 0.196 nan 8.210 nan 0.000 0.452 419 F N -0.205 119.706 119.950 -0.065 0.000 2.706 419 F HA 0.323 4.851 4.527 0.001 0.000 0.308 419 F C 1.774 177.566 175.800 -0.014 0.000 1.095 419 F CA 0.508 58.502 58.000 -0.009 0.000 1.244 419 F CB 0.422 39.441 39.000 0.032 0.000 1.063 419 F HN 0.094 nan 8.300 nan 0.000 0.582 420 G N 0.766 109.630 108.800 0.106 0.000 2.143 420 G HA2 -0.340 3.621 3.960 0.001 0.000 0.249 420 G HA3 -0.340 3.621 3.960 0.001 0.000 0.249 420 G C 1.285 176.219 174.900 0.058 0.000 0.981 420 G CA 0.447 45.578 45.100 0.052 0.000 0.665 420 G HN 0.335 nan 8.290 nan 0.000 0.528 421 R N -0.785 119.766 120.500 0.085 0.000 2.105 421 R HA 0.108 4.449 4.340 0.001 0.000 0.239 421 R C 1.163 177.477 176.300 0.023 0.000 1.135 421 R CA 0.967 57.094 56.100 0.045 0.000 0.967 421 R CB -0.056 30.268 30.300 0.039 0.000 0.861 421 R HN 0.431 nan 8.270 nan 0.000 0.442 422 L N 1.694 122.931 121.223 0.024 0.000 2.280 422 L HA 0.344 4.685 4.340 0.001 0.000 0.287 422 L C -0.286 176.579 176.870 -0.008 0.000 1.023 422 L CA -0.475 54.367 54.840 0.003 0.000 0.819 422 L CB 1.584 43.643 42.059 -0.001 0.000 1.212 422 L HN 0.082 nan 8.230 nan 0.000 0.420 423 R N 1.854 122.348 120.500 -0.011 0.000 2.540 423 R HA 0.296 4.637 4.340 0.001 0.000 0.287 423 R C 1.037 177.325 176.300 -0.021 0.000 0.980 423 R CA -0.734 55.356 56.100 -0.017 0.000 0.966 423 R CB 2.001 32.294 30.300 -0.012 0.000 1.106 423 R HN 0.415 nan 8.270 nan 0.000 0.480 424 V N 1.395 121.294 119.914 -0.025 0.000 2.453 424 V HA -0.247 3.873 4.120 0.001 0.000 0.252 424 V C 2.170 178.252 176.094 -0.020 0.000 1.068 424 V CA 1.532 63.817 62.300 -0.025 0.000 1.070 424 V CB -0.955 30.852 31.823 -0.027 0.000 0.664 424 V HN 0.611 nan 8.190 nan 0.000 0.461 425 V N -0.031 119.872 119.914 -0.018 0.000 2.221 425 V HA -0.265 3.856 4.120 0.001 0.000 0.244 425 V C 0.871 176.955 176.094 -0.016 0.000 1.043 425 V CA 1.496 63.786 62.300 -0.016 0.000 0.996 425 V CB -1.046 30.767 31.823 -0.016 0.000 0.636 425 V HN 0.544 nan 8.190 nan 0.000 0.454 426 D N 0.893 121.284 120.400 -0.016 0.000 4.262 426 D HA -0.139 4.502 4.640 0.001 0.000 0.186 426 D C 1.376 177.666 176.300 -0.017 0.000 1.090 426 D CA 0.412 54.402 54.000 -0.016 0.000 0.711 426 D CB 0.136 40.927 40.800 -0.015 0.000 1.194 426 D HN 0.181 nan 8.370 nan 0.000 0.627 427 R N 2.698 123.188 120.500 -0.016 0.000 2.154 427 R HA -0.181 4.160 4.340 0.001 0.000 0.248 427 R C 1.704 177.991 176.300 -0.020 0.000 1.155 427 R CA 0.873 56.964 56.100 -0.016 0.000 0.979 427 R CB -0.102 30.191 30.300 -0.012 0.000 0.869 427 R HN 0.553 nan 8.270 nan 0.000 0.452 428 E N 0.642 120.830 120.200 -0.020 0.000 2.095 428 E HA -0.235 4.115 4.350 0.001 0.000 0.212 428 E C 2.081 178.668 176.600 -0.021 0.000 1.044 428 E CA 1.765 58.152 56.400 -0.022 0.000 0.857 428 E CB -0.424 29.264 29.700 -0.021 0.000 0.764 428 E HN 0.391 nan 8.360 nan 0.000 0.462 429 I N 0.641 121.200 120.570 -0.018 0.000 2.151 429 I HA -0.304 3.867 4.170 0.001 0.000 0.243 429 I C 2.550 178.657 176.117 -0.017 0.000 1.080 429 I CA 0.966 62.257 61.300 -0.016 0.000 1.339 429 I CB -0.892 37.097 38.000 -0.018 0.000 1.039 429 I HN -0.055 nan 8.210 nan 0.000 0.409 430 V N 0.952 120.854 119.914 -0.020 0.000 2.215 430 V HA -0.353 3.767 4.120 0.001 0.000 0.249 430 V C 2.638 178.717 176.094 -0.026 0.000 1.054 430 V CA 2.546 64.832 62.300 -0.023 0.000 1.012 430 V CB -1.003 30.804 31.823 -0.027 0.000 0.639 430 V HN 0.418 nan 8.190 nan 0.000 0.448 431 S N -0.656 115.024 115.700 -0.032 0.000 2.389 431 S HA -0.387 4.083 4.470 0.001 0.000 0.229 431 S C 1.962 176.547 174.600 -0.025 0.000 1.048 431 S CA 2.303 60.481 58.200 -0.036 0.000 1.117 431 S CB -0.595 62.582 63.200 -0.039 0.000 1.020 431 S HN 0.669 nan 8.310 nan 0.000 0.430 432 Q N -0.223 119.565 119.800 -0.020 0.000 2.096 432 Q HA -0.200 4.140 4.340 0.001 0.000 0.208 432 Q C 2.590 178.588 176.000 -0.002 0.000 0.993 432 Q CA 1.753 57.550 55.803 -0.011 0.000 0.862 432 Q CB -0.680 28.055 28.738 -0.005 0.000 0.915 432 Q HN 0.595 nan 8.270 nan 0.000 0.416 433 C N 0.433 119.731 119.300 -0.002 0.000 2.413 433 C HA -0.136 4.324 4.460 0.001 0.000 0.277 433 C C 2.610 177.601 174.990 0.003 0.000 1.265 433 C CA 0.508 59.528 59.018 0.004 0.000 1.752 433 C CB -1.029 26.709 27.740 -0.002 0.000 1.998 433 C HN 0.457 nan 8.230 nan 0.000 0.489 434 I N 0.252 120.818 120.570 -0.008 0.000 2.252 434 I HA -0.216 3.954 4.170 0.001 0.000 0.245 434 I C 2.543 178.659 176.117 -0.002 0.000 1.102 434 I CA 1.466 62.761 61.300 -0.009 0.000 1.385 434 I CB -0.727 37.259 38.000 -0.023 0.000 1.064 434 I HN 0.304 nan 8.210 nan 0.000 0.414 435 Q N 0.917 120.715 119.800 -0.004 0.000 2.172 435 Q HA -0.033 4.308 4.340 0.001 0.000 0.200 435 Q C 2.226 178.231 176.000 0.008 0.000 0.964 435 Q CA 1.237 57.037 55.803 -0.005 0.000 0.855 435 Q CB -0.064 28.661 28.738 -0.022 0.000 0.918 435 Q HN 0.531 nan 8.270 nan 0.000 0.444 436 I N -0.362 120.219 120.570 0.019 0.000 2.315 436 I HA -0.267 3.903 4.170 0.001 0.000 0.248 436 I C 2.024 178.165 176.117 0.040 0.000 1.117 436 I CA 0.968 62.292 61.300 0.040 0.000 1.404 436 I CB -0.285 37.746 38.000 0.051 0.000 1.071 436 I HN 0.294 nan 8.210 nan 0.000 0.419 437 M N 0.193 119.809 119.600 0.027 0.000 2.132 437 M HA -0.166 4.315 4.480 0.001 0.000 0.263 437 M C 1.975 178.290 176.300 0.025 0.000 1.065 437 M CA 1.525 56.840 55.300 0.025 0.000 1.122 437 M CB -0.722 31.886 32.600 0.014 0.000 1.365 437 M HN 0.271 nan 8.290 nan 0.000 0.411 438 N N 1.268 119.979 118.700 0.019 0.000 2.149 438 N HA -0.101 4.640 4.740 0.001 0.000 0.188 438 N C 0.326 175.852 175.510 0.027 0.000 1.019 438 N CA 1.058 54.120 53.050 0.019 0.000 0.857 438 N CB -0.182 38.312 38.487 0.012 0.000 0.997 438 N HN 0.415 nan 8.380 nan 0.000 0.426 439 R N 0.469 120.988 120.500 0.032 0.000 3.171 439 R HA 0.335 4.676 4.340 0.001 0.000 0.241 439 R C -0.572 175.766 176.300 0.063 0.000 1.421 439 R CA -0.101 56.029 56.100 0.050 0.000 1.444 439 R CB 0.433 30.763 30.300 0.050 0.000 1.247 439 R HN -0.170 nan 8.270 nan 0.000 0.636 440 S N 2.734 118.467 115.700 0.056 0.000 2.461 440 S HA 0.282 4.753 4.470 0.001 0.000 0.322 440 S C -0.341 174.293 174.600 0.057 0.000 1.063 440 S CA -0.878 57.357 58.200 0.057 0.000 1.120 440 S CB 0.312 63.538 63.200 0.044 0.000 0.968 440 S HN 0.452 nan 8.310 nan 0.000 0.467 441 N N 3.841 122.581 118.700 0.067 0.000 2.485 441 N HA 0.393 5.133 4.740 0.001 0.000 0.280 441 N C -2.131 173.407 175.510 0.045 0.000 1.205 441 N CA -1.835 51.246 53.050 0.052 0.000 0.959 441 N CB 0.084 38.604 38.487 0.055 0.000 1.206 441 N HN 0.135 nan 8.380 nan 0.000 0.545 442 P HA -0.002 nan 4.420 nan 0.000 0.215 442 P C 1.308 178.630 177.300 0.037 0.000 1.157 442 P CA 1.035 64.151 63.100 0.026 0.000 0.859 442 P CB 0.157 31.862 31.700 0.007 0.000 0.786 443 L N -1.213 120.022 121.223 0.020 0.000 2.187 443 L HA -0.131 4.210 4.340 0.001 0.000 0.213 443 L C 2.575 179.496 176.870 0.086 0.000 1.100 443 L CA 1.366 56.218 54.840 0.020 0.000 0.765 443 L CB -1.545 40.493 42.059 -0.034 0.000 0.904 443 L HN -0.057 nan 8.230 nan 0.000 0.437 444 L N -0.543 120.743 121.223 0.105 0.000 2.027 444 L HA -0.199 4.142 4.340 0.001 0.000 0.206 444 L C 2.505 179.493 176.870 0.197 0.000 1.074 444 L CA 1.570 56.513 54.840 0.171 0.000 0.745 444 L CB -0.116 42.029 42.059 0.142 0.000 0.898 444 L HN 0.293 nan 8.230 nan 0.000 0.433 445 L N -0.248 121.053 121.223 0.129 0.000 1.989 445 L HA -0.280 4.060 4.340 0.001 0.000 0.211 445 L C 2.557 179.504 176.870 0.128 0.000 1.071 445 L CA 1.617 56.524 54.840 0.112 0.000 0.749 445 L CB -0.705 41.399 42.059 0.075 0.000 0.890 445 L HN 0.309 nan 8.230 nan 0.000 0.431 446 E N -0.345 119.928 120.200 0.122 0.000 2.086 446 E HA -0.297 4.053 4.350 0.001 0.000 0.200 446 E C 2.057 178.776 176.600 0.199 0.000 1.012 446 E CA 1.921 58.397 56.400 0.128 0.000 0.812 446 E CB -0.316 29.432 29.700 0.080 0.000 0.743 446 E HN 0.387 nan 8.360 nan 0.000 0.453 447 F N 1.375 121.376 119.950 0.085 0.000 2.113 447 F HA -0.197 4.331 4.527 0.001 0.000 0.297 447 F C 2.294 178.241 175.800 0.244 0.000 1.103 447 F CA 1.313 59.405 58.000 0.154 0.000 1.248 447 F CB -0.202 38.853 39.000 0.092 0.000 0.999 447 F HN -0.082 nan 8.300 nan 0.000 0.475 448 M N -0.055 119.616 119.600 0.118 0.000 2.151 448 M HA -0.319 4.162 4.480 0.001 0.000 0.256 448 M C 2.268 178.599 176.300 0.052 0.000 1.072 448 M CA 2.180 57.503 55.300 0.037 0.000 1.090 448 M CB -1.363 31.296 32.600 0.099 0.000 1.294 448 M HN 0.277 nan 8.290 nan 0.000 0.415 449 Q N -0.242 119.616 119.800 0.095 0.000 1.921 449 Q HA -0.209 4.131 4.340 0.001 0.000 0.208 449 Q C 1.943 178.013 176.000 0.117 0.000 0.994 449 Q CA 2.261 58.123 55.803 0.097 0.000 0.857 449 Q CB -1.043 27.754 28.738 0.099 0.000 0.925 449 Q HN 0.493 nan 8.270 nan 0.000 0.421 450 Y N 0.245 120.546 120.300 0.002 0.000 2.062 450 Y HA -0.403 4.147 4.550 0.001 0.000 0.273 450 Y C 2.267 178.095 175.900 -0.120 0.000 1.206 450 Y CA 2.548 60.609 58.100 -0.065 0.000 1.125 450 Y CB -0.417 37.920 38.460 -0.204 0.000 0.951 450 Y HN 0.426 nan 8.280 nan 0.000 0.501 451 H N -0.878 118.251 119.070 0.098 0.000 2.421 451 H HA -0.170 4.387 4.556 0.001 0.000 0.298 451 H C 2.328 177.692 175.328 0.060 0.000 1.087 451 H CA 1.578 57.602 56.048 -0.039 0.000 1.330 451 H CB 0.029 29.584 29.762 -0.345 0.000 1.388 451 H HN 0.367 nan 8.280 nan 0.000 0.526 452 I N 1.342 122.019 120.570 0.178 0.000 2.133 452 I HA -0.204 3.967 4.170 0.001 0.000 0.238 452 I C 1.821 177.979 176.117 0.068 0.000 1.074 452 I CA 1.132 62.520 61.300 0.146 0.000 1.342 452 I CB -0.875 37.176 38.000 0.085 0.000 1.053 452 I HN 0.102 nan 8.210 nan 0.000 0.404 453 D N -0.027 120.388 120.400 0.025 0.000 2.220 453 D HA -0.222 4.419 4.640 0.001 0.000 0.198 453 D C 1.784 177.998 176.300 -0.142 0.000 1.001 453 D CA 1.438 55.411 54.000 -0.045 0.000 0.875 453 D CB -0.309 40.478 40.800 -0.022 0.000 0.921 453 D HN 0.540 nan 8.370 nan 0.000 0.454 454 H N -1.467 117.452 119.070 -0.251 0.000 2.542 454 H HA 0.196 4.752 4.556 0.001 0.000 0.283 454 H C 0.286 175.583 175.328 -0.052 0.000 1.059 454 H CA -0.582 55.336 56.048 -0.217 0.000 1.162 454 H CB 0.143 29.660 29.762 -0.409 0.000 1.539 454 H HN 0.077 nan 8.280 nan 0.000 0.543 455 C N 4.295 123.671 119.300 0.127 0.000 2.592 455 C HA 0.040 4.501 4.460 0.001 0.000 0.408 455 C C -1.697 173.362 174.990 0.115 0.000 1.436 455 C CA -1.047 58.090 59.018 0.199 0.000 1.595 455 C CB -0.309 27.523 27.740 0.154 0.000 2.487 455 C HN 0.256 nan 8.230 nan 0.000 0.610 456 P HA 0.107 nan 4.420 nan 0.000 0.241 456 P C 1.077 178.281 177.300 -0.159 0.000 1.760 456 P CA 0.267 63.322 63.100 -0.074 0.000 1.081 456 P CB -0.110 31.471 31.700 -0.198 0.000 1.975 457 T N -1.328 113.199 114.554 -0.044 0.000 2.803 457 T HA -0.234 4.116 4.350 0.001 0.000 0.269 457 T C 1.384 176.034 174.700 -0.085 0.000 1.052 457 T CA 1.095 63.184 62.100 -0.019 0.000 1.136 457 T CB -0.542 68.315 68.868 -0.018 0.000 0.864 457 T HN 0.342 nan 8.240 nan 0.000 0.467 458 E N 1.770 121.894 120.200 -0.127 0.000 2.515 458 E HA -0.101 4.250 4.350 0.001 0.000 0.201 458 E C 1.815 178.311 176.600 -0.173 0.000 1.071 458 E CA 0.394 56.719 56.400 -0.125 0.000 0.880 458 E CB -0.334 29.298 29.700 -0.112 0.000 0.828 458 E HN 0.570 nan 8.360 nan 0.000 0.540 459 R N 0.298 120.621 120.500 -0.296 0.000 2.156 459 R HA 0.234 4.575 4.340 0.001 0.000 0.207 459 R C 0.950 177.145 176.300 -0.175 0.000 1.040 459 R CA 0.903 56.782 56.100 -0.368 0.000 1.013 459 R CB 0.589 30.370 30.300 -0.864 0.000 0.931 459 R HN 0.231 nan 8.270 nan 0.000 0.465 460 G N -0.579 108.189 108.800 -0.053 0.000 2.451 460 G HA2 0.061 4.022 3.960 0.001 0.000 0.292 460 G HA3 0.061 4.022 3.960 0.001 0.000 0.292 460 G C -0.484 174.466 174.900 0.083 0.000 1.427 460 G CA -0.691 44.446 45.100 0.061 0.000 0.792 460 G HN -0.043 nan 8.290 nan 0.000 0.498 461 E N -0.464 119.760 120.200 0.041 0.000 2.017 461 E HA -0.175 4.176 4.350 0.001 0.000 0.193 461 E C 2.805 179.404 176.600 -0.002 0.000 0.997 461 E CA 2.279 58.685 56.400 0.012 0.000 0.804 461 E CB -0.380 29.317 29.700 -0.005 0.000 0.757 461 E HN 0.662 nan 8.360 nan 0.000 0.448 462 T N -0.031 114.507 114.554 -0.027 0.000 2.624 462 T HA -0.322 4.029 4.350 0.001 0.000 0.266 462 T C 1.883 176.473 174.700 -0.182 0.000 1.050 462 T CA 1.932 63.959 62.100 -0.121 0.000 1.163 462 T CB -1.057 67.695 68.868 -0.193 0.000 0.861 462 T HN 0.176 nan 8.240 nan 0.000 0.443 463 Y N 1.897 122.102 120.300 -0.159 0.000 2.128 463 Y HA -0.109 4.442 4.550 0.001 0.000 0.284 463 Y C 3.145 178.950 175.900 -0.158 0.000 1.154 463 Y CA 1.686 59.680 58.100 -0.177 0.000 1.149 463 Y CB -0.695 37.689 38.460 -0.126 0.000 0.976 463 Y HN 0.244 nan 8.280 nan 0.000 0.505 464 Q N 0.267 120.096 119.800 0.049 0.000 1.967 464 Q HA -0.198 4.143 4.340 0.001 0.000 0.202 464 Q C 2.210 178.178 176.000 -0.053 0.000 0.985 464 Q CA 1.660 57.458 55.803 -0.008 0.000 0.839 464 Q CB -0.856 27.877 28.738 -0.008 0.000 0.906 464 Q HN 0.406 nan 8.270 nan 0.000 0.423 465 L N 0.335 121.520 121.223 -0.063 0.000 2.103 465 L HA -0.231 4.110 4.340 0.001 0.000 0.215 465 L C 1.957 178.755 176.870 -0.121 0.000 1.080 465 L CA 2.543 57.334 54.840 -0.081 0.000 0.764 465 L CB -1.424 40.587 42.059 -0.080 0.000 0.890 465 L HN 0.315 nan 8.230 nan 0.000 0.435 466 A N -0.439 122.267 122.820 -0.189 0.000 1.832 466 A HA -0.267 4.053 4.320 0.001 0.000 0.214 466 A C 2.441 179.898 177.584 -0.211 0.000 1.200 466 A CA 1.887 53.752 52.037 -0.286 0.000 0.610 466 A CB -0.786 17.890 19.000 -0.541 0.000 0.842 466 A HN 0.490 nan 8.150 nan 0.000 0.444 467 K N -0.090 120.209 120.400 -0.168 0.000 2.173 467 K HA -0.232 4.089 4.320 0.001 0.000 0.207 467 K C 1.869 178.434 176.600 -0.060 0.000 1.046 467 K CA 1.868 58.103 56.287 -0.087 0.000 0.929 467 K CB -0.168 32.307 32.500 -0.043 0.000 0.720 467 K HN 0.677 nan 8.250 nan 0.000 0.453 468 E N 0.456 120.618 120.200 -0.063 0.000 1.998 468 E HA -0.197 4.154 4.350 0.001 0.000 0.196 468 E C 2.099 178.673 176.600 -0.043 0.000 1.003 468 E CA 1.495 57.867 56.400 -0.046 0.000 0.829 468 E CB -0.231 29.442 29.700 -0.044 0.000 0.777 468 E HN 0.255 nan 8.360 nan 0.000 0.460 469 L N 0.854 122.044 121.223 -0.055 0.000 2.129 469 L HA -0.192 4.148 4.340 0.001 0.000 0.212 469 L C 2.427 179.275 176.870 -0.037 0.000 1.087 469 L CA 1.207 56.020 54.840 -0.046 0.000 0.757 469 L CB -0.677 41.348 42.059 -0.057 0.000 0.896 469 L HN 0.277 nan 8.230 nan 0.000 0.434 470 G N -0.974 107.797 108.800 -0.049 0.000 2.552 470 G HA2 -0.367 3.594 3.960 0.001 0.000 0.216 470 G HA3 -0.367 3.594 3.960 0.001 0.000 0.216 470 G C 1.418 176.318 174.900 0.001 0.000 1.240 470 G CA 0.772 45.859 45.100 -0.020 0.000 0.796 470 G HN 0.268 nan 8.290 nan 0.000 0.568 471 Q N -0.032 119.766 119.800 -0.004 0.000 2.197 471 Q HA -0.145 4.196 4.340 0.001 0.000 0.207 471 Q C 2.489 178.490 176.000 0.002 0.000 0.984 471 Q CA 2.167 57.971 55.803 0.003 0.000 0.869 471 Q CB -0.494 28.242 28.738 -0.004 0.000 0.906 471 Q HN 0.603 nan 8.270 nan 0.000 0.426 472 Q N -0.157 119.640 119.800 -0.006 0.000 1.985 472 Q HA -0.195 4.145 4.340 0.001 0.000 0.207 472 Q C 1.913 177.914 176.000 0.002 0.000 0.996 472 Q CA 2.131 57.930 55.803 -0.006 0.000 0.851 472 Q CB -0.871 27.859 28.738 -0.013 0.000 0.921 472 Q HN 0.481 nan 8.270 nan 0.000 0.418 473 L N -0.032 121.193 121.223 0.004 0.000 2.043 473 L HA -0.164 4.176 4.340 0.001 0.000 0.212 473 L C 2.225 179.108 176.870 0.022 0.000 1.075 473 L CA 1.836 56.683 54.840 0.012 0.000 0.752 473 L CB -0.460 41.609 42.059 0.017 0.000 0.891 473 L HN 0.487 nan 8.230 nan 0.000 0.432 474 I N -0.770 119.816 120.570 0.026 0.000 2.335 474 I HA -0.246 3.924 4.170 0.001 0.000 0.251 474 I C 2.348 178.481 176.117 0.028 0.000 1.129 474 I CA 0.906 62.227 61.300 0.034 0.000 1.402 474 I CB -0.554 37.468 38.000 0.037 0.000 1.069 474 I HN 0.340 nan 8.210 nan 0.000 0.424 475 E N 1.039 121.250 120.200 0.018 0.000 2.028 475 E HA -0.131 4.220 4.350 0.001 0.000 0.190 475 E C 1.920 178.528 176.600 0.014 0.000 0.984 475 E CA 0.998 57.406 56.400 0.014 0.000 0.800 475 E CB -0.515 29.190 29.700 0.008 0.000 0.758 475 E HN 0.505 nan 8.360 nan 0.000 0.448 476 N N 1.129 119.836 118.700 0.012 0.000 2.036 476 N HA -0.171 4.570 4.740 0.001 0.000 0.195 476 N C 2.108 177.627 175.510 0.015 0.000 1.037 476 N CA 1.493 54.549 53.050 0.010 0.000 0.855 476 N CB -1.135 37.357 38.487 0.007 0.000 1.033 476 N HN 0.177 nan 8.380 nan 0.000 0.423 477 C N 1.188 120.502 119.300 0.022 0.000 2.403 477 C HA -0.098 4.363 4.460 0.001 0.000 0.279 477 C C 2.434 177.441 174.990 0.028 0.000 1.269 477 C CA 0.465 59.500 59.018 0.030 0.000 1.774 477 C CB -0.893 26.872 27.740 0.043 0.000 1.993 477 C HN 0.495 nan 8.230 nan 0.000 0.496 478 K N 0.785 121.200 120.400 0.025 0.000 2.148 478 K HA -0.139 4.182 4.320 0.001 0.000 0.204 478 K C 1.846 178.456 176.600 0.017 0.000 1.050 478 K CA 1.500 57.801 56.287 0.022 0.000 0.942 478 K CB -0.215 32.297 32.500 0.021 0.000 0.724 478 K HN 0.750 nan 8.250 nan 0.000 0.446 479 E N 0.650 120.858 120.200 0.013 0.000 2.479 479 E HA -0.036 4.314 4.350 0.001 0.000 0.193 479 E C 1.043 177.648 176.600 0.009 0.000 1.049 479 E CA 0.448 56.853 56.400 0.009 0.000 0.870 479 E CB 0.366 30.070 29.700 0.006 0.000 0.944 479 E HN 0.162 nan 8.360 nan 0.000 0.492 480 V N -1.487 118.434 119.914 0.012 0.000 3.253 480 V HA 0.321 4.442 4.120 0.001 0.000 0.320 480 V C 0.408 176.511 176.094 0.015 0.000 1.442 480 V CA -0.633 61.674 62.300 0.011 0.000 1.097 480 V CB -0.524 31.305 31.823 0.010 0.000 1.008 480 V HN 0.076 nan 8.190 nan 0.000 0.463 481 L N 2.320 123.553 121.223 0.017 0.000 2.490 481 L HA 0.513 4.853 4.340 0.001 0.000 0.274 481 L C 1.770 178.649 176.870 0.014 0.000 1.201 481 L CA 1.295 56.147 54.840 0.019 0.000 0.869 481 L CB 0.054 42.124 42.059 0.019 0.000 1.123 481 L HN 0.523 nan 8.230 nan 0.000 0.484 482 G N 2.156 110.965 108.800 0.015 0.000 2.507 482 G HA2 -0.319 3.641 3.960 0.001 0.000 0.240 482 G HA3 -0.319 3.641 3.960 0.001 0.000 0.240 482 G C 0.489 175.394 174.900 0.009 0.000 1.119 482 G CA 0.013 45.120 45.100 0.011 0.000 0.664 482 G HN 0.588 nan 8.290 nan 0.000 0.516 483 K N 2.307 122.712 120.400 0.008 0.000 2.402 483 K HA 0.328 4.649 4.320 0.001 0.000 0.285 483 K C -2.191 174.412 176.600 0.005 0.000 1.054 483 K CA -1.234 55.055 56.287 0.004 0.000 1.001 483 K CB 0.487 32.989 32.500 0.003 0.000 0.946 483 K HN 0.151 nan 8.250 nan 0.000 0.473 484 P HA -0.112 nan 4.420 nan 0.000 0.264 484 P C -2.400 174.901 177.300 0.002 0.000 1.156 484 P CA -0.409 62.692 63.100 0.001 0.000 0.756 484 P CB -0.168 31.526 31.700 -0.009 0.000 0.764 485 P HA 0.263 nan 4.420 nan 0.000 0.276 485 P C -0.745 176.563 177.300 0.012 0.000 1.252 485 P CA -0.037 63.073 63.100 0.016 0.000 0.802 485 P CB 0.709 32.427 31.700 0.030 0.000 1.035 486 V N 1.210 121.135 119.914 0.018 0.000 2.808 486 V HA 0.215 4.335 4.120 0.001 0.000 0.308 486 V C -1.258 174.881 176.094 0.074 0.000 1.099 486 V CA -0.763 61.545 62.300 0.014 0.000 0.920 486 V CB 1.924 33.731 31.823 -0.027 0.000 1.014 486 V HN 0.409 nan 8.190 nan 0.000 0.425 487 Y N 5.474 125.758 120.300 -0.027 0.000 2.531 487 Y HA 0.496 5.046 4.550 0.001 0.000 0.347 487 Y C -0.022 175.870 175.900 -0.014 0.000 1.024 487 Y CA -0.278 57.828 58.100 0.010 0.000 1.306 487 Y CB 0.319 38.838 38.460 0.098 0.000 1.149 487 Y HN 0.579 nan 8.280 nan 0.000 0.527 488 K N 5.936 126.136 120.400 -0.333 0.000 2.613 488 K HA 0.150 4.471 4.320 0.001 0.000 0.248 488 K C -1.588 174.709 176.600 -0.505 0.000 0.959 488 K CA -0.630 55.372 56.287 -0.475 0.000 0.855 488 K CB 0.765 33.127 32.500 -0.230 0.000 1.143 488 K HN 0.646 nan 8.250 nan 0.000 0.437 489 D N 4.342 124.258 120.400 -0.806 0.000 2.374 489 D HA 0.076 4.717 4.640 0.001 0.000 0.240 489 D C 0.581 176.486 176.300 -0.659 0.000 1.229 489 D CA -0.079 53.432 54.000 -0.816 0.000 0.895 489 D CB 1.128 41.070 40.800 -1.430 0.000 1.046 489 D HN 0.265 nan 8.370 nan 0.000 0.498 490 V N 2.584 122.307 119.914 -0.318 0.000 3.596 490 V HA -0.022 4.098 4.120 0.001 0.000 0.289 490 V C 1.310 177.378 176.094 -0.042 0.000 1.336 490 V CA -0.111 62.104 62.300 -0.141 0.000 1.137 490 V CB -0.812 30.956 31.823 -0.092 0.000 0.966 490 V HN 0.521 nan 8.190 nan 0.000 0.428 491 S N 1.323 116.991 115.700 -0.053 0.000 2.580 491 S HA 0.354 4.825 4.470 0.001 0.000 0.266 491 S C -0.038 174.657 174.600 0.157 0.000 1.354 491 S CA -0.320 57.919 58.200 0.064 0.000 1.008 491 S CB 0.344 63.596 63.200 0.088 0.000 0.898 491 S HN 0.347 nan 8.310 nan 0.000 0.555 492 I N 1.069 121.684 120.570 0.074 0.000 2.308 492 I HA 0.295 4.466 4.170 0.001 0.000 0.293 492 I C -2.378 173.729 176.117 -0.016 0.000 1.078 492 I CA -2.234 59.082 61.300 0.026 0.000 1.292 492 I CB -0.356 37.636 38.000 -0.013 0.000 1.423 492 I HN 0.360 nan 8.210 nan 0.000 0.493 493 P HA -0.101 nan 4.420 nan 0.000 0.259 493 P C -0.104 177.102 177.300 -0.157 0.000 1.155 493 P CA 0.593 63.548 63.100 -0.241 0.000 0.759 493 P CB 0.416 31.928 31.700 -0.312 0.000 0.753 494 T N 1.774 116.239 114.554 -0.149 0.000 2.907 494 T HA 0.732 5.082 4.350 0.001 0.000 0.292 494 T C -0.172 174.456 174.700 -0.120 0.000 1.043 494 T CA -0.546 61.486 62.100 -0.113 0.000 1.003 494 T CB 1.106 69.926 68.868 -0.080 0.000 1.084 494 T HN 0.337 nan 8.240 nan 0.000 0.483 495 G N 2.473 111.203 108.800 -0.116 0.000 2.788 495 G HA2 0.797 4.757 3.960 0.001 0.000 0.293 495 G HA3 0.797 4.757 3.960 0.001 0.000 0.293 495 G C -3.147 171.693 174.900 -0.101 0.000 1.305 495 G CA -1.680 43.352 45.100 -0.113 0.000 1.005 495 G HN 0.607 nan 8.290 nan 0.000 0.496 496 P HA 0.330 nan 4.420 nan 0.000 0.294 496 P C -1.170 176.139 177.300 0.015 0.000 1.294 496 P CA -0.422 62.714 63.100 0.059 0.000 0.827 496 P CB 1.757 33.551 31.700 0.155 0.000 0.992 497 Q N 1.686 121.456 119.800 -0.049 0.000 2.709 497 Q HA 0.267 4.608 4.340 0.001 0.000 0.232 497 Q C -1.124 174.926 176.000 0.083 0.000 0.856 497 Q CA -0.335 55.462 55.803 -0.010 0.000 0.788 497 Q CB 1.179 29.864 28.738 -0.088 0.000 1.386 497 Q HN 0.556 nan 8.270 nan 0.000 0.453 498 T N 0.330 115.015 114.554 0.217 0.000 2.856 498 T HA 0.626 4.977 4.350 0.001 0.000 0.292 498 T C 0.176 174.937 174.700 0.101 0.000 0.980 498 T CA -0.277 61.955 62.100 0.221 0.000 1.091 498 T CB 1.528 70.514 68.868 0.196 0.000 0.936 498 T HN 0.502 nan 8.240 nan 0.000 0.503 499 T N 0.794 115.398 114.554 0.084 0.000 2.886 499 T HA 0.615 4.965 4.350 0.001 0.000 0.292 499 T C -0.576 174.152 174.700 0.047 0.000 1.012 499 T CA -1.065 61.064 62.100 0.049 0.000 0.982 499 T CB 0.966 69.852 68.868 0.029 0.000 1.018 499 T HN 0.689 nan 8.240 nan 0.000 0.451 500 I N 3.142 123.734 120.570 0.036 0.000 2.337 500 I HA 0.275 4.446 4.170 0.001 0.000 0.285 500 I C 0.311 176.444 176.117 0.026 0.000 1.041 500 I CA -0.807 60.512 61.300 0.033 0.000 1.199 500 I CB 0.865 38.883 38.000 0.031 0.000 1.370 500 I HN 0.785 nan 8.210 nan 0.000 0.470 501 D N 4.815 125.230 120.400 0.025 0.000 2.474 501 D HA -0.030 4.611 4.640 0.001 0.000 0.232 501 D C 1.280 177.592 176.300 0.020 0.000 1.177 501 D CA 0.448 54.460 54.000 0.021 0.000 0.876 501 D CB 1.304 42.117 40.800 0.022 0.000 1.208 501 D HN 0.641 nan 8.370 nan 0.000 0.464 502 A N 3.784 126.614 122.820 0.017 0.000 2.067 502 A HA -0.124 4.197 4.320 0.001 0.000 0.219 502 A C 2.031 179.626 177.584 0.018 0.000 1.158 502 A CA 0.918 52.965 52.037 0.017 0.000 0.661 502 A CB -0.246 18.763 19.000 0.015 0.000 0.801 502 A HN 0.638 nan 8.150 nan 0.000 0.452 503 R N -1.389 119.123 120.500 0.019 0.000 2.313 503 R HA 0.107 4.448 4.340 0.001 0.000 0.199 503 R C 1.365 177.678 176.300 0.021 0.000 0.958 503 R CA 0.626 56.738 56.100 0.020 0.000 1.047 503 R CB -0.132 30.180 30.300 0.021 0.000 0.955 503 R HN 0.697 nan 8.270 nan 0.000 0.481 504 G N 0.819 109.632 108.800 0.021 0.000 2.195 504 G HA2 -0.240 3.720 3.960 0.001 0.000 0.246 504 G HA3 -0.240 3.720 3.960 0.001 0.000 0.246 504 G C -0.063 174.852 174.900 0.025 0.000 0.984 504 G CA -0.365 44.748 45.100 0.023 0.000 0.633 504 G HN 0.277 nan 8.290 nan 0.000 0.525 505 N N 0.818 119.534 118.700 0.026 0.000 2.411 505 N HA 0.228 4.968 4.740 0.001 0.000 0.261 505 N C 0.386 175.916 175.510 0.034 0.000 1.248 505 N CA 0.627 53.694 53.050 0.029 0.000 0.885 505 N CB 0.404 38.907 38.487 0.027 0.000 1.062 505 N HN 0.427 nan 8.380 nan 0.000 0.471 506 I N 2.588 123.182 120.570 0.039 0.000 2.328 506 I HA 0.128 4.298 4.170 0.001 0.000 0.287 506 I C 0.466 176.621 176.117 0.064 0.000 1.012 506 I CA -0.583 60.747 61.300 0.050 0.000 1.195 506 I CB 0.957 38.985 38.000 0.047 0.000 1.350 506 I HN 0.438 nan 8.210 nan 0.000 0.464 507 Q N 6.554 126.399 119.800 0.075 0.000 2.416 507 Q HA 0.521 4.862 4.340 0.001 0.000 0.279 507 Q C -1.672 174.423 176.000 0.159 0.000 1.101 507 Q CA -0.889 54.971 55.803 0.095 0.000 0.830 507 Q CB 2.708 31.481 28.738 0.057 0.000 1.402 507 Q HN 0.549 nan 8.270 nan 0.000 0.445 508 Y N 0.799 121.107 120.300 0.014 0.000 2.317 508 Y HA 0.357 4.908 4.550 0.001 0.000 0.325 508 Y C -1.360 174.545 175.900 0.008 0.000 1.066 508 Y CA -0.312 57.796 58.100 0.013 0.000 1.203 508 Y CB 1.718 40.192 38.460 0.023 0.000 1.127 508 Y HN 0.818 nan 8.280 nan 0.000 0.451 509 Q N 2.995 122.543 119.800 -0.420 0.000 2.166 509 Q HA 0.461 4.801 4.340 0.001 0.000 0.226 509 Q C -0.897 174.702 176.000 -0.669 0.000 0.989 509 Q CA -1.139 54.415 55.803 -0.415 0.000 0.966 509 Q CB 1.460 30.074 28.738 -0.207 0.000 1.173 509 Q HN 0.573 nan 8.270 nan 0.000 0.509 510 E N 1.166 121.132 120.200 -0.389 0.000 2.207 510 E HA 0.277 4.627 4.350 0.001 0.000 0.250 510 E C -1.348 175.144 176.600 -0.180 0.000 0.890 510 E CA -0.266 55.954 56.400 -0.301 0.000 0.749 510 E CB 1.623 31.201 29.700 -0.204 0.000 1.193 510 E HN 0.241 nan 8.360 nan 0.000 0.423 511 V N 3.886 123.701 119.914 -0.165 0.000 2.465 511 V HA 0.226 4.346 4.120 0.001 0.000 0.279 511 V C -2.129 173.904 176.094 -0.102 0.000 1.045 511 V CA -2.233 59.996 62.300 -0.117 0.000 0.938 511 V CB 0.908 32.668 31.823 -0.105 0.000 0.986 511 V HN 0.481 nan 8.190 nan 0.000 0.467 512 P HA 0.001 nan 4.420 nan 0.000 0.261 512 P C -0.039 177.205 177.300 -0.094 0.000 1.173 512 P CA 0.275 63.323 63.100 -0.086 0.000 0.760 512 P CB 0.239 31.895 31.700 -0.074 0.000 0.783 513 R N 3.184 123.620 120.500 -0.106 0.000 2.458 513 R HA 0.064 4.404 4.340 0.001 0.000 0.303 513 R C 1.459 177.697 176.300 -0.102 0.000 1.013 513 R CA 0.158 56.193 56.100 -0.108 0.000 1.026 513 R CB 0.240 30.467 30.300 -0.121 0.000 0.948 513 R HN 0.509 nan 8.270 nan 0.000 0.417 514 A N 2.805 125.572 122.820 -0.089 0.000 2.070 514 A HA -0.136 4.184 4.320 0.001 0.000 0.220 514 A C 1.861 179.390 177.584 -0.091 0.000 1.159 514 A CA 1.447 53.435 52.037 -0.081 0.000 0.656 514 A CB 0.074 19.035 19.000 -0.064 0.000 0.800 514 A HN 0.676 nan 8.150 nan 0.000 0.453 515 S N -1.255 114.389 115.700 -0.094 0.000 2.441 515 S HA 0.469 4.940 4.470 0.001 0.000 0.224 515 S C 0.889 175.399 174.600 -0.150 0.000 1.043 515 S CA 0.425 58.569 58.200 -0.092 0.000 0.948 515 S CB 0.054 63.220 63.200 -0.056 0.000 0.810 515 S HN 0.750 nan 8.310 nan 0.000 0.504 516 A N 0.715 123.439 122.820 -0.159 0.000 2.350 516 A HA 0.773 5.093 4.320 0.001 0.000 0.324 516 A C 0.596 178.031 177.584 -0.248 0.000 1.118 516 A CA -0.577 51.328 52.037 -0.219 0.000 0.783 516 A CB 1.165 20.138 19.000 -0.045 0.000 1.236 516 A HN 0.103 nan 8.150 nan 0.000 0.457 517 R N 0.200 120.498 120.500 -0.336 0.000 2.320 517 R HA 0.226 4.566 4.340 0.001 0.000 0.193 517 R C 0.097 176.390 176.300 -0.012 0.000 0.885 517 R CA 0.491 56.485 56.100 -0.176 0.000 1.085 517 R CB 0.176 30.350 30.300 -0.211 0.000 1.253 517 R HN 0.630 nan 8.270 nan 0.000 0.636 518 K N -0.000 120.489 120.400 0.149 0.000 2.210 518 K HA 0.271 4.591 4.320 0.001 0.000 0.236 518 K C 0.990 177.724 176.600 0.222 0.000 1.016 518 K CA -0.450 55.971 56.287 0.223 0.000 0.913 518 K CB 0.640 33.288 32.500 0.247 0.000 1.141 518 K HN -0.134 nan 8.250 nan 0.000 0.462 519 F N 1.461 121.404 119.950 -0.013 0.000 2.325 519 F HA -0.093 4.435 4.527 0.001 0.000 0.299 519 F C 2.050 177.899 175.800 0.082 0.000 1.090 519 F CA 1.075 59.043 58.000 -0.052 0.000 1.392 519 F CB 0.342 39.125 39.000 -0.362 0.000 1.053 519 F HN 0.616 nan 8.300 nan 0.000 0.521 520 E N -0.712 119.599 120.200 0.185 0.000 2.130 520 E HA -0.280 4.070 4.350 0.001 0.000 0.196 520 E C 1.699 178.305 176.600 0.011 0.000 0.998 520 E CA 1.801 58.245 56.400 0.072 0.000 0.806 520 E CB -0.435 29.240 29.700 -0.042 0.000 0.738 520 E HN 0.598 nan 8.360 nan 0.000 0.459 521 H N -0.607 118.494 119.070 0.052 0.000 2.326 521 H HA -0.153 4.404 4.556 0.001 0.000 0.301 521 H C 1.876 177.215 175.328 0.019 0.000 1.081 521 H CA 1.811 57.872 56.048 0.021 0.000 1.334 521 H CB -0.385 29.378 29.762 0.001 0.000 1.385 521 H HN 0.216 nan 8.280 nan 0.000 0.504 522 Y N 1.497 121.800 120.300 0.006 0.000 2.040 522 Y HA -0.325 4.226 4.550 0.001 0.000 0.275 522 Y C 2.306 178.228 175.900 0.037 0.000 1.171 522 Y CA 1.749 59.799 58.100 -0.084 0.000 1.123 522 Y CB -0.862 37.394 38.460 -0.340 0.000 0.963 522 Y HN -0.003 nan 8.280 nan 0.000 0.493 523 V N 1.020 120.904 119.914 -0.051 0.000 2.252 523 V HA -0.394 3.726 4.120 0.001 0.000 0.249 523 V C 2.371 178.399 176.094 -0.109 0.000 1.056 523 V CA 2.527 64.781 62.300 -0.076 0.000 1.022 523 V CB -0.897 31.012 31.823 0.145 0.000 0.641 523 V HN 0.369 nan 8.190 nan 0.000 0.445 524 K N -0.320 120.053 120.400 -0.046 0.000 1.969 524 K HA -0.232 4.088 4.320 0.001 0.000 0.216 524 K C 2.345 178.932 176.600 -0.022 0.000 1.048 524 K CA 1.909 58.179 56.287 -0.028 0.000 0.948 524 K CB -0.434 32.053 32.500 -0.022 0.000 0.726 524 K HN 0.473 nan 8.250 nan 0.000 0.442 525 Q N -0.130 119.659 119.800 -0.018 0.000 2.182 525 Q HA -0.260 4.080 4.340 0.001 0.000 0.213 525 Q C 2.146 178.152 176.000 0.011 0.000 1.000 525 Q CA 1.681 57.480 55.803 -0.006 0.000 0.889 525 Q CB -0.208 28.516 28.738 -0.023 0.000 0.932 525 Q HN 0.344 nan 8.270 nan 0.000 0.415 526 M N -0.554 118.989 119.600 -0.095 0.000 2.086 526 M HA -0.118 4.362 4.480 0.001 0.000 0.261 526 M C 2.332 178.723 176.300 0.151 0.000 1.067 526 M CA 1.583 56.886 55.300 0.006 0.000 1.116 526 M CB -1.386 31.090 32.600 -0.207 0.000 1.348 526 M HN 0.234 nan 8.290 nan 0.000 0.407 527 A N 0.117 122.966 122.820 0.049 0.000 1.940 527 A HA -0.187 4.134 4.320 0.001 0.000 0.219 527 A C 2.080 179.708 177.584 0.073 0.000 1.176 527 A CA 1.783 53.855 52.037 0.058 0.000 0.631 527 A CB -0.774 18.241 19.000 0.024 0.000 0.814 527 A HN 0.607 nan 8.150 nan 0.000 0.446 528 E N -0.909 119.339 120.200 0.079 0.000 2.204 528 E HA 0.183 4.533 4.350 0.001 0.000 0.195 528 E C 1.365 178.002 176.600 0.062 0.000 0.990 528 E CA 0.246 56.688 56.400 0.069 0.000 0.821 528 E CB -0.328 29.413 29.700 0.067 0.000 0.750 528 E HN 0.758 nan 8.360 nan 0.000 0.477 529 G N 0.176 109.050 108.800 0.124 0.000 2.598 529 G HA2 -0.109 3.852 3.960 0.001 0.000 0.244 529 G HA3 -0.109 3.852 3.960 0.001 0.000 0.244 529 G C 0.088 175.011 174.900 0.038 0.000 1.302 529 G CA -0.553 44.455 45.100 -0.153 0.000 0.903 529 G HN 0.622 nan 8.290 nan 0.000 0.575 530 G N -2.562 106.089 108.800 -0.248 0.000 2.649 530 G HA2 0.721 4.681 3.960 0.001 0.000 0.290 530 G HA3 0.721 4.681 3.960 0.001 0.000 0.290 530 G C -2.060 172.760 174.900 -0.134 0.000 1.426 530 G CA 0.278 45.366 45.100 -0.020 0.000 0.794 530 G HN 0.553 nan 8.290 nan 0.000 0.483 531 P HA -0.090 nan 4.420 nan 0.000 0.221 531 P C 1.730 178.945 177.300 -0.141 0.000 1.141 531 P CA 0.838 63.894 63.100 -0.073 0.000 0.794 531 P CB 0.210 31.896 31.700 -0.023 0.000 0.764 532 I N -1.156 119.275 120.570 -0.232 0.000 2.333 532 I HA -0.112 4.058 4.170 0.001 0.000 0.246 532 I C 1.303 176.869 176.117 -0.918 0.000 1.106 532 I CA 1.453 62.512 61.300 -0.402 0.000 1.411 532 I CB -0.652 37.155 38.000 -0.322 0.000 1.082 532 I HN 0.024 nan 8.210 nan 0.000 0.420 533 S N 0.884 116.005 115.700 -0.966 0.000 2.767 533 S HA 0.177 4.648 4.470 0.001 0.000 0.253 533 S C 0.378 174.835 174.600 -0.238 0.000 1.082 533 S CA -0.487 57.127 58.200 -0.976 0.000 1.148 533 S CB -0.575 62.188 63.200 -0.729 0.000 0.808 533 S HN 0.330 nan 8.310 nan 0.000 0.466 534 Q N 1.598 121.320 119.800 -0.130 0.000 2.314 534 Q HA 0.464 4.805 4.340 0.001 0.000 0.258 534 Q C -0.696 175.451 176.000 0.245 0.000 0.954 534 Q CA -0.384 55.454 55.803 0.060 0.000 0.890 534 Q CB 0.673 29.415 28.738 0.006 0.000 1.210 534 Q HN 0.806 nan 8.270 nan 0.000 0.410 535 Y N -2.044 118.258 120.300 0.003 0.000 2.597 535 Y HA 0.657 5.208 4.550 0.001 0.000 0.340 535 Y C -1.165 174.739 175.900 0.007 0.000 1.097 535 Y CA -1.317 56.797 58.100 0.023 0.000 1.037 535 Y CB 1.223 39.707 38.460 0.041 0.000 1.305 535 Y HN 0.369 nan 8.280 nan 0.000 0.463 536 S N 1.893 117.568 115.700 -0.041 0.000 2.475 536 S HA 0.303 4.774 4.470 0.001 0.000 0.298 536 S C -0.631 173.883 174.600 -0.144 0.000 1.119 536 S CA -0.883 57.241 58.200 -0.126 0.000 1.085 536 S CB 0.986 64.167 63.200 -0.032 0.000 1.028 536 S HN 0.661 nan 8.310 nan 0.000 0.489 537 N N 1.521 120.112 118.700 -0.182 0.000 2.307 537 N HA 0.032 4.772 4.740 0.001 0.000 0.230 537 N C 1.484 176.962 175.510 -0.053 0.000 1.297 537 N CA -0.141 52.833 53.050 -0.127 0.000 0.884 537 N CB 0.249 38.668 38.487 -0.114 0.000 1.115 537 N HN 0.650 nan 8.380 nan 0.000 0.436 538 R N -0.020 120.461 120.500 -0.032 0.000 2.103 538 R HA -0.230 4.111 4.340 0.001 0.000 0.242 538 R C 1.668 177.955 176.300 -0.022 0.000 1.142 538 R CA 2.264 58.353 56.100 -0.020 0.000 0.960 538 R CB -0.759 29.530 30.300 -0.018 0.000 0.858 538 R HN 0.875 nan 8.270 nan 0.000 0.439 539 T N -0.692 113.845 114.554 -0.029 0.000 2.580 539 T HA -0.230 4.121 4.350 0.001 0.000 0.265 539 T C 1.940 176.628 174.700 -0.019 0.000 1.063 539 T CA 1.624 63.709 62.100 -0.024 0.000 1.170 539 T CB -0.439 68.411 68.868 -0.030 0.000 0.863 539 T HN 0.280 nan 8.240 nan 0.000 0.418 540 K N 0.406 120.789 120.400 -0.028 0.000 2.063 540 K HA -0.073 4.248 4.320 0.001 0.000 0.208 540 K C 2.400 178.998 176.600 -0.004 0.000 1.048 540 K CA 1.495 57.771 56.287 -0.019 0.000 0.928 540 K CB -0.595 31.884 32.500 -0.036 0.000 0.713 540 K HN 0.338 nan 8.250 nan 0.000 0.442 541 V N 2.253 122.163 119.914 -0.007 0.000 2.392 541 V HA -0.314 3.807 4.120 0.001 0.000 0.249 541 V C 2.537 178.636 176.094 0.008 0.000 1.059 541 V CA 2.237 64.538 62.300 0.001 0.000 1.051 541 V CB -0.577 31.242 31.823 -0.006 0.000 0.658 541 V HN 0.531 nan 8.190 nan 0.000 0.455 542 Q N -0.178 119.626 119.800 0.007 0.000 2.008 542 Q HA -0.174 4.167 4.340 0.001 0.000 0.196 542 Q C 1.927 177.951 176.000 0.039 0.000 0.973 542 Q CA 1.706 57.521 55.803 0.020 0.000 0.826 542 Q CB -0.638 28.103 28.738 0.006 0.000 0.894 542 Q HN 0.494 nan 8.270 nan 0.000 0.439 543 N N 1.440 120.154 118.700 0.024 0.000 2.247 543 N HA -0.156 4.585 4.740 0.001 0.000 0.189 543 N C 1.015 176.555 175.510 0.049 0.000 1.009 543 N CA 1.658 54.726 53.050 0.030 0.000 0.872 543 N CB -0.167 38.328 38.487 0.014 0.000 0.980 543 N HN 0.376 nan 8.380 nan 0.000 0.436 544 D N -0.340 120.092 120.400 0.053 0.000 2.183 544 D HA 0.048 4.688 4.640 0.001 0.000 0.205 544 D C 1.971 178.347 176.300 0.126 0.000 0.962 544 D CA 0.298 54.341 54.000 0.072 0.000 0.849 544 D CB -0.126 40.705 40.800 0.052 0.000 0.978 544 D HN 0.243 nan 8.370 nan 0.000 0.488 545 L N 0.572 121.878 121.223 0.139 0.000 2.131 545 L HA -0.121 4.220 4.340 0.001 0.000 0.210 545 L C 2.558 179.626 176.870 0.329 0.000 1.092 545 L CA 0.878 55.883 54.840 0.275 0.000 0.759 545 L CB -0.187 41.995 42.059 0.206 0.000 0.903 545 L HN -0.042 nan 8.230 nan 0.000 0.435 546 R N 0.192 120.797 120.500 0.174 0.000 2.109 546 R HA -0.161 4.179 4.340 0.001 0.000 0.227 546 R C 2.547 178.934 176.300 0.146 0.000 1.132 546 R CA 2.067 58.238 56.100 0.118 0.000 0.907 546 R CB -0.656 29.683 30.300 0.064 0.000 0.825 546 R HN 0.393 nan 8.270 nan 0.000 0.432 547 S N 0.468 116.237 115.700 0.114 0.000 2.420 547 S HA -0.124 4.347 4.470 0.001 0.000 0.237 547 S C 2.147 176.818 174.600 0.118 0.000 1.023 547 S CA 1.371 59.629 58.200 0.097 0.000 0.991 547 S CB -0.593 62.648 63.200 0.068 0.000 0.792 547 S HN 0.080 nan 8.310 nan 0.000 0.488 548 V N 0.835 120.857 119.914 0.180 0.000 2.237 548 V HA -0.186 3.935 4.120 0.001 0.000 0.245 548 V C 2.139 178.366 176.094 0.222 0.000 1.046 548 V CA 2.103 64.538 62.300 0.224 0.000 1.007 548 V CB -0.909 31.126 31.823 0.354 0.000 0.638 548 V HN 0.578 nan 8.190 nan 0.000 0.445 549 Y N 0.973 121.329 120.300 0.092 0.000 2.114 549 Y HA -0.273 4.277 4.550 0.001 0.000 0.284 549 Y C 2.639 178.511 175.900 -0.045 0.000 1.143 549 Y CA 2.136 60.202 58.100 -0.056 0.000 1.135 549 Y CB -0.204 37.991 38.460 -0.442 0.000 0.980 549 Y HN 0.114 nan 8.280 nan 0.000 0.499 550 K N 0.139 120.672 120.400 0.221 0.000 2.044 550 K HA -0.260 4.061 4.320 0.001 0.000 0.210 550 K C 2.131 178.727 176.600 -0.008 0.000 1.049 550 K CA 2.064 58.423 56.287 0.119 0.000 0.927 550 K CB -0.507 32.055 32.500 0.104 0.000 0.713 550 K HN 0.457 nan 8.250 nan 0.000 0.443 551 L N 0.712 121.928 121.223 -0.012 0.000 2.023 551 L HA -0.085 4.256 4.340 0.001 0.000 0.205 551 L C 2.278 179.072 176.870 -0.126 0.000 1.073 551 L CA 1.040 55.852 54.840 -0.047 0.000 0.745 551 L CB -0.161 41.889 42.059 -0.015 0.000 0.900 551 L HN 0.173 nan 8.230 nan 0.000 0.435 552 I N -0.107 120.355 120.570 -0.180 0.000 2.335 552 I HA -0.328 3.842 4.170 0.001 0.000 0.251 552 I C 2.700 178.559 176.117 -0.430 0.000 1.129 552 I CA 1.452 62.558 61.300 -0.323 0.000 1.402 552 I CB -0.050 37.665 38.000 -0.474 0.000 1.069 552 I HN 0.400 nan 8.210 nan 0.000 0.424 553 R N 1.428 121.650 120.500 -0.464 0.000 2.057 553 R HA -0.031 4.309 4.340 0.001 0.000 0.224 553 R C 1.706 177.733 176.300 -0.455 0.000 1.136 553 R CA 1.255 57.021 56.100 -0.556 0.000 0.968 553 R CB -0.492 29.408 30.300 -0.667 0.000 0.863 553 R HN 0.121 nan 8.270 nan 0.000 0.433 554 R N 0.820 121.185 120.500 -0.225 0.000 2.858 554 R HA 0.000 4.341 4.340 0.001 0.000 0.228 554 R C 0.872 177.147 176.300 -0.042 0.000 1.471 554 R CA 0.395 56.453 56.100 -0.069 0.000 1.342 554 R CB -0.082 30.212 30.300 -0.009 0.000 1.152 554 R HN 0.457 nan 8.270 nan 0.000 0.521 555 Q N -0.968 118.760 119.800 -0.119 0.000 2.254 555 Q HA 0.013 4.354 4.340 0.001 0.000 0.259 555 Q C -0.515 175.477 176.000 -0.012 0.000 0.815 555 Q CA -0.183 55.581 55.803 -0.066 0.000 0.961 555 Q CB 0.824 29.492 28.738 -0.116 0.000 1.140 555 Q HN 0.384 nan 8.270 nan 0.000 0.502 556 H N 1.143 120.154 119.070 -0.098 0.000 2.252 556 H HA -0.161 4.396 4.556 0.001 0.000 0.314 556 H C -0.028 175.256 175.328 -0.073 0.000 0.918 556 H CA 0.843 56.841 56.048 -0.084 0.000 1.042 556 H CB -0.061 29.665 29.762 -0.059 0.000 1.604 556 H HN 0.282 nan 8.280 nan 0.000 0.331 557 R N 0.988 121.472 120.500 -0.027 0.000 2.531 557 R HA 0.253 4.593 4.340 0.001 0.000 0.316 557 R C 0.516 176.792 176.300 -0.041 0.000 0.955 557 R CA -0.009 56.075 56.100 -0.027 0.000 1.120 557 R CB 0.827 31.098 30.300 -0.048 0.000 1.361 557 R HN 0.224 nan 8.270 nan 0.000 0.534 558 L N 1.645 122.829 121.223 -0.064 0.000 2.322 558 L HA 0.387 4.727 4.340 0.001 0.000 0.279 558 L C 0.814 177.669 176.870 -0.025 0.000 1.036 558 L CA -0.805 53.994 54.840 -0.068 0.000 0.807 558 L CB 1.594 43.573 42.059 -0.133 0.000 1.226 558 L HN -0.028 nan 8.230 nan 0.000 0.433 559 S N 1.166 116.857 115.700 -0.014 0.000 2.566 559 S HA 0.044 4.515 4.470 0.001 0.000 0.280 559 S C 0.819 175.426 174.600 0.012 0.000 1.343 559 S CA -0.374 57.828 58.200 0.004 0.000 1.036 559 S CB 0.604 63.807 63.200 0.005 0.000 0.866 559 S HN 0.673 nan 8.310 nan 0.000 0.526 560 K N 1.260 121.674 120.400 0.024 0.000 2.360 560 K HA -0.074 4.246 4.320 0.001 0.000 0.201 560 K C 2.233 178.854 176.600 0.034 0.000 1.046 560 K CA 1.012 57.319 56.287 0.033 0.000 0.945 560 K CB -0.328 32.193 32.500 0.035 0.000 0.750 560 K HN 0.553 nan 8.250 nan 0.000 0.464 561 S N 0.961 116.678 115.700 0.028 0.000 2.361 561 S HA -0.152 4.318 4.470 0.001 0.000 0.214 561 S C 2.125 176.752 174.600 0.045 0.000 1.034 561 S CA 1.832 60.052 58.200 0.034 0.000 1.025 561 S CB -0.239 62.977 63.200 0.026 0.000 0.996 561 S HN 0.450 nan 8.310 nan 0.000 0.422 562 S N 1.952 117.673 115.700 0.034 0.000 2.372 562 S HA -0.256 4.215 4.470 0.001 0.000 0.227 562 S C 1.843 176.490 174.600 0.078 0.000 1.044 562 S CA 1.378 59.604 58.200 0.044 0.000 1.050 562 S CB -0.840 62.360 63.200 -0.000 0.000 0.901 562 S HN 0.526 nan 8.310 nan 0.000 0.447 563 Q N 0.266 120.085 119.800 0.032 0.000 2.170 563 Q HA 0.034 4.374 4.340 0.001 0.000 0.203 563 Q C 2.245 178.321 176.000 0.128 0.000 0.976 563 Q CA 0.779 56.609 55.803 0.046 0.000 0.858 563 Q CB -0.316 28.401 28.738 -0.035 0.000 0.907 563 Q HN 0.420 nan 8.270 nan 0.000 0.433 564 L N 1.379 122.660 121.223 0.097 0.000 1.976 564 L HA -0.231 4.110 4.340 0.001 0.000 0.209 564 L C 2.346 179.283 176.870 0.112 0.000 1.071 564 L CA 2.145 57.041 54.840 0.093 0.000 0.746 564 L CB -0.802 41.296 42.059 0.065 0.000 0.890 564 L HN 0.415 nan 8.230 nan 0.000 0.432 565 Q N -2.085 117.785 119.800 0.116 0.000 2.331 565 Q HA -0.186 4.155 4.340 0.001 0.000 0.203 565 Q C 2.192 178.283 176.000 0.152 0.000 0.944 565 Q CA 0.775 56.642 55.803 0.107 0.000 0.892 565 Q CB -0.738 28.051 28.738 0.085 0.000 0.983 565 Q HN 0.405 nan 8.270 nan 0.000 0.482 566 F N 3.372 123.358 119.950 0.060 0.000 2.095 566 F HA -0.212 4.315 4.527 0.001 0.000 0.298 566 F C 1.695 177.609 175.800 0.189 0.000 1.104 566 F CA 1.776 59.838 58.000 0.103 0.000 1.232 566 F CB -0.308 38.714 39.000 0.036 0.000 0.987 566 F HN 0.014 nan 8.300 nan 0.000 0.475 567 N N 1.083 119.847 118.700 0.107 0.000 2.069 567 N HA -0.214 4.526 4.740 0.001 0.000 0.191 567 N C 2.098 177.630 175.510 0.036 0.000 1.031 567 N CA 1.654 54.750 53.050 0.076 0.000 0.852 567 N CB -1.107 37.476 38.487 0.160 0.000 1.018 567 N HN 0.463 nan 8.380 nan 0.000 0.423 568 A N 1.787 124.635 122.820 0.047 0.000 1.859 568 A HA -0.168 4.152 4.320 0.001 0.000 0.218 568 A C 2.438 180.023 177.584 0.001 0.000 1.209 568 A CA 1.579 53.632 52.037 0.028 0.000 0.639 568 A CB -1.118 17.904 19.000 0.036 0.000 0.835 568 A HN 0.269 nan 8.150 nan 0.000 0.450 569 L N -2.728 118.489 121.223 -0.011 0.000 2.042 569 L HA -0.228 4.112 4.340 0.001 0.000 0.210 569 L C 2.615 179.422 176.870 -0.105 0.000 1.076 569 L CA 1.789 56.599 54.840 -0.050 0.000 0.749 569 L CB -0.739 41.299 42.059 -0.035 0.000 0.893 569 L HN 0.495 nan 8.230 nan 0.000 0.432 570 Y N 0.884 121.029 120.300 -0.258 0.000 2.128 570 Y HA -0.283 4.268 4.550 0.001 0.000 0.284 570 Y C 2.703 178.505 175.900 -0.162 0.000 1.154 570 Y CA 1.666 59.607 58.100 -0.265 0.000 1.149 570 Y CB -0.072 38.163 38.460 -0.374 0.000 0.976 570 Y HN 0.036 nan 8.280 nan 0.000 0.505 571 K N -0.167 120.252 120.400 0.032 0.000 2.032 571 K HA -0.207 4.114 4.320 0.001 0.000 0.209 571 K C 1.561 178.139 176.600 -0.036 0.000 1.048 571 K CA 1.769 58.053 56.287 -0.004 0.000 0.927 571 K CB -0.342 32.155 32.500 -0.005 0.000 0.712 571 K HN 0.333 nan 8.250 nan 0.000 0.441 572 D N 0.709 121.081 120.400 -0.047 0.000 2.087 572 D HA -0.160 4.481 4.640 0.001 0.000 0.192 572 D C 2.021 178.276 176.300 -0.076 0.000 0.993 572 D CA 1.077 55.045 54.000 -0.054 0.000 0.828 572 D CB -0.685 40.083 40.800 -0.054 0.000 0.968 572 D HN -0.077 nan 8.370 nan 0.000 0.448 573 V N 1.454 121.298 119.914 -0.116 0.000 2.317 573 V HA -0.256 3.864 4.120 0.001 0.000 0.251 573 V C 2.398 178.424 176.094 -0.114 0.000 1.065 573 V CA 1.403 63.615 62.300 -0.146 0.000 1.049 573 V CB -0.520 31.146 31.823 -0.261 0.000 0.651 573 V HN 0.274 nan 8.190 nan 0.000 0.450 574 I N -1.041 119.471 120.570 -0.096 0.000 2.761 574 I HA -0.095 4.075 4.170 0.001 0.000 0.261 574 I C 2.646 178.735 176.117 -0.046 0.000 1.198 574 I CA 0.776 62.040 61.300 -0.060 0.000 1.482 574 I CB -0.530 37.453 38.000 -0.029 0.000 1.100 574 I HN 0.289 nan 8.210 nan 0.000 0.445 575 R N 1.552 122.024 120.500 -0.047 0.000 2.056 575 R HA 0.020 4.360 4.340 0.001 0.000 0.227 575 R C 2.465 178.742 176.300 -0.040 0.000 1.149 575 R CA 1.512 57.589 56.100 -0.038 0.000 0.937 575 R CB -0.814 29.465 30.300 -0.035 0.000 0.835 575 R HN 0.281 nan 8.270 nan 0.000 0.430 576 A N 1.420 124.212 122.820 -0.047 0.000 2.024 576 A HA -0.089 4.231 4.320 0.001 0.000 0.220 576 A C 2.148 179.705 177.584 -0.045 0.000 1.164 576 A CA 1.222 53.231 52.037 -0.046 0.000 0.643 576 A CB -0.473 18.494 19.000 -0.055 0.000 0.806 576 A HN 0.201 nan 8.150 nan 0.000 0.451 577 L N -1.726 119.467 121.223 -0.049 0.000 2.592 577 L HA 0.388 4.729 4.340 0.001 0.000 0.227 577 L C 1.087 177.936 176.870 -0.035 0.000 1.127 577 L CA 0.207 55.020 54.840 -0.044 0.000 0.884 577 L CB -0.896 41.133 42.059 -0.050 0.000 1.065 577 L HN 0.597 nan 8.230 nan 0.000 0.457 609 V N 2.617 122.471 119.914 -0.099 0.000 2.546 609 V HA 0.256 4.377 4.120 0.001 0.000 0.284 609 V C 0.110 176.108 176.094 -0.160 0.000 1.050 609 V CA 0.160 62.388 62.300 -0.119 0.000 0.981 609 V CB 1.278 33.060 31.823 -0.068 0.000 0.990 609 V HN 0.675 nan 8.190 nan 0.000 0.474 610 E N 1.553 121.597 120.200 -0.261 0.000 2.392 610 E HA 0.713 5.064 4.350 0.001 0.000 0.269 610 E C -0.941 175.630 176.600 -0.049 0.000 0.924 610 E CA -0.610 55.638 56.400 -0.253 0.000 0.784 610 E CB 2.677 32.077 29.700 -0.499 0.000 1.292 610 E HN 0.823 nan 8.360 nan 0.000 0.447 611 T N -1.675 112.954 114.554 0.126 0.000 2.865 611 T HA 0.637 4.988 4.350 0.001 0.000 0.294 611 T C -0.351 174.479 174.700 0.217 0.000 1.119 611 T CA -0.728 61.471 62.100 0.166 0.000 1.007 611 T CB 0.825 69.654 68.868 -0.065 0.000 1.225 611 T HN 0.289 nan 8.240 nan 0.000 0.515 612 I N 1.783 122.346 120.570 -0.012 0.000 2.377 612 I HA 0.346 4.516 4.170 0.001 0.000 0.293 612 I C -2.051 173.889 176.117 -0.295 0.000 0.987 612 I CA -2.930 58.269 61.300 -0.169 0.000 1.185 612 I CB 2.554 40.362 38.000 -0.319 0.000 1.341 612 I HN 0.482 nan 8.210 nan 0.000 0.455 613 P HA 0.067 nan 4.420 nan 0.000 0.286 613 P C 0.316 177.698 177.300 0.136 0.000 1.577 613 P CA 0.217 63.295 63.100 -0.037 0.000 0.805 613 P CB -0.353 31.369 31.700 0.037 0.000 1.706 614 F N -2.923 117.106 119.950 0.132 0.000 2.719 614 F HA -0.286 4.242 4.527 0.001 0.000 0.526 614 F C 0.645 176.604 175.800 0.265 0.000 0.518 614 F CA 1.230 59.355 58.000 0.208 0.000 0.691 614 F CB -1.517 37.575 39.000 0.154 0.000 1.566 614 F HN 0.071 nan 8.300 nan 0.000 0.253 615 L N 1.290 122.748 121.223 0.391 0.000 2.442 615 L HA 0.394 4.734 4.340 0.001 0.000 0.261 615 L C -0.219 176.813 176.870 0.271 0.000 1.000 615 L CA -0.530 54.488 54.840 0.297 0.000 0.882 615 L CB 1.104 43.360 42.059 0.329 0.000 1.207 615 L HN 0.145 nan 8.230 nan 0.000 0.443 616 H N 2.571 121.706 119.070 0.108 0.000 2.821 616 H HA 0.634 5.190 4.556 0.001 0.000 0.373 616 H C -1.084 174.296 175.328 0.086 0.000 1.165 616 H CA -0.993 55.074 56.048 0.031 0.000 1.154 616 H CB 1.975 31.537 29.762 -0.332 0.000 1.765 616 H HN 0.281 nan 8.280 nan 0.000 0.549 617 L N 1.105 122.452 121.223 0.207 0.000 2.488 617 L HA 0.581 4.921 4.340 0.001 0.000 0.249 617 L C 0.570 177.596 176.870 0.261 0.000 1.151 617 L CA -0.913 54.028 54.840 0.168 0.000 0.806 617 L CB 0.558 42.712 42.059 0.159 0.000 1.261 617 L HN 0.596 nan 8.230 nan 0.000 0.484 618 R N -0.268 120.379 120.500 0.245 0.000 2.831 618 R HA 0.570 4.910 4.340 0.001 0.000 0.266 618 R C -1.305 175.214 176.300 0.366 0.000 1.051 618 R CA -1.003 55.257 56.100 0.266 0.000 0.943 618 R CB 2.565 32.907 30.300 0.070 0.000 1.228 618 R HN 0.419 nan 8.270 nan 0.000 0.467 619 K N 0.852 121.408 120.400 0.259 0.000 2.482 619 K HA 0.375 4.695 4.320 0.001 0.000 0.257 619 K C -1.190 175.295 176.600 -0.192 0.000 0.969 619 K CA -0.744 55.611 56.287 0.113 0.000 0.842 619 K CB 2.189 34.722 32.500 0.055 0.000 1.359 619 K HN 0.302 nan 8.250 nan 0.000 0.441 620 K N 1.745 121.850 120.400 -0.492 0.000 2.205 620 K HA 0.087 4.407 4.320 0.001 0.000 0.279 620 K C -0.496 175.913 176.600 -0.318 0.000 1.027 620 K CA -0.516 55.372 56.287 -0.665 0.000 0.932 620 K CB 1.014 32.996 32.500 -0.862 0.000 1.032 620 K HN 0.532 nan 8.250 nan 0.000 0.466 621 D N 1.872 122.129 120.400 -0.238 0.000 2.371 621 D HA -0.027 4.613 4.640 0.001 0.000 0.242 621 D C 0.931 177.186 176.300 -0.075 0.000 1.218 621 D CA 0.288 54.234 54.000 -0.090 0.000 0.945 621 D CB 0.873 41.670 40.800 -0.004 0.000 1.137 621 D HN 0.461 nan 8.370 nan 0.000 0.464 622 E N 0.264 120.464 120.200 0.000 0.000 2.130 622 E HA -0.205 4.145 4.350 0.001 0.000 0.196 622 E C 0.433 176.910 176.600 -0.206 0.000 0.998 622 E CA 0.967 57.309 56.400 -0.097 0.000 0.806 622 E CB -0.194 29.468 29.700 -0.065 0.000 0.738 622 E HN 0.412 nan 8.360 nan 0.000 0.459 623 F N 1.181 121.068 119.950 -0.105 0.000 2.573 623 F HA 0.262 4.789 4.527 0.001 0.000 0.349 623 F C 1.157 176.884 175.800 -0.122 0.000 1.213 623 F CA -0.568 57.378 58.000 -0.090 0.000 1.300 623 F CB 0.380 39.340 39.000 -0.067 0.000 1.661 623 F HN -0.107 nan 8.300 nan 0.000 0.616 624 G N 2.158 110.922 108.800 -0.060 0.000 1.969 624 G HA2 -0.306 3.654 3.960 0.001 0.000 0.238 624 G HA3 -0.306 3.654 3.960 0.001 0.000 0.238 624 G C -0.096 174.688 174.900 -0.193 0.000 0.690 624 G CA 0.190 45.190 45.100 -0.167 0.000 0.979 624 G HN 0.463 nan 8.290 nan 0.000 0.375 625 N N -0.358 118.195 118.700 -0.245 0.000 2.284 625 N HA 0.356 5.096 4.740 0.001 0.000 0.300 625 N C -0.695 174.616 175.510 -0.331 0.000 1.047 625 N CA -0.762 52.175 53.050 -0.189 0.000 0.821 625 N CB 1.166 39.613 38.487 -0.067 0.000 1.337 625 N HN 0.366 nan 8.380 nan 0.000 0.482 626 W N 1.562 122.788 121.300 -0.123 0.000 2.360 626 W HA 0.280 4.941 4.660 0.001 0.000 0.344 626 W C 0.314 176.685 176.519 -0.247 0.000 1.025 626 W CA -0.485 56.694 57.345 -0.276 0.000 1.480 626 W CB 0.352 29.447 29.460 -0.608 0.000 1.350 626 W HN 0.212 nan 8.180 nan 0.000 0.382 627 E N 1.938 122.150 120.200 0.020 0.000 2.191 627 E HA 0.079 4.429 4.350 0.001 0.000 0.274 627 E C -0.678 175.986 176.600 0.106 0.000 0.948 627 E CA -1.451 54.962 56.400 0.022 0.000 0.802 627 E CB 1.360 31.044 29.700 -0.025 0.000 1.137 627 E HN 0.152 nan 8.360 nan 0.000 0.397 628 Y N 2.552 122.813 120.300 -0.065 0.000 2.852 628 Y HA -0.066 4.484 4.550 0.001 0.000 0.343 628 Y C -0.349 175.539 175.900 -0.019 0.000 1.280 628 Y CA -0.177 57.889 58.100 -0.058 0.000 1.604 628 Y CB -0.013 38.305 38.460 -0.238 0.000 1.216 628 Y HN 0.297 nan 8.280 nan 0.000 0.541 629 S N 7.108 123.082 115.700 0.457 0.000 2.461 629 S HA 0.319 4.790 4.470 0.001 0.000 0.322 629 S C 0.816 175.575 174.600 0.265 0.000 1.063 629 S CA -0.812 57.494 58.200 0.176 0.000 1.120 629 S CB 0.464 63.765 63.200 0.168 0.000 0.968 629 S HN 0.837 nan 8.310 nan 0.000 0.467 630 K N 3.603 123.978 120.400 -0.042 0.000 2.097 630 K HA -0.105 4.215 4.320 0.001 0.000 0.206 630 K C 1.744 178.443 176.600 0.165 0.000 1.049 630 K CA 1.245 57.614 56.287 0.137 0.000 0.933 630 K CB -0.044 32.418 32.500 -0.064 0.000 0.717 630 K HN 0.642 nan 8.250 nan 0.000 0.442 631 K N 0.809 121.267 120.400 0.097 0.000 2.044 631 K HA -0.165 4.156 4.320 0.001 0.000 0.210 631 K C 2.214 178.894 176.600 0.133 0.000 1.049 631 K CA 1.422 57.765 56.287 0.094 0.000 0.927 631 K CB -0.278 32.261 32.500 0.065 0.000 0.713 631 K HN 0.100 nan 8.250 nan 0.000 0.443 632 L N 0.520 121.844 121.223 0.167 0.000 2.034 632 L HA -0.107 4.234 4.340 0.001 0.000 0.203 632 L C 2.512 179.531 176.870 0.249 0.000 1.074 632 L CA 1.217 56.170 54.840 0.189 0.000 0.748 632 L CB -0.966 41.204 42.059 0.185 0.000 0.905 632 L HN 0.152 nan 8.230 nan 0.000 0.439 633 T N 0.174 114.912 114.554 0.306 0.000 2.714 633 T HA -0.228 4.122 4.350 0.001 0.000 0.268 633 T C 1.722 176.580 174.700 0.263 0.000 1.036 633 T CA 1.494 63.799 62.100 0.342 0.000 1.148 633 T CB -0.760 68.339 68.868 0.385 0.000 0.856 633 T HN 0.611 nan 8.240 nan 0.000 0.462 634 G N 1.273 110.201 108.800 0.214 0.000 2.556 634 G HA2 -0.140 3.820 3.960 0.001 0.000 0.215 634 G HA3 -0.140 3.820 3.960 0.001 0.000 0.215 634 G C 1.458 176.434 174.900 0.128 0.000 1.258 634 G CA 0.622 45.807 45.100 0.141 0.000 0.811 634 G HN 0.531 nan 8.290 nan 0.000 0.557 635 I N -0.580 120.072 120.570 0.138 0.000 2.367 635 I HA -0.289 3.882 4.170 0.001 0.000 0.256 635 I C 2.354 178.573 176.117 0.171 0.000 1.132 635 I CA 1.906 63.283 61.300 0.128 0.000 1.397 635 I CB -0.069 38.002 38.000 0.118 0.000 1.074 635 I HN 0.363 nan 8.210 nan 0.000 0.435 636 Y N 1.190 121.534 120.300 0.074 0.000 2.134 636 Y HA -0.144 4.407 4.550 0.001 0.000 0.283 636 Y C 2.136 178.068 175.900 0.053 0.000 1.108 636 Y CA 1.617 59.755 58.100 0.063 0.000 1.096 636 Y CB -0.989 37.514 38.460 0.071 0.000 1.005 636 Y HN 0.068 nan 8.280 nan 0.000 0.487 637 L N 0.645 121.651 121.223 -0.362 0.000 2.137 637 L HA -0.302 4.039 4.340 0.001 0.000 0.213 637 L C 2.066 178.802 176.870 -0.223 0.000 1.085 637 L CA 1.636 56.200 54.840 -0.460 0.000 0.760 637 L CB -0.600 41.354 42.059 -0.175 0.000 0.893 637 L HN 0.324 nan 8.230 nan 0.000 0.434 638 D N -0.356 119.992 120.400 -0.087 0.000 2.078 638 D HA -0.153 4.487 4.640 0.001 0.000 0.193 638 D C 2.076 178.359 176.300 -0.028 0.000 0.990 638 D CA 1.610 55.593 54.000 -0.029 0.000 0.827 638 D CB -0.583 40.227 40.800 0.015 0.000 0.975 638 D HN 0.343 nan 8.370 nan 0.000 0.451 639 G N 0.953 109.747 108.800 -0.011 0.000 2.440 639 G HA2 -0.246 3.714 3.960 0.001 0.000 0.218 639 G HA3 -0.246 3.714 3.960 0.001 0.000 0.218 639 G C 1.580 176.463 174.900 -0.028 0.000 1.154 639 G CA 0.715 45.820 45.100 0.009 0.000 0.767 639 G HN 0.227 nan 8.290 nan 0.000 0.552 640 L N 0.608 121.739 121.223 -0.153 0.000 2.081 640 L HA -0.062 4.278 4.340 0.001 0.000 0.212 640 L C 2.463 179.347 176.870 0.022 0.000 1.080 640 L CA 2.278 56.981 54.840 -0.229 0.000 0.754 640 L CB -0.433 41.288 42.059 -0.563 0.000 0.893 640 L HN 0.326 nan 8.230 nan 0.000 0.433 641 E N -0.643 119.567 120.200 0.017 0.000 2.051 641 E HA -0.138 4.212 4.350 0.001 0.000 0.189 641 E C 2.096 178.751 176.600 0.092 0.000 0.979 641 E CA 0.974 57.427 56.400 0.089 0.000 0.803 641 E CB -0.048 29.667 29.700 0.025 0.000 0.761 641 E HN 0.547 nan 8.360 nan 0.000 0.451 642 A N 1.434 124.282 122.820 0.046 0.000 1.986 642 A HA -0.201 4.119 4.320 0.001 0.000 0.220 642 A C 2.339 179.951 177.584 0.047 0.000 1.171 642 A CA 2.108 54.165 52.037 0.034 0.000 0.640 642 A CB -0.608 18.403 19.000 0.018 0.000 0.811 642 A HN 0.371 nan 8.150 nan 0.000 0.451 643 A N -0.156 122.717 122.820 0.089 0.000 1.855 643 A HA 0.199 4.519 4.320 0.001 0.000 0.215 643 A C 2.511 180.171 177.584 0.126 0.000 1.191 643 A CA 1.989 54.096 52.037 0.116 0.000 0.613 643 A CB -1.184 17.937 19.000 0.202 0.000 0.829 643 A HN 1.203 nan 8.150 nan 0.000 0.442 644 A N -0.793 122.187 122.820 0.268 0.000 2.076 644 A HA -0.145 4.175 4.320 0.001 0.000 0.220 644 A C 2.200 179.797 177.584 0.021 0.000 1.160 644 A CA 1.590 53.703 52.037 0.127 0.000 0.653 644 A CB -0.364 18.788 19.000 0.252 0.000 0.801 644 A HN 0.580 nan 8.150 nan 0.000 0.455 645 R N -0.541 119.975 120.500 0.028 0.000 1.981 645 R HA 0.026 4.367 4.340 0.001 0.000 0.207 645 R C 2.043 178.327 176.300 -0.026 0.000 1.375 645 R CA 1.253 57.353 56.100 -0.001 0.000 1.068 645 R CB -0.417 29.887 30.300 0.006 0.000 0.890 645 R HN 0.552 nan 8.270 nan 0.000 0.481 646 S N -0.008 115.678 115.700 -0.022 0.000 2.577 646 S HA 0.292 4.762 4.470 0.001 0.000 0.219 646 S C 0.838 175.410 174.600 -0.048 0.000 0.962 646 S CA -0.038 58.143 58.200 -0.031 0.000 0.921 646 S CB 0.640 63.828 63.200 -0.021 0.000 0.789 646 S HN 0.734 nan 8.310 nan 0.000 0.497 647 G N 1.002 109.764 108.800 -0.064 0.000 2.584 647 G HA2 0.025 3.986 3.960 0.001 0.000 0.229 647 G HA3 0.025 3.986 3.960 0.001 0.000 0.229 647 G C -1.098 173.756 174.900 -0.077 0.000 1.320 647 G CA -0.215 44.825 45.100 -0.099 0.000 0.891 647 G HN 1.318 nan 8.290 nan 0.000 0.573 648 L N -0.960 120.207 121.223 -0.094 0.000 2.676 648 L HA 0.726 5.066 4.340 0.001 0.000 0.262 648 L C -0.033 176.670 176.870 -0.278 0.000 0.932 648 L CA 0.512 55.254 54.840 -0.162 0.000 0.932 648 L CB 1.687 43.679 42.059 -0.111 0.000 1.355 648 L HN 1.371 nan 8.230 nan 0.000 0.421 649 T N 3.512 117.873 114.554 -0.323 0.000 2.929 649 T HA 0.632 4.983 4.350 0.001 0.000 0.284 649 T C -0.105 174.314 174.700 -0.469 0.000 1.014 649 T CA 0.033 61.966 62.100 -0.277 0.000 1.051 649 T CB 0.558 69.361 68.868 -0.108 0.000 1.028 649 T HN 0.417 nan 8.240 nan 0.000 0.485 650 F N 1.078 121.043 119.950 0.025 0.000 2.775 650 F HA 0.394 4.921 4.527 0.001 0.000 0.313 650 F C 1.082 176.878 175.800 -0.007 0.000 1.121 650 F CA -0.644 57.364 58.000 0.013 0.000 1.206 650 F CB 0.163 39.133 39.000 -0.051 0.000 1.052 650 F HN 0.509 nan 8.300 nan 0.000 0.524 651 Q N 0.684 120.547 119.800 0.103 0.000 2.485 651 Q HA 0.190 4.530 4.340 0.001 0.000 0.348 651 Q C 1.503 177.504 176.000 0.002 0.000 1.097 651 Q CA 1.624 57.453 55.803 0.042 0.000 1.079 651 Q CB 0.280 29.027 28.738 0.014 0.000 1.108 651 Q HN 0.719 nan 8.270 nan 0.000 0.400 652 G N 2.952 111.715 108.800 -0.060 0.000 2.212 652 G HA2 -0.246 3.715 3.960 0.001 0.000 0.266 652 G HA3 -0.246 3.715 3.960 0.001 0.000 0.266 652 G C -0.246 174.461 174.900 -0.321 0.000 0.978 652 G CA 0.315 45.314 45.100 -0.169 0.000 0.632 652 G HN 0.521 nan 8.290 nan 0.000 0.537 653 K N 1.117 121.414 120.400 -0.171 0.000 2.185 653 K HA 0.472 4.792 4.320 0.001 0.000 0.271 653 K C -0.171 176.249 176.600 -0.300 0.000 1.013 653 K CA -0.336 55.862 56.287 -0.148 0.000 0.943 653 K CB 0.683 33.316 32.500 0.223 0.000 0.998 653 K HN 0.419 nan 8.250 nan 0.000 0.468 654 H N -0.135 118.841 119.070 -0.157 0.000 2.469 654 H HA 0.600 5.157 4.556 0.001 0.000 0.342 654 H C -0.557 174.726 175.328 -0.074 0.000 1.115 654 H CA -0.782 55.071 56.048 -0.324 0.000 1.204 654 H CB 1.863 31.340 29.762 -0.475 0.000 1.492 654 H HN 0.665 nan 8.280 nan 0.000 0.499 655 A N 2.826 125.683 122.820 0.061 0.000 2.520 655 A HA 0.461 4.781 4.320 0.001 0.000 0.298 655 A C -1.465 176.191 177.584 0.120 0.000 1.051 655 A CA -0.657 51.452 52.037 0.120 0.000 0.690 655 A CB 1.797 20.823 19.000 0.043 0.000 1.281 655 A HN 0.487 nan 8.150 nan 0.000 0.402 656 L N 1.937 123.224 121.223 0.107 0.000 2.309 656 L HA 0.881 5.221 4.340 0.001 0.000 0.282 656 L C -0.621 176.241 176.870 -0.014 0.000 1.036 656 L CA -0.178 54.696 54.840 0.057 0.000 0.806 656 L CB 0.920 43.005 42.059 0.044 0.000 1.220 656 L HN 0.710 nan 8.230 nan 0.000 0.429 657 M N 4.868 124.436 119.600 -0.052 0.000 2.165 657 M HA 0.365 4.845 4.480 0.001 0.000 0.283 657 M C -0.729 175.532 176.300 -0.064 0.000 0.978 657 M CA -0.530 54.720 55.300 -0.082 0.000 0.948 657 M CB 2.162 34.693 32.600 -0.114 0.000 1.599 657 M HN 0.781 nan 8.290 nan 0.000 0.450 658 T N -1.017 113.524 114.554 -0.020 0.000 2.855 658 T HA 0.757 5.108 4.350 0.001 0.000 0.281 658 T C 0.811 175.585 174.700 0.123 0.000 1.007 658 T CA 0.313 62.439 62.100 0.043 0.000 1.009 658 T CB 1.775 70.681 68.868 0.063 0.000 0.983 658 T HN 1.027 nan 8.240 nan 0.000 0.455 659 G N 1.312 110.197 108.800 0.142 0.000 2.131 659 G HA2 -0.002 3.959 3.960 0.001 0.000 0.223 659 G HA3 -0.002 3.959 3.960 0.001 0.000 0.223 659 G C 0.504 175.492 174.900 0.146 0.000 0.990 659 G CA -0.206 44.995 45.100 0.170 0.000 0.671 659 G HN 1.588 nan 8.290 nan 0.000 0.521 660 A N 0.553 123.446 122.820 0.121 0.000 2.840 660 A HA 0.665 4.986 4.320 0.001 0.000 0.269 660 A C 1.501 179.199 177.584 0.190 0.000 1.439 660 A CA 1.120 53.240 52.037 0.138 0.000 1.083 660 A CB -0.524 18.566 19.000 0.149 0.000 1.019 660 A HN 1.753 nan 8.150 nan 0.000 0.607 661 G N -0.397 108.464 108.800 0.101 0.000 2.664 661 G HA2 0.445 4.405 3.960 0.001 0.000 0.242 661 G HA3 0.445 4.405 3.960 0.001 0.000 0.242 661 G C 0.573 175.380 174.900 -0.155 0.000 1.225 661 G CA 0.059 45.147 45.100 -0.021 0.000 0.849 661 G HN 1.110 nan 8.290 nan 0.000 0.581 662 A N -0.268 122.254 122.820 -0.497 0.000 2.567 662 A HA 0.499 4.819 4.320 0.001 0.000 0.240 662 A C 1.655 179.165 177.584 -0.124 0.000 1.053 662 A CA 1.152 52.852 52.037 -0.562 0.000 0.755 662 A CB -0.553 17.934 19.000 -0.855 0.000 0.978 662 A HN 2.671 nan 8.150 nan 0.000 0.507 663 G N 1.780 110.602 108.800 0.037 0.000 2.273 663 G HA2 -0.026 3.934 3.960 0.001 0.000 0.280 663 G HA3 -0.026 3.934 3.960 0.001 0.000 0.280 663 G C 0.334 175.264 174.900 0.051 0.000 1.047 663 G CA 0.998 46.128 45.100 0.051 0.000 0.869 663 G HN 2.292 nan 8.290 nan 0.000 0.502 664 S N -1.619 114.119 115.700 0.064 0.000 2.677 664 S HA 0.756 5.227 4.470 0.001 0.000 0.304 664 S C 1.465 176.128 174.600 0.105 0.000 1.108 664 S CA -0.444 57.807 58.200 0.085 0.000 0.944 664 S CB 1.818 65.072 63.200 0.090 0.000 1.127 664 S HN 0.216 nan 8.310 nan 0.000 0.511 665 I N 1.202 121.860 120.570 0.146 0.000 2.118 665 I HA -0.148 4.022 4.170 0.001 0.000 0.241 665 I C 2.779 178.940 176.117 0.073 0.000 1.070 665 I CA 1.889 63.285 61.300 0.161 0.000 1.327 665 I CB -1.191 36.980 38.000 0.284 0.000 1.034 665 I HN 0.951 nan 8.210 nan 0.000 0.405 666 G N 0.560 109.396 108.800 0.059 0.000 2.505 666 G HA2 -0.324 3.637 3.960 0.001 0.000 0.220 666 G HA3 -0.324 3.637 3.960 0.001 0.000 0.220 666 G C 1.841 176.710 174.900 -0.052 0.000 1.145 666 G CA 1.073 46.091 45.100 -0.137 0.000 0.761 666 G HN 0.539 nan 8.290 nan 0.000 0.571 667 A N 0.467 123.313 122.820 0.044 0.000 1.908 667 A HA -0.069 4.252 4.320 0.001 0.000 0.218 667 A C 2.288 179.888 177.584 0.027 0.000 1.181 667 A CA 2.067 54.158 52.037 0.089 0.000 0.627 667 A CB -0.316 18.764 19.000 0.132 0.000 0.818 667 A HN 0.327 nan 8.150 nan 0.000 0.445 668 E N -0.196 120.009 120.200 0.009 0.000 2.028 668 E HA -0.100 4.250 4.350 0.001 0.000 0.191 668 E C 2.261 178.800 176.600 -0.101 0.000 0.988 668 E CA 1.316 57.705 56.400 -0.019 0.000 0.799 668 E CB -0.778 28.939 29.700 0.029 0.000 0.755 668 E HN 0.366 nan 8.360 nan 0.000 0.447 669 V N 2.127 121.961 119.914 -0.133 0.000 2.380 669 V HA -0.272 3.848 4.120 0.001 0.000 0.251 669 V C 2.542 178.476 176.094 -0.266 0.000 1.063 669 V CA 1.644 63.801 62.300 -0.239 0.000 1.055 669 V CB -0.702 30.940 31.823 -0.301 0.000 0.657 669 V HN 0.161 nan 8.190 nan 0.000 0.455 670 L N 0.541 121.659 121.223 -0.175 0.000 1.955 670 L HA -0.255 4.086 4.340 0.001 0.000 0.213 670 L C 2.596 179.391 176.870 -0.124 0.000 1.072 670 L CA 2.140 56.905 54.840 -0.125 0.000 0.755 670 L CB -0.886 41.175 42.059 0.003 0.000 0.888 670 L HN 0.387 nan 8.230 nan 0.000 0.432 671 Q N -0.314 119.427 119.800 -0.097 0.000 2.152 671 Q HA -0.179 4.161 4.340 0.001 0.000 0.206 671 Q C 2.083 178.001 176.000 -0.137 0.000 0.985 671 Q CA 1.364 57.112 55.803 -0.093 0.000 0.863 671 Q CB -0.833 27.856 28.738 -0.082 0.000 0.904 671 Q HN 0.755 nan 8.270 nan 0.000 0.422 672 G N 1.839 110.476 108.800 -0.273 0.000 2.679 672 G HA2 -0.285 3.675 3.960 0.001 0.000 0.217 672 G HA3 -0.285 3.675 3.960 0.001 0.000 0.217 672 G C 1.301 176.078 174.900 -0.206 0.000 1.267 672 G CA 1.217 46.022 45.100 -0.491 0.000 0.799 672 G HN 0.217 nan 8.290 nan 0.000 0.606 673 L N 0.404 121.429 121.223 -0.329 0.000 2.187 673 L HA -0.001 4.339 4.340 0.001 0.000 0.213 673 L C 2.767 179.601 176.870 -0.060 0.000 1.100 673 L CA 0.654 55.293 54.840 -0.335 0.000 0.765 673 L CB -0.381 41.311 42.059 -0.612 0.000 0.904 673 L HN 0.174 nan 8.230 nan 0.000 0.437 674 L N -1.705 119.487 121.223 -0.052 0.000 2.217 674 L HA -0.124 4.217 4.340 0.001 0.000 0.211 674 L C 2.452 179.332 176.870 0.016 0.000 1.107 674 L CA 0.719 55.565 54.840 0.009 0.000 0.783 674 L CB -0.296 41.770 42.059 0.013 0.000 0.919 674 L HN 0.206 nan 8.230 nan 0.000 0.442 675 S N -0.474 115.252 115.700 0.043 0.000 2.414 675 S HA 0.035 4.506 4.470 0.001 0.000 0.227 675 S C 1.162 175.831 174.600 0.114 0.000 1.022 675 S CA 0.512 58.755 58.200 0.073 0.000 0.958 675 S CB -0.150 63.122 63.200 0.120 0.000 0.797 675 S HN 0.500 nan 8.310 nan 0.000 0.493 676 G N 0.021 108.941 108.800 0.200 0.000 2.651 676 G HA2 0.422 4.383 3.960 0.001 0.000 0.260 676 G HA3 0.422 4.383 3.960 0.001 0.000 0.260 676 G C 0.692 175.675 174.900 0.138 0.000 1.216 676 G CA -0.187 45.030 45.100 0.194 0.000 0.913 676 G HN 0.340 nan 8.290 nan 0.000 0.535 677 G N -0.673 108.191 108.800 0.106 0.000 3.340 677 G HA2 0.425 4.386 3.960 0.001 0.000 0.240 677 G HA3 0.425 4.386 3.960 0.001 0.000 0.240 677 G C 0.641 175.577 174.900 0.060 0.000 1.327 677 G CA 0.642 45.786 45.100 0.072 0.000 1.170 677 G HN 0.888 nan 8.290 nan 0.000 0.520 678 A N 0.579 123.441 122.820 0.070 0.000 2.366 678 A HA 0.559 4.879 4.320 0.001 0.000 0.272 678 A C 0.376 177.957 177.584 -0.006 0.000 1.135 678 A CA -0.391 51.649 52.037 0.005 0.000 0.804 678 A CB 0.584 19.547 19.000 -0.062 0.000 1.064 678 A HN 0.339 nan 8.150 nan 0.000 0.499 679 K N 1.509 121.862 120.400 -0.079 0.000 2.248 679 K HA 0.488 4.808 4.320 0.001 0.000 0.281 679 K C -0.565 175.915 176.600 -0.200 0.000 1.054 679 K CA -0.343 55.864 56.287 -0.133 0.000 0.903 679 K CB 1.315 33.618 32.500 -0.329 0.000 1.077 679 K HN 0.599 nan 8.250 nan 0.000 0.474 680 V N 0.807 120.750 119.914 0.048 0.000 2.876 680 V HA 0.566 4.686 4.120 0.001 0.000 0.312 680 V C -0.542 175.760 176.094 0.347 0.000 1.085 680 V CA -1.143 61.246 62.300 0.148 0.000 0.945 680 V CB 1.848 33.688 31.823 0.028 0.000 1.017 680 V HN 0.748 nan 8.190 nan 0.000 0.428 681 I N 3.423 124.206 120.570 0.355 0.000 2.339 681 I HA 0.653 4.824 4.170 0.001 0.000 0.290 681 I C -0.876 175.246 176.117 0.009 0.000 0.994 681 I CA -0.610 60.780 61.300 0.150 0.000 1.191 681 I CB 1.374 39.407 38.000 0.055 0.000 1.343 681 I HN 0.614 nan 8.210 nan 0.000 0.458 682 V N 5.848 125.718 119.914 -0.075 0.000 2.483 682 V HA 0.448 4.568 4.120 0.001 0.000 0.295 682 V C 0.273 176.269 176.094 -0.164 0.000 1.035 682 V CA -0.507 61.699 62.300 -0.157 0.000 0.896 682 V CB 1.891 33.519 31.823 -0.325 0.000 0.986 682 V HN 0.807 nan 8.190 nan 0.000 0.447 683 T N 0.610 115.103 114.554 -0.101 0.000 2.824 683 T HA 0.619 4.970 4.350 0.001 0.000 0.280 683 T C -0.311 174.442 174.700 0.087 0.000 0.995 683 T CA -0.518 61.584 62.100 0.004 0.000 1.009 683 T CB 1.550 70.415 68.868 -0.006 0.000 0.955 683 T HN 0.565 nan 8.240 nan 0.000 0.452 684 T N 1.719 116.365 114.554 0.154 0.000 2.848 684 T HA 0.448 4.798 4.350 0.001 0.000 0.285 684 T C 1.083 175.913 174.700 0.217 0.000 0.995 684 T CA -0.518 61.689 62.100 0.178 0.000 0.970 684 T CB 1.518 70.475 68.868 0.150 0.000 0.976 684 T HN 0.860 nan 8.240 nan 0.000 0.441 685 S N 3.436 119.233 115.700 0.161 0.000 2.575 685 S HA 0.180 4.650 4.470 0.001 0.000 0.215 685 S C 0.756 175.411 174.600 0.091 0.000 0.966 685 S CA -0.210 58.053 58.200 0.106 0.000 0.911 685 S CB 0.041 63.273 63.200 0.053 0.000 0.780 685 S HN 0.626 nan 8.310 nan 0.000 0.514 686 R N 0.648 121.219 120.500 0.118 0.000 2.718 686 R HA 0.256 4.596 4.340 0.001 0.000 0.307 686 R C -1.209 175.188 176.300 0.161 0.000 1.244 686 R CA -0.435 55.726 56.100 0.102 0.000 1.348 686 R CB 0.006 30.335 30.300 0.048 0.000 1.304 686 R HN 0.476 nan 8.270 nan 0.000 0.663 687 F N 2.197 122.169 119.950 0.036 0.000 2.506 687 F HA 0.032 4.559 4.527 0.001 0.000 0.353 687 F C 0.003 175.823 175.800 0.034 0.000 1.194 687 F CA 0.390 58.418 58.000 0.046 0.000 1.048 687 F CB 0.355 39.372 39.000 0.028 0.000 1.160 687 F HN 0.109 nan 8.300 nan 0.000 0.598 688 S N 5.584 121.401 115.700 0.195 0.000 2.748 688 S HA 0.374 4.844 4.470 0.001 0.000 0.299 688 S C 1.130 175.800 174.600 0.118 0.000 1.119 688 S CA -0.975 57.329 58.200 0.173 0.000 0.997 688 S CB 1.684 64.926 63.200 0.070 0.000 1.223 688 S HN 0.784 nan 8.310 nan 0.000 0.541 689 R N 0.573 121.133 120.500 0.100 0.000 2.062 689 R HA -0.026 4.315 4.340 0.001 0.000 0.226 689 R C 2.295 178.602 176.300 0.012 0.000 1.125 689 R CA 1.124 57.260 56.100 0.060 0.000 0.966 689 R CB -0.393 29.942 30.300 0.058 0.000 0.861 689 R HN 0.732 nan 8.270 nan 0.000 0.433 690 Q N 0.515 120.321 119.800 0.010 0.000 2.096 690 Q HA -0.151 4.190 4.340 0.001 0.000 0.204 690 Q C 1.923 177.909 176.000 -0.024 0.000 0.982 690 Q CA 2.152 57.948 55.803 -0.010 0.000 0.850 690 Q CB 0.035 28.764 28.738 -0.015 0.000 0.901 690 Q HN 0.321 nan 8.270 nan 0.000 0.422 691 V N 0.467 120.354 119.914 -0.046 0.000 2.358 691 V HA -0.220 3.900 4.120 0.001 0.000 0.246 691 V C 2.383 178.503 176.094 0.043 0.000 1.047 691 V CA 2.052 64.314 62.300 -0.062 0.000 1.035 691 V CB -0.868 30.920 31.823 -0.058 0.000 0.658 691 V HN 0.440 nan 8.190 nan 0.000 0.452 692 T N -0.318 114.197 114.554 -0.065 0.000 2.635 692 T HA -0.252 4.099 4.350 0.001 0.000 0.267 692 T C 1.840 176.574 174.700 0.058 0.000 1.040 692 T CA 2.031 64.121 62.100 -0.017 0.000 1.156 692 T CB -0.235 68.587 68.868 -0.078 0.000 0.863 692 T HN 0.593 nan 8.240 nan 0.000 0.430 693 E N -0.396 119.799 120.200 -0.008 0.000 2.051 693 E HA -0.153 4.197 4.350 0.001 0.000 0.192 693 E C 1.923 178.449 176.600 -0.123 0.000 0.991 693 E CA 1.247 57.597 56.400 -0.085 0.000 0.799 693 E CB -0.331 29.324 29.700 -0.075 0.000 0.748 693 E HN 0.620 nan 8.360 nan 0.000 0.449 694 Y N 0.773 120.943 120.300 -0.216 0.000 2.002 694 Y HA -0.396 4.154 4.550 0.001 0.000 0.268 694 Y C 2.036 177.738 175.900 -0.329 0.000 1.177 694 Y CA 2.194 60.115 58.100 -0.298 0.000 1.111 694 Y CB -0.714 37.512 38.460 -0.390 0.000 0.952 694 Y HN 0.091 nan 8.280 nan 0.000 0.491 695 Y N 0.310 120.624 120.300 0.022 0.000 2.333 695 Y HA -0.301 4.249 4.550 0.001 0.000 0.290 695 Y C 2.738 178.384 175.900 -0.422 0.000 1.144 695 Y CA 1.399 59.427 58.100 -0.121 0.000 1.228 695 Y CB -0.577 37.938 38.460 0.092 0.000 0.985 695 Y HN 0.406 nan 8.280 nan 0.000 0.542 696 Q N 0.522 120.011 119.800 -0.518 0.000 2.020 696 Q HA -0.105 4.235 4.340 0.001 0.000 0.202 696 Q C 2.484 178.136 176.000 -0.581 0.000 0.982 696 Q CA 2.081 57.371 55.803 -0.856 0.000 0.838 696 Q CB -1.050 27.216 28.738 -0.787 0.000 0.899 696 Q HN 0.339 nan 8.270 nan 0.000 0.423 697 G N 1.349 109.856 108.800 -0.489 0.000 2.513 697 G HA2 -0.275 3.685 3.960 0.001 0.000 0.219 697 G HA3 -0.275 3.685 3.960 0.001 0.000 0.219 697 G C 1.490 176.135 174.900 -0.424 0.000 1.160 697 G CA 1.283 46.111 45.100 -0.453 0.000 0.767 697 G HN 0.419 nan 8.290 nan 0.000 0.571 698 I N -0.878 119.431 120.570 -0.435 0.000 2.058 698 I HA -0.224 3.947 4.170 0.001 0.000 0.235 698 I C 2.431 178.423 176.117 -0.208 0.000 1.053 698 I CA 1.699 62.808 61.300 -0.319 0.000 1.313 698 I CB -0.493 37.341 38.000 -0.277 0.000 1.039 698 I HN 0.225 nan 8.210 nan 0.000 0.396 699 Y N 1.631 121.770 120.300 -0.268 0.000 2.298 699 Y HA -0.293 4.258 4.550 0.001 0.000 0.287 699 Y C 2.396 178.156 175.900 -0.234 0.000 1.164 699 Y CA 1.340 59.332 58.100 -0.180 0.000 1.229 699 Y CB -0.249 38.139 38.460 -0.120 0.000 0.977 699 Y HN 0.192 nan 8.280 nan 0.000 0.538 700 A N -0.077 122.507 122.820 -0.393 0.000 2.015 700 A HA -0.106 4.215 4.320 0.001 0.000 0.219 700 A C 2.135 179.547 177.584 -0.286 0.000 1.163 700 A CA 1.613 53.296 52.037 -0.591 0.000 0.646 700 A CB -0.277 18.214 19.000 -0.847 0.000 0.806 700 A HN 0.536 nan 8.150 nan 0.000 0.448 701 R N -2.801 117.542 120.500 -0.262 0.000 2.446 701 R HA 0.207 4.548 4.340 0.001 0.000 0.254 701 R C 0.879 177.086 176.300 -0.155 0.000 0.918 701 R CA 0.533 56.527 56.100 -0.176 0.000 1.069 701 R CB 0.257 30.453 30.300 -0.173 0.000 1.194 701 R HN 0.520 nan 8.270 nan 0.000 0.534 702 C N -0.960 118.219 119.300 -0.201 0.000 3.294 702 C HA 0.267 4.727 4.460 0.001 0.000 0.441 702 C C 1.430 176.290 174.990 -0.217 0.000 1.364 702 C CA -0.516 58.408 59.018 -0.157 0.000 2.059 702 C CB 0.178 27.848 27.740 -0.118 0.000 2.925 702 C HN 0.484 nan 8.230 nan 0.000 0.633 703 G N 2.075 110.596 108.800 -0.465 0.000 2.472 703 G HA2 0.425 4.385 3.960 0.001 0.000 0.291 703 G HA3 0.425 4.385 3.960 0.001 0.000 0.291 703 G C 0.426 175.125 174.900 -0.334 0.000 0.898 703 G CA 0.758 45.423 45.100 -0.725 0.000 1.645 703 G HN 0.677 nan 8.290 nan 0.000 0.459 704 A N 3.505 126.245 122.820 -0.133 0.000 2.346 704 A HA 0.507 4.827 4.320 0.001 0.000 0.252 704 A C 1.132 178.723 177.584 0.011 0.000 1.089 704 A CA -0.581 51.435 52.037 -0.036 0.000 0.797 704 A CB 0.293 19.297 19.000 0.007 0.000 1.047 704 A HN 0.784 nan 8.150 nan 0.000 0.494 705 R N -0.372 120.153 120.500 0.040 0.000 2.566 705 R HA 0.191 4.531 4.340 0.001 0.000 0.273 705 R C 1.401 177.750 176.300 0.081 0.000 0.981 705 R CA 1.663 57.808 56.100 0.074 0.000 1.091 705 R CB -0.260 30.079 30.300 0.065 0.000 0.924 705 R HN 1.717 nan 8.270 nan 0.000 0.411 706 G N 1.927 110.792 108.800 0.109 0.000 2.267 706 G HA2 -0.369 3.591 3.960 0.001 0.000 0.257 706 G HA3 -0.369 3.591 3.960 0.001 0.000 0.257 706 G C 0.137 175.109 174.900 0.120 0.000 0.998 706 G CA 0.496 45.655 45.100 0.098 0.000 0.620 706 G HN 0.877 nan 8.290 nan 0.000 0.529 707 S N -0.539 115.252 115.700 0.153 0.000 2.589 707 S HA 0.607 5.078 4.470 0.001 0.000 0.265 707 S C -0.109 174.696 174.600 0.342 0.000 1.342 707 S CA 0.914 59.240 58.200 0.209 0.000 1.005 707 S CB 1.894 65.210 63.200 0.193 0.000 0.909 707 S HN 1.093 nan 8.310 nan 0.000 0.555 708 Q N 0.278 120.272 119.800 0.322 0.000 2.352 708 Q HA 0.519 4.860 4.340 0.001 0.000 0.270 708 Q C -2.111 173.996 176.000 0.179 0.000 1.006 708 Q CA -0.549 55.389 55.803 0.225 0.000 0.880 708 Q CB 1.606 30.461 28.738 0.194 0.000 1.392 708 Q HN 0.834 nan 8.270 nan 0.000 0.401 709 L N 3.952 125.153 121.223 -0.037 0.000 2.341 709 L HA 0.714 5.055 4.340 0.001 0.000 0.278 709 L C -1.387 175.484 176.870 0.003 0.000 1.005 709 L CA -0.865 54.012 54.840 0.062 0.000 0.818 709 L CB 1.954 44.091 42.059 0.130 0.000 1.259 709 L HN 0.510 nan 8.230 nan 0.000 0.418 710 V N 5.538 125.472 119.914 0.032 0.000 2.398 710 V HA 0.315 4.435 4.120 0.001 0.000 0.282 710 V C -0.083 175.958 176.094 -0.089 0.000 1.014 710 V CA -0.557 61.702 62.300 -0.068 0.000 0.838 710 V CB 1.866 33.655 31.823 -0.058 0.000 1.018 710 V HN 0.472 nan 8.190 nan 0.000 0.432 711 V N 4.899 124.722 119.914 -0.153 0.000 2.716 711 V HA 0.772 4.893 4.120 0.001 0.000 0.304 711 V C -0.092 175.975 176.094 -0.045 0.000 1.053 711 V CA -0.610 61.587 62.300 -0.171 0.000 0.984 711 V CB 1.925 33.599 31.823 -0.249 0.000 1.021 711 V HN 0.521 nan 8.190 nan 0.000 0.467 712 V N 3.566 123.504 119.914 0.041 0.000 3.023 712 V HA 0.398 4.519 4.120 0.001 0.000 0.294 712 V C -2.748 173.548 176.094 0.338 0.000 1.324 712 V CA -1.234 61.187 62.300 0.201 0.000 0.979 712 V CB 3.079 35.009 31.823 0.178 0.000 1.093 712 V HN 0.796 nan 8.190 nan 0.000 0.434 713 P HA 0.601 nan 4.420 nan 0.000 0.278 713 P C -1.347 176.207 177.300 0.423 0.000 1.238 713 P CA -0.203 63.125 63.100 0.380 0.000 0.794 713 P CB 0.663 32.411 31.700 0.081 0.000 0.955 714 F N 0.927 120.967 119.950 0.150 0.000 2.725 714 F HA 0.367 4.895 4.527 0.001 0.000 0.311 714 F C -2.051 173.782 175.800 0.055 0.000 1.121 714 F CA -0.590 57.481 58.000 0.118 0.000 0.978 714 F CB 1.588 40.641 39.000 0.089 0.000 1.274 714 F HN 0.301 nan 8.300 nan 0.000 0.440 715 N N 5.239 123.355 118.700 -0.973 0.000 2.576 715 N HA 0.140 4.880 4.740 0.001 0.000 0.269 715 N C -0.271 174.597 175.510 -1.069 0.000 1.058 715 N CA -0.268 52.346 53.050 -0.727 0.000 0.860 715 N CB 1.827 40.085 38.487 -0.382 0.000 1.249 715 N HN 0.979 nan 8.380 nan 0.000 0.525 716 Q N 2.378 121.722 119.800 -0.761 0.000 2.437 716 Q HA -0.012 4.329 4.340 0.001 0.000 0.210 716 Q C 1.514 177.379 176.000 -0.225 0.000 0.972 716 Q CA 1.128 56.722 55.803 -0.350 0.000 0.903 716 Q CB 0.059 28.888 28.738 0.151 0.000 0.967 716 Q HN 0.813 nan 8.270 nan 0.000 0.486 717 G N -0.247 108.398 108.800 -0.257 0.000 2.776 717 G HA2 -0.100 3.860 3.960 0.001 0.000 0.209 717 G HA3 -0.100 3.860 3.960 0.001 0.000 0.209 717 G C 0.272 175.024 174.900 -0.247 0.000 1.145 717 G CA 0.364 45.329 45.100 -0.225 0.000 0.791 717 G HN 0.230 nan 8.290 nan 0.000 0.530 718 S N -0.197 115.336 115.700 -0.278 0.000 2.498 718 S HA 0.310 4.780 4.470 0.001 0.000 0.324 718 S C 1.231 175.732 174.600 -0.165 0.000 1.071 718 S CA -0.570 57.493 58.200 -0.229 0.000 1.113 718 S CB 1.327 64.379 63.200 -0.246 0.000 0.976 718 S HN 0.302 nan 8.310 nan 0.000 0.462 719 K N 3.902 124.233 120.400 -0.115 0.000 2.089 719 K HA -0.232 4.088 4.320 0.001 0.000 0.210 719 K C 1.672 178.235 176.600 -0.063 0.000 1.048 719 K CA 2.024 58.267 56.287 -0.073 0.000 0.926 719 K CB -0.154 32.310 32.500 -0.059 0.000 0.714 719 K HN 0.789 nan 8.250 nan 0.000 0.448 720 Q N 0.132 119.887 119.800 -0.075 0.000 2.046 720 Q HA -0.167 4.174 4.340 0.001 0.000 0.200 720 Q C 1.881 177.865 176.000 -0.027 0.000 0.975 720 Q CA 1.599 57.372 55.803 -0.051 0.000 0.836 720 Q CB -0.114 28.588 28.738 -0.059 0.000 0.896 720 Q HN 0.384 nan 8.270 nan 0.000 0.428 721 D N 0.164 120.535 120.400 -0.048 0.000 2.092 721 D HA -0.147 4.493 4.640 0.001 0.000 0.193 721 D C 2.004 178.375 176.300 0.118 0.000 0.994 721 D CA 0.980 54.981 54.000 0.001 0.000 0.828 721 D CB -0.300 40.363 40.800 -0.229 0.000 0.963 721 D HN -0.012 nan 8.370 nan 0.000 0.450 722 V N 0.820 120.817 119.914 0.139 0.000 2.220 722 V HA -0.306 3.814 4.120 0.001 0.000 0.250 722 V C 2.269 178.372 176.094 0.015 0.000 1.056 722 V CA 2.193 64.606 62.300 0.187 0.000 1.016 722 V CB -0.569 31.306 31.823 0.086 0.000 0.639 722 V HN 0.238 nan 8.190 nan 0.000 0.446 723 E N -0.387 119.797 120.200 -0.025 0.000 2.204 723 E HA -0.122 4.229 4.350 0.001 0.000 0.195 723 E C 2.198 178.754 176.600 -0.074 0.000 0.990 723 E CA 1.121 57.484 56.400 -0.061 0.000 0.821 723 E CB -0.318 29.349 29.700 -0.055 0.000 0.750 723 E HN 0.637 nan 8.360 nan 0.000 0.477 724 A N 1.077 123.854 122.820 -0.071 0.000 1.854 724 A HA -0.121 4.200 4.320 0.001 0.000 0.214 724 A C 2.115 179.483 177.584 -0.360 0.000 1.192 724 A CA 0.722 52.709 52.037 -0.082 0.000 0.611 724 A CB -0.670 18.369 19.000 0.066 0.000 0.832 724 A HN 0.271 nan 8.150 nan 0.000 0.442 725 L N 0.111 120.942 121.223 -0.653 0.000 1.971 725 L HA -0.220 4.121 4.340 0.001 0.000 0.215 725 L C 2.481 179.134 176.870 -0.363 0.000 1.072 725 L CA 2.172 56.479 54.840 -0.888 0.000 0.758 725 L CB -0.430 41.246 42.059 -0.638 0.000 0.889 725 L HN 0.259 nan 8.230 nan 0.000 0.433 726 V N 0.620 120.406 119.914 -0.214 0.000 2.324 726 V HA -0.351 3.770 4.120 0.001 0.000 0.250 726 V C 2.273 178.362 176.094 -0.008 0.000 1.060 726 V CA 2.212 64.457 62.300 -0.092 0.000 1.042 726 V CB -0.930 30.816 31.823 -0.129 0.000 0.650 726 V HN 0.560 nan 8.190 nan 0.000 0.450 727 N N -0.852 117.829 118.700 -0.032 0.000 2.142 727 N HA -0.167 4.573 4.740 0.001 0.000 0.186 727 N C 1.734 177.303 175.510 0.098 0.000 1.023 727 N CA 1.526 54.596 53.050 0.032 0.000 0.852 727 N CB -0.561 37.941 38.487 0.025 0.000 0.998 727 N HN 0.622 nan 8.380 nan 0.000 0.424 728 Y N 2.019 122.307 120.300 -0.020 0.000 2.165 728 Y HA -0.109 4.441 4.550 0.001 0.000 0.286 728 Y C 2.136 177.988 175.900 -0.080 0.000 1.155 728 Y CA 1.266 59.374 58.100 0.013 0.000 1.164 728 Y CB -0.468 38.094 38.460 0.170 0.000 0.978 728 Y HN -0.005 nan 8.280 nan 0.000 0.513 729 I N -1.233 119.271 120.570 -0.109 0.000 2.208 729 I HA -0.370 3.800 4.170 0.001 0.000 0.245 729 I C 1.591 177.589 176.117 -0.197 0.000 1.097 729 I CA 1.909 63.069 61.300 -0.233 0.000 1.363 729 I CB -0.551 37.463 38.000 0.023 0.000 1.051 729 I HN 0.250 nan 8.210 nan 0.000 0.413 730 Y N -0.254 119.972 120.300 -0.124 0.000 2.509 730 Y HA 0.054 4.604 4.550 0.001 0.000 0.270 730 Y C 0.879 176.752 175.900 -0.045 0.000 1.103 730 Y CA -0.607 57.478 58.100 -0.025 0.000 1.278 730 Y CB 0.173 38.651 38.460 0.030 0.000 1.087 730 Y HN 0.050 nan 8.280 nan 0.000 0.542 731 D N 0.674 121.099 120.400 0.042 0.000 2.472 731 D HA -0.075 4.565 4.640 0.001 0.000 0.248 731 D C 1.428 177.708 176.300 -0.034 0.000 1.174 731 D CA 0.780 54.787 54.000 0.011 0.000 0.883 731 D CB 1.134 41.938 40.800 0.007 0.000 1.149 731 D HN 0.321 nan 8.370 nan 0.000 0.488 732 T N 1.861 116.419 114.554 0.006 0.000 2.737 732 T HA -0.172 4.179 4.350 0.001 0.000 0.265 732 T C 1.555 176.243 174.700 -0.021 0.000 1.038 732 T CA 1.164 63.265 62.100 0.001 0.000 1.144 732 T CB -0.082 68.805 68.868 0.031 0.000 0.866 732 T HN 0.359 nan 8.240 nan 0.000 0.434 733 K N 1.086 121.479 120.400 -0.011 0.000 1.974 733 K HA 0.110 4.430 4.320 0.001 0.000 0.211 733 K C 2.309 178.898 176.600 -0.018 0.000 1.039 733 K CA 1.489 57.770 56.287 -0.010 0.000 0.947 733 K CB -0.083 32.417 32.500 -0.001 0.000 0.735 733 K HN 0.230 nan 8.250 nan 0.000 0.441 734 N N -0.041 118.654 118.700 -0.008 0.000 2.325 734 N HA 0.057 4.798 4.740 0.001 0.000 0.182 734 N C 0.616 176.129 175.510 0.005 0.000 1.088 734 N CA 0.313 53.368 53.050 0.008 0.000 0.879 734 N CB 0.529 39.035 38.487 0.032 0.000 0.983 734 N HN 0.185 nan 8.380 nan 0.000 0.471 735 G N 0.524 109.279 108.800 -0.074 0.000 2.508 735 G HA2 0.337 4.297 3.960 0.001 0.000 0.278 735 G HA3 0.337 4.297 3.960 0.001 0.000 0.278 735 G C 0.812 175.408 174.900 -0.507 0.000 1.389 735 G CA -0.499 44.421 45.100 -0.300 0.000 1.050 735 G HN 0.234 nan 8.290 nan 0.000 0.522 736 L N -1.639 119.043 121.223 -0.902 0.000 2.685 736 L HA 0.425 4.766 4.340 0.001 0.000 0.233 736 L C 1.144 177.645 176.870 -0.614 0.000 1.173 736 L CA 0.336 54.698 54.840 -0.796 0.000 0.961 736 L CB -0.476 40.900 42.059 -1.139 0.000 1.217 736 L HN 0.801 nan 8.230 nan 0.000 0.478 737 G N 0.826 109.399 108.800 -0.379 0.000 2.385 737 G HA2 -0.261 3.700 3.960 0.001 0.000 0.284 737 G HA3 -0.261 3.700 3.960 0.001 0.000 0.284 737 G C -0.220 174.654 174.900 -0.043 0.000 0.899 737 G CA 0.373 45.382 45.100 -0.151 0.000 1.204 737 G HN 0.560 nan 8.290 nan 0.000 0.486 738 W N -0.694 120.348 121.300 -0.431 0.000 2.380 738 W HA 0.735 5.396 4.660 0.001 0.000 0.441 738 W C 0.240 176.352 176.519 -0.677 0.000 1.762 738 W CA -1.101 55.895 57.345 -0.581 0.000 1.905 738 W CB 0.887 29.938 29.460 -0.682 0.000 1.624 738 W HN 0.207 nan 8.180 nan 0.000 0.717 739 D N -0.106 120.120 120.400 -0.290 0.000 2.934 739 D HA 0.371 5.011 4.640 0.001 0.000 0.230 739 D C -1.382 174.885 176.300 -0.055 0.000 1.204 739 D CA -0.428 53.355 54.000 -0.361 0.000 0.873 739 D CB 1.488 42.062 40.800 -0.376 0.000 1.645 739 D HN 0.141 nan 8.370 nan 0.000 0.502 740 L N 2.841 124.104 121.223 0.067 0.000 2.326 740 L HA 0.334 4.675 4.340 0.001 0.000 0.278 740 L C 0.836 177.759 176.870 0.088 0.000 1.092 740 L CA -0.486 54.438 54.840 0.140 0.000 0.810 740 L CB 1.232 43.418 42.059 0.212 0.000 1.153 740 L HN 0.423 nan 8.230 nan 0.000 0.439 741 D N 0.933 121.361 120.400 0.046 0.000 2.394 741 D HA 0.078 4.719 4.640 0.001 0.000 0.226 741 D C -0.432 175.686 176.300 -0.302 0.000 0.990 741 D CA 1.050 54.969 54.000 -0.135 0.000 0.902 741 D CB 0.517 41.221 40.800 -0.159 0.000 1.038 741 D HN 0.279 nan 8.370 nan 0.000 0.499 742 Y N -0.297 120.006 120.300 0.004 0.000 2.536 742 Y HA 0.539 5.090 4.550 0.001 0.000 0.347 742 Y C -0.255 175.646 175.900 0.002 0.000 1.000 742 Y CA -1.060 57.033 58.100 -0.011 0.000 1.051 742 Y CB 2.485 40.895 38.460 -0.084 0.000 1.259 742 Y HN -0.432 nan 8.280 nan 0.000 0.468 743 V N 2.812 122.826 119.914 0.167 0.000 2.525 743 V HA 0.422 4.542 4.120 0.001 0.000 0.299 743 V C -1.121 175.024 176.094 0.084 0.000 1.034 743 V CA -0.826 61.533 62.300 0.099 0.000 0.863 743 V CB 1.886 33.757 31.823 0.079 0.000 0.999 743 V HN 0.557 nan 8.190 nan 0.000 0.423 744 V N 6.820 126.756 119.914 0.035 0.000 2.315 744 V HA 0.303 4.423 4.120 0.001 0.000 0.265 744 V C -2.465 173.713 176.094 0.140 0.000 1.019 744 V CA -1.465 60.845 62.300 0.018 0.000 0.824 744 V CB 1.358 33.026 31.823 -0.258 0.000 1.072 744 V HN 0.730 nan 8.190 nan 0.000 0.448 745 P HA 0.233 nan 4.420 nan 0.000 0.226 745 P C 0.120 177.617 177.300 0.328 0.000 1.783 745 P CA 0.014 63.244 63.100 0.217 0.000 0.980 745 P CB -0.296 31.468 31.700 0.108 0.000 1.967 746 F N 0.426 120.383 119.950 0.012 0.000 2.663 746 F HA 0.296 4.824 4.527 0.001 0.000 0.299 746 F C 1.404 177.229 175.800 0.041 0.000 1.143 746 F CA -1.226 56.788 58.000 0.022 0.000 1.387 746 F CB -0.784 38.228 39.000 0.019 0.000 1.019 746 F HN 0.051 nan 8.300 nan 0.000 0.523 747 A N 1.010 123.952 122.820 0.202 0.000 2.492 747 A HA 0.645 4.965 4.320 0.001 0.000 0.254 747 A C 0.264 177.909 177.584 0.102 0.000 1.091 747 A CA 0.533 52.661 52.037 0.153 0.000 0.768 747 A CB -0.251 18.849 19.000 0.168 0.000 1.028 747 A HN 0.375 nan 8.150 nan 0.000 0.498 748 A N 2.516 125.389 122.820 0.088 0.000 2.605 748 A HA 0.671 4.992 4.320 0.001 0.000 0.294 748 A C -0.987 176.628 177.584 0.051 0.000 1.062 748 A CA -0.437 51.643 52.037 0.072 0.000 0.682 748 A CB 0.844 19.890 19.000 0.076 0.000 1.278 748 A HN 0.757 nan 8.150 nan 0.000 0.410 749 I N 1.650 122.251 120.570 0.051 0.000 2.433 749 I HA 0.371 4.542 4.170 0.001 0.000 0.292 749 I C -2.359 173.764 176.117 0.010 0.000 1.001 749 I CA -2.240 59.077 61.300 0.028 0.000 1.119 749 I CB 2.523 40.542 38.000 0.032 0.000 1.289 749 I HN 0.356 nan 8.210 nan 0.000 0.438 750 P HA 0.072 nan 4.420 nan 0.000 0.268 750 P C -0.407 176.869 177.300 -0.040 0.000 1.282 750 P CA -0.039 63.023 63.100 -0.062 0.000 0.880 750 P CB 0.017 31.681 31.700 -0.059 0.000 0.971 751 E N 1.117 121.293 120.200 -0.040 0.000 2.411 751 E HA 0.078 4.429 4.350 0.001 0.000 0.204 751 E C 0.182 176.763 176.600 -0.031 0.000 1.059 751 E CA -0.728 55.667 56.400 -0.009 0.000 1.112 751 E CB -0.222 29.500 29.700 0.036 0.000 1.168 751 E HN 0.219 nan 8.360 nan 0.000 0.445 752 N N 1.392 120.054 118.700 -0.063 0.000 2.294 752 N HA -0.060 4.680 4.740 0.001 0.000 0.248 752 N C 1.072 176.563 175.510 -0.032 0.000 1.242 752 N CA 1.974 54.984 53.050 -0.067 0.000 0.848 752 N CB 0.766 39.206 38.487 -0.079 0.000 1.084 752 N HN 0.452 nan 8.380 nan 0.000 0.457 753 G N 2.064 110.850 108.800 -0.024 0.000 2.195 753 G HA2 -0.202 3.758 3.960 0.001 0.000 0.224 753 G HA3 -0.202 3.758 3.960 0.001 0.000 0.224 753 G C -0.361 174.540 174.900 0.002 0.000 0.990 753 G CA 0.199 45.294 45.100 -0.009 0.000 0.639 753 G HN 0.800 nan 8.290 nan 0.000 0.514 754 R N 0.848 121.351 120.500 0.005 0.000 2.437 754 R HA 0.696 5.037 4.340 0.001 0.000 0.310 754 R C -0.409 175.900 176.300 0.016 0.000 0.955 754 R CA -0.835 55.272 56.100 0.011 0.000 0.851 754 R CB 1.881 32.189 30.300 0.012 0.000 1.161 754 R HN 0.362 nan 8.270 nan 0.000 0.446 755 E N 1.784 121.993 120.200 0.015 0.000 2.359 755 E HA 0.109 4.459 4.350 0.001 0.000 0.255 755 E C 1.280 177.887 176.600 0.011 0.000 1.191 755 E CA -0.541 55.869 56.400 0.017 0.000 0.952 755 E CB 1.101 30.811 29.700 0.016 0.000 1.152 755 E HN 0.715 nan 8.360 nan 0.000 0.496 756 I N -1.324 119.251 120.570 0.010 0.000 2.530 756 I HA -0.241 3.930 4.170 0.001 0.000 0.257 756 I C 1.600 177.717 176.117 0.001 0.000 1.179 756 I CA 1.264 62.566 61.300 0.002 0.000 1.440 756 I CB -0.142 37.859 38.000 0.002 0.000 1.087 756 I HN 0.434 nan 8.210 nan 0.000 0.440 757 D N 2.427 122.829 120.400 0.004 0.000 2.242 757 D HA -0.232 4.408 4.640 0.001 0.000 0.190 757 D C 0.694 176.994 176.300 0.000 0.000 1.012 757 D CA 2.160 56.161 54.000 0.003 0.000 0.875 757 D CB -0.001 40.802 40.800 0.005 0.000 0.922 757 D HN 0.662 nan 8.370 nan 0.000 0.448 758 S N -0.569 115.132 115.700 0.002 0.000 2.413 758 S HA 0.378 4.848 4.470 0.001 0.000 0.170 758 S C -0.489 174.113 174.600 0.004 0.000 1.294 758 S CA -0.834 57.367 58.200 0.001 0.000 1.201 758 S CB 0.037 63.239 63.200 0.004 0.000 1.328 758 S HN 0.023 nan 8.310 nan 0.000 0.418 759 I N 4.545 125.115 120.570 -0.000 0.000 2.311 759 I HA 0.209 4.379 4.170 0.001 0.000 0.297 759 I C 0.759 176.879 176.117 0.006 0.000 1.131 759 I CA 0.070 61.372 61.300 0.003 0.000 1.289 759 I CB -0.115 37.881 38.000 -0.006 0.000 1.446 759 I HN 0.647 nan 8.210 nan 0.000 0.524 760 D N 2.979 123.390 120.400 0.019 0.000 2.453 760 D HA 0.128 4.768 4.640 0.001 0.000 0.282 760 D C 1.338 177.664 176.300 0.043 0.000 1.222 760 D CA -0.449 53.565 54.000 0.023 0.000 1.079 760 D CB 0.168 40.984 40.800 0.027 0.000 1.128 760 D HN 0.217 nan 8.370 nan 0.000 0.568 761 S N -0.964 114.770 115.700 0.058 0.000 2.353 761 S HA -0.238 4.232 4.470 0.001 0.000 0.222 761 S C 1.749 176.445 174.600 0.159 0.000 1.035 761 S CA 2.039 60.306 58.200 0.113 0.000 1.025 761 S CB -0.470 62.803 63.200 0.123 0.000 0.902 761 S HN 0.538 nan 8.310 nan 0.000 0.440 762 K N 0.340 120.806 120.400 0.110 0.000 2.044 762 K HA -0.104 4.216 4.320 0.001 0.000 0.210 762 K C 2.271 178.937 176.600 0.111 0.000 1.049 762 K CA 1.845 58.190 56.287 0.097 0.000 0.927 762 K CB -0.401 32.135 32.500 0.059 0.000 0.713 762 K HN 0.376 nan 8.250 nan 0.000 0.443 763 S N 0.736 116.493 115.700 0.095 0.000 2.353 763 S HA -0.215 4.256 4.470 0.001 0.000 0.222 763 S C 1.851 176.540 174.600 0.149 0.000 1.035 763 S CA 1.729 59.987 58.200 0.097 0.000 1.025 763 S CB -0.353 62.883 63.200 0.060 0.000 0.902 763 S HN 0.460 nan 8.310 nan 0.000 0.440 764 E N 0.588 120.886 120.200 0.164 0.000 2.110 764 E HA -0.172 4.178 4.350 0.001 0.000 0.193 764 E C 2.027 178.832 176.600 0.341 0.000 0.988 764 E CA 0.895 57.430 56.400 0.225 0.000 0.804 764 E CB -0.156 29.623 29.700 0.131 0.000 0.745 764 E HN 0.344 nan 8.360 nan 0.000 0.458 765 L N 0.638 122.073 121.223 0.354 0.000 2.005 765 L HA -0.035 4.305 4.340 0.001 0.000 0.207 765 L C 2.265 179.199 176.870 0.107 0.000 1.072 765 L CA 2.221 57.181 54.840 0.201 0.000 0.744 765 L CB -0.902 41.209 42.059 0.088 0.000 0.895 765 L HN 0.154 nan 8.230 nan 0.000 0.433 766 A N -1.284 121.609 122.820 0.121 0.000 1.892 766 A HA -0.338 3.983 4.320 0.001 0.000 0.218 766 A C 2.428 180.104 177.584 0.153 0.000 1.188 766 A CA 2.014 54.117 52.037 0.110 0.000 0.631 766 A CB -1.385 17.683 19.000 0.112 0.000 0.822 766 A HN 0.766 nan 8.150 nan 0.000 0.447 767 H N -0.896 118.213 119.070 0.065 0.000 2.390 767 H HA -0.152 4.405 4.556 0.001 0.000 0.298 767 H C 2.370 177.722 175.328 0.040 0.000 1.106 767 H CA 1.571 57.647 56.048 0.046 0.000 1.297 767 H CB 0.027 29.818 29.762 0.049 0.000 1.375 767 H HN 0.503 nan 8.280 nan 0.000 0.509 768 R N 0.270 120.793 120.500 0.039 0.000 2.115 768 R HA -0.063 4.277 4.340 0.001 0.000 0.226 768 R C 2.192 178.460 176.300 -0.054 0.000 1.100 768 R CA 1.093 57.166 56.100 -0.044 0.000 0.980 768 R CB 0.060 30.381 30.300 0.035 0.000 0.875 768 R HN 0.321 nan 8.270 nan 0.000 0.445 769 I N -0.060 120.498 120.570 -0.021 0.000 2.277 769 I HA -0.182 3.988 4.170 0.001 0.000 0.243 769 I C 2.152 178.271 176.117 0.004 0.000 1.094 769 I CA 1.171 62.462 61.300 -0.015 0.000 1.393 769 I CB -0.018 37.981 38.000 -0.001 0.000 1.078 769 I HN 0.135 nan 8.210 nan 0.000 0.417 770 M N -0.693 118.919 119.600 0.020 0.000 2.562 770 M HA -0.018 4.462 4.480 0.001 0.000 0.257 770 M C 1.415 177.705 176.300 -0.017 0.000 1.099 770 M CA 1.211 56.524 55.300 0.021 0.000 1.099 770 M CB 0.404 33.040 32.600 0.060 0.000 1.427 770 M HN 0.301 nan 8.290 nan 0.000 0.489 771 L N -2.355 118.829 121.223 -0.065 0.000 3.099 771 L HA 0.152 4.492 4.340 0.001 0.000 0.165 771 L C 2.046 178.833 176.870 -0.138 0.000 1.151 771 L CA 0.655 55.427 54.840 -0.113 0.000 0.878 771 L CB -0.726 41.238 42.059 -0.159 0.000 1.615 771 L HN 0.151 nan 8.230 nan 0.000 0.545 772 T N -1.100 113.331 114.554 -0.204 0.000 2.699 772 T HA -0.144 4.207 4.350 0.001 0.000 0.268 772 T C 1.519 176.163 174.700 -0.094 0.000 1.036 772 T CA 2.039 64.052 62.100 -0.146 0.000 1.147 772 T CB -0.729 68.052 68.868 -0.145 0.000 0.862 772 T HN 0.330 nan 8.240 nan 0.000 0.446 773 N N 0.761 119.415 118.700 -0.076 0.000 2.416 773 N HA 0.235 4.975 4.740 0.001 0.000 0.177 773 N C 1.729 177.222 175.510 -0.029 0.000 1.036 773 N CA 0.215 53.238 53.050 -0.046 0.000 0.901 773 N CB -0.449 38.015 38.487 -0.038 0.000 0.976 773 N HN 0.348 nan 8.380 nan 0.000 0.444 774 L N 0.421 121.622 121.223 -0.036 0.000 1.994 774 L HA -0.109 4.231 4.340 0.001 0.000 0.208 774 L C 1.841 178.669 176.870 -0.071 0.000 1.071 774 L CA 1.108 55.928 54.840 -0.033 0.000 0.745 774 L CB -0.236 41.800 42.059 -0.038 0.000 0.892 774 L HN 0.113 nan 8.230 nan 0.000 0.431 775 L N -0.606 120.560 121.223 -0.095 0.000 2.042 775 L HA -0.267 4.074 4.340 0.001 0.000 0.210 775 L C 2.801 179.581 176.870 -0.149 0.000 1.076 775 L CA 1.436 56.194 54.840 -0.136 0.000 0.749 775 L CB -0.458 41.526 42.059 -0.125 0.000 0.893 775 L HN 0.225 nan 8.230 nan 0.000 0.432 776 R N -0.561 119.873 120.500 -0.110 0.000 2.115 776 R HA -0.117 4.223 4.340 0.001 0.000 0.230 776 R C 2.280 178.519 176.300 -0.102 0.000 1.111 776 R CA 0.944 56.980 56.100 -0.105 0.000 0.976 776 R CB -0.296 29.959 30.300 -0.075 0.000 0.870 776 R HN 0.368 nan 8.270 nan 0.000 0.445 777 L N 1.005 122.183 121.223 -0.074 0.000 1.994 777 L HA -0.201 4.139 4.340 0.001 0.000 0.208 777 L C 2.178 178.988 176.870 -0.101 0.000 1.071 777 L CA 1.393 56.195 54.840 -0.065 0.000 0.745 777 L CB -0.230 41.812 42.059 -0.027 0.000 0.892 777 L HN 0.199 nan 8.230 nan 0.000 0.431 778 L N -0.756 120.394 121.223 -0.123 0.000 1.989 778 L HA -0.196 4.145 4.340 0.001 0.000 0.211 778 L C 2.678 179.417 176.870 -0.219 0.000 1.071 778 L CA 1.577 56.320 54.840 -0.162 0.000 0.749 778 L CB -1.697 40.228 42.059 -0.222 0.000 0.890 778 L HN 0.395 nan 8.230 nan 0.000 0.431 779 G N -0.163 108.479 108.800 -0.262 0.000 2.513 779 G HA2 -0.324 3.637 3.960 0.001 0.000 0.219 779 G HA3 -0.324 3.637 3.960 0.001 0.000 0.219 779 G C 1.767 176.536 174.900 -0.218 0.000 1.160 779 G CA 1.227 46.163 45.100 -0.273 0.000 0.767 779 G HN 0.504 nan 8.290 nan 0.000 0.571 780 A N 1.117 123.829 122.820 -0.181 0.000 1.851 780 A HA -0.071 4.250 4.320 0.001 0.000 0.216 780 A C 2.428 179.869 177.584 -0.238 0.000 1.195 780 A CA 1.678 53.605 52.037 -0.185 0.000 0.622 780 A CB -0.502 18.409 19.000 -0.149 0.000 0.831 780 A HN 0.411 nan 8.150 nan 0.000 0.444 781 I N -0.342 120.105 120.570 -0.205 0.000 2.145 781 I HA -0.335 3.835 4.170 0.001 0.000 0.244 781 I C 2.612 178.590 176.117 -0.232 0.000 1.075 781 I CA 2.017 63.187 61.300 -0.216 0.000 1.332 781 I CB -0.624 37.347 38.000 -0.047 0.000 1.033 781 I HN 0.368 nan 8.210 nan 0.000 0.410 782 K N 1.602 121.890 120.400 -0.186 0.000 1.991 782 K HA -0.211 4.109 4.320 0.001 0.000 0.212 782 K C 2.088 178.463 176.600 -0.375 0.000 1.049 782 K CA 2.799 58.957 56.287 -0.215 0.000 0.932 782 K CB -0.699 31.697 32.500 -0.173 0.000 0.717 782 K HN 0.456 nan 8.250 nan 0.000 0.441 783 T N 0.892 115.254 114.554 -0.319 0.000 2.803 783 T HA -0.138 4.213 4.350 0.001 0.000 0.269 783 T C 1.985 176.488 174.700 -0.328 0.000 1.052 783 T CA 0.915 62.829 62.100 -0.309 0.000 1.136 783 T CB -0.174 68.558 68.868 -0.225 0.000 0.864 783 T HN 0.173 nan 8.240 nan 0.000 0.467 784 Q N 1.583 121.155 119.800 -0.380 0.000 2.030 784 Q HA -0.069 4.271 4.340 0.001 0.000 0.204 784 Q C 2.382 178.175 176.000 -0.346 0.000 0.986 784 Q CA 1.723 57.243 55.803 -0.472 0.000 0.843 784 Q CB -0.330 27.828 28.738 -0.968 0.000 0.904 784 Q HN 0.601 nan 8.270 nan 0.000 0.420 785 K N 0.497 120.756 120.400 -0.235 0.000 2.009 785 K HA -0.175 4.145 4.320 0.001 0.000 0.210 785 K C 2.163 178.666 176.600 -0.162 0.000 1.049 785 K CA 1.437 57.737 56.287 0.021 0.000 0.929 785 K CB -0.195 32.441 32.500 0.228 0.000 0.714 785 K HN 0.070 nan 8.250 nan 0.000 0.440 786 K N 1.451 121.568 120.400 -0.472 0.000 2.044 786 K HA -0.244 4.076 4.320 0.001 0.000 0.210 786 K C 1.853 178.340 176.600 -0.189 0.000 1.049 786 K CA 1.930 57.955 56.287 -0.437 0.000 0.927 786 K CB 0.030 32.191 32.500 -0.565 0.000 0.713 786 K HN 0.178 nan 8.250 nan 0.000 0.443 787 E N -0.115 119.952 120.200 -0.221 0.000 2.072 787 E HA -0.145 4.206 4.350 0.001 0.000 0.191 787 E C 1.932 178.413 176.600 -0.198 0.000 0.985 787 E CA 0.953 57.249 56.400 -0.174 0.000 0.801 787 E CB 0.046 29.643 29.700 -0.171 0.000 0.750 787 E HN 0.267 nan 8.360 nan 0.000 0.452 788 R N -0.353 119.954 120.500 -0.322 0.000 2.323 788 R HA 0.033 4.373 4.340 0.001 0.000 0.198 788 R C 1.048 177.045 176.300 -0.505 0.000 0.988 788 R CA 0.481 56.258 56.100 -0.538 0.000 1.041 788 R CB 0.242 29.952 30.300 -0.983 0.000 0.926 788 R HN 0.278 nan 8.270 nan 0.000 0.476 789 G N 0.387 109.068 108.800 -0.199 0.000 2.162 789 G HA2 -0.290 3.671 3.960 0.001 0.000 0.260 789 G HA3 -0.290 3.671 3.960 0.001 0.000 0.260 789 G C -0.291 174.723 174.900 0.191 0.000 0.976 789 G CA -0.109 44.995 45.100 0.007 0.000 0.655 789 G HN 0.298 nan 8.290 nan 0.000 0.533 790 Y N 0.920 121.314 120.300 0.156 0.000 2.517 790 Y HA 0.427 4.977 4.550 0.001 0.000 0.341 790 Y C 1.462 177.506 175.900 0.239 0.000 1.247 790 Y CA -0.214 57.995 58.100 0.182 0.000 1.774 790 Y CB 0.091 38.677 38.460 0.210 0.000 1.641 790 Y HN 0.381 nan 8.280 nan 0.000 0.457 791 E N 0.799 121.181 120.200 0.303 0.000 2.251 791 E HA -0.043 4.307 4.350 0.001 0.000 0.194 791 E C 1.572 178.206 176.600 0.057 0.000 0.964 791 E CA 0.882 57.383 56.400 0.169 0.000 0.868 791 E CB 0.363 30.130 29.700 0.110 0.000 0.828 791 E HN 0.472 nan 8.360 nan 0.000 0.481 792 T N -1.966 112.637 114.554 0.081 0.000 3.223 792 T HA 0.302 4.652 4.350 0.001 0.000 0.259 792 T C 0.706 175.428 174.700 0.037 0.000 1.015 792 T CA -0.495 61.628 62.100 0.039 0.000 0.908 792 T CB 0.044 68.933 68.868 0.035 0.000 1.054 792 T HN -0.137 nan 8.240 nan 0.000 0.567 793 R N 1.631 122.169 120.500 0.063 0.000 2.674 793 R HA 0.309 4.649 4.340 0.001 0.000 0.270 793 R C -3.072 173.274 176.300 0.077 0.000 1.492 793 R CA -1.604 54.521 56.100 0.042 0.000 1.624 793 R CB 0.722 31.024 30.300 0.003 0.000 1.307 793 R HN 0.250 nan 8.270 nan 0.000 0.683 794 P HA -0.043 nan 4.420 nan 0.000 0.267 794 P C -0.940 176.411 177.300 0.085 0.000 1.201 794 P CA 0.299 63.472 63.100 0.121 0.000 0.775 794 P CB 0.762 32.535 31.700 0.121 0.000 0.854 795 A N 2.346 125.244 122.820 0.129 0.000 2.288 795 A HA 0.294 4.615 4.320 0.001 0.000 0.320 795 A C -0.193 177.429 177.584 0.063 0.000 1.217 795 A CA -0.536 51.541 52.037 0.067 0.000 0.840 795 A CB 0.373 19.448 19.000 0.125 0.000 1.179 795 A HN 0.525 nan 8.150 nan 0.000 0.504 796 Q N 2.221 121.993 119.800 -0.046 0.000 2.307 796 Q HA 0.416 4.756 4.340 0.001 0.000 0.259 796 Q C -1.194 174.851 176.000 0.074 0.000 0.998 796 Q CA -0.152 55.650 55.803 -0.003 0.000 0.923 796 Q CB 0.804 29.485 28.738 -0.094 0.000 1.196 796 Q HN 0.532 nan 8.270 nan 0.000 0.416 797 V N 6.350 126.320 119.914 0.093 0.000 2.333 797 V HA 0.189 4.309 4.120 0.001 0.000 0.274 797 V C 0.234 176.370 176.094 0.070 0.000 1.028 797 V CA -0.574 61.779 62.300 0.088 0.000 0.851 797 V CB 1.151 33.023 31.823 0.081 0.000 1.000 797 V HN 0.695 nan 8.190 nan 0.000 0.456 798 I N 5.837 126.469 120.570 0.103 0.000 2.213 798 I HA 0.137 4.307 4.170 0.001 0.000 0.295 798 I C 0.318 176.497 176.117 0.104 0.000 1.172 798 I CA -0.229 61.139 61.300 0.113 0.000 1.443 798 I CB 0.112 38.217 38.000 0.176 0.000 1.491 798 I HN 0.376 nan 8.210 nan 0.000 0.652 799 L N 7.548 128.756 121.223 -0.026 0.000 2.654 799 L HA 0.061 4.402 4.340 0.001 0.000 0.271 799 L C -1.830 174.938 176.870 -0.171 0.000 1.169 799 L CA -0.701 54.069 54.840 -0.117 0.000 0.947 799 L CB -0.103 41.814 42.059 -0.236 0.000 1.232 799 L HN 0.180 nan 8.230 nan 0.000 0.486 800 P HA 0.194 nan 4.420 nan 0.000 0.260 800 P C -0.127 177.007 177.300 -0.277 0.000 1.651 800 P CA -0.092 62.778 63.100 -0.383 0.000 1.139 800 P CB 0.172 31.415 31.700 -0.762 0.000 1.756 801 L N 0.407 121.489 121.223 -0.235 0.000 2.490 801 L HA 0.577 4.918 4.340 0.001 0.000 0.245 801 L C 0.958 177.756 176.870 -0.120 0.000 1.185 801 L CA -0.428 54.304 54.840 -0.179 0.000 0.813 801 L CB 0.233 42.170 42.059 -0.202 0.000 1.233 801 L HN 0.175 nan 8.230 nan 0.000 0.489 802 S N -1.668 114.007 115.700 -0.041 0.000 2.595 802 S HA 0.498 4.969 4.470 0.001 0.000 0.281 802 S C -2.204 172.307 174.600 -0.148 0.000 1.117 802 S CA -1.190 56.985 58.200 -0.042 0.000 0.873 802 S CB 1.905 65.109 63.200 0.007 0.000 1.108 802 S HN 0.288 nan 8.310 nan 0.000 0.477 803 P HA 0.056 nan 4.420 nan 0.000 0.221 803 P C -0.179 177.005 177.300 -0.194 0.000 1.155 803 P CA 0.507 63.523 63.100 -0.141 0.000 0.812 803 P CB -0.059 31.664 31.700 0.038 0.000 0.801 804 N N 0.636 119.312 118.700 -0.039 0.000 2.402 804 N HA -0.035 4.705 4.740 0.001 0.000 0.259 804 N C -0.708 174.861 175.510 0.099 0.000 1.167 804 N CA 0.196 53.311 53.050 0.109 0.000 0.949 804 N CB -0.840 37.792 38.487 0.242 0.000 1.212 804 N HN 0.216 nan 8.380 nan 0.000 0.493 805 H N 2.455 121.597 119.070 0.119 0.000 2.421 805 H HA 0.321 4.878 4.556 0.001 0.000 0.241 805 H C 0.818 176.194 175.328 0.081 0.000 1.428 805 H CA -0.276 55.816 56.048 0.074 0.000 1.136 805 H CB 0.391 30.191 29.762 0.064 0.000 1.612 805 H HN 0.836 nan 8.280 nan 0.000 0.537 806 G N 0.918 109.845 108.800 0.211 0.000 2.144 806 G HA2 -0.385 3.575 3.960 0.001 0.000 0.218 806 G HA3 -0.385 3.575 3.960 0.001 0.000 0.218 806 G C 1.377 176.355 174.900 0.130 0.000 0.988 806 G CA 0.604 45.796 45.100 0.154 0.000 0.659 806 G HN 0.563 nan 8.290 nan 0.000 0.522 807 T N -2.214 112.428 114.554 0.146 0.000 2.942 807 T HA 0.371 4.721 4.350 0.001 0.000 0.265 807 T C 1.160 175.850 174.700 -0.017 0.000 1.062 807 T CA 0.773 62.906 62.100 0.054 0.000 1.139 807 T CB -0.010 68.879 68.868 0.035 0.000 0.883 807 T HN 0.270 nan 8.240 nan 0.000 0.468 808 F N 1.220 121.186 119.950 0.026 0.000 2.370 808 F HA 0.633 5.160 4.527 0.001 0.000 0.319 808 F C 1.852 177.657 175.800 0.008 0.000 1.129 808 F CA -0.217 57.786 58.000 0.005 0.000 1.109 808 F CB 0.660 39.650 39.000 -0.018 0.000 1.262 808 F HN 0.163 nan 8.300 nan 0.000 0.534 809 G N 0.568 109.496 108.800 0.213 0.000 2.620 809 G HA2 -0.201 3.759 3.960 0.001 0.000 0.180 809 G HA3 -0.201 3.759 3.960 0.001 0.000 0.180 809 G C 0.411 175.369 174.900 0.097 0.000 1.545 809 G CA 0.090 45.258 45.100 0.114 0.000 0.866 809 G HN 0.572 nan 8.290 nan 0.000 0.432 810 N N 1.706 120.445 118.700 0.065 0.000 3.111 810 N HA 0.105 4.845 4.740 0.001 0.000 0.302 810 N C 0.656 176.181 175.510 0.024 0.000 1.317 810 N CA -0.021 53.051 53.050 0.036 0.000 1.151 810 N CB 0.464 38.961 38.487 0.017 0.000 1.456 810 N HN 0.277 nan 8.380 nan 0.000 0.547 811 D N 0.867 121.300 120.400 0.054 0.000 2.133 811 D HA -0.115 4.526 4.640 0.001 0.000 0.195 811 D C 1.037 177.380 176.300 0.071 0.000 0.997 811 D CA 1.132 55.173 54.000 0.069 0.000 0.840 811 D CB -0.252 40.659 40.800 0.185 0.000 0.947 811 D HN 0.430 nan 8.370 nan 0.000 0.452 812 G N 1.890 110.724 108.800 0.057 0.000 2.330 812 G HA2 -0.226 3.734 3.960 0.001 0.000 0.239 812 G HA3 -0.226 3.734 3.960 0.001 0.000 0.239 812 G C 0.587 175.512 174.900 0.042 0.000 0.818 812 G CA 0.179 45.302 45.100 0.037 0.000 1.189 812 G HN 0.344 nan 8.290 nan 0.000 0.337 813 L N -1.026 120.199 121.223 0.004 0.000 5.081 813 L HA -0.282 4.058 4.340 0.001 0.000 0.423 813 L C 1.776 178.627 176.870 -0.031 0.000 1.019 813 L CA 2.671 57.465 54.840 -0.078 0.000 1.223 813 L CB -2.012 39.996 42.059 -0.084 0.000 1.940 813 L HN 0.915 nan 8.230 nan 0.000 0.675 814 Y N 1.401 121.668 120.300 -0.054 0.000 2.114 814 Y HA -0.194 4.356 4.550 0.001 0.000 0.284 814 Y C 2.481 178.370 175.900 -0.018 0.000 1.119 814 Y CA 2.518 60.599 58.100 -0.031 0.000 1.108 814 Y CB -0.376 38.065 38.460 -0.032 0.000 0.995 814 Y HN 0.345 nan 8.280 nan 0.000 0.491 815 S N 0.329 116.014 115.700 -0.024 0.000 2.372 815 S HA -0.289 4.181 4.470 0.001 0.000 0.227 815 S C 1.691 176.208 174.600 -0.138 0.000 1.044 815 S CA 1.720 59.878 58.200 -0.069 0.000 1.050 815 S CB -0.732 62.528 63.200 0.099 0.000 0.901 815 S HN 0.510 nan 8.310 nan 0.000 0.447 816 E N 1.866 121.985 120.200 -0.135 0.000 2.118 816 E HA -0.079 4.272 4.350 0.001 0.000 0.195 816 E C 2.441 178.951 176.600 -0.149 0.000 0.992 816 E CA 1.507 57.806 56.400 -0.168 0.000 0.804 816 E CB -0.537 29.006 29.700 -0.261 0.000 0.741 816 E HN 0.664 nan 8.360 nan 0.000 0.458 817 S N 0.608 116.215 115.700 -0.156 0.000 2.338 817 S HA -0.098 4.372 4.470 0.001 0.000 0.218 817 S C 1.732 176.259 174.600 -0.121 0.000 1.032 817 S CA 0.880 59.084 58.200 0.007 0.000 0.999 817 S CB -0.177 63.071 63.200 0.080 0.000 0.905 817 S HN 0.056 nan 8.310 nan 0.000 0.439 818 K N 1.189 121.424 120.400 -0.274 0.000 2.147 818 K HA 0.086 4.406 4.320 0.001 0.000 0.205 818 K C 2.035 178.532 176.600 -0.171 0.000 1.049 818 K CA 0.682 56.811 56.287 -0.263 0.000 0.936 818 K CB -0.771 31.491 32.500 -0.396 0.000 0.722 818 K HN 0.314 nan 8.250 nan 0.000 0.446 819 L N 0.504 121.587 121.223 -0.232 0.000 2.068 819 L HA 0.005 4.345 4.340 0.001 0.000 0.204 819 L C 2.128 178.884 176.870 -0.191 0.000 1.076 819 L CA 1.587 56.194 54.840 -0.388 0.000 0.753 819 L CB -0.574 41.208 42.059 -0.461 0.000 0.910 819 L HN 0.103 nan 8.230 nan 0.000 0.439 820 A N -0.366 122.387 122.820 -0.112 0.000 1.978 820 A HA -0.203 4.118 4.320 0.001 0.000 0.220 820 A C 2.237 179.790 177.584 -0.052 0.000 1.170 820 A CA 1.913 53.925 52.037 -0.042 0.000 0.636 820 A CB -1.020 17.991 19.000 0.019 0.000 0.810 820 A HN 0.514 nan 8.150 nan 0.000 0.448 821 L N -0.559 120.606 121.223 -0.096 0.000 2.187 821 L HA -0.219 4.121 4.340 0.001 0.000 0.213 821 L C 2.294 179.055 176.870 -0.181 0.000 1.100 821 L CA 1.507 56.268 54.840 -0.133 0.000 0.765 821 L CB -0.504 41.452 42.059 -0.170 0.000 0.904 821 L HN 0.503 nan 8.230 nan 0.000 0.437 822 E N -0.749 119.358 120.200 -0.155 0.000 2.418 822 E HA -0.140 4.211 4.350 0.001 0.000 0.197 822 E C 1.900 178.537 176.600 0.062 0.000 1.026 822 E CA 1.258 57.571 56.400 -0.144 0.000 0.862 822 E CB -0.055 29.691 29.700 0.077 0.000 0.799 822 E HN 0.585 nan 8.360 nan 0.000 0.518 823 T N -1.042 113.553 114.554 0.068 0.000 3.098 823 T HA -0.032 4.319 4.350 0.001 0.000 0.266 823 T C 1.794 176.603 174.700 0.181 0.000 1.145 823 T CA 0.359 62.548 62.100 0.149 0.000 1.092 823 T CB -0.125 68.810 68.868 0.112 0.000 0.908 823 T HN 0.097 nan 8.240 nan 0.000 0.526 824 L N -0.896 120.381 121.223 0.091 0.000 2.156 824 L HA 0.196 4.537 4.340 0.001 0.000 0.208 824 L C 2.315 179.333 176.870 0.246 0.000 1.095 824 L CA 0.885 55.834 54.840 0.182 0.000 0.770 824 L CB -0.510 41.578 42.059 0.048 0.000 0.914 824 L HN 0.229 nan 8.230 nan 0.000 0.439 825 F N 0.544 120.622 119.950 0.213 0.000 2.147 825 F HA -0.318 4.210 4.527 0.001 0.000 0.301 825 F C 2.035 177.986 175.800 0.252 0.000 1.084 825 F CA 1.415 59.557 58.000 0.238 0.000 1.268 825 F CB -0.196 39.048 39.000 0.407 0.000 1.009 825 F HN 0.274 nan 8.300 nan 0.000 0.486 826 N N -0.695 118.287 118.700 0.470 0.000 2.439 826 N HA 0.031 4.772 4.740 0.001 0.000 0.176 826 N C 1.484 177.172 175.510 0.297 0.000 1.029 826 N CA 0.315 53.616 53.050 0.418 0.000 0.886 826 N CB -0.196 38.494 38.487 0.337 0.000 1.057 826 N HN 0.014 nan 8.380 nan 0.000 0.437 827 R N -0.553 120.111 120.500 0.273 0.000 2.159 827 R HA -0.133 4.207 4.340 0.001 0.000 0.237 827 R C 1.490 177.701 176.300 -0.148 0.000 1.131 827 R CA 1.042 57.285 56.100 0.237 0.000 0.982 827 R CB -0.288 30.325 30.300 0.523 0.000 0.868 827 R HN 0.386 nan 8.270 nan 0.000 0.453 828 W N 0.264 121.298 121.300 -0.444 0.000 2.350 828 W HA -0.224 4.437 4.660 0.001 0.000 0.289 828 W C 1.124 177.214 176.519 -0.716 0.000 1.215 828 W CA 1.437 58.201 57.345 -0.968 0.000 1.236 828 W CB -0.098 28.977 29.460 -0.641 0.000 1.130 828 W HN 0.090 nan 8.180 nan 0.000 0.541 829 Y N -0.434 119.873 120.300 0.011 0.000 2.205 829 Y HA -0.184 4.367 4.550 0.001 0.000 0.292 829 Y C 3.011 178.818 175.900 -0.155 0.000 1.119 829 Y CA 1.373 59.467 58.100 -0.010 0.000 1.117 829 Y CB -0.941 37.596 38.460 0.128 0.000 1.037 829 Y HN -0.120 nan 8.280 nan 0.000 0.510 830 S N 0.078 115.822 115.700 0.073 0.000 2.348 830 S HA -0.133 4.337 4.470 0.001 0.000 0.221 830 S C 0.683 175.245 174.600 -0.064 0.000 1.033 830 S CA 0.685 58.898 58.200 0.022 0.000 1.010 830 S CB -0.637 62.608 63.200 0.074 0.000 0.891 830 S HN 0.343 nan 8.310 nan 0.000 0.442 831 E N 1.322 121.444 120.200 -0.131 0.000 2.342 831 E HA 0.346 4.696 4.350 0.001 0.000 0.257 831 E C 0.103 176.506 176.600 -0.328 0.000 1.150 831 E CA 0.114 56.451 56.400 -0.105 0.000 0.926 831 E CB 0.653 30.480 29.700 0.213 0.000 1.074 831 E HN 0.505 nan 8.360 nan 0.000 0.449 832 S N 1.001 116.652 115.700 -0.081 0.000 2.596 832 S HA 0.089 4.559 4.470 0.001 0.000 0.248 832 S C 0.029 174.670 174.600 0.069 0.000 1.162 832 S CA -0.809 57.353 58.200 -0.064 0.000 1.185 832 S CB -0.364 62.863 63.200 0.045 0.000 0.833 832 S HN 0.652 nan 8.310 nan 0.000 0.472 833 W N -0.860 120.391 121.300 -0.082 0.000 2.684 833 W HA 0.491 5.151 4.660 0.001 0.000 0.381 833 W C 0.832 177.229 176.519 -0.203 0.000 0.975 833 W CA -0.502 56.869 57.345 0.043 0.000 1.789 833 W CB -0.898 28.595 29.460 0.055 0.000 1.161 833 W HN 0.321 nan 8.180 nan 0.000 0.564 834 G N 3.762 112.109 108.800 -0.756 0.000 2.505 834 G HA2 -0.398 3.562 3.960 0.001 0.000 0.220 834 G HA3 -0.398 3.562 3.960 0.001 0.000 0.220 834 G C 1.137 175.707 174.900 -0.550 0.000 1.145 834 G CA 1.713 46.020 45.100 -1.323 0.000 0.761 834 G HN 0.296 nan 8.290 nan 0.000 0.571 835 N N -0.956 117.497 118.700 -0.411 0.000 2.279 835 N HA 0.198 4.938 4.740 0.001 0.000 0.226 835 N C 0.404 175.704 175.510 -0.351 0.000 1.126 835 N CA -0.162 52.703 53.050 -0.309 0.000 0.846 835 N CB 0.002 38.274 38.487 -0.358 0.000 1.050 835 N HN 0.423 nan 8.380 nan 0.000 0.502 836 Y N -0.442 119.928 120.300 0.116 0.000 2.638 836 Y HA 0.430 4.981 4.550 0.001 0.000 0.275 836 Y C 0.066 176.086 175.900 0.200 0.000 1.122 836 Y CA -0.312 57.880 58.100 0.154 0.000 1.266 836 Y CB 0.659 39.206 38.460 0.145 0.000 1.317 836 Y HN -0.054 nan 8.280 nan 0.000 0.501 837 L N 0.528 122.023 121.223 0.453 0.000 2.386 837 L HA 0.514 4.854 4.340 0.001 0.000 0.271 837 L C 0.002 177.237 176.870 0.609 0.000 0.993 837 L CA -0.849 54.265 54.840 0.457 0.000 0.819 837 L CB 1.687 44.041 42.059 0.492 0.000 1.294 837 L HN 0.104 nan 8.230 nan 0.000 0.414 838 T N 0.872 115.704 114.554 0.463 0.000 2.885 838 T HA 0.790 5.140 4.350 0.001 0.000 0.285 838 T C -0.231 174.594 174.700 0.209 0.000 1.019 838 T CA -0.593 61.767 62.100 0.434 0.000 1.010 838 T CB 1.164 70.152 68.868 0.200 0.000 1.022 838 T HN 0.325 nan 8.240 nan 0.000 0.466 839 I N 2.167 122.732 120.570 -0.010 0.000 2.339 839 I HA 0.379 4.550 4.170 0.001 0.000 0.290 839 I C -0.087 175.995 176.117 -0.059 0.000 0.994 839 I CA -0.875 60.427 61.300 0.004 0.000 1.191 839 I CB 1.483 39.508 38.000 0.041 0.000 1.343 839 I HN 0.831 nan 8.210 nan 0.000 0.458 840 C N 5.968 125.247 119.300 -0.036 0.000 2.301 840 C HA 0.575 5.035 4.460 0.001 0.000 0.313 840 C C 0.979 175.915 174.990 -0.090 0.000 1.121 840 C CA -0.524 58.472 59.018 -0.036 0.000 1.507 840 C CB -0.717 27.012 27.740 -0.019 0.000 1.975 840 C HN 0.962 nan 8.230 nan 0.000 0.425 841 G N 5.125 113.866 108.800 -0.097 0.000 2.778 841 G HA2 0.461 4.421 3.960 0.001 0.000 0.287 841 G HA3 0.461 4.421 3.960 0.001 0.000 0.287 841 G C 0.561 175.286 174.900 -0.293 0.000 0.747 841 G CA 0.263 45.201 45.100 -0.270 0.000 1.961 841 G HN 1.385 nan 8.290 nan 0.000 0.539 842 A N 2.588 125.284 122.820 -0.208 0.000 2.395 842 A HA 0.410 4.731 4.320 0.001 0.000 0.286 842 A C 0.515 177.975 177.584 -0.206 0.000 1.193 842 A CA -0.347 51.585 52.037 -0.176 0.000 0.852 842 A CB 0.767 19.722 19.000 -0.075 0.000 1.118 842 A HN 1.299 nan 8.150 nan 0.000 0.524 843 V N 6.095 125.881 119.914 -0.214 0.000 2.322 843 V HA 0.396 4.516 4.120 0.001 0.000 0.258 843 V C -0.205 175.834 176.094 -0.091 0.000 1.074 843 V CA -0.585 61.622 62.300 -0.155 0.000 0.909 843 V CB -0.639 31.110 31.823 -0.124 0.000 1.090 843 V HN 0.584 nan 8.190 nan 0.000 0.486 844 I N 6.615 127.126 120.570 -0.097 0.000 2.648 844 I HA 0.504 4.674 4.170 0.001 0.000 0.284 844 I C 1.201 177.302 176.117 -0.027 0.000 1.153 844 I CA 1.257 62.510 61.300 -0.078 0.000 1.426 844 I CB 0.783 38.736 38.000 -0.079 0.000 1.381 844 I HN 0.681 nan 8.210 nan 0.000 0.571 845 G N 4.431 113.217 108.800 -0.024 0.000 2.537 845 G HA2 0.247 4.208 3.960 0.001 0.000 0.323 845 G HA3 0.247 4.208 3.960 0.001 0.000 0.323 845 G C -1.198 173.860 174.900 0.264 0.000 1.207 845 G CA -0.656 44.525 45.100 0.134 0.000 0.976 845 G HN 0.637 nan 8.290 nan 0.000 0.487 846 W N 1.907 123.308 121.300 0.167 0.000 2.550 846 W HA -0.021 4.639 4.660 0.001 0.000 0.361 846 W C -0.462 176.196 176.519 0.231 0.000 1.014 846 W CA 0.325 57.772 57.345 0.171 0.000 1.069 846 W CB -0.812 28.764 29.460 0.194 0.000 1.115 846 W HN 0.198 nan 8.180 nan 0.000 0.586 847 T N 7.768 122.639 114.554 0.529 0.000 2.947 847 T HA 0.179 4.530 4.350 0.001 0.000 0.337 847 T C 1.439 176.390 174.700 0.418 0.000 1.139 847 T CA -0.649 61.706 62.100 0.426 0.000 0.992 847 T CB 0.534 69.552 68.868 0.251 0.000 1.043 847 T HN 0.454 nan 8.240 nan 0.000 0.498 848 R N 1.923 122.685 120.500 0.437 0.000 2.193 848 R HA 0.039 4.380 4.340 0.001 0.000 0.229 848 R C 1.250 177.697 176.300 0.244 0.000 1.110 848 R CA 0.215 56.532 56.100 0.362 0.000 0.988 848 R CB -0.603 29.845 30.300 0.247 0.000 0.871 848 R HN 0.505 nan 8.270 nan 0.000 0.458 849 G N 1.687 110.617 108.800 0.216 0.000 2.287 849 G HA2 -0.105 3.856 3.960 0.001 0.000 0.235 849 G HA3 -0.105 3.856 3.960 0.001 0.000 0.235 849 G C -0.124 174.857 174.900 0.136 0.000 1.258 849 G CA 0.328 45.529 45.100 0.168 0.000 0.884 849 G HN 0.303 nan 8.290 nan 0.000 0.518 850 T N 1.488 116.112 114.554 0.116 0.000 2.642 850 T HA 0.416 4.766 4.350 0.001 0.000 0.258 850 T C 1.132 175.866 174.700 0.058 0.000 1.022 850 T CA 1.026 63.174 62.100 0.080 0.000 1.266 850 T CB -0.541 68.369 68.868 0.070 0.000 0.987 850 T HN 1.169 nan 8.240 nan 0.000 0.518 851 G N 3.226 112.050 108.800 0.041 0.000 3.159 851 G HA2 0.352 4.312 3.960 0.001 0.000 0.150 851 G HA3 0.352 4.312 3.960 0.001 0.000 0.150 851 G C 0.229 175.120 174.900 -0.014 0.000 1.193 851 G CA -0.379 44.736 45.100 0.025 0.000 1.177 851 G HN 0.616 nan 8.290 nan 0.000 0.635 852 L N 0.219 121.420 121.223 -0.038 0.000 2.612 852 L HA 0.564 4.905 4.340 0.001 0.000 0.230 852 L C 1.044 177.822 176.870 -0.153 0.000 1.140 852 L CA 0.312 55.093 54.840 -0.099 0.000 0.896 852 L CB -0.079 41.907 42.059 -0.121 0.000 1.065 852 L HN 0.316 nan 8.230 nan 0.000 0.447 853 M N -1.542 117.989 119.600 -0.114 0.000 3.189 853 M HA 0.128 4.609 4.480 0.001 0.000 0.365 853 M C 0.936 177.198 176.300 -0.063 0.000 1.447 853 M CA -0.106 55.096 55.300 -0.164 0.000 0.739 853 M CB 1.082 33.526 32.600 -0.261 0.000 1.411 853 M HN -0.040 nan 8.290 nan 0.000 0.494 854 S N 0.505 116.175 115.700 -0.051 0.000 2.345 854 S HA -0.003 4.467 4.470 0.001 0.000 0.219 854 S C 1.837 176.412 174.600 -0.042 0.000 1.031 854 S CA 1.630 59.817 58.200 -0.021 0.000 0.984 854 S CB 0.140 63.331 63.200 -0.016 0.000 0.874 854 S HN 0.702 nan 8.310 nan 0.000 0.451 855 A N 1.553 124.342 122.820 -0.052 0.000 2.209 855 A HA 0.048 4.368 4.320 0.001 0.000 0.212 855 A C 1.278 178.839 177.584 -0.038 0.000 1.158 855 A CA 0.740 52.748 52.037 -0.048 0.000 0.742 855 A CB -0.355 18.621 19.000 -0.040 0.000 0.790 855 A HN 0.381 nan 8.150 nan 0.000 0.472 856 N N 0.801 119.484 118.700 -0.029 0.000 2.421 856 N HA -0.006 4.734 4.740 0.001 0.000 0.201 856 N C 0.473 176.121 175.510 0.230 0.000 1.198 856 N CA 0.213 53.302 53.050 0.065 0.000 0.838 856 N CB -0.050 38.354 38.487 -0.138 0.000 1.011 856 N HN 0.418 nan 8.380 nan 0.000 0.463 857 N N -0.116 118.559 118.700 -0.042 0.000 2.409 857 N HA 0.148 4.888 4.740 0.001 0.000 0.174 857 N C 1.654 176.900 175.510 -0.441 0.000 1.037 857 N CA 0.111 52.948 53.050 -0.354 0.000 0.898 857 N CB 0.145 38.129 38.487 -0.838 0.000 1.010 857 N HN 0.210 nan 8.380 nan 0.000 0.445 858 L N 0.162 121.249 121.223 -0.226 0.000 2.042 858 L HA -0.086 4.255 4.340 0.001 0.000 0.210 858 L C 1.425 178.297 176.870 0.004 0.000 1.076 858 L CA 0.985 55.772 54.840 -0.088 0.000 0.749 858 L CB -0.305 41.741 42.059 -0.022 0.000 0.893 858 L HN -0.021 nan 8.230 nan 0.000 0.432 859 V N -0.549 119.408 119.914 0.072 0.000 3.649 859 V HA 0.078 4.199 4.120 0.001 0.000 0.275 859 V C 2.272 178.429 176.094 0.105 0.000 1.281 859 V CA 0.724 63.105 62.300 0.135 0.000 1.143 859 V CB -0.351 31.603 31.823 0.219 0.000 0.892 859 V HN 0.354 nan 8.190 nan 0.000 0.441 860 A N 1.999 124.833 122.820 0.023 0.000 1.851 860 A HA -0.270 4.050 4.320 0.001 0.000 0.216 860 A C 2.260 179.698 177.584 -0.243 0.000 1.195 860 A CA 2.152 54.050 52.037 -0.232 0.000 0.622 860 A CB -0.422 18.494 19.000 -0.140 0.000 0.831 860 A HN 0.739 nan 8.150 nan 0.000 0.444 861 E N -0.560 119.598 120.200 -0.070 0.000 2.150 861 E HA 0.024 4.375 4.350 0.001 0.000 0.193 861 E C 1.930 178.495 176.600 -0.057 0.000 0.985 861 E CA 1.078 57.442 56.400 -0.061 0.000 0.814 861 E CB -0.772 28.932 29.700 0.008 0.000 0.752 861 E HN 0.405 nan 8.360 nan 0.000 0.466 862 G N 1.578 110.366 108.800 -0.020 0.000 2.491 862 G HA2 -0.282 3.679 3.960 0.001 0.000 0.218 862 G HA3 -0.282 3.679 3.960 0.001 0.000 0.218 862 G C 1.733 176.632 174.900 -0.002 0.000 1.180 862 G CA 1.358 46.461 45.100 0.006 0.000 0.774 862 G HN 0.233 nan 8.290 nan 0.000 0.562 863 V N 0.575 120.481 119.914 -0.013 0.000 2.490 863 V HA -0.134 3.987 4.120 0.001 0.000 0.250 863 V C 2.528 178.589 176.094 -0.056 0.000 1.061 863 V CA 2.088 64.391 62.300 0.005 0.000 1.064 863 V CB -0.355 31.492 31.823 0.039 0.000 0.670 863 V HN 0.497 nan 8.190 nan 0.000 0.461 864 E N -0.122 119.992 120.200 -0.144 0.000 2.208 864 E HA -0.196 4.155 4.350 0.001 0.000 0.193 864 E C 2.242 178.798 176.600 -0.075 0.000 0.988 864 E CA 0.614 56.925 56.400 -0.147 0.000 0.828 864 E CB -0.004 29.569 29.700 -0.212 0.000 0.763 864 E HN 0.529 nan 8.360 nan 0.000 0.478 865 K N 0.240 120.611 120.400 -0.047 0.000 2.127 865 K HA -0.144 4.176 4.320 0.001 0.000 0.208 865 K C 1.477 178.077 176.600 -0.000 0.000 1.047 865 K CA 0.950 57.225 56.287 -0.020 0.000 0.927 865 K CB -0.085 32.412 32.500 -0.005 0.000 0.716 865 K HN 0.227 nan 8.250 nan 0.000 0.450 866 L N 0.382 121.614 121.223 0.016 0.000 2.762 866 L HA 0.044 4.385 4.340 0.001 0.000 0.250 866 L C 0.836 177.735 176.870 0.047 0.000 1.160 866 L CA 0.417 55.280 54.840 0.039 0.000 0.951 866 L CB -0.707 41.389 42.059 0.062 0.000 1.148 866 L HN 0.460 nan 8.230 nan 0.000 0.424 867 G N 0.104 108.924 108.800 0.034 0.000 2.137 867 G HA2 -0.230 3.730 3.960 0.001 0.000 0.237 867 G HA3 -0.230 3.730 3.960 0.001 0.000 0.237 867 G C -0.179 174.797 174.900 0.128 0.000 1.002 867 G CA 0.294 45.428 45.100 0.057 0.000 0.702 867 G HN 0.256 nan 8.290 nan 0.000 0.515 868 V N -0.871 119.093 119.914 0.083 0.000 3.155 868 V HA 0.978 5.099 4.120 0.001 0.000 0.313 868 V C -0.107 175.914 176.094 -0.121 0.000 1.162 868 V CA -0.825 61.557 62.300 0.138 0.000 1.048 868 V CB 2.065 33.997 31.823 0.183 0.000 1.092 868 V HN 0.783 nan 8.190 nan 0.000 0.447 869 R N 1.222 121.571 120.500 -0.251 0.000 2.621 869 R HA 0.715 5.056 4.340 0.001 0.000 0.292 869 R C -0.706 175.310 176.300 -0.474 0.000 0.969 869 R CA 0.303 56.095 56.100 -0.514 0.000 0.887 869 R CB 1.886 31.628 30.300 -0.930 0.000 1.180 869 R HN 0.989 nan 8.270 nan 0.000 0.450 870 T N 0.450 114.691 114.554 -0.522 0.000 2.952 870 T HA 0.661 5.012 4.350 0.001 0.000 0.286 870 T C -0.607 173.819 174.700 -0.456 0.000 1.024 870 T CA -0.536 61.313 62.100 -0.418 0.000 1.029 870 T CB 0.762 69.234 68.868 -0.660 0.000 1.094 870 T HN 0.270 nan 8.240 nan 0.000 0.515 871 F N 0.983 120.934 119.950 0.001 0.000 2.538 871 F HA 0.629 5.156 4.527 0.001 0.000 0.325 871 F C 1.037 176.872 175.800 0.059 0.000 1.066 871 F CA -0.924 57.106 58.000 0.050 0.000 0.946 871 F CB 2.055 41.137 39.000 0.135 0.000 1.199 871 F HN 0.889 nan 8.300 nan 0.000 0.473 872 S N 0.738 116.559 115.700 0.202 0.000 2.669 872 S HA 0.231 4.701 4.470 0.001 0.000 0.270 872 S C 0.610 175.337 174.600 0.212 0.000 1.225 872 S CA -0.610 57.688 58.200 0.164 0.000 0.991 872 S CB 1.169 64.418 63.200 0.081 0.000 0.987 872 S HN 0.746 nan 8.310 nan 0.000 0.552 873 Q N 0.697 120.604 119.800 0.178 0.000 2.046 873 Q HA -0.174 4.167 4.340 0.001 0.000 0.200 873 Q C 2.346 178.457 176.000 0.186 0.000 0.975 873 Q CA 1.450 57.357 55.803 0.174 0.000 0.836 873 Q CB -0.392 28.428 28.738 0.138 0.000 0.896 873 Q HN 0.897 nan 8.270 nan 0.000 0.428 874 Q N 1.419 121.326 119.800 0.178 0.000 2.181 874 Q HA -0.202 4.138 4.340 0.001 0.000 0.205 874 Q C 1.354 177.558 176.000 0.340 0.000 0.980 874 Q CA 1.546 57.476 55.803 0.211 0.000 0.862 874 Q CB -0.263 28.585 28.738 0.182 0.000 0.905 874 Q HN 0.522 nan 8.270 nan 0.000 0.429 875 E N 0.294 120.680 120.200 0.310 0.000 2.015 875 E HA -0.078 4.272 4.350 0.001 0.000 0.191 875 E C 2.181 179.050 176.600 0.449 0.000 0.991 875 E CA 1.144 57.737 56.400 0.321 0.000 0.802 875 E CB -0.057 29.658 29.700 0.026 0.000 0.759 875 E HN 0.220 nan 8.360 nan 0.000 0.447 876 M N 0.346 120.134 119.600 0.314 0.000 2.202 876 M HA -0.146 4.334 4.480 0.001 0.000 0.262 876 M C 2.300 178.730 176.300 0.218 0.000 1.063 876 M CA 1.173 56.586 55.300 0.188 0.000 1.097 876 M CB -0.831 31.832 32.600 0.105 0.000 1.382 876 M HN 0.139 nan 8.290 nan 0.000 0.413 877 A N -0.436 122.528 122.820 0.240 0.000 1.873 877 A HA -0.188 4.133 4.320 0.001 0.000 0.215 877 A C 2.015 179.758 177.584 0.266 0.000 1.186 877 A CA 1.151 53.291 52.037 0.171 0.000 0.616 877 A CB -1.020 18.043 19.000 0.105 0.000 0.823 877 A HN 0.419 nan 8.150 nan 0.000 0.442 878 F N 2.139 122.259 119.950 0.284 0.000 2.043 878 F HA -0.287 4.241 4.527 0.001 0.000 0.297 878 F C 1.948 177.991 175.800 0.404 0.000 1.121 878 F CA 2.276 60.541 58.000 0.442 0.000 1.199 878 F CB -0.639 38.679 39.000 0.531 0.000 0.968 878 F HN 0.252 nan 8.300 nan 0.000 0.478 879 N N 0.774 119.652 118.700 0.297 0.000 2.094 879 N HA -0.214 4.527 4.740 0.001 0.000 0.191 879 N C 2.062 177.657 175.510 0.142 0.000 1.023 879 N CA 1.950 55.109 53.050 0.182 0.000 0.857 879 N CB -0.813 37.820 38.487 0.244 0.000 1.013 879 N HN 0.383 nan 8.380 nan 0.000 0.426 880 L N 0.260 121.559 121.223 0.127 0.000 2.023 880 L HA -0.042 4.298 4.340 0.001 0.000 0.205 880 L C 2.111 179.029 176.870 0.080 0.000 1.073 880 L CA 0.626 55.517 54.840 0.084 0.000 0.745 880 L CB -0.458 41.651 42.059 0.084 0.000 0.900 880 L HN 0.086 nan 8.230 nan 0.000 0.435 881 L N -0.204 121.072 121.223 0.088 0.000 2.263 881 L HA -0.193 4.148 4.340 0.001 0.000 0.216 881 L C 2.523 179.540 176.870 0.245 0.000 1.111 881 L CA 1.183 56.118 54.840 0.159 0.000 0.773 881 L CB -0.996 41.180 42.059 0.195 0.000 0.906 881 L HN 0.339 nan 8.230 nan 0.000 0.439 882 G N 0.285 109.180 108.800 0.158 0.000 2.421 882 G HA2 -0.209 3.751 3.960 0.001 0.000 0.216 882 G HA3 -0.209 3.751 3.960 0.001 0.000 0.216 882 G C 1.436 176.492 174.900 0.260 0.000 1.171 882 G CA 0.611 45.837 45.100 0.210 0.000 0.775 882 G HN 0.377 nan 8.290 nan 0.000 0.543 883 L N 0.339 121.643 121.223 0.134 0.000 2.551 883 L HA 0.136 4.476 4.340 0.001 0.000 0.228 883 L C 2.541 179.502 176.870 0.152 0.000 1.153 883 L CA 0.131 54.991 54.840 0.034 0.000 0.851 883 L CB -0.419 41.588 42.059 -0.088 0.000 0.959 883 L HN 0.176 nan 8.230 nan 0.000 0.451 884 M N 0.289 120.034 119.600 0.242 0.000 2.476 884 M HA 0.153 4.634 4.480 0.001 0.000 0.262 884 M C 1.271 177.864 176.300 0.489 0.000 1.111 884 M CA 0.214 55.769 55.300 0.424 0.000 1.127 884 M CB -0.429 32.342 32.600 0.284 0.000 1.376 884 M HN 0.219 nan 8.290 nan 0.000 0.465 885 A N 1.779 124.790 122.820 0.318 0.000 2.445 885 A HA 0.217 4.537 4.320 0.001 0.000 0.242 885 A C -1.447 176.240 177.584 0.171 0.000 1.075 885 A CA -0.988 51.172 52.037 0.206 0.000 0.777 885 A CB -0.322 18.763 19.000 0.142 0.000 1.013 885 A HN 0.105 nan 8.150 nan 0.000 0.493 886 P HA -0.232 nan 4.420 nan 0.000 0.216 886 P C 1.701 179.049 177.300 0.079 0.000 1.153 886 P CA 2.379 65.534 63.100 0.090 0.000 0.858 886 P CB 0.046 31.779 31.700 0.055 0.000 0.789 887 A N -0.256 122.614 122.820 0.083 0.000 1.859 887 A HA -0.255 4.066 4.320 0.001 0.000 0.218 887 A C 2.270 179.907 177.584 0.088 0.000 1.209 887 A CA 2.170 54.257 52.037 0.084 0.000 0.639 887 A CB -1.715 17.345 19.000 0.100 0.000 0.835 887 A HN 0.127 nan 8.150 nan 0.000 0.450 888 I N -0.555 120.079 120.570 0.107 0.000 2.315 888 I HA -0.189 3.982 4.170 0.001 0.000 0.248 888 I C 2.333 178.485 176.117 0.059 0.000 1.117 888 I CA 0.933 62.283 61.300 0.084 0.000 1.404 888 I CB -0.274 37.774 38.000 0.080 0.000 1.071 888 I HN 0.172 nan 8.210 nan 0.000 0.419 889 V N 1.282 121.240 119.914 0.073 0.000 2.380 889 V HA -0.330 3.790 4.120 0.001 0.000 0.251 889 V C 2.061 178.171 176.094 0.027 0.000 1.063 889 V CA 2.003 64.330 62.300 0.046 0.000 1.055 889 V CB -0.825 31.025 31.823 0.046 0.000 0.657 889 V HN 0.511 nan 8.190 nan 0.000 0.455 890 N N -0.284 118.439 118.700 0.037 0.000 2.300 890 N HA -0.007 4.734 4.740 0.001 0.000 0.179 890 N C 1.852 177.380 175.510 0.031 0.000 1.016 890 N CA 0.985 54.056 53.050 0.035 0.000 0.876 890 N CB -0.035 38.475 38.487 0.038 0.000 0.979 890 N HN 0.402 nan 8.380 nan 0.000 0.432 891 L N 0.703 121.944 121.223 0.030 0.000 2.042 891 L HA -0.211 4.129 4.340 0.001 0.000 0.210 891 L C 2.546 179.400 176.870 -0.026 0.000 1.076 891 L CA 1.037 55.889 54.840 0.019 0.000 0.749 891 L CB -0.594 41.485 42.059 0.034 0.000 0.893 891 L HN 0.238 nan 8.230 nan 0.000 0.432 892 C N -0.446 118.829 119.300 -0.041 0.000 2.422 892 C HA -0.161 4.299 4.460 0.001 0.000 0.279 892 C C 2.758 177.668 174.990 -0.134 0.000 1.305 892 C CA 0.641 59.587 59.018 -0.119 0.000 1.757 892 C CB -0.893 26.806 27.740 -0.069 0.000 1.962 892 C HN 0.540 nan 8.230 nan 0.000 0.499 893 Q N 0.663 120.462 119.800 -0.002 0.000 2.369 893 Q HA -0.094 4.247 4.340 0.001 0.000 0.206 893 Q C 2.123 178.221 176.000 0.164 0.000 0.963 893 Q CA 1.718 57.586 55.803 0.110 0.000 0.894 893 Q CB -0.100 28.693 28.738 0.091 0.000 0.965 893 Q HN 0.877 nan 8.270 nan 0.000 0.475 894 S N -1.196 114.538 115.700 0.056 0.000 2.539 894 S HA 0.132 4.602 4.470 0.001 0.000 0.226 894 S C 0.120 174.727 174.600 0.012 0.000 1.054 894 S CA -0.271 57.998 58.200 0.115 0.000 0.910 894 S CB 0.707 63.960 63.200 0.088 0.000 0.818 894 S HN 0.016 nan 8.310 nan 0.000 0.490 895 D N 1.637 121.902 120.400 -0.224 0.000 2.931 895 D HA 0.424 5.064 4.640 0.001 0.000 0.215 895 D C -3.210 172.836 176.300 -0.424 0.000 1.297 895 D CA -1.307 52.523 54.000 -0.283 0.000 0.892 895 D CB 2.068 42.874 40.800 0.010 0.000 1.642 895 D HN -0.095 nan 8.370 nan 0.000 0.560 896 P HA -0.047 nan 4.420 nan 0.000 0.264 896 P C -0.470 176.840 177.300 0.016 0.000 1.173 896 P CA 0.032 62.947 63.100 -0.309 0.000 0.761 896 P CB 0.642 32.285 31.700 -0.095 0.000 0.794 897 V N 4.804 124.746 119.914 0.046 0.000 2.448 897 V HA 0.355 4.476 4.120 0.001 0.000 0.295 897 V C -0.114 175.988 176.094 0.013 0.000 1.025 897 V CA -0.492 61.842 62.300 0.056 0.000 0.859 897 V CB 0.993 32.813 31.823 -0.004 0.000 0.988 897 V HN 0.414 nan 8.190 nan 0.000 0.431 898 F N 3.612 123.385 119.950 -0.295 0.000 2.377 898 F HA 0.726 5.254 4.527 0.001 0.000 0.328 898 F C 0.406 176.056 175.800 -0.249 0.000 1.094 898 F CA -0.237 57.451 58.000 -0.521 0.000 1.093 898 F CB 1.407 39.770 39.000 -1.061 0.000 1.214 898 F HN 0.525 nan 8.300 nan 0.000 0.518 899 A N 4.485 127.352 122.820 0.077 0.000 2.969 899 A HA 0.173 4.494 4.320 0.001 0.000 0.303 899 A C -1.326 176.241 177.584 -0.029 0.000 1.198 899 A CA -0.659 51.364 52.037 -0.024 0.000 0.819 899 A CB -0.034 18.852 19.000 -0.190 0.000 1.385 899 A HN 0.651 nan 8.150 nan 0.000 0.479 900 D N 2.872 123.271 120.400 -0.002 0.000 2.346 900 D HA 0.108 4.748 4.640 0.001 0.000 0.267 900 D C 0.274 176.502 176.300 -0.120 0.000 1.320 900 D CA 0.284 54.225 54.000 -0.098 0.000 0.951 900 D CB 0.419 40.976 40.800 -0.405 0.000 1.079 900 D HN 0.538 nan 8.370 nan 0.000 0.509 901 L N 3.320 124.516 121.223 -0.045 0.000 2.928 901 L HA 0.175 4.515 4.340 0.001 0.000 0.246 901 L C 0.758 177.608 176.870 -0.033 0.000 1.239 901 L CA -0.550 54.267 54.840 -0.038 0.000 1.035 901 L CB -0.476 41.523 42.059 -0.099 0.000 1.360 901 L HN 0.173 nan 8.230 nan 0.000 0.529 902 N N 1.086 119.855 118.700 0.116 0.000 2.518 902 N HA 0.141 4.882 4.740 0.001 0.000 0.283 902 N C 1.068 176.883 175.510 0.509 0.000 1.119 902 N CA -0.053 53.159 53.050 0.269 0.000 0.983 902 N CB 1.883 40.519 38.487 0.248 0.000 1.139 902 N HN 0.152 nan 8.380 nan 0.000 0.465 903 G N 1.189 110.415 108.800 0.711 0.000 3.262 903 G HA2 0.235 4.196 3.960 0.001 0.000 0.222 903 G HA3 0.235 4.196 3.960 0.001 0.000 0.222 903 G C 0.918 176.224 174.900 0.677 0.000 1.269 903 G CA 0.147 45.638 45.100 0.652 0.000 1.032 903 G HN 1.025 nan 8.290 nan 0.000 0.502 904 G N -0.570 108.640 108.800 0.684 0.000 2.143 904 G HA2 -0.294 3.666 3.960 0.001 0.000 0.248 904 G HA3 -0.294 3.666 3.960 0.001 0.000 0.248 904 G C 1.018 176.243 174.900 0.542 0.000 0.991 904 G CA 0.353 45.816 45.100 0.604 0.000 0.689 904 G HN 0.510 nan 8.290 nan 0.000 0.522 905 L N -0.180 121.319 121.223 0.459 0.000 2.633 905 L HA 0.033 4.374 4.340 0.001 0.000 0.235 905 L C 2.484 179.561 176.870 0.345 0.000 1.163 905 L CA 1.312 56.386 54.840 0.390 0.000 0.859 905 L CB -0.088 42.205 42.059 0.389 0.000 0.973 905 L HN 0.359 nan 8.230 nan 0.000 0.451 906 Q N -1.084 118.933 119.800 0.362 0.000 2.541 906 Q HA -0.072 4.269 4.340 0.001 0.000 0.215 906 Q C 1.095 177.059 176.000 -0.061 0.000 0.977 906 Q CA 1.232 57.112 55.803 0.128 0.000 0.934 906 Q CB -0.151 28.607 28.738 0.033 0.000 0.988 906 Q HN 0.489 nan 8.270 nan 0.000 0.521 907 F N -0.815 119.199 119.950 0.107 0.000 2.752 907 F HA 0.290 4.817 4.527 0.001 0.000 0.310 907 F C 0.453 176.300 175.800 0.079 0.000 1.097 907 F CA -0.557 57.490 58.000 0.078 0.000 1.238 907 F CB 0.761 39.801 39.000 0.066 0.000 1.061 907 F HN -0.091 nan 8.300 nan 0.000 0.591 908 I N 3.810 124.542 120.570 0.271 0.000 2.347 908 I HA 0.204 4.375 4.170 0.001 0.000 0.294 908 I C -2.435 173.752 176.117 0.116 0.000 1.090 908 I CA -1.662 59.746 61.300 0.180 0.000 1.314 908 I CB -0.176 37.940 38.000 0.192 0.000 1.423 908 I HN -0.203 nan 8.210 nan 0.000 0.503 909 P HA 0.239 nan 4.420 nan 0.000 0.285 909 P C -0.216 177.081 177.300 -0.005 0.000 1.269 909 P CA -0.354 62.761 63.100 0.025 0.000 0.844 909 P CB 0.677 32.390 31.700 0.021 0.000 1.094 910 D N -0.113 120.257 120.400 -0.049 0.000 2.708 910 D HA -0.148 4.492 4.640 0.001 0.000 0.236 910 D C 0.737 176.967 176.300 -0.117 0.000 1.146 910 D CA 0.158 54.104 54.000 -0.090 0.000 0.662 910 D CB -0.623 40.148 40.800 -0.048 0.000 1.059 910 D HN 0.188 nan 8.370 nan 0.000 0.428 911 L N 1.462 122.590 121.223 -0.160 0.000 2.042 911 L HA -0.163 4.177 4.340 0.001 0.000 0.210 911 L C 2.495 179.222 176.870 -0.237 0.000 1.076 911 L CA 2.892 57.657 54.840 -0.125 0.000 0.749 911 L CB -0.771 41.256 42.059 -0.054 0.000 0.893 911 L HN 0.471 nan 8.230 nan 0.000 0.432 912 K N -1.368 118.677 120.400 -0.592 0.000 2.147 912 K HA -0.082 4.239 4.320 0.001 0.000 0.205 912 K C 1.944 178.458 176.600 -0.143 0.000 1.049 912 K CA 1.520 57.528 56.287 -0.466 0.000 0.936 912 K CB -1.008 31.122 32.500 -0.616 0.000 0.722 912 K HN 0.325 nan 8.250 nan 0.000 0.446 913 G N 2.040 110.766 108.800 -0.124 0.000 2.404 913 G HA2 -0.236 3.725 3.960 0.001 0.000 0.215 913 G HA3 -0.236 3.725 3.960 0.001 0.000 0.215 913 G C 1.463 176.360 174.900 -0.005 0.000 1.174 913 G CA 0.826 45.898 45.100 -0.046 0.000 0.780 913 G HN 0.311 nan 8.290 nan 0.000 0.537 914 L N 0.779 122.005 121.223 0.006 0.000 1.990 914 L HA -0.107 4.234 4.340 0.001 0.000 0.213 914 L C 2.801 179.716 176.870 0.075 0.000 1.072 914 L CA 2.128 56.997 54.840 0.048 0.000 0.755 914 L CB -0.677 41.425 42.059 0.072 0.000 0.889 914 L HN 0.289 nan 8.230 nan 0.000 0.432 915 M N -0.416 119.244 119.600 0.100 0.000 2.084 915 M HA -0.217 4.263 4.480 0.001 0.000 0.259 915 M C 2.201 178.558 176.300 0.094 0.000 1.072 915 M CA 2.769 58.153 55.300 0.141 0.000 1.107 915 M CB -1.473 31.237 32.600 0.183 0.000 1.299 915 M HN 0.591 nan 8.290 nan 0.000 0.413 916 T N -0.949 113.645 114.554 0.066 0.000 2.822 916 T HA -0.208 4.142 4.350 0.001 0.000 0.270 916 T C 1.692 176.418 174.700 0.042 0.000 1.064 916 T CA 1.734 63.863 62.100 0.048 0.000 1.131 916 T CB -0.444 68.443 68.868 0.032 0.000 0.858 916 T HN 0.422 nan 8.240 nan 0.000 0.483 917 K N 0.842 121.267 120.400 0.042 0.000 2.001 917 K HA 0.030 4.350 4.320 0.001 0.000 0.208 917 K C 2.366 178.993 176.600 0.044 0.000 1.048 917 K CA 1.132 57.442 56.287 0.038 0.000 0.932 917 K CB -0.348 32.174 32.500 0.036 0.000 0.715 917 K HN 0.365 nan 8.250 nan 0.000 0.437 918 L N 0.812 122.070 121.223 0.058 0.000 2.017 918 L HA -0.162 4.179 4.340 0.001 0.000 0.208 918 L C 2.796 179.699 176.870 0.055 0.000 1.073 918 L CA 0.975 55.851 54.840 0.060 0.000 0.745 918 L CB -0.418 41.689 42.059 0.080 0.000 0.894 918 L HN 0.201 nan 8.230 nan 0.000 0.432 919 R N 0.353 120.889 120.500 0.061 0.000 2.133 919 R HA -0.285 4.056 4.340 0.001 0.000 0.245 919 R C 2.257 178.579 176.300 0.037 0.000 1.137 919 R CA 2.128 58.258 56.100 0.049 0.000 0.947 919 R CB -0.493 29.837 30.300 0.048 0.000 0.865 919 R HN 0.348 nan 8.270 nan 0.000 0.437 920 K N 0.745 121.166 120.400 0.035 0.000 1.969 920 K HA -0.193 4.128 4.320 0.001 0.000 0.216 920 K C 1.999 178.616 176.600 0.028 0.000 1.048 920 K CA 2.073 58.377 56.287 0.028 0.000 0.948 920 K CB -0.117 32.398 32.500 0.026 0.000 0.726 920 K HN 0.213 nan 8.250 nan 0.000 0.442 921 E N 0.550 120.768 120.200 0.030 0.000 2.086 921 E HA -0.270 4.081 4.350 0.001 0.000 0.205 921 E C 2.081 178.699 176.600 0.029 0.000 1.027 921 E CA 2.187 58.604 56.400 0.028 0.000 0.830 921 E CB -0.370 29.349 29.700 0.030 0.000 0.751 921 E HN 0.389 nan 8.360 nan 0.000 0.456 922 I N 0.370 120.959 120.570 0.032 0.000 2.163 922 I HA -0.295 3.875 4.170 0.001 0.000 0.243 922 I C 2.492 178.626 176.117 0.029 0.000 1.085 922 I CA 0.911 62.230 61.300 0.033 0.000 1.347 922 I CB -0.326 37.696 38.000 0.037 0.000 1.044 922 I HN 0.195 nan 8.210 nan 0.000 0.408 923 M N 0.082 119.698 119.600 0.027 0.000 2.159 923 M HA -0.187 4.293 4.480 0.001 0.000 0.263 923 M C 2.144 178.458 176.300 0.022 0.000 1.063 923 M CA 1.597 56.911 55.300 0.024 0.000 1.110 923 M CB -1.136 31.477 32.600 0.022 0.000 1.374 923 M HN 0.284 nan 8.290 nan 0.000 0.411 924 E N 0.003 120.217 120.200 0.022 0.000 2.008 924 E HA -0.162 4.189 4.350 0.001 0.000 0.191 924 E C 1.867 178.479 176.600 0.020 0.000 0.986 924 E CA 2.068 58.481 56.400 0.020 0.000 0.807 924 E CB 0.065 29.777 29.700 0.020 0.000 0.766 924 E HN 0.567 nan 8.360 nan 0.000 0.450 925 T N -0.811 113.756 114.554 0.021 0.000 2.803 925 T HA -0.213 4.138 4.350 0.001 0.000 0.269 925 T C 2.119 176.832 174.700 0.021 0.000 1.052 925 T CA 1.800 63.912 62.100 0.021 0.000 1.136 925 T CB -0.583 68.298 68.868 0.021 0.000 0.864 925 T HN 0.201 nan 8.240 nan 0.000 0.467 926 S N 2.296 118.010 115.700 0.023 0.000 2.368 926 S HA 0.150 4.621 4.470 0.001 0.000 0.224 926 S C 2.517 177.129 174.600 0.021 0.000 1.029 926 S CA 0.881 59.095 58.200 0.023 0.000 0.988 926 S CB -0.999 62.216 63.200 0.026 0.000 0.838 926 S HN 0.765 nan 8.310 nan 0.000 0.462 927 A N 2.227 125.059 122.820 0.020 0.000 1.883 927 A HA 0.047 4.367 4.320 0.001 0.000 0.217 927 A C 2.266 179.861 177.584 0.017 0.000 1.186 927 A CA 1.611 53.659 52.037 0.018 0.000 0.624 927 A CB -0.994 18.016 19.000 0.018 0.000 0.822 927 A HN 0.620 nan 8.150 nan 0.000 0.444 928 I N -1.103 119.477 120.570 0.017 0.000 2.163 928 I HA -0.308 3.862 4.170 0.001 0.000 0.243 928 I C 2.753 178.880 176.117 0.016 0.000 1.085 928 I CA 1.985 63.295 61.300 0.016 0.000 1.347 928 I CB -0.404 37.606 38.000 0.016 0.000 1.044 928 I HN 0.380 nan 8.210 nan 0.000 0.408 929 R N 1.083 121.593 120.500 0.017 0.000 2.083 929 R HA -0.233 4.108 4.340 0.001 0.000 0.237 929 R C 2.434 178.745 176.300 0.018 0.000 1.137 929 R CA 2.040 58.150 56.100 0.017 0.000 0.951 929 R CB -0.168 30.143 30.300 0.018 0.000 0.851 929 R HN 0.560 nan 8.270 nan 0.000 0.434 930 Q N -0.924 118.887 119.800 0.018 0.000 2.311 930 Q HA 0.057 4.397 4.340 0.001 0.000 0.203 930 Q C 1.896 177.907 176.000 0.018 0.000 0.954 930 Q CA 0.859 56.673 55.803 0.019 0.000 0.885 930 Q CB -0.041 28.709 28.738 0.019 0.000 0.963 930 Q HN 0.308 nan 8.270 nan 0.000 0.471 931 A N 1.930 124.760 122.820 0.017 0.000 1.841 931 A HA -0.154 4.166 4.320 0.001 0.000 0.216 931 A C 2.419 180.013 177.584 0.016 0.000 1.199 931 A CA 1.789 53.835 52.037 0.016 0.000 0.621 931 A CB -1.145 17.864 19.000 0.015 0.000 0.835 931 A HN 0.202 nan 8.150 nan 0.000 0.445 932 V N 0.566 120.489 119.914 0.015 0.000 2.277 932 V HA -0.376 3.744 4.120 0.001 0.000 0.253 932 V C 2.450 178.553 176.094 0.016 0.000 1.067 932 V CA 2.363 64.671 62.300 0.015 0.000 1.047 932 V CB -0.897 30.935 31.823 0.014 0.000 0.649 932 V HN 0.578 nan 8.190 nan 0.000 0.447 933 I N -0.748 119.832 120.570 0.017 0.000 2.113 933 I HA -0.354 3.816 4.170 0.001 0.000 0.242 933 I C 2.641 178.770 176.117 0.020 0.000 1.064 933 I CA 2.031 63.342 61.300 0.019 0.000 1.320 933 I CB -0.567 37.444 38.000 0.019 0.000 1.028 933 I HN 0.297 nan 8.210 nan 0.000 0.406 934 K N 0.354 120.766 120.400 0.019 0.000 2.009 934 K HA -0.217 4.103 4.320 0.001 0.000 0.210 934 K C 2.136 178.747 176.600 0.019 0.000 1.049 934 K CA 1.508 57.807 56.287 0.020 0.000 0.929 934 K CB -0.173 32.338 32.500 0.018 0.000 0.714 934 K HN 0.245 nan 8.250 nan 0.000 0.440 935 E N 0.035 120.245 120.200 0.017 0.000 2.048 935 E HA -0.224 4.126 4.350 0.001 0.000 0.202 935 E C 2.185 178.795 176.600 0.016 0.000 1.021 935 E CA 2.250 58.659 56.400 0.015 0.000 0.825 935 E CB -0.728 28.980 29.700 0.014 0.000 0.756 935 E HN 0.536 nan 8.360 nan 0.000 0.454 936 T N -0.607 113.957 114.554 0.016 0.000 2.737 936 T HA -0.015 4.335 4.350 0.001 0.000 0.265 936 T C 2.077 176.789 174.700 0.020 0.000 1.038 936 T CA 1.673 63.782 62.100 0.016 0.000 1.144 936 T CB -0.390 68.487 68.868 0.015 0.000 0.866 936 T HN 0.176 nan 8.240 nan 0.000 0.434 937 A N 0.654 123.488 122.820 0.023 0.000 2.121 937 A HA 0.237 4.558 4.320 0.001 0.000 0.218 937 A C 2.262 179.865 177.584 0.031 0.000 1.154 937 A CA 0.854 52.909 52.037 0.029 0.000 0.679 937 A CB -0.817 18.201 19.000 0.031 0.000 0.795 937 A HN 0.637 nan 8.150 nan 0.000 0.458 938 I N -1.200 119.385 120.570 0.025 0.000 2.703 938 I HA -0.099 4.072 4.170 0.001 0.000 0.259 938 I C 2.205 178.335 176.117 0.022 0.000 1.151 938 I CA 0.633 61.947 61.300 0.024 0.000 1.470 938 I CB -0.124 37.889 38.000 0.021 0.000 1.112 938 I HN 0.338 nan 8.210 nan 0.000 0.437 939 E N 0.881 121.092 120.200 0.018 0.000 2.153 939 E HA -0.192 4.158 4.350 0.001 0.000 0.194 939 E C 1.627 178.235 176.600 0.013 0.000 0.988 939 E CA 0.916 57.324 56.400 0.013 0.000 0.811 939 E CB -0.052 29.654 29.700 0.009 0.000 0.746 939 E HN 0.446 nan 8.360 nan 0.000 0.466 940 N N 1.015 119.727 118.700 0.020 0.000 2.142 940 N HA -0.117 4.623 4.740 0.001 0.000 0.186 940 N C 1.419 176.951 175.510 0.037 0.000 1.023 940 N CA 0.970 54.035 53.050 0.025 0.000 0.852 940 N CB -0.088 38.424 38.487 0.041 0.000 0.998 940 N HN 0.057 nan 8.380 nan 0.000 0.424 941 K N 0.154 120.580 120.400 0.042 0.000 2.209 941 K HA 0.015 4.336 4.320 0.001 0.000 0.204 941 K C 1.755 178.376 176.600 0.034 0.000 1.048 941 K CA 0.388 56.703 56.287 0.047 0.000 0.940 941 K CB 0.058 32.584 32.500 0.043 0.000 0.729 941 K HN -0.041 nan 8.250 nan 0.000 0.451 942 V N -0.026 119.902 119.914 0.022 0.000 2.379 942 V HA -0.174 3.947 4.120 0.001 0.000 0.245 942 V C 1.947 178.044 176.094 0.006 0.000 1.044 942 V CA 1.341 63.650 62.300 0.014 0.000 1.036 942 V CB 0.125 31.954 31.823 0.010 0.000 0.664 942 V HN 0.075 nan 8.190 nan 0.000 0.453 943 V N 0.328 120.241 119.914 -0.002 0.000 2.426 943 V HA -0.039 4.082 4.120 0.001 0.000 0.242 943 V C 1.870 177.940 176.094 -0.039 0.000 1.036 943 V CA 1.540 63.827 62.300 -0.021 0.000 1.044 943 V CB -0.565 31.240 31.823 -0.031 0.000 0.688 943 V HN 0.542 nan 8.190 nan 0.000 0.462 944 N N 0.427 119.102 118.700 -0.041 0.000 2.398 944 N HA 0.234 4.974 4.740 0.001 0.000 0.188 944 N C 0.901 176.425 175.510 0.024 0.000 1.122 944 N CA 0.922 53.922 53.050 -0.082 0.000 0.866 944 N CB 0.269 38.666 38.487 -0.150 0.000 0.970 944 N HN 0.538 nan 8.380 nan 0.000 0.462 945 G N 1.001 109.824 108.800 0.039 0.000 2.787 945 G HA2 -0.249 3.711 3.960 0.001 0.000 0.685 945 G HA3 -0.249 3.711 3.960 0.001 0.000 0.685 945 G C 0.363 175.315 174.900 0.087 0.000 1.437 945 G CA -0.253 44.882 45.100 0.058 0.000 0.872 945 G HN 0.063 nan 8.290 nan 0.000 0.566 946 E N 0.185 120.427 120.200 0.070 0.000 2.077 946 E HA -0.033 4.317 4.350 0.001 0.000 0.193 946 E C 2.192 178.846 176.600 0.089 0.000 0.989 946 E CA 1.941 58.383 56.400 0.069 0.000 0.800 946 E CB -0.127 29.602 29.700 0.049 0.000 0.746 946 E HN 0.560 nan 8.360 nan 0.000 0.452 947 D N -0.681 119.776 120.400 0.095 0.000 2.078 947 D HA -0.187 4.453 4.640 0.001 0.000 0.193 947 D C 1.937 178.330 176.300 0.155 0.000 0.990 947 D CA 1.293 55.354 54.000 0.101 0.000 0.827 947 D CB -0.684 40.172 40.800 0.093 0.000 0.975 947 D HN 0.309 nan 8.370 nan 0.000 0.451 948 H N 1.365 120.503 119.070 0.113 0.000 2.267 948 H HA -0.122 4.434 4.556 0.001 0.000 0.297 948 H C 1.787 177.261 175.328 0.244 0.000 1.080 948 H CA 1.641 57.797 56.048 0.179 0.000 1.278 948 H CB 0.209 30.009 29.762 0.063 0.000 1.365 948 H HN 0.013 nan 8.280 nan 0.000 0.489 949 E N 0.712 121.077 120.200 0.275 0.000 2.049 949 E HA -0.167 4.184 4.350 0.001 0.000 0.198 949 E C 2.423 179.096 176.600 0.122 0.000 1.007 949 E CA 1.102 57.618 56.400 0.194 0.000 0.809 949 E CB -0.673 29.121 29.700 0.157 0.000 0.749 949 E HN 0.582 nan 8.360 nan 0.000 0.450 950 A N 1.433 124.308 122.820 0.091 0.000 1.873 950 A HA -0.182 4.138 4.320 0.001 0.000 0.218 950 A C 2.334 179.914 177.584 -0.007 0.000 1.193 950 A CA 1.606 53.668 52.037 0.042 0.000 0.629 950 A CB -0.876 18.143 19.000 0.031 0.000 0.826 950 A HN 0.259 nan 8.150 nan 0.000 0.447 951 L N -2.324 118.871 121.223 -0.047 0.000 2.633 951 L HA -0.063 4.277 4.340 0.001 0.000 0.235 951 L C 0.376 176.938 176.870 -0.514 0.000 1.163 951 L CA 0.594 55.271 54.840 -0.272 0.000 0.859 951 L CB -0.452 41.391 42.059 -0.360 0.000 0.973 951 L HN 0.489 nan 8.230 nan 0.000 0.451 952 Y N 0.101 120.326 120.300 -0.125 0.000 2.578 952 Y HA 0.366 4.917 4.550 0.001 0.000 0.317 952 Y C 0.210 176.077 175.900 -0.055 0.000 0.940 952 Y CA -0.592 57.441 58.100 -0.113 0.000 1.174 952 Y CB 0.320 38.661 38.460 -0.198 0.000 1.198 952 Y HN -0.013 nan 8.280 nan 0.000 0.597 953 R N 0.289 120.809 120.500 0.034 0.000 2.562 953 R HA 0.457 4.798 4.340 0.001 0.000 0.298 953 R C -0.239 176.069 176.300 0.014 0.000 0.961 953 R CA -1.149 54.972 56.100 0.035 0.000 0.881 953 R CB 1.652 31.968 30.300 0.027 0.000 1.159 953 R HN 0.246 nan 8.270 nan 0.000 0.450 954 R N 1.685 122.200 120.500 0.024 0.000 2.763 954 R HA -0.048 4.293 4.340 0.001 0.000 0.348 954 R C -0.285 176.020 176.300 0.008 0.000 0.826 954 R CA 0.249 56.359 56.100 0.017 0.000 1.109 954 R CB 0.024 30.337 30.300 0.022 0.000 0.889 954 R HN 0.304 nan 8.270 nan 0.000 0.402 955 V N 7.139 127.051 119.914 -0.002 0.000 2.403 955 V HA 0.040 4.161 4.120 0.001 0.000 0.265 955 V C 0.812 176.910 176.094 0.006 0.000 1.034 955 V CA 0.345 62.643 62.300 -0.003 0.000 1.036 955 V CB 0.332 32.145 31.823 -0.015 0.000 1.032 955 V HN 0.564 nan 8.190 nan 0.000 0.478 956 I N 5.601 126.179 120.570 0.013 0.000 2.291 956 I HA 0.190 4.360 4.170 0.001 0.000 0.290 956 I C 1.015 177.145 176.117 0.021 0.000 1.050 956 I CA -0.328 60.983 61.300 0.018 0.000 1.245 956 I CB 1.376 39.389 38.000 0.021 0.000 1.405 956 I HN 0.678 nan 8.210 nan 0.000 0.478 957 T N 2.507 117.074 114.554 0.021 0.000 2.946 957 T HA 0.067 4.417 4.350 0.001 0.000 0.312 957 T C 0.082 174.802 174.700 0.034 0.000 1.066 957 T CA -0.505 61.611 62.100 0.026 0.000 1.138 957 T CB 0.441 69.324 68.868 0.025 0.000 1.014 957 T HN 0.477 nan 8.240 nan 0.000 0.544 958 E N 3.434 123.658 120.200 0.040 0.000 2.229 958 E HA 0.296 4.647 4.350 0.001 0.000 0.283 958 E C -2.220 174.415 176.600 0.058 0.000 1.030 958 E CA -1.897 54.533 56.400 0.050 0.000 0.836 958 E CB 0.436 30.170 29.700 0.056 0.000 1.068 958 E HN 0.541 nan 8.360 nan 0.000 0.401 959 P HA 0.084 nan 4.420 nan 0.000 0.271 959 P C -0.542 176.812 177.300 0.090 0.000 1.226 959 P CA 0.162 63.305 63.100 0.072 0.000 0.765 959 P CB 0.720 32.462 31.700 0.071 0.000 0.835 960 R N 1.494 122.050 120.500 0.093 0.000 2.843 960 R HA 0.854 5.195 4.340 0.001 0.000 0.232 960 R C -0.532 175.846 176.300 0.130 0.000 1.305 960 R CA -1.061 55.111 56.100 0.119 0.000 1.096 960 R CB 1.346 31.707 30.300 0.102 0.000 1.455 960 R HN 0.476 nan 8.270 nan 0.000 0.520 961 A N 1.622 124.541 122.820 0.165 0.000 2.355 961 A HA 0.383 4.704 4.320 0.001 0.000 0.317 961 A C -1.214 176.485 177.584 0.192 0.000 1.094 961 A CA -0.887 51.254 52.037 0.173 0.000 0.764 961 A CB 0.975 20.091 19.000 0.194 0.000 1.230 961 A HN 0.776 nan 8.150 nan 0.000 0.448 962 N N 2.378 121.186 118.700 0.181 0.000 2.342 962 N HA 0.420 5.160 4.740 0.001 0.000 0.293 962 N C -1.565 174.098 175.510 0.255 0.000 1.026 962 N CA -0.553 52.633 53.050 0.225 0.000 0.857 962 N CB 1.357 39.950 38.487 0.178 0.000 1.256 962 N HN 0.451 nan 8.380 nan 0.000 0.484 963 L N 2.148 123.591 121.223 0.367 0.000 2.282 963 L HA 0.294 4.634 4.340 0.001 0.000 0.287 963 L C 0.401 177.458 176.870 0.310 0.000 1.075 963 L CA -0.588 54.405 54.840 0.254 0.000 0.839 963 L CB 0.305 42.462 42.059 0.164 0.000 1.219 963 L HN 0.348 nan 8.230 nan 0.000 0.434 964 K N 2.898 123.429 120.400 0.219 0.000 2.298 964 K HA 0.125 4.446 4.320 0.001 0.000 0.280 964 K C -0.693 175.977 176.600 0.116 0.000 1.032 964 K CA -0.319 56.130 56.287 0.269 0.000 0.958 964 K CB 0.796 33.383 32.500 0.145 0.000 0.978 964 K HN 0.306 nan 8.250 nan 0.000 0.472 965 Y N 4.496 124.849 120.300 0.087 0.000 2.751 965 Y HA 0.193 4.744 4.550 0.001 0.000 0.333 965 Y C -2.230 173.612 175.900 -0.097 0.000 1.122 965 Y CA -2.484 55.550 58.100 -0.110 0.000 1.367 965 Y CB 0.560 38.941 38.460 -0.132 0.000 1.242 965 Y HN 0.440 nan 8.280 nan 0.000 0.505 966 P HA 0.107 nan 4.420 nan 0.000 0.287 966 P C -0.754 176.664 177.300 0.196 0.000 1.281 966 P CA -0.060 63.055 63.100 0.025 0.000 0.781 966 P CB 0.528 32.234 31.700 0.010 0.000 0.903 967 F N 3.897 123.897 119.950 0.084 0.000 2.399 967 F HA 0.318 4.845 4.527 0.001 0.000 0.313 967 F C -1.422 174.324 175.800 -0.090 0.000 1.202 967 F CA -2.618 55.389 58.000 0.012 0.000 1.192 967 F CB -1.264 37.735 39.000 -0.001 0.000 1.256 967 F HN 0.227 nan 8.300 nan 0.000 0.558 968 P HA -0.007 nan 4.420 nan 0.000 0.268 968 P C -0.806 176.516 177.300 0.035 0.000 1.208 968 P CA -0.022 62.998 63.100 -0.133 0.000 0.777 968 P CB 0.246 31.709 31.700 -0.396 0.000 0.875 969 E N 1.279 121.523 120.200 0.074 0.000 2.415 969 E HA 0.052 4.402 4.350 0.001 0.000 0.260 969 E C -0.262 176.438 176.600 0.167 0.000 1.016 969 E CA -0.110 56.361 56.400 0.119 0.000 0.924 969 E CB -0.049 29.731 29.700 0.133 0.000 0.961 969 E HN 0.324 nan 8.360 nan 0.000 0.459 970 L N 6.313 127.632 121.223 0.160 0.000 2.360 970 L HA 0.246 4.587 4.340 0.001 0.000 0.276 970 L C -1.888 175.129 176.870 0.245 0.000 1.121 970 L CA -2.000 52.962 54.840 0.204 0.000 0.845 970 L CB -0.300 41.822 42.059 0.104 0.000 1.143 970 L HN 0.296 nan 8.230 nan 0.000 0.452 971 P HA 0.002 nan 4.420 nan 0.000 0.269 971 P C -0.816 176.597 177.300 0.189 0.000 1.217 971 P CA -0.365 62.875 63.100 0.233 0.000 0.783 971 P CB 0.426 32.270 31.700 0.239 0.000 0.898 972 D N 0.492 120.963 120.400 0.118 0.000 2.348 972 D HA -0.034 4.607 4.640 0.001 0.000 0.253 972 D C 0.984 177.315 176.300 0.052 0.000 1.161 972 D CA -0.312 53.756 54.000 0.114 0.000 0.876 972 D CB 0.244 41.091 40.800 0.079 0.000 1.160 972 D HN 0.423 nan 8.370 nan 0.000 0.459 973 W N 4.541 125.791 121.300 -0.083 0.000 2.317 973 W HA -0.238 4.422 4.660 0.001 0.000 0.318 973 W C 0.635 177.084 176.519 -0.117 0.000 1.227 973 W CA 1.424 58.653 57.345 -0.194 0.000 1.269 973 W CB 0.111 29.505 29.460 -0.109 0.000 1.155 973 W HN 0.499 nan 8.180 nan 0.000 0.484 974 D N 0.210 120.557 120.400 -0.089 0.000 2.075 974 D HA -0.176 4.465 4.640 0.001 0.000 0.196 974 D C 2.057 178.229 176.300 -0.213 0.000 0.985 974 D CA 1.497 55.387 54.000 -0.184 0.000 0.834 974 D CB -0.520 40.286 40.800 0.010 0.000 0.987 974 D HN 0.231 nan 8.370 nan 0.000 0.452 975 K N 0.277 120.611 120.400 -0.110 0.000 2.097 975 K HA -0.111 4.210 4.320 0.001 0.000 0.206 975 K C 1.410 177.926 176.600 -0.140 0.000 1.049 975 K CA 1.056 57.283 56.287 -0.099 0.000 0.933 975 K CB 0.174 32.652 32.500 -0.038 0.000 0.717 975 K HN 0.154 nan 8.250 nan 0.000 0.442 976 D N -0.453 119.848 120.400 -0.164 0.000 2.525 976 D HA 0.108 4.748 4.640 0.001 0.000 0.248 976 D C 1.955 178.092 176.300 -0.272 0.000 1.000 976 D CA 0.587 54.487 54.000 -0.166 0.000 0.923 976 D CB 0.402 41.154 40.800 -0.079 0.000 1.101 976 D HN 0.089 nan 8.370 nan 0.000 0.493 977 I N 0.702 121.031 120.570 -0.401 0.000 2.729 977 I HA -0.030 4.140 4.170 0.001 0.000 0.256 977 I C 2.405 178.061 176.117 -0.768 0.000 1.115 977 I CA 0.148 61.125 61.300 -0.537 0.000 1.446 977 I CB -0.084 37.577 38.000 -0.564 0.000 1.176 977 I HN -0.174 nan 8.210 nan 0.000 0.446 978 K N 1.872 121.590 120.400 -1.136 0.000 2.071 978 K HA -0.221 4.100 4.320 0.001 0.000 0.217 978 K C -0.727 175.578 176.600 -0.492 0.000 1.054 978 K CA 2.408 58.107 56.287 -0.980 0.000 0.937 978 K CB -1.052 30.970 32.500 -0.797 0.000 0.719 978 K HN 0.146 nan 8.250 nan 0.000 0.454 979 P HA -0.131 nan 4.420 nan 0.000 0.224 979 P C 0.341 177.510 177.300 -0.218 0.000 1.142 979 P CA 1.215 64.168 63.100 -0.246 0.000 0.778 979 P CB 0.079 31.649 31.700 -0.216 0.000 0.764 980 L N -3.165 117.900 121.223 -0.264 0.000 2.749 980 L HA 0.264 4.605 4.340 0.001 0.000 0.242 980 L C 1.920 178.703 176.870 -0.145 0.000 1.103 980 L CA 0.203 54.921 54.840 -0.204 0.000 0.906 980 L CB -1.203 40.684 42.059 -0.286 0.000 1.228 980 L HN -0.205 nan 8.230 nan 0.000 0.517 981 N N 1.284 119.874 118.700 -0.183 0.000 2.182 981 N HA -0.260 4.481 4.740 0.001 0.000 0.192 981 N C 1.346 176.847 175.510 -0.014 0.000 1.007 981 N CA 1.830 54.836 53.050 -0.074 0.000 0.873 981 N CB -0.038 38.400 38.487 -0.081 0.000 0.998 981 N HN 0.315 nan 8.380 nan 0.000 0.436 982 D N 0.200 120.575 120.400 -0.041 0.000 2.092 982 D HA -0.159 4.482 4.640 0.001 0.000 0.193 982 D C 1.867 178.161 176.300 -0.011 0.000 0.994 982 D CA 1.240 55.228 54.000 -0.019 0.000 0.828 982 D CB -0.273 40.507 40.800 -0.033 0.000 0.963 982 D HN 0.559 nan 8.370 nan 0.000 0.450 983 Q N -0.472 119.318 119.800 -0.017 0.000 2.187 983 Q HA 0.059 4.399 4.340 0.001 0.000 0.199 983 Q C 1.928 177.929 176.000 0.002 0.000 0.957 983 Q CA 0.472 56.270 55.803 -0.008 0.000 0.857 983 Q CB 0.208 28.944 28.738 -0.003 0.000 0.929 983 Q HN 0.206 nan 8.270 nan 0.000 0.453 984 L N 0.077 121.310 121.223 0.016 0.000 2.607 984 L HA 0.136 4.476 4.340 0.001 0.000 0.228 984 L C 0.729 177.629 176.870 0.050 0.000 1.123 984 L CA -0.038 54.825 54.840 0.039 0.000 0.890 984 L CB 0.248 42.356 42.059 0.083 0.000 1.103 984 L HN -0.023 nan 8.230 nan 0.000 0.468 985 R N 0.623 121.153 120.500 0.049 0.000 2.449 985 R HA 0.213 4.553 4.340 0.001 0.000 0.296 985 R C 1.109 177.435 176.300 0.043 0.000 1.047 985 R CA 0.754 56.897 56.100 0.071 0.000 1.018 985 R CB 0.325 30.670 30.300 0.075 0.000 0.962 985 R HN 0.274 nan 8.270 nan 0.000 0.428 986 G N 4.624 113.456 108.800 0.053 0.000 2.337 986 G HA2 -0.261 3.700 3.960 0.001 0.000 0.290 986 G HA3 -0.261 3.700 3.960 0.001 0.000 0.290 986 G C 0.582 175.485 174.900 0.005 0.000 1.003 986 G CA 0.457 45.576 45.100 0.032 0.000 0.825 986 G HN 0.531 nan 8.290 nan 0.000 0.509 987 M N -0.625 118.967 119.600 -0.013 0.000 2.505 987 M HA 0.359 4.839 4.480 0.001 0.000 0.230 987 M C 0.427 176.682 176.300 -0.074 0.000 1.153 987 M CA 0.264 55.541 55.300 -0.038 0.000 0.997 987 M CB 0.240 32.813 32.600 -0.045 0.000 1.606 987 M HN 0.069 nan 8.290 nan 0.000 0.481 988 V N 1.025 120.890 119.914 -0.081 0.000 2.752 988 V HA 0.237 4.357 4.120 0.001 0.000 0.302 988 V C -0.687 175.381 176.094 -0.043 0.000 1.133 988 V CA -1.306 60.916 62.300 -0.131 0.000 0.919 988 V CB 2.628 34.236 31.823 -0.358 0.000 1.026 988 V HN 0.246 nan 8.190 nan 0.000 0.429 989 N N 5.187 123.872 118.700 -0.026 0.000 2.406 989 N HA 0.187 4.927 4.740 0.001 0.000 0.265 989 N C 0.913 176.436 175.510 0.022 0.000 1.203 989 N CA 0.035 53.084 53.050 -0.002 0.000 0.945 989 N CB 0.703 39.181 38.487 -0.015 0.000 1.165 989 N HN 0.690 nan 8.380 nan 0.000 0.485 990 L N 1.638 122.886 121.223 0.041 0.000 2.549 990 L HA -0.072 4.269 4.340 0.001 0.000 0.229 990 L C 0.988 177.890 176.870 0.053 0.000 1.158 990 L CA 0.830 55.711 54.840 0.068 0.000 0.842 990 L CB -0.220 41.882 42.059 0.072 0.000 0.952 990 L HN 0.552 nan 8.230 nan 0.000 0.452 991 D N -0.098 120.319 120.400 0.029 0.000 2.349 991 D HA -0.045 4.595 4.640 0.001 0.000 0.214 991 D C 1.229 177.525 176.300 -0.007 0.000 1.063 991 D CA 0.519 54.528 54.000 0.014 0.000 0.847 991 D CB 0.376 41.179 40.800 0.005 0.000 0.933 991 D HN 0.016 nan 8.370 nan 0.000 0.513 992 K N 0.040 120.437 120.400 -0.004 0.000 2.676 992 K HA 0.234 4.555 4.320 0.001 0.000 0.205 992 K C -1.083 175.533 176.600 0.026 0.000 1.084 992 K CA -0.193 56.076 56.287 -0.031 0.000 1.057 992 K CB 2.154 34.615 32.500 -0.064 0.000 0.791 992 K HN -0.052 nan 8.250 nan 0.000 0.484 993 V N 1.861 121.827 119.914 0.087 0.000 2.417 993 V HA 0.274 4.395 4.120 0.001 0.000 0.291 993 V C -0.211 175.976 176.094 0.155 0.000 1.024 993 V CA -0.832 61.587 62.300 0.198 0.000 0.861 993 V CB 1.959 33.961 31.823 0.299 0.000 0.985 993 V HN -0.108 nan 8.190 nan 0.000 0.436 994 V N 6.128 126.163 119.914 0.202 0.000 2.439 994 V HA 0.577 4.697 4.120 0.001 0.000 0.282 994 V C -0.138 176.041 176.094 0.142 0.000 1.039 994 V CA -0.441 61.963 62.300 0.174 0.000 0.913 994 V CB 1.756 33.751 31.823 0.286 0.000 0.983 994 V HN 0.556 nan 8.190 nan 0.000 0.460 995 V N 4.801 124.772 119.914 0.095 0.000 2.760 995 V HA 0.410 4.530 4.120 0.001 0.000 0.309 995 V C -0.480 175.658 176.094 0.073 0.000 1.077 995 V CA -0.599 61.733 62.300 0.054 0.000 0.910 995 V CB 2.720 34.558 31.823 0.024 0.000 1.008 995 V HN 0.633 nan 8.190 nan 0.000 0.424 996 V N 3.917 123.876 119.914 0.076 0.000 2.389 996 V HA 0.245 4.365 4.120 0.001 0.000 0.264 996 V C 1.106 177.307 176.094 0.178 0.000 1.049 996 V CA 0.501 62.864 62.300 0.106 0.000 0.932 996 V CB 0.823 32.703 31.823 0.095 0.000 1.011 996 V HN 1.041 nan 8.190 nan 0.000 0.475 997 T N 3.149 117.804 114.554 0.168 0.000 3.015 997 T HA 0.300 4.650 4.350 0.001 0.000 0.250 997 T C 0.726 175.579 174.700 0.255 0.000 1.057 997 T CA 0.701 62.935 62.100 0.223 0.000 1.066 997 T CB 0.047 68.991 68.868 0.127 0.000 0.959 997 T HN 0.799 nan 8.240 nan 0.000 0.488 998 G N 1.000 109.870 108.800 0.117 0.000 2.482 998 G HA2 0.669 4.629 3.960 0.001 0.000 0.317 998 G HA3 0.669 4.629 3.960 0.001 0.000 0.317 998 G C -1.945 172.886 174.900 -0.115 0.000 1.241 998 G CA -0.459 44.666 45.100 0.041 0.000 0.967 998 G HN 0.335 nan 8.290 nan 0.000 0.482 999 L N 0.682 121.806 121.223 -0.165 0.000 2.526 999 L HA 0.746 5.086 4.340 0.001 0.000 0.263 999 L C -0.691 176.131 176.870 -0.080 0.000 0.943 999 L CA -0.544 54.161 54.840 -0.224 0.000 0.859 999 L CB 1.829 43.552 42.059 -0.559 0.000 1.313 999 L HN 0.996 nan 8.230 nan 0.000 0.406 1000 A N 3.874 126.684 122.820 -0.016 0.000 2.567 1000 A HA 0.740 5.061 4.320 0.001 0.000 0.291 1000 A C -1.780 175.838 177.584 0.057 0.000 1.048 1000 A CA -0.499 51.558 52.037 0.033 0.000 0.661 1000 A CB 2.052 21.106 19.000 0.091 0.000 1.288 1000 A HN 0.734 nan 8.150 nan 0.000 0.424 1001 E N -0.371 119.852 120.200 0.038 0.000 2.416 1001 E HA 0.686 5.037 4.350 0.001 0.000 0.280 1001 E C -1.852 174.732 176.600 -0.027 0.000 1.055 1001 E CA -0.847 55.575 56.400 0.037 0.000 0.825 1001 E CB 1.382 31.013 29.700 -0.116 0.000 1.312 1001 E HN 0.459 nan 8.360 nan 0.000 0.452 1002 I N 0.907 121.457 120.570 -0.035 0.000 2.478 1002 I HA 0.690 4.861 4.170 0.001 0.000 0.287 1002 I C 0.080 176.062 176.117 -0.225 0.000 1.042 1002 I CA 0.039 61.204 61.300 -0.226 0.000 1.067 1002 I CB 1.917 39.663 38.000 -0.423 0.000 1.233 1002 I HN 0.776 nan 8.210 nan 0.000 0.431 1003 G N 5.003 113.588 108.800 -0.358 0.000 2.827 1003 G HA2 0.526 4.486 3.960 0.001 0.000 0.296 1003 G HA3 0.526 4.486 3.960 0.001 0.000 0.296 1003 G C -2.632 172.099 174.900 -0.282 0.000 1.362 1003 G CA -0.995 43.901 45.100 -0.340 0.000 0.809 1003 G HN 0.254 nan 8.290 nan 0.000 0.522 1004 P HA -0.018 nan 4.420 nan 0.000 0.223 1004 P C 0.489 177.490 177.300 -0.498 0.000 1.144 1004 P CA 1.133 64.043 63.100 -0.317 0.000 0.783 1004 P CB 0.166 31.691 31.700 -0.292 0.000 0.771 1005 W N -1.023 120.199 121.300 -0.131 0.000 3.008 1005 W HA 0.409 5.070 4.660 0.001 0.000 0.355 1005 W C 1.072 177.599 176.519 0.013 0.000 1.095 1005 W CA 0.596 57.923 57.345 -0.030 0.000 1.738 1005 W CB 0.758 30.171 29.460 -0.079 0.000 1.091 1005 W HN -0.016 nan 8.180 nan 0.000 0.574 1006 G N 1.157 110.005 108.800 0.081 0.000 2.384 1006 G HA2 -0.232 3.728 3.960 0.001 0.000 0.204 1006 G HA3 -0.232 3.728 3.960 0.001 0.000 0.204 1006 G C -0.458 174.449 174.900 0.011 0.000 1.237 1006 G CA -0.607 44.541 45.100 0.081 0.000 1.060 1006 G HN 0.138 nan 8.290 nan 0.000 0.514 1007 N N 0.485 119.248 118.700 0.104 0.000 2.317 1007 N HA 0.576 5.316 4.740 0.001 0.000 0.245 1007 N C 1.653 177.179 175.510 0.027 0.000 1.294 1007 N CA 0.900 53.995 53.050 0.074 0.000 0.924 1007 N CB 0.358 38.954 38.487 0.183 0.000 1.186 1007 N HN 1.636 nan 8.380 nan 0.000 0.495 1008 A N -0.162 122.655 122.820 -0.005 0.000 2.024 1008 A HA -0.205 4.115 4.320 0.001 0.000 0.220 1008 A C 2.101 179.706 177.584 0.035 0.000 1.164 1008 A CA 1.234 53.253 52.037 -0.031 0.000 0.643 1008 A CB -0.619 18.342 19.000 -0.065 0.000 0.806 1008 A HN 0.699 nan 8.150 nan 0.000 0.451 1009 R N -0.610 119.921 120.500 0.050 0.000 2.061 1009 R HA -0.098 4.243 4.340 0.001 0.000 0.230 1009 R C 2.551 178.941 176.300 0.150 0.000 1.140 1009 R CA 1.989 58.134 56.100 0.075 0.000 0.940 1009 R CB -1.156 29.160 30.300 0.026 0.000 0.839 1009 R HN 0.710 nan 8.270 nan 0.000 0.429 1010 T N -0.188 114.476 114.554 0.183 0.000 2.788 1010 T HA -0.142 4.208 4.350 0.001 0.000 0.268 1010 T C 2.029 176.899 174.700 0.283 0.000 1.044 1010 T CA 0.841 63.139 62.100 0.331 0.000 1.139 1010 T CB -0.202 68.870 68.868 0.338 0.000 0.867 1010 T HN 0.062 nan 8.240 nan 0.000 0.454 1011 R N 0.012 120.607 120.500 0.160 0.000 2.081 1011 R HA -0.086 4.254 4.340 0.001 0.000 0.235 1011 R C 2.226 178.494 176.300 -0.053 0.000 1.131 1011 R CA 1.546 57.665 56.100 0.032 0.000 0.960 1011 R CB -0.897 29.377 30.300 -0.044 0.000 0.856 1011 R HN 0.769 nan 8.270 nan 0.000 0.436 1012 W N 1.889 123.101 121.300 -0.147 0.000 2.378 1012 W HA -0.178 4.482 4.660 0.001 0.000 0.313 1012 W C 1.515 177.894 176.519 -0.232 0.000 1.197 1012 W CA 1.273 58.517 57.345 -0.169 0.000 1.304 1012 W CB -0.207 29.172 29.460 -0.135 0.000 1.148 1012 W HN 0.169 nan 8.180 nan 0.000 0.494 1013 E N 0.330 120.364 120.200 -0.276 0.000 2.108 1013 E HA -0.353 3.997 4.350 0.001 0.000 0.203 1013 E C 1.970 178.202 176.600 -0.613 0.000 1.022 1013 E CA 2.350 58.444 56.400 -0.510 0.000 0.823 1013 E CB -0.602 28.972 29.700 -0.210 0.000 0.744 1013 E HN 0.240 nan 8.360 nan 0.000 0.456 1014 M N 0.893 120.105 119.600 -0.647 0.000 2.099 1014 M HA -0.158 4.323 4.480 0.001 0.000 0.262 1014 M C 2.030 177.953 176.300 -0.629 0.000 1.067 1014 M CA 1.677 56.482 55.300 -0.825 0.000 1.124 1014 M CB -0.119 31.752 32.600 -1.214 0.000 1.353 1014 M HN 0.005 nan 8.290 nan 0.000 0.410 1015 E N -0.969 118.888 120.200 -0.571 0.000 2.204 1015 E HA -0.154 4.197 4.350 0.001 0.000 0.195 1015 E C 1.485 177.813 176.600 -0.454 0.000 0.990 1015 E CA 1.252 57.391 56.400 -0.435 0.000 0.821 1015 E CB 0.030 29.535 29.700 -0.325 0.000 0.750 1015 E HN 0.579 nan 8.360 nan 0.000 0.477 1016 A N -0.394 122.006 122.820 -0.700 0.000 1.944 1016 A HA 0.049 4.370 4.320 0.001 0.000 0.209 1016 A C 1.461 178.958 177.584 -0.145 0.000 1.328 1016 A CA 0.252 51.924 52.037 -0.607 0.000 0.693 1016 A CB -0.313 17.969 19.000 -1.198 0.000 0.994 1016 A HN 0.286 nan 8.150 nan 0.000 0.485 1017 Y N -0.638 119.379 120.300 -0.472 0.000 2.476 1017 Y HA 0.333 4.884 4.550 0.001 0.000 0.283 1017 Y C 2.059 177.784 175.900 -0.291 0.000 1.109 1017 Y CA 0.051 57.963 58.100 -0.314 0.000 1.246 1017 Y CB -0.429 37.881 38.460 -0.250 0.000 1.068 1017 Y HN 0.507 nan 8.280 nan 0.000 0.552 1018 G N 0.444 109.122 108.800 -0.204 0.000 2.175 1018 G HA2 -0.244 3.716 3.960 0.001 0.000 0.244 1018 G HA3 -0.244 3.716 3.960 0.001 0.000 0.244 1018 G C 0.240 174.968 174.900 -0.286 0.000 0.982 1018 G CA 0.438 45.387 45.100 -0.252 0.000 0.641 1018 G HN 0.473 nan 8.290 nan 0.000 0.527 1019 K N -1.141 119.076 120.400 -0.305 0.000 2.615 1019 K HA 0.670 4.990 4.320 0.001 0.000 0.291 1019 K C -1.165 175.234 176.600 -0.335 0.000 1.017 1019 K CA -1.281 54.819 56.287 -0.312 0.000 0.882 1019 K CB 0.741 33.181 32.500 -0.100 0.000 1.522 1019 K HN 0.054 nan 8.250 nan 0.000 0.412 1020 F N 1.664 121.605 119.950 -0.014 0.000 2.375 1020 F HA 0.245 4.773 4.527 0.001 0.000 0.333 1020 F C 1.146 176.960 175.800 0.023 0.000 1.104 1020 F CA -0.185 57.814 58.000 -0.002 0.000 1.149 1020 F CB 1.790 40.816 39.000 0.043 0.000 1.190 1020 F HN 0.670 nan 8.300 nan 0.000 0.533 1021 S N 3.063 118.906 115.700 0.237 0.000 2.669 1021 S HA 0.191 4.662 4.470 0.001 0.000 0.270 1021 S C 0.956 175.657 174.600 0.169 0.000 1.225 1021 S CA -0.928 57.373 58.200 0.167 0.000 0.991 1021 S CB 1.075 64.350 63.200 0.124 0.000 0.987 1021 S HN 0.703 nan 8.310 nan 0.000 0.552 1022 L N 0.580 121.885 121.223 0.137 0.000 2.081 1022 L HA -0.113 4.228 4.340 0.001 0.000 0.212 1022 L C 2.224 179.164 176.870 0.117 0.000 1.080 1022 L CA 2.117 57.031 54.840 0.124 0.000 0.754 1022 L CB -1.576 40.556 42.059 0.121 0.000 0.893 1022 L HN 0.800 nan 8.230 nan 0.000 0.433 1023 E N -0.423 119.851 120.200 0.122 0.000 2.051 1023 E HA -0.128 4.223 4.350 0.001 0.000 0.192 1023 E C 2.086 178.741 176.600 0.092 0.000 0.991 1023 E CA 1.227 57.697 56.400 0.117 0.000 0.799 1023 E CB -0.697 29.070 29.700 0.111 0.000 0.748 1023 E HN 0.552 nan 8.360 nan 0.000 0.449 1024 G N 0.171 109.037 108.800 0.111 0.000 2.459 1024 G HA2 -0.318 3.642 3.960 0.001 0.000 0.217 1024 G HA3 -0.318 3.642 3.960 0.001 0.000 0.217 1024 G C 1.821 176.649 174.900 -0.121 0.000 1.183 1024 G CA 1.117 46.272 45.100 0.091 0.000 0.776 1024 G HN 0.364 nan 8.290 nan 0.000 0.552 1025 C N -0.198 119.062 119.300 -0.068 0.000 2.398 1025 C HA -0.072 4.389 4.460 0.001 0.000 0.276 1025 C C 3.116 178.033 174.990 -0.122 0.000 1.222 1025 C CA 0.933 59.877 59.018 -0.124 0.000 1.746 1025 C CB -1.051 26.708 27.740 0.032 0.000 2.039 1025 C HN 0.289 nan 8.230 nan 0.000 0.470 1026 V N 0.578 120.457 119.914 -0.058 0.000 2.343 1026 V HA -0.233 3.888 4.120 0.001 0.000 0.247 1026 V C 2.428 178.457 176.094 -0.109 0.000 1.051 1026 V CA 1.990 64.218 62.300 -0.120 0.000 1.036 1026 V CB -0.715 31.110 31.823 0.004 0.000 0.654 1026 V HN 0.609 nan 8.190 nan 0.000 0.451 1027 E N -0.619 119.566 120.200 -0.024 0.000 2.038 1027 E HA -0.234 4.116 4.350 0.001 0.000 0.195 1027 E C 2.352 178.995 176.600 0.072 0.000 1.000 1027 E CA 1.514 57.941 56.400 0.046 0.000 0.803 1027 E CB -0.217 29.530 29.700 0.080 0.000 0.750 1027 E HN 0.394 nan 8.360 nan 0.000 0.448 1028 M N 0.436 119.986 119.600 -0.083 0.000 2.082 1028 M HA -0.179 4.302 4.480 0.001 0.000 0.258 1028 M C 2.555 178.786 176.300 -0.116 0.000 1.071 1028 M CA 1.537 56.767 55.300 -0.116 0.000 1.103 1028 M CB -1.389 31.004 32.600 -0.345 0.000 1.307 1028 M HN 0.101 nan 8.290 nan 0.000 0.409 1029 A N -1.057 121.639 122.820 -0.206 0.000 1.986 1029 A HA -0.242 4.079 4.320 0.001 0.000 0.220 1029 A C 2.055 179.424 177.584 -0.359 0.000 1.171 1029 A CA 1.865 53.686 52.037 -0.359 0.000 0.640 1029 A CB -1.279 17.435 19.000 -0.476 0.000 0.811 1029 A HN 0.743 nan 8.150 nan 0.000 0.451 1030 W N 0.957 121.996 121.300 -0.434 0.000 2.408 1030 W HA -0.170 4.491 4.660 0.001 0.000 0.311 1030 W C 2.334 178.666 176.519 -0.311 0.000 1.190 1030 W CA 2.007 59.102 57.345 -0.415 0.000 1.321 1030 W CB -0.257 28.995 29.460 -0.346 0.000 1.143 1030 W HN 0.418 nan 8.180 nan 0.000 0.501 1031 M N -0.690 118.853 119.600 -0.094 0.000 2.319 1031 M HA 0.014 4.494 4.480 0.001 0.000 0.265 1031 M C 1.730 177.859 176.300 -0.285 0.000 1.068 1031 M CA 1.641 56.744 55.300 -0.328 0.000 1.118 1031 M CB -0.687 32.091 32.600 0.298 0.000 1.395 1031 M HN 0.039 nan 8.290 nan 0.000 0.435 1032 M N 0.855 120.342 119.600 -0.188 0.000 2.558 1032 M HA 0.172 4.653 4.480 0.001 0.000 0.255 1032 M C 0.947 177.078 176.300 -0.281 0.000 1.113 1032 M CA 1.063 56.273 55.300 -0.150 0.000 1.097 1032 M CB 0.166 32.713 32.600 -0.089 0.000 1.426 1032 M HN 0.749 nan 8.290 nan 0.000 0.488 1033 G N 0.612 109.162 108.800 -0.417 0.000 2.142 1033 G HA2 -0.225 3.735 3.960 0.001 0.000 0.225 1033 G HA3 -0.225 3.735 3.960 0.001 0.000 0.225 1033 G C 0.449 175.105 174.900 -0.407 0.000 1.015 1033 G CA -0.067 44.771 45.100 -0.436 0.000 0.716 1033 G HN 0.464 nan 8.290 nan 0.000 0.508 1034 L N -0.381 120.546 121.223 -0.495 0.000 2.375 1034 L HA 0.417 4.758 4.340 0.001 0.000 0.215 1034 L C 1.539 178.059 176.870 -0.582 0.000 1.108 1034 L CA 0.885 55.361 54.840 -0.607 0.000 0.830 1034 L CB -0.205 41.291 42.059 -0.938 0.000 0.959 1034 L HN 0.606 nan 8.230 nan 0.000 0.457 1035 I N -1.583 118.673 120.570 -0.523 0.000 2.802 1035 I HA 0.542 4.712 4.170 0.001 0.000 0.298 1035 I C -1.227 174.763 176.117 -0.211 0.000 1.176 1035 I CA -0.832 60.249 61.300 -0.365 0.000 1.025 1035 I CB 2.390 40.059 38.000 -0.551 0.000 1.243 1035 I HN -0.042 nan 8.210 nan 0.000 0.424 1036 K N 2.796 123.238 120.400 0.071 0.000 2.508 1036 K HA 0.417 4.738 4.320 0.001 0.000 0.260 1036 K C -1.456 175.445 176.600 0.502 0.000 0.949 1036 K CA -0.831 55.609 56.287 0.256 0.000 0.834 1036 K CB 2.034 34.575 32.500 0.069 0.000 1.365 1036 K HN 0.679 nan 8.250 nan 0.000 0.437 1037 N N 1.644 120.642 118.700 0.497 0.000 2.518 1037 N HA -0.007 4.734 4.740 0.001 0.000 0.266 1037 N C -1.163 174.481 175.510 0.224 0.000 1.196 1037 N CA 0.193 53.393 53.050 0.250 0.000 0.947 1037 N CB 0.556 39.045 38.487 0.003 0.000 1.098 1037 N HN 0.649 nan 8.380 nan 0.000 0.450 1038 H N 2.581 121.699 119.070 0.079 0.000 2.806 1038 H HA 0.229 4.785 4.556 0.001 0.000 0.367 1038 H C -1.302 174.026 175.328 -0.001 0.000 1.136 1038 H CA -0.491 55.609 56.048 0.086 0.000 1.178 1038 H CB 1.146 31.031 29.762 0.206 0.000 1.718 1038 H HN 0.729 nan 8.280 nan 0.000 0.540 1039 N N 3.347 121.732 118.700 -0.524 0.000 2.711 1039 N HA 0.314 5.055 4.740 0.001 0.000 0.263 1039 N C -1.089 174.207 175.510 -0.358 0.000 1.667 1039 N CA -0.190 52.661 53.050 -0.332 0.000 0.785 1039 N CB 0.672 39.029 38.487 -0.217 0.000 1.231 1039 N HN 0.791 nan 8.380 nan 0.000 0.503 1040 G N 0.968 109.558 108.800 -0.350 0.000 2.561 1040 G HA2 0.362 4.323 3.960 0.001 0.000 0.310 1040 G HA3 0.362 4.323 3.960 0.001 0.000 0.310 1040 G C -3.276 171.748 174.900 0.208 0.000 1.292 1040 G CA -0.653 44.386 45.100 -0.101 0.000 0.811 1040 G HN -0.021 nan 8.290 nan 0.000 0.482 1041 P HA 0.357 nan 4.420 nan 0.000 0.271 1041 P C -0.501 176.938 177.300 0.232 0.000 1.226 1041 P CA -0.040 63.171 63.100 0.184 0.000 0.765 1041 P CB 0.753 32.514 31.700 0.102 0.000 0.835 1042 L N 5.282 126.603 121.223 0.163 0.000 2.295 1042 L HA 0.262 4.602 4.340 0.001 0.000 0.281 1042 L C 0.313 177.177 176.870 -0.011 0.000 1.018 1042 L CA -0.645 54.202 54.840 0.012 0.000 0.841 1042 L CB 0.641 42.632 42.059 -0.113 0.000 1.218 1042 L HN 0.473 nan 8.230 nan 0.000 0.424 1043 K N 3.200 123.593 120.400 -0.011 0.000 3.239 1043 K HA -0.222 4.098 4.320 0.001 0.000 0.270 1043 K C 0.905 177.510 176.600 0.008 0.000 1.049 1043 K CA 0.742 57.022 56.287 -0.011 0.000 0.769 1043 K CB -1.409 31.071 32.500 -0.032 0.000 1.305 1043 K HN 1.146 nan 8.250 nan 0.000 0.469 1044 G N -0.230 108.584 108.800 0.024 0.000 3.444 1044 G HA2 -0.403 3.557 3.960 0.001 0.000 0.222 1044 G HA3 -0.403 3.557 3.960 0.001 0.000 0.222 1044 G C 0.066 174.990 174.900 0.041 0.000 1.358 1044 G CA 0.688 45.805 45.100 0.029 0.000 0.880 1044 G HN 0.384 nan 8.290 nan 0.000 0.555 1045 K N 2.442 122.867 120.400 0.041 0.000 2.326 1045 K HA 0.470 4.790 4.320 0.001 0.000 0.275 1045 K C -2.411 174.246 176.600 0.095 0.000 1.018 1045 K CA -1.356 54.965 56.287 0.056 0.000 0.962 1045 K CB 0.889 33.418 32.500 0.048 0.000 0.953 1045 K HN 0.222 nan 8.250 nan 0.000 0.475 1046 P HA 0.090 nan 4.420 nan 0.000 0.274 1046 P C -1.450 175.988 177.300 0.231 0.000 1.246 1046 P CA -0.202 62.978 63.100 0.134 0.000 0.795 1046 P CB 0.335 32.080 31.700 0.075 0.000 1.006 1047 Y N -0.539 119.811 120.300 0.083 0.000 2.620 1047 Y HA 0.461 5.011 4.550 0.001 0.000 0.331 1047 Y C -1.651 174.312 175.900 0.105 0.000 1.173 1047 Y CA -0.446 57.710 58.100 0.094 0.000 1.076 1047 Y CB 1.291 39.818 38.460 0.112 0.000 1.336 1047 Y HN 0.509 nan 8.280 nan 0.000 0.459 1048 S N 3.505 118.661 115.700 -0.908 0.000 2.548 1048 S HA 0.978 5.448 4.470 0.001 0.000 0.276 1048 S C -0.406 173.604 174.600 -0.984 0.000 1.129 1048 S CA 0.108 57.895 58.200 -0.689 0.000 0.931 1048 S CB 1.659 64.640 63.200 -0.364 0.000 1.068 1048 S HN 2.169 nan 8.310 nan 0.000 0.480 1049 G N 1.749 110.232 108.800 -0.528 0.000 2.280 1049 G HA2 0.019 3.980 3.960 0.001 0.000 0.277 1049 G HA3 0.019 3.980 3.960 0.001 0.000 0.277 1049 G C -1.438 173.466 174.900 0.007 0.000 1.288 1049 G CA -0.802 44.059 45.100 -0.398 0.000 1.075 1049 G HN 0.838 nan 8.290 nan 0.000 0.480 1050 W N -0.063 121.350 121.300 0.189 0.000 2.216 1050 W HA 0.509 5.170 4.660 0.001 0.000 0.326 1050 W C 0.321 176.994 176.519 0.257 0.000 1.319 1050 W CA -0.623 56.841 57.345 0.200 0.000 1.213 1050 W CB 1.253 30.808 29.460 0.159 0.000 1.171 1050 W HN 0.305 nan 8.180 nan 0.000 0.557 1051 V N 3.272 123.486 119.914 0.500 0.000 2.709 1051 V HA 0.033 4.153 4.120 0.001 0.000 0.308 1051 V C -0.392 175.789 176.094 0.145 0.000 1.062 1051 V CA -0.901 61.552 62.300 0.254 0.000 0.901 1051 V CB 1.939 33.873 31.823 0.185 0.000 1.003 1051 V HN 0.364 nan 8.190 nan 0.000 0.425 1052 D N 3.142 123.600 120.400 0.097 0.000 2.472 1052 D HA 0.205 4.846 4.640 0.001 0.000 0.248 1052 D C 1.069 177.366 176.300 -0.005 0.000 1.174 1052 D CA 0.778 54.820 54.000 0.070 0.000 0.883 1052 D CB 1.803 42.662 40.800 0.098 0.000 1.149 1052 D HN 0.664 nan 8.370 nan 0.000 0.488 1053 A N 5.060 127.836 122.820 -0.074 0.000 1.940 1053 A HA -0.210 4.111 4.320 0.001 0.000 0.219 1053 A C 2.019 179.560 177.584 -0.072 0.000 1.176 1053 A CA 1.471 53.452 52.037 -0.093 0.000 0.631 1053 A CB -0.241 18.655 19.000 -0.173 0.000 0.814 1053 A HN 0.659 nan 8.150 nan 0.000 0.446 1054 K N -1.201 119.161 120.400 -0.064 0.000 1.973 1054 K HA -0.034 4.286 4.320 0.001 0.000 0.210 1054 K C 0.982 177.562 176.600 -0.033 0.000 1.045 1054 K CA 1.298 57.556 56.287 -0.048 0.000 0.937 1054 K CB -0.316 32.161 32.500 -0.038 0.000 0.721 1054 K HN 0.372 nan 8.250 nan 0.000 0.438 1055 T N -0.788 113.753 114.554 -0.022 0.000 2.845 1055 T HA 0.226 4.577 4.350 0.001 0.000 0.288 1055 T C 1.149 175.826 174.700 -0.039 0.000 0.980 1055 T CA -0.426 61.657 62.100 -0.028 0.000 1.071 1055 T CB 1.471 70.325 68.868 -0.024 0.000 0.941 1055 T HN 0.367 nan 8.240 nan 0.000 0.487 1056 G N 3.504 112.271 108.800 -0.055 0.000 2.537 1056 G HA2 -0.095 3.865 3.960 0.001 0.000 0.220 1056 G HA3 -0.095 3.865 3.960 0.001 0.000 0.220 1056 G C 0.584 175.412 174.900 -0.121 0.000 1.111 1056 G CA 0.330 45.377 45.100 -0.088 0.000 0.748 1056 G HN 0.730 nan 8.290 nan 0.000 0.564 1057 E N 0.996 121.140 120.200 -0.093 0.000 2.459 1057 E HA 0.090 4.440 4.350 0.001 0.000 0.264 1057 E C -2.201 174.331 176.600 -0.115 0.000 1.055 1057 E CA -1.356 54.977 56.400 -0.112 0.000 0.957 1057 E CB 0.214 29.872 29.700 -0.070 0.000 0.952 1057 E HN 0.152 nan 8.360 nan 0.000 0.448 1058 P HA 0.212 nan 4.420 nan 0.000 0.279 1058 P C -0.713 176.588 177.300 0.001 0.000 1.252 1058 P CA -0.427 62.557 63.100 -0.193 0.000 0.811 1058 P CB 0.844 32.175 31.700 -0.615 0.000 1.035 1059 V N 1.827 121.839 119.914 0.162 0.000 2.709 1059 V HA 0.301 4.422 4.120 0.001 0.000 0.308 1059 V C -0.437 175.821 176.094 0.272 0.000 1.062 1059 V CA -0.598 61.819 62.300 0.196 0.000 0.901 1059 V CB 2.132 34.099 31.823 0.239 0.000 1.003 1059 V HN 0.461 nan 8.190 nan 0.000 0.425 1060 D N 2.480 122.998 120.400 0.197 0.000 2.210 1060 D HA 0.237 4.877 4.640 0.001 0.000 0.249 1060 D C 0.438 176.868 176.300 0.217 0.000 1.062 1060 D CA -0.235 53.889 54.000 0.207 0.000 0.891 1060 D CB 2.058 42.941 40.800 0.137 0.000 1.186 1060 D HN 0.570 nan 8.370 nan 0.000 0.432 1061 D N 1.056 121.611 120.400 0.257 0.000 2.149 1061 D HA -0.233 4.408 4.640 0.001 0.000 0.194 1061 D C 1.949 178.346 176.300 0.162 0.000 1.001 1061 D CA 1.619 55.767 54.000 0.246 0.000 0.849 1061 D CB 0.060 41.008 40.800 0.247 0.000 0.939 1061 D HN 0.539 nan 8.370 nan 0.000 0.449 1062 K N 0.351 120.830 120.400 0.131 0.000 2.147 1062 K HA -0.146 4.175 4.320 0.001 0.000 0.205 1062 K C 0.970 177.617 176.600 0.078 0.000 1.049 1062 K CA 1.494 57.839 56.287 0.096 0.000 0.936 1062 K CB -0.003 32.545 32.500 0.080 0.000 0.722 1062 K HN 0.082 nan 8.250 nan 0.000 0.446 1063 D N 1.168 121.613 120.400 0.075 0.000 2.213 1063 D HA -0.049 4.591 4.640 0.001 0.000 0.205 1063 D C 2.133 178.442 176.300 0.016 0.000 0.961 1063 D CA 0.604 54.622 54.000 0.031 0.000 0.853 1063 D CB -0.187 40.622 40.800 0.015 0.000 0.967 1063 D HN 0.024 nan 8.370 nan 0.000 0.496 1064 V N 1.646 121.611 119.914 0.086 0.000 2.242 1064 V HA -0.376 3.745 4.120 0.001 0.000 0.257 1064 V C 2.540 178.704 176.094 0.116 0.000 1.073 1064 V CA 2.213 64.609 62.300 0.160 0.000 1.058 1064 V CB -0.461 31.453 31.823 0.153 0.000 0.664 1064 V HN 0.167 nan 8.190 nan 0.000 0.451 1065 K N -0.721 119.735 120.400 0.094 0.000 2.074 1065 K HA -0.227 4.094 4.320 0.001 0.000 0.209 1065 K C 2.142 178.773 176.600 0.053 0.000 1.048 1065 K CA 1.771 58.114 56.287 0.092 0.000 0.926 1065 K CB -0.407 32.149 32.500 0.092 0.000 0.713 1065 K HN 0.526 nan 8.250 nan 0.000 0.444 1066 A N 0.895 123.719 122.820 0.006 0.000 1.854 1066 A HA -0.146 4.174 4.320 0.001 0.000 0.214 1066 A C 1.957 179.484 177.584 -0.096 0.000 1.192 1066 A CA 1.478 53.500 52.037 -0.025 0.000 0.611 1066 A CB -0.377 18.606 19.000 -0.028 0.000 0.832 1066 A HN 0.205 nan 8.150 nan 0.000 0.442 1067 K N -1.883 118.370 120.400 -0.246 0.000 2.057 1067 K HA -0.153 4.167 4.320 0.001 0.000 0.207 1067 K C 1.370 177.672 176.600 -0.497 0.000 1.049 1067 K CA 1.878 57.850 56.287 -0.526 0.000 0.931 1067 K CB -0.194 31.678 32.500 -1.047 0.000 0.714 1067 K HN 0.687 nan 8.250 nan 0.000 0.440 1068 Y N -0.712 119.598 120.300 0.017 0.000 2.467 1068 Y HA 0.141 4.692 4.550 0.001 0.000 0.259 1068 Y C 1.897 177.855 175.900 0.096 0.000 1.084 1068 Y CA -0.357 57.755 58.100 0.020 0.000 1.275 1068 Y CB 0.021 38.442 38.460 -0.064 0.000 1.208 1068 Y HN 0.053 nan 8.280 nan 0.000 0.511 1069 E N 1.631 121.954 120.200 0.206 0.000 2.049 1069 E HA -0.312 4.039 4.350 0.001 0.000 0.198 1069 E C 2.103 178.841 176.600 0.229 0.000 1.007 1069 E CA 1.877 58.404 56.400 0.211 0.000 0.809 1069 E CB 0.061 29.866 29.700 0.175 0.000 0.749 1069 E HN 0.388 nan 8.360 nan 0.000 0.450 1070 K N -0.264 120.247 120.400 0.185 0.000 2.020 1070 K HA -0.274 4.047 4.320 0.001 0.000 0.212 1070 K C 2.168 178.886 176.600 0.197 0.000 1.050 1070 K CA 1.942 58.324 56.287 0.159 0.000 0.929 1070 K CB -0.560 32.011 32.500 0.117 0.000 0.714 1070 K HN 0.263 nan 8.250 nan 0.000 0.443 1071 Y N 1.264 121.643 120.300 0.132 0.000 2.070 1071 Y HA -0.248 4.303 4.550 0.001 0.000 0.280 1071 Y C 1.945 177.956 175.900 0.184 0.000 1.148 1071 Y CA 2.158 60.368 58.100 0.183 0.000 1.125 1071 Y CB -0.120 38.475 38.460 0.224 0.000 0.975 1071 Y HN 0.055 nan 8.280 nan 0.000 0.492 1072 I N 0.298 121.191 120.570 0.540 0.000 2.185 1072 I HA -0.397 3.774 4.170 0.001 0.000 0.246 1072 I C 2.276 178.570 176.117 0.295 0.000 1.088 1072 I CA 1.721 63.258 61.300 0.394 0.000 1.347 1072 I CB -0.721 37.415 38.000 0.227 0.000 1.041 1072 I HN 0.379 nan 8.210 nan 0.000 0.415 1073 L N 0.061 121.456 121.223 0.286 0.000 2.109 1073 L HA -0.171 4.170 4.340 0.001 0.000 0.207 1073 L C 2.595 179.520 176.870 0.092 0.000 1.086 1073 L CA 1.250 56.263 54.840 0.288 0.000 0.760 1073 L CB -0.642 41.586 42.059 0.282 0.000 0.910 1073 L HN 0.312 nan 8.230 nan 0.000 0.437 1074 E N -0.364 119.813 120.200 -0.039 0.000 2.106 1074 E HA -0.184 4.166 4.350 0.001 0.000 0.192 1074 E C 1.247 177.572 176.600 -0.458 0.000 0.984 1074 E CA 0.818 57.055 56.400 -0.272 0.000 0.806 1074 E CB 0.231 29.684 29.700 -0.412 0.000 0.750 1074 E HN 0.546 nan 8.360 nan 0.000 0.458 1075 H N -0.299 118.663 119.070 -0.180 0.000 2.507 1075 H HA 0.216 4.772 4.556 0.001 0.000 0.294 1075 H C -0.159 175.102 175.328 -0.113 0.000 1.064 1075 H CA 0.274 56.215 56.048 -0.179 0.000 1.138 1075 H CB 0.412 30.003 29.762 -0.284 0.000 1.515 1075 H HN 0.041 nan 8.280 nan 0.000 0.547 1076 S N -1.385 114.246 115.700 -0.114 0.000 2.661 1076 S HA 0.735 5.206 4.470 0.001 0.000 0.285 1076 S C 0.481 174.632 174.600 -0.747 0.000 1.138 1076 S CA -0.333 57.651 58.200 -0.360 0.000 0.855 1076 S CB 3.243 66.246 63.200 -0.329 0.000 1.136 1076 S HN 0.479 nan 8.310 nan 0.000 0.484 1077 G N 0.352 108.457 108.800 -1.159 0.000 2.587 1077 G HA2 -0.086 3.874 3.960 0.001 0.000 0.212 1077 G HA3 -0.086 3.874 3.960 0.001 0.000 0.212 1077 G C -0.777 173.858 174.900 -0.443 0.000 1.327 1077 G CA -0.511 43.859 45.100 -1.217 0.000 0.898 1077 G HN 1.081 nan 8.290 nan 0.000 0.551 1078 I N 2.452 122.917 120.570 -0.175 0.000 2.505 1078 I HA 0.392 4.563 4.170 0.001 0.000 0.287 1078 I C 1.178 177.248 176.117 -0.077 0.000 1.104 1078 I CA 0.311 61.562 61.300 -0.081 0.000 1.387 1078 I CB 0.094 38.096 38.000 0.004 0.000 1.404 1078 I HN 0.714 nan 8.210 nan 0.000 0.528 1079 R N 5.251 125.701 120.500 -0.083 0.000 2.810 1079 R HA 0.589 4.930 4.340 0.001 0.000 0.266 1079 R C -1.283 175.005 176.300 -0.020 0.000 1.061 1079 R CA -1.182 54.889 56.100 -0.049 0.000 0.943 1079 R CB 1.023 31.281 30.300 -0.071 0.000 1.237 1079 R HN 0.274 nan 8.270 nan 0.000 0.459 1080 L N 2.091 123.325 121.223 0.017 0.000 2.499 1080 L HA 0.139 4.480 4.340 0.001 0.000 0.273 1080 L C 0.484 177.379 176.870 0.042 0.000 1.195 1080 L CA -0.047 54.817 54.840 0.040 0.000 0.882 1080 L CB 0.194 42.278 42.059 0.041 0.000 1.133 1080 L HN 0.425 nan 8.230 nan 0.000 0.483 1081 I N 4.018 124.610 120.570 0.037 0.000 2.741 1081 I HA -0.083 4.088 4.170 0.001 0.000 0.288 1081 I C 0.436 176.653 176.117 0.165 0.000 1.192 1081 I CA 0.546 61.900 61.300 0.091 0.000 1.426 1081 I CB -0.014 38.026 38.000 0.066 0.000 1.367 1081 I HN 0.613 nan 8.210 nan 0.000 0.563 1082 E N 8.391 128.772 120.200 0.302 0.000 2.092 1082 E HA 0.212 4.563 4.350 0.001 0.000 0.271 1082 E C -1.895 174.939 176.600 0.390 0.000 0.919 1082 E CA -1.712 54.845 56.400 0.262 0.000 0.760 1082 E CB 1.364 31.184 29.700 0.201 0.000 1.106 1082 E HN 0.387 nan 8.360 nan 0.000 0.408 1083 P HA -0.199 nan 4.420 nan 0.000 0.216 1083 P C 0.618 178.085 177.300 0.278 0.000 1.150 1083 P CA 1.151 64.440 63.100 0.315 0.000 0.837 1083 P CB 0.333 32.128 31.700 0.158 0.000 0.786 1084 E N 0.010 120.310 120.200 0.167 0.000 2.130 1084 E HA -0.158 4.192 4.350 0.001 0.000 0.196 1084 E C 1.742 178.375 176.600 0.054 0.000 0.998 1084 E CA 0.976 57.433 56.400 0.094 0.000 0.806 1084 E CB -1.360 28.370 29.700 0.051 0.000 0.738 1084 E HN 0.274 nan 8.360 nan 0.000 0.459 1085 L N -0.580 120.655 121.223 0.020 0.000 2.622 1085 L HA 0.034 4.374 4.340 0.001 0.000 0.233 1085 L C 0.307 176.798 176.870 -0.632 0.000 1.156 1085 L CA 0.412 55.081 54.840 -0.284 0.000 0.866 1085 L CB -0.035 41.793 42.059 -0.385 0.000 0.980 1085 L HN 0.096 nan 8.230 nan 0.000 0.448 1086 F N -1.116 118.945 119.950 0.186 0.000 2.671 1086 F HA 0.328 4.855 4.527 0.001 0.000 0.384 1086 F C 1.315 177.212 175.800 0.161 0.000 1.351 1086 F CA -0.531 57.591 58.000 0.202 0.000 1.151 1086 F CB 0.364 39.551 39.000 0.313 0.000 1.147 1086 F HN -0.061 nan 8.300 nan 0.000 0.513 1087 G N 0.680 109.603 108.800 0.206 0.000 2.390 1087 G HA2 0.002 3.962 3.960 0.001 0.000 0.299 1087 G HA3 0.002 3.962 3.960 0.001 0.000 0.299 1087 G C 1.252 176.255 174.900 0.172 0.000 1.002 1087 G CA 0.672 45.861 45.100 0.149 0.000 0.979 1087 G HN 1.475 nan 8.290 nan 0.000 0.513 1088 G N -2.026 106.897 108.800 0.206 0.000 2.176 1088 G HA2 -0.131 3.829 3.960 0.001 0.000 0.232 1088 G HA3 -0.131 3.829 3.960 0.001 0.000 0.232 1088 G C 0.486 175.513 174.900 0.211 0.000 0.986 1088 G CA 0.450 45.652 45.100 0.171 0.000 0.643 1088 G HN 2.014 nan 8.290 nan 0.000 0.522 1089 Y N 2.301 122.700 120.300 0.165 0.000 2.810 1089 Y HA 0.420 4.970 4.550 0.001 0.000 0.332 1089 Y C -0.067 175.908 175.900 0.124 0.000 1.243 1089 Y CA 0.257 58.431 58.100 0.124 0.000 1.537 1089 Y CB 0.756 39.281 38.460 0.108 0.000 1.265 1089 Y HN 0.174 nan 8.280 nan 0.000 0.572 1090 D N 8.073 128.173 120.400 -0.501 0.000 2.478 1090 D HA 0.258 4.899 4.640 0.001 0.000 0.240 1090 D C -2.490 173.466 176.300 -0.574 0.000 1.364 1090 D CA -1.999 51.721 54.000 -0.465 0.000 0.987 1090 D CB 2.085 42.792 40.800 -0.155 0.000 1.328 1090 D HN 0.253 nan 8.370 nan 0.000 0.584 1091 P HA -0.026 nan 4.420 nan 0.000 0.223 1091 P C 0.871 178.181 177.300 0.017 0.000 1.144 1091 P CA 0.589 63.579 63.100 -0.185 0.000 0.783 1091 P CB 0.363 32.067 31.700 0.007 0.000 0.771 1092 N N -0.103 118.558 118.700 -0.066 0.000 2.463 1092 N HA -0.015 4.726 4.740 0.001 0.000 0.181 1092 N C 0.495 176.003 175.510 -0.004 0.000 1.078 1092 N CA 0.523 53.563 53.050 -0.017 0.000 0.902 1092 N CB 0.097 38.557 38.487 -0.045 0.000 0.970 1092 N HN 0.332 nan 8.380 nan 0.000 0.451 1093 R N 0.032 120.519 120.500 -0.022 0.000 2.718 1093 R HA 0.289 4.629 4.340 0.001 0.000 0.266 1093 R C -0.928 175.375 176.300 0.005 0.000 1.776 1093 R CA -0.676 55.422 56.100 -0.003 0.000 1.567 1093 R CB 0.196 30.490 30.300 -0.011 0.000 1.336 1093 R HN -0.256 nan 8.270 nan 0.000 0.619 1094 K N 2.338 122.759 120.400 0.035 0.000 2.315 1094 K HA 0.010 4.331 4.320 0.001 0.000 0.291 1094 K C -0.213 176.372 176.600 -0.025 0.000 1.074 1094 K CA -0.056 56.248 56.287 0.028 0.000 0.936 1094 K CB 0.763 33.268 32.500 0.009 0.000 1.049 1094 K HN 0.496 nan 8.250 nan 0.000 0.471 1095 Q N 5.151 124.941 119.800 -0.017 0.000 2.289 1095 Q HA 0.127 4.467 4.340 0.001 0.000 0.273 1095 Q C -0.827 175.126 176.000 -0.078 0.000 1.029 1095 Q CA -0.001 55.783 55.803 -0.033 0.000 0.896 1095 Q CB 0.489 29.221 28.738 -0.010 0.000 1.182 1095 Q HN 0.614 nan 8.270 nan 0.000 0.385 1096 L N 3.684 124.868 121.223 -0.067 0.000 2.235 1096 L HA 0.620 4.961 4.340 0.001 0.000 0.260 1096 L C -0.598 176.250 176.870 -0.037 0.000 1.025 1096 L CA -1.321 53.474 54.840 -0.075 0.000 0.836 1096 L CB 1.581 43.593 42.059 -0.080 0.000 1.395 1096 L HN 0.642 nan 8.230 nan 0.000 0.443 1097 L N 0.964 122.170 121.223 -0.027 0.000 2.386 1097 L HA 0.484 4.824 4.340 0.001 0.000 0.271 1097 L C -0.803 176.068 176.870 0.000 0.000 0.993 1097 L CA -0.412 54.425 54.840 -0.005 0.000 0.819 1097 L CB 2.266 44.334 42.059 0.014 0.000 1.294 1097 L HN 0.548 nan 8.230 nan 0.000 0.414 1098 Q N 2.370 122.173 119.800 0.005 0.000 2.333 1098 Q HA 0.298 4.638 4.340 0.001 0.000 0.267 1098 Q C -0.931 175.080 176.000 0.018 0.000 1.012 1098 Q CA -0.673 55.136 55.803 0.010 0.000 0.824 1098 Q CB 2.016 30.758 28.738 0.006 0.000 1.290 1098 Q HN 0.504 nan 8.270 nan 0.000 0.449 1099 E N 2.050 122.265 120.200 0.024 0.000 2.366 1099 E HA 0.145 4.495 4.350 0.001 0.000 0.266 1099 E C -0.922 175.695 176.600 0.027 0.000 1.015 1099 E CA -0.020 56.400 56.400 0.033 0.000 0.906 1099 E CB 1.060 30.782 29.700 0.036 0.000 0.979 1099 E HN 0.295 nan 8.360 nan 0.000 0.443 1100 V N 3.673 123.605 119.914 0.029 0.000 2.628 1100 V HA 0.229 4.349 4.120 0.001 0.000 0.306 1100 V C -0.041 176.072 176.094 0.031 0.000 1.045 1100 V CA -0.925 61.389 62.300 0.024 0.000 0.905 1100 V CB 2.049 33.882 31.823 0.017 0.000 0.997 1100 V HN 0.367 nan 8.190 nan 0.000 0.436 1101 V N 5.424 125.355 119.914 0.027 0.000 2.333 1101 V HA 0.368 4.488 4.120 0.001 0.000 0.274 1101 V C 0.278 176.384 176.094 0.020 0.000 1.028 1101 V CA -0.376 61.942 62.300 0.030 0.000 0.851 1101 V CB 1.028 32.868 31.823 0.029 0.000 1.000 1101 V HN 0.656 nan 8.190 nan 0.000 0.456 1102 I N 4.186 124.766 120.570 0.017 0.000 2.845 1102 I HA 0.005 4.175 4.170 0.001 0.000 0.296 1102 I C 0.903 177.024 176.117 0.008 0.000 1.216 1102 I CA 0.669 61.973 61.300 0.007 0.000 1.438 1102 I CB 0.234 38.232 38.000 -0.003 0.000 1.342 1102 I HN 0.672 nan 8.210 nan 0.000 0.577 1103 E N 6.475 126.678 120.200 0.005 0.000 2.830 1103 E HA 0.156 4.506 4.350 0.001 0.000 0.225 1103 E C -0.658 175.944 176.600 0.003 0.000 1.109 1103 E CA -0.240 56.164 56.400 0.006 0.000 1.392 1103 E CB 0.408 30.113 29.700 0.007 0.000 1.349 1103 E HN 0.590 nan 8.360 nan 0.000 0.433 1104 Q N -0.840 118.960 119.800 0.001 0.000 2.900 1104 Q HA 0.226 4.566 4.340 0.001 0.000 0.297 1104 Q C -1.658 174.338 176.000 -0.006 0.000 0.889 1104 Q CA -0.952 54.850 55.803 -0.001 0.000 0.777 1104 Q CB 0.528 29.265 28.738 -0.002 0.000 1.518 1104 Q HN -0.165 nan 8.270 nan 0.000 0.430 1105 D N 1.446 121.843 120.400 -0.006 0.000 2.341 1105 D HA 0.541 5.181 4.640 0.001 0.000 0.245 1105 D C -0.268 176.026 176.300 -0.010 0.000 1.106 1105 D CA -0.111 53.882 54.000 -0.011 0.000 0.905 1105 D CB 0.989 41.785 40.800 -0.008 0.000 1.202 1105 D HN 0.515 nan 8.370 nan 0.000 0.426 1106 L N -1.349 119.867 121.223 -0.011 0.000 2.319 1106 L HA 0.705 5.046 4.340 0.001 0.000 0.267 1106 L C 0.065 176.941 176.870 0.010 0.000 1.011 1106 L CA -1.141 53.699 54.840 -0.000 0.000 0.818 1106 L CB 1.383 43.443 42.059 0.002 0.000 1.316 1106 L HN -0.013 nan 8.230 nan 0.000 0.432 1107 E N 1.483 121.695 120.200 0.020 0.000 2.418 1107 E HA 0.238 4.589 4.350 0.001 0.000 0.261 1107 E C -2.298 174.334 176.600 0.054 0.000 1.070 1107 E CA -0.933 55.481 56.400 0.025 0.000 0.931 1107 E CB 0.384 30.098 29.700 0.023 0.000 0.954 1107 E HN 0.521 nan 8.360 nan 0.000 0.439 1108 P HA 0.079 nan 4.420 nan 0.000 0.268 1108 P C -1.136 176.185 177.300 0.034 0.000 1.205 1108 P CA 0.297 63.359 63.100 -0.063 0.000 0.771 1108 P CB 0.234 31.901 31.700 -0.055 0.000 0.858 1109 F N -0.986 118.926 119.950 -0.064 0.000 2.579 1109 F HA 0.611 5.138 4.527 0.001 0.000 0.324 1109 F C 0.147 175.936 175.800 -0.018 0.000 1.058 1109 F CA -1.399 56.573 58.000 -0.047 0.000 0.944 1109 F CB 1.174 40.132 39.000 -0.070 0.000 1.245 1109 F HN 0.158 nan 8.300 nan 0.000 0.477 1110 E N 0.886 121.177 120.200 0.152 0.000 2.349 1110 E HA 0.664 5.015 4.350 0.001 0.000 0.262 1110 E C -0.740 175.977 176.600 0.194 0.000 1.088 1110 E CA -0.732 55.729 56.400 0.102 0.000 0.899 1110 E CB 1.553 31.311 29.700 0.097 0.000 1.044 1110 E HN 0.884 nan 8.360 nan 0.000 0.420 1111 A N 0.997 123.915 122.820 0.162 0.000 2.608 1111 A HA 0.401 4.721 4.320 0.001 0.000 0.292 1111 A C -0.599 177.084 177.584 0.166 0.000 1.066 1111 A CA -0.758 51.404 52.037 0.209 0.000 0.676 1111 A CB 1.089 20.246 19.000 0.262 0.000 1.277 1111 A HN 0.592 nan 8.150 nan 0.000 0.413 1112 S N 0.507 116.285 115.700 0.129 0.000 2.584 1112 S HA 0.216 4.686 4.470 0.001 0.000 0.270 1112 S C 1.077 175.678 174.600 0.003 0.000 1.346 1112 S CA 0.498 58.745 58.200 0.079 0.000 1.018 1112 S CB 0.919 64.146 63.200 0.045 0.000 0.899 1112 S HN 0.968 nan 8.310 nan 0.000 0.542 1113 K N 1.089 121.465 120.400 -0.040 0.000 2.074 1113 K HA -0.203 4.118 4.320 0.001 0.000 0.209 1113 K C 1.969 178.364 176.600 -0.341 0.000 1.048 1113 K CA 1.885 57.943 56.287 -0.381 0.000 0.926 1113 K CB -0.254 32.123 32.500 -0.205 0.000 0.713 1113 K HN 0.786 nan 8.250 nan 0.000 0.444 1114 E N 0.388 120.495 120.200 -0.155 0.000 2.058 1114 E HA -0.236 4.114 4.350 0.001 0.000 0.194 1114 E C 2.263 178.794 176.600 -0.115 0.000 0.997 1114 E CA 1.477 57.803 56.400 -0.123 0.000 0.801 1114 E CB -0.033 29.622 29.700 -0.074 0.000 0.746 1114 E HN 0.463 nan 8.360 nan 0.000 0.450 1115 Q N 0.108 119.869 119.800 -0.065 0.000 2.050 1115 Q HA -0.164 4.176 4.340 0.001 0.000 0.202 1115 Q C 2.248 178.286 176.000 0.065 0.000 0.980 1115 Q CA 1.315 57.097 55.803 -0.036 0.000 0.840 1115 Q CB -0.223 28.577 28.738 0.103 0.000 0.898 1115 Q HN 0.220 nan 8.270 nan 0.000 0.424 1116 A N 1.598 124.467 122.820 0.082 0.000 1.884 1116 A HA -0.305 4.015 4.320 0.001 0.000 0.219 1116 A C 1.876 179.470 177.584 0.017 0.000 1.197 1116 A CA 1.986 54.072 52.037 0.083 0.000 0.637 1116 A CB -0.694 18.202 19.000 -0.173 0.000 0.827 1116 A HN 0.407 nan 8.150 nan 0.000 0.450 1117 E N -0.472 119.646 120.200 -0.137 0.000 2.058 1117 E HA -0.249 4.101 4.350 0.001 0.000 0.194 1117 E C 2.030 178.597 176.600 -0.056 0.000 0.997 1117 E CA 1.450 57.785 56.400 -0.109 0.000 0.801 1117 E CB -0.324 29.289 29.700 -0.145 0.000 0.746 1117 E HN 0.761 nan 8.360 nan 0.000 0.450 1118 E N 0.292 120.433 120.200 -0.100 0.000 2.065 1118 E HA -0.221 4.129 4.350 0.001 0.000 0.201 1118 E C 1.941 178.479 176.600 -0.103 0.000 1.016 1118 E CA 1.485 57.793 56.400 -0.154 0.000 0.818 1118 E CB -0.321 29.214 29.700 -0.275 0.000 0.749 1118 E HN 0.232 nan 8.360 nan 0.000 0.453 1119 F N 0.816 120.783 119.950 0.028 0.000 2.095 1119 F HA -0.235 4.292 4.527 0.001 0.000 0.298 1119 F C 2.562 178.436 175.800 0.122 0.000 1.104 1119 F CA 1.276 59.348 58.000 0.119 0.000 1.232 1119 F CB -0.110 38.958 39.000 0.113 0.000 0.987 1119 F HN -0.093 nan 8.300 nan 0.000 0.475 1120 K N 0.594 121.130 120.400 0.226 0.000 2.147 1120 K HA -0.172 4.149 4.320 0.001 0.000 0.205 1120 K C 2.120 178.765 176.600 0.075 0.000 1.049 1120 K CA 1.039 57.395 56.287 0.114 0.000 0.936 1120 K CB -0.168 32.345 32.500 0.022 0.000 0.722 1120 K HN 0.032 nan 8.250 nan 0.000 0.446 1121 R N 0.204 120.726 120.500 0.037 0.000 2.073 1121 R HA -0.170 4.170 4.340 0.001 0.000 0.234 1121 R C 2.006 178.297 176.300 -0.015 0.000 1.134 1121 R CA 1.951 58.049 56.100 -0.004 0.000 0.952 1121 R CB -0.177 30.103 30.300 -0.033 0.000 0.850 1121 R HN 0.200 nan 8.270 nan 0.000 0.433 1122 E N -0.646 119.535 120.200 -0.032 0.000 2.107 1122 E HA -0.160 4.190 4.350 0.001 0.000 0.191 1122 E C 1.467 177.948 176.600 -0.198 0.000 0.982 1122 E CA 1.526 57.837 56.400 -0.149 0.000 0.809 1122 E CB 0.050 29.600 29.700 -0.249 0.000 0.756 1122 E HN 0.489 nan 8.360 nan 0.000 0.459 1123 H N -1.155 117.950 119.070 0.058 0.000 2.557 1123 H HA 0.244 4.800 4.556 0.001 0.000 0.281 1123 H C 1.513 176.857 175.328 0.026 0.000 0.990 1123 H CA 0.748 56.826 56.048 0.051 0.000 1.278 1123 H CB 0.335 30.139 29.762 0.070 0.000 1.451 1123 H HN 0.292 nan 8.280 nan 0.000 0.516 1124 G N 2.320 111.196 108.800 0.127 0.000 2.634 1124 G HA2 -0.439 3.522 3.960 0.001 0.000 0.318 1124 G HA3 -0.439 3.522 3.960 0.001 0.000 0.318 1124 G C 1.009 175.941 174.900 0.052 0.000 1.207 1124 G CA 0.884 46.021 45.100 0.062 0.000 0.987 1124 G HN 0.369 nan 8.290 nan 0.000 0.547 1125 D N 0.783 121.209 120.400 0.044 0.000 2.191 1125 D HA -0.083 4.557 4.640 0.001 0.000 0.195 1125 D C 2.172 178.492 176.300 0.033 0.000 1.003 1125 D CA 1.773 55.793 54.000 0.034 0.000 0.867 1125 D CB -0.129 40.691 40.800 0.034 0.000 0.926 1125 D HN 0.390 nan 8.370 nan 0.000 0.450 1126 K N -0.493 119.941 120.400 0.057 0.000 2.446 1126 K HA 0.246 4.566 4.320 0.001 0.000 0.203 1126 K C -0.694 175.899 176.600 -0.012 0.000 1.027 1126 K CA -0.104 56.205 56.287 0.036 0.000 1.166 1126 K CB 0.973 33.515 32.500 0.070 0.000 0.869 1126 K HN -0.103 nan 8.250 nan 0.000 0.504 1127 V N 0.359 120.269 119.914 -0.006 0.000 2.932 1127 V HA 0.279 4.399 4.120 0.001 0.000 0.307 1127 V C -1.056 174.980 176.094 -0.096 0.000 1.147 1127 V CA -1.037 61.222 62.300 -0.068 0.000 0.951 1127 V CB 2.558 34.349 31.823 -0.052 0.000 1.031 1127 V HN 0.089 nan 8.190 nan 0.000 0.426 1128 E N 4.494 124.605 120.200 -0.148 0.000 2.176 1128 E HA 0.696 5.047 4.350 0.001 0.000 0.267 1128 E C -1.112 175.250 176.600 -0.397 0.000 0.893 1128 E CA -0.526 55.708 56.400 -0.276 0.000 0.761 1128 E CB 2.471 32.118 29.700 -0.089 0.000 1.133 1128 E HN 0.668 nan 8.360 nan 0.000 0.409 1129 I N -0.640 119.577 120.570 -0.587 0.000 2.608 1129 I HA 0.647 4.818 4.170 0.001 0.000 0.295 1129 I C -1.101 174.626 176.117 -0.651 0.000 1.049 1129 I CA -1.000 60.059 61.300 -0.402 0.000 1.063 1129 I CB 1.197 39.156 38.000 -0.068 0.000 1.248 1129 I HN 0.284 nan 8.210 nan 0.000 0.424 1130 F N 1.580 121.552 119.950 0.037 0.000 2.588 1130 F HA 0.466 4.993 4.527 0.000 0.000 0.310 1130 F C 0.336 175.805 175.800 -0.552 0.000 1.082 1130 F CA -0.748 57.163 58.000 -0.148 0.000 0.929 1130 F CB 1.711 40.636 39.000 -0.125 0.000 1.254 1130 F HN 0.512 nan 8.300 nan 0.000 0.455 1131 E N 1.529 121.347 120.200 -0.636 0.000 2.418 1131 E HA 0.207 4.558 4.350 0.001 0.000 0.261 1131 E C -0.673 175.712 176.600 -0.358 0.000 1.070 1131 E CA 0.058 55.925 56.400 -0.888 0.000 0.931 1131 E CB 0.897 30.278 29.700 -0.532 0.000 0.954 1131 E HN 0.421 nan 8.360 nan 0.000 0.439 1132 I N 4.636 125.044 120.570 -0.270 0.000 2.291 1132 I HA 0.082 4.253 4.170 0.001 0.000 0.290 1132 I C -1.695 174.363 176.117 -0.098 0.000 1.050 1132 I CA -1.919 59.307 61.300 -0.123 0.000 1.245 1132 I CB 1.099 39.062 38.000 -0.061 0.000 1.405 1132 I HN 0.286 nan 8.210 nan 0.000 0.478 1133 P HA -0.165 nan 4.420 nan 0.000 0.221 1133 P C 0.717 177.995 177.300 -0.037 0.000 1.145 1133 P CA 1.333 64.396 63.100 -0.061 0.000 0.795 1133 P CB 0.228 31.896 31.700 -0.053 0.000 0.775 1134 E N -1.418 118.763 120.200 -0.032 0.000 2.140 1134 E HA -0.009 4.342 4.350 0.001 0.000 0.191 1134 E C 0.989 177.586 176.600 -0.006 0.000 0.973 1134 E CA 1.402 57.792 56.400 -0.017 0.000 0.829 1134 E CB -0.328 29.361 29.700 -0.017 0.000 0.781 1134 E HN 0.290 nan 8.360 nan 0.000 0.466 1135 T N -2.973 111.579 114.554 -0.003 0.000 3.231 1135 T HA 0.391 4.741 4.350 0.001 0.000 0.292 1135 T C 1.346 176.065 174.700 0.031 0.000 1.001 1135 T CA -0.029 62.080 62.100 0.014 0.000 0.920 1135 T CB 0.852 69.731 68.868 0.019 0.000 1.140 1135 T HN 0.250 nan 8.240 nan 0.000 0.525 1136 G N 1.688 110.502 108.800 0.023 0.000 2.200 1136 G HA2 -0.292 3.669 3.960 0.001 0.000 0.268 1136 G HA3 -0.292 3.669 3.960 0.001 0.000 0.268 1136 G C 0.284 175.267 174.900 0.139 0.000 0.986 1136 G CA 0.466 45.605 45.100 0.064 0.000 0.677 1136 G HN 0.589 nan 8.290 nan 0.000 0.532 1137 Q N -1.225 118.634 119.800 0.098 0.000 2.397 1137 Q HA 0.678 5.018 4.340 0.001 0.000 0.193 1137 Q C 0.043 176.159 176.000 0.194 0.000 1.083 1137 Q CA -0.017 55.888 55.803 0.170 0.000 1.108 1137 Q CB 0.515 29.313 28.738 0.099 0.000 1.172 1137 Q HN 0.485 nan 8.270 nan 0.000 0.617 1138 Y N -1.351 118.959 120.300 0.016 0.000 2.669 1138 Y HA 0.393 4.943 4.550 0.001 0.000 0.335 1138 Y C -0.199 175.678 175.900 -0.039 0.000 1.116 1138 Y CA -0.760 57.340 58.100 -0.000 0.000 1.081 1138 Y CB 2.340 40.793 38.460 -0.011 0.000 1.297 1138 Y HN 0.552 nan 8.280 nan 0.000 0.484 1139 T N -0.792 113.813 114.554 0.085 0.000 2.881 1139 T HA 0.703 5.054 4.350 0.001 0.000 0.290 1139 T C -1.670 172.907 174.700 -0.205 0.000 1.000 1139 T CA -0.731 61.330 62.100 -0.065 0.000 0.978 1139 T CB 0.864 69.734 68.868 0.002 0.000 0.997 1139 T HN 0.338 nan 8.240 nan 0.000 0.443 1140 V N 3.663 123.237 119.914 -0.567 0.000 2.409 1140 V HA 0.652 4.773 4.120 0.001 0.000 0.291 1140 V C 0.157 175.829 176.094 -0.703 0.000 1.020 1140 V CA -0.922 60.911 62.300 -0.779 0.000 0.848 1140 V CB 1.286 32.297 31.823 -1.355 0.000 0.990 1140 V HN 1.016 nan 8.190 nan 0.000 0.430 1141 R N 4.390 124.675 120.500 -0.358 0.000 2.439 1141 R HA 0.659 4.999 4.340 0.001 0.000 0.310 1141 R C -1.645 174.551 176.300 -0.173 0.000 0.955 1141 R CA -0.767 55.212 56.100 -0.202 0.000 0.853 1141 R CB 1.345 31.597 30.300 -0.081 0.000 1.171 1141 R HN 0.608 nan 8.270 nan 0.000 0.449 1142 L N 4.292 125.430 121.223 -0.143 0.000 2.326 1142 L HA 0.451 4.791 4.340 0.001 0.000 0.278 1142 L C 0.836 177.653 176.870 -0.088 0.000 1.092 1142 L CA -0.032 54.714 54.840 -0.156 0.000 0.810 1142 L CB 0.912 42.862 42.059 -0.182 0.000 1.153 1142 L HN 0.492 nan 8.230 nan 0.000 0.439 1143 R N 1.345 121.802 120.500 -0.072 0.000 2.608 1143 R HA 0.356 4.697 4.340 0.001 0.000 0.255 1143 R C -0.170 176.118 176.300 -0.020 0.000 1.086 1143 R CA -1.163 54.918 56.100 -0.032 0.000 1.125 1143 R CB 0.850 31.142 30.300 -0.014 0.000 1.193 1143 R HN 0.474 nan 8.270 nan 0.000 0.553 1144 K N 0.249 120.645 120.400 -0.006 0.000 2.484 1144 K HA -0.005 4.316 4.320 0.001 0.000 0.280 1144 K C 0.550 177.156 176.600 0.010 0.000 1.013 1144 K CA 1.292 57.580 56.287 0.002 0.000 1.029 1144 K CB 0.144 32.647 32.500 0.005 0.000 0.902 1144 K HN 0.779 nan 8.250 nan 0.000 0.481 1145 G N 1.988 110.797 108.800 0.016 0.000 2.238 1145 G HA2 -0.246 3.715 3.960 0.001 0.000 0.217 1145 G HA3 -0.246 3.715 3.960 0.001 0.000 0.217 1145 G C 0.188 175.115 174.900 0.045 0.000 0.996 1145 G CA -0.052 45.065 45.100 0.029 0.000 0.632 1145 G HN 0.963 nan 8.290 nan 0.000 0.503 1146 A N 0.245 123.085 122.820 0.034 0.000 2.492 1146 A HA 0.590 4.911 4.320 0.001 0.000 0.236 1146 A C 0.638 178.271 177.584 0.082 0.000 1.078 1146 A CA 1.598 53.667 52.037 0.052 0.000 0.773 1146 A CB 0.194 19.151 19.000 -0.070 0.000 1.023 1146 A HN 0.957 nan 8.150 nan 0.000 0.504 1147 T N 1.872 116.527 114.554 0.168 0.000 2.807 1147 T HA 0.589 4.940 4.350 0.001 0.000 0.279 1147 T C -0.273 174.520 174.700 0.156 0.000 0.993 1147 T CA -0.232 61.953 62.100 0.142 0.000 0.970 1147 T CB 0.750 69.698 68.868 0.133 0.000 0.950 1147 T HN 0.469 nan 8.240 nan 0.000 0.441 1148 L N 2.521 123.796 121.223 0.087 0.000 2.279 1148 L HA 0.674 5.014 4.340 0.001 0.000 0.262 1148 L C -1.003 175.898 176.870 0.053 0.000 1.019 1148 L CA -1.307 53.573 54.840 0.067 0.000 0.823 1148 L CB 1.882 43.958 42.059 0.028 0.000 1.358 1148 L HN 0.413 nan 8.230 nan 0.000 0.432 1149 L N 2.608 123.853 121.223 0.036 0.000 2.372 1149 L HA 0.521 4.862 4.340 0.001 0.000 0.273 1149 L C -0.914 175.960 176.870 0.007 0.000 0.989 1149 L CA -0.286 54.569 54.840 0.025 0.000 0.841 1149 L CB 1.890 43.964 42.059 0.026 0.000 1.225 1149 L HN 0.394 nan 8.230 nan 0.000 0.414 1150 I N 4.347 124.920 120.570 0.005 0.000 2.354 1150 I HA 0.390 4.561 4.170 0.001 0.000 0.292 1150 I C -2.206 173.908 176.117 -0.005 0.000 0.989 1150 I CA -2.218 59.080 61.300 -0.003 0.000 1.188 1150 I CB 1.770 39.767 38.000 -0.003 0.000 1.342 1150 I HN 0.246 nan 8.210 nan 0.000 0.457 1151 P HA 0.080 nan 4.420 nan 0.000 0.266 1151 P C -1.107 176.188 177.300 -0.009 0.000 1.195 1151 P CA 0.018 63.112 63.100 -0.011 0.000 0.768 1151 P CB 0.444 32.136 31.700 -0.013 0.000 0.838 1152 K N 1.023 121.417 120.400 -0.011 0.000 2.469 1152 K HA 0.921 5.241 4.320 0.001 0.000 0.268 1152 K C -1.609 174.984 176.600 -0.010 0.000 1.027 1152 K CA -1.278 55.004 56.287 -0.008 0.000 0.893 1152 K CB 1.936 34.433 32.500 -0.005 0.000 1.460 1152 K HN 0.286 nan 8.250 nan 0.000 0.449 1153 A N 1.082 123.900 122.820 -0.003 0.000 2.454 1153 A HA 0.767 5.087 4.320 0.001 0.000 0.302 1153 A C -1.344 176.249 177.584 0.015 0.000 1.079 1153 A CA -0.949 51.089 52.037 0.001 0.000 0.731 1153 A CB 1.343 20.345 19.000 0.002 0.000 1.299 1153 A HN 0.580 nan 8.150 nan 0.000 0.413 1154 L N 0.299 121.540 121.223 0.030 0.000 2.333 1154 L HA 0.483 4.823 4.340 0.001 0.000 0.263 1154 L C -0.353 176.573 176.870 0.094 0.000 1.014 1154 L CA -0.603 54.276 54.840 0.065 0.000 0.820 1154 L CB 2.362 44.474 42.059 0.089 0.000 1.352 1154 L HN 0.831 nan 8.230 nan 0.000 0.421 1155 Q N 1.659 121.523 119.800 0.107 0.000 2.465 1155 Q HA 0.309 4.649 4.340 0.001 0.000 0.237 1155 Q C -1.061 175.067 176.000 0.214 0.000 1.051 1155 Q CA -0.437 55.437 55.803 0.119 0.000 0.874 1155 Q CB 1.195 29.968 28.738 0.058 0.000 1.207 1155 Q HN 0.247 nan 8.270 nan 0.000 0.508 1156 F N 2.271 122.255 119.950 0.056 0.000 2.382 1156 F HA 0.143 4.670 4.527 0.001 0.000 0.331 1156 F C 0.772 176.599 175.800 0.046 0.000 1.121 1156 F CA -0.698 57.352 58.000 0.084 0.000 1.183 1156 F CB 1.075 40.177 39.000 0.171 0.000 1.207 1156 F HN 0.504 nan 8.300 nan 0.000 0.555 1157 D N 2.334 122.514 120.400 -0.367 0.000 2.327 1157 D HA -0.019 4.621 4.640 0.001 0.000 0.205 1157 D C 0.472 176.516 176.300 -0.426 0.000 0.989 1157 D CA 0.549 54.363 54.000 -0.310 0.000 0.873 1157 D CB 0.072 40.739 40.800 -0.223 0.000 0.955 1157 D HN 0.282 nan 8.370 nan 0.000 0.515 1158 R N 1.516 121.502 120.500 -0.857 0.000 2.891 1158 R HA 0.222 4.563 4.340 0.001 0.000 0.248 1158 R C 0.725 176.907 176.300 -0.197 0.000 1.439 1158 R CA -0.121 55.684 56.100 -0.491 0.000 1.288 1158 R CB -0.142 29.844 30.300 -0.524 0.000 1.212 1158 R HN 0.135 nan 8.270 nan 0.000 0.605 1159 L N 0.490 121.662 121.223 -0.084 0.000 2.446 1159 L HA 0.054 4.394 4.340 0.001 0.000 0.219 1159 L C 0.567 177.453 176.870 0.026 0.000 1.116 1159 L CA 0.666 55.508 54.840 0.002 0.000 0.844 1159 L CB 0.201 42.293 42.059 0.056 0.000 0.970 1159 L HN 0.046 nan 8.230 nan 0.000 0.457 1160 V N -0.879 119.030 119.914 -0.008 0.000 2.555 1160 V HA 0.892 5.013 4.120 0.001 0.000 0.302 1160 V C -0.157 175.848 176.094 -0.147 0.000 1.038 1160 V CA -0.799 61.472 62.300 -0.047 0.000 0.887 1160 V CB 1.408 33.203 31.823 -0.046 0.000 0.991 1160 V HN 0.017 nan 8.190 nan 0.000 0.434 1161 A N 2.334 125.019 122.820 -0.224 0.000 2.574 1161 A HA 0.833 5.154 4.320 0.001 0.000 0.297 1161 A C -0.088 177.343 177.584 -0.254 0.000 1.062 1161 A CA -0.164 51.643 52.037 -0.384 0.000 0.686 1161 A CB 1.693 20.070 19.000 -1.037 0.000 1.285 1161 A HN 1.305 nan 8.150 nan 0.000 0.403 1162 G N 0.712 109.407 108.800 -0.173 0.000 2.351 1162 G HA2 0.512 4.473 3.960 0.001 0.000 0.287 1162 G HA3 0.512 4.473 3.960 0.001 0.000 0.287 1162 G C -0.413 174.446 174.900 -0.068 0.000 1.159 1162 G CA -0.086 44.960 45.100 -0.091 0.000 0.929 1162 G HN 0.719 nan 8.290 nan 0.000 0.435 1163 Q N 1.772 121.524 119.800 -0.079 0.000 2.375 1163 Q HA 0.405 4.745 4.340 0.001 0.000 0.271 1163 Q C -0.462 175.487 176.000 -0.085 0.000 1.074 1163 Q CA -1.075 54.726 55.803 -0.003 0.000 0.808 1163 Q CB 2.529 31.337 28.738 0.116 0.000 1.327 1163 Q HN 0.463 nan 8.270 nan 0.000 0.441 1164 I N 3.319 123.826 120.570 -0.106 0.000 2.996 1164 I HA -0.100 4.071 4.170 0.001 0.000 0.311 1164 I C -2.070 173.993 176.117 -0.090 0.000 1.219 1164 I CA -0.647 60.542 61.300 -0.185 0.000 1.452 1164 I CB -0.272 37.554 38.000 -0.291 0.000 1.319 1164 I HN 0.424 nan 8.210 nan 0.000 0.564 1165 P HA -0.069 nan 4.420 nan 0.000 0.261 1165 P C -0.535 176.816 177.300 0.085 0.000 1.165 1165 P CA 0.254 63.358 63.100 0.006 0.000 0.759 1165 P CB 0.030 31.760 31.700 0.051 0.000 0.772 1166 T N 3.388 117.998 114.554 0.093 0.000 2.891 1166 T HA 0.317 4.667 4.350 0.001 0.000 0.258 1166 T C 1.343 176.091 174.700 0.081 0.000 0.942 1166 T CA 1.070 63.219 62.100 0.081 0.000 1.200 1166 T CB -0.925 67.972 68.868 0.049 0.000 0.922 1166 T HN 0.754 nan 8.240 nan 0.000 0.585 1167 G N 2.509 111.349 108.800 0.066 0.000 2.935 1167 G HA2 -0.140 3.821 3.960 0.001 0.000 0.213 1167 G HA3 -0.140 3.821 3.960 0.001 0.000 0.213 1167 G C -0.044 174.862 174.900 0.009 0.000 0.984 1167 G CA -1.000 44.098 45.100 -0.003 0.000 0.790 1167 G HN 0.622 nan 8.290 nan 0.000 0.538 1168 W N 2.505 123.762 121.300 -0.071 0.000 2.223 1168 W HA 0.534 5.194 4.660 0.001 0.000 0.334 1168 W C -0.501 175.993 176.519 -0.041 0.000 1.334 1168 W CA 1.010 58.326 57.345 -0.048 0.000 1.246 1168 W CB 0.853 30.340 29.460 0.045 0.000 1.184 1168 W HN 0.077 nan 8.180 nan 0.000 0.563 1169 D N 3.517 123.469 120.400 -0.748 0.000 2.964 1169 D HA 0.341 4.982 4.640 0.001 0.000 0.234 1169 D C 0.519 176.190 176.300 -1.048 0.000 1.223 1169 D CA -0.162 53.416 54.000 -0.704 0.000 0.889 1169 D CB 1.957 42.504 40.800 -0.421 0.000 1.609 1169 D HN 0.419 nan 8.370 nan 0.000 0.523 1170 A N 3.609 125.916 122.820 -0.855 0.000 2.234 1170 A HA -0.119 4.202 4.320 0.001 0.000 0.216 1170 A C 1.855 179.246 177.584 -0.322 0.000 1.167 1170 A CA 1.080 52.808 52.037 -0.514 0.000 0.698 1170 A CB -0.243 18.599 19.000 -0.264 0.000 0.779 1170 A HN 0.584 nan 8.150 nan 0.000 0.475 1171 R N -0.906 119.376 120.500 -0.364 0.000 2.173 1171 R HA 0.067 4.408 4.340 0.001 0.000 0.208 1171 R C 2.131 178.254 176.300 -0.297 0.000 1.035 1171 R CA 0.448 56.384 56.100 -0.273 0.000 1.004 1171 R CB -0.084 30.070 30.300 -0.243 0.000 0.917 1171 R HN 0.483 nan 8.270 nan 0.000 0.462 1172 R N -0.607 119.596 120.500 -0.495 0.000 2.120 1172 R HA -0.150 4.190 4.340 0.001 0.000 0.234 1172 R C 1.482 177.537 176.300 -0.408 0.000 1.123 1172 R CA 1.362 57.074 56.100 -0.646 0.000 0.975 1172 R CB -0.203 29.362 30.300 -1.225 0.000 0.866 1172 R HN 0.352 nan 8.270 nan 0.000 0.446 1173 Y N -0.574 119.639 120.300 -0.145 0.000 2.395 1173 Y HA 0.029 4.579 4.550 0.001 0.000 0.293 1173 Y C 1.795 177.750 175.900 0.092 0.000 1.123 1173 Y CA 0.878 59.028 58.100 0.083 0.000 1.227 1173 Y CB 0.433 38.944 38.460 0.084 0.000 1.012 1173 Y HN 0.333 nan 8.280 nan 0.000 0.552 1174 G N -0.615 108.253 108.800 0.114 0.000 2.183 1174 G HA2 -0.214 3.746 3.960 0.001 0.000 0.168 1174 G HA3 -0.214 3.746 3.960 0.001 0.000 0.168 1174 G C -0.266 174.685 174.900 0.085 0.000 1.008 1174 G CA -0.207 44.965 45.100 0.120 0.000 0.677 1174 G HN 0.035 nan 8.290 nan 0.000 0.498 1175 V N 2.269 122.084 119.914 -0.165 0.000 2.694 1175 V HA 0.277 4.398 4.120 0.001 0.000 0.306 1175 V C -1.234 174.759 176.094 -0.169 0.000 1.054 1175 V CA -0.410 61.648 62.300 -0.403 0.000 1.161 1175 V CB 0.833 32.291 31.823 -0.608 0.000 0.916 1175 V HN 0.200 nan 8.190 nan 0.000 0.490 1176 P HA 0.105 nan 4.420 nan 0.000 0.268 1176 P C 0.626 177.867 177.300 -0.098 0.000 1.205 1176 P CA -0.137 62.934 63.100 -0.049 0.000 0.771 1176 P CB 0.734 32.435 31.700 0.002 0.000 0.858 1177 E N 3.243 123.396 120.200 -0.078 0.000 2.070 1177 E HA -0.279 4.071 4.350 0.001 0.000 0.197 1177 E C 1.289 177.833 176.600 -0.092 0.000 1.004 1177 E CA 2.180 58.527 56.400 -0.089 0.000 0.805 1177 E CB -0.632 29.028 29.700 -0.066 0.000 0.744 1177 E HN 0.526 nan 8.360 nan 0.000 0.451 1178 D N 0.246 120.605 120.400 -0.069 0.000 2.149 1178 D HA -0.204 4.436 4.640 0.001 0.000 0.198 1178 D C 1.908 178.139 176.300 -0.115 0.000 0.990 1178 D CA 1.025 54.986 54.000 -0.064 0.000 0.839 1178 D CB -0.331 40.453 40.800 -0.026 0.000 0.948 1178 D HN 0.318 nan 8.370 nan 0.000 0.460 1179 I N 0.709 121.183 120.570 -0.160 0.000 2.500 1179 I HA -0.125 4.046 4.170 0.001 0.000 0.252 1179 I C 2.549 178.476 176.117 -0.316 0.000 1.142 1179 I CA 0.252 61.374 61.300 -0.297 0.000 1.451 1179 I CB -0.400 37.412 38.000 -0.314 0.000 1.093 1179 I HN 0.008 nan 8.210 nan 0.000 0.430 1180 I N 0.814 121.243 120.570 -0.235 0.000 2.163 1180 I HA -0.287 3.884 4.170 0.001 0.000 0.243 1180 I C 2.540 178.549 176.117 -0.179 0.000 1.085 1180 I CA 1.530 62.702 61.300 -0.212 0.000 1.347 1180 I CB -0.976 36.921 38.000 -0.172 0.000 1.044 1180 I HN 0.330 nan 8.210 nan 0.000 0.408 1181 Q N -0.003 119.712 119.800 -0.142 0.000 2.224 1181 Q HA -0.228 4.113 4.340 0.001 0.000 0.203 1181 Q C 2.085 178.024 176.000 -0.102 0.000 0.970 1181 Q CA 1.297 57.038 55.803 -0.103 0.000 0.865 1181 Q CB -0.278 28.416 28.738 -0.073 0.000 0.922 1181 Q HN 0.596 nan 8.270 nan 0.000 0.445 1182 Q N -0.013 119.701 119.800 -0.143 0.000 2.250 1182 Q HA 0.023 4.364 4.340 0.001 0.000 0.200 1182 Q C 0.193 176.115 176.000 -0.130 0.000 0.941 1182 Q CA 0.415 56.149 55.803 -0.115 0.000 0.872 1182 Q CB 0.646 29.309 28.738 -0.124 0.000 0.965 1182 Q HN 0.056 nan 8.270 nan 0.000 0.480 1183 V N 0.862 120.630 119.914 -0.243 0.000 2.994 1183 V HA 0.265 4.385 4.120 0.001 0.000 0.318 1183 V C -0.055 175.941 176.094 -0.163 0.000 1.085 1183 V CA -1.136 61.020 62.300 -0.240 0.000 0.998 1183 V CB 1.512 33.018 31.823 -0.528 0.000 1.063 1183 V HN 0.171 nan 8.190 nan 0.000 0.447 1184 D N 1.987 122.324 120.400 -0.104 0.000 2.443 1184 D HA 0.110 4.751 4.640 0.001 0.000 0.239 1184 D C -1.659 174.527 176.300 -0.190 0.000 1.136 1184 D CA -1.220 52.723 54.000 -0.095 0.000 0.879 1184 D CB 2.039 42.822 40.800 -0.030 0.000 1.195 1184 D HN 0.207 nan 8.370 nan 0.000 0.443 1185 P HA -0.184 nan 4.420 nan 0.000 0.216 1185 P C 1.702 178.583 177.300 -0.698 0.000 1.154 1185 P CA 0.572 63.430 63.100 -0.404 0.000 0.865 1185 P CB 0.248 31.777 31.700 -0.284 0.000 0.789 1186 V N -0.421 119.257 119.914 -0.393 0.000 2.231 1186 V HA -0.336 3.784 4.120 0.001 0.000 0.250 1186 V C 2.325 178.206 176.094 -0.355 0.000 1.058 1186 V CA 2.828 64.978 62.300 -0.250 0.000 1.022 1186 V CB -1.639 30.156 31.823 -0.047 0.000 0.640 1186 V HN 0.213 nan 8.190 nan 0.000 0.445 1187 T N 0.072 114.440 114.554 -0.311 0.000 2.759 1187 T HA -0.177 4.173 4.350 0.001 0.000 0.269 1187 T C 1.813 176.384 174.700 -0.215 0.000 1.042 1187 T CA 1.584 63.531 62.100 -0.256 0.000 1.140 1187 T CB -0.293 68.473 68.868 -0.170 0.000 0.864 1187 T HN 0.307 nan 8.240 nan 0.000 0.455 1188 L N -0.396 120.659 121.223 -0.279 0.000 2.042 1188 L HA -0.141 4.199 4.340 0.001 0.000 0.210 1188 L C 2.339 179.243 176.870 0.058 0.000 1.076 1188 L CA 1.751 56.482 54.840 -0.181 0.000 0.749 1188 L CB -0.702 41.230 42.059 -0.212 0.000 0.893 1188 L HN 0.449 nan 8.230 nan 0.000 0.432 1189 Y N -0.940 119.420 120.300 0.099 0.000 2.114 1189 Y HA -0.240 4.310 4.550 0.001 0.000 0.284 1189 Y C 2.656 178.594 175.900 0.063 0.000 1.143 1189 Y CA 0.669 58.814 58.100 0.075 0.000 1.135 1189 Y CB -0.568 37.886 38.460 -0.010 0.000 0.980 1189 Y HN -0.121 nan 8.280 nan 0.000 0.499 1190 V N 0.550 120.542 119.914 0.129 0.000 2.392 1190 V HA -0.305 3.816 4.120 0.001 0.000 0.249 1190 V C 2.263 178.443 176.094 0.143 0.000 1.059 1190 V CA 1.550 63.904 62.300 0.090 0.000 1.051 1190 V CB -0.686 31.069 31.823 -0.113 0.000 0.658 1190 V HN 0.411 nan 8.190 nan 0.000 0.455 1191 L N -0.648 120.643 121.223 0.113 0.000 1.976 1191 L HA -0.157 4.184 4.340 0.001 0.000 0.209 1191 L C 2.525 179.553 176.870 0.264 0.000 1.071 1191 L CA 1.484 56.437 54.840 0.187 0.000 0.746 1191 L CB -0.561 41.494 42.059 -0.006 0.000 0.890 1191 L HN 0.179 nan 8.230 nan 0.000 0.432 1192 V N -0.709 119.300 119.914 0.159 0.000 2.332 1192 V HA -0.333 3.788 4.120 0.001 0.000 0.248 1192 V C 2.729 178.910 176.094 0.145 0.000 1.055 1192 V CA 1.966 64.346 62.300 0.133 0.000 1.038 1192 V CB -0.392 31.470 31.823 0.065 0.000 0.651 1192 V HN 0.528 nan 8.190 nan 0.000 0.450 1193 S N -0.180 115.623 115.700 0.172 0.000 2.378 1193 S HA -0.220 4.250 4.470 0.001 0.000 0.221 1193 S C 2.009 176.717 174.600 0.180 0.000 1.037 1193 S CA 2.249 60.547 58.200 0.163 0.000 1.069 1193 S CB -0.456 62.855 63.200 0.185 0.000 1.006 1193 S HN 0.288 nan 8.310 nan 0.000 0.423 1194 V N 2.197 122.232 119.914 0.202 0.000 2.527 1194 V HA -0.213 3.907 4.120 0.001 0.000 0.255 1194 V C 2.737 178.950 176.094 0.199 0.000 1.081 1194 V CA 1.895 64.313 62.300 0.196 0.000 1.092 1194 V CB -1.372 30.572 31.823 0.202 0.000 0.673 1194 V HN 0.666 nan 8.190 nan 0.000 0.470 1195 A N -1.008 121.954 122.820 0.238 0.000 1.898 1195 A HA -0.150 4.170 4.320 0.001 0.000 0.214 1195 A C 2.207 179.928 177.584 0.228 0.000 1.183 1195 A CA 1.349 53.520 52.037 0.223 0.000 0.622 1195 A CB -0.360 18.844 19.000 0.340 0.000 0.824 1195 A HN 0.552 nan 8.150 nan 0.000 0.444 1196 E N -0.346 119.986 120.200 0.220 0.000 2.208 1196 E HA -0.036 4.315 4.350 0.001 0.000 0.193 1196 E C 2.157 178.905 176.600 0.246 0.000 0.988 1196 E CA 0.670 57.221 56.400 0.253 0.000 0.828 1196 E CB -0.146 29.683 29.700 0.215 0.000 0.763 1196 E HN 0.604 nan 8.360 nan 0.000 0.478 1197 A N 0.773 123.709 122.820 0.193 0.000 1.929 1197 A HA -0.101 4.220 4.320 0.001 0.000 0.216 1197 A C 2.072 179.765 177.584 0.182 0.000 1.176 1197 A CA 0.714 52.848 52.037 0.162 0.000 0.628 1197 A CB -0.374 18.707 19.000 0.135 0.000 0.816 1197 A HN 0.157 nan 8.150 nan 0.000 0.444 1198 L N -0.898 120.439 121.223 0.191 0.000 2.141 1198 L HA -0.091 4.250 4.340 0.001 0.000 0.209 1198 L C 2.536 179.512 176.870 0.177 0.000 1.094 1198 L CA 0.909 55.859 54.840 0.184 0.000 0.763 1198 L CB -0.340 41.819 42.059 0.167 0.000 0.908 1198 L HN 0.466 nan 8.230 nan 0.000 0.437 1199 L N -0.395 120.968 121.223 0.234 0.000 2.072 1199 L HA -0.167 4.173 4.340 0.001 0.000 0.205 1199 L C 2.800 179.889 176.870 0.366 0.000 1.079 1199 L CA 1.363 56.355 54.840 0.253 0.000 0.752 1199 L CB -0.092 42.164 42.059 0.328 0.000 0.906 1199 L HN 0.350 nan 8.230 nan 0.000 0.436 1200 S N -2.279 113.705 115.700 0.474 0.000 2.500 1200 S HA -0.169 4.301 4.470 0.001 0.000 0.239 1200 S C 1.792 176.636 174.600 0.407 0.000 0.989 1200 S CA 1.292 59.834 58.200 0.571 0.000 0.951 1200 S CB -0.264 63.113 63.200 0.296 0.000 0.759 1200 S HN 0.418 nan 8.310 nan 0.000 0.523 1201 S N -0.472 115.369 115.700 0.234 0.000 2.554 1201 S HA 0.464 4.935 4.470 0.001 0.000 0.226 1201 S C 1.285 175.863 174.600 -0.036 0.000 0.980 1201 S CA 0.508 58.750 58.200 0.071 0.000 0.939 1201 S CB -0.644 62.628 63.200 0.120 0.000 0.832 1201 S HN 1.318 nan 8.310 nan 0.000 0.486 1202 G N 1.514 110.386 108.800 0.120 0.000 2.184 1202 G HA2 -0.198 3.762 3.960 0.001 0.000 0.264 1202 G HA3 -0.198 3.762 3.960 0.001 0.000 0.264 1202 G C 0.015 174.923 174.900 0.013 0.000 0.975 1202 G CA 0.277 45.490 45.100 0.190 0.000 0.642 1202 G HN 0.513 nan 8.290 nan 0.000 0.536 1203 I N 1.852 122.391 120.570 -0.052 0.000 2.352 1203 I HA 0.280 4.450 4.170 0.001 0.000 0.290 1203 I C 1.441 177.472 176.117 -0.143 0.000 1.036 1203 I CA 0.363 61.560 61.300 -0.171 0.000 1.336 1203 I CB 0.517 38.367 38.000 -0.251 0.000 1.407 1203 I HN 0.009 nan 8.210 nan 0.000 0.497 1204 T N 3.323 117.728 114.554 -0.248 0.000 2.818 1204 T HA -0.038 4.313 4.350 0.001 0.000 0.246 1204 T C 0.562 175.036 174.700 -0.376 0.000 1.036 1204 T CA 0.822 62.653 62.100 -0.449 0.000 1.160 1204 T CB 0.084 68.552 68.868 -0.667 0.000 0.869 1204 T HN 0.584 nan 8.240 nan 0.000 0.419 1205 D N 1.440 121.658 120.400 -0.304 0.000 2.274 1205 D HA 0.227 4.868 4.640 0.001 0.000 0.239 1205 D C -2.051 174.134 176.300 -0.191 0.000 1.104 1205 D CA -2.499 51.351 54.000 -0.249 0.000 0.840 1205 D CB 1.886 42.570 40.800 -0.194 0.000 1.100 1205 D HN -0.003 nan 8.370 nan 0.000 0.477 1206 P HA -0.087 nan 4.420 nan 0.000 0.228 1206 P C 0.823 178.178 177.300 0.092 0.000 1.151 1206 P CA 0.573 63.689 63.100 0.027 0.000 0.770 1206 P CB 0.045 31.795 31.700 0.083 0.000 0.786 1207 Y N 0.500 120.771 120.300 -0.048 0.000 2.352 1207 Y HA -0.119 4.432 4.550 0.001 0.000 0.292 1207 Y C 2.392 178.216 175.900 -0.127 0.000 1.136 1207 Y CA 0.078 58.165 58.100 -0.021 0.000 1.227 1207 Y CB -1.202 37.300 38.460 0.069 0.000 0.991 1207 Y HN 0.154 nan 8.280 nan 0.000 0.545 1208 E N -0.052 120.139 120.200 -0.014 0.000 2.147 1208 E HA -0.267 4.084 4.350 0.001 0.000 0.199 1208 E C 1.775 178.337 176.600 -0.063 0.000 1.005 1208 E CA 1.455 57.803 56.400 -0.087 0.000 0.810 1208 E CB -0.479 29.120 29.700 -0.168 0.000 0.736 1208 E HN 0.457 nan 8.360 nan 0.000 0.460 1209 F N -0.610 119.269 119.950 -0.119 0.000 2.236 1209 F HA -0.217 4.310 4.527 0.001 0.000 0.302 1209 F C 1.110 176.857 175.800 -0.087 0.000 1.073 1209 F CA 0.755 58.665 58.000 -0.151 0.000 1.336 1209 F CB -0.073 38.682 39.000 -0.407 0.000 1.040 1209 F HN 0.141 nan 8.300 nan 0.000 0.507 1210 Y N -0.135 120.308 120.300 0.239 0.000 2.596 1210 Y HA 0.151 4.702 4.550 0.001 0.000 0.316 1210 Y C 1.384 177.249 175.900 -0.060 0.000 1.156 1210 Y CA -0.655 57.494 58.100 0.082 0.000 1.300 1210 Y CB -0.957 37.475 38.460 -0.047 0.000 1.130 1210 Y HN 0.013 nan 8.280 nan 0.000 0.518 1211 K N -1.239 119.166 120.400 0.008 0.000 2.287 1211 K HA 0.069 4.390 4.320 0.001 0.000 0.199 1211 K C 0.444 176.869 176.600 -0.292 0.000 1.061 1211 K CA 0.754 56.882 56.287 -0.265 0.000 0.976 1211 K CB 0.180 32.338 32.500 -0.570 0.000 0.898 1211 K HN 0.325 nan 8.250 nan 0.000 0.492 1212 Y N -0.415 119.947 120.300 0.104 0.000 2.458 1212 Y HA 0.221 4.771 4.550 0.001 0.000 0.254 1212 Y C 0.330 176.322 175.900 0.152 0.000 1.120 1212 Y CA -0.399 57.767 58.100 0.111 0.000 1.282 1212 Y CB 1.118 39.636 38.460 0.097 0.000 1.109 1212 Y HN -0.297 nan 8.280 nan 0.000 0.526 1213 V N -0.869 119.249 119.914 0.340 0.000 3.087 1213 V HA 0.186 4.307 4.120 0.001 0.000 0.306 1213 V C -1.224 175.118 176.094 0.413 0.000 1.187 1213 V CA -1.368 61.134 62.300 0.336 0.000 0.999 1213 V CB 2.220 34.233 31.823 0.318 0.000 1.049 1213 V HN 0.074 nan 8.190 nan 0.000 0.431 1214 H N 2.104 121.307 119.070 0.223 0.000 2.629 1214 H HA 0.387 4.943 4.556 0.001 0.000 0.357 1214 H C 1.025 176.448 175.328 0.159 0.000 1.121 1214 H CA 0.213 56.358 56.048 0.160 0.000 1.406 1214 H CB 0.904 30.697 29.762 0.052 0.000 1.456 1214 H HN 0.550 nan 8.280 nan 0.000 0.579 1215 L N 2.034 122.859 121.223 -0.663 0.000 2.123 1215 L HA -0.273 4.067 4.340 0.001 0.000 0.217 1215 L C 1.876 178.527 176.870 -0.364 0.000 1.081 1215 L CA 1.985 56.426 54.840 -0.665 0.000 0.772 1215 L CB -0.723 40.730 42.059 -1.010 0.000 0.890 1215 L HN 0.652 nan 8.230 nan 0.000 0.437 1216 S N -1.987 113.472 115.700 -0.402 0.000 2.710 1216 S HA 0.049 4.520 4.470 0.001 0.000 0.224 1216 S C 1.026 175.634 174.600 0.013 0.000 0.948 1216 S CA -0.006 58.123 58.200 -0.117 0.000 0.949 1216 S CB 0.113 63.313 63.200 -0.000 0.000 0.778 1216 S HN 0.482 nan 8.310 nan 0.000 0.498 1217 E N 0.115 120.345 120.200 0.051 0.000 2.641 1217 E HA 0.193 4.543 4.350 0.001 0.000 0.224 1217 E C -0.895 175.715 176.600 0.018 0.000 0.951 1217 E CA -0.051 56.384 56.400 0.059 0.000 1.102 1217 E CB 1.342 31.105 29.700 0.105 0.000 1.091 1217 E HN 0.342 nan 8.360 nan 0.000 0.507 1218 V N 1.658 121.584 119.914 0.020 0.000 2.408 1218 V HA 0.422 4.542 4.120 0.001 0.000 0.267 1218 V C 0.615 176.683 176.094 -0.044 0.000 1.047 1218 V CA -0.429 61.816 62.300 -0.091 0.000 0.937 1218 V CB 0.886 32.629 31.823 -0.133 0.000 0.999 1218 V HN 0.120 nan 8.190 nan 0.000 0.472 1219 G N 2.993 111.758 108.800 -0.057 0.000 2.434 1219 G HA2 0.485 4.446 3.960 0.001 0.000 0.330 1219 G HA3 0.485 4.446 3.960 0.001 0.000 0.330 1219 G C -0.678 174.219 174.900 -0.004 0.000 1.155 1219 G CA -0.568 44.521 45.100 -0.018 0.000 0.917 1219 G HN 0.541 nan 8.290 nan 0.000 0.493 1220 N N -0.068 118.646 118.700 0.023 0.000 2.576 1220 N HA 0.234 4.974 4.740 0.001 0.000 0.269 1220 N C -0.705 174.842 175.510 0.062 0.000 1.058 1220 N CA -0.474 52.606 53.050 0.050 0.000 0.860 1220 N CB 1.348 39.874 38.487 0.065 0.000 1.249 1220 N HN 0.272 nan 8.380 nan 0.000 0.525 1221 C N 4.251 123.592 119.300 0.068 0.000 2.557 1221 C HA 0.476 4.937 4.460 0.001 0.000 0.281 1221 C C 0.727 175.769 174.990 0.086 0.000 1.490 1221 C CA -0.705 58.354 59.018 0.068 0.000 1.771 1221 C CB -1.744 26.028 27.740 0.054 0.000 2.887 1221 C HN 0.565 nan 8.230 nan 0.000 0.527 1222 I N 1.480 122.127 120.570 0.129 0.000 2.428 1222 I HA 0.534 4.704 4.170 0.001 0.000 0.289 1222 I C 0.964 177.170 176.117 0.149 0.000 1.019 1222 I CA 0.567 61.969 61.300 0.171 0.000 1.351 1222 I CB 0.924 39.090 38.000 0.277 0.000 1.412 1222 I HN 0.445 nan 8.210 nan 0.000 0.513 1223 G N 3.363 112.164 108.800 0.002 0.000 3.211 1223 G HA2 0.812 4.773 3.960 0.001 0.000 0.262 1223 G HA3 0.812 4.773 3.960 0.001 0.000 0.262 1223 G C -1.049 173.472 174.900 -0.632 0.000 1.352 1223 G CA -0.286 44.714 45.100 -0.166 0.000 1.004 1223 G HN 0.736 nan 8.290 nan 0.000 0.559 1224 S N -3.239 112.155 115.700 -0.509 0.000 2.688 1224 S HA 0.519 4.989 4.470 0.001 0.000 0.269 1224 S C 0.823 175.277 174.600 -0.244 0.000 1.060 1224 S CA 0.602 58.442 58.200 -0.600 0.000 0.844 1224 S CB 0.797 63.259 63.200 -1.231 0.000 1.095 1224 S HN 1.666 nan 8.310 nan 0.000 0.466 1225 G N 0.093 108.802 108.800 -0.151 0.000 2.395 1225 G HA2 0.382 4.343 3.960 0.001 0.000 0.214 1225 G HA3 0.382 4.343 3.960 0.001 0.000 0.214 1225 G C 0.420 175.295 174.900 -0.042 0.000 1.177 1225 G CA 0.955 46.019 45.100 -0.060 0.000 0.794 1225 G HN 1.849 nan 8.290 nan 0.000 0.532 1226 V N -1.740 118.162 119.914 -0.020 0.000 2.841 1226 V HA 0.687 4.808 4.120 0.001 0.000 0.258 1226 V C -0.041 176.100 176.094 0.080 0.000 0.973 1226 V CA -0.674 61.630 62.300 0.006 0.000 0.921 1226 V CB 0.592 32.391 31.823 -0.040 0.000 1.053 1226 V HN 0.407 nan 8.190 nan 0.000 0.498 1227 G N 1.323 110.224 108.800 0.168 0.000 2.437 1227 G HA2 0.688 4.648 3.960 0.001 0.000 0.319 1227 G HA3 0.688 4.648 3.960 0.001 0.000 0.319 1227 G C 0.848 175.889 174.900 0.234 0.000 1.158 1227 G CA -0.268 45.041 45.100 0.349 0.000 0.899 1227 G HN 2.260 nan 8.290 nan 0.000 0.502 1228 G N -0.122 108.795 108.800 0.194 0.000 2.203 1228 G HA2 -0.219 3.741 3.960 0.001 0.000 0.231 1228 G HA3 -0.219 3.741 3.960 0.001 0.000 0.231 1228 G C 0.964 175.905 174.900 0.068 0.000 1.058 1228 G CA 0.743 45.909 45.100 0.109 0.000 0.781 1228 G HN 1.043 nan 8.290 nan 0.000 0.496 1229 T N 0.180 114.778 114.554 0.073 0.000 2.881 1229 T HA -0.066 4.284 4.350 0.001 0.000 0.270 1229 T C 2.591 177.301 174.700 0.018 0.000 1.068 1229 T CA 1.873 63.991 62.100 0.031 0.000 1.131 1229 T CB -0.124 68.764 68.868 0.032 0.000 0.871 1229 T HN 0.476 nan 8.240 nan 0.000 0.479 1230 S N 1.772 117.492 115.700 0.033 0.000 2.355 1230 S HA 0.059 4.529 4.470 0.001 0.000 0.222 1230 S C 2.676 177.290 174.600 0.023 0.000 1.031 1230 S CA 0.834 59.048 58.200 0.024 0.000 0.993 1230 S CB -0.632 62.582 63.200 0.023 0.000 0.859 1230 S HN 0.612 nan 8.310 nan 0.000 0.453 1231 A N 1.634 124.470 122.820 0.027 0.000 1.933 1231 A HA 0.016 4.336 4.320 0.001 0.000 0.218 1231 A C 2.103 179.710 177.584 0.038 0.000 1.175 1231 A CA 0.962 53.016 52.037 0.027 0.000 0.628 1231 A CB -0.734 18.286 19.000 0.033 0.000 0.814 1231 A HN 0.414 nan 8.150 nan 0.000 0.444 1232 L N -0.657 120.595 121.223 0.048 0.000 1.989 1232 L HA -0.223 4.117 4.340 0.001 0.000 0.211 1232 L C 2.905 179.870 176.870 0.159 0.000 1.071 1232 L CA 2.185 57.089 54.840 0.107 0.000 0.749 1232 L CB -0.573 41.501 42.059 0.026 0.000 0.890 1232 L HN 0.598 nan 8.230 nan 0.000 0.431 1233 R N 0.316 120.853 120.500 0.062 0.000 2.083 1233 R HA -0.161 4.180 4.340 0.001 0.000 0.237 1233 R C 2.102 178.439 176.300 0.062 0.000 1.137 1233 R CA 1.734 57.863 56.100 0.048 0.000 0.951 1233 R CB -0.720 29.579 30.300 -0.002 0.000 0.851 1233 R HN 0.372 nan 8.270 nan 0.000 0.434 1234 G N 1.551 110.376 108.800 0.041 0.000 2.485 1234 G HA2 -0.307 3.654 3.960 0.001 0.000 0.221 1234 G HA3 -0.307 3.654 3.960 0.001 0.000 0.221 1234 G C 1.517 176.422 174.900 0.009 0.000 1.115 1234 G CA 1.232 46.346 45.100 0.024 0.000 0.751 1234 G HN 0.604 nan 8.290 nan 0.000 0.567 1235 M N -2.996 116.603 119.600 -0.001 0.000 2.571 1235 M HA 0.406 4.886 4.480 0.001 0.000 0.259 1235 M C 1.851 178.034 176.300 -0.196 0.000 1.205 1235 M CA 0.341 55.573 55.300 -0.112 0.000 1.138 1235 M CB 0.348 32.833 32.600 -0.192 0.000 1.329 1235 M HN 0.037 nan 8.290 nan 0.000 0.503 1236 Y N 1.130 121.402 120.300 -0.046 0.000 2.503 1236 Y HA 0.259 4.809 4.550 0.001 0.000 0.278 1236 Y C 2.422 178.291 175.900 -0.052 0.000 1.111 1236 Y CA 0.894 58.954 58.100 -0.067 0.000 1.270 1236 Y CB 0.447 38.855 38.460 -0.088 0.000 1.063 1236 Y HN 0.308 nan 8.280 nan 0.000 0.548 1237 K N -0.586 119.884 120.400 0.117 0.000 2.537 1237 K HA 0.029 4.349 4.320 0.001 0.000 0.216 1237 K C 0.993 177.659 176.600 0.111 0.000 1.349 1237 K CA 0.578 56.930 56.287 0.110 0.000 0.841 1237 K CB -0.066 32.472 32.500 0.062 0.000 1.659 1237 K HN -0.186 nan 8.250 nan 0.000 0.435 1238 D N 1.208 121.645 120.400 0.062 0.000 2.271 1238 D HA -0.166 4.474 4.640 0.001 0.000 0.207 1238 D C 1.834 178.154 176.300 0.034 0.000 0.983 1238 D CA 1.048 55.072 54.000 0.039 0.000 0.878 1238 D CB 0.086 40.900 40.800 0.023 0.000 0.920 1238 D HN 0.243 nan 8.370 nan 0.000 0.479 1239 R N -1.026 119.501 120.500 0.044 0.000 2.080 1239 R HA -0.105 4.236 4.340 0.001 0.000 0.222 1239 R C 2.178 178.518 176.300 0.067 0.000 1.107 1239 R CA 0.490 56.607 56.100 0.028 0.000 0.980 1239 R CB -0.558 29.740 30.300 -0.004 0.000 0.879 1239 R HN 0.070 nan 8.270 nan 0.000 0.439 1240 Y N 1.172 121.445 120.300 -0.045 0.000 2.193 1240 Y HA -0.159 4.391 4.550 0.001 0.000 0.285 1240 Y C 1.376 177.256 175.900 -0.034 0.000 1.166 1240 Y CA 1.634 59.710 58.100 -0.040 0.000 1.181 1240 Y CB -0.082 38.361 38.460 -0.028 0.000 0.976 1240 Y HN 0.096 nan 8.280 nan 0.000 0.520 1241 L N -0.202 120.996 121.223 -0.042 0.000 2.599 1241 L HA -0.011 4.329 4.340 0.001 0.000 0.230 1241 L C 0.679 177.489 176.870 -0.100 0.000 1.141 1241 L CA 1.036 55.802 54.840 -0.125 0.000 0.877 1241 L CB -0.356 41.681 42.059 -0.037 0.000 1.009 1241 L HN 0.108 nan 8.230 nan 0.000 0.447 1242 D N 0.601 120.957 120.400 -0.073 0.000 3.012 1242 D HA -0.179 4.462 4.640 0.001 0.000 0.222 1242 D C 0.284 176.560 176.300 -0.040 0.000 1.167 1242 D CA 0.866 54.829 54.000 -0.062 0.000 0.854 1242 D CB -0.524 40.224 40.800 -0.087 0.000 1.107 1242 D HN 0.284 nan 8.370 nan 0.000 0.421 1243 K N 0.391 120.776 120.400 -0.026 0.000 2.295 1243 K HA 0.357 4.678 4.320 0.001 0.000 0.270 1243 K C -2.317 174.276 176.600 -0.012 0.000 1.011 1243 K CA -1.351 54.927 56.287 -0.016 0.000 0.953 1243 K CB 0.288 32.784 32.500 -0.007 0.000 0.956 1243 K HN 0.036 nan 8.250 nan 0.000 0.477 1244 P HA 0.020 nan 4.420 nan 0.000 0.264 1244 P C -1.070 176.227 177.300 -0.005 0.000 1.229 1244 P CA 0.038 63.133 63.100 -0.008 0.000 0.780 1244 P CB 0.445 32.141 31.700 -0.007 0.000 0.808 1245 V N 4.109 124.020 119.914 -0.005 0.000 2.925 1245 V HA 0.202 4.323 4.120 0.001 0.000 0.311 1245 V C 0.317 176.411 176.094 -0.001 0.000 1.104 1245 V CA -0.933 61.366 62.300 -0.003 0.000 0.954 1245 V CB 2.079 33.900 31.823 -0.003 0.000 1.022 1245 V HN 0.443 nan 8.190 nan 0.000 0.427 1246 Q N 2.034 121.837 119.800 0.005 0.000 2.450 1246 Q HA 0.028 4.369 4.340 0.001 0.000 0.294 1246 Q C 0.535 176.542 176.000 0.012 0.000 1.129 1246 Q CA 0.308 56.118 55.803 0.012 0.000 0.970 1246 Q CB 0.963 29.714 28.738 0.022 0.000 1.294 1246 Q HN 0.537 nan 8.270 nan 0.000 0.453 1247 K N 0.607 121.019 120.400 0.019 0.000 2.243 1247 K HA -0.092 4.229 4.320 0.001 0.000 0.201 1247 K C 0.406 177.023 176.600 0.028 0.000 1.051 1247 K CA 1.148 57.445 56.287 0.017 0.000 0.970 1247 K CB 0.314 32.824 32.500 0.018 0.000 0.755 1247 K HN 0.604 nan 8.250 nan 0.000 0.465 1248 D N -0.130 120.297 120.400 0.046 0.000 2.424 1248 D HA 0.007 4.647 4.640 0.001 0.000 0.220 1248 D C 1.107 177.455 176.300 0.080 0.000 1.150 1248 D CA -0.120 53.922 54.000 0.070 0.000 0.831 1248 D CB -0.375 40.481 40.800 0.092 0.000 0.981 1248 D HN 0.144 nan 8.370 nan 0.000 0.500 1249 I N -0.718 119.882 120.570 0.049 0.000 2.315 1249 I HA -0.236 3.934 4.170 0.001 0.000 0.251 1249 I C 2.140 178.282 176.117 0.040 0.000 1.125 1249 I CA 0.559 61.885 61.300 0.043 0.000 1.392 1249 I CB -0.474 37.533 38.000 0.012 0.000 1.065 1249 I HN 0.040 nan 8.210 nan 0.000 0.424 1250 L N 0.834 122.075 121.223 0.030 0.000 2.013 1250 L HA -0.285 4.055 4.340 0.001 0.000 0.212 1250 L C 2.606 179.555 176.870 0.131 0.000 1.073 1250 L CA 1.932 56.780 54.840 0.015 0.000 0.753 1250 L CB -0.896 41.195 42.059 0.052 0.000 0.890 1250 L HN 0.335 nan 8.230 nan 0.000 0.432 1251 Q N -0.523 119.427 119.800 0.250 0.000 1.978 1251 Q HA -0.252 4.089 4.340 0.001 0.000 0.211 1251 Q C 1.663 177.887 176.000 0.373 0.000 1.013 1251 Q CA 2.246 58.262 55.803 0.356 0.000 0.869 1251 Q CB -0.323 28.557 28.738 0.237 0.000 0.953 1251 Q HN 0.552 nan 8.270 nan 0.000 0.415 1252 E N 0.017 120.367 120.200 0.251 0.000 2.526 1252 E HA -0.071 4.280 4.350 0.001 0.000 0.198 1252 E C 1.493 178.185 176.600 0.153 0.000 1.091 1252 E CA 0.816 57.357 56.400 0.235 0.000 0.880 1252 E CB 0.039 29.848 29.700 0.180 0.000 0.873 1252 E HN 0.350 nan 8.360 nan 0.000 0.527 1253 S N -0.659 115.082 115.700 0.068 0.000 2.511 1253 S HA 0.092 4.562 4.470 0.001 0.000 0.214 1253 S C 0.533 175.098 174.600 -0.058 0.000 0.997 1253 S CA -0.535 57.644 58.200 -0.036 0.000 0.908 1253 S CB -0.227 62.888 63.200 -0.142 0.000 0.803 1253 S HN -0.030 nan 8.310 nan 0.000 0.504 1254 F N 1.994 122.013 119.950 0.116 0.000 2.484 1254 F HA 0.309 4.837 4.527 0.001 0.000 0.360 1254 F C 1.595 177.486 175.800 0.152 0.000 1.101 1254 F CA -0.569 57.497 58.000 0.111 0.000 1.251 1254 F CB 0.846 39.896 39.000 0.084 0.000 1.132 1254 F HN -0.159 nan 8.300 nan 0.000 0.570 1255 V N 2.309 122.427 119.914 0.340 0.000 2.469 1255 V HA -0.311 3.809 4.120 0.001 0.000 0.251 1255 V C 1.993 178.299 176.094 0.353 0.000 1.064 1255 V CA 2.101 64.589 62.300 0.314 0.000 1.066 1255 V CB -0.654 31.280 31.823 0.185 0.000 0.667 1255 V HN 0.874 nan 8.190 nan 0.000 0.461 1256 N N -0.708 118.158 118.700 0.277 0.000 2.336 1256 N HA -0.056 4.684 4.740 0.001 0.000 0.189 1256 N C 1.219 176.831 175.510 0.170 0.000 1.113 1256 N CA 0.893 54.063 53.050 0.201 0.000 0.858 1256 N CB 0.162 38.714 38.487 0.108 0.000 0.970 1256 N HN 0.410 nan 8.380 nan 0.000 0.471 1257 T N 0.955 115.646 114.554 0.228 0.000 2.985 1257 T HA 0.065 4.415 4.350 0.001 0.000 0.266 1257 T C 1.771 176.620 174.700 0.249 0.000 1.076 1257 T CA 0.619 62.824 62.100 0.176 0.000 1.135 1257 T CB 0.023 69.053 68.868 0.270 0.000 0.890 1257 T HN 0.060 nan 8.240 nan 0.000 0.480 1258 M N 1.948 121.706 119.600 0.264 0.000 2.065 1258 M HA 0.046 4.526 4.480 0.001 0.000 0.259 1258 M C 2.740 179.175 176.300 0.225 0.000 1.071 1258 M CA 1.719 57.135 55.300 0.192 0.000 1.109 1258 M CB -1.198 31.358 32.600 -0.074 0.000 1.313 1258 M HN 0.270 nan 8.290 nan 0.000 0.408 1259 A N 0.044 123.001 122.820 0.228 0.000 1.903 1259 A HA -0.184 4.136 4.320 0.001 0.000 0.219 1259 A C 2.437 180.104 177.584 0.138 0.000 1.191 1259 A CA 2.736 54.885 52.037 0.187 0.000 0.638 1259 A CB -1.473 17.627 19.000 0.167 0.000 0.823 1259 A HN 0.543 nan 8.150 nan 0.000 0.451 1260 A N -1.600 121.266 122.820 0.076 0.000 1.873 1260 A HA -0.220 4.100 4.320 0.001 0.000 0.218 1260 A C 2.031 179.605 177.584 -0.017 0.000 1.193 1260 A CA 1.540 53.555 52.037 -0.037 0.000 0.629 1260 A CB -1.106 17.788 19.000 -0.176 0.000 0.826 1260 A HN 0.774 nan 8.150 nan 0.000 0.447 1261 W N -0.397 120.953 121.300 0.083 0.000 2.350 1261 W HA -0.135 4.526 4.660 0.001 0.000 0.289 1261 W C 2.262 178.851 176.519 0.117 0.000 1.215 1261 W CA 1.094 58.491 57.345 0.087 0.000 1.236 1261 W CB -0.278 29.219 29.460 0.062 0.000 1.130 1261 W HN 0.162 nan 8.180 nan 0.000 0.541 1262 V N 0.157 120.277 119.914 0.344 0.000 2.295 1262 V HA -0.351 3.769 4.120 0.001 0.000 0.246 1262 V C 1.771 177.996 176.094 0.219 0.000 1.049 1262 V CA 2.360 64.823 62.300 0.271 0.000 1.024 1262 V CB -0.983 30.969 31.823 0.215 0.000 0.648 1262 V HN 0.228 nan 8.190 nan 0.000 0.447 1263 N N -0.579 118.224 118.700 0.172 0.000 2.331 1263 N HA -0.060 4.680 4.740 0.001 0.000 0.180 1263 N C 1.649 177.250 175.510 0.152 0.000 1.019 1263 N CA 1.013 54.150 53.050 0.145 0.000 0.881 1263 N CB -0.105 38.442 38.487 0.101 0.000 0.972 1263 N HN 0.434 nan 8.380 nan 0.000 0.435 1264 M N -0.731 118.958 119.600 0.149 0.000 2.595 1264 M HA 0.091 4.571 4.480 0.001 0.000 0.248 1264 M C 0.801 177.243 176.300 0.236 0.000 1.119 1264 M CA 0.666 56.053 55.300 0.145 0.000 1.079 1264 M CB 0.431 33.043 32.600 0.020 0.000 1.472 1264 M HN 0.156 nan 8.290 nan 0.000 0.501 1265 L N -1.621 119.764 121.223 0.269 0.000 2.803 1265 L HA 0.230 4.570 4.340 0.001 0.000 0.246 1265 L C 1.355 178.303 176.870 0.130 0.000 1.100 1265 L CA 0.049 55.048 54.840 0.266 0.000 0.919 1265 L CB 0.524 42.831 42.059 0.413 0.000 1.285 1265 L HN 0.255 nan 8.230 nan 0.000 0.522 1266 L N -1.241 120.051 121.223 0.114 0.000 3.147 1266 L HA 0.242 4.582 4.340 0.001 0.000 0.166 1266 L C 0.052 176.976 176.870 0.091 0.000 1.146 1266 L CA -0.317 54.530 54.840 0.012 0.000 0.858 1266 L CB 0.218 42.274 42.059 -0.004 0.000 1.500 1266 L HN -0.108 nan 8.230 nan 0.000 0.547 1267 L N 1.766 123.089 121.223 0.166 0.000 2.342 1267 L HA 0.208 4.549 4.340 0.001 0.000 0.285 1267 L C 0.349 177.416 176.870 0.329 0.000 1.095 1267 L CA -0.244 54.758 54.840 0.269 0.000 0.843 1267 L CB 0.546 42.711 42.059 0.177 0.000 1.201 1267 L HN 0.226 nan 8.230 nan 0.000 0.445 1268 S N 0.166 116.153 115.700 0.478 0.000 2.994 1268 S HA 0.118 4.588 4.470 0.001 0.000 0.247 1268 S C 0.591 175.325 174.600 0.223 0.000 1.323 1268 S CA -0.722 57.674 58.200 0.326 0.000 1.246 1268 S CB -0.568 62.808 63.200 0.295 0.000 0.994 1268 S HN 0.701 nan 8.310 nan 0.000 0.484 1269 S N 0.994 116.829 115.700 0.225 0.000 2.586 1269 S HA 0.336 4.807 4.470 0.001 0.000 0.274 1269 S C 0.831 175.413 174.600 -0.030 0.000 1.281 1269 S CA -0.169 58.094 58.200 0.106 0.000 1.035 1269 S CB 1.076 64.390 63.200 0.190 0.000 0.962 1269 S HN 0.537 nan 8.310 nan 0.000 0.512 1270 T N 0.591 115.026 114.554 -0.198 0.000 3.278 1270 T HA 0.380 4.730 4.350 0.001 0.000 0.251 1270 T C 0.930 175.565 174.700 -0.108 0.000 1.039 1270 T CA -0.159 61.822 62.100 -0.199 0.000 0.935 1270 T CB -0.896 67.701 68.868 -0.453 0.000 1.034 1270 T HN 0.847 nan 8.240 nan 0.000 0.575 1271 G N 2.292 111.061 108.800 -0.053 0.000 2.583 1271 G HA2 0.490 4.450 3.960 0.001 0.000 0.275 1271 G HA3 0.490 4.450 3.960 0.001 0.000 0.275 1271 G C -2.514 172.381 174.900 -0.008 0.000 1.342 1271 G CA -1.180 43.907 45.100 -0.021 0.000 1.030 1271 G HN 0.360 nan 8.290 nan 0.000 0.520 1272 P HA 0.469 nan 4.420 nan 0.000 0.278 1272 P C -0.619 176.690 177.300 0.014 0.000 1.266 1272 P CA -0.417 62.686 63.100 0.005 0.000 0.807 1272 P CB 0.958 32.660 31.700 0.004 0.000 1.094 1273 I N -0.950 119.631 120.570 0.017 0.000 2.649 1273 I HA 0.359 4.529 4.170 0.001 0.000 0.275 1273 I C -0.429 175.704 176.117 0.027 0.000 1.180 1273 I CA -0.446 60.870 61.300 0.028 0.000 1.049 1273 I CB 1.176 39.192 38.000 0.027 0.000 1.234 1273 I HN -0.043 nan 8.210 nan 0.000 0.506 1274 K N 3.856 124.274 120.400 0.030 0.000 2.292 1274 K HA 0.532 4.853 4.320 0.001 0.000 0.270 1274 K C -0.195 176.429 176.600 0.039 0.000 1.062 1274 K CA -0.353 55.951 56.287 0.029 0.000 0.916 1274 K CB 1.379 33.894 32.500 0.024 0.000 1.166 1274 K HN 0.615 nan 8.250 nan 0.000 0.458 1275 T N 1.304 115.884 114.554 0.044 0.000 2.779 1275 T HA 0.597 4.948 4.350 0.001 0.000 0.280 1275 T C -2.480 172.242 174.700 0.036 0.000 0.987 1275 T CA -2.015 60.117 62.100 0.054 0.000 0.966 1275 T CB 1.416 70.335 68.868 0.084 0.000 0.933 1275 T HN 0.202 nan 8.240 nan 0.000 0.442 1276 P HA 0.629 nan 4.420 nan 0.000 0.298 1276 P C -1.209 176.077 177.300 -0.023 0.000 1.334 1276 P CA -0.977 62.123 63.100 -0.001 0.000 0.942 1276 P CB 1.794 33.490 31.700 -0.007 0.000 1.162 1277 V N 1.903 121.809 119.914 -0.013 0.000 2.276 1277 V HA 0.461 4.581 4.120 0.001 0.000 0.268 1277 V C 0.982 177.070 176.094 -0.009 0.000 1.032 1277 V CA -0.188 62.099 62.300 -0.021 0.000 0.810 1277 V CB 0.901 32.723 31.823 -0.002 0.000 1.060 1277 V HN 0.870 nan 8.190 nan 0.000 0.446 1278 G N 2.538 111.327 108.800 -0.018 0.000 4.098 1278 G HA2 0.556 4.516 3.960 0.001 0.000 0.300 1278 G HA3 0.556 4.516 3.960 0.001 0.000 0.300 1278 G C 0.824 175.739 174.900 0.026 0.000 1.187 1278 G CA 0.664 45.763 45.100 -0.001 0.000 0.964 1278 G HN 1.085 nan 8.290 nan 0.000 0.559 1279 A N -0.380 122.462 122.820 0.036 0.000 5.476 1279 A HA -0.366 3.954 4.320 0.001 0.000 0.327 1279 A C 2.241 179.884 177.584 0.099 0.000 1.778 1279 A CA 1.507 53.592 52.037 0.080 0.000 0.721 1279 A CB -1.559 17.550 19.000 0.181 0.000 1.388 1279 A HN 0.977 nan 8.150 nan 0.000 0.397 1280 C N -0.382 119.042 119.300 0.207 0.000 2.400 1280 C HA 0.175 4.635 4.460 0.001 0.000 0.291 1280 C C 2.666 177.739 174.990 0.138 0.000 1.372 1280 C CA 1.574 60.751 59.018 0.265 0.000 1.800 1280 C CB -1.977 26.039 27.740 0.460 0.000 1.869 1280 C HN 1.470 nan 8.230 nan 0.000 0.533 1281 A N 0.448 123.288 122.820 0.034 0.000 2.430 1281 A HA 0.163 4.483 4.320 0.001 0.000 0.243 1281 A C 1.980 179.529 177.584 -0.059 0.000 1.254 1281 A CA 0.930 52.929 52.037 -0.063 0.000 0.914 1281 A CB -0.571 18.347 19.000 -0.137 0.000 0.998 1281 A HN 0.603 nan 8.150 nan 0.000 0.515 1282 T N -1.544 112.985 114.554 -0.043 0.000 2.665 1282 T HA -0.218 4.132 4.350 0.001 0.000 0.268 1282 T C 1.942 176.606 174.700 -0.059 0.000 1.035 1282 T CA 1.961 64.024 62.100 -0.061 0.000 1.151 1282 T CB -0.716 68.093 68.868 -0.098 0.000 0.862 1282 T HN 0.676 nan 8.240 nan 0.000 0.438 1283 A N 0.858 123.642 122.820 -0.060 0.000 1.948 1283 A HA 0.016 4.337 4.320 0.001 0.000 0.220 1283 A C 2.662 180.232 177.584 -0.025 0.000 1.177 1283 A CA 1.970 53.985 52.037 -0.037 0.000 0.636 1283 A CB -1.062 17.916 19.000 -0.037 0.000 0.815 1283 A HN 0.493 nan 8.150 nan 0.000 0.449 1284 V N -0.389 119.497 119.914 -0.046 0.000 2.302 1284 V HA -0.203 3.917 4.120 0.001 0.000 0.243 1284 V C 2.453 178.515 176.094 -0.054 0.000 1.036 1284 V CA 1.890 64.156 62.300 -0.057 0.000 1.020 1284 V CB -0.751 31.013 31.823 -0.099 0.000 0.657 1284 V HN 0.775 nan 8.190 nan 0.000 0.453 1285 E N 0.252 120.416 120.200 -0.061 0.000 2.147 1285 E HA -0.318 4.033 4.350 0.001 0.000 0.199 1285 E C 2.344 178.935 176.600 -0.016 0.000 1.005 1285 E CA 1.765 58.139 56.400 -0.044 0.000 0.810 1285 E CB -0.180 29.495 29.700 -0.042 0.000 0.736 1285 E HN 0.532 nan 8.360 nan 0.000 0.460 1286 S N -0.037 115.656 115.700 -0.012 0.000 2.348 1286 S HA -0.189 4.282 4.470 0.001 0.000 0.221 1286 S C 2.007 176.626 174.600 0.031 0.000 1.033 1286 S CA 1.270 59.477 58.200 0.012 0.000 1.010 1286 S CB -0.401 62.806 63.200 0.013 0.000 0.891 1286 S HN 0.381 nan 8.310 nan 0.000 0.442 1287 L N 2.548 123.785 121.223 0.023 0.000 2.013 1287 L HA -0.135 4.205 4.340 0.001 0.000 0.212 1287 L C 2.257 179.161 176.870 0.057 0.000 1.073 1287 L CA 2.710 57.572 54.840 0.037 0.000 0.753 1287 L CB -1.042 41.021 42.059 0.007 0.000 0.890 1287 L HN 0.471 nan 8.230 nan 0.000 0.432 1288 D N -0.850 119.561 120.400 0.019 0.000 2.092 1288 D HA -0.192 4.448 4.640 0.001 0.000 0.193 1288 D C 2.067 178.444 176.300 0.127 0.000 0.994 1288 D CA 2.117 56.145 54.000 0.046 0.000 0.828 1288 D CB -0.099 40.699 40.800 -0.003 0.000 0.963 1288 D HN 0.264 nan 8.370 nan 0.000 0.450 1289 V N 1.109 121.068 119.914 0.075 0.000 2.287 1289 V HA -0.212 3.908 4.120 0.001 0.000 0.248 1289 V C 2.745 178.887 176.094 0.081 0.000 1.053 1289 V CA 2.209 64.550 62.300 0.068 0.000 1.027 1289 V CB -1.138 30.710 31.823 0.042 0.000 0.646 1289 V HN 0.418 nan 8.190 nan 0.000 0.447 1290 G N -1.820 107.032 108.800 0.087 0.000 2.418 1290 G HA2 -0.339 3.622 3.960 0.001 0.000 0.217 1290 G HA3 -0.339 3.622 3.960 0.001 0.000 0.217 1290 G C 1.481 176.441 174.900 0.101 0.000 1.158 1290 G CA 1.179 46.326 45.100 0.079 0.000 0.771 1290 G HN 0.568 nan 8.290 nan 0.000 0.545 1291 Y N 1.956 122.264 120.300 0.013 0.000 2.049 1291 Y HA -0.205 4.345 4.550 0.001 0.000 0.277 1291 Y C 2.557 178.464 175.900 0.011 0.000 1.143 1291 Y CA 2.317 60.427 58.100 0.017 0.000 1.115 1291 Y CB -0.378 38.094 38.460 0.020 0.000 0.975 1291 Y HN 0.199 nan 8.280 nan 0.000 0.487 1292 D N -0.613 119.828 120.400 0.069 0.000 2.116 1292 D HA -0.200 4.441 4.640 0.001 0.000 0.193 1292 D C 2.215 178.463 176.300 -0.087 0.000 0.998 1292 D CA 2.193 56.164 54.000 -0.050 0.000 0.836 1292 D CB -0.812 40.021 40.800 0.055 0.000 0.951 1292 D HN 0.403 nan 8.370 nan 0.000 0.449 1293 T N 0.775 115.312 114.554 -0.030 0.000 2.699 1293 T HA -0.134 4.217 4.350 0.001 0.000 0.268 1293 T C 2.089 176.757 174.700 -0.055 0.000 1.036 1293 T CA 0.704 62.786 62.100 -0.029 0.000 1.147 1293 T CB -0.227 68.640 68.868 -0.002 0.000 0.862 1293 T HN 0.170 nan 8.240 nan 0.000 0.446 1294 I N 0.583 121.109 120.570 -0.073 0.000 2.252 1294 I HA -0.079 4.092 4.170 0.001 0.000 0.245 1294 I C 2.042 178.086 176.117 -0.121 0.000 1.102 1294 I CA 1.153 62.405 61.300 -0.080 0.000 1.385 1294 I CB -0.299 37.662 38.000 -0.064 0.000 1.064 1294 I HN 0.288 nan 8.210 nan 0.000 0.414 1295 M N 0.018 119.493 119.600 -0.209 0.000 2.691 1295 M HA -0.052 4.429 4.480 0.001 0.000 0.227 1295 M C 0.892 177.102 176.300 -0.150 0.000 1.120 1295 M CA 0.820 55.989 55.300 -0.219 0.000 1.034 1295 M CB -0.064 32.314 32.600 -0.371 0.000 1.675 1295 M HN 0.287 nan 8.290 nan 0.000 0.514 1296 Q N -0.653 119.082 119.800 -0.109 0.000 2.139 1296 Q HA 0.218 4.558 4.340 0.001 0.000 0.219 1296 Q C 1.086 177.052 176.000 -0.057 0.000 0.805 1296 Q CA 0.351 56.106 55.803 -0.080 0.000 1.024 1296 Q CB 1.512 30.209 28.738 -0.068 0.000 1.163 1296 Q HN 0.691 nan 8.270 nan 0.000 0.485 1297 G N 1.563 110.332 108.800 -0.053 0.000 2.199 1297 G HA2 -0.301 3.659 3.960 0.001 0.000 0.254 1297 G HA3 -0.301 3.659 3.960 0.001 0.000 0.254 1297 G C 1.131 176.021 174.900 -0.017 0.000 0.982 1297 G CA 0.544 45.625 45.100 -0.032 0.000 0.632 1297 G HN 0.207 nan 8.290 nan 0.000 0.529 1298 K N 0.285 120.673 120.400 -0.022 0.000 2.097 1298 K HA 0.319 4.640 4.320 0.001 0.000 0.206 1298 K C 1.241 177.840 176.600 -0.001 0.000 1.049 1298 K CA 1.613 57.894 56.287 -0.010 0.000 0.933 1298 K CB -0.071 32.421 32.500 -0.014 0.000 0.717 1298 K HN 1.280 nan 8.250 nan 0.000 0.442 1299 A N 0.027 122.844 122.820 -0.006 0.000 2.609 1299 A HA 0.574 4.895 4.320 0.001 0.000 0.291 1299 A C 0.070 177.654 177.584 0.000 0.000 1.096 1299 A CA -0.694 51.344 52.037 0.001 0.000 0.684 1299 A CB 1.381 20.375 19.000 -0.011 0.000 1.282 1299 A HN 0.037 nan 8.150 nan 0.000 0.412 1300 R N -0.553 119.954 120.500 0.011 0.000 2.257 1300 R HA 0.324 4.665 4.340 0.001 0.000 0.195 1300 R C 0.210 176.514 176.300 0.007 0.000 0.921 1300 R CA 0.616 56.728 56.100 0.020 0.000 1.069 1300 R CB 0.965 31.298 30.300 0.055 0.000 1.115 1300 R HN 0.496 nan 8.270 nan 0.000 0.571 1301 V N -0.483 119.405 119.914 -0.044 0.000 2.994 1301 V HA 0.567 4.688 4.120 0.001 0.000 0.318 1301 V C -1.350 174.665 176.094 -0.132 0.000 1.085 1301 V CA -0.529 61.700 62.300 -0.118 0.000 0.998 1301 V CB 2.078 33.688 31.823 -0.355 0.000 1.063 1301 V HN 0.273 nan 8.190 nan 0.000 0.447 1302 C N 5.026 124.256 119.300 -0.117 0.000 3.135 1302 C HA 0.384 4.845 4.460 0.001 0.000 0.428 1302 C C -0.956 174.023 174.990 -0.019 0.000 0.972 1302 C CA -0.986 57.997 59.018 -0.058 0.000 1.218 1302 C CB 0.134 27.868 27.740 -0.010 0.000 1.595 1302 C HN 0.957 nan 8.230 nan 0.000 0.576 1303 L N 5.182 126.402 121.223 -0.006 0.000 2.371 1303 L HA 0.753 5.094 4.340 0.001 0.000 0.272 1303 L C -0.091 176.819 176.870 0.067 0.000 1.124 1303 L CA -0.062 54.804 54.840 0.044 0.000 0.816 1303 L CB 1.376 43.473 42.059 0.064 0.000 1.129 1303 L HN 0.454 nan 8.230 nan 0.000 0.448 1304 V N 1.636 121.600 119.914 0.083 0.000 3.049 1304 V HA 0.950 5.070 4.120 0.001 0.000 0.309 1304 V C 0.089 176.245 176.094 0.103 0.000 1.148 1304 V CA -0.146 62.205 62.300 0.086 0.000 0.990 1304 V CB 2.034 33.900 31.823 0.072 0.000 1.039 1304 V HN 0.999 nan 8.190 nan 0.000 0.430 1305 G N 1.661 110.521 108.800 0.101 0.000 2.333 1305 G HA2 0.611 4.572 3.960 0.001 0.000 0.288 1305 G HA3 0.611 4.572 3.960 0.001 0.000 0.288 1305 G C -0.678 174.273 174.900 0.086 0.000 1.286 1305 G CA 0.223 45.391 45.100 0.114 0.000 0.865 1305 G HN 1.375 nan 8.290 nan 0.000 0.506 1306 G N -1.409 107.444 108.800 0.089 0.000 2.690 1306 G HA2 1.030 4.990 3.960 0.001 0.000 0.291 1306 G HA3 1.030 4.990 3.960 0.001 0.000 0.291 1306 G C -1.100 173.852 174.900 0.086 0.000 1.403 1306 G CA 0.026 45.108 45.100 -0.030 0.000 0.864 1306 G HN 1.794 nan 8.290 nan 0.000 0.480 1307 F N -1.296 118.681 119.950 0.045 0.000 2.741 1307 F HA 0.879 5.406 4.527 0.001 0.000 0.313 1307 F C -1.585 174.256 175.800 0.067 0.000 1.153 1307 F CA -1.127 56.913 58.000 0.067 0.000 0.931 1307 F CB 2.284 41.372 39.000 0.147 0.000 1.335 1307 F HN 0.534 nan 8.300 nan 0.000 0.460 1308 D N 0.007 120.643 120.400 0.394 0.000 2.912 1308 D HA 0.271 4.911 4.640 0.001 0.000 0.263 1308 D C -2.182 174.309 176.300 0.319 0.000 1.152 1308 D CA -0.270 53.914 54.000 0.308 0.000 0.728 1308 D CB 2.204 43.079 40.800 0.126 0.000 1.337 1308 D HN 0.721 nan 8.370 nan 0.000 0.435 1309 D N -0.299 120.292 120.400 0.317 0.000 2.449 1309 D HA 0.535 5.176 4.640 0.001 0.000 0.250 1309 D C -1.136 175.386 176.300 0.370 0.000 1.050 1309 D CA -0.459 53.762 54.000 0.369 0.000 1.024 1309 D CB 1.223 42.237 40.800 0.356 0.000 1.218 1309 D HN 0.154 nan 8.370 nan 0.000 0.566 1310 F N 1.500 121.630 119.950 0.300 0.000 2.415 1310 F HA 0.420 4.947 4.527 0.001 0.000 0.348 1310 F C -0.548 175.377 175.800 0.208 0.000 1.119 1310 F CA -0.162 57.989 58.000 0.251 0.000 1.069 1310 F CB 0.818 39.987 39.000 0.283 0.000 1.124 1310 F HN 0.042 nan 8.300 nan 0.000 0.472 1311 Q N 4.771 124.092 119.800 -0.798 0.000 2.345 1311 Q HA 0.090 4.431 4.340 0.001 0.000 0.275 1311 Q C 0.584 176.024 176.000 -0.934 0.000 1.063 1311 Q CA -0.510 54.914 55.803 -0.631 0.000 0.819 1311 Q CB 2.222 30.801 28.738 -0.264 0.000 1.356 1311 Q HN 0.937 nan 8.270 nan 0.000 0.418 1312 E N 1.994 121.638 120.200 -0.927 0.000 2.097 1312 E HA -0.252 4.099 4.350 0.001 0.000 0.196 1312 E C 0.644 176.913 176.600 -0.553 0.000 1.000 1312 E CA 1.863 57.593 56.400 -1.117 0.000 0.804 1312 E CB 0.456 29.560 29.700 -0.993 0.000 0.740 1312 E HN 0.534 nan 8.360 nan 0.000 0.454 1313 E N -0.336 119.625 120.200 -0.398 0.000 2.112 1313 E HA -0.080 4.270 4.350 0.001 0.000 0.190 1313 E C 2.172 178.641 176.600 -0.217 0.000 0.979 1313 E CA 0.899 57.139 56.400 -0.266 0.000 0.814 1313 E CB -0.337 29.226 29.700 -0.228 0.000 0.762 1313 E HN 0.413 nan 8.360 nan 0.000 0.460 1314 G N 1.559 110.203 108.800 -0.261 0.000 2.434 1314 G HA2 -0.298 3.662 3.960 0.001 0.000 0.214 1314 G HA3 -0.298 3.662 3.960 0.001 0.000 0.214 1314 G C 1.749 176.598 174.900 -0.085 0.000 1.202 1314 G CA 1.075 46.039 45.100 -0.227 0.000 0.788 1314 G HN 0.337 nan 8.290 nan 0.000 0.539 1315 S N -0.637 115.025 115.700 -0.064 0.000 2.374 1315 S HA -0.228 4.242 4.470 0.001 0.000 0.227 1315 S C 2.099 176.933 174.600 0.391 0.000 1.037 1315 S CA 1.821 60.159 58.200 0.230 0.000 1.024 1315 S CB -0.483 62.828 63.200 0.185 0.000 0.861 1315 S HN 0.483 nan 8.310 nan 0.000 0.456 1316 Y N 1.488 121.844 120.300 0.094 0.000 2.224 1316 Y HA -0.071 4.480 4.550 0.001 0.000 0.289 1316 Y C 2.422 178.323 175.900 0.001 0.000 1.146 1316 Y CA 2.075 60.133 58.100 -0.071 0.000 1.182 1316 Y CB -0.259 37.935 38.460 -0.443 0.000 0.983 1316 Y HN 0.247 nan 8.280 nan 0.000 0.524 1317 E N -0.126 120.110 120.200 0.059 0.000 2.072 1317 E HA -0.164 4.187 4.350 0.001 0.000 0.191 1317 E C 1.990 178.550 176.600 -0.067 0.000 0.985 1317 E CA 1.481 57.840 56.400 -0.068 0.000 0.801 1317 E CB -0.704 28.859 29.700 -0.228 0.000 0.750 1317 E HN 0.562 nan 8.360 nan 0.000 0.452 1318 F N 0.254 120.221 119.950 0.028 0.000 2.171 1318 F HA -0.198 4.330 4.527 0.001 0.000 0.300 1318 F C 2.267 178.080 175.800 0.022 0.000 1.090 1318 F CA 0.761 58.788 58.000 0.045 0.000 1.293 1318 F CB -0.238 38.793 39.000 0.052 0.000 1.013 1318 F HN 0.091 nan 8.300 nan 0.000 0.486 1319 A N 0.443 123.389 122.820 0.209 0.000 1.908 1319 A HA -0.271 4.049 4.320 0.001 0.000 0.218 1319 A C 1.802 179.407 177.584 0.035 0.000 1.181 1319 A CA 2.301 54.396 52.037 0.097 0.000 0.627 1319 A CB -1.019 18.087 19.000 0.177 0.000 0.818 1319 A HN 0.429 nan 8.150 nan 0.000 0.445 1320 N N -0.573 118.118 118.700 -0.014 0.000 2.223 1320 N HA -0.078 4.662 4.740 0.001 0.000 0.185 1320 N C 1.718 177.252 175.510 0.040 0.000 1.016 1320 N CA 1.731 54.768 53.050 -0.022 0.000 0.863 1320 N CB -0.253 38.208 38.487 -0.043 0.000 0.983 1320 N HN 0.538 nan 8.380 nan 0.000 0.429 1321 M N -1.901 117.757 119.600 0.096 0.000 2.288 1321 M HA 0.161 4.641 4.480 0.001 0.000 0.266 1321 M C 1.146 177.533 176.300 0.144 0.000 1.072 1321 M CA 1.030 56.420 55.300 0.150 0.000 1.132 1321 M CB 0.196 32.953 32.600 0.262 0.000 1.386 1321 M HN 0.287 nan 8.290 nan 0.000 0.432 1322 G N -0.135 108.743 108.800 0.129 0.000 2.138 1322 G HA2 -0.161 3.799 3.960 0.001 0.000 0.193 1322 G HA3 -0.161 3.799 3.960 0.001 0.000 0.193 1322 G C 0.779 175.733 174.900 0.091 0.000 0.998 1322 G CA 0.316 45.463 45.100 0.079 0.000 0.668 1322 G HN 0.509 nan 8.290 nan 0.000 0.516 1323 A N -0.234 122.684 122.820 0.165 0.000 1.903 1323 A HA 0.456 4.776 4.320 0.001 0.000 0.213 1323 A C 1.814 179.310 177.584 -0.146 0.000 1.185 1323 A CA 2.210 54.378 52.037 0.218 0.000 0.628 1323 A CB -0.546 18.808 19.000 0.589 0.000 0.830 1323 A HN 1.482 nan 8.150 nan 0.000 0.446 1324 T N -0.138 114.168 114.554 -0.413 0.000 2.788 1324 T HA 0.441 4.792 4.350 0.001 0.000 0.287 1324 T C 0.319 174.819 174.700 -0.332 0.000 1.007 1324 T CA 0.030 61.713 62.100 -0.694 0.000 1.005 1324 T CB 0.951 69.479 68.868 -0.567 0.000 1.012 1324 T HN 0.536 nan 8.240 nan 0.000 0.530 1325 S N 1.034 116.548 115.700 -0.310 0.000 2.480 1325 S HA 0.276 4.746 4.470 0.001 0.000 0.286 1325 S C -0.007 174.481 174.600 -0.186 0.000 1.180 1325 S CA -1.062 57.023 58.200 -0.192 0.000 1.075 1325 S CB 0.539 63.642 63.200 -0.161 0.000 0.996 1325 S HN 0.715 nan 8.310 nan 0.000 0.487 1326 N N 2.302 120.913 118.700 -0.149 0.000 2.406 1326 N HA 0.156 4.896 4.740 0.001 0.000 0.269 1326 N C 1.251 176.689 175.510 -0.120 0.000 1.210 1326 N CA 0.180 53.145 53.050 -0.142 0.000 0.966 1326 N CB 0.733 39.158 38.487 -0.103 0.000 1.293 1326 N HN 0.797 nan 8.380 nan 0.000 0.491 1327 A N 4.938 127.685 122.820 -0.121 0.000 1.892 1327 A HA -0.204 4.116 4.320 0.001 0.000 0.218 1327 A C 2.130 179.788 177.584 0.124 0.000 1.188 1327 A CA 1.476 53.477 52.037 -0.060 0.000 0.631 1327 A CB -0.313 18.707 19.000 0.034 0.000 0.822 1327 A HN 0.730 nan 8.150 nan 0.000 0.447 1328 K N -0.615 119.855 120.400 0.116 0.000 2.063 1328 K HA -0.176 4.145 4.320 0.001 0.000 0.208 1328 K C 2.059 178.713 176.600 0.090 0.000 1.048 1328 K CA 1.780 58.149 56.287 0.137 0.000 0.928 1328 K CB -0.148 32.365 32.500 0.021 0.000 0.713 1328 K HN 0.655 nan 8.250 nan 0.000 0.442 1329 E N 0.090 120.295 120.200 0.007 0.000 2.107 1329 E HA -0.152 4.198 4.350 0.001 0.000 0.191 1329 E C 1.861 178.433 176.600 -0.048 0.000 0.982 1329 E CA 0.762 57.145 56.400 -0.028 0.000 0.809 1329 E CB 0.148 29.818 29.700 -0.051 0.000 0.756 1329 E HN 0.307 nan 8.360 nan 0.000 0.459 1330 E N -0.077 120.071 120.200 -0.086 0.000 2.208 1330 E HA -0.112 4.238 4.350 0.001 0.000 0.193 1330 E C 1.706 178.201 176.600 -0.175 0.000 0.988 1330 E CA 0.492 56.797 56.400 -0.158 0.000 0.828 1330 E CB -0.016 29.543 29.700 -0.234 0.000 0.763 1330 E HN 0.249 nan 8.360 nan 0.000 0.478 1331 F N 0.803 120.700 119.950 -0.088 0.000 2.234 1331 F HA -0.119 4.408 4.527 0.001 0.000 0.299 1331 F C 2.359 178.087 175.800 -0.120 0.000 1.087 1331 F CA 0.781 58.725 58.000 -0.093 0.000 1.340 1331 F CB -0.004 38.944 39.000 -0.088 0.000 1.031 1331 F HN 0.012 nan 8.300 nan 0.000 0.500 1332 A N -0.169 122.684 122.820 0.055 0.000 2.168 1332 A HA -0.071 4.249 4.320 0.001 0.000 0.215 1332 A C 1.951 179.464 177.584 -0.117 0.000 1.152 1332 A CA 0.801 52.811 52.037 -0.045 0.000 0.716 1332 A CB -0.444 18.523 19.000 -0.055 0.000 0.794 1332 A HN 0.315 nan 8.150 nan 0.000 0.465 1333 R N -1.426 119.005 120.500 -0.115 0.000 2.359 1333 R HA 0.228 4.569 4.340 0.001 0.000 0.231 1333 R C 1.124 177.313 176.300 -0.185 0.000 0.913 1333 R CA 0.496 56.506 56.100 -0.150 0.000 1.075 1333 R CB 0.129 30.361 30.300 -0.112 0.000 1.087 1333 R HN 0.602 nan 8.270 nan 0.000 0.515 1334 G N 1.783 110.462 108.800 -0.201 0.000 2.143 1334 G HA2 -0.257 3.703 3.960 0.001 0.000 0.249 1334 G HA3 -0.257 3.703 3.960 0.001 0.000 0.249 1334 G C 0.091 174.981 174.900 -0.017 0.000 0.981 1334 G CA -0.188 44.756 45.100 -0.260 0.000 0.665 1334 G HN 0.090 nan 8.290 nan 0.000 0.528 1335 R N 0.761 121.225 120.500 -0.061 0.000 2.615 1335 R HA 0.508 4.848 4.340 0.001 0.000 0.270 1335 R C 0.574 176.792 176.300 -0.136 0.000 1.081 1335 R CA -0.003 56.046 56.100 -0.085 0.000 1.154 1335 R CB 0.403 30.594 30.300 -0.182 0.000 1.063 1335 R HN 0.607 nan 8.270 nan 0.000 0.519 1336 E N 1.847 121.988 120.200 -0.099 0.000 2.221 1336 E HA 0.335 4.686 4.350 0.001 0.000 0.268 1336 E C -2.343 174.158 176.600 -0.165 0.000 0.933 1336 E CA -2.115 54.238 56.400 -0.078 0.000 0.809 1336 E CB 1.408 31.126 29.700 0.029 0.000 1.190 1336 E HN 0.181 nan 8.360 nan 0.000 0.406 1337 P HA -0.015 nan 4.420 nan 0.000 0.261 1337 P C 0.478 177.760 177.300 -0.030 0.000 1.203 1337 P CA 0.970 64.008 63.100 -0.103 0.000 0.767 1337 P CB 0.360 32.064 31.700 0.006 0.000 0.785 1338 G N 3.579 112.367 108.800 -0.021 0.000 2.561 1338 G HA2 -0.252 3.708 3.960 0.001 0.000 0.203 1338 G HA3 -0.252 3.708 3.960 0.001 0.000 0.203 1338 G C 1.095 176.034 174.900 0.065 0.000 1.101 1338 G CA 0.129 45.263 45.100 0.056 0.000 0.711 1338 G HN 0.518 nan 8.290 nan 0.000 0.511 1339 E N 0.698 120.913 120.200 0.025 0.000 2.515 1339 E HA 0.084 4.435 4.350 0.001 0.000 0.201 1339 E C 2.393 178.983 176.600 -0.016 0.000 1.071 1339 E CA 0.717 57.127 56.400 0.018 0.000 0.880 1339 E CB -0.243 29.465 29.700 0.014 0.000 0.828 1339 E HN 0.554 nan 8.360 nan 0.000 0.540 1340 M N -0.098 119.474 119.600 -0.046 0.000 2.254 1340 M HA -0.026 4.454 4.480 0.001 0.000 0.265 1340 M C 1.319 177.599 176.300 -0.034 0.000 1.066 1340 M CA 0.630 55.876 55.300 -0.089 0.000 1.123 1340 M CB -0.173 32.344 32.600 -0.138 0.000 1.388 1340 M HN -0.068 nan 8.290 nan 0.000 0.425 1341 S N 2.229 117.944 115.700 0.026 0.000 2.474 1341 S HA 0.368 4.839 4.470 0.001 0.000 0.320 1341 S C -0.168 174.484 174.600 0.087 0.000 1.067 1341 S CA -0.787 57.452 58.200 0.066 0.000 1.127 1341 S CB 0.211 63.478 63.200 0.111 0.000 0.971 1341 S HN 0.392 nan 8.310 nan 0.000 0.472 1342 R N 4.241 124.759 120.500 0.031 0.000 2.443 1342 R HA 0.341 4.681 4.340 0.001 0.000 0.287 1342 R C -2.858 173.396 176.300 -0.075 0.000 1.425 1342 R CA -1.792 54.302 56.100 -0.009 0.000 1.300 1342 R CB 0.702 30.984 30.300 -0.030 0.000 1.129 1342 R HN 0.264 nan 8.270 nan 0.000 0.577 1343 P HA -0.192 nan 4.420 nan 0.000 0.216 1343 P C 0.694 177.751 177.300 -0.405 0.000 1.154 1343 P CA 1.824 64.802 63.100 -0.204 0.000 0.865 1343 P CB 0.282 31.860 31.700 -0.202 0.000 0.789 1344 T N -5.202 109.035 114.554 -0.528 0.000 3.044 1344 T HA 0.181 4.531 4.350 0.001 0.000 0.260 1344 T C 0.793 175.283 174.700 -0.349 0.000 1.019 1344 T CA -0.301 61.449 62.100 -0.583 0.000 0.921 1344 T CB -0.295 68.012 68.868 -0.934 0.000 1.053 1344 T HN -0.033 nan 8.240 nan 0.000 0.533 1345 S N 1.576 117.141 115.700 -0.225 0.000 2.580 1345 S HA 0.086 4.557 4.470 0.001 0.000 0.261 1345 S C 1.602 176.141 174.600 -0.102 0.000 1.366 1345 S CA 0.084 58.208 58.200 -0.126 0.000 0.996 1345 S CB 0.450 63.605 63.200 -0.075 0.000 0.902 1345 S HN 0.408 nan 8.310 nan 0.000 0.566 1346 T N 1.847 116.364 114.554 -0.062 0.000 2.896 1346 T HA -0.046 4.304 4.350 0.001 0.000 0.263 1346 T C 1.720 176.391 174.700 -0.049 0.000 1.050 1346 T CA 1.585 63.657 62.100 -0.047 0.000 1.140 1346 T CB -0.662 68.188 68.868 -0.031 0.000 0.877 1346 T HN 0.790 nan 8.240 nan 0.000 0.457 1347 T N 2.244 116.768 114.554 -0.050 0.000 3.160 1347 T HA 0.041 4.391 4.350 0.001 0.000 0.257 1347 T C 0.904 175.574 174.700 -0.051 0.000 1.147 1347 T CA -0.223 61.847 62.100 -0.051 0.000 1.064 1347 T CB -0.456 68.382 68.868 -0.051 0.000 0.949 1347 T HN 0.564 nan 8.240 nan 0.000 0.526 1348 R N 2.732 123.199 120.500 -0.055 0.000 2.537 1348 R HA 0.068 4.409 4.340 0.001 0.000 0.281 1348 R C 0.373 176.649 176.300 -0.040 0.000 0.988 1348 R CA 0.613 56.682 56.100 -0.051 0.000 1.077 1348 R CB 0.131 30.391 30.300 -0.067 0.000 0.932 1348 R HN 0.302 nan 8.270 nan 0.000 0.409 1349 N N 2.100 120.779 118.700 -0.035 0.000 2.594 1349 N HA 0.189 4.930 4.740 0.001 0.000 0.237 1349 N C 0.108 175.608 175.510 -0.016 0.000 1.057 1349 N CA 0.387 53.418 53.050 -0.032 0.000 0.883 1349 N CB 0.533 38.992 38.487 -0.047 0.000 1.538 1349 N HN 0.680 nan 8.380 nan 0.000 0.451 1350 G N -0.640 108.148 108.800 -0.020 0.000 2.660 1350 G HA2 0.500 4.460 3.960 0.001 0.000 0.290 1350 G HA3 0.500 4.460 3.960 0.001 0.000 0.290 1350 G C -1.392 173.516 174.900 0.013 0.000 1.432 1350 G CA -0.971 44.124 45.100 -0.008 0.000 0.807 1350 G HN 0.253 nan 8.290 nan 0.000 0.485 1351 F N -0.605 119.322 119.950 -0.039 0.000 2.362 1351 F HA 0.880 5.407 4.527 0.001 0.000 0.311 1351 F C 0.057 175.827 175.800 -0.049 0.000 1.161 1351 F CA -1.482 56.500 58.000 -0.030 0.000 1.085 1351 F CB 1.305 40.303 39.000 -0.003 0.000 1.311 1351 F HN 0.442 nan 8.300 nan 0.000 0.524 1352 M N 2.321 122.049 119.600 0.214 0.000 2.205 1352 M HA 0.321 4.801 4.480 0.001 0.000 0.344 1352 M C -0.679 175.725 176.300 0.173 0.000 1.085 1352 M CA -0.380 54.947 55.300 0.044 0.000 1.001 1352 M CB 0.936 33.577 32.600 0.068 0.000 1.626 1352 M HN 0.613 nan 8.290 nan 0.000 0.442 1353 E N 2.013 122.206 120.200 -0.011 0.000 2.413 1353 E HA 0.283 4.633 4.350 0.001 0.000 0.263 1353 E C -0.971 175.671 176.600 0.071 0.000 1.015 1353 E CA 0.227 56.699 56.400 0.120 0.000 0.916 1353 E CB 0.999 30.823 29.700 0.207 0.000 0.947 1353 E HN 0.730 nan 8.360 nan 0.000 0.440 1354 S N 0.997 116.789 115.700 0.153 0.000 2.643 1354 S HA 0.432 4.903 4.470 0.001 0.000 0.270 1354 S C -1.719 172.992 174.600 0.184 0.000 1.166 1354 S CA -0.701 57.577 58.200 0.130 0.000 0.815 1354 S CB 1.255 64.570 63.200 0.192 0.000 1.139 1354 S HN 0.491 nan 8.310 nan 0.000 0.472 1355 Q N 0.565 120.478 119.800 0.189 0.000 2.553 1355 Q HA 0.828 5.169 4.340 0.001 0.000 0.293 1355 Q C -0.105 175.961 176.000 0.110 0.000 1.038 1355 Q CA -0.731 55.174 55.803 0.169 0.000 0.777 1355 Q CB 1.460 30.341 28.738 0.238 0.000 1.487 1355 Q HN 1.479 nan 8.270 nan 0.000 0.426 1356 G N -0.576 108.222 108.800 -0.002 0.000 2.353 1356 G HA2 0.192 4.153 3.960 0.001 0.000 0.615 1356 G HA3 0.192 4.153 3.960 0.001 0.000 0.615 1356 G C -0.563 174.449 174.900 0.186 0.000 1.280 1356 G CA -0.515 44.553 45.100 -0.053 0.000 1.000 1356 G HN 1.576 nan 8.290 nan 0.000 0.516 1357 C N -1.290 118.191 119.300 0.302 0.000 3.161 1357 C HA 1.133 5.593 4.460 0.001 0.000 0.330 1357 C C 0.565 175.871 174.990 0.528 0.000 1.396 1357 C CA 0.150 59.386 59.018 0.365 0.000 1.536 1357 C CB 1.428 29.413 27.740 0.408 0.000 1.978 1357 C HN 2.680 nan 8.230 nan 0.000 0.454 1358 G N -0.082 108.948 108.800 0.385 0.000 2.731 1358 G HA2 0.657 4.618 3.960 0.001 0.000 0.298 1358 G HA3 0.657 4.618 3.960 0.001 0.000 0.298 1358 G C -1.916 173.128 174.900 0.240 0.000 1.424 1358 G CA -0.359 44.971 45.100 0.383 0.000 1.029 1358 G HN 1.191 nan 8.290 nan 0.000 0.518 1359 V N 2.202 122.228 119.914 0.187 0.000 2.841 1359 V HA 0.668 4.789 4.120 0.001 0.000 0.310 1359 V C -1.080 175.070 176.094 0.092 0.000 1.090 1359 V CA -0.870 61.517 62.300 0.145 0.000 0.930 1359 V CB 2.172 34.091 31.823 0.159 0.000 1.014 1359 V HN 0.894 nan 8.190 nan 0.000 0.425 1360 Q N 3.039 122.886 119.800 0.078 0.000 2.347 1360 Q HA 0.699 5.040 4.340 0.001 0.000 0.271 1360 Q C -0.864 175.177 176.000 0.068 0.000 1.064 1360 Q CA -0.711 55.120 55.803 0.047 0.000 0.800 1360 Q CB 2.555 31.311 28.738 0.030 0.000 1.304 1360 Q HN 0.603 nan 8.270 nan 0.000 0.438 1361 V N 3.265 123.223 119.914 0.074 0.000 2.567 1361 V HA 0.710 4.830 4.120 0.001 0.000 0.289 1361 V C -0.310 175.835 176.094 0.084 0.000 1.049 1361 V CA -0.503 61.849 62.300 0.087 0.000 0.969 1361 V CB 0.760 32.660 31.823 0.129 0.000 0.995 1361 V HN 0.805 nan 8.190 nan 0.000 0.471 1362 I N 3.860 124.472 120.570 0.070 0.000 2.730 1362 I HA 0.760 4.931 4.170 0.001 0.000 0.298 1362 I C -0.705 175.449 176.117 0.062 0.000 1.089 1362 I CA -0.946 60.399 61.300 0.075 0.000 1.041 1362 I CB 2.367 40.416 38.000 0.081 0.000 1.235 1362 I HN 0.686 nan 8.210 nan 0.000 0.423 1363 M N 2.418 122.060 119.600 0.071 0.000 2.683 1363 M HA 0.398 4.878 4.480 0.001 0.000 0.274 1363 M C -0.476 175.858 176.300 0.057 0.000 1.272 1363 M CA -0.726 54.611 55.300 0.062 0.000 0.833 1363 M CB 2.932 35.582 32.600 0.084 0.000 1.708 1363 M HN 0.814 nan 8.290 nan 0.000 0.463 1364 T N -0.543 114.038 114.554 0.046 0.000 2.919 1364 T HA 0.414 4.765 4.350 0.001 0.000 0.302 1364 T C 0.998 175.728 174.700 0.051 0.000 1.031 1364 T CA -0.090 62.037 62.100 0.045 0.000 1.127 1364 T CB 1.135 70.023 68.868 0.034 0.000 0.952 1364 T HN 0.708 nan 8.240 nan 0.000 0.540 1365 A N 1.962 124.818 122.820 0.060 0.000 1.917 1365 A HA -0.191 4.129 4.320 0.001 0.000 0.219 1365 A C 2.379 179.984 177.584 0.035 0.000 1.182 1365 A CA 1.981 54.045 52.037 0.046 0.000 0.633 1365 A CB -1.101 17.946 19.000 0.078 0.000 0.819 1365 A HN 1.025 nan 8.150 nan 0.000 0.448 1366 Q N -0.445 119.382 119.800 0.046 0.000 1.998 1366 Q HA -0.229 4.112 4.340 0.001 0.000 0.209 1366 Q C 2.061 178.083 176.000 0.036 0.000 1.002 1366 Q CA 2.061 57.889 55.803 0.043 0.000 0.858 1366 Q CB -0.432 28.333 28.738 0.045 0.000 0.932 1366 Q HN 0.584 nan 8.270 nan 0.000 0.416 1367 L N 0.409 121.655 121.223 0.038 0.000 2.127 1367 L HA -0.165 4.175 4.340 0.001 0.000 0.211 1367 L C 2.309 179.171 176.870 -0.014 0.000 1.089 1367 L CA 1.877 56.731 54.840 0.023 0.000 0.757 1367 L CB -1.101 40.991 42.059 0.056 0.000 0.899 1367 L HN 0.437 nan 8.230 nan 0.000 0.434 1368 A N 0.223 123.053 122.820 0.017 0.000 1.858 1368 A HA -0.200 4.121 4.320 0.001 0.000 0.216 1368 A C 2.207 179.825 177.584 0.056 0.000 1.190 1368 A CA 1.620 53.674 52.037 0.029 0.000 0.617 1368 A CB -0.677 18.346 19.000 0.039 0.000 0.827 1368 A HN 0.480 nan 8.150 nan 0.000 0.443 1369 L N -0.759 120.484 121.223 0.033 0.000 2.056 1369 L HA -0.178 4.162 4.340 0.001 0.000 0.207 1369 L C 2.652 179.603 176.870 0.134 0.000 1.078 1369 L CA 1.735 56.612 54.840 0.063 0.000 0.749 1369 L CB -0.510 41.517 42.059 -0.052 0.000 0.901 1369 L HN 0.625 nan 8.230 nan 0.000 0.433 1370 E N 0.432 120.657 120.200 0.042 0.000 2.058 1370 E HA -0.266 4.084 4.350 0.001 0.000 0.194 1370 E C 2.306 178.848 176.600 -0.096 0.000 0.997 1370 E CA 1.500 57.913 56.400 0.021 0.000 0.801 1370 E CB -0.045 29.674 29.700 0.032 0.000 0.746 1370 E HN 0.428 nan 8.360 nan 0.000 0.450 1371 M N -0.830 118.591 119.600 -0.299 0.000 2.099 1371 M HA 0.003 4.484 4.480 0.001 0.000 0.262 1371 M C 1.249 177.435 176.300 -0.189 0.000 1.067 1371 M CA 1.358 56.306 55.300 -0.585 0.000 1.124 1371 M CB 0.156 32.386 32.600 -0.617 0.000 1.353 1371 M HN 0.374 nan 8.290 nan 0.000 0.410 1372 G N 1.576 110.366 108.800 -0.017 0.000 2.467 1372 G HA2 -0.093 3.867 3.960 0.001 0.000 0.242 1372 G HA3 -0.093 3.867 3.960 0.001 0.000 0.242 1372 G C -0.306 174.566 174.900 -0.046 0.000 1.127 1372 G CA -0.069 45.042 45.100 0.019 0.000 0.924 1372 G HN 0.486 nan 8.290 nan 0.000 0.499 1373 V N -2.473 117.459 119.914 0.029 0.000 2.630 1373 V HA 0.906 5.026 4.120 0.001 0.000 0.305 1373 V C -1.618 174.433 176.094 -0.071 0.000 1.046 1373 V CA -3.039 59.202 62.300 -0.097 0.000 0.934 1373 V CB 1.756 33.528 31.823 -0.085 0.000 1.003 1373 V HN 0.099 nan 8.190 nan 0.000 0.451 1374 P HA 0.211 nan 4.420 nan 0.000 0.267 1374 P C -0.631 176.613 177.300 -0.093 0.000 1.195 1374 P CA 0.479 63.361 63.100 -0.363 0.000 0.773 1374 P CB 0.237 31.438 31.700 -0.832 0.000 0.837 1375 I N 2.125 122.673 120.570 -0.036 0.000 2.468 1375 I HA 0.187 4.358 4.170 0.001 0.000 0.284 1375 I C 0.270 176.327 176.117 -0.099 0.000 1.038 1375 I CA -0.443 60.861 61.300 0.007 0.000 1.083 1375 I CB 1.535 39.568 38.000 0.056 0.000 1.223 1375 I HN 0.392 nan 8.210 nan 0.000 0.443 1376 Y N 4.464 124.756 120.300 -0.013 0.000 2.448 1376 Y HA 0.311 4.861 4.550 0.001 0.000 0.289 1376 Y C 1.507 177.355 175.900 -0.085 0.000 1.114 1376 Y CA 0.514 58.588 58.100 -0.044 0.000 1.235 1376 Y CB 0.601 39.037 38.460 -0.039 0.000 1.045 1376 Y HN 0.643 nan 8.280 nan 0.000 0.554 1377 G N -0.688 108.139 108.800 0.045 0.000 2.356 1377 G HA2 0.404 4.364 3.960 0.001 0.000 0.294 1377 G HA3 0.404 4.364 3.960 0.001 0.000 0.294 1377 G C -1.942 172.891 174.900 -0.111 0.000 1.423 1377 G CA -1.020 44.044 45.100 -0.060 0.000 0.806 1377 G HN -0.090 nan 8.290 nan 0.000 0.527 1378 I N 0.886 121.316 120.570 -0.234 0.000 2.339 1378 I HA 0.311 4.482 4.170 0.001 0.000 0.290 1378 I C 0.214 176.208 176.117 -0.206 0.000 0.994 1378 I CA -1.014 60.133 61.300 -0.255 0.000 1.191 1378 I CB 1.966 39.633 38.000 -0.555 0.000 1.343 1378 I HN 0.160 nan 8.210 nan 0.000 0.458 1379 V N 6.777 126.651 119.914 -0.066 0.000 2.377 1379 V HA 0.032 4.152 4.120 0.001 0.000 0.254 1379 V C 1.319 177.385 176.094 -0.047 0.000 1.060 1379 V CA 0.341 62.594 62.300 -0.078 0.000 1.068 1379 V CB 0.323 32.151 31.823 0.008 0.000 1.113 1379 V HN 1.004 nan 8.190 nan 0.000 0.484 1380 A N 5.275 128.002 122.820 -0.156 0.000 1.970 1380 A HA 0.267 4.587 4.320 0.001 0.000 0.216 1380 A C 0.859 178.412 177.584 -0.052 0.000 1.170 1380 A CA 1.066 53.078 52.037 -0.041 0.000 0.645 1380 A CB 0.119 19.018 19.000 -0.167 0.000 0.816 1380 A HN 0.754 nan 8.150 nan 0.000 0.447 1381 M N -0.986 118.464 119.600 -0.249 0.000 2.562 1381 M HA 0.453 4.933 4.480 0.001 0.000 0.281 1381 M C -1.864 174.189 176.300 -0.411 0.000 1.195 1381 M CA -0.140 54.978 55.300 -0.302 0.000 0.888 1381 M CB 1.946 34.396 32.600 -0.250 0.000 1.731 1381 M HN 0.239 nan 8.290 nan 0.000 0.493 1382 T N -0.010 114.284 114.554 -0.433 0.000 2.883 1382 T HA 0.946 5.297 4.350 0.001 0.000 0.301 1382 T C -1.023 173.578 174.700 -0.165 0.000 1.158 1382 T CA -0.214 61.701 62.100 -0.307 0.000 1.007 1382 T CB 1.789 70.450 68.868 -0.346 0.000 1.186 1382 T HN 1.159 nan 8.240 nan 0.000 0.499 1383 S N -0.075 115.547 115.700 -0.131 0.000 2.597 1383 S HA 0.725 5.195 4.470 0.001 0.000 0.274 1383 S C -0.761 173.776 174.600 -0.104 0.000 1.132 1383 S CA -0.864 57.286 58.200 -0.084 0.000 0.835 1383 S CB 1.128 64.289 63.200 -0.065 0.000 1.092 1383 S HN 1.503 nan 8.310 nan 0.000 0.457 1384 T N -1.419 113.089 114.554 -0.077 0.000 2.885 1384 T HA 0.916 5.266 4.350 0.001 0.000 0.285 1384 T C -0.393 174.261 174.700 -0.076 0.000 1.019 1384 T CA -0.642 61.404 62.100 -0.090 0.000 1.010 1384 T CB 1.569 70.399 68.868 -0.064 0.000 1.022 1384 T HN 1.859 nan 8.240 nan 0.000 0.466 1385 A N 2.065 124.830 122.820 -0.090 0.000 2.437 1385 A HA 0.712 5.033 4.320 0.001 0.000 0.293 1385 A C -0.006 177.552 177.584 -0.044 0.000 1.038 1385 A CA -0.949 51.049 52.037 -0.065 0.000 0.708 1385 A CB 1.228 20.181 19.000 -0.077 0.000 1.251 1385 A HN 0.915 nan 8.150 nan 0.000 0.409 1386 T N 1.755 116.297 114.554 -0.021 0.000 2.922 1386 T HA 0.520 4.871 4.350 0.001 0.000 0.285 1386 T C -0.183 174.519 174.700 0.004 0.000 1.005 1386 T CA -0.548 61.550 62.100 -0.004 0.000 1.061 1386 T CB 0.891 69.758 68.868 -0.000 0.000 1.007 1386 T HN 0.652 nan 8.240 nan 0.000 0.502 1387 D N 0.533 120.942 120.400 0.015 0.000 2.511 1387 D HA 0.278 4.918 4.640 0.001 0.000 0.283 1387 D C 0.733 177.040 176.300 0.011 0.000 1.198 1387 D CA -0.680 53.331 54.000 0.018 0.000 1.097 1387 D CB 0.495 41.313 40.800 0.030 0.000 1.160 1387 D HN 0.594 nan 8.370 nan 0.000 0.589 1388 K N -0.210 120.197 120.400 0.011 0.000 2.440 1388 K HA 0.352 4.672 4.320 0.001 0.000 0.252 1388 K C 0.316 176.921 176.600 0.009 0.000 1.044 1388 K CA -0.645 55.647 56.287 0.008 0.000 0.962 1388 K CB 0.253 32.756 32.500 0.006 0.000 1.269 1388 K HN 0.251 nan 8.250 nan 0.000 0.505 1389 I N 0.764 121.338 120.570 0.008 0.000 2.648 1389 I HA 0.122 4.293 4.170 0.001 0.000 0.284 1389 I C 0.635 176.757 176.117 0.009 0.000 1.153 1389 I CA 0.657 61.962 61.300 0.009 0.000 1.426 1389 I CB 0.697 38.702 38.000 0.007 0.000 1.381 1389 I HN 0.878 nan 8.210 nan 0.000 0.571 1390 G N 5.333 114.140 108.800 0.011 0.000 2.782 1390 G HA2 0.499 4.460 3.960 0.001 0.000 0.304 1390 G HA3 0.499 4.460 3.960 0.001 0.000 0.304 1390 G C -0.080 174.828 174.900 0.013 0.000 1.315 1390 G CA -0.438 44.668 45.100 0.011 0.000 0.791 1390 G HN 0.423 nan 8.290 nan 0.000 0.519 1391 R N -0.764 119.744 120.500 0.014 0.000 2.582 1391 R HA 0.244 4.585 4.340 0.001 0.000 0.285 1391 R C 0.737 177.050 176.300 0.022 0.000 0.940 1391 R CA -0.090 56.020 56.100 0.018 0.000 1.072 1391 R CB 0.630 30.939 30.300 0.016 0.000 1.527 1391 R HN 0.406 nan 8.270 nan 0.000 0.538 1392 S N 1.648 117.359 115.700 0.018 0.000 2.411 1392 S HA 0.169 4.639 4.470 0.001 0.000 0.304 1392 S C 1.487 176.100 174.600 0.022 0.000 1.098 1392 S CA -0.305 57.907 58.200 0.020 0.000 1.068 1392 S CB 0.542 63.747 63.200 0.008 0.000 1.032 1392 S HN -0.049 nan 8.310 nan 0.000 0.511 1393 V N 7.610 127.552 119.914 0.047 0.000 2.343 1393 V HA -0.056 4.064 4.120 0.001 0.000 0.247 1393 V C -0.884 175.233 176.094 0.038 0.000 1.051 1393 V CA 1.584 63.925 62.300 0.068 0.000 1.036 1393 V CB -1.239 30.654 31.823 0.117 0.000 0.654 1393 V HN 0.660 nan 8.190 nan 0.000 0.451 1394 P HA 0.129 nan 4.420 nan 0.000 0.236 1394 P C 0.348 177.475 177.300 -0.288 0.000 1.177 1394 P CA 0.597 63.522 63.100 -0.291 0.000 0.773 1394 P CB -0.055 31.515 31.700 -0.217 0.000 0.878 1395 A N 1.579 124.325 122.820 -0.124 0.000 2.498 1395 A HA 0.354 4.674 4.320 0.001 0.000 0.239 1395 A C -2.167 175.363 177.584 -0.090 0.000 1.068 1395 A CA -0.660 51.320 52.037 -0.096 0.000 0.766 1395 A CB -0.918 18.055 19.000 -0.045 0.000 1.003 1395 A HN 0.053 nan 8.150 nan 0.000 0.497 1396 P HA 0.530 nan 4.420 nan 0.000 0.290 1396 P C 0.160 177.428 177.300 -0.054 0.000 1.276 1396 P CA -0.005 63.039 63.100 -0.093 0.000 0.808 1396 P CB 1.724 33.280 31.700 -0.240 0.000 0.966 1397 G N 1.333 110.155 108.800 0.035 0.000 3.108 1397 G HA2 0.381 4.341 3.960 0.001 0.000 0.268 1397 G HA3 0.381 4.341 3.960 0.001 0.000 0.268 1397 G C -0.740 174.226 174.900 0.109 0.000 1.361 1397 G CA -0.592 44.535 45.100 0.045 0.000 1.047 1397 G HN 0.421 nan 8.290 nan 0.000 0.540 1398 Q N 0.052 119.899 119.800 0.078 0.000 2.263 1398 Q HA 0.221 4.561 4.340 0.001 0.000 0.337 1398 Q C 1.579 177.613 176.000 0.057 0.000 0.906 1398 Q CA -0.117 55.740 55.803 0.090 0.000 1.124 1398 Q CB 1.234 30.001 28.738 0.047 0.000 1.255 1398 Q HN 0.652 nan 8.270 nan 0.000 0.435 1399 G N 0.477 109.311 108.800 0.057 0.000 2.422 1399 G HA2 -0.205 3.756 3.960 0.001 0.000 0.218 1399 G HA3 -0.205 3.756 3.960 0.001 0.000 0.218 1399 G C 1.339 176.228 174.900 -0.017 0.000 1.146 1399 G CA 0.693 45.799 45.100 0.010 0.000 0.769 1399 G HN 0.305 nan 8.290 nan 0.000 0.547 1400 V N 1.044 120.946 119.914 -0.019 0.000 2.867 1400 V HA -0.066 4.054 4.120 0.001 0.000 0.260 1400 V C 2.595 178.655 176.094 -0.056 0.000 1.099 1400 V CA 0.800 63.051 62.300 -0.083 0.000 1.122 1400 V CB -0.487 31.234 31.823 -0.170 0.000 0.708 1400 V HN 0.351 nan 8.190 nan 0.000 0.490 1401 L N 1.432 122.643 121.223 -0.021 0.000 2.079 1401 L HA -0.157 4.183 4.340 0.001 0.000 0.210 1401 L C 2.528 179.357 176.870 -0.068 0.000 1.081 1401 L CA 2.268 57.085 54.840 -0.038 0.000 0.752 1401 L CB -0.529 41.513 42.059 -0.029 0.000 0.896 1401 L HN 0.664 nan 8.230 nan 0.000 0.433 1402 T N -4.637 109.880 114.554 -0.061 0.000 3.400 1402 T HA -0.057 4.294 4.350 0.001 0.000 0.254 1402 T C 1.225 175.891 174.700 -0.057 0.000 1.153 1402 T CA 0.675 62.737 62.100 -0.063 0.000 1.012 1402 T CB -0.802 68.038 68.868 -0.046 0.000 0.994 1402 T HN 0.477 nan 8.240 nan 0.000 0.555 1403 T N -2.529 111.983 114.554 -0.070 0.000 3.206 1403 T HA 0.639 4.989 4.350 0.001 0.000 0.253 1403 T C 1.168 175.819 174.700 -0.081 0.000 1.042 1403 T CA -0.034 62.020 62.100 -0.077 0.000 0.931 1403 T CB 0.047 68.853 68.868 -0.103 0.000 1.029 1403 T HN 0.433 nan 8.240 nan 0.000 0.564 1404 A N 1.709 124.490 122.820 -0.064 0.000 2.635 1404 A HA 0.382 4.702 4.320 0.001 0.000 0.279 1404 A C 0.817 178.403 177.584 0.003 0.000 1.122 1404 A CA -0.835 51.185 52.037 -0.027 0.000 0.965 1404 A CB 0.040 19.026 19.000 -0.022 0.000 1.221 1404 A HN 0.629 nan 8.150 nan 0.000 0.566 1405 R N 0.959 121.437 120.500 -0.038 0.000 2.537 1405 R HA 0.441 4.781 4.340 0.001 0.000 0.280 1405 R C -0.325 176.015 176.300 0.067 0.000 1.058 1405 R CA 0.391 56.472 56.100 -0.033 0.000 1.057 1405 R CB 0.333 30.611 30.300 -0.036 0.000 0.973 1405 R HN 0.348 nan 8.270 nan 0.000 0.438 1406 E N 2.460 122.755 120.200 0.157 0.000 2.537 1406 E HA 0.111 4.461 4.350 0.001 0.000 0.301 1406 E C -1.857 174.851 176.600 0.180 0.000 0.990 1406 E CA -0.762 55.735 56.400 0.161 0.000 0.828 1406 E CB 1.608 31.395 29.700 0.145 0.000 1.243 1406 E HN 0.678 nan 8.360 nan 0.000 0.414 1407 K N 2.677 123.137 120.400 0.100 0.000 2.389 1407 K HA 0.320 4.640 4.320 0.001 0.000 0.261 1407 K C -1.181 175.446 176.600 0.044 0.000 1.014 1407 K CA -0.404 55.928 56.287 0.075 0.000 0.920 1407 K CB 1.648 34.184 32.500 0.059 0.000 1.149 1407 K HN 0.333 nan 8.250 nan 0.000 0.444 1408 S N 2.577 118.286 115.700 0.015 0.000 2.430 1408 S HA 0.381 4.851 4.470 0.001 0.000 0.289 1408 S C 0.271 174.867 174.600 -0.006 0.000 1.143 1408 S CA -0.618 57.581 58.200 -0.002 0.000 1.067 1408 S CB 0.715 63.890 63.200 -0.041 0.000 0.964 1408 S HN 0.777 nan 8.310 nan 0.000 0.485 1409 G N 3.459 112.267 108.800 0.014 0.000 2.683 1409 G HA2 0.039 4.000 3.960 0.001 0.000 0.260 1409 G HA3 0.039 4.000 3.960 0.001 0.000 0.260 1409 G C 0.971 175.845 174.900 -0.044 0.000 1.238 1409 G CA -0.515 44.592 45.100 0.011 0.000 0.934 1409 G HN 0.805 nan 8.290 nan 0.000 0.534 1410 N N -0.877 117.759 118.700 -0.107 0.000 2.192 1410 N HA -0.105 4.636 4.740 0.001 0.000 0.188 1410 N C -0.095 175.087 175.510 -0.546 0.000 1.013 1410 N CA 1.140 53.971 53.050 -0.365 0.000 0.863 1410 N CB -0.141 38.035 38.487 -0.518 0.000 0.990 1410 N HN 0.351 nan 8.380 nan 0.000 0.430 1411 F N 0.384 120.327 119.950 -0.011 0.000 2.520 1411 F HA 0.419 4.947 4.527 0.001 0.000 0.322 1411 F C -2.004 173.783 175.800 -0.021 0.000 1.103 1411 F CA -2.486 55.504 58.000 -0.017 0.000 0.926 1411 F CB 1.104 40.092 39.000 -0.021 0.000 1.154 1411 F HN -0.271 nan 8.300 nan 0.000 0.453 1412 P HA 0.003 nan 4.420 nan 0.000 0.265 1412 P C -0.250 177.081 177.300 0.053 0.000 1.193 1412 P CA -0.093 63.053 63.100 0.077 0.000 0.765 1412 P CB 0.658 32.393 31.700 0.059 0.000 0.823 1413 S N 4.401 120.122 115.700 0.035 0.000 2.563 1413 S HA 0.012 4.483 4.470 0.001 0.000 0.294 1413 S C -1.157 173.382 174.600 -0.102 0.000 1.279 1413 S CA -0.802 57.392 58.200 -0.010 0.000 1.069 1413 S CB -0.262 62.966 63.200 0.046 0.000 0.828 1413 S HN 0.260 nan 8.310 nan 0.000 0.497 1414 P HA -0.167 nan 4.420 nan 0.000 0.218 1414 P C 1.322 178.355 177.300 -0.444 0.000 1.154 1414 P CA 1.388 64.142 63.100 -0.576 0.000 0.872 1414 P CB -0.024 30.905 31.700 -1.286 0.000 0.790 1415 L N -1.869 119.195 121.223 -0.266 0.000 2.191 1415 L HA -0.151 4.189 4.340 0.001 0.000 0.212 1415 L C 2.397 179.161 176.870 -0.177 0.000 1.103 1415 L CA 1.020 55.791 54.840 -0.115 0.000 0.769 1415 L CB -0.896 41.201 42.059 0.063 0.000 0.908 1415 L HN -0.040 nan 8.230 nan 0.000 0.438 1416 L N -0.652 120.555 121.223 -0.026 0.000 2.191 1416 L HA -0.154 4.186 4.340 0.001 0.000 0.212 1416 L C 0.813 177.678 176.870 -0.008 0.000 1.103 1416 L CA 0.452 55.315 54.840 0.040 0.000 0.769 1416 L CB -0.588 41.515 42.059 0.074 0.000 0.908 1416 L HN 0.258 nan 8.230 nan 0.000 0.438 1417 D N 0.392 120.771 120.400 -0.034 0.000 2.325 1417 D HA 0.041 4.682 4.640 0.001 0.000 0.251 1417 D C 1.083 177.380 176.300 -0.004 0.000 1.196 1417 D CA 0.125 54.120 54.000 -0.007 0.000 0.866 1417 D CB 0.892 41.692 40.800 -0.001 0.000 1.101 1417 D HN 0.022 nan 8.370 nan 0.000 0.476 1418 I N 3.544 124.108 120.570 -0.009 0.000 2.394 1418 I HA -0.227 3.944 4.170 0.001 0.000 0.251 1418 I C 1.605 177.706 176.117 -0.026 0.000 1.136 1418 I CA 0.931 62.212 61.300 -0.031 0.000 1.425 1418 I CB 0.190 38.184 38.000 -0.010 0.000 1.079 1418 I HN 0.453 nan 8.210 nan 0.000 0.425 1419 K N -0.272 120.127 120.400 -0.002 0.000 2.103 1419 K HA -0.230 4.091 4.320 0.001 0.000 0.204 1419 K C 2.057 178.645 176.600 -0.020 0.000 1.052 1419 K CA 1.419 57.696 56.287 -0.016 0.000 0.945 1419 K CB -0.442 32.055 32.500 -0.004 0.000 0.722 1419 K HN 0.304 nan 8.250 nan 0.000 0.443 1420 Y N 2.258 122.495 120.300 -0.104 0.000 2.181 1420 Y HA -0.196 4.355 4.550 0.001 0.000 0.288 1420 Y C 1.982 177.773 175.900 -0.183 0.000 1.146 1420 Y CA 1.429 59.457 58.100 -0.120 0.000 1.164 1420 Y CB 0.044 38.451 38.460 -0.089 0.000 0.982 1420 Y HN -0.108 nan 8.280 nan 0.000 0.515 1421 R N -0.194 120.271 120.500 -0.059 0.000 2.115 1421 R HA -0.123 4.218 4.340 0.001 0.000 0.230 1421 R C 2.423 178.521 176.300 -0.337 0.000 1.111 1421 R CA 0.964 56.931 56.100 -0.223 0.000 0.976 1421 R CB -0.237 30.003 30.300 -0.100 0.000 0.870 1421 R HN 0.274 nan 8.270 nan 0.000 0.445 1422 R N 0.983 121.353 120.500 -0.217 0.000 2.082 1422 R HA -0.109 4.231 4.340 0.001 0.000 0.234 1422 R C 2.224 178.365 176.300 -0.265 0.000 1.136 1422 R CA 1.512 57.497 56.100 -0.191 0.000 0.935 1422 R CB -0.421 29.809 30.300 -0.116 0.000 0.842 1422 R HN 0.234 nan 8.270 nan 0.000 0.430 1423 R N 0.363 120.692 120.500 -0.285 0.000 2.132 1423 R HA -0.197 4.143 4.340 0.001 0.000 0.233 1423 R C 2.315 178.361 176.300 -0.423 0.000 1.125 1423 R CA 1.941 57.857 56.100 -0.307 0.000 0.914 1423 R CB -0.395 29.716 30.300 -0.316 0.000 0.845 1423 R HN 0.326 nan 8.270 nan 0.000 0.431 1424 Q N 0.366 119.758 119.800 -0.680 0.000 2.197 1424 Q HA -0.198 4.142 4.340 0.001 0.000 0.207 1424 Q C 2.178 177.649 176.000 -0.882 0.000 0.984 1424 Q CA 1.198 56.462 55.803 -0.898 0.000 0.869 1424 Q CB -0.333 27.532 28.738 -1.456 0.000 0.906 1424 Q HN 0.276 nan 8.270 nan 0.000 0.426 1425 L N 0.985 121.754 121.223 -0.756 0.000 2.007 1425 L HA -0.117 4.223 4.340 0.001 0.000 0.205 1425 L C 1.970 178.715 176.870 -0.208 0.000 1.073 1425 L CA 1.837 56.439 54.840 -0.396 0.000 0.744 1425 L CB -0.380 41.542 42.059 -0.228 0.000 0.898 1425 L HN 0.041 nan 8.230 nan 0.000 0.435 1426 E N -0.406 119.682 120.200 -0.186 0.000 2.268 1426 E HA -0.183 4.168 4.350 0.001 0.000 0.195 1426 E C 2.091 178.625 176.600 -0.110 0.000 0.995 1426 E CA 0.700 57.031 56.400 -0.115 0.000 0.836 1426 E CB -0.211 29.431 29.700 -0.097 0.000 0.763 1426 E HN 0.428 nan 8.360 nan 0.000 0.491 1427 L N 1.038 122.164 121.223 -0.162 0.000 1.989 1427 L HA -0.192 4.149 4.340 0.001 0.000 0.211 1427 L C 1.911 178.730 176.870 -0.086 0.000 1.071 1427 L CA 1.859 56.620 54.840 -0.132 0.000 0.749 1427 L CB -0.379 41.567 42.059 -0.189 0.000 0.890 1427 L HN 0.126 nan 8.230 nan 0.000 0.431 1428 R N -0.149 120.295 120.500 -0.093 0.000 2.235 1428 R HA -0.073 4.268 4.340 0.001 0.000 0.213 1428 R C 2.201 178.490 176.300 -0.018 0.000 1.059 1428 R CA 0.541 56.624 56.100 -0.029 0.000 0.997 1428 R CB -0.242 30.073 30.300 0.025 0.000 0.884 1428 R HN 0.510 nan 8.270 nan 0.000 0.462 1429 R N 0.020 120.502 120.500 -0.030 0.000 2.073 1429 R HA -0.062 4.278 4.340 0.001 0.000 0.229 1429 R C 2.219 178.525 176.300 0.009 0.000 1.120 1429 R CA 0.895 56.989 56.100 -0.010 0.000 0.967 1429 R CB 0.039 30.328 30.300 -0.019 0.000 0.862 1429 R HN 0.154 nan 8.270 nan 0.000 0.436 1430 Q N 0.705 120.505 119.800 -0.000 0.000 1.990 1430 Q HA -0.211 4.130 4.340 0.001 0.000 0.200 1430 Q C 2.013 178.037 176.000 0.040 0.000 0.980 1430 Q CA 1.439 57.251 55.803 0.016 0.000 0.832 1430 Q CB -0.328 28.409 28.738 -0.001 0.000 0.897 1430 Q HN 0.369 nan 8.270 nan 0.000 0.427 1431 Q N -0.008 119.809 119.800 0.028 0.000 2.290 1431 Q HA -0.194 4.147 4.340 0.001 0.000 0.211 1431 Q C 1.959 178.012 176.000 0.088 0.000 0.991 1431 Q CA 1.210 57.043 55.803 0.049 0.000 0.893 1431 Q CB -0.086 28.665 28.738 0.023 0.000 0.913 1431 Q HN 0.370 nan 8.270 nan 0.000 0.428 1432 I N -0.558 120.053 120.570 0.068 0.000 2.429 1432 I HA -0.192 3.979 4.170 0.001 0.000 0.247 1432 I C 2.362 178.596 176.117 0.194 0.000 1.099 1432 I CA 0.616 61.969 61.300 0.089 0.000 1.422 1432 I CB -0.157 37.845 38.000 0.003 0.000 1.112 1432 I HN 0.121 nan 8.210 nan 0.000 0.430 1433 K N 1.127 121.608 120.400 0.136 0.000 2.113 1433 K HA -0.286 4.035 4.320 0.001 0.000 0.208 1433 K C 2.122 178.823 176.600 0.168 0.000 1.047 1433 K CA 2.091 58.463 56.287 0.143 0.000 0.928 1433 K CB -0.052 32.498 32.500 0.084 0.000 0.716 1433 K HN 0.492 nan 8.250 nan 0.000 0.446 1434 Q N -1.119 118.776 119.800 0.158 0.000 2.187 1434 Q HA -0.171 4.169 4.340 0.001 0.000 0.199 1434 Q C 2.047 178.153 176.000 0.177 0.000 0.957 1434 Q CA 0.982 56.866 55.803 0.135 0.000 0.857 1434 Q CB -0.710 28.088 28.738 0.100 0.000 0.929 1434 Q HN 0.508 nan 8.270 nan 0.000 0.453 1435 W N 2.601 123.926 121.300 0.042 0.000 2.338 1435 W HA -0.186 4.474 4.660 0.001 0.000 0.304 1435 W C 2.180 178.740 176.519 0.069 0.000 1.212 1435 W CA 2.068 59.438 57.345 0.042 0.000 1.264 1435 W CB 0.075 29.548 29.460 0.022 0.000 1.142 1435 W HN 0.094 nan 8.180 nan 0.000 0.512 1436 K N 0.396 121.039 120.400 0.404 0.000 2.001 1436 K HA -0.282 4.038 4.320 0.001 0.000 0.214 1436 K C 1.931 178.633 176.600 0.170 0.000 1.050 1436 K CA 2.405 58.869 56.287 0.295 0.000 0.934 1436 K CB -0.432 32.297 32.500 0.381 0.000 0.718 1436 K HN 0.245 nan 8.250 nan 0.000 0.443 1437 E N 0.008 120.309 120.200 0.168 0.000 2.023 1437 E HA -0.203 4.148 4.350 0.001 0.000 0.196 1437 E C 2.067 178.703 176.600 0.060 0.000 1.003 1437 E CA 1.467 57.953 56.400 0.144 0.000 0.809 1437 E CB -0.242 29.486 29.700 0.047 0.000 0.755 1437 E HN 0.298 nan 8.360 nan 0.000 0.449 1438 S N 0.658 116.330 115.700 -0.047 0.000 2.407 1438 S HA -0.287 4.184 4.470 0.001 0.000 0.235 1438 S C 1.962 176.442 174.600 -0.200 0.000 1.036 1438 S CA 1.902 60.039 58.200 -0.105 0.000 1.013 1438 S CB -0.131 62.999 63.200 -0.117 0.000 0.820 1438 S HN 0.181 nan 8.310 nan 0.000 0.476 1439 E N -0.475 119.461 120.200 -0.440 0.000 2.158 1439 E HA 0.023 4.374 4.350 0.001 0.000 0.191 1439 E C 1.547 177.992 176.600 -0.258 0.000 0.982 1439 E CA 1.029 57.109 56.400 -0.533 0.000 0.823 1439 E CB -0.479 28.541 29.700 -1.133 0.000 0.766 1439 E HN 0.760 nan 8.360 nan 0.000 0.468 1440 Y N 0.013 120.208 120.300 -0.175 0.000 2.207 1440 Y HA -0.182 4.368 4.550 0.001 0.000 0.287 1440 Y C 2.102 177.976 175.900 -0.043 0.000 1.156 1440 Y CA 1.391 59.446 58.100 -0.075 0.000 1.182 1440 Y CB -0.271 38.156 38.460 -0.054 0.000 0.979 1440 Y HN 0.159 nan 8.280 nan 0.000 0.521 1441 L N -1.053 120.233 121.223 0.105 0.000 1.961 1441 L HA -0.266 4.075 4.340 0.001 0.000 0.210 1441 L C 2.256 179.147 176.870 0.036 0.000 1.072 1441 L CA 1.824 56.694 54.840 0.050 0.000 0.749 1441 L CB -0.986 41.089 42.059 0.027 0.000 0.889 1441 L HN 0.268 nan 8.230 nan 0.000 0.432 1442 Y N -0.559 119.691 120.300 -0.084 0.000 2.151 1442 Y HA -0.308 4.243 4.550 0.001 0.000 0.284 1442 Y C 2.266 178.122 175.900 -0.074 0.000 1.166 1442 Y CA 2.032 60.081 58.100 -0.085 0.000 1.163 1442 Y CB -0.025 38.365 38.460 -0.116 0.000 0.974 1442 Y HN 0.320 nan 8.280 nan 0.000 0.511 1443 L N 0.056 121.365 121.223 0.144 0.000 2.478 1443 L HA -0.072 4.269 4.340 0.001 0.000 0.223 1443 L C 2.046 178.942 176.870 0.045 0.000 1.140 1443 L CA 1.050 55.945 54.840 0.091 0.000 0.842 1443 L CB -0.294 41.767 42.059 0.003 0.000 0.953 1443 L HN 0.247 nan 8.230 nan 0.000 0.452 1444 Q N -0.236 119.578 119.800 0.023 0.000 2.089 1444 Q HA -0.116 4.225 4.340 0.001 0.000 0.195 1444 Q C 1.937 177.906 176.000 -0.052 0.000 0.963 1444 Q CA 1.604 57.410 55.803 0.005 0.000 0.834 1444 Q CB 0.026 28.779 28.738 0.024 0.000 0.906 1444 Q HN 0.568 nan 8.270 nan 0.000 0.452 1445 E N 0.407 120.551 120.200 -0.094 0.000 2.051 1445 E HA -0.231 4.120 4.350 0.001 0.000 0.192 1445 E C 1.818 178.319 176.600 -0.165 0.000 0.991 1445 E CA 1.224 57.537 56.400 -0.145 0.000 0.799 1445 E CB -0.193 29.376 29.700 -0.218 0.000 0.748 1445 E HN 0.539 nan 8.360 nan 0.000 0.449 1446 E N 1.272 121.367 120.200 -0.174 0.000 2.204 1446 E HA -0.175 4.176 4.350 0.001 0.000 0.195 1446 E C 2.071 178.561 176.600 -0.183 0.000 0.990 1446 E CA 0.867 57.176 56.400 -0.151 0.000 0.821 1446 E CB 0.158 29.827 29.700 -0.051 0.000 0.750 1446 E HN 0.044 nan 8.360 nan 0.000 0.477 1447 V N 1.513 121.330 119.914 -0.161 0.000 2.223 1447 V HA -0.290 3.830 4.120 0.001 0.000 0.244 1447 V C 2.575 178.521 176.094 -0.247 0.000 1.045 1447 V CA 2.093 64.246 62.300 -0.245 0.000 1.000 1447 V CB -0.982 30.763 31.823 -0.131 0.000 0.635 1447 V HN 0.483 nan 8.190 nan 0.000 0.445 1448 A N -0.229 122.495 122.820 -0.159 0.000 1.972 1448 A HA -0.094 4.226 4.320 0.001 0.000 0.219 1448 A C 2.328 179.827 177.584 -0.142 0.000 1.169 1448 A CA 1.996 53.954 52.037 -0.132 0.000 0.635 1448 A CB -0.730 18.214 19.000 -0.093 0.000 0.810 1448 A HN 0.624 nan 8.150 nan 0.000 0.446 1449 A N -0.352 122.374 122.820 -0.156 0.000 2.067 1449 A HA 0.042 4.362 4.320 0.001 0.000 0.219 1449 A C 1.889 179.380 177.584 -0.155 0.000 1.158 1449 A CA 1.355 53.306 52.037 -0.143 0.000 0.661 1449 A CB -0.496 18.415 19.000 -0.147 0.000 0.801 1449 A HN 0.528 nan 8.150 nan 0.000 0.452 1450 I N -1.149 119.284 120.570 -0.229 0.000 3.603 1450 I HA -0.076 4.094 4.170 0.001 0.000 0.297 1450 I C 1.917 177.906 176.117 -0.215 0.000 1.269 1450 I CA 0.434 61.573 61.300 -0.269 0.000 1.361 1450 I CB -0.032 37.663 38.000 -0.509 0.000 1.063 1450 I HN 0.207 nan 8.210 nan 0.000 0.448 1451 K N 1.122 121.410 120.400 -0.186 0.000 2.097 1451 K HA -0.069 4.252 4.320 0.001 0.000 0.205 1451 K C 2.073 178.640 176.600 -0.054 0.000 1.050 1451 K CA 1.721 57.948 56.287 -0.099 0.000 0.938 1451 K CB -0.206 32.240 32.500 -0.090 0.000 0.718 1451 K HN 0.321 nan 8.250 nan 0.000 0.442 1452 S N 0.895 116.557 115.700 -0.063 0.000 2.562 1452 S HA -0.034 4.437 4.470 0.001 0.000 0.221 1452 S C 1.270 175.851 174.600 -0.032 0.000 0.975 1452 S CA 0.267 58.442 58.200 -0.043 0.000 0.918 1452 S CB -0.004 63.167 63.200 -0.047 0.000 0.772 1452 S HN 0.279 nan 8.310 nan 0.000 0.531 1453 Q N 0.534 120.313 119.800 -0.034 0.000 2.188 1453 Q HA 0.308 4.648 4.340 0.001 0.000 0.212 1453 Q C 0.122 176.128 176.000 0.010 0.000 0.846 1453 Q CA -0.178 55.615 55.803 -0.015 0.000 0.989 1453 Q CB 0.424 29.148 28.738 -0.023 0.000 1.114 1453 Q HN 0.334 nan 8.270 nan 0.000 0.488 1454 R N 0.962 121.472 120.500 0.016 0.000 2.198 1454 R HA 0.333 4.673 4.340 0.001 0.000 0.339 1454 R C -0.650 175.666 176.300 0.027 0.000 1.020 1454 R CA -0.015 56.111 56.100 0.044 0.000 0.864 1454 R CB 0.860 31.199 30.300 0.064 0.000 1.105 1454 R HN 0.060 nan 8.270 nan 0.000 0.463 1455 S N 2.368 118.083 115.700 0.025 0.000 2.614 1455 S HA 0.026 4.497 4.470 0.001 0.000 0.265 1455 S C 0.632 175.239 174.600 0.012 0.000 1.303 1455 S CA -0.533 57.675 58.200 0.014 0.000 1.000 1455 S CB 1.130 64.336 63.200 0.010 0.000 0.935 1455 S HN 0.583 nan 8.310 nan 0.000 0.551 1456 E N 0.687 120.890 120.200 0.005 0.000 2.442 1456 E HA -0.023 4.327 4.350 0.001 0.000 0.195 1456 E C 1.252 177.850 176.600 -0.003 0.000 1.030 1456 E CA 0.373 56.775 56.400 0.002 0.000 0.869 1456 E CB -0.017 29.683 29.700 0.001 0.000 0.857 1456 E HN 0.724 nan 8.360 nan 0.000 0.505 1457 E N 0.422 120.620 120.200 -0.003 0.000 2.442 1457 E HA 0.030 4.380 4.350 0.001 0.000 0.195 1457 E C -0.140 176.453 176.600 -0.013 0.000 1.030 1457 E CA 0.146 56.542 56.400 -0.007 0.000 0.869 1457 E CB 0.152 29.849 29.700 -0.005 0.000 0.857 1457 E HN 0.061 nan 8.360 nan 0.000 0.505 1458 D N 1.560 121.954 120.400 -0.010 0.000 2.255 1458 D HA 0.234 4.875 4.640 0.001 0.000 0.249 1458 D C 0.342 176.616 176.300 -0.044 0.000 1.078 1458 D CA -0.172 53.816 54.000 -0.021 0.000 0.896 1458 D CB 1.226 42.028 40.800 0.004 0.000 1.194 1458 D HN 0.156 nan 8.370 nan 0.000 0.429 1459 G N 1.674 110.422 108.800 -0.086 0.000 2.398 1459 G HA2 0.329 4.289 3.960 0.001 0.000 0.246 1459 G HA3 0.329 4.289 3.960 0.001 0.000 0.246 1459 G C -2.078 172.722 174.900 -0.165 0.000 1.289 1459 G CA -0.698 44.330 45.100 -0.120 0.000 0.869 1459 G HN 0.248 nan 8.290 nan 0.000 0.543 1460 P HA 0.105 nan 4.420 nan 0.000 0.268 1460 P C -0.581 176.641 177.300 -0.131 0.000 1.208 1460 P CA 0.049 63.118 63.100 -0.051 0.000 0.777 1460 P CB 0.405 32.096 31.700 -0.015 0.000 0.875 1461 F N 1.199 121.132 119.950 -0.027 0.000 2.411 1461 F HA 0.128 4.656 4.527 0.001 0.000 0.350 1461 F C 0.717 176.515 175.800 -0.003 0.000 1.114 1461 F CA -0.251 57.733 58.000 -0.027 0.000 1.135 1461 F CB 0.642 39.581 39.000 -0.100 0.000 1.120 1461 F HN 0.178 nan 8.300 nan 0.000 0.495 1462 D N 4.637 125.148 120.400 0.184 0.000 2.383 1462 D HA 0.018 4.659 4.640 0.001 0.000 0.245 1462 D C 1.055 177.480 176.300 0.208 0.000 1.263 1462 D CA 0.240 54.330 54.000 0.151 0.000 0.936 1462 D CB 0.525 41.390 40.800 0.110 0.000 1.053 1462 D HN 0.668 nan 8.370 nan 0.000 0.507 1463 E N 0.854 121.147 120.200 0.155 0.000 2.070 1463 E HA -0.173 4.177 4.350 0.001 0.000 0.197 1463 E C 1.438 178.126 176.600 0.146 0.000 1.004 1463 E CA 1.433 57.912 56.400 0.131 0.000 0.805 1463 E CB 0.121 29.860 29.700 0.065 0.000 0.744 1463 E HN 0.418 nan 8.360 nan 0.000 0.451 1464 T N 1.110 115.729 114.554 0.109 0.000 2.699 1464 T HA -0.237 4.113 4.350 0.001 0.000 0.268 1464 T C 1.942 176.705 174.700 0.106 0.000 1.036 1464 T CA 1.424 63.579 62.100 0.093 0.000 1.147 1464 T CB -0.323 68.585 68.868 0.068 0.000 0.862 1464 T HN 0.270 nan 8.240 nan 0.000 0.446 1465 A N 0.780 123.674 122.820 0.123 0.000 1.825 1465 A HA -0.029 4.291 4.320 0.001 0.000 0.214 1465 A C 2.090 179.763 177.584 0.150 0.000 1.206 1465 A CA 1.532 53.641 52.037 0.119 0.000 0.609 1465 A CB -1.413 17.658 19.000 0.118 0.000 0.851 1465 A HN 0.522 nan 8.150 nan 0.000 0.445 1466 Y N 0.467 120.825 120.300 0.096 0.000 2.139 1466 Y HA -0.259 4.291 4.550 0.001 0.000 0.282 1466 Y C 2.104 178.032 175.900 0.046 0.000 1.179 1466 Y CA 2.034 60.191 58.100 0.095 0.000 1.161 1466 Y CB -0.169 38.384 38.460 0.155 0.000 0.970 1466 Y HN 0.240 nan 8.280 nan 0.000 0.511 1467 L N -0.645 120.749 121.223 0.284 0.000 2.027 1467 L HA -0.222 4.118 4.340 0.001 0.000 0.206 1467 L C 2.648 179.568 176.870 0.085 0.000 1.074 1467 L CA 1.349 56.298 54.840 0.183 0.000 0.745 1467 L CB -0.565 41.584 42.059 0.151 0.000 0.898 1467 L HN 0.205 nan 8.230 nan 0.000 0.433 1468 R N 0.232 120.778 120.500 0.076 0.000 2.148 1468 R HA -0.230 4.110 4.340 0.001 0.000 0.230 1468 R C 2.150 178.462 176.300 0.020 0.000 1.120 1468 R CA 2.055 58.187 56.100 0.052 0.000 0.902 1468 R CB -0.503 29.828 30.300 0.051 0.000 0.839 1468 R HN 0.375 nan 8.270 nan 0.000 0.431 1469 E N -0.179 120.013 120.200 -0.014 0.000 2.108 1469 E HA -0.268 4.082 4.350 0.001 0.000 0.203 1469 E C 2.142 178.708 176.600 -0.058 0.000 1.022 1469 E CA 1.282 57.655 56.400 -0.045 0.000 0.823 1469 E CB -0.107 29.533 29.700 -0.099 0.000 0.744 1469 E HN 0.199 nan 8.360 nan 0.000 0.456 1470 R N -0.040 120.376 120.500 -0.140 0.000 2.092 1470 R HA -0.067 4.274 4.340 0.001 0.000 0.231 1470 R C 2.602 178.863 176.300 -0.065 0.000 1.119 1470 R CA 1.719 57.721 56.100 -0.163 0.000 0.970 1470 R CB -1.056 29.106 30.300 -0.230 0.000 0.864 1470 R HN 0.405 nan 8.270 nan 0.000 0.440 1471 T N -0.947 113.592 114.554 -0.026 0.000 2.698 1471 T HA -0.072 4.278 4.350 0.001 0.000 0.260 1471 T C 1.660 176.381 174.700 0.034 0.000 1.044 1471 T CA 0.927 63.014 62.100 -0.023 0.000 1.149 1471 T CB -0.334 68.607 68.868 0.122 0.000 0.864 1471 T HN 0.259 nan 8.240 nan 0.000 0.419 1472 E N 0.687 120.924 120.200 0.062 0.000 2.136 1472 E HA -0.312 4.038 4.350 0.001 0.000 0.202 1472 E C 2.236 178.876 176.600 0.067 0.000 1.019 1472 E CA 1.676 58.115 56.400 0.065 0.000 0.819 1472 E CB -0.429 29.302 29.700 0.052 0.000 0.739 1472 E HN 0.627 nan 8.360 nan 0.000 0.458 1473 H N 1.003 120.057 119.070 -0.028 0.000 2.321 1473 H HA -0.078 4.479 4.556 0.001 0.000 0.300 1473 H C 2.036 177.367 175.328 0.006 0.000 1.087 1473 H CA 1.511 57.545 56.048 -0.023 0.000 1.319 1473 H CB -0.069 29.662 29.762 -0.051 0.000 1.379 1473 H HN 0.166 nan 8.280 nan 0.000 0.501 1474 I N 0.828 121.504 120.570 0.177 0.000 2.361 1474 I HA -0.196 3.974 4.170 0.001 0.000 0.251 1474 I C 2.535 178.724 176.117 0.120 0.000 1.133 1474 I CA 0.824 62.203 61.300 0.132 0.000 1.413 1474 I CB -0.203 37.671 38.000 -0.209 0.000 1.073 1474 I HN 0.192 nan 8.210 nan 0.000 0.424 1475 E N 1.215 121.462 120.200 0.078 0.000 2.017 1475 E HA -0.190 4.160 4.350 0.001 0.000 0.193 1475 E C 2.285 178.911 176.600 0.043 0.000 0.997 1475 E CA 1.250 57.711 56.400 0.101 0.000 0.804 1475 E CB -0.298 29.462 29.700 0.100 0.000 0.757 1475 E HN 0.454 nan 8.360 nan 0.000 0.448 1476 R N 0.534 121.022 120.500 -0.020 0.000 2.097 1476 R HA -0.197 4.144 4.340 0.001 0.000 0.236 1476 R C 2.379 178.611 176.300 -0.112 0.000 1.135 1476 R CA 1.729 57.784 56.100 -0.075 0.000 0.934 1476 R CB -0.369 29.853 30.300 -0.130 0.000 0.846 1476 R HN 0.070 nan 8.270 nan 0.000 0.431 1477 E N 0.422 120.510 120.200 -0.188 0.000 2.209 1477 E HA -0.161 4.190 4.350 0.001 0.000 0.196 1477 E C 1.582 178.088 176.600 -0.157 0.000 0.993 1477 E CA 1.372 57.656 56.400 -0.195 0.000 0.819 1477 E CB -0.065 29.531 29.700 -0.172 0.000 0.745 1477 E HN 0.396 nan 8.360 nan 0.000 0.477 1478 A N 0.598 123.413 122.820 -0.008 0.000 1.832 1478 A HA -0.145 4.175 4.320 0.001 0.000 0.214 1478 A C 2.186 179.748 177.584 -0.037 0.000 1.200 1478 A CA 1.605 53.655 52.037 0.020 0.000 0.610 1478 A CB -0.555 18.550 19.000 0.175 0.000 0.842 1478 A HN 0.206 nan 8.150 nan 0.000 0.444 1479 R N -0.928 119.567 120.500 -0.009 0.000 2.113 1479 R HA -0.199 4.141 4.340 0.001 0.000 0.244 1479 R C 2.568 178.838 176.300 -0.050 0.000 1.142 1479 R CA 1.916 58.007 56.100 -0.016 0.000 0.953 1479 R CB -0.398 29.899 30.300 -0.005 0.000 0.860 1479 R HN 0.523 nan 8.270 nan 0.000 0.438 1480 R N 0.467 120.920 120.500 -0.079 0.000 2.094 1480 R HA -0.235 4.106 4.340 0.001 0.000 0.239 1480 R C 2.266 178.495 176.300 -0.118 0.000 1.137 1480 R CA 1.951 57.992 56.100 -0.100 0.000 0.943 1480 R CB -0.145 30.079 30.300 -0.128 0.000 0.850 1480 R HN 0.118 nan 8.270 nan 0.000 0.433 1481 Q N 0.525 120.224 119.800 -0.167 0.000 2.170 1481 Q HA -0.124 4.216 4.340 0.001 0.000 0.203 1481 Q C 1.646 177.576 176.000 -0.117 0.000 0.976 1481 Q CA 1.541 57.228 55.803 -0.193 0.000 0.858 1481 Q CB 0.020 28.558 28.738 -0.334 0.000 0.907 1481 Q HN 0.361 nan 8.270 nan 0.000 0.433 1482 E N -0.700 119.452 120.200 -0.080 0.000 1.998 1482 E HA -0.201 4.149 4.350 0.001 0.000 0.196 1482 E C 1.818 178.402 176.600 -0.026 0.000 1.003 1482 E CA 1.047 57.424 56.400 -0.037 0.000 0.829 1482 E CB -0.294 29.396 29.700 -0.015 0.000 0.777 1482 E HN 0.405 nan 8.360 nan 0.000 0.460 1483 A N 1.506 124.310 122.820 -0.027 0.000 1.997 1483 A HA -0.281 4.039 4.320 0.001 0.000 0.221 1483 A C 1.917 179.481 177.584 -0.034 0.000 1.172 1483 A CA 1.845 53.868 52.037 -0.022 0.000 0.645 1483 A CB -0.602 18.383 19.000 -0.024 0.000 0.813 1483 A HN 0.289 nan 8.150 nan 0.000 0.454 1484 E N -0.703 119.464 120.200 -0.055 0.000 2.072 1484 E HA -0.089 4.262 4.350 0.001 0.000 0.191 1484 E C 2.353 178.917 176.600 -0.059 0.000 0.985 1484 E CA 0.918 57.275 56.400 -0.072 0.000 0.801 1484 E CB -0.250 29.393 29.700 -0.096 0.000 0.750 1484 E HN 0.651 nan 8.360 nan 0.000 0.452 1485 A N 1.134 123.940 122.820 -0.024 0.000 1.929 1485 A HA -0.208 4.113 4.320 0.001 0.000 0.216 1485 A C 2.067 179.720 177.584 0.116 0.000 1.176 1485 A CA 1.147 53.216 52.037 0.054 0.000 0.628 1485 A CB -0.379 18.679 19.000 0.096 0.000 0.816 1485 A HN 0.163 nan 8.150 nan 0.000 0.444 1486 Q N -0.771 119.065 119.800 0.061 0.000 2.096 1486 Q HA -0.171 4.170 4.340 0.001 0.000 0.204 1486 Q C 2.093 178.117 176.000 0.040 0.000 0.982 1486 Q CA 2.110 57.949 55.803 0.060 0.000 0.850 1486 Q CB -0.267 28.483 28.738 0.020 0.000 0.901 1486 Q HN 0.627 nan 8.270 nan 0.000 0.422 1487 T N 0.239 114.785 114.554 -0.013 0.000 2.652 1487 T HA -0.157 4.193 4.350 0.001 0.000 0.267 1487 T C 1.768 176.418 174.700 -0.084 0.000 1.039 1487 T CA 1.707 63.773 62.100 -0.056 0.000 1.153 1487 T CB -0.286 68.528 68.868 -0.090 0.000 0.863 1487 T HN 0.498 nan 8.240 nan 0.000 0.428 1488 S N -0.280 115.332 115.700 -0.147 0.000 2.607 1488 S HA 0.146 4.617 4.470 0.001 0.000 0.224 1488 S C 1.186 175.533 174.600 -0.421 0.000 0.969 1488 S CA 0.338 58.346 58.200 -0.320 0.000 0.927 1488 S CB -0.452 62.466 63.200 -0.469 0.000 0.772 1488 S HN 0.539 nan 8.310 nan 0.000 0.533 1489 F N 0.015 119.995 119.950 0.050 0.000 2.817 1489 F HA 0.431 4.959 4.527 0.001 0.000 0.333 1489 F C 1.979 177.811 175.800 0.054 0.000 1.085 1489 F CA -0.213 57.810 58.000 0.039 0.000 1.170 1489 F CB 0.865 39.839 39.000 -0.043 0.000 1.066 1489 F HN 0.359 nan 8.300 nan 0.000 0.564 1490 G N -0.332 108.622 108.800 0.256 0.000 2.906 1490 G HA2 0.001 3.961 3.960 0.001 0.000 0.200 1490 G HA3 0.001 3.961 3.960 0.001 0.000 0.200 1490 G C 1.186 176.250 174.900 0.273 0.000 1.101 1490 G CA 0.112 45.335 45.100 0.206 0.000 0.760 1490 G HN 0.042 nan 8.290 nan 0.000 0.694 1491 N N 0.935 119.689 118.700 0.090 0.000 2.132 1491 N HA -0.024 4.716 4.740 0.001 0.000 0.187 1491 N C 1.015 176.405 175.510 -0.200 0.000 1.038 1491 N CA 0.919 53.967 53.050 -0.003 0.000 0.846 1491 N CB 0.158 38.614 38.487 -0.051 0.000 1.012 1491 N HN 0.287 nan 8.380 nan 0.000 0.429 1492 E N 0.641 120.651 120.200 -0.318 0.000 2.569 1492 E HA 0.051 4.401 4.350 0.001 0.000 0.205 1492 E C 0.557 176.769 176.600 -0.646 0.000 1.006 1492 E CA -0.290 55.699 56.400 -0.686 0.000 0.985 1492 E CB -0.002 29.417 29.700 -0.468 0.000 1.060 1492 E HN 0.397 nan 8.360 nan 0.000 0.460 1493 F N -0.099 119.655 119.950 -0.328 0.000 2.451 1493 F HA -0.073 4.455 4.527 0.001 0.000 0.299 1493 F C 1.582 177.362 175.800 -0.033 0.000 1.101 1493 F CA 0.177 58.093 58.000 -0.141 0.000 1.436 1493 F CB -0.542 38.483 39.000 0.040 0.000 1.074 1493 F HN 0.131 nan 8.300 nan 0.000 0.553 1494 W N 1.415 122.365 121.300 -0.582 0.000 3.278 1494 W HA 0.346 5.006 4.660 0.001 0.000 0.308 1494 W C 0.428 176.837 176.519 -0.183 0.000 1.253 1494 W CA -0.686 56.441 57.345 -0.364 0.000 1.759 1494 W CB -1.000 28.127 29.460 -0.556 0.000 1.093 1494 W HN -0.023 nan 8.180 nan 0.000 0.648 1495 R N 3.170 123.412 120.500 -0.429 0.000 2.413 1495 R HA -0.020 4.320 4.340 0.001 0.000 0.333 1495 R C 0.920 177.154 176.300 -0.110 0.000 1.074 1495 R CA 0.416 56.301 56.100 -0.358 0.000 0.982 1495 R CB -0.228 29.802 30.300 -0.449 0.000 0.981 1495 R HN 0.280 nan 8.270 nan 0.000 0.452 1496 R N 2.175 122.674 120.500 -0.001 0.000 3.908 1496 R HA -0.180 4.161 4.340 0.001 0.000 0.381 1496 R C -1.006 175.317 176.300 0.039 0.000 1.135 1496 R CA 1.105 57.216 56.100 0.018 0.000 0.990 1496 R CB -1.207 29.081 30.300 -0.020 0.000 1.557 1496 R HN 0.710 nan 8.270 nan 0.000 0.535 1497 D N 0.030 120.474 120.400 0.074 0.000 2.338 1497 D HA 0.067 4.708 4.640 0.001 0.000 0.255 1497 D C 0.948 177.300 176.300 0.086 0.000 1.237 1497 D CA 0.815 54.868 54.000 0.089 0.000 0.883 1497 D CB 1.464 42.345 40.800 0.136 0.000 1.087 1497 D HN 0.218 nan 8.370 nan 0.000 0.485 1498 S N 3.972 119.712 115.700 0.065 0.000 2.462 1498 S HA -0.155 4.315 4.470 0.001 0.000 0.243 1498 S C 1.269 175.909 174.600 0.067 0.000 1.003 1498 S CA 1.057 59.292 58.200 0.059 0.000 0.970 1498 S CB 0.043 63.271 63.200 0.046 0.000 0.762 1498 S HN 0.540 nan 8.310 nan 0.000 0.510 1499 R N -0.094 120.452 120.500 0.076 0.000 2.509 1499 R HA 0.435 4.776 4.340 0.001 0.000 0.300 1499 R C -0.527 175.825 176.300 0.085 0.000 0.985 1499 R CA 0.046 56.190 56.100 0.074 0.000 1.092 1499 R CB 0.434 30.776 30.300 0.070 0.000 1.237 1499 R HN 0.378 nan 8.270 nan 0.000 0.546 1500 I N 1.062 121.692 120.570 0.099 0.000 2.500 1500 I HA 0.288 4.459 4.170 0.001 0.000 0.286 1500 I C -0.342 175.813 176.117 0.063 0.000 1.063 1500 I CA -0.993 60.366 61.300 0.097 0.000 1.062 1500 I CB 2.003 40.103 38.000 0.166 0.000 1.223 1500 I HN -0.019 nan 8.210 nan 0.000 0.435 1501 A N 7.841 130.673 122.820 0.020 0.000 2.488 1501 A HA 0.356 4.677 4.320 0.001 0.000 0.249 1501 A C -1.728 175.780 177.584 -0.127 0.000 1.083 1501 A CA -0.928 51.097 52.037 -0.019 0.000 0.768 1501 A CB -0.103 18.890 19.000 -0.011 0.000 1.017 1501 A HN 0.548 nan 8.150 nan 0.000 0.496 1502 P HA -0.179 nan 4.420 nan 0.000 0.218 1502 P C 1.425 178.359 177.300 -0.609 0.000 1.146 1502 P CA 0.939 63.830 63.100 -0.348 0.000 0.813 1502 P CB 0.099 31.730 31.700 -0.115 0.000 0.778 1503 L N -1.548 119.466 121.223 -0.348 0.000 2.005 1503 L HA -0.167 4.173 4.340 0.001 0.000 0.207 1503 L C 2.772 179.450 176.870 -0.320 0.000 1.072 1503 L CA 1.435 56.087 54.840 -0.313 0.000 0.744 1503 L CB -0.429 41.516 42.059 -0.189 0.000 0.895 1503 L HN -0.124 nan 8.230 nan 0.000 0.433 1504 R N 0.061 120.418 120.500 -0.238 0.000 2.132 1504 R HA -0.185 4.155 4.340 0.001 0.000 0.233 1504 R C 2.048 178.181 176.300 -0.278 0.000 1.125 1504 R CA 1.730 57.729 56.100 -0.169 0.000 0.914 1504 R CB -1.485 28.767 30.300 -0.079 0.000 0.845 1504 R HN 0.486 nan 8.270 nan 0.000 0.431 1505 G N 0.410 108.917 108.800 -0.489 0.000 2.764 1505 G HA2 -0.365 3.595 3.960 0.001 0.000 0.219 1505 G HA3 -0.365 3.595 3.960 0.001 0.000 0.219 1505 G C 1.547 175.742 174.900 -1.176 0.000 1.259 1505 G CA 2.243 46.735 45.100 -1.014 0.000 0.793 1505 G HN 0.548 nan 8.290 nan 0.000 0.633 1506 A N -0.017 121.872 122.820 -1.552 0.000 1.958 1506 A HA -0.038 4.283 4.320 0.001 0.000 0.221 1506 A C 2.537 180.058 177.584 -0.106 0.000 1.178 1506 A CA 1.822 53.469 52.037 -0.650 0.000 0.642 1506 A CB -0.406 18.264 19.000 -0.551 0.000 0.816 1506 A HN 0.418 nan 8.150 nan 0.000 0.453 1507 L N -1.383 119.742 121.223 -0.164 0.000 2.023 1507 L HA -0.117 4.224 4.340 0.001 0.000 0.205 1507 L C 3.124 180.079 176.870 0.142 0.000 1.073 1507 L CA 0.987 55.830 54.840 0.005 0.000 0.745 1507 L CB -0.553 41.465 42.059 -0.068 0.000 0.900 1507 L HN 0.440 nan 8.230 nan 0.000 0.435 1508 A N -0.208 122.683 122.820 0.118 0.000 1.978 1508 A HA -0.253 4.067 4.320 0.001 0.000 0.220 1508 A C 2.296 180.066 177.584 0.309 0.000 1.170 1508 A CA 2.164 54.337 52.037 0.227 0.000 0.636 1508 A CB -1.025 18.145 19.000 0.285 0.000 0.810 1508 A HN 0.529 nan 8.150 nan 0.000 0.448 1509 T N -4.644 110.127 114.554 0.363 0.000 3.077 1509 T HA -0.146 4.205 4.350 0.001 0.000 0.269 1509 T C 0.868 175.473 174.700 -0.159 0.000 1.146 1509 T CA 1.253 63.506 62.100 0.254 0.000 1.091 1509 T CB -0.528 68.464 68.868 0.207 0.000 0.892 1509 T HN 0.635 nan 8.240 nan 0.000 0.533 1510 W N 0.348 121.772 121.300 0.207 0.000 2.684 1510 W HA 0.569 5.229 4.660 0.001 0.000 0.381 1510 W C 1.288 177.964 176.519 0.262 0.000 0.975 1510 W CA -0.432 57.046 57.345 0.222 0.000 1.789 1510 W CB 0.310 29.873 29.460 0.172 0.000 1.161 1510 W HN 0.314 nan 8.180 nan 0.000 0.564 1511 G N 1.810 110.807 108.800 0.329 0.000 2.248 1511 G HA2 -0.248 3.712 3.960 0.001 0.000 0.263 1511 G HA3 -0.248 3.712 3.960 0.001 0.000 0.263 1511 G C -0.714 174.341 174.900 0.257 0.000 1.082 1511 G CA -0.220 45.027 45.100 0.246 0.000 0.863 1511 G HN 0.198 nan 8.290 nan 0.000 0.495 1512 L N -0.195 121.159 121.223 0.220 0.000 2.393 1512 L HA 0.849 5.189 4.340 0.001 0.000 0.260 1512 L C 0.640 177.569 176.870 0.098 0.000 1.002 1512 L CA -0.613 54.321 54.840 0.155 0.000 0.818 1512 L CB 2.510 44.630 42.059 0.102 0.000 1.369 1512 L HN 0.364 nan 8.230 nan 0.000 0.412 1513 T N -2.845 111.755 114.554 0.075 0.000 2.905 1513 T HA 0.517 4.868 4.350 0.001 0.000 0.283 1513 T C 1.191 175.902 174.700 0.019 0.000 1.031 1513 T CA -0.801 61.326 62.100 0.046 0.000 1.002 1513 T CB 1.157 70.060 68.868 0.058 0.000 1.200 1513 T HN 0.441 nan 8.240 nan 0.000 0.560 1514 I N -0.039 120.531 120.570 0.000 0.000 2.423 1514 I HA -0.128 4.042 4.170 0.001 0.000 0.254 1514 I C 1.605 177.720 176.117 -0.003 0.000 1.151 1514 I CA 1.217 62.504 61.300 -0.022 0.000 1.421 1514 I CB -0.652 37.325 38.000 -0.039 0.000 1.079 1514 I HN 0.490 nan 8.210 nan 0.000 0.431 1515 D N 0.985 121.401 120.400 0.026 0.000 2.264 1515 D HA -0.126 4.515 4.640 0.001 0.000 0.208 1515 D C 1.683 178.015 176.300 0.054 0.000 0.966 1515 D CA 0.956 54.978 54.000 0.037 0.000 0.864 1515 D CB -0.230 40.627 40.800 0.095 0.000 0.933 1515 D HN 0.440 nan 8.370 nan 0.000 0.499 1516 D N -0.057 120.375 120.400 0.053 0.000 2.323 1516 D HA -0.063 4.577 4.640 0.001 0.000 0.209 1516 D C 0.724 177.040 176.300 0.027 0.000 0.973 1516 D CA -0.068 53.966 54.000 0.057 0.000 0.874 1516 D CB 0.421 41.253 40.800 0.054 0.000 0.930 1516 D HN 0.132 nan 8.370 nan 0.000 0.521 1517 L N 1.779 123.004 121.223 0.003 0.000 2.600 1517 L HA 0.115 4.455 4.340 0.001 0.000 0.278 1517 L C 1.314 178.208 176.870 0.040 0.000 1.139 1517 L CA 0.191 55.026 54.840 -0.007 0.000 0.933 1517 L CB 0.705 42.745 42.059 -0.031 0.000 1.266 1517 L HN -0.132 nan 8.230 nan 0.000 0.471 1518 G N 4.055 112.898 108.800 0.071 0.000 2.497 1518 G HA2 0.126 4.086 3.960 0.001 0.000 0.210 1518 G HA3 0.126 4.086 3.960 0.001 0.000 0.210 1518 G C 0.151 175.119 174.900 0.113 0.000 1.177 1518 G CA 0.124 45.289 45.100 0.109 0.000 0.822 1518 G HN 0.381 nan 8.290 nan 0.000 0.550 1519 V N 0.914 120.902 119.914 0.123 0.000 2.513 1519 V HA 0.725 4.846 4.120 0.001 0.000 0.299 1519 V C -0.333 175.827 176.094 0.111 0.000 1.035 1519 V CA -0.777 61.589 62.300 0.111 0.000 0.889 1519 V CB 1.510 33.393 31.823 0.100 0.000 0.988 1519 V HN 0.453 nan 8.190 nan 0.000 0.440 1520 A N 3.065 125.937 122.820 0.087 0.000 2.291 1520 A HA 0.681 5.001 4.320 0.001 0.000 0.311 1520 A C -0.043 177.561 177.584 0.033 0.000 1.224 1520 A CA -0.352 51.704 52.037 0.032 0.000 0.821 1520 A CB 1.234 20.219 19.000 -0.025 0.000 1.172 1520 A HN 0.687 nan 8.150 nan 0.000 0.494 1521 S N 2.110 117.794 115.700 -0.027 0.000 2.474 1521 S HA 0.603 5.074 4.470 0.001 0.000 0.276 1521 S C -0.698 173.881 174.600 -0.034 0.000 1.227 1521 S CA -0.126 58.063 58.200 -0.018 0.000 1.050 1521 S CB -0.396 62.777 63.200 -0.046 0.000 0.939 1521 S HN 0.375 nan 8.310 nan 0.000 0.490 1522 F N 3.370 123.252 119.950 -0.113 0.000 2.399 1522 F HA 0.358 4.885 4.527 0.001 0.000 0.334 1522 F C 1.454 177.382 175.800 0.212 0.000 1.097 1522 F CA -0.591 57.456 58.000 0.078 0.000 1.076 1522 F CB 0.885 39.967 39.000 0.137 0.000 1.162 1522 F HN 0.728 nan 8.300 nan 0.000 0.495 1523 H N 2.707 121.945 119.070 0.280 0.000 2.265 1523 H HA -0.048 4.508 4.556 0.001 0.000 0.295 1523 H C 1.454 176.929 175.328 0.245 0.000 1.084 1523 H CA 1.369 57.535 56.048 0.195 0.000 1.261 1523 H CB -0.633 29.271 29.762 0.237 0.000 1.360 1523 H HN 0.757 nan 8.280 nan 0.000 0.487 1524 G N 0.160 109.209 108.800 0.416 0.000 2.247 1524 G HA2 -0.265 3.696 3.960 0.001 0.000 0.260 1524 G HA3 -0.265 3.696 3.960 0.001 0.000 0.260 1524 G C 0.759 175.719 174.900 0.101 0.000 0.852 1524 G CA 0.918 46.218 45.100 0.332 0.000 1.281 1524 G HN 0.795 nan 8.290 nan 0.000 0.378 1525 T N -1.538 113.014 114.554 -0.003 0.000 3.163 1525 T HA 0.480 4.831 4.350 0.001 0.000 0.252 1525 T C 1.391 176.141 174.700 0.082 0.000 1.056 1525 T CA 0.950 63.029 62.100 -0.036 0.000 0.947 1525 T CB 0.479 69.279 68.868 -0.113 0.000 1.016 1525 T HN 1.968 nan 8.240 nan 0.000 0.554 1526 S N 0.728 116.449 115.700 0.034 0.000 3.228 1526 S HA -0.194 4.277 4.470 0.001 0.000 0.282 1526 S C 0.494 175.115 174.600 0.035 0.000 1.286 1526 S CA 1.035 59.246 58.200 0.018 0.000 1.066 1526 S CB -2.272 60.958 63.200 0.049 0.000 1.277 1526 S HN 1.190 nan 8.310 nan 0.000 0.661 1527 T N -0.913 113.675 114.554 0.057 0.000 2.899 1527 T HA 0.645 4.996 4.350 0.001 0.000 0.284 1527 T C 1.583 176.285 174.700 0.003 0.000 1.004 1527 T CA -0.302 61.831 62.100 0.055 0.000 1.043 1527 T CB 1.456 70.378 68.868 0.090 0.000 1.013 1527 T HN 0.302 nan 8.240 nan 0.000 0.518 1528 V N 1.527 121.441 119.914 -0.001 0.000 2.261 1528 V HA -0.092 4.029 4.120 0.001 0.000 0.246 1528 V C 3.017 179.096 176.094 -0.025 0.000 1.047 1528 V CA 2.116 64.405 62.300 -0.018 0.000 1.015 1528 V CB -1.704 30.111 31.823 -0.012 0.000 0.642 1528 V HN 1.073 nan 8.190 nan 0.000 0.446 1529 A N 0.490 123.294 122.820 -0.026 0.000 1.935 1529 A HA -0.126 4.194 4.320 0.001 0.000 0.214 1529 A C 2.046 179.586 177.584 -0.074 0.000 1.178 1529 A CA 1.423 53.435 52.037 -0.041 0.000 0.640 1529 A CB -0.824 18.150 19.000 -0.044 0.000 0.825 1529 A HN 0.603 nan 8.150 nan 0.000 0.447 1530 N N 0.166 118.819 118.700 -0.077 0.000 2.443 1530 N HA -0.147 4.593 4.740 0.001 0.000 0.184 1530 N C 0.776 176.233 175.510 -0.088 0.000 1.037 1530 N CA 1.709 54.686 53.050 -0.121 0.000 0.896 1530 N CB -0.079 38.381 38.487 -0.046 0.000 0.959 1530 N HN 0.420 nan 8.380 nan 0.000 0.442 1531 D N -0.636 119.733 120.400 -0.052 0.000 2.324 1531 D HA -0.012 4.628 4.640 0.001 0.000 0.212 1531 D C 1.490 177.753 176.300 -0.062 0.000 0.984 1531 D CA 0.317 54.294 54.000 -0.039 0.000 0.885 1531 D CB -0.003 40.733 40.800 -0.107 0.000 0.996 1531 D HN 0.253 nan 8.370 nan 0.000 0.505 1532 K N 0.973 121.345 120.400 -0.047 0.000 1.969 1532 K HA -0.174 4.146 4.320 0.001 0.000 0.216 1532 K C 1.912 178.469 176.600 -0.071 0.000 1.048 1532 K CA 1.205 57.491 56.287 -0.003 0.000 0.948 1532 K CB -0.189 32.343 32.500 0.052 0.000 0.726 1532 K HN -0.078 nan 8.250 nan 0.000 0.442 1533 N N 1.069 119.720 118.700 -0.082 0.000 2.037 1533 N HA -0.220 4.521 4.740 0.001 0.000 0.196 1533 N C 1.619 177.042 175.510 -0.145 0.000 1.034 1533 N CA 1.855 54.827 53.050 -0.130 0.000 0.861 1533 N CB -0.062 38.282 38.487 -0.238 0.000 1.039 1533 N HN 0.226 nan 8.380 nan 0.000 0.427 1534 E N -0.371 119.744 120.200 -0.141 0.000 2.033 1534 E HA -0.181 4.169 4.350 0.001 0.000 0.199 1534 E C 2.045 178.773 176.600 0.214 0.000 1.011 1534 E CA 1.546 57.986 56.400 0.066 0.000 0.815 1534 E CB -0.229 29.684 29.700 0.355 0.000 0.755 1534 E HN 0.364 nan 8.360 nan 0.000 0.451 1535 S N 1.022 116.828 115.700 0.177 0.000 2.369 1535 S HA -0.241 4.229 4.470 0.001 0.000 0.225 1535 S C 1.692 176.070 174.600 -0.370 0.000 1.043 1535 S CA 1.614 59.729 58.200 -0.142 0.000 1.074 1535 S CB -0.553 62.149 63.200 -0.831 0.000 0.962 1535 S HN 0.301 nan 8.310 nan 0.000 0.433 1536 D N 0.754 120.850 120.400 -0.506 0.000 2.149 1536 D HA -0.119 4.522 4.640 0.001 0.000 0.194 1536 D C 1.803 178.138 176.300 0.059 0.000 1.001 1536 D CA 1.058 55.052 54.000 -0.010 0.000 0.849 1536 D CB -0.330 40.558 40.800 0.148 0.000 0.939 1536 D HN 0.226 nan 8.370 nan 0.000 0.449 1537 V N 0.429 120.362 119.914 0.032 0.000 2.255 1537 V HA -0.141 3.979 4.120 0.001 0.000 0.243 1537 V C 2.696 178.809 176.094 0.031 0.000 1.038 1537 V CA 1.108 63.441 62.300 0.055 0.000 1.008 1537 V CB -0.348 31.545 31.823 0.117 0.000 0.645 1537 V HN 0.242 nan 8.190 nan 0.000 0.449 1538 I N -0.636 119.947 120.570 0.023 0.000 2.315 1538 I HA -0.347 3.824 4.170 0.001 0.000 0.251 1538 I C 2.566 178.689 176.117 0.011 0.000 1.125 1538 I CA 1.575 62.864 61.300 -0.017 0.000 1.392 1538 I CB -0.179 37.774 38.000 -0.080 0.000 1.065 1538 I HN 0.493 nan 8.210 nan 0.000 0.424 1539 C N 0.478 119.818 119.300 0.067 0.000 2.496 1539 C HA -0.188 4.272 4.460 0.001 0.000 0.281 1539 C C 2.813 177.800 174.990 -0.005 0.000 1.250 1539 C CA 1.115 60.195 59.018 0.103 0.000 1.717 1539 C CB -0.986 26.943 27.740 0.314 0.000 2.082 1539 C HN 0.482 nan 8.230 nan 0.000 0.472 1540 Q N -0.188 119.642 119.800 0.051 0.000 2.133 1540 Q HA -0.304 4.036 4.340 0.001 0.000 0.208 1540 Q C 2.279 178.261 176.000 -0.029 0.000 0.991 1540 Q CA 2.058 57.872 55.803 0.018 0.000 0.867 1540 Q CB -0.334 28.422 28.738 0.030 0.000 0.911 1540 Q HN 0.744 nan 8.270 nan 0.000 0.417 1541 Q N 0.314 120.088 119.800 -0.042 0.000 1.956 1541 Q HA -0.200 4.141 4.340 0.001 0.000 0.208 1541 Q C 2.313 178.258 176.000 -0.091 0.000 0.998 1541 Q CA 1.455 57.225 55.803 -0.055 0.000 0.855 1541 Q CB -0.304 28.395 28.738 -0.065 0.000 0.928 1541 Q HN 0.407 nan 8.270 nan 0.000 0.418 1542 L N 0.764 121.886 121.223 -0.168 0.000 2.013 1542 L HA -0.276 4.064 4.340 0.001 0.000 0.212 1542 L C 2.714 179.345 176.870 -0.399 0.000 1.073 1542 L CA 1.444 56.118 54.840 -0.276 0.000 0.753 1542 L CB -0.664 41.181 42.059 -0.357 0.000 0.890 1542 L HN 0.283 nan 8.230 nan 0.000 0.432 1543 K N 0.077 120.154 120.400 -0.537 0.000 1.969 1543 K HA -0.305 4.015 4.320 0.001 0.000 0.216 1543 K C 2.202 178.726 176.600 -0.126 0.000 1.048 1543 K CA 2.353 58.385 56.287 -0.426 0.000 0.948 1543 K CB -0.428 31.936 32.500 -0.226 0.000 0.726 1543 K HN 0.364 nan 8.250 nan 0.000 0.442 1544 H N 0.447 119.442 119.070 -0.126 0.000 2.457 1544 H HA -0.053 4.504 4.556 0.001 0.000 0.297 1544 H C 1.965 177.254 175.328 -0.065 0.000 1.092 1544 H CA 1.530 57.536 56.048 -0.069 0.000 1.309 1544 H CB -0.004 29.727 29.762 -0.050 0.000 1.382 1544 H HN 0.202 nan 8.280 nan 0.000 0.535 1545 L N -1.131 120.065 121.223 -0.047 0.000 2.217 1545 L HA 0.040 4.381 4.340 0.001 0.000 0.211 1545 L C 1.834 178.636 176.870 -0.113 0.000 1.107 1545 L CA 1.302 56.090 54.840 -0.087 0.000 0.783 1545 L CB -0.099 41.934 42.059 -0.043 0.000 0.919 1545 L HN 0.771 nan 8.230 nan 0.000 0.442 1546 G N -0.430 108.308 108.800 -0.102 0.000 2.273 1546 G HA2 -0.213 3.748 3.960 0.001 0.000 0.162 1546 G HA3 -0.213 3.748 3.960 0.001 0.000 0.162 1546 G C 0.342 175.240 174.900 -0.004 0.000 1.006 1546 G CA -0.149 44.919 45.100 -0.053 0.000 0.704 1546 G HN 0.213 nan 8.290 nan 0.000 0.487 1547 R N 2.421 122.899 120.500 -0.037 0.000 2.489 1547 R HA 0.223 4.563 4.340 0.001 0.000 0.287 1547 R C 1.122 177.525 176.300 0.172 0.000 0.902 1547 R CA 1.320 57.437 56.100 0.028 0.000 1.136 1547 R CB -0.115 30.142 30.300 -0.072 0.000 0.872 1547 R HN 0.528 nan 8.270 nan 0.000 0.421 1548 T N 2.858 117.484 114.554 0.120 0.000 2.814 1548 T HA 0.186 4.537 4.350 0.001 0.000 0.297 1548 T C -0.049 174.691 174.700 0.067 0.000 0.956 1548 T CA -0.860 61.319 62.100 0.132 0.000 1.123 1548 T CB 0.641 69.628 68.868 0.198 0.000 0.902 1548 T HN 0.503 nan 8.240 nan 0.000 0.528 1549 K N 2.242 122.693 120.400 0.086 0.000 2.530 1549 K HA 0.222 4.543 4.320 0.001 0.000 0.280 1549 K C 1.471 178.029 176.600 -0.070 0.000 1.004 1549 K CA 1.237 57.490 56.287 -0.057 0.000 1.071 1549 K CB -0.057 32.435 32.500 -0.013 0.000 0.876 1549 K HN 1.083 nan 8.250 nan 0.000 0.487 1550 G N 2.429 111.137 108.800 -0.154 0.000 2.232 1550 G HA2 -0.253 3.708 3.960 0.001 0.000 0.226 1550 G HA3 -0.253 3.708 3.960 0.001 0.000 0.226 1550 G C 0.007 174.853 174.900 -0.090 0.000 0.996 1550 G CA -0.094 45.008 45.100 0.003 0.000 0.626 1550 G HN 0.613 nan 8.290 nan 0.000 0.509 1551 N N 1.607 120.021 118.700 -0.476 0.000 2.521 1551 N HA 0.649 5.389 4.740 0.001 0.000 0.236 1551 N C 0.290 175.732 175.510 -0.113 0.000 1.067 1551 N CA 0.763 53.393 53.050 -0.701 0.000 0.939 1551 N CB 0.527 38.234 38.487 -1.299 0.000 1.201 1551 N HN 0.792 nan 8.380 nan 0.000 0.511 1552 A N 2.349 125.294 122.820 0.209 0.000 2.293 1552 A HA 0.572 4.893 4.320 0.001 0.000 0.302 1552 A C -0.216 177.476 177.584 0.179 0.000 1.119 1552 A CA -0.713 51.434 52.037 0.183 0.000 0.823 1552 A CB 0.639 19.692 19.000 0.087 0.000 1.097 1552 A HN 0.485 nan 8.150 nan 0.000 0.491 1553 V N 0.590 120.576 119.914 0.120 0.000 2.439 1553 V HA 0.413 4.533 4.120 0.001 0.000 0.282 1553 V C 0.209 176.341 176.094 0.064 0.000 1.039 1553 V CA -0.782 61.581 62.300 0.105 0.000 0.913 1553 V CB 0.579 32.465 31.823 0.104 0.000 0.983 1553 V HN 0.694 nan 8.190 nan 0.000 0.460 1554 L N 4.589 125.860 121.223 0.080 0.000 2.477 1554 L HA 0.355 4.695 4.340 0.001 0.000 0.272 1554 L C 1.037 177.914 176.870 0.013 0.000 1.157 1554 L CA 0.596 55.459 54.840 0.039 0.000 0.889 1554 L CB 0.559 42.654 42.059 0.060 0.000 1.158 1554 L HN 0.987 nan 8.230 nan 0.000 0.473 1555 G N 5.794 114.552 108.800 -0.069 0.000 2.335 1555 G HA2 0.557 4.517 3.960 0.001 0.000 0.314 1555 G HA3 0.557 4.517 3.960 0.001 0.000 0.314 1555 G C -0.376 174.288 174.900 -0.392 0.000 1.129 1555 G CA -0.496 44.495 45.100 -0.182 0.000 0.912 1555 G HN 0.483 nan 8.290 nan 0.000 0.443 1556 I N 1.258 121.595 120.570 -0.387 0.000 2.498 1556 I HA 0.445 4.615 4.170 0.001 0.000 0.301 1556 I C -0.866 174.914 176.117 -0.561 0.000 0.984 1556 I CA -0.708 60.406 61.300 -0.309 0.000 1.204 1556 I CB 1.966 39.937 38.000 -0.050 0.000 1.362 1556 I HN 0.330 nan 8.210 nan 0.000 0.471 1557 F N 4.051 124.150 119.950 0.249 0.000 2.809 1557 F HA 0.263 4.791 4.527 0.001 0.000 0.369 1557 F C 1.068 177.033 175.800 0.274 0.000 1.225 1557 F CA -0.471 57.679 58.000 0.250 0.000 1.201 1557 F CB 0.755 39.877 39.000 0.205 0.000 1.527 1557 F HN 0.467 nan 8.300 nan 0.000 0.565 1558 Q N 1.116 121.076 119.800 0.266 0.000 2.291 1558 Q HA -0.144 4.196 4.340 0.001 0.000 0.206 1558 Q C 1.765 177.772 176.000 0.011 0.000 0.976 1558 Q CA 1.166 57.029 55.803 0.101 0.000 0.875 1558 Q CB 0.319 29.116 28.738 0.099 0.000 0.927 1558 Q HN 0.320 nan 8.270 nan 0.000 0.450 1559 K N 0.172 120.655 120.400 0.137 0.000 2.152 1559 K HA -0.208 4.112 4.320 0.001 0.000 0.206 1559 K C 1.845 178.509 176.600 0.107 0.000 1.048 1559 K CA 1.433 57.788 56.287 0.113 0.000 0.933 1559 K CB -0.848 31.706 32.500 0.090 0.000 0.721 1559 K HN 0.532 nan 8.250 nan 0.000 0.447 1560 Y N -0.398 119.986 120.300 0.140 0.000 2.241 1560 Y HA -0.141 4.410 4.550 0.001 0.000 0.286 1560 Y C 1.864 177.840 175.900 0.127 0.000 1.166 1560 Y CA 1.126 59.290 58.100 0.106 0.000 1.203 1560 Y CB -0.509 38.001 38.460 0.083 0.000 0.977 1560 Y HN -0.008 nan 8.280 nan 0.000 0.529 1561 L N -0.060 120.786 121.223 -0.628 0.000 2.388 1561 L HA 0.015 4.355 4.340 0.001 0.000 0.209 1561 L C 1.986 178.923 176.870 0.112 0.000 1.061 1561 L CA 1.416 55.990 54.840 -0.445 0.000 0.834 1561 L CB -0.161 41.333 42.059 -0.943 0.000 1.029 1561 L HN 0.522 nan 8.230 nan 0.000 0.473 1562 T N -3.436 111.173 114.554 0.090 0.000 3.014 1562 T HA 0.350 4.701 4.350 0.001 0.000 0.250 1562 T C 1.039 175.918 174.700 0.298 0.000 1.060 1562 T CA 0.373 62.638 62.100 0.275 0.000 1.040 1562 T CB 0.427 69.510 68.868 0.358 0.000 0.971 1562 T HN 0.441 nan 8.240 nan 0.000 0.497 1563 G N 1.476 110.404 108.800 0.213 0.000 2.855 1563 G HA2 -0.163 3.798 3.960 0.001 0.000 0.352 1563 G HA3 -0.163 3.798 3.960 0.001 0.000 0.352 1563 G C -0.776 174.276 174.900 0.253 0.000 1.415 1563 G CA -0.300 44.927 45.100 0.213 0.000 0.871 1563 G HN 0.845 nan 8.290 nan 0.000 0.543 1564 H N 1.622 120.761 119.070 0.115 0.000 2.623 1564 H HA 0.556 5.112 4.556 0.001 0.000 0.299 1564 H C -2.117 173.175 175.328 -0.061 0.000 1.052 1564 H CA -2.469 53.568 56.048 -0.018 0.000 1.231 1564 H CB 1.358 31.064 29.762 -0.092 0.000 1.389 1564 H HN 0.245 nan 8.280 nan 0.000 0.469 1565 P HA 0.114 nan 4.420 nan 0.000 0.220 1565 P C 0.364 177.680 177.300 0.026 0.000 1.806 1565 P CA -0.246 62.792 63.100 -0.103 0.000 0.976 1565 P CB -0.054 31.200 31.700 -0.743 0.000 1.952 1566 K N 0.344 120.791 120.400 0.080 0.000 4.389 1566 K HA -0.330 3.991 4.320 0.001 0.000 0.336 1566 K C 1.897 178.575 176.600 0.129 0.000 0.673 1566 K CA 2.388 58.667 56.287 -0.014 0.000 1.208 1566 K CB -2.179 30.347 32.500 0.043 0.000 0.819 1566 K HN 0.400 nan 8.250 nan 0.000 0.767 1567 G N -0.403 108.406 108.800 0.015 0.000 2.426 1567 G HA2 0.114 4.075 3.960 0.001 0.000 0.214 1567 G HA3 0.114 4.075 3.960 0.001 0.000 0.214 1567 G C 1.316 176.145 174.900 -0.117 0.000 1.156 1567 G CA 0.675 45.745 45.100 -0.050 0.000 0.802 1567 G HN 0.566 nan 8.290 nan 0.000 0.534 1568 A N 0.762 123.458 122.820 -0.206 0.000 2.261 1568 A HA 0.632 4.952 4.320 0.001 0.000 0.208 1568 A C 2.365 179.639 177.584 -0.518 0.000 1.223 1568 A CA 1.238 53.072 52.037 -0.339 0.000 0.833 1568 A CB -0.400 18.348 19.000 -0.419 0.000 0.830 1568 A HN 0.532 nan 8.150 nan 0.000 0.483 1569 A N 0.297 122.922 122.820 -0.325 0.000 1.849 1569 A HA 0.020 4.341 4.320 0.001 0.000 0.217 1569 A C 2.430 179.951 177.584 -0.104 0.000 1.202 1569 A CA 2.013 53.891 52.037 -0.266 0.000 0.629 1569 A CB -1.518 17.368 19.000 -0.189 0.000 0.834 1569 A HN 0.836 nan 8.150 nan 0.000 0.447 1570 G N -0.691 108.085 108.800 -0.039 0.000 2.505 1570 G HA2 -0.107 3.854 3.960 0.001 0.000 0.220 1570 G HA3 -0.107 3.854 3.960 0.001 0.000 0.220 1570 G C 1.766 176.687 174.900 0.035 0.000 1.145 1570 G CA 2.020 47.121 45.100 0.002 0.000 0.761 1570 G HN 0.957 nan 8.290 nan 0.000 0.571 1571 A N 0.054 122.893 122.820 0.032 0.000 1.877 1571 A HA -0.042 4.278 4.320 0.001 0.000 0.216 1571 A C 2.193 179.925 177.584 0.247 0.000 1.186 1571 A CA 1.736 53.844 52.037 0.117 0.000 0.620 1571 A CB -0.705 18.377 19.000 0.135 0.000 0.822 1571 A HN 0.445 nan 8.150 nan 0.000 0.443 1572 W N -0.087 121.220 121.300 0.011 0.000 2.335 1572 W HA -0.169 4.491 4.660 0.001 0.000 0.311 1572 W C 2.539 179.049 176.519 -0.015 0.000 1.213 1572 W CA 1.293 58.641 57.345 0.004 0.000 1.274 1572 W CB -1.187 28.282 29.460 0.015 0.000 1.148 1572 W HN 0.314 nan 8.180 nan 0.000 0.498 1573 M N -0.805 118.927 119.600 0.221 0.000 2.086 1573 M HA -0.205 4.275 4.480 0.001 0.000 0.261 1573 M C 2.191 178.483 176.300 -0.014 0.000 1.067 1573 M CA 1.467 56.821 55.300 0.090 0.000 1.116 1573 M CB -1.235 31.410 32.600 0.074 0.000 1.348 1573 M HN -0.086 nan 8.290 nan 0.000 0.407 1574 L N 1.178 122.402 121.223 0.003 0.000 2.079 1574 L HA -0.226 4.115 4.340 0.001 0.000 0.210 1574 L C 1.891 178.696 176.870 -0.108 0.000 1.081 1574 L CA 1.907 56.720 54.840 -0.046 0.000 0.752 1574 L CB -0.772 41.306 42.059 0.033 0.000 0.896 1574 L HN 0.266 nan 8.230 nan 0.000 0.433 1575 N N -0.179 118.490 118.700 -0.052 0.000 2.084 1575 N HA -0.115 4.625 4.740 0.001 0.000 0.190 1575 N C 1.829 177.238 175.510 -0.168 0.000 1.030 1575 N CA 1.394 54.380 53.050 -0.106 0.000 0.849 1575 N CB -1.034 37.421 38.487 -0.053 0.000 1.012 1575 N HN 0.461 nan 8.380 nan 0.000 0.423 1576 G N 0.505 109.246 108.800 -0.099 0.000 2.491 1576 G HA2 -0.287 3.674 3.960 0.001 0.000 0.218 1576 G HA3 -0.287 3.674 3.960 0.001 0.000 0.218 1576 G C 1.794 176.561 174.900 -0.222 0.000 1.180 1576 G CA 1.239 46.303 45.100 -0.060 0.000 0.774 1576 G HN 0.390 nan 8.290 nan 0.000 0.562 1577 C N 0.442 119.490 119.300 -0.419 0.000 2.436 1577 C HA 0.052 4.512 4.460 0.001 0.000 0.277 1577 C C 2.895 177.523 174.990 -0.605 0.000 1.241 1577 C CA 0.594 59.131 59.018 -0.802 0.000 1.721 1577 C CB -1.199 25.344 27.740 -1.996 0.000 2.043 1577 C HN 0.432 nan 8.230 nan 0.000 0.472 1578 L N 0.375 121.344 121.223 -0.424 0.000 2.189 1578 L HA -0.276 4.065 4.340 0.001 0.000 0.214 1578 L C 2.629 179.390 176.870 -0.182 0.000 1.097 1578 L CA 1.647 56.408 54.840 -0.131 0.000 0.764 1578 L CB -0.866 41.154 42.059 -0.064 0.000 0.900 1578 L HN 0.553 nan 8.230 nan 0.000 0.436 1579 Q N -0.808 118.766 119.800 -0.376 0.000 2.123 1579 Q HA -0.101 4.239 4.340 0.001 0.000 0.196 1579 Q C 2.402 178.036 176.000 -0.610 0.000 0.958 1579 Q CA 0.895 56.290 55.803 -0.681 0.000 0.841 1579 Q CB 0.099 28.079 28.738 -1.263 0.000 0.915 1579 Q HN 0.286 nan 8.270 nan 0.000 0.455 1580 V N 1.266 120.966 119.914 -0.357 0.000 2.255 1580 V HA -0.310 3.811 4.120 0.001 0.000 0.247 1580 V C 2.229 178.324 176.094 0.002 0.000 1.051 1580 V CA 1.654 63.934 62.300 -0.033 0.000 1.018 1580 V CB -0.600 31.247 31.823 0.039 0.000 0.641 1580 V HN 0.424 nan 8.190 nan 0.000 0.445 1581 L N 0.285 121.498 121.223 -0.017 0.000 2.089 1581 L HA -0.274 4.066 4.340 0.001 0.000 0.213 1581 L C 2.249 179.129 176.870 0.017 0.000 1.079 1581 L CA 2.084 56.951 54.840 0.046 0.000 0.758 1581 L CB -0.537 41.530 42.059 0.014 0.000 0.891 1581 L HN 0.513 nan 8.230 nan 0.000 0.433 1582 N N -1.288 117.390 118.700 -0.037 0.000 2.280 1582 N HA -0.054 4.686 4.740 0.001 0.000 0.192 1582 N C 1.194 176.745 175.510 0.068 0.000 1.109 1582 N CA 1.075 54.127 53.050 0.004 0.000 0.855 1582 N CB 0.480 38.946 38.487 -0.034 0.000 0.974 1582 N HN 0.424 nan 8.380 nan 0.000 0.482 1583 T N -5.327 109.280 114.554 0.089 0.000 2.992 1583 T HA 0.242 4.592 4.350 0.001 0.000 0.255 1583 T C 1.251 176.062 174.700 0.184 0.000 0.938 1583 T CA 0.793 62.991 62.100 0.163 0.000 0.895 1583 T CB 0.352 69.372 68.868 0.254 0.000 1.221 1583 T HN 0.027 nan 8.240 nan 0.000 0.512 1584 G N 2.095 110.999 108.800 0.173 0.000 2.175 1584 G HA2 -0.220 3.740 3.960 0.001 0.000 0.265 1584 G HA3 -0.220 3.740 3.960 0.001 0.000 0.265 1584 G C 0.039 174.996 174.900 0.095 0.000 0.979 1584 G CA 0.451 45.642 45.100 0.152 0.000 0.663 1584 G HN 0.735 nan 8.290 nan 0.000 0.533 1585 I N 0.754 121.423 120.570 0.165 0.000 2.342 1585 I HA 0.407 4.577 4.170 0.001 0.000 0.291 1585 I C 0.267 176.489 176.117 0.176 0.000 1.010 1585 I CA -0.864 60.522 61.300 0.143 0.000 1.308 1585 I CB 1.744 39.893 38.000 0.249 0.000 1.400 1585 I HN -0.153 nan 8.210 nan 0.000 0.488 1586 V N 8.573 128.522 119.914 0.058 0.000 2.311 1586 V HA 0.272 4.392 4.120 0.001 0.000 0.275 1586 V C -2.155 173.957 176.094 0.029 0.000 1.022 1586 V CA -1.766 60.573 62.300 0.066 0.000 0.830 1586 V CB 1.046 32.885 31.823 0.026 0.000 1.012 1586 V HN 0.573 nan 8.190 nan 0.000 0.452 1587 P HA 0.239 nan 4.420 nan 0.000 0.269 1587 P C 0.285 177.601 177.300 0.027 0.000 1.215 1587 P CA 0.280 63.368 63.100 -0.021 0.000 0.780 1587 P CB 0.719 32.395 31.700 -0.039 0.000 0.898 1588 G N 0.842 109.640 108.800 -0.004 0.000 2.434 1588 G HA2 0.214 4.175 3.960 0.001 0.000 0.330 1588 G HA3 0.214 4.175 3.960 0.001 0.000 0.330 1588 G C -0.562 174.289 174.900 -0.082 0.000 1.155 1588 G CA -0.772 44.322 45.100 -0.010 0.000 0.917 1588 G HN 0.598 nan 8.290 nan 0.000 0.493 1589 N N 0.924 119.567 118.700 -0.095 0.000 2.739 1589 N HA 0.040 4.781 4.740 0.001 0.000 0.266 1589 N C 1.517 176.666 175.510 -0.601 0.000 1.168 1589 N CA -0.426 52.386 53.050 -0.397 0.000 1.055 1589 N CB 0.150 38.668 38.487 0.052 0.000 1.393 1589 N HN 0.470 nan 8.380 nan 0.000 0.514 1590 R N 1.182 121.132 120.500 -0.916 0.000 2.154 1590 R HA -0.139 4.201 4.340 0.001 0.000 0.248 1590 R C 0.605 176.692 176.300 -0.354 0.000 1.155 1590 R CA 1.372 57.169 56.100 -0.504 0.000 0.979 1590 R CB -0.054 30.035 30.300 -0.353 0.000 0.869 1590 R HN 0.538 nan 8.270 nan 0.000 0.452 1591 N N 0.187 118.647 118.700 -0.400 0.000 2.362 1591 N HA 0.060 4.800 4.740 0.001 0.000 0.204 1591 N C -0.549 174.898 175.510 -0.104 0.000 1.166 1591 N CA 0.247 53.207 53.050 -0.151 0.000 0.831 1591 N CB 0.828 39.301 38.487 -0.024 0.000 1.008 1591 N HN 0.135 nan 8.380 nan 0.000 0.472 1592 A N 0.649 123.400 122.820 -0.115 0.000 3.048 1592 A HA 0.028 4.348 4.320 0.001 0.000 0.264 1592 A C 1.130 178.762 177.584 0.080 0.000 1.796 1592 A CA -0.338 51.701 52.037 0.003 0.000 1.445 1592 A CB -0.316 18.763 19.000 0.130 0.000 1.074 1592 A HN 0.047 nan 8.150 nan 0.000 0.621 1593 D N 0.941 121.381 120.400 0.067 0.000 2.549 1593 D HA -0.217 4.423 4.640 0.001 0.000 0.199 1593 D C 0.507 176.993 176.300 0.310 0.000 1.034 1593 D CA 2.098 56.211 54.000 0.188 0.000 0.880 1593 D CB 0.095 40.978 40.800 0.138 0.000 1.044 1593 D HN 0.685 nan 8.370 nan 0.000 0.469 1594 N N -1.237 117.610 118.700 0.245 0.000 2.905 1594 N HA 0.117 4.858 4.740 0.001 0.000 0.255 1594 N C -1.660 173.884 175.510 0.057 0.000 1.199 1594 N CA -0.232 52.984 53.050 0.276 0.000 0.911 1594 N CB 1.260 39.883 38.487 0.228 0.000 1.550 1594 N HN -0.235 nan 8.380 nan 0.000 0.599 1595 V N 1.797 121.655 119.914 -0.092 0.000 2.673 1595 V HA 0.032 4.153 4.120 0.001 0.000 0.303 1595 V C 0.784 176.830 176.094 -0.079 0.000 1.046 1595 V CA -0.004 62.156 62.300 -0.233 0.000 1.126 1595 V CB 0.462 31.994 31.823 -0.486 0.000 0.934 1595 V HN 0.647 nan 8.190 nan 0.000 0.487 1596 D N 4.286 124.643 120.400 -0.071 0.000 2.493 1596 D HA -0.016 4.625 4.640 0.001 0.000 0.240 1596 D C 1.237 177.622 176.300 0.142 0.000 1.142 1596 D CA 0.005 54.014 54.000 0.015 0.000 0.872 1596 D CB 0.811 41.594 40.800 -0.028 0.000 1.173 1596 D HN 0.414 nan 8.370 nan 0.000 0.467 1597 K N 2.797 123.288 120.400 0.152 0.000 2.228 1597 K HA -0.112 4.208 4.320 0.001 0.000 0.205 1597 K C 1.847 178.452 176.600 0.008 0.000 1.045 1597 K CA 0.659 57.035 56.287 0.148 0.000 0.931 1597 K CB -0.280 32.266 32.500 0.078 0.000 0.727 1597 K HN 0.376 nan 8.250 nan 0.000 0.458 1598 V N 1.445 121.372 119.914 0.022 0.000 2.392 1598 V HA -0.245 3.876 4.120 0.001 0.000 0.249 1598 V C 2.171 178.268 176.094 0.005 0.000 1.059 1598 V CA 1.480 63.776 62.300 -0.006 0.000 1.051 1598 V CB -0.511 31.350 31.823 0.063 0.000 0.658 1598 V HN 0.298 nan 8.190 nan 0.000 0.455 1599 M N -0.356 119.349 119.600 0.175 0.000 2.686 1599 M HA -0.039 4.441 4.480 0.001 0.000 0.246 1599 M C 1.900 178.328 176.300 0.214 0.000 1.096 1599 M CA 0.923 56.489 55.300 0.442 0.000 1.076 1599 M CB -1.141 31.598 32.600 0.233 0.000 1.504 1599 M HN 0.537 nan 8.290 nan 0.000 0.524 1600 E N 1.462 121.431 120.200 -0.386 0.000 2.076 1600 E HA -0.192 4.158 4.350 0.001 0.000 0.190 1600 E C 1.981 178.211 176.600 -0.616 0.000 0.979 1600 E CA 0.802 56.548 56.400 -1.090 0.000 0.807 1600 E CB 0.076 28.907 29.700 -1.449 0.000 0.761 1600 E HN 0.678 nan 8.360 nan 0.000 0.454 1601 Q N -0.079 119.367 119.800 -0.590 0.000 2.508 1601 Q HA -0.124 4.217 4.340 0.001 0.000 0.214 1601 Q C -0.345 175.331 176.000 -0.540 0.000 0.979 1601 Q CA 0.578 56.032 55.803 -0.582 0.000 0.911 1601 Q CB -0.202 28.146 28.738 -0.651 0.000 0.969 1601 Q HN 0.154 nan 8.270 nan 0.000 0.504 1602 F N 2.866 122.803 119.950 -0.022 0.000 2.384 1602 F HA 0.233 4.760 4.527 0.001 0.000 0.359 1602 F C 0.462 176.277 175.800 0.025 0.000 1.143 1602 F CA -1.196 56.848 58.000 0.073 0.000 1.216 1602 F CB 0.667 39.760 39.000 0.156 0.000 1.512 1602 F HN -0.037 nan 8.300 nan 0.000 0.573 1603 D N 1.067 121.514 120.400 0.079 0.000 2.123 1603 D HA -0.264 4.377 4.640 0.001 0.000 0.196 1603 D C 1.569 177.792 176.300 -0.129 0.000 0.992 1603 D CA 1.837 55.764 54.000 -0.122 0.000 0.833 1603 D CB -0.352 40.251 40.800 -0.327 0.000 0.954 1603 D HN 0.489 nan 8.370 nan 0.000 0.455 1604 Y N 0.650 120.983 120.300 0.055 0.000 2.616 1604 Y HA 0.139 4.689 4.550 0.001 0.000 0.296 1604 Y C 1.103 177.004 175.900 0.002 0.000 1.154 1604 Y CA 0.116 58.235 58.100 0.031 0.000 1.325 1604 Y CB -0.062 38.424 38.460 0.044 0.000 1.007 1604 Y HN -0.111 nan 8.280 nan 0.000 0.542 1605 I N 0.065 120.682 120.570 0.078 0.000 2.433 1605 I HA 0.369 4.540 4.170 0.001 0.000 0.292 1605 I C -0.975 174.921 176.117 -0.369 0.000 1.001 1605 I CA -0.958 60.261 61.300 -0.135 0.000 1.119 1605 I CB 2.094 39.980 38.000 -0.190 0.000 1.289 1605 I HN -0.381 nan 8.210 nan 0.000 0.438 1606 V N 7.329 127.004 119.914 -0.398 0.000 2.487 1606 V HA 0.415 4.535 4.120 0.001 0.000 0.298 1606 V C -1.185 174.690 176.094 -0.366 0.000 1.028 1606 V CA -0.424 61.641 62.300 -0.392 0.000 0.860 1606 V CB 1.745 33.373 31.823 -0.326 0.000 0.991 1606 V HN 0.475 nan 8.190 nan 0.000 0.427 1607 Y N 7.163 127.456 120.300 -0.010 0.000 2.518 1607 Y HA 0.489 5.040 4.550 0.001 0.000 0.344 1607 Y C -2.202 173.746 175.900 0.080 0.000 0.982 1607 Y CA -3.170 54.971 58.100 0.069 0.000 1.234 1607 Y CB 0.555 39.050 38.460 0.058 0.000 1.114 1607 Y HN 0.481 nan 8.280 nan 0.000 0.515 1608 P HA 0.102 nan 4.420 nan 0.000 0.281 1608 P C 0.484 177.913 177.300 0.217 0.000 1.252 1608 P CA -0.314 62.910 63.100 0.206 0.000 0.778 1608 P CB 1.499 33.265 31.700 0.109 0.000 0.895 1609 S N 2.967 118.806 115.700 0.232 0.000 2.556 1609 S HA 0.129 4.600 4.470 0.001 0.000 0.216 1609 S C 0.535 175.072 174.600 -0.104 0.000 0.970 1609 S CA -0.282 57.940 58.200 0.036 0.000 0.912 1609 S CB -0.316 62.785 63.200 -0.164 0.000 0.790 1609 S HN 0.517 nan 8.310 nan 0.000 0.504 1610 R N -0.474 119.990 120.500 -0.061 0.000 2.774 1610 R HA 0.695 5.035 4.340 0.001 0.000 0.272 1610 R C -1.140 175.119 176.300 -0.069 0.000 1.000 1610 R CA -0.737 55.303 56.100 -0.100 0.000 0.906 1610 R CB 0.706 30.929 30.300 -0.129 0.000 1.227 1610 R HN -0.050 nan 8.270 nan 0.000 0.468 1611 S N 0.723 116.364 115.700 -0.098 0.000 2.572 1611 S HA 0.323 4.793 4.470 0.001 0.000 0.279 1611 S C 0.014 174.554 174.600 -0.100 0.000 1.341 1611 S CA -0.218 57.923 58.200 -0.097 0.000 1.043 1611 S CB 0.171 63.288 63.200 -0.138 0.000 0.887 1611 S HN 0.354 nan 8.310 nan 0.000 0.516 1612 I N 2.528 123.039 120.570 -0.097 0.000 2.439 1612 I HA 0.274 4.445 4.170 0.001 0.000 0.285 1612 I C -0.449 175.545 176.117 -0.205 0.000 1.021 1612 I CA -0.824 60.395 61.300 -0.135 0.000 1.091 1612 I CB 1.808 39.742 38.000 -0.110 0.000 1.242 1612 I HN 0.369 nan 8.210 nan 0.000 0.439 1613 K N 5.656 125.897 120.400 -0.265 0.000 2.312 1613 K HA 0.399 4.719 4.320 0.001 0.000 0.287 1613 K C -0.156 176.161 176.600 -0.471 0.000 1.062 1613 K CA -0.075 56.005 56.287 -0.345 0.000 0.934 1613 K CB 0.713 32.938 32.500 -0.458 0.000 1.027 1613 K HN 0.685 nan 8.250 nan 0.000 0.478 1614 T N 0.012 114.361 114.554 -0.342 0.000 2.927 1614 T HA 0.272 4.623 4.350 0.001 0.000 0.286 1614 T C 0.540 175.503 174.700 0.439 0.000 1.040 1614 T CA -0.455 61.437 62.100 -0.346 0.000 1.010 1614 T CB 1.025 69.548 68.868 -0.575 0.000 1.177 1614 T HN 0.560 nan 8.240 nan 0.000 0.546 1615 D N -0.574 120.282 120.400 0.759 0.000 2.310 1615 D HA 0.296 4.937 4.640 0.001 0.000 0.212 1615 D C 1.048 177.593 176.300 0.409 0.000 0.965 1615 D CA 0.793 55.168 54.000 0.625 0.000 0.879 1615 D CB -0.531 40.604 40.800 0.558 0.000 0.921 1615 D HN 1.165 nan 8.370 nan 0.000 0.510 1616 G N -0.169 108.834 108.800 0.339 0.000 2.350 1616 G HA2 0.364 4.325 3.960 0.001 0.000 0.305 1616 G HA3 0.364 4.325 3.960 0.001 0.000 0.305 1616 G C -1.559 173.482 174.900 0.234 0.000 1.479 1616 G CA -0.523 44.733 45.100 0.259 0.000 0.949 1616 G HN 0.292 nan 8.290 nan 0.000 0.651 1617 I N -1.747 118.960 120.570 0.228 0.000 2.569 1617 I HA 0.669 4.839 4.170 0.001 0.000 0.296 1617 I C 0.309 176.553 176.117 0.211 0.000 1.028 1617 I CA -1.267 60.155 61.300 0.203 0.000 1.082 1617 I CB 1.650 39.759 38.000 0.183 0.000 1.264 1617 I HN 0.714 nan 8.210 nan 0.000 0.429 1618 K N 3.434 123.912 120.400 0.130 0.000 2.190 1618 K HA 0.571 4.892 4.320 0.001 0.000 0.202 1618 K C 0.517 177.058 176.600 -0.097 0.000 1.045 1618 K CA 0.827 57.125 56.287 0.018 0.000 0.976 1618 K CB 0.442 32.924 32.500 -0.030 0.000 0.849 1618 K HN 0.829 nan 8.250 nan 0.000 0.468 1619 A N 0.930 123.706 122.820 -0.074 0.000 2.515 1619 A HA 0.635 4.955 4.320 0.001 0.000 0.298 1619 A C -1.328 176.226 177.584 -0.049 0.000 1.059 1619 A CA -0.815 51.115 52.037 -0.179 0.000 0.698 1619 A CB 0.852 19.695 19.000 -0.262 0.000 1.289 1619 A HN 0.191 nan 8.150 nan 0.000 0.404 1620 F N -0.179 119.717 119.950 -0.090 0.000 2.611 1620 F HA 0.882 5.410 4.527 0.001 0.000 0.324 1620 F C -0.103 175.635 175.800 -0.102 0.000 1.061 1620 F CA -1.116 56.839 58.000 -0.074 0.000 0.954 1620 F CB 1.850 40.816 39.000 -0.056 0.000 1.301 1620 F HN 0.571 nan 8.300 nan 0.000 0.482 1621 S N 2.322 118.159 115.700 0.228 0.000 2.774 1621 S HA 0.611 5.081 4.470 0.001 0.000 0.297 1621 S C -1.075 173.575 174.600 0.083 0.000 1.143 1621 S CA -0.477 57.767 58.200 0.072 0.000 1.090 1621 S CB 0.398 63.554 63.200 -0.074 0.000 1.019 1621 S HN 1.384 nan 8.310 nan 0.000 0.482 1622 V N 3.354 123.353 119.914 0.141 0.000 2.607 1622 V HA 0.933 5.054 4.120 0.001 0.000 0.289 1622 V C -0.312 175.726 176.094 -0.094 0.000 1.053 1622 V CA -0.182 62.128 62.300 0.016 0.000 0.996 1622 V CB 0.948 32.805 31.823 0.058 0.000 0.995 1622 V HN 0.906 nan 8.190 nan 0.000 0.476 1623 T N 2.201 116.675 114.554 -0.134 0.000 2.991 1623 T HA 0.712 5.063 4.350 0.001 0.000 0.303 1623 T C -0.388 174.210 174.700 -0.169 0.000 1.015 1623 T CA -0.179 61.791 62.100 -0.217 0.000 1.007 1623 T CB 1.150 69.876 68.868 -0.236 0.000 1.034 1623 T HN 1.392 nan 8.240 nan 0.000 0.446 1624 S N 1.674 117.142 115.700 -0.387 0.000 2.599 1624 S HA 0.917 5.388 4.470 0.001 0.000 0.287 1624 S C -1.374 172.736 174.600 -0.816 0.000 1.105 1624 S CA -0.914 56.953 58.200 -0.556 0.000 0.899 1624 S CB 1.212 64.183 63.200 -0.382 0.000 1.100 1624 S HN 0.520 nan 8.310 nan 0.000 0.482 1625 F N -0.154 119.281 119.950 -0.858 0.000 2.588 1625 F HA 0.872 5.400 4.527 0.001 0.000 0.314 1625 F C 0.757 176.394 175.800 -0.270 0.000 1.069 1625 F CA -0.359 57.403 58.000 -0.397 0.000 0.931 1625 F CB 2.399 41.260 39.000 -0.232 0.000 1.260 1625 F HN 1.066 nan 8.300 nan 0.000 0.465 1626 G N 0.214 109.056 108.800 0.070 0.000 2.733 1626 G HA2 0.607 4.567 3.960 0.001 0.000 0.288 1626 G HA3 0.607 4.567 3.960 0.001 0.000 0.288 1626 G C -1.722 173.265 174.900 0.145 0.000 1.373 1626 G CA -0.774 44.417 45.100 0.151 0.000 0.895 1626 G HN 0.274 nan 8.290 nan 0.000 0.479 1627 F N 0.543 120.543 119.950 0.084 0.000 2.553 1627 F HA 0.396 4.924 4.527 0.001 0.000 0.356 1627 F C 1.517 177.350 175.800 0.055 0.000 1.142 1627 F CA 1.489 59.538 58.000 0.082 0.000 1.322 1627 F CB 0.931 39.988 39.000 0.096 0.000 1.126 1627 F HN 0.986 nan 8.300 nan 0.000 0.599 1628 G N 2.555 111.460 108.800 0.175 0.000 2.298 1628 G HA2 -0.303 3.657 3.960 0.001 0.000 0.287 1628 G HA3 -0.303 3.657 3.960 0.001 0.000 0.287 1628 G C 0.095 175.037 174.900 0.069 0.000 1.075 1628 G CA 0.141 45.310 45.100 0.114 0.000 0.960 1628 G HN 0.837 nan 8.290 nan 0.000 0.502 1629 Q N -2.319 117.510 119.800 0.048 0.000 2.451 1629 Q HA -0.234 4.106 4.340 0.001 0.000 0.305 1629 Q C 0.504 176.523 176.000 0.031 0.000 1.345 1629 Q CA 1.575 57.401 55.803 0.040 0.000 0.854 1629 Q CB -0.726 28.030 28.738 0.030 0.000 1.162 1629 Q HN 0.612 nan 8.270 nan 0.000 0.440 1630 K N 0.909 121.330 120.400 0.034 0.000 2.385 1630 K HA 0.375 4.695 4.320 0.001 0.000 0.229 1630 K C -0.061 176.492 176.600 -0.078 0.000 1.089 1630 K CA 0.101 56.385 56.287 -0.005 0.000 1.060 1630 K CB 0.651 33.166 32.500 0.024 0.000 1.698 1630 K HN 0.322 nan 8.250 nan 0.000 0.469 1631 G N 1.110 109.831 108.800 -0.131 0.000 2.322 1631 G HA2 0.666 4.627 3.960 0.001 0.000 0.309 1631 G HA3 0.666 4.627 3.960 0.001 0.000 0.309 1631 G C -0.999 173.674 174.900 -0.377 0.000 1.121 1631 G CA -0.470 44.411 45.100 -0.365 0.000 0.886 1631 G HN 0.547 nan 8.290 nan 0.000 0.447 1632 A N 2.121 124.642 122.820 -0.498 0.000 2.469 1632 A HA 0.907 5.227 4.320 0.001 0.000 0.299 1632 A C -0.639 176.715 177.584 -0.384 0.000 1.098 1632 A CA -0.756 51.074 52.037 -0.346 0.000 0.737 1632 A CB 2.222 21.079 19.000 -0.238 0.000 1.312 1632 A HN 0.802 nan 8.150 nan 0.000 0.414 1633 Q N 0.179 119.817 119.800 -0.270 0.000 2.353 1633 Q HA 0.654 4.994 4.340 0.001 0.000 0.275 1633 Q C -1.674 174.213 176.000 -0.188 0.000 1.029 1633 Q CA -0.612 55.049 55.803 -0.237 0.000 0.848 1633 Q CB 2.172 30.767 28.738 -0.239 0.000 1.390 1633 Q HN 1.586 nan 8.270 nan 0.000 0.401 1634 A N 4.117 126.844 122.820 -0.155 0.000 2.414 1634 A HA 0.742 5.063 4.320 0.001 0.000 0.306 1634 A C -1.277 176.203 177.584 -0.173 0.000 1.054 1634 A CA -0.649 51.292 52.037 -0.160 0.000 0.724 1634 A CB 1.272 20.207 19.000 -0.109 0.000 1.267 1634 A HN 0.602 nan 8.150 nan 0.000 0.418 1635 I N 2.065 122.472 120.570 -0.272 0.000 2.378 1635 I HA 0.519 4.690 4.170 0.001 0.000 0.291 1635 I C 0.627 176.386 176.117 -0.596 0.000 0.992 1635 I CA -0.243 60.819 61.300 -0.397 0.000 1.154 1635 I CB 0.996 38.800 38.000 -0.327 0.000 1.315 1635 I HN 0.739 nan 8.210 nan 0.000 0.448 1636 G N 5.389 113.463 108.800 -1.210 0.000 2.415 1636 G HA2 0.619 4.580 3.960 0.001 0.000 0.327 1636 G HA3 0.619 4.580 3.960 0.001 0.000 0.327 1636 G C -0.950 173.344 174.900 -1.009 0.000 1.182 1636 G CA -0.335 43.984 45.100 -1.302 0.000 0.924 1636 G HN 0.327 nan 8.290 nan 0.000 0.470 1637 V N 2.230 121.769 119.914 -0.626 0.000 2.715 1637 V HA 0.326 4.447 4.120 0.001 0.000 0.310 1637 V C -0.065 175.799 176.094 -0.384 0.000 1.054 1637 V CA -1.103 60.873 62.300 -0.541 0.000 0.928 1637 V CB 1.779 33.178 31.823 -0.707 0.000 1.007 1637 V HN 0.822 nan 8.190 nan 0.000 0.437 1638 H N 5.525 124.372 119.070 -0.372 0.000 2.964 1638 H HA 0.104 4.661 4.556 0.001 0.000 0.328 1638 H C -1.796 173.463 175.328 -0.115 0.000 1.030 1638 H CA -1.320 54.643 56.048 -0.141 0.000 1.445 1638 H CB 1.794 31.556 29.762 0.000 0.000 1.449 1638 H HN 0.336 nan 8.280 nan 0.000 0.581 1639 P HA -0.293 nan 4.420 nan 0.000 0.219 1639 P C 1.427 178.768 177.300 0.069 0.000 1.161 1639 P CA 3.012 66.087 63.100 -0.042 0.000 0.909 1639 P CB 0.102 31.841 31.700 0.064 0.000 0.793 1640 K N -1.333 119.427 120.400 0.600 0.000 2.077 1640 K HA -0.267 4.053 4.320 0.001 0.000 0.213 1640 K C 1.908 178.663 176.600 0.259 0.000 1.051 1640 K CA 2.076 58.641 56.287 0.465 0.000 0.929 1640 K CB -1.728 30.881 32.500 0.181 0.000 0.715 1640 K HN 0.111 nan 8.250 nan 0.000 0.451 1641 Y N 0.974 121.299 120.300 0.043 0.000 2.315 1641 Y HA -0.148 4.402 4.550 0.001 0.000 0.288 1641 Y C 2.312 178.331 175.900 0.199 0.000 1.154 1641 Y CA 1.121 59.278 58.100 0.094 0.000 1.229 1641 Y CB -0.571 37.912 38.460 0.038 0.000 0.980 1641 Y HN 0.157 nan 8.280 nan 0.000 0.540 1642 L N -1.296 119.950 121.223 0.038 0.000 2.044 1642 L HA -0.129 4.212 4.340 0.001 0.000 0.205 1642 L C 1.906 178.875 176.870 0.166 0.000 1.075 1642 L CA 1.562 56.486 54.840 0.141 0.000 0.747 1642 L CB -0.785 41.111 42.059 -0.272 0.000 0.903 1642 L HN 0.015 nan 8.230 nan 0.000 0.435 1643 F N 0.761 120.863 119.950 0.253 0.000 2.202 1643 F HA -0.133 4.395 4.527 0.001 0.000 0.301 1643 F C 2.503 178.452 175.800 0.248 0.000 1.082 1643 F CA 0.836 58.999 58.000 0.272 0.000 1.313 1643 F CB -1.575 37.601 39.000 0.294 0.000 1.024 1643 F HN 0.225 nan 8.300 nan 0.000 0.495 1644 A N -0.965 122.047 122.820 0.320 0.000 2.264 1644 A HA -0.041 4.279 4.320 0.001 0.000 0.207 1644 A C 2.052 179.768 177.584 0.219 0.000 1.196 1644 A CA 1.443 53.593 52.037 0.188 0.000 0.778 1644 A CB -1.097 17.916 19.000 0.022 0.000 0.779 1644 A HN 0.327 nan 8.150 nan 0.000 0.483 1645 T N 0.169 114.884 114.554 0.269 0.000 3.035 1645 T HA 0.210 4.561 4.350 0.001 0.000 0.259 1645 T C 0.769 175.591 174.700 0.203 0.000 1.078 1645 T CA 0.377 62.598 62.100 0.202 0.000 1.132 1645 T CB -0.236 68.745 68.868 0.190 0.000 0.900 1645 T HN 0.397 nan 8.240 nan 0.000 0.480 1646 L N 1.056 122.444 121.223 0.275 0.000 2.448 1646 L HA 0.476 4.816 4.340 0.001 0.000 0.258 1646 L C -0.216 176.793 176.870 0.231 0.000 1.104 1646 L CA -1.210 53.772 54.840 0.236 0.000 0.800 1646 L CB 0.346 42.567 42.059 0.271 0.000 1.241 1646 L HN -0.019 nan 8.230 nan 0.000 0.472 1647 D N -0.220 120.239 120.400 0.098 0.000 2.210 1647 D HA 0.070 4.711 4.640 0.001 0.000 0.249 1647 D C 0.657 176.760 176.300 -0.328 0.000 1.062 1647 D CA -0.449 53.547 54.000 -0.007 0.000 0.891 1647 D CB 1.707 42.501 40.800 -0.010 0.000 1.186 1647 D HN 0.473 nan 8.370 nan 0.000 0.432 1648 K N 1.456 121.347 120.400 -0.848 0.000 2.293 1648 K HA -0.270 4.050 4.320 0.001 0.000 0.204 1648 K C 1.459 177.737 176.600 -0.537 0.000 1.045 1648 K CA 1.502 56.948 56.287 -1.401 0.000 0.933 1648 K CB 0.004 31.547 32.500 -1.595 0.000 0.736 1648 K HN 0.428 nan 8.250 nan 0.000 0.463 1649 A N 1.237 123.884 122.820 -0.287 0.000 1.845 1649 A HA -0.236 4.084 4.320 0.001 0.000 0.215 1649 A C 2.076 179.607 177.584 -0.089 0.000 1.195 1649 A CA 1.734 53.687 52.037 -0.140 0.000 0.616 1649 A CB -0.589 18.366 19.000 -0.075 0.000 0.832 1649 A HN 0.554 nan 8.150 nan 0.000 0.443 1650 Q N -1.882 117.888 119.800 -0.050 0.000 1.967 1650 Q HA -0.205 4.135 4.340 0.001 0.000 0.202 1650 Q C 2.134 178.161 176.000 0.044 0.000 0.985 1650 Q CA 1.756 57.570 55.803 0.018 0.000 0.839 1650 Q CB -0.566 28.209 28.738 0.060 0.000 0.906 1650 Q HN 0.775 nan 8.270 nan 0.000 0.423 1651 Y N 1.768 122.018 120.300 -0.083 0.000 2.139 1651 Y HA -0.323 4.228 4.550 0.001 0.000 0.282 1651 Y C 2.104 177.993 175.900 -0.018 0.000 1.179 1651 Y CA 2.115 60.190 58.100 -0.043 0.000 1.161 1651 Y CB -0.022 38.380 38.460 -0.098 0.000 0.970 1651 Y HN 0.146 nan 8.280 nan 0.000 0.511 1652 E N -0.590 119.578 120.200 -0.053 0.000 2.285 1652 E HA -0.067 4.283 4.350 0.001 0.000 0.194 1652 E C 2.206 178.738 176.600 -0.113 0.000 0.997 1652 E CA 0.602 56.942 56.400 -0.100 0.000 0.845 1652 E CB -0.181 29.472 29.700 -0.078 0.000 0.782 1652 E HN 0.596 nan 8.360 nan 0.000 0.491 1653 A N 0.342 123.122 122.820 -0.066 0.000 1.898 1653 A HA -0.194 4.127 4.320 0.001 0.000 0.216 1653 A C 1.977 179.537 177.584 -0.039 0.000 1.181 1653 A CA 1.283 53.297 52.037 -0.038 0.000 0.620 1653 A CB -0.760 18.239 19.000 -0.002 0.000 0.819 1653 A HN 0.542 nan 8.150 nan 0.000 0.442 1654 Y N 0.216 120.417 120.300 -0.165 0.000 2.181 1654 Y HA -0.267 4.283 4.550 0.001 0.000 0.288 1654 Y C 2.393 178.160 175.900 -0.222 0.000 1.146 1654 Y CA 1.620 59.617 58.100 -0.171 0.000 1.164 1654 Y CB -0.871 37.485 38.460 -0.173 0.000 0.982 1654 Y HN 0.327 nan 8.280 nan 0.000 0.515 1655 C N -0.224 118.795 119.300 -0.468 0.000 2.410 1655 C HA -0.156 4.305 4.460 0.001 0.000 0.281 1655 C C 2.705 177.493 174.990 -0.336 0.000 1.318 1655 C CA 1.132 59.839 59.018 -0.518 0.000 1.776 1655 C CB -1.311 26.189 27.740 -0.400 0.000 1.942 1655 C HN 0.570 nan 8.230 nan 0.000 0.508 1656 V N 0.564 120.336 119.914 -0.236 0.000 2.488 1656 V HA -0.153 3.968 4.120 0.001 0.000 0.246 1656 V C 2.376 178.379 176.094 -0.153 0.000 1.046 1656 V CA 1.562 63.770 62.300 -0.153 0.000 1.053 1656 V CB -0.582 31.181 31.823 -0.100 0.000 0.679 1656 V HN 0.535 nan 8.190 nan 0.000 0.458 1657 K N 0.221 120.512 120.400 -0.182 0.000 1.991 1657 K HA -0.170 4.151 4.320 0.001 0.000 0.212 1657 K C 2.154 178.655 176.600 -0.165 0.000 1.049 1657 K CA 1.771 57.968 56.287 -0.150 0.000 0.932 1657 K CB -0.629 31.786 32.500 -0.141 0.000 0.717 1657 K HN 0.274 nan 8.250 nan 0.000 0.441 1658 V N 1.811 121.530 119.914 -0.324 0.000 2.231 1658 V HA -0.340 3.780 4.120 0.001 0.000 0.250 1658 V C 2.243 178.342 176.094 0.008 0.000 1.058 1658 V CA 1.959 64.147 62.300 -0.188 0.000 1.022 1658 V CB -0.538 31.042 31.823 -0.405 0.000 0.640 1658 V HN 0.409 nan 8.190 nan 0.000 0.445 1659 Q N -0.804 118.946 119.800 -0.083 0.000 2.364 1659 Q HA -0.121 4.220 4.340 0.001 0.000 0.209 1659 Q C 2.253 178.203 176.000 -0.082 0.000 0.977 1659 Q CA 1.344 57.100 55.803 -0.078 0.000 0.885 1659 Q CB -0.314 28.369 28.738 -0.093 0.000 0.941 1659 Q HN 0.730 nan 8.270 nan 0.000 0.464 1660 A N 1.086 123.869 122.820 -0.062 0.000 1.872 1660 A HA -0.132 4.188 4.320 0.001 0.000 0.214 1660 A C 1.973 179.541 177.584 -0.026 0.000 1.187 1660 A CA 0.809 52.817 52.037 -0.048 0.000 0.614 1660 A CB -0.268 18.708 19.000 -0.040 0.000 0.826 1660 A HN 0.156 nan 8.150 nan 0.000 0.442 1661 R N -0.794 119.724 120.500 0.031 0.000 2.094 1661 R HA -0.203 4.138 4.340 0.001 0.000 0.239 1661 R C 2.526 178.846 176.300 0.033 0.000 1.137 1661 R CA 1.730 57.895 56.100 0.107 0.000 0.943 1661 R CB -0.410 30.055 30.300 0.276 0.000 0.850 1661 R HN 0.647 nan 8.270 nan 0.000 0.433 1662 Q N 1.284 120.985 119.800 -0.165 0.000 2.152 1662 Q HA -0.219 4.122 4.340 0.001 0.000 0.206 1662 Q C 1.621 177.458 176.000 -0.271 0.000 0.985 1662 Q CA 1.819 57.199 55.803 -0.705 0.000 0.863 1662 Q CB 0.024 28.222 28.738 -0.901 0.000 0.904 1662 Q HN 0.250 nan 8.270 nan 0.000 0.422 1663 K N -0.057 120.252 120.400 -0.152 0.000 2.103 1663 K HA -0.086 4.235 4.320 0.001 0.000 0.204 1663 K C 2.236 178.846 176.600 0.017 0.000 1.052 1663 K CA 1.140 57.377 56.287 -0.083 0.000 0.945 1663 K CB 0.130 32.570 32.500 -0.101 0.000 0.722 1663 K HN 0.106 nan 8.250 nan 0.000 0.443 1664 K N 0.382 120.781 120.400 -0.002 0.000 2.002 1664 K HA -0.102 4.218 4.320 0.001 0.000 0.209 1664 K C 2.193 178.824 176.600 0.051 0.000 1.048 1664 K CA 1.352 57.653 56.287 0.023 0.000 0.930 1664 K CB -0.237 32.256 32.500 -0.011 0.000 0.714 1664 K HN 0.108 nan 8.250 nan 0.000 0.438 1665 A N 1.132 123.944 122.820 -0.014 0.000 1.869 1665 A HA -0.278 4.043 4.320 0.001 0.000 0.218 1665 A C 2.117 179.658 177.584 -0.072 0.000 1.203 1665 A CA 1.941 53.911 52.037 -0.111 0.000 0.638 1665 A CB -1.206 17.626 19.000 -0.281 0.000 0.831 1665 A HN 0.497 nan 8.150 nan 0.000 0.450 1666 Y N 0.492 120.711 120.300 -0.135 0.000 2.102 1666 Y HA -0.352 4.199 4.550 0.001 0.000 0.280 1666 Y C 2.581 178.592 175.900 0.185 0.000 1.178 1666 Y CA 2.778 60.918 58.100 0.066 0.000 1.146 1666 Y CB -0.324 38.153 38.460 0.027 0.000 0.968 1666 Y HN 0.361 nan 8.280 nan 0.000 0.504 1667 R N -0.717 119.978 120.500 0.325 0.000 2.080 1667 R HA -0.225 4.116 4.340 0.001 0.000 0.236 1667 R C 2.220 178.627 176.300 0.179 0.000 1.137 1667 R CA 1.908 58.144 56.100 0.226 0.000 0.943 1667 R CB -0.870 29.550 30.300 0.199 0.000 0.846 1667 R HN 0.446 nan 8.270 nan 0.000 0.431 1668 F N 0.893 120.856 119.950 0.021 0.000 2.046 1668 F HA -0.237 4.290 4.527 0.001 0.000 0.297 1668 F C 1.993 177.791 175.800 -0.002 0.000 1.123 1668 F CA 1.714 59.711 58.000 -0.004 0.000 1.199 1668 F CB -1.109 37.876 39.000 -0.025 0.000 0.972 1668 F HN 0.092 nan 8.300 nan 0.000 0.474 1669 F N 0.421 120.281 119.950 -0.151 0.000 2.115 1669 F HA -0.332 4.195 4.527 0.001 0.000 0.300 1669 F C 2.788 178.394 175.800 -0.323 0.000 1.092 1669 F CA 2.499 60.353 58.000 -0.243 0.000 1.245 1669 F CB -0.774 38.191 39.000 -0.060 0.000 0.995 1669 F HN 0.119 nan 8.300 nan 0.000 0.481 1670 H N -0.750 118.205 119.070 -0.192 0.000 2.428 1670 H HA -0.108 4.449 4.556 0.001 0.000 0.296 1670 H C 1.974 177.099 175.328 -0.339 0.000 1.062 1670 H CA 1.372 57.235 56.048 -0.308 0.000 1.350 1670 H CB -0.428 29.169 29.762 -0.275 0.000 1.403 1670 H HN 0.338 nan 8.280 nan 0.000 0.533 1671 N N 0.654 119.256 118.700 -0.163 0.000 2.058 1671 N HA -0.118 4.622 4.740 0.001 0.000 0.191 1671 N C 2.253 177.588 175.510 -0.293 0.000 1.037 1671 N CA 1.734 54.677 53.050 -0.179 0.000 0.848 1671 N CB -0.652 37.772 38.487 -0.104 0.000 1.021 1671 N HN 0.288 nan 8.380 nan 0.000 0.422 1672 G N 1.418 109.927 108.800 -0.485 0.000 2.514 1672 G HA2 -0.230 3.731 3.960 0.001 0.000 0.217 1672 G HA3 -0.230 3.731 3.960 0.001 0.000 0.217 1672 G C 1.582 176.246 174.900 -0.394 0.000 1.198 1672 G CA 0.939 45.750 45.100 -0.482 0.000 0.780 1672 G HN 0.330 nan 8.290 nan 0.000 0.565 1673 L N 0.029 120.831 121.223 -0.703 0.000 2.034 1673 L HA -0.192 4.148 4.340 0.001 0.000 0.217 1673 L C 2.968 179.730 176.870 -0.179 0.000 1.077 1673 L CA 1.572 55.926 54.840 -0.809 0.000 0.769 1673 L CB -0.511 40.900 42.059 -1.081 0.000 0.890 1673 L HN 0.280 nan 8.230 nan 0.000 0.435 1674 I N -0.501 119.960 120.570 -0.182 0.000 2.353 1674 I HA -0.217 3.954 4.170 0.001 0.000 0.248 1674 I C 1.258 177.382 176.117 0.011 0.000 1.119 1674 I CA 1.031 62.296 61.300 -0.057 0.000 1.417 1674 I CB -0.105 37.800 38.000 -0.157 0.000 1.078 1674 I HN 0.320 nan 8.210 nan 0.000 0.421 1675 N N 0.713 119.392 118.700 -0.036 0.000 2.204 1675 N HA 0.075 4.815 4.740 0.001 0.000 0.219 1675 N C -0.361 175.149 175.510 0.001 0.000 1.151 1675 N CA 0.071 53.108 53.050 -0.021 0.000 0.867 1675 N CB 0.105 38.563 38.487 -0.048 0.000 1.043 1675 N HN 0.124 nan 8.380 nan 0.000 0.516 1676 N N 0.443 119.171 118.700 0.046 0.000 2.754 1676 N HA -0.188 4.552 4.740 0.001 0.000 0.248 1676 N C -0.352 175.189 175.510 0.052 0.000 1.093 1676 N CA 0.681 53.778 53.050 0.078 0.000 0.699 1676 N CB -0.981 37.514 38.487 0.013 0.000 1.016 1676 N HN 0.400 nan 8.380 nan 0.000 0.552 1677 K N 0.478 120.874 120.400 -0.007 0.000 2.861 1677 K HA 0.331 4.652 4.320 0.001 0.000 0.210 1677 K C 1.510 178.066 176.600 -0.072 0.000 1.112 1677 K CA -0.283 56.005 56.287 0.002 0.000 1.076 1677 K CB 0.450 32.942 32.500 -0.013 0.000 0.853 1677 K HN 0.128 nan 8.250 nan 0.000 0.463 1678 L N 0.256 121.476 121.223 -0.006 0.000 2.275 1678 L HA -0.005 4.336 4.340 0.001 0.000 0.215 1678 L C 0.416 177.432 176.870 0.243 0.000 1.119 1678 L CA 1.083 55.932 54.840 0.015 0.000 0.790 1678 L CB -0.070 42.108 42.059 0.199 0.000 0.919 1678 L HN 0.237 nan 8.230 nan 0.000 0.443 1679 F N 0.020 120.061 119.950 0.151 0.000 2.449 1679 F HA 0.473 5.001 4.527 0.001 0.000 0.342 1679 F C -0.618 175.258 175.800 0.126 0.000 1.127 1679 F CA -0.670 57.423 58.000 0.154 0.000 0.975 1679 F CB 1.489 40.575 39.000 0.143 0.000 1.146 1679 F HN -0.477 nan 8.300 nan 0.000 0.444 1680 V N 6.518 126.318 119.914 -0.190 0.000 2.376 1680 V HA 0.567 4.687 4.120 0.001 0.000 0.287 1680 V C -0.028 175.923 176.094 -0.238 0.000 1.015 1680 V CA -0.786 61.480 62.300 -0.056 0.000 0.834 1680 V CB 1.232 33.069 31.823 0.024 0.000 1.001 1680 V HN 0.967 nan 8.190 nan 0.000 0.428 1681 A N 6.267 129.112 122.820 0.041 0.000 2.477 1681 A HA 0.432 4.753 4.320 0.001 0.000 0.246 1681 A C 0.359 177.955 177.584 0.019 0.000 1.078 1681 A CA -0.134 51.961 52.037 0.097 0.000 0.770 1681 A CB 0.176 19.349 19.000 0.288 0.000 1.011 1681 A HN 0.652 nan 8.150 nan 0.000 0.494 1682 K N 1.697 122.092 120.400 -0.008 0.000 2.249 1682 K HA 0.142 4.463 4.320 0.001 0.000 0.280 1682 K C -0.467 176.178 176.600 0.074 0.000 1.033 1682 K CA -0.262 56.022 56.287 -0.004 0.000 0.946 1682 K CB 1.294 33.765 32.500 -0.048 0.000 1.005 1682 K HN 0.677 nan 8.250 nan 0.000 0.469 1683 D N 0.880 121.326 120.400 0.075 0.000 2.380 1683 D HA 0.055 4.696 4.640 0.001 0.000 0.212 1683 D C -0.187 176.161 176.300 0.080 0.000 1.021 1683 D CA 0.954 55.003 54.000 0.082 0.000 0.884 1683 D CB 0.631 41.472 40.800 0.068 0.000 1.001 1683 D HN 0.127 nan 8.370 nan 0.000 0.506 1684 K N 0.166 120.621 120.400 0.092 0.000 2.469 1684 K HA 0.679 4.999 4.320 0.001 0.000 0.254 1684 K C -0.783 175.865 176.600 0.080 0.000 0.939 1684 K CA -0.791 55.533 56.287 0.061 0.000 0.812 1684 K CB 2.488 35.011 32.500 0.039 0.000 1.301 1684 K HN -0.069 nan 8.250 nan 0.000 0.433 1685 A N 2.452 125.228 122.820 -0.072 0.000 2.409 1685 A HA 0.259 4.580 4.320 0.001 0.000 0.246 1685 A C -1.549 175.832 177.584 -0.339 0.000 1.099 1685 A CA -0.462 51.414 52.037 -0.270 0.000 0.789 1685 A CB -0.378 18.154 19.000 -0.779 0.000 1.053 1685 A HN 0.435 nan 8.150 nan 0.000 0.503 1686 P HA -0.004 nan 4.420 nan 0.000 0.223 1686 P C -0.521 176.830 177.300 0.086 0.000 1.151 1686 P CA 1.237 64.164 63.100 -0.288 0.000 0.787 1686 P CB -0.146 31.373 31.700 -0.301 0.000 0.788 1687 Y N -1.734 118.682 120.300 0.193 0.000 2.409 1687 Y HA 0.558 5.109 4.550 0.001 0.000 0.339 1687 Y C 0.366 176.312 175.900 0.077 0.000 1.033 1687 Y CA -1.941 56.255 58.100 0.159 0.000 1.094 1687 Y CB 0.606 39.096 38.460 0.049 0.000 1.210 1687 Y HN -0.233 nan 8.280 nan 0.000 0.456 1688 E N 1.750 122.059 120.200 0.182 0.000 2.422 1688 E HA -0.046 4.305 4.350 0.001 0.000 0.260 1688 E C -0.195 176.495 176.600 0.151 0.000 1.108 1688 E CA -0.071 56.394 56.400 0.108 0.000 0.943 1688 E CB 0.595 30.345 29.700 0.082 0.000 0.961 1688 E HN 0.709 nan 8.360 nan 0.000 0.443 1689 D N 1.222 121.676 120.400 0.091 0.000 2.144 1689 D HA -0.184 4.456 4.640 0.001 0.000 0.199 1689 D C 1.807 178.133 176.300 0.044 0.000 0.984 1689 D CA 0.948 54.997 54.000 0.081 0.000 0.834 1689 D CB -0.157 40.664 40.800 0.035 0.000 0.955 1689 D HN 0.419 nan 8.370 nan 0.000 0.465 1690 R N 1.124 121.644 120.500 0.033 0.000 2.134 1690 R HA -0.200 4.141 4.340 0.001 0.000 0.248 1690 R C 1.948 178.245 176.300 -0.005 0.000 1.143 1690 R CA 1.557 57.664 56.100 0.011 0.000 0.957 1690 R CB -0.525 29.786 30.300 0.019 0.000 0.867 1690 R HN 0.263 nan 8.270 nan 0.000 0.441 1691 I N 0.645 121.227 120.570 0.019 0.000 2.876 1691 I HA -0.131 4.040 4.170 0.001 0.000 0.264 1691 I C 2.730 178.779 176.117 -0.114 0.000 1.204 1691 I CA 0.655 61.943 61.300 -0.021 0.000 1.485 1691 I CB -0.506 37.508 38.000 0.023 0.000 1.103 1691 I HN 0.333 nan 8.210 nan 0.000 0.446 1692 Q N 1.788 121.519 119.800 -0.116 0.000 2.047 1692 Q HA -0.286 4.055 4.340 0.001 0.000 0.211 1692 Q C 2.280 178.012 176.000 -0.447 0.000 1.005 1692 Q CA 3.062 58.652 55.803 -0.355 0.000 0.866 1692 Q CB -0.108 28.468 28.738 -0.271 0.000 0.938 1692 Q HN 0.456 nan 8.270 nan 0.000 0.414 1693 S N 0.562 116.051 115.700 -0.352 0.000 2.374 1693 S HA -0.201 4.269 4.470 0.001 0.000 0.227 1693 S C 1.755 176.261 174.600 -0.156 0.000 1.037 1693 S CA 1.709 59.734 58.200 -0.291 0.000 1.024 1693 S CB -0.231 62.855 63.200 -0.190 0.000 0.861 1693 S HN 0.377 nan 8.310 nan 0.000 0.456 1694 K N 0.695 121.014 120.400 -0.135 0.000 2.001 1694 K HA -0.039 4.282 4.320 0.001 0.000 0.208 1694 K C 2.143 178.684 176.600 -0.098 0.000 1.048 1694 K CA 1.363 57.595 56.287 -0.093 0.000 0.932 1694 K CB -0.692 31.760 32.500 -0.080 0.000 0.715 1694 K HN 0.216 nan 8.250 nan 0.000 0.437 1695 V N 1.369 121.171 119.914 -0.187 0.000 2.324 1695 V HA -0.263 3.857 4.120 0.001 0.000 0.250 1695 V C 2.111 178.132 176.094 -0.120 0.000 1.060 1695 V CA 1.872 63.980 62.300 -0.319 0.000 1.042 1695 V CB -0.698 30.654 31.823 -0.785 0.000 0.650 1695 V HN 0.220 nan 8.190 nan 0.000 0.450 1696 F N -0.821 118.923 119.950 -0.344 0.000 2.216 1696 F HA -0.101 4.426 4.527 0.001 0.000 0.300 1696 F C 2.078 177.855 175.800 -0.038 0.000 1.085 1696 F CA 1.122 59.011 58.000 -0.185 0.000 1.326 1696 F CB -0.055 38.821 39.000 -0.206 0.000 1.027 1696 F HN 0.102 nan 8.300 nan 0.000 0.497 1697 L N -0.858 120.421 121.223 0.092 0.000 2.416 1697 L HA 0.004 4.345 4.340 0.001 0.000 0.216 1697 L C 0.374 177.212 176.870 -0.054 0.000 1.098 1697 L CA -0.007 54.844 54.840 0.020 0.000 0.840 1697 L CB -0.213 41.845 42.059 -0.001 0.000 0.981 1697 L HN -0.005 nan 8.230 nan 0.000 0.462 1698 N N 0.763 119.416 118.700 -0.079 0.000 2.462 1698 N HA 0.156 4.896 4.740 0.001 0.000 0.242 1698 N C -2.132 173.211 175.510 -0.278 0.000 1.010 1698 N CA -2.223 50.753 53.050 -0.124 0.000 0.939 1698 N CB 1.393 39.837 38.487 -0.073 0.000 1.127 1698 N HN -0.192 nan 8.380 nan 0.000 0.509 1699 P HA -0.014 nan 4.420 nan 0.000 0.239 1699 P C 0.593 177.683 177.300 -0.349 0.000 1.184 1699 P CA 0.782 63.505 63.100 -0.629 0.000 0.760 1699 P CB 0.441 31.944 31.700 -0.328 0.000 0.884 1700 Q N -0.568 119.137 119.800 -0.159 0.000 2.324 1700 Q HA 0.063 4.404 4.340 0.001 0.000 0.207 1700 Q C 0.785 176.827 176.000 0.070 0.000 0.928 1700 Q CA 0.434 56.222 55.803 -0.024 0.000 0.890 1700 Q CB -0.493 28.238 28.738 -0.011 0.000 1.001 1700 Q HN 0.291 nan 8.270 nan 0.000 0.517 1701 S N 1.900 117.646 115.700 0.078 0.000 2.784 1701 S HA 0.061 4.531 4.470 0.001 0.000 0.322 1701 S C 0.122 174.968 174.600 0.410 0.000 1.234 1701 S CA 0.238 58.556 58.200 0.197 0.000 1.064 1701 S CB 0.450 63.700 63.200 0.083 0.000 0.787 1701 S HN 0.121 nan 8.310 nan 0.000 0.506 1702 R N 1.402 122.117 120.500 0.359 0.000 2.836 1702 R HA 0.591 4.932 4.340 0.001 0.000 0.269 1702 R C -1.247 175.034 176.300 -0.031 0.000 1.010 1702 R CA -1.044 55.194 56.100 0.231 0.000 0.930 1702 R CB 1.736 32.107 30.300 0.118 0.000 1.218 1702 R HN 0.507 nan 8.270 nan 0.000 0.473 1703 V N 1.483 121.205 119.914 -0.320 0.000 2.546 1703 V HA 0.248 4.369 4.120 0.001 0.000 0.284 1703 V C 0.300 176.279 176.094 -0.192 0.000 1.050 1703 V CA -0.091 61.946 62.300 -0.438 0.000 0.981 1703 V CB 1.601 33.075 31.823 -0.582 0.000 0.990 1703 V HN 0.907 nan 8.190 nan 0.000 0.474 1704 T N 2.927 117.402 114.554 -0.131 0.000 2.823 1704 T HA 0.471 4.822 4.350 0.001 0.000 0.279 1704 T C -0.331 174.331 174.700 -0.062 0.000 0.998 1704 T CA -0.598 61.456 62.100 -0.076 0.000 0.994 1704 T CB 1.455 70.302 68.868 -0.035 0.000 0.960 1704 T HN 0.693 nan 8.240 nan 0.000 0.448 1705 Q N 1.704 121.472 119.800 -0.054 0.000 2.474 1705 Q HA 0.235 4.576 4.340 0.001 0.000 0.256 1705 Q C -0.130 175.859 176.000 -0.019 0.000 1.048 1705 Q CA 0.189 55.971 55.803 -0.034 0.000 0.922 1705 Q CB 0.554 29.271 28.738 -0.034 0.000 1.288 1705 Q HN 0.806 nan 8.270 nan 0.000 0.484 1706 E N -0.221 119.974 120.200 -0.008 0.000 2.469 1706 E HA 0.163 4.513 4.350 0.001 0.000 0.237 1706 E C 0.805 177.406 176.600 0.002 0.000 0.840 1706 E CA 0.111 56.510 56.400 -0.000 0.000 0.894 1706 E CB 1.058 30.763 29.700 0.008 0.000 1.681 1706 E HN 0.761 nan 8.360 nan 0.000 0.401 1707 S N 0.402 116.106 115.700 0.006 0.000 2.402 1707 S HA -0.126 4.345 4.470 0.001 0.000 0.229 1707 S C 1.050 175.654 174.600 0.007 0.000 1.021 1707 S CA 1.126 59.330 58.200 0.006 0.000 0.974 1707 S CB -0.399 62.807 63.200 0.009 0.000 0.800 1707 S HN 0.463 nan 8.310 nan 0.000 0.484 1708 N N 1.255 119.961 118.700 0.011 0.000 2.295 1708 N HA 0.279 5.020 4.740 0.001 0.000 0.221 1708 N C 1.088 176.604 175.510 0.010 0.000 1.129 1708 N CA 0.368 53.426 53.050 0.012 0.000 0.836 1708 N CB -0.436 38.061 38.487 0.018 0.000 1.040 1708 N HN 0.516 nan 8.380 nan 0.000 0.494 1709 G N -0.181 108.621 108.800 0.005 0.000 2.186 1709 G HA2 -0.333 3.628 3.960 0.001 0.000 0.266 1709 G HA3 -0.333 3.628 3.960 0.001 0.000 0.266 1709 G C -0.234 174.668 174.900 0.002 0.000 0.982 1709 G CA 0.388 45.487 45.100 -0.001 0.000 0.670 1709 G HN 0.513 nan 8.290 nan 0.000 0.533 1710 E N -0.451 119.757 120.200 0.015 0.000 2.231 1710 E HA 0.540 4.890 4.350 0.001 0.000 0.277 1710 E C 0.493 177.115 176.600 0.037 0.000 0.999 1710 E CA -0.720 55.701 56.400 0.035 0.000 0.827 1710 E CB 0.920 30.649 29.700 0.048 0.000 1.101 1710 E HN 0.262 nan 8.360 nan 0.000 0.393 1711 L N 3.332 124.600 121.223 0.075 0.000 2.305 1711 L HA 0.408 4.749 4.340 0.001 0.000 0.281 1711 L C -0.138 176.722 176.870 -0.016 0.000 1.085 1711 L CA 0.020 54.880 54.840 0.035 0.000 0.813 1711 L CB 0.524 42.636 42.059 0.089 0.000 1.157 1711 L HN 0.363 nan 8.230 nan 0.000 0.436 1712 K N 2.982 123.323 120.400 -0.099 0.000 2.569 1712 K HA 0.382 4.702 4.320 0.001 0.000 0.259 1712 K C -1.168 175.364 176.600 -0.112 0.000 0.932 1712 K CA -0.749 55.479 56.287 -0.097 0.000 0.833 1712 K CB 2.008 34.516 32.500 0.013 0.000 1.340 1712 K HN 0.092 nan 8.250 nan 0.000 0.429 1713 F N 2.241 122.202 119.950 0.018 0.000 2.626 1713 F HA 0.080 4.608 4.527 0.001 0.000 0.354 1713 F C -1.567 174.255 175.800 0.038 0.000 1.168 1713 F CA -0.468 57.555 58.000 0.039 0.000 1.368 1713 F CB 0.005 39.047 39.000 0.069 0.000 1.092 1713 F HN 0.257 nan 8.300 nan 0.000 0.612 1714 P HA 0.381 nan 4.420 nan 0.000 0.290 1714 P C -1.067 176.301 177.300 0.114 0.000 1.276 1714 P CA -0.454 62.722 63.100 0.126 0.000 0.808 1714 P CB 1.318 33.074 31.700 0.093 0.000 0.966 1715 A N 0.000 122.869 122.820 0.082 0.000 2.254 1715 A HA 0.000 4.320 4.320 0.001 0.000 0.244 1715 A CA 0.000 52.075 52.037 0.062 0.000 0.836 1715 A CB 0.000 19.032 19.000 0.054 0.000 0.831 1715 A HN 0.000 nan 8.150 nan 0.000 0.486