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 3pjz_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQFRSIIRIV GLLLALFSVT MLAPALVALL YRDGAGVPFV TTFFVLLFCG DATA SEQUENCE AMCWFPNRRH KHELKSRDGF LIVVLFWTVL GSAGSLPFLI ADNPNISVTD DATA SEQUENCE AFFESFSALT TTGATVIVGL DELPKAILFY RQFLQWFGGM GIIVLAVAIL DATA SEQUENCE PVLGIGGXXX XXXXXXXXXX XXXMTPRIAE TAKALWYIYL SLTIACAVAF DATA SEQUENCE WLAGMTPFDA ISHSFSTIAI GGFSTHDASM GYFDSYAINL ITVVFLLISA DATA SEQUENCE cNFTLHFAAF ASGGVHPKYY WKDPEFRAFI FIQVLLFLVC FLLLLKHHSY DATA SEQUENCE TSPYDAFDQA LFQTVSISTT AGFTTTGFAD WPLFLPVLLL FSSFIGGcAG DATA SEQUENCE STGGGMKVIR ILLLTLQGAR ELKRLVHPRA VYTIKVGGSA LPQRVVDAVW DATA SEQUENCE GFFSAYALVF VVCMLGLIAT GMDELSAFSA VAATLNNLGP GLGEVALHFG DATA SEQUENCE DVNDKAKWVL IVSMLFGRLE IFTLLILLTP TFWR 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 0.000 176.212 176.300 -0.147 0.000 1.140 1 M CA 0.000 55.240 55.300 -0.100 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.018 0.000 1.302 2 Q N -0.021 119.792 119.800 0.022 0.000 2.502 2 Q HA -0.194 4.197 4.340 0.085 0.000 0.273 2 Q C 0.621 176.645 176.000 0.041 0.000 1.127 2 Q CA 1.020 56.843 55.803 0.033 0.000 0.952 2 Q CB -2.777 25.954 28.738 -0.012 0.000 1.333 2 Q HN 0.525 nan 8.270 nan 0.000 0.494 3 F N 0.796 120.756 119.950 0.016 0.000 2.045 3 F HA -0.365 4.213 4.527 0.085 0.000 0.297 3 F C 2.463 178.269 175.800 0.011 0.000 1.114 3 F CA 2.549 60.563 58.000 0.023 0.000 1.207 3 F CB -0.390 38.620 39.000 0.016 0.000 0.964 3 F HN 0.288 nan 8.300 nan 0.000 0.486 4 R N 0.107 120.730 120.500 0.205 0.000 2.179 4 R HA -0.257 4.134 4.340 0.085 0.000 0.238 4 R C 2.193 178.520 176.300 0.045 0.000 1.119 4 R CA 1.782 57.935 56.100 0.089 0.000 0.915 4 R CB -1.773 28.553 30.300 0.043 0.000 0.870 4 R HN 0.187 nan 8.270 nan 0.000 0.432 5 S N -0.275 115.436 115.700 0.018 0.000 2.440 5 S HA -0.084 4.437 4.470 0.085 0.000 0.240 5 S C 1.709 176.293 174.600 -0.026 0.000 1.014 5 S CA 1.100 59.285 58.200 -0.025 0.000 0.980 5 S CB -0.344 62.836 63.200 -0.034 0.000 0.775 5 S HN 0.287 nan 8.310 nan 0.000 0.499 6 I N 0.811 121.385 120.570 0.007 0.000 2.141 6 I HA -0.117 4.104 4.170 0.085 0.000 0.236 6 I C 2.019 178.161 176.117 0.042 0.000 1.071 6 I CA 1.135 62.445 61.300 0.016 0.000 1.345 6 I CB -0.447 37.563 38.000 0.017 0.000 1.066 6 I HN 0.263 nan 8.210 nan 0.000 0.406 7 I N 0.644 121.258 120.570 0.073 0.000 2.479 7 I HA -0.351 3.871 4.170 0.085 0.000 0.258 7 I C 2.700 178.863 176.117 0.078 0.000 1.165 7 I CA 1.270 62.618 61.300 0.080 0.000 1.422 7 I CB -0.601 37.450 38.000 0.084 0.000 1.087 7 I HN 0.317 nan 8.210 nan 0.000 0.441 8 R N 1.246 121.783 120.500 0.061 0.000 2.073 8 R HA -0.112 4.279 4.340 0.085 0.000 0.229 8 R C 2.155 178.516 176.300 0.101 0.000 1.120 8 R CA 1.198 57.359 56.100 0.101 0.000 0.967 8 R CB 0.135 30.457 30.300 0.036 0.000 0.862 8 R HN 0.275 nan 8.270 nan 0.000 0.436 9 I N 0.465 121.049 120.570 0.023 0.000 2.928 9 I HA -0.095 4.126 4.170 0.085 0.000 0.266 9 I C 2.207 178.338 176.117 0.023 0.000 1.234 9 I CA 0.548 61.845 61.300 -0.005 0.000 1.483 9 I CB -0.898 37.076 38.000 -0.043 0.000 1.097 9 I HN -0.014 nan 8.210 nan 0.000 0.455 10 V N 2.065 122.009 119.914 0.049 0.000 2.270 10 V HA -0.122 4.049 4.120 0.085 0.000 0.245 10 V C 2.798 178.926 176.094 0.057 0.000 1.043 10 V CA 2.171 64.506 62.300 0.058 0.000 1.014 10 V CB -1.280 30.584 31.823 0.069 0.000 0.645 10 V HN 0.482 nan 8.190 nan 0.000 0.447 11 G N -0.283 108.567 108.800 0.085 0.000 2.450 11 G HA2 -0.195 3.816 3.960 0.085 0.000 0.220 11 G HA3 -0.195 3.816 3.960 0.085 0.000 0.220 11 G C 1.510 176.412 174.900 0.004 0.000 1.130 11 G CA 0.592 45.747 45.100 0.092 0.000 0.760 11 G HN 0.340 nan 8.290 nan 0.000 0.557 12 L N -0.121 121.091 121.223 -0.018 0.000 2.056 12 L HA 0.111 4.502 4.340 0.085 0.000 0.207 12 L C 2.911 179.756 176.870 -0.042 0.000 1.078 12 L CA 1.121 55.896 54.840 -0.109 0.000 0.749 12 L CB -0.841 41.165 42.059 -0.089 0.000 0.901 12 L HN 0.257 nan 8.230 nan 0.000 0.433 13 L N -1.256 119.978 121.223 0.018 0.000 2.049 13 L HA -0.195 4.196 4.340 0.085 0.000 0.203 13 L C 2.592 179.523 176.870 0.102 0.000 1.074 13 L CA 0.675 55.564 54.840 0.082 0.000 0.749 13 L CB -0.349 41.776 42.059 0.110 0.000 0.907 13 L HN 0.182 nan 8.230 nan 0.000 0.439 14 L N -0.183 121.074 121.223 0.058 0.000 1.991 14 L HA -0.339 4.052 4.340 0.085 0.000 0.221 14 L C 2.838 179.757 176.870 0.082 0.000 1.079 14 L CA 1.811 56.695 54.840 0.074 0.000 0.778 14 L CB -0.675 41.409 42.059 0.041 0.000 0.893 14 L HN 0.328 nan 8.230 nan 0.000 0.437 15 A N -0.643 122.173 122.820 -0.006 0.000 1.877 15 A HA -0.220 4.151 4.320 0.085 0.000 0.216 15 A C 2.169 179.729 177.584 -0.040 0.000 1.186 15 A CA 1.469 53.456 52.037 -0.084 0.000 0.620 15 A CB -0.824 18.068 19.000 -0.180 0.000 0.822 15 A HN 0.420 nan 8.150 nan 0.000 0.443 16 L N -1.574 119.659 121.223 0.016 0.000 2.265 16 L HA -0.119 4.272 4.340 0.085 0.000 0.215 16 L C 2.089 179.080 176.870 0.203 0.000 1.117 16 L CA 1.832 56.723 54.840 0.084 0.000 0.782 16 L CB -0.769 41.350 42.059 0.100 0.000 0.914 16 L HN 0.470 nan 8.230 nan 0.000 0.441 17 F N 0.224 120.190 119.950 0.026 0.000 2.179 17 F HA -0.085 4.493 4.527 0.086 0.000 0.292 17 F C 2.585 178.387 175.800 0.003 0.000 1.089 17 F CA 1.321 59.328 58.000 0.011 0.000 1.295 17 F CB -0.349 38.621 39.000 -0.050 0.000 1.041 17 F HN -0.006 nan 8.300 nan 0.000 0.487 18 S N 0.266 115.942 115.700 -0.040 0.000 2.380 18 S HA -0.215 4.306 4.470 0.085 0.000 0.229 18 S C 2.081 176.633 174.600 -0.080 0.000 1.043 18 S CA 1.598 59.685 58.200 -0.188 0.000 1.038 18 S CB -0.891 62.086 63.200 -0.373 0.000 0.872 18 S HN 0.254 nan 8.310 nan 0.000 0.456 19 V N 2.232 122.138 119.914 -0.014 0.000 2.982 19 V HA -0.150 4.022 4.120 0.085 0.000 0.265 19 V C 2.610 178.760 176.094 0.092 0.000 1.122 19 V CA 1.795 64.179 62.300 0.141 0.000 1.143 19 V CB -1.722 30.161 31.823 0.101 0.000 0.726 19 V HN 0.818 nan 8.190 nan 0.000 0.507 20 T N -3.555 110.983 114.554 -0.027 0.000 3.035 20 T HA -0.024 4.377 4.350 0.085 0.000 0.259 20 T C 1.721 176.231 174.700 -0.317 0.000 1.078 20 T CA 0.297 62.341 62.100 -0.094 0.000 1.132 20 T CB -0.182 68.684 68.868 -0.003 0.000 0.900 20 T HN 0.203 nan 8.240 nan 0.000 0.480 21 M N 1.124 120.546 119.600 -0.297 0.000 2.530 21 M HA 0.131 4.662 4.480 0.085 0.000 0.261 21 M C 1.889 177.989 176.300 -0.333 0.000 1.067 21 M CA 0.763 55.842 55.300 -0.368 0.000 1.071 21 M CB -1.207 31.317 32.600 -0.126 0.000 1.405 21 M HN 0.393 nan 8.290 nan 0.000 0.478 22 L N -0.817 120.279 121.223 -0.210 0.000 2.095 22 L HA -0.040 4.351 4.340 0.085 0.000 0.204 22 L C 2.763 179.481 176.870 -0.254 0.000 1.080 22 L CA 0.775 55.477 54.840 -0.229 0.000 0.759 22 L CB -1.020 40.916 42.059 -0.205 0.000 0.914 22 L HN 0.234 nan 8.230 nan 0.000 0.439 23 A N 0.908 123.572 122.820 -0.260 0.000 1.927 23 A HA -0.161 4.211 4.320 0.085 0.000 0.220 23 A C -0.068 177.311 177.584 -0.341 0.000 1.185 23 A CA 2.062 53.959 52.037 -0.234 0.000 0.639 23 A CB -1.806 17.099 19.000 -0.158 0.000 0.820 23 A HN 0.304 nan 8.150 nan 0.000 0.451 24 P HA 0.011 nan 4.420 nan 0.000 0.218 24 P C 1.651 178.804 177.300 -0.244 0.000 1.152 24 P CA 1.659 64.538 63.100 -0.368 0.000 0.826 24 P CB -0.133 31.000 31.700 -0.945 0.000 0.790 25 A N 0.195 122.873 122.820 -0.237 0.000 1.969 25 A HA -0.133 4.238 4.320 0.085 0.000 0.218 25 A C 2.107 179.647 177.584 -0.073 0.000 1.169 25 A CA 1.002 53.033 52.037 -0.010 0.000 0.635 25 A CB -1.691 17.307 19.000 -0.002 0.000 0.810 25 A HN 0.105 nan 8.150 nan 0.000 0.445 26 L N 0.185 121.320 121.223 -0.146 0.000 2.187 26 L HA -0.132 4.259 4.340 0.085 0.000 0.213 26 L C 2.217 179.011 176.870 -0.126 0.000 1.100 26 L CA 1.791 56.547 54.840 -0.139 0.000 0.765 26 L CB -0.584 41.379 42.059 -0.160 0.000 0.904 26 L HN 0.306 nan 8.230 nan 0.000 0.437 27 V N -0.611 119.218 119.914 -0.142 0.000 2.725 27 V HA 0.015 4.187 4.120 0.085 0.000 0.247 27 V C 2.504 178.603 176.094 0.009 0.000 1.058 27 V CA 1.033 63.291 62.300 -0.070 0.000 1.080 27 V CB -0.594 31.126 31.823 -0.171 0.000 0.713 27 V HN 0.474 nan 8.190 nan 0.000 0.465 28 A N -0.731 122.099 122.820 0.016 0.000 2.235 28 A HA 0.109 4.480 4.320 0.085 0.000 0.208 28 A C 1.834 179.417 177.584 -0.002 0.000 1.172 28 A CA 0.977 53.033 52.037 0.032 0.000 0.786 28 A CB -0.186 18.857 19.000 0.071 0.000 0.804 28 A HN 0.389 nan 8.150 nan 0.000 0.479 29 L N -1.423 119.784 121.223 -0.026 0.000 2.435 29 L HA 0.183 4.574 4.340 0.085 0.000 0.195 29 L C 2.131 178.960 176.870 -0.068 0.000 1.072 29 L CA 0.641 55.453 54.840 -0.047 0.000 0.833 29 L CB -1.151 40.873 42.059 -0.059 0.000 1.081 29 L HN 0.303 nan 8.230 nan 0.000 0.485 30 L N -0.496 120.671 121.223 -0.093 0.000 1.943 30 L HA -0.157 4.234 4.340 0.085 0.000 0.215 30 L C 0.330 177.083 176.870 -0.195 0.000 1.074 30 L CA 1.563 56.301 54.840 -0.169 0.000 0.759 30 L CB -0.813 41.108 42.059 -0.230 0.000 0.888 30 L HN 0.097 nan 8.230 nan 0.000 0.433 31 Y N 1.897 122.113 120.300 -0.141 0.000 2.496 31 Y HA 0.075 4.675 4.550 0.083 0.000 0.334 31 Y C 1.200 177.028 175.900 -0.120 0.000 1.080 31 Y CA -0.352 57.654 58.100 -0.156 0.000 1.355 31 Y CB 0.293 38.602 38.460 -0.252 0.000 1.193 31 Y HN 0.268 nan 8.280 nan 0.000 0.523 32 R N 1.012 121.535 120.500 0.038 0.000 3.272 32 R HA -0.410 3.981 4.340 0.085 0.000 0.656 32 R C 0.773 177.073 176.300 -0.000 0.000 0.241 32 R CA 1.418 57.525 56.100 0.012 0.000 2.013 32 R CB -1.459 28.855 30.300 0.023 0.000 0.754 32 R HN 0.918 nan 8.270 nan 0.000 0.658 33 D N -1.436 118.962 120.400 -0.003 0.000 3.424 33 D HA -0.266 4.425 4.640 0.085 0.000 0.162 33 D C 1.124 177.414 176.300 -0.015 0.000 1.055 33 D CA 4.808 58.802 54.000 -0.009 0.000 1.016 33 D CB -1.290 39.508 40.800 -0.004 0.000 0.500 33 D HN 0.995 nan 8.370 nan 0.000 0.501 34 G N -2.555 106.235 108.800 -0.016 0.000 2.613 34 G HA2 0.203 4.214 3.960 0.085 0.000 0.199 34 G HA3 0.203 4.214 3.960 0.085 0.000 0.199 34 G C 0.205 175.088 174.900 -0.028 0.000 0.991 34 G CA 0.547 45.633 45.100 -0.023 0.000 0.756 34 G HN 1.167 nan 8.290 nan 0.000 0.515 35 A N 0.924 123.726 122.820 -0.029 0.000 3.282 35 A HA 0.702 5.074 4.320 0.085 0.000 0.287 35 A C 1.217 178.760 177.584 -0.068 0.000 1.366 35 A CA 0.944 52.953 52.037 -0.047 0.000 1.069 35 A CB -0.403 18.570 19.000 -0.044 0.000 1.109 35 A HN 1.397 nan 8.150 nan 0.000 0.638 36 G N -0.980 107.791 108.800 -0.048 0.000 4.144 36 G HA2 0.332 4.343 3.960 0.085 0.000 0.297 36 G HA3 0.332 4.343 3.960 0.085 0.000 0.297 36 G C 0.683 175.555 174.900 -0.047 0.000 1.090 36 G CA 0.205 45.276 45.100 -0.047 0.000 0.870 36 G HN 0.228 nan 8.290 nan 0.000 0.532 37 V N 1.159 121.024 119.914 -0.082 0.000 2.515 37 V HA -0.053 4.118 4.120 0.085 0.000 0.250 37 V C -0.088 175.953 176.094 -0.088 0.000 1.058 37 V CA 1.586 63.847 62.300 -0.065 0.000 1.064 37 V CB -0.195 31.589 31.823 -0.067 0.000 0.675 37 V HN 0.217 nan 8.190 nan 0.000 0.461 38 P HA -0.064 nan 4.420 nan 0.000 0.230 38 P C 1.368 178.536 177.300 -0.220 0.000 1.158 38 P CA 1.272 64.234 63.100 -0.229 0.000 0.769 38 P CB -0.078 31.413 31.700 -0.348 0.000 0.807 39 F N -1.301 118.580 119.950 -0.115 0.000 2.219 39 F HA -0.092 4.486 4.527 0.085 0.000 0.294 39 F C 2.152 177.945 175.800 -0.012 0.000 1.086 39 F CA 0.428 58.341 58.000 -0.144 0.000 1.330 39 F CB -0.472 38.412 39.000 -0.194 0.000 1.047 39 F HN -0.331 nan 8.300 nan 0.000 0.495 40 V N -0.473 119.560 119.914 0.199 0.000 2.667 40 V HA -0.220 3.951 4.120 0.085 0.000 0.252 40 V C 2.044 178.322 176.094 0.307 0.000 1.065 40 V CA 2.084 64.516 62.300 0.220 0.000 1.083 40 V CB -0.915 30.965 31.823 0.096 0.000 0.692 40 V HN 0.381 nan 8.190 nan 0.000 0.468 41 T N -0.567 114.080 114.554 0.155 0.000 2.732 41 T HA -0.175 4.227 4.350 0.085 0.000 0.261 41 T C 2.025 176.848 174.700 0.206 0.000 1.040 41 T CA 1.984 64.161 62.100 0.129 0.000 1.145 41 T CB -0.419 68.468 68.868 0.031 0.000 0.866 41 T HN 0.472 nan 8.240 nan 0.000 0.427 42 T N 2.014 116.666 114.554 0.162 0.000 2.699 42 T HA -0.109 4.292 4.350 0.085 0.000 0.268 42 T C 1.543 176.357 174.700 0.191 0.000 1.036 42 T CA 1.288 63.477 62.100 0.149 0.000 1.147 42 T CB -0.587 68.341 68.868 0.100 0.000 0.862 42 T HN 0.413 nan 8.240 nan 0.000 0.446 43 F N 0.652 120.667 119.950 0.109 0.000 2.161 43 F HA -0.079 4.500 4.527 0.086 0.000 0.300 43 F C 1.655 177.475 175.800 0.033 0.000 1.089 43 F CA 1.311 59.338 58.000 0.045 0.000 1.282 43 F CB -0.381 38.640 39.000 0.036 0.000 1.010 43 F HN 0.154 nan 8.300 nan 0.000 0.485 44 F N -0.846 119.191 119.950 0.144 0.000 2.270 44 F HA -0.076 4.502 4.527 0.085 0.000 0.295 44 F C 2.249 178.073 175.800 0.039 0.000 1.087 44 F CA 0.911 58.942 58.000 0.050 0.000 1.365 44 F CB -0.687 38.393 39.000 0.133 0.000 1.056 44 F HN -0.254 nan 8.300 nan 0.000 0.506 45 V N 0.587 120.652 119.914 0.252 0.000 2.287 45 V HA -0.312 3.859 4.120 0.085 0.000 0.248 45 V C 2.173 178.392 176.094 0.209 0.000 1.053 45 V CA 1.851 64.270 62.300 0.199 0.000 1.027 45 V CB -0.561 31.354 31.823 0.153 0.000 0.646 45 V HN 0.322 nan 8.190 nan 0.000 0.447 46 L N -1.250 120.038 121.223 0.108 0.000 2.202 46 L HA 0.013 4.404 4.340 0.085 0.000 0.205 46 L C 2.353 179.213 176.870 -0.015 0.000 1.083 46 L CA 0.370 55.255 54.840 0.075 0.000 0.790 46 L CB -0.437 41.672 42.059 0.084 0.000 0.942 46 L HN 0.286 nan 8.230 nan 0.000 0.452 47 L N 0.049 121.166 121.223 -0.177 0.000 2.079 47 L HA -0.267 4.124 4.340 0.085 0.000 0.210 47 L C 2.473 179.287 176.870 -0.093 0.000 1.081 47 L CA 2.079 56.740 54.840 -0.297 0.000 0.752 47 L CB -0.639 40.998 42.059 -0.703 0.000 0.896 47 L HN 0.231 nan 8.230 nan 0.000 0.433 48 F N 0.143 120.029 119.950 -0.107 0.000 2.113 48 F HA -0.215 4.363 4.527 0.085 0.000 0.297 48 F C 2.625 178.441 175.800 0.027 0.000 1.103 48 F CA 1.807 59.799 58.000 -0.014 0.000 1.248 48 F CB -0.754 38.270 39.000 0.040 0.000 0.999 48 F HN 0.133 nan 8.300 nan 0.000 0.475 49 C N 1.280 120.499 119.300 -0.134 0.000 2.413 49 C HA -0.099 4.412 4.460 0.085 0.000 0.277 49 C C 3.092 177.994 174.990 -0.146 0.000 1.228 49 C CA 1.156 60.051 59.018 -0.204 0.000 1.731 49 C CB -1.970 25.785 27.740 0.025 0.000 2.042 49 C HN 0.744 nan 8.230 nan 0.000 0.468 50 G N 0.689 109.452 108.800 -0.061 0.000 2.719 50 G HA2 -0.173 3.838 3.960 0.085 0.000 0.219 50 G HA3 -0.173 3.838 3.960 0.085 0.000 0.219 50 G C 1.191 176.113 174.900 0.036 0.000 1.234 50 G CA 1.105 46.191 45.100 -0.022 0.000 0.788 50 G HN 0.821 nan 8.290 nan 0.000 0.619 51 A N -0.445 122.388 122.820 0.022 0.000 3.004 51 A HA 0.611 4.982 4.320 0.085 0.000 0.252 51 A C 1.038 178.705 177.584 0.137 0.000 1.802 51 A CA 0.903 53.093 52.037 0.254 0.000 1.424 51 A CB -0.486 18.622 19.000 0.180 0.000 1.005 51 A HN 0.552 nan 8.150 nan 0.000 0.631 52 M N -1.629 118.016 119.600 0.075 0.000 2.309 52 M HA 0.083 4.614 4.480 0.085 0.000 0.438 52 M C 0.076 176.388 176.300 0.020 0.000 1.004 52 M CA 0.336 55.617 55.300 -0.031 0.000 1.024 52 M CB 0.343 32.753 32.600 -0.317 0.000 2.095 52 M HN 0.437 nan 8.290 nan 0.000 0.701 53 C N -0.414 118.937 119.300 0.086 0.000 3.019 53 C HA 0.236 4.747 4.460 0.085 0.000 0.295 53 C C 1.565 176.645 174.990 0.151 0.000 1.256 53 C CA -0.257 58.816 59.018 0.092 0.000 1.706 53 C CB -1.035 26.759 27.740 0.090 0.000 2.153 53 C HN 0.874 nan 8.230 nan 0.000 0.618 54 W N -0.511 120.797 121.300 0.013 0.000 2.915 54 W HA 0.309 5.021 4.660 0.086 0.000 0.276 54 W C 1.652 178.226 176.519 0.092 0.000 1.215 54 W CA 0.027 57.389 57.345 0.028 0.000 1.514 54 W CB -0.305 29.167 29.460 0.019 0.000 1.017 54 W HN 0.144 nan 8.180 nan 0.000 0.598 55 F N 2.869 122.577 119.950 -0.403 0.000 2.179 55 F HA 0.238 4.817 4.527 0.085 0.000 0.292 55 F C -1.022 174.524 175.800 -0.424 0.000 1.089 55 F CA 0.020 57.595 58.000 -0.708 0.000 1.295 55 F CB -1.560 37.229 39.000 -0.351 0.000 1.041 55 F HN -0.294 nan 8.300 nan 0.000 0.487 56 P HA 0.016 nan 4.420 nan 0.000 0.274 56 P C -0.535 176.592 177.300 -0.288 0.000 1.370 56 P CA 0.795 63.710 63.100 -0.308 0.000 0.760 56 P CB -0.163 31.460 31.700 -0.128 0.000 1.308 57 N N -0.311 118.167 118.700 -0.370 0.000 2.711 57 N HA 0.273 5.064 4.740 0.085 0.000 0.140 57 N C -0.649 174.673 175.510 -0.313 0.000 1.711 57 N CA -0.395 52.493 53.050 -0.271 0.000 1.234 57 N CB 0.012 38.397 38.487 -0.169 0.000 0.931 57 N HN -0.284 nan 8.380 nan 0.000 0.489 58 R N 0.200 120.505 120.500 -0.325 0.000 2.994 58 R HA -0.169 4.222 4.340 0.085 0.000 0.267 58 R C -0.675 175.558 176.300 -0.112 0.000 0.914 58 R CA 0.350 56.317 56.100 -0.222 0.000 0.668 58 R CB -1.379 28.750 30.300 -0.285 0.000 1.524 58 R HN 0.380 nan 8.270 nan 0.000 0.478 59 R N 1.693 122.151 120.500 -0.071 0.000 2.984 59 R HA 0.073 4.465 4.340 0.085 0.000 0.252 59 R C -1.077 175.210 176.300 -0.023 0.000 1.842 59 R CA -0.646 55.432 56.100 -0.037 0.000 1.389 59 R CB 0.511 30.783 30.300 -0.048 0.000 1.454 59 R HN 0.330 nan 8.270 nan 0.000 0.578 60 H N 3.384 122.406 119.070 -0.080 0.000 3.157 60 H HA 0.097 4.705 4.556 0.085 0.000 0.260 60 H C 0.007 175.223 175.328 -0.187 0.000 1.232 60 H CA 0.511 56.449 56.048 -0.183 0.000 1.488 60 H CB 0.827 30.445 29.762 -0.241 0.000 1.548 60 H HN 0.435 nan 8.280 nan 0.000 0.487 61 K N 2.957 123.372 120.400 0.026 0.000 2.374 61 K HA 0.033 4.404 4.320 0.085 0.000 0.196 61 K C -0.187 176.479 176.600 0.110 0.000 1.023 61 K CA -0.265 56.053 56.287 0.051 0.000 1.103 61 K CB 0.281 32.800 32.500 0.031 0.000 0.848 61 K HN 0.685 nan 8.250 nan 0.000 0.528 62 H N 1.151 120.326 119.070 0.175 0.000 3.626 62 H HA -0.221 4.386 4.556 0.085 0.000 0.249 62 H C 0.805 176.161 175.328 0.046 0.000 0.626 62 H CA 1.188 57.300 56.048 0.107 0.000 0.738 62 H CB -0.028 29.748 29.762 0.023 0.000 1.252 62 H HN 0.378 nan 8.280 nan 0.000 0.285 63 E N 0.722 121.035 120.200 0.188 0.000 3.671 63 E HA -0.355 4.046 4.350 0.085 0.000 0.402 63 E C 0.963 177.586 176.600 0.038 0.000 1.493 63 E CA 2.339 58.787 56.400 0.080 0.000 1.548 63 E CB -0.674 29.054 29.700 0.046 0.000 1.459 63 E HN 0.671 nan 8.360 nan 0.000 0.351 64 L N -0.762 120.476 121.223 0.025 0.000 4.263 64 L HA -0.187 4.204 4.340 0.085 0.000 0.393 64 L C 0.225 177.074 176.870 -0.035 0.000 1.123 64 L CA 0.655 55.494 54.840 -0.002 0.000 0.981 64 L CB -1.421 40.634 42.059 -0.007 0.000 2.145 64 L HN 0.511 nan 8.230 nan 0.000 0.656 65 K N -1.543 118.834 120.400 -0.039 0.000 1.079 65 K HA -0.159 4.212 4.320 0.085 0.000 0.797 65 K C 1.145 177.676 176.600 -0.114 0.000 2.041 65 K CA 1.152 57.398 56.287 -0.069 0.000 1.300 65 K CB -1.386 31.073 32.500 -0.067 0.000 2.431 65 K HN 0.084 nan 8.250 nan 0.000 0.332 66 S N 0.367 115.968 115.700 -0.165 0.000 2.335 66 S HA -0.096 4.425 4.470 0.085 0.000 0.216 66 S C 1.391 175.801 174.600 -0.317 0.000 1.032 66 S CA 1.493 59.505 58.200 -0.313 0.000 1.000 66 S CB -0.228 62.764 63.200 -0.346 0.000 0.928 66 S HN 0.417 nan 8.310 nan 0.000 0.434 67 R N 1.019 121.423 120.500 -0.160 0.000 2.371 67 R HA -0.096 4.295 4.340 0.085 0.000 0.226 67 R C 0.873 177.192 176.300 0.032 0.000 1.132 67 R CA 1.142 57.249 56.100 0.013 0.000 1.027 67 R CB -0.361 29.800 30.300 -0.231 0.000 0.848 67 R HN 0.421 nan 8.270 nan 0.000 0.479 68 D N -0.835 119.539 120.400 -0.044 0.000 2.290 68 D HA 0.007 4.698 4.640 0.085 0.000 0.224 68 D C 1.917 178.244 176.300 0.044 0.000 0.967 68 D CA 1.141 55.129 54.000 -0.021 0.000 0.893 68 D CB -0.506 40.261 40.800 -0.055 0.000 1.037 68 D HN 0.181 nan 8.370 nan 0.000 0.477 69 G N 0.382 109.188 108.800 0.009 0.000 2.513 69 G HA2 -0.305 3.707 3.960 0.085 0.000 0.219 69 G HA3 -0.305 3.707 3.960 0.085 0.000 0.219 69 G C 1.544 176.578 174.900 0.223 0.000 1.160 69 G CA 0.553 45.693 45.100 0.066 0.000 0.767 69 G HN 0.240 nan 8.290 nan 0.000 0.571 70 F N 0.024 119.992 119.950 0.029 0.000 2.043 70 F HA -0.119 4.459 4.527 0.085 0.000 0.297 70 F C 2.676 178.493 175.800 0.028 0.000 1.121 70 F CA 0.798 58.788 58.000 -0.017 0.000 1.199 70 F CB -0.361 38.553 39.000 -0.143 0.000 0.968 70 F HN 0.102 nan 8.300 nan 0.000 0.478 71 L N 0.094 121.517 121.223 0.333 0.000 2.129 71 L HA -0.279 4.112 4.340 0.085 0.000 0.212 71 L C 2.128 179.102 176.870 0.173 0.000 1.087 71 L CA 0.868 55.860 54.840 0.254 0.000 0.757 71 L CB -0.375 41.831 42.059 0.244 0.000 0.896 71 L HN 0.098 nan 8.230 nan 0.000 0.434 72 I N -0.671 119.983 120.570 0.140 0.000 2.133 72 I HA -0.213 4.009 4.170 0.085 0.000 0.238 72 I C 2.646 178.831 176.117 0.114 0.000 1.074 72 I CA 1.859 63.217 61.300 0.096 0.000 1.342 72 I CB -1.356 36.670 38.000 0.043 0.000 1.053 72 I HN 0.318 nan 8.210 nan 0.000 0.404 73 V N -1.016 118.972 119.914 0.123 0.000 2.594 73 V HA -0.166 4.005 4.120 0.085 0.000 0.253 73 V C 2.435 178.694 176.094 0.275 0.000 1.069 73 V CA 1.326 63.724 62.300 0.164 0.000 1.082 73 V CB -1.258 30.679 31.823 0.190 0.000 0.680 73 V HN 0.161 nan 8.190 nan 0.000 0.469 74 V N -0.023 120.018 119.914 0.211 0.000 2.261 74 V HA -0.197 3.974 4.120 0.085 0.000 0.246 74 V C 2.624 178.848 176.094 0.216 0.000 1.047 74 V CA 2.284 64.707 62.300 0.205 0.000 1.015 74 V CB -0.724 31.174 31.823 0.124 0.000 0.642 74 V HN 0.473 nan 8.190 nan 0.000 0.446 75 L N -0.995 120.335 121.223 0.179 0.000 2.017 75 L HA -0.132 4.259 4.340 0.085 0.000 0.208 75 L C 2.178 179.122 176.870 0.123 0.000 1.073 75 L CA 1.813 56.745 54.840 0.152 0.000 0.745 75 L CB -1.273 40.866 42.059 0.134 0.000 0.894 75 L HN 0.355 nan 8.230 nan 0.000 0.432 76 F N -0.369 119.533 119.950 -0.081 0.000 2.039 76 F HA -0.342 4.236 4.527 0.085 0.000 0.296 76 F C 2.186 177.836 175.800 -0.251 0.000 1.119 76 F CA 1.940 59.785 58.000 -0.260 0.000 1.211 76 F CB -1.066 37.641 39.000 -0.488 0.000 0.956 76 F HN 0.101 nan 8.300 nan 0.000 0.496 77 W N -0.118 121.061 121.300 -0.202 0.000 2.381 77 W HA -0.124 4.587 4.660 0.084 0.000 0.301 77 W C 2.690 179.167 176.519 -0.070 0.000 1.205 77 W CA 1.417 58.601 57.345 -0.269 0.000 1.285 77 W CB -1.220 28.203 29.460 -0.062 0.000 1.133 77 W HN -0.078 nan 8.180 nan 0.000 0.521 78 T N 0.486 115.211 114.554 0.284 0.000 2.684 78 T HA -0.199 4.202 4.350 0.085 0.000 0.267 78 T C 1.783 176.616 174.700 0.221 0.000 1.036 78 T CA 1.805 64.100 62.100 0.325 0.000 1.148 78 T CB -0.602 68.410 68.868 0.240 0.000 0.863 78 T HN -0.127 nan 8.240 nan 0.000 0.436 79 V N 0.845 120.794 119.914 0.058 0.000 2.256 79 V HA -0.014 4.157 4.120 0.085 0.000 0.240 79 V C 2.335 178.316 176.094 -0.190 0.000 1.036 79 V CA 1.148 63.444 62.300 -0.006 0.000 1.008 79 V CB -0.526 31.295 31.823 -0.003 0.000 0.648 79 V HN 0.316 nan 8.190 nan 0.000 0.453 80 L N 1.206 122.191 121.223 -0.397 0.000 2.351 80 L HA -0.132 4.259 4.340 0.085 0.000 0.220 80 L C 2.313 178.777 176.870 -0.677 0.000 1.127 80 L CA 2.110 56.493 54.840 -0.762 0.000 0.786 80 L CB -1.296 40.161 42.059 -1.004 0.000 0.914 80 L HN 0.406 nan 8.230 nan 0.000 0.443 81 G N -2.435 106.021 108.800 -0.573 0.000 2.426 81 G HA2 -0.127 3.884 3.960 0.085 0.000 0.214 81 G HA3 -0.127 3.884 3.960 0.085 0.000 0.214 81 G C 1.718 176.118 174.900 -0.833 0.000 1.156 81 G CA 0.660 45.178 45.100 -0.969 0.000 0.802 81 G HN 0.375 nan 8.290 nan 0.000 0.534 82 S N 1.081 116.606 115.700 -0.291 0.000 2.355 82 S HA 0.044 4.565 4.470 0.085 0.000 0.222 82 S C 2.837 177.413 174.600 -0.040 0.000 1.031 82 S CA 1.083 59.345 58.200 0.102 0.000 0.993 82 S CB -0.406 63.014 63.200 0.368 0.000 0.859 82 S HN 0.545 nan 8.310 nan 0.000 0.453 83 A N 1.720 124.520 122.820 -0.034 0.000 1.884 83 A HA -0.101 4.270 4.320 0.085 0.000 0.219 83 A C 2.378 180.055 177.584 0.156 0.000 1.197 83 A CA 2.075 54.154 52.037 0.071 0.000 0.637 83 A CB -1.721 17.332 19.000 0.087 0.000 0.827 83 A HN 0.542 nan 8.150 nan 0.000 0.450 84 G N -0.269 108.628 108.800 0.161 0.000 2.550 84 G HA2 -0.288 3.723 3.960 0.085 0.000 0.222 84 G HA3 -0.288 3.723 3.960 0.085 0.000 0.222 84 G C 1.668 176.809 174.900 0.401 0.000 1.113 84 G CA 1.829 47.156 45.100 0.378 0.000 0.748 84 G HN 1.184 nan 8.290 nan 0.000 0.585 85 S N -0.555 115.216 115.700 0.118 0.000 2.786 85 S HA 0.251 4.772 4.470 0.085 0.000 0.223 85 S C 1.781 176.437 174.600 0.092 0.000 0.956 85 S CA 0.230 58.472 58.200 0.070 0.000 0.961 85 S CB 0.102 62.880 63.200 -0.704 0.000 0.784 85 S HN 0.108 nan 8.310 nan 0.000 0.519 86 L N 1.744 123.045 121.223 0.131 0.000 2.189 86 L HA 0.371 4.762 4.340 0.085 0.000 0.199 86 L C -1.208 175.673 176.870 0.019 0.000 1.074 86 L CA 0.693 55.579 54.840 0.076 0.000 0.783 86 L CB -1.131 40.977 42.059 0.082 0.000 0.955 86 L HN 0.104 nan 8.230 nan 0.000 0.460 87 P HA -0.143 nan 4.420 nan 0.000 0.219 87 P C 1.278 178.396 177.300 -0.304 0.000 1.146 87 P CA 1.476 64.366 63.100 -0.349 0.000 0.808 87 P CB -0.030 31.326 31.700 -0.573 0.000 0.779 88 F N -1.211 118.782 119.950 0.072 0.000 2.074 88 F HA -0.090 4.488 4.527 0.085 0.000 0.293 88 F C 2.398 178.211 175.800 0.022 0.000 1.116 88 F CA 0.867 58.909 58.000 0.070 0.000 1.212 88 F CB -1.514 37.556 39.000 0.117 0.000 0.998 88 F HN -0.203 nan 8.300 nan 0.000 0.471 89 L N 0.575 121.938 121.223 0.233 0.000 1.991 89 L HA -0.280 4.111 4.340 0.085 0.000 0.221 89 L C 2.257 179.172 176.870 0.076 0.000 1.079 89 L CA 2.162 57.087 54.840 0.141 0.000 0.778 89 L CB -1.092 41.039 42.059 0.120 0.000 0.893 89 L HN 0.178 nan 8.230 nan 0.000 0.437 90 I N 0.005 120.589 120.570 0.024 0.000 2.110 90 I HA -0.208 4.013 4.170 0.085 0.000 0.236 90 I C 1.652 177.740 176.117 -0.050 0.000 1.068 90 I CA 1.001 62.289 61.300 -0.021 0.000 1.333 90 I CB -0.514 37.449 38.000 -0.062 0.000 1.054 90 I HN 0.248 nan 8.210 nan 0.000 0.402 91 A N 1.518 124.267 122.820 -0.117 0.000 3.179 91 A HA -0.092 4.279 4.320 0.085 0.000 0.268 91 A C 0.052 177.612 177.584 -0.040 0.000 2.022 91 A CA 0.352 52.308 52.037 -0.135 0.000 1.504 91 A CB -1.128 17.712 19.000 -0.268 0.000 0.897 91 A HN 0.303 nan 8.150 nan 0.000 0.600 92 D N 0.977 121.369 120.400 -0.013 0.000 2.948 92 D HA 0.008 4.699 4.640 0.085 0.000 0.241 92 D C 0.614 176.916 176.300 0.003 0.000 1.198 92 D CA 0.399 54.408 54.000 0.015 0.000 0.926 92 D CB -0.011 40.803 40.800 0.022 0.000 1.151 92 D HN 0.611 nan 8.370 nan 0.000 0.441 93 N N 0.058 118.754 118.700 -0.007 0.000 2.517 93 N HA 0.049 4.840 4.740 0.085 0.000 0.202 93 N C -1.612 173.906 175.510 0.012 0.000 1.042 93 N CA 0.184 53.229 53.050 -0.009 0.000 0.952 93 N CB -0.762 37.706 38.487 -0.031 0.000 1.211 93 N HN 0.085 nan 8.380 nan 0.000 0.458 94 P HA 0.073 nan 4.420 nan 0.000 0.226 94 P C -1.020 176.321 177.300 0.068 0.000 1.758 94 P CA -0.164 62.968 63.100 0.054 0.000 0.896 94 P CB -0.646 31.106 31.700 0.086 0.000 1.784 95 N N 1.406 120.135 118.700 0.048 0.000 2.294 95 N HA -0.059 4.732 4.740 0.085 0.000 0.263 95 N C -0.594 174.953 175.510 0.061 0.000 1.281 95 N CA 0.152 53.234 53.050 0.053 0.000 0.846 95 N CB 0.213 38.721 38.487 0.035 0.000 1.061 95 N HN -0.010 nan 8.380 nan 0.000 0.478 96 I N 1.941 122.559 120.570 0.081 0.000 2.892 96 I HA 0.212 4.433 4.170 0.085 0.000 0.306 96 I C 0.477 176.637 176.117 0.071 0.000 1.078 96 I CA -0.439 60.901 61.300 0.067 0.000 1.032 96 I CB 1.848 39.888 38.000 0.065 0.000 1.229 96 I HN 0.586 nan 8.210 nan 0.000 0.435 97 S N 2.420 118.151 115.700 0.052 0.000 2.658 97 S HA 0.067 4.588 4.470 0.085 0.000 0.249 97 S C 1.000 175.670 174.600 0.116 0.000 1.363 97 S CA 0.645 58.887 58.200 0.069 0.000 0.964 97 S CB 0.602 63.825 63.200 0.038 0.000 0.973 97 S HN 0.609 nan 8.310 nan 0.000 0.588 98 V N 1.219 121.231 119.914 0.162 0.000 2.436 98 V HA 0.015 4.186 4.120 0.085 0.000 0.240 98 V C 2.586 178.899 176.094 0.365 0.000 1.040 98 V CA 2.345 64.816 62.300 0.285 0.000 1.052 98 V CB -1.092 30.922 31.823 0.319 0.000 0.707 98 V HN 1.138 nan 8.190 nan 0.000 0.469 99 T N -2.622 112.049 114.554 0.194 0.000 2.788 99 T HA -0.202 4.199 4.350 0.085 0.000 0.268 99 T C 1.604 176.266 174.700 -0.064 0.000 1.044 99 T CA 1.706 63.752 62.100 -0.091 0.000 1.139 99 T CB -0.649 68.042 68.868 -0.296 0.000 0.867 99 T HN 0.464 nan 8.240 nan 0.000 0.454 100 D N 2.066 122.457 120.400 -0.015 0.000 2.104 100 D HA 0.028 4.719 4.640 0.085 0.000 0.194 100 D C 2.506 178.795 176.300 -0.018 0.000 0.994 100 D CA 1.615 55.587 54.000 -0.046 0.000 0.830 100 D CB -0.771 39.997 40.800 -0.054 0.000 0.959 100 D HN 0.542 nan 8.370 nan 0.000 0.452 101 A N -0.169 122.671 122.820 0.033 0.000 1.908 101 A HA -0.181 4.190 4.320 0.085 0.000 0.218 101 A C 2.154 179.733 177.584 -0.009 0.000 1.181 101 A CA 1.133 53.155 52.037 -0.025 0.000 0.627 101 A CB -1.072 18.012 19.000 0.140 0.000 0.818 101 A HN 0.198 nan 8.150 nan 0.000 0.445 102 F N -1.626 118.384 119.950 0.100 0.000 2.134 102 F HA -0.096 4.482 4.527 0.086 0.000 0.299 102 F C 2.037 177.946 175.800 0.182 0.000 1.097 102 F CA 1.786 59.906 58.000 0.200 0.000 1.264 102 F CB -0.485 38.609 39.000 0.158 0.000 1.001 102 F HN 0.354 nan 8.300 nan 0.000 0.479 103 F N 0.978 120.955 119.950 0.044 0.000 2.060 103 F HA -0.190 4.387 4.527 0.085 0.000 0.295 103 F C 2.453 178.222 175.800 -0.052 0.000 1.120 103 F CA 1.562 59.525 58.000 -0.061 0.000 1.205 103 F CB -0.348 38.531 39.000 -0.202 0.000 0.986 103 F HN -0.120 nan 8.300 nan 0.000 0.470 104 E N -0.337 119.970 120.200 0.178 0.000 2.463 104 E HA -0.155 4.246 4.350 0.085 0.000 0.201 104 E C 1.877 178.381 176.600 -0.160 0.000 1.045 104 E CA 0.993 57.356 56.400 -0.061 0.000 0.872 104 E CB -0.194 29.235 29.700 -0.451 0.000 0.797 104 E HN 0.349 nan 8.360 nan 0.000 0.538 105 S N -1.528 114.143 115.700 -0.047 0.000 2.438 105 S HA 0.054 4.575 4.470 0.085 0.000 0.220 105 S C 1.503 176.121 174.600 0.030 0.000 1.045 105 S CA 0.104 58.354 58.200 0.082 0.000 0.940 105 S CB -0.495 62.775 63.200 0.115 0.000 0.863 105 S HN 0.348 nan 8.310 nan 0.000 0.539 106 F N 2.050 121.999 119.950 -0.001 0.000 2.161 106 F HA -0.053 4.525 4.527 0.086 0.000 0.300 106 F C 3.031 178.733 175.800 -0.163 0.000 1.089 106 F CA 1.575 59.536 58.000 -0.065 0.000 1.282 106 F CB -0.433 38.506 39.000 -0.101 0.000 1.010 106 F HN 0.316 nan 8.300 nan 0.000 0.485 107 S N -0.426 115.245 115.700 -0.049 0.000 2.406 107 S HA -0.100 4.421 4.470 0.085 0.000 0.228 107 S C 2.199 176.732 174.600 -0.111 0.000 1.020 107 S CA 0.932 59.035 58.200 -0.162 0.000 0.965 107 S CB -0.419 62.679 63.200 -0.170 0.000 0.798 107 S HN 0.293 nan 8.310 nan 0.000 0.488 108 A N 1.305 124.199 122.820 0.123 0.000 1.873 108 A HA 0.078 4.449 4.320 0.085 0.000 0.215 108 A C 2.137 179.733 177.584 0.020 0.000 1.186 108 A CA 1.496 53.673 52.037 0.233 0.000 0.616 108 A CB -0.917 18.347 19.000 0.440 0.000 0.823 108 A HN 0.553 nan 8.150 nan 0.000 0.442 109 L N -0.159 121.077 121.223 0.022 0.000 2.017 109 L HA -0.084 4.307 4.340 0.085 0.000 0.208 109 L C 2.001 178.900 176.870 0.049 0.000 1.073 109 L CA 2.495 57.367 54.840 0.054 0.000 0.745 109 L CB -0.642 41.417 42.059 -0.000 0.000 0.894 109 L HN 0.318 nan 8.230 nan 0.000 0.432 110 T N -0.590 113.913 114.554 -0.084 0.000 3.284 110 T HA -0.038 4.363 4.350 0.085 0.000 0.252 110 T C 0.893 175.438 174.700 -0.258 0.000 1.144 110 T CA 0.878 62.829 62.100 -0.248 0.000 1.021 110 T CB -1.293 67.409 68.868 -0.277 0.000 0.984 110 T HN 0.670 nan 8.240 nan 0.000 0.545 111 T N 0.293 114.722 114.554 -0.209 0.000 3.622 111 T HA -0.270 4.132 4.350 0.085 0.000 0.380 111 T C 0.917 175.425 174.700 -0.320 0.000 0.764 111 T CA 1.335 63.277 62.100 -0.263 0.000 1.908 111 T CB -2.193 66.570 68.868 -0.175 0.000 1.771 111 T HN 0.443 nan 8.240 nan 0.000 0.706 112 T N 0.559 114.895 114.554 -0.363 0.000 2.739 112 T HA 0.465 4.866 4.350 0.085 0.000 0.249 112 T C 1.907 176.366 174.700 -0.402 0.000 1.050 112 T CA 1.019 62.913 62.100 -0.343 0.000 1.165 112 T CB -0.652 68.021 68.868 -0.324 0.000 0.872 112 T HN 1.868 nan 8.240 nan 0.000 0.411 113 G N 1.045 109.513 108.800 -0.554 0.000 2.151 113 G HA2 0.155 4.166 3.960 0.085 0.000 0.156 113 G HA3 0.155 4.166 3.960 0.085 0.000 0.156 113 G C -0.046 174.807 174.900 -0.079 0.000 1.017 113 G CA -0.215 44.521 45.100 -0.606 0.000 0.686 113 G HN 0.817 nan 8.290 nan 0.000 0.503 114 A N 0.238 123.047 122.820 -0.019 0.000 2.288 114 A HA 0.859 5.230 4.320 0.085 0.000 0.320 114 A C 0.257 178.013 177.584 0.286 0.000 1.217 114 A CA 0.207 52.263 52.037 0.031 0.000 0.840 114 A CB 1.256 20.005 19.000 -0.419 0.000 1.179 114 A HN 0.562 nan 8.150 nan 0.000 0.504 115 T N 1.416 116.094 114.554 0.207 0.000 2.855 115 T HA 0.459 4.860 4.350 0.085 0.000 0.281 115 T C 1.135 175.836 174.700 0.002 0.000 1.007 115 T CA 0.152 62.326 62.100 0.124 0.000 1.009 115 T CB 1.415 70.332 68.868 0.082 0.000 0.983 115 T HN 1.128 nan 8.240 nan 0.000 0.455 116 V N 0.904 120.770 119.914 -0.081 0.000 3.604 116 V HA 0.457 4.628 4.120 0.085 0.000 0.277 116 V C 0.524 176.590 176.094 -0.046 0.000 1.399 116 V CA -0.261 61.959 62.300 -0.134 0.000 1.034 116 V CB -0.485 31.148 31.823 -0.318 0.000 0.824 116 V HN 0.748 nan 8.190 nan 0.000 0.439 117 I N 0.635 121.181 120.570 -0.040 0.000 2.325 117 I HA 0.730 4.951 4.170 0.085 0.000 0.291 117 I C -0.302 175.836 176.117 0.036 0.000 1.019 117 I CA -0.284 61.008 61.300 -0.013 0.000 1.302 117 I CB 1.333 39.315 38.000 -0.030 0.000 1.401 117 I HN -0.049 nan 8.210 nan 0.000 0.485 118 V N 6.513 126.452 119.914 0.041 0.000 2.919 118 V HA 0.856 5.027 4.120 0.085 0.000 0.316 118 V C 0.903 177.013 176.094 0.027 0.000 1.077 118 V CA 0.188 62.518 62.300 0.050 0.000 0.977 118 V CB 1.482 33.318 31.823 0.021 0.000 1.039 118 V HN 1.356 nan 8.190 nan 0.000 0.441 119 G N 3.942 112.757 108.800 0.026 0.000 2.289 119 G HA2 -0.196 3.815 3.960 0.085 0.000 0.280 119 G HA3 -0.196 3.815 3.960 0.085 0.000 0.280 119 G C 0.198 175.116 174.900 0.030 0.000 1.089 119 G CA 0.571 45.681 45.100 0.018 0.000 0.939 119 G HN 1.612 nan 8.290 nan 0.000 0.499 120 L N -3.909 117.341 121.223 0.046 0.000 2.509 120 L HA 0.307 4.698 4.340 0.085 0.000 0.222 120 L C 1.918 178.825 176.870 0.061 0.000 1.123 120 L CA 0.528 55.404 54.840 0.059 0.000 0.856 120 L CB -0.221 41.875 42.059 0.063 0.000 0.985 120 L HN 0.045 nan 8.230 nan 0.000 0.456 121 D N 1.754 122.174 120.400 0.033 0.000 2.160 121 D HA -0.202 4.489 4.640 0.085 0.000 0.189 121 D C 0.412 176.708 176.300 -0.007 0.000 1.003 121 D CA 1.823 55.813 54.000 -0.016 0.000 0.846 121 D CB 0.089 40.839 40.800 -0.082 0.000 0.949 121 D HN 0.427 nan 8.370 nan 0.000 0.446 122 E N 0.280 120.476 120.200 -0.007 0.000 2.136 122 E HA 0.379 4.780 4.350 0.085 0.000 0.246 122 E C -0.480 176.130 176.600 0.017 0.000 1.017 122 E CA -0.089 56.309 56.400 -0.003 0.000 0.883 122 E CB 0.470 30.161 29.700 -0.016 0.000 1.199 122 E HN 0.113 nan 8.360 nan 0.000 0.447 123 L N 1.924 123.168 121.223 0.035 0.000 2.303 123 L HA 0.614 5.006 4.340 0.085 0.000 0.256 123 L C -2.120 174.773 176.870 0.038 0.000 1.034 123 L CA -2.650 52.219 54.840 0.048 0.000 0.832 123 L CB 1.919 44.028 42.059 0.084 0.000 1.403 123 L HN 0.226 nan 8.230 nan 0.000 0.419 124 P HA 0.021 nan 4.420 nan 0.000 0.264 124 P C -0.254 177.075 177.300 0.048 0.000 1.193 124 P CA -0.169 62.947 63.100 0.026 0.000 0.763 124 P CB 0.316 32.035 31.700 0.031 0.000 0.810 125 K N 2.247 122.613 120.400 -0.056 0.000 2.487 125 K HA 0.073 4.444 4.320 0.085 0.000 0.192 125 K C 1.258 177.884 176.600 0.042 0.000 1.027 125 K CA 0.717 56.898 56.287 -0.176 0.000 1.054 125 K CB -0.668 31.333 32.500 -0.832 0.000 0.824 125 K HN 0.360 nan 8.250 nan 0.000 0.510 126 A N 1.686 124.587 122.820 0.135 0.000 1.935 126 A HA 0.061 4.433 4.320 0.085 0.000 0.214 126 A C 2.130 180.042 177.584 0.547 0.000 1.178 126 A CA 0.454 52.680 52.037 0.314 0.000 0.640 126 A CB -0.158 19.020 19.000 0.297 0.000 0.825 126 A HN 0.134 nan 8.150 nan 0.000 0.447 127 I N -0.209 120.594 120.570 0.388 0.000 2.406 127 I HA -0.091 4.131 4.170 0.085 0.000 0.249 127 I C 2.302 178.674 176.117 0.424 0.000 1.122 127 I CA 0.768 62.307 61.300 0.398 0.000 1.431 127 I CB -0.715 37.416 38.000 0.217 0.000 1.087 127 I HN 0.207 nan 8.210 nan 0.000 0.424 128 L N 0.147 121.597 121.223 0.378 0.000 2.046 128 L HA -0.238 4.153 4.340 0.085 0.000 0.208 128 L C 2.492 179.634 176.870 0.452 0.000 1.077 128 L CA 1.881 56.950 54.840 0.382 0.000 0.747 128 L CB -1.183 41.131 42.059 0.425 0.000 0.896 128 L HN 0.123 nan 8.230 nan 0.000 0.432 129 F N -0.437 119.793 119.950 0.466 0.000 2.051 129 F HA -0.333 4.244 4.527 0.084 0.000 0.296 129 F C 2.690 178.735 175.800 0.407 0.000 1.122 129 F CA 1.802 60.054 58.000 0.420 0.000 1.201 129 F CB -0.753 38.514 39.000 0.447 0.000 0.978 129 F HN 0.148 nan 8.300 nan 0.000 0.472 130 Y N 1.552 122.062 120.300 0.350 0.000 2.173 130 Y HA -0.316 4.285 4.550 0.084 0.000 0.282 130 Y C 2.564 178.615 175.900 0.252 0.000 1.192 130 Y CA 2.096 60.308 58.100 0.187 0.000 1.176 130 Y CB -0.816 37.783 38.460 0.232 0.000 0.969 130 Y HN 0.080 nan 8.280 nan 0.000 0.519 131 R N -0.577 120.022 120.500 0.166 0.000 2.073 131 R HA -0.179 4.212 4.340 0.085 0.000 0.234 131 R C 2.291 178.723 176.300 0.220 0.000 1.134 131 R CA 1.738 57.911 56.100 0.123 0.000 0.952 131 R CB -0.143 30.189 30.300 0.053 0.000 0.850 131 R HN 0.438 nan 8.270 nan 0.000 0.433 132 Q N -0.466 119.443 119.800 0.181 0.000 2.123 132 Q HA -0.147 4.244 4.340 0.085 0.000 0.199 132 Q C 1.908 178.051 176.000 0.238 0.000 0.966 132 Q CA 1.114 57.056 55.803 0.232 0.000 0.845 132 Q CB -0.377 28.435 28.738 0.123 0.000 0.907 132 Q HN 0.321 nan 8.270 nan 0.000 0.439 133 F N 1.782 121.694 119.950 -0.064 0.000 2.046 133 F HA -0.202 4.376 4.527 0.084 0.000 0.297 133 F C 2.159 177.983 175.800 0.041 0.000 1.123 133 F CA 1.208 59.129 58.000 -0.131 0.000 1.199 133 F CB -0.292 38.615 39.000 -0.155 0.000 0.972 133 F HN -0.048 nan 8.300 nan 0.000 0.474 134 L N 0.100 121.428 121.223 0.175 0.000 2.151 134 L HA -0.329 4.062 4.340 0.085 0.000 0.215 134 L C 2.524 179.457 176.870 0.104 0.000 1.084 134 L CA 1.524 56.431 54.840 0.112 0.000 0.764 134 L CB -0.720 41.352 42.059 0.022 0.000 0.891 134 L HN 0.399 nan 8.230 nan 0.000 0.435 135 Q N -1.671 118.188 119.800 0.099 0.000 2.083 135 Q HA -0.241 4.150 4.340 0.085 0.000 0.198 135 Q C 1.997 178.034 176.000 0.062 0.000 0.969 135 Q CA 1.770 57.607 55.803 0.058 0.000 0.838 135 Q CB -0.333 28.437 28.738 0.053 0.000 0.900 135 Q HN 0.584 nan 8.270 nan 0.000 0.436 136 W N 1.128 122.283 121.300 -0.241 0.000 2.358 136 W HA -0.215 4.499 4.660 0.089 0.000 0.303 136 W C 1.945 178.293 176.519 -0.285 0.000 1.208 136 W CA 1.267 58.379 57.345 -0.388 0.000 1.274 136 W CB -0.561 28.234 29.460 -1.108 0.000 1.138 136 W HN 0.102 nan 8.180 nan 0.000 0.515 137 F N 0.763 120.434 119.950 -0.464 0.000 2.014 137 F HA -0.038 4.539 4.527 0.084 0.000 0.295 137 F C 2.489 178.130 175.800 -0.266 0.000 1.145 137 F CA 2.877 60.603 58.000 -0.458 0.000 1.178 137 F CB -1.047 37.757 39.000 -0.327 0.000 0.972 137 F HN -0.122 nan 8.300 nan 0.000 0.476 138 G N -0.270 108.712 108.800 0.304 0.000 2.545 138 G HA2 -0.331 3.680 3.960 0.085 0.000 0.222 138 G HA3 -0.331 3.680 3.960 0.085 0.000 0.222 138 G C 1.826 176.736 174.900 0.018 0.000 1.126 138 G CA 0.940 46.203 45.100 0.273 0.000 0.754 138 G HN 0.702 nan 8.290 nan 0.000 0.583 139 G N 0.300 109.029 108.800 -0.119 0.000 2.440 139 G HA2 -0.223 3.788 3.960 0.085 0.000 0.218 139 G HA3 -0.223 3.788 3.960 0.085 0.000 0.218 139 G C 1.728 176.260 174.900 -0.613 0.000 1.154 139 G CA 1.475 46.451 45.100 -0.207 0.000 0.767 139 G HN 0.432 nan 8.290 nan 0.000 0.552 140 M N 1.466 120.524 119.600 -0.902 0.000 2.123 140 M HA 0.190 4.721 4.480 0.085 0.000 0.263 140 M C 2.528 178.405 176.300 -0.707 0.000 1.069 140 M CA 1.708 56.306 55.300 -1.169 0.000 1.133 140 M CB -0.900 30.953 32.600 -1.245 0.000 1.356 140 M HN 0.116 nan 8.290 nan 0.000 0.415 141 G N -0.158 108.324 108.800 -0.529 0.000 2.549 141 G HA2 -0.233 3.778 3.960 0.085 0.000 0.222 141 G HA3 -0.233 3.778 3.960 0.085 0.000 0.222 141 G C 1.398 176.292 174.900 -0.011 0.000 1.100 141 G CA 1.279 46.235 45.100 -0.241 0.000 0.739 141 G HN 0.503 nan 8.290 nan 0.000 0.577 142 I N 1.025 121.569 120.570 -0.043 0.000 2.628 142 I HA 0.139 4.361 4.170 0.085 0.000 0.255 142 I C 2.608 178.622 176.117 -0.171 0.000 1.119 142 I CA -0.078 61.229 61.300 0.012 0.000 1.448 142 I CB -0.149 37.834 38.000 -0.028 0.000 1.133 142 I HN 0.295 nan 8.210 nan 0.000 0.438 143 I N -0.525 119.821 120.570 -0.373 0.000 2.252 143 I HA -0.137 4.084 4.170 0.085 0.000 0.245 143 I C 2.300 178.245 176.117 -0.285 0.000 1.102 143 I CA 1.805 62.857 61.300 -0.413 0.000 1.385 143 I CB -1.419 36.147 38.000 -0.724 0.000 1.064 143 I HN 0.148 nan 8.210 nan 0.000 0.414 144 V N -0.891 118.835 119.914 -0.313 0.000 2.970 144 V HA -0.062 4.110 4.120 0.085 0.000 0.260 144 V C 2.243 178.225 176.094 -0.187 0.000 1.100 144 V CA 1.040 63.198 62.300 -0.236 0.000 1.122 144 V CB -0.527 31.131 31.823 -0.275 0.000 0.721 144 V HN 0.431 nan 8.190 nan 0.000 0.483 145 L N 0.795 121.917 121.223 -0.168 0.000 2.270 145 L HA 0.374 4.765 4.340 0.085 0.000 0.210 145 L C 2.212 179.059 176.870 -0.038 0.000 1.104 145 L CA 1.714 56.501 54.840 -0.088 0.000 0.804 145 L CB -0.856 41.219 42.059 0.026 0.000 0.937 145 L HN 0.537 nan 8.230 nan 0.000 0.450 146 A N -1.367 121.419 122.820 -0.057 0.000 2.734 146 A HA 0.385 4.756 4.320 0.085 0.000 0.279 146 A C 1.150 178.714 177.584 -0.034 0.000 1.386 146 A CA 0.126 52.140 52.037 -0.038 0.000 0.987 146 A CB -0.080 18.890 19.000 -0.050 0.000 1.041 146 A HN 0.169 nan 8.150 nan 0.000 0.569 147 V N -2.127 117.765 119.914 -0.036 0.000 3.119 147 V HA 0.187 4.358 4.120 0.085 0.000 0.245 147 V C 1.472 177.556 176.094 -0.016 0.000 1.598 147 V CA 0.822 63.111 62.300 -0.019 0.000 1.116 147 V CB 0.259 32.069 31.823 -0.022 0.000 0.981 147 V HN 0.495 nan 8.190 nan 0.000 0.430 148 A N -0.527 122.273 122.820 -0.033 0.000 2.833 148 A HA 0.545 4.916 4.320 0.085 0.000 0.293 148 A C 0.933 178.513 177.584 -0.006 0.000 1.338 148 A CA 0.280 52.301 52.037 -0.026 0.000 0.959 148 A CB -0.110 18.858 19.000 -0.052 0.000 1.094 148 A HN 0.467 nan 8.150 nan 0.000 0.569 149 I N -2.067 118.509 120.570 0.011 0.000 4.730 149 I HA 0.089 4.310 4.170 0.085 0.000 0.332 149 I C 0.827 176.973 176.117 0.048 0.000 1.299 149 I CA 0.172 61.498 61.300 0.044 0.000 1.294 149 I CB 0.510 38.536 38.000 0.042 0.000 1.317 149 I HN 0.258 nan 8.210 nan 0.000 0.457 150 L N 2.236 123.474 121.223 0.025 0.000 2.127 150 L HA -0.052 4.339 4.340 0.085 0.000 0.211 150 L C -0.778 176.106 176.870 0.024 0.000 1.089 150 L CA 1.995 56.848 54.840 0.021 0.000 0.757 150 L CB -2.135 39.930 42.059 0.010 0.000 0.899 150 L HN 0.155 nan 8.230 nan 0.000 0.434 151 P HA -0.105 nan 4.420 nan 0.000 0.234 151 P C 0.950 178.261 177.300 0.019 0.000 1.162 151 P CA 1.141 64.247 63.100 0.011 0.000 0.759 151 P CB -0.016 31.686 31.700 0.003 0.000 0.813 152 V N -5.075 114.878 119.914 0.066 0.000 5.036 152 V HA 0.184 4.355 4.120 0.085 0.000 0.136 152 V C 1.679 177.863 176.094 0.151 0.000 1.061 152 V CA -0.181 62.199 62.300 0.133 0.000 1.300 152 V CB -1.046 30.962 31.823 0.310 0.000 1.903 152 V HN -0.088 nan 8.190 nan 0.000 0.543 153 L N 2.900 124.226 121.223 0.171 0.000 2.102 153 L HA 0.525 4.916 4.340 0.085 0.000 0.202 153 L C 1.668 178.560 176.870 0.038 0.000 1.076 153 L CA 2.396 57.291 54.840 0.092 0.000 0.761 153 L CB -1.085 41.019 42.059 0.075 0.000 0.921 153 L HN 0.616 nan 8.230 nan 0.000 0.444 154 G N 2.398 111.212 108.800 0.023 0.000 3.008 154 G HA2 0.348 4.359 3.960 0.085 0.000 0.272 154 G HA3 0.348 4.359 3.960 0.085 0.000 0.272 154 G C 0.325 175.223 174.900 -0.002 0.000 0.764 154 G CA -0.054 45.041 45.100 -0.008 0.000 2.029 154 G HN 0.545 nan 8.290 nan 0.000 0.587 155 I N -1.847 118.722 120.570 -0.002 0.000 3.078 155 I HA 0.755 4.976 4.170 0.085 0.000 0.318 155 I C 1.312 177.424 176.117 -0.009 0.000 1.016 155 I CA -0.483 60.816 61.300 -0.002 0.000 1.130 155 I CB 1.169 39.169 38.000 -0.000 0.000 1.397 155 I HN 0.356 nan 8.210 nan 0.000 0.570 156 G N 1.160 109.955 108.800 -0.008 0.000 2.258 156 G HA2 0.042 4.053 3.960 0.085 0.000 0.274 156 G HA3 0.042 4.053 3.960 0.085 0.000 0.274 156 G C 0.206 175.100 174.900 -0.010 0.000 1.021 156 G CA 0.354 45.448 45.100 -0.010 0.000 0.798 156 G HN 1.617 nan 8.290 nan 0.000 0.507 175 T N -3.407 111.126 114.554 -0.035 0.000 3.694 175 T HA 0.146 4.547 4.350 0.085 0.000 0.309 175 T C -2.201 172.499 174.700 0.001 0.000 0.869 175 T CA -0.012 62.088 62.100 -0.001 0.000 1.060 175 T CB -0.839 67.997 68.868 -0.052 0.000 1.119 175 T HN 0.521 nan 8.240 nan 0.000 0.576 176 P HA 0.416 nan 4.420 nan 0.000 0.266 176 P C 0.934 178.228 177.300 -0.011 0.000 1.381 176 P CA -0.034 63.050 63.100 -0.026 0.000 0.940 176 P CB 0.158 31.823 31.700 -0.059 0.000 1.435 177 R N -0.736 119.760 120.500 -0.007 0.000 2.507 177 R HA 0.186 4.577 4.340 0.085 0.000 0.230 177 R C 1.470 177.778 176.300 0.014 0.000 0.897 177 R CA -0.155 55.948 56.100 0.006 0.000 1.006 177 R CB -0.912 29.390 30.300 0.003 0.000 1.341 177 R HN -0.045 nan 8.270 nan 0.000 0.604 178 I N 2.664 123.237 120.570 0.006 0.000 2.423 178 I HA -0.106 4.116 4.170 0.085 0.000 0.254 178 I C 2.076 178.191 176.117 -0.004 0.000 1.151 178 I CA 1.250 62.551 61.300 0.002 0.000 1.421 178 I CB -0.093 37.903 38.000 -0.007 0.000 1.079 178 I HN 0.325 nan 8.210 nan 0.000 0.431 179 A N 0.318 123.139 122.820 0.001 0.000 1.835 179 A HA -0.168 4.204 4.320 0.085 0.000 0.215 179 A C 1.984 179.572 177.584 0.007 0.000 1.199 179 A CA 1.670 53.705 52.037 -0.003 0.000 0.615 179 A CB -0.807 18.196 19.000 0.005 0.000 0.838 179 A HN 0.497 nan 8.150 nan 0.000 0.444 180 E N 0.229 120.443 120.200 0.023 0.000 2.520 180 E HA -0.048 4.353 4.350 0.085 0.000 0.201 180 E C 1.313 177.950 176.600 0.061 0.000 1.122 180 E CA 0.912 57.339 56.400 0.045 0.000 0.896 180 E CB -0.479 29.253 29.700 0.053 0.000 0.891 180 E HN 0.654 nan 8.360 nan 0.000 0.533 181 T N 0.544 115.122 114.554 0.040 0.000 2.815 181 T HA 0.051 4.452 4.350 0.085 0.000 0.244 181 T C 2.010 176.703 174.700 -0.012 0.000 1.040 181 T CA 0.944 63.068 62.100 0.040 0.000 1.176 181 T CB -0.262 68.626 68.868 0.033 0.000 0.880 181 T HN 0.265 nan 8.240 nan 0.000 0.414 182 A N 2.205 125.007 122.820 -0.030 0.000 1.903 182 A HA -0.276 4.095 4.320 0.085 0.000 0.219 182 A C 2.107 179.687 177.584 -0.007 0.000 1.191 182 A CA 2.675 54.681 52.037 -0.053 0.000 0.638 182 A CB -0.814 18.143 19.000 -0.072 0.000 0.823 182 A HN 0.429 nan 8.150 nan 0.000 0.451 183 K N 0.127 120.533 120.400 0.010 0.000 2.097 183 K HA -0.236 4.135 4.320 0.085 0.000 0.214 183 K C 1.899 178.566 176.600 0.112 0.000 1.052 183 K CA 2.481 58.789 56.287 0.034 0.000 0.932 183 K CB -0.795 31.746 32.500 0.068 0.000 0.716 183 K HN 0.453 nan 8.250 nan 0.000 0.455 184 A N 0.259 123.127 122.820 0.079 0.000 1.898 184 A HA -0.040 4.331 4.320 0.085 0.000 0.216 184 A C 2.301 179.909 177.584 0.041 0.000 1.181 184 A CA 1.597 53.656 52.037 0.037 0.000 0.620 184 A CB -0.622 18.107 19.000 -0.451 0.000 0.819 184 A HN 0.333 nan 8.150 nan 0.000 0.442 185 L N -1.792 119.410 121.223 -0.035 0.000 2.012 185 L HA -0.247 4.144 4.340 0.085 0.000 0.210 185 L C 2.627 179.537 176.870 0.067 0.000 1.073 185 L CA 1.603 56.447 54.840 0.007 0.000 0.748 185 L CB -0.711 41.283 42.059 -0.108 0.000 0.891 185 L HN 0.719 nan 8.230 nan 0.000 0.431 186 W N 0.848 122.043 121.300 -0.175 0.000 2.290 186 W HA -0.310 4.400 4.660 0.083 0.000 0.311 186 W C 2.456 178.897 176.519 -0.130 0.000 1.238 186 W CA 2.088 59.297 57.345 -0.227 0.000 1.255 186 W CB -0.658 28.550 29.460 -0.420 0.000 1.145 186 W HN 0.189 nan 8.180 nan 0.000 0.506 187 Y N -0.068 120.438 120.300 0.343 0.000 2.133 187 Y HA -0.274 4.326 4.550 0.084 0.000 0.287 187 Y C 2.705 178.727 175.900 0.203 0.000 1.134 187 Y CA 1.668 59.925 58.100 0.262 0.000 1.133 187 Y CB -1.110 37.445 38.460 0.159 0.000 0.987 187 Y HN -0.244 nan 8.280 nan 0.000 0.502 188 I N -0.946 119.830 120.570 0.344 0.000 2.194 188 I HA -0.357 3.864 4.170 0.085 0.000 0.246 188 I C 2.148 178.462 176.117 0.327 0.000 1.093 188 I CA 1.847 63.319 61.300 0.286 0.000 1.355 188 I CB -1.201 36.988 38.000 0.315 0.000 1.046 188 I HN 0.290 nan 8.210 nan 0.000 0.413 189 Y N 1.123 121.526 120.300 0.172 0.000 2.133 189 Y HA -0.193 4.410 4.550 0.088 0.000 0.287 189 Y C 2.546 178.504 175.900 0.097 0.000 1.134 189 Y CA 1.300 59.443 58.100 0.072 0.000 1.133 189 Y CB -0.446 37.829 38.460 -0.309 0.000 0.987 189 Y HN -0.044 nan 8.280 nan 0.000 0.502 190 L N -0.644 120.657 121.223 0.131 0.000 2.017 190 L HA -0.213 4.178 4.340 0.085 0.000 0.208 190 L C 2.637 179.634 176.870 0.211 0.000 1.073 190 L CA 2.288 57.257 54.840 0.214 0.000 0.745 190 L CB -1.567 40.704 42.059 0.354 0.000 0.894 190 L HN 0.375 nan 8.230 nan 0.000 0.432 191 S N -0.528 115.295 115.700 0.204 0.000 2.374 191 S HA -0.213 4.308 4.470 0.085 0.000 0.227 191 S C 2.113 176.791 174.600 0.129 0.000 1.037 191 S CA 1.516 59.803 58.200 0.144 0.000 1.024 191 S CB -0.111 63.145 63.200 0.094 0.000 0.861 191 S HN 0.441 nan 8.310 nan 0.000 0.456 192 L N 0.873 122.177 121.223 0.136 0.000 2.072 192 L HA -0.030 4.361 4.340 0.085 0.000 0.205 192 L C 2.964 179.962 176.870 0.213 0.000 1.079 192 L CA 1.611 56.570 54.840 0.198 0.000 0.752 192 L CB -0.857 41.299 42.059 0.161 0.000 0.906 192 L HN 0.541 nan 8.230 nan 0.000 0.436 193 T N -2.836 111.802 114.554 0.140 0.000 3.035 193 T HA -0.020 4.382 4.350 0.085 0.000 0.268 193 T C 1.649 176.381 174.700 0.053 0.000 1.109 193 T CA 0.698 62.872 62.100 0.123 0.000 1.119 193 T CB -0.177 68.856 68.868 0.276 0.000 0.900 193 T HN 0.197 nan 8.240 nan 0.000 0.503 194 I N 1.140 121.760 120.570 0.083 0.000 2.512 194 I HA 0.190 4.411 4.170 0.085 0.000 0.247 194 I C 3.114 179.248 176.117 0.028 0.000 1.094 194 I CA 0.658 61.985 61.300 0.046 0.000 1.427 194 I CB -0.508 37.540 38.000 0.079 0.000 1.149 194 I HN 0.256 nan 8.210 nan 0.000 0.438 195 A N -0.126 122.749 122.820 0.091 0.000 1.958 195 A HA -0.335 4.036 4.320 0.085 0.000 0.221 195 A C 2.457 180.061 177.584 0.033 0.000 1.178 195 A CA 2.318 54.436 52.037 0.135 0.000 0.642 195 A CB -1.349 17.795 19.000 0.240 0.000 0.816 195 A HN 0.636 nan 8.150 nan 0.000 0.453 196 C N -1.534 117.648 119.300 -0.198 0.000 2.587 196 C HA 0.283 4.794 4.460 0.085 0.000 0.282 196 C C 3.201 177.874 174.990 -0.529 0.000 1.277 196 C CA 1.092 59.566 59.018 -0.907 0.000 1.702 196 C CB -1.211 25.837 27.740 -1.154 0.000 2.113 196 C HN 0.742 nan 8.230 nan 0.000 0.490 197 A N -0.097 122.570 122.820 -0.255 0.000 1.997 197 A HA -0.203 4.168 4.320 0.085 0.000 0.221 197 A C 2.400 180.010 177.584 0.043 0.000 1.172 197 A CA 2.426 54.430 52.037 -0.056 0.000 0.645 197 A CB -1.248 17.709 19.000 -0.071 0.000 0.813 197 A HN 0.790 nan 8.150 nan 0.000 0.454 198 V N -0.506 119.413 119.914 0.009 0.000 2.270 198 V HA -0.083 4.088 4.120 0.085 0.000 0.245 198 V C 2.724 178.920 176.094 0.170 0.000 1.043 198 V CA 2.379 64.745 62.300 0.111 0.000 1.014 198 V CB -0.893 30.973 31.823 0.070 0.000 0.645 198 V HN 0.633 nan 8.190 nan 0.000 0.447 199 A N -0.699 122.136 122.820 0.025 0.000 1.978 199 A HA -0.188 4.184 4.320 0.085 0.000 0.220 199 A C 2.055 179.692 177.584 0.088 0.000 1.170 199 A CA 2.166 54.208 52.037 0.008 0.000 0.636 199 A CB -0.817 18.113 19.000 -0.117 0.000 0.810 199 A HN 0.603 nan 8.150 nan 0.000 0.448 200 F N -2.194 117.727 119.950 -0.048 0.000 2.206 200 F HA -0.026 4.549 4.527 0.080 0.000 0.298 200 F C 1.927 177.741 175.800 0.024 0.000 1.090 200 F CA -0.027 57.934 58.000 -0.065 0.000 1.323 200 F CB -0.986 37.939 39.000 -0.125 0.000 1.028 200 F HN 0.596 nan 8.300 nan 0.000 0.492 201 W N 0.397 121.762 121.300 0.107 0.000 2.381 201 W HA -0.141 4.522 4.660 0.004 0.000 0.301 201 W C 1.693 178.234 176.519 0.037 0.000 1.205 201 W CA 1.130 58.501 57.345 0.044 0.000 1.285 201 W CB -0.450 29.026 29.460 0.028 0.000 1.133 201 W HN -0.138 nan 8.180 nan 0.000 0.521 202 L N 1.344 122.577 121.223 0.018 0.000 2.191 202 L HA -0.086 4.305 4.340 0.085 0.000 0.212 202 L C 2.589 179.377 176.870 -0.138 0.000 1.103 202 L CA 1.969 56.709 54.840 -0.167 0.000 0.769 202 L CB -1.867 40.196 42.059 0.008 0.000 0.908 202 L HN 0.137 nan 8.230 nan 0.000 0.438 203 A N -0.945 121.860 122.820 -0.025 0.000 2.015 203 A HA 0.227 4.598 4.320 0.085 0.000 0.219 203 A C 1.960 179.515 177.584 -0.047 0.000 1.163 203 A CA 1.470 53.510 52.037 0.005 0.000 0.646 203 A CB -0.554 18.499 19.000 0.088 0.000 0.806 203 A HN 0.549 nan 8.150 nan 0.000 0.448 204 G N -2.878 105.834 108.800 -0.145 0.000 2.205 204 G HA2 -0.146 3.865 3.960 0.085 0.000 0.180 204 G HA3 -0.146 3.865 3.960 0.085 0.000 0.180 204 G C 0.179 174.979 174.900 -0.166 0.000 1.004 204 G CA -0.040 44.938 45.100 -0.203 0.000 0.670 204 G HN 0.273 nan 8.290 nan 0.000 0.496 205 M N 2.484 122.034 119.600 -0.084 0.000 2.252 205 M HA 0.229 4.761 4.480 0.085 0.000 0.348 205 M C 1.461 177.791 176.300 0.049 0.000 1.334 205 M CA 0.729 56.010 55.300 -0.032 0.000 1.071 205 M CB 0.530 33.054 32.600 -0.126 0.000 1.763 205 M HN 0.371 nan 8.290 nan 0.000 0.452 206 T N 3.470 118.054 114.554 0.049 0.000 2.939 206 T HA 0.016 4.417 4.350 0.085 0.000 0.312 206 T C -1.781 173.081 174.700 0.270 0.000 1.064 206 T CA -0.931 61.266 62.100 0.161 0.000 1.136 206 T CB 0.514 69.463 68.868 0.136 0.000 1.035 206 T HN 0.456 nan 8.240 nan 0.000 0.538 207 P HA -0.120 nan 4.420 nan 0.000 0.216 207 P C 1.205 178.623 177.300 0.195 0.000 1.157 207 P CA 1.138 64.390 63.100 0.253 0.000 0.880 207 P CB -0.166 31.630 31.700 0.159 0.000 0.791 208 F N 0.766 120.772 119.950 0.094 0.000 2.134 208 F HA -0.151 4.425 4.527 0.081 0.000 0.299 208 F C 1.137 176.951 175.800 0.023 0.000 1.097 208 F CA 1.629 59.641 58.000 0.019 0.000 1.264 208 F CB -0.850 38.062 39.000 -0.146 0.000 1.001 208 F HN -0.158 nan 8.300 nan 0.000 0.479 209 D N -0.285 120.111 120.400 -0.007 0.000 2.352 209 D HA 0.127 4.818 4.640 0.085 0.000 0.232 209 D C 1.544 177.694 176.300 -0.252 0.000 1.055 209 D CA 0.775 54.686 54.000 -0.148 0.000 0.891 209 D CB 0.053 40.824 40.800 -0.048 0.000 0.897 209 D HN 0.365 nan 8.370 nan 0.000 0.529 210 A N -0.654 122.102 122.820 -0.107 0.000 2.127 210 A HA 0.237 4.608 4.320 0.085 0.000 0.204 210 A C 1.709 179.272 177.584 -0.034 0.000 1.243 210 A CA -0.064 51.965 52.037 -0.013 0.000 0.887 210 A CB 0.276 19.371 19.000 0.159 0.000 0.933 210 A HN 0.171 nan 8.150 nan 0.000 0.479 211 I N 0.353 120.804 120.570 -0.197 0.000 3.854 211 I HA -0.043 4.179 4.170 0.085 0.000 0.312 211 I C 2.165 177.797 176.117 -0.808 0.000 1.273 211 I CA 1.136 62.176 61.300 -0.432 0.000 1.298 211 I CB 0.433 38.218 38.000 -0.358 0.000 1.071 211 I HN 0.409 nan 8.210 nan 0.000 0.428 212 S N -1.257 114.106 115.700 -0.562 0.000 2.503 212 S HA -0.001 4.520 4.470 0.085 0.000 0.217 212 S C 1.620 176.129 174.600 -0.152 0.000 0.999 212 S CA 0.325 58.218 58.200 -0.511 0.000 0.914 212 S CB -0.213 62.608 63.200 -0.633 0.000 0.782 212 S HN 0.380 nan 8.310 nan 0.000 0.520 213 H N 1.176 120.119 119.070 -0.212 0.000 2.451 213 H HA 0.360 4.968 4.556 0.088 0.000 0.294 213 H C 2.226 177.657 175.328 0.172 0.000 1.028 213 H CA 1.109 57.119 56.048 -0.063 0.000 1.349 213 H CB -0.255 29.293 29.762 -0.356 0.000 1.444 213 H HN 0.443 nan 8.280 nan 0.000 0.538 214 S N -0.368 115.497 115.700 0.276 0.000 2.547 214 S HA -0.030 4.491 4.470 0.085 0.000 0.235 214 S C 1.629 176.361 174.600 0.220 0.000 0.980 214 S CA 0.411 58.738 58.200 0.211 0.000 0.941 214 S CB -0.447 62.773 63.200 0.033 0.000 0.763 214 S HN 0.358 nan 8.310 nan 0.000 0.532 215 F N 1.363 121.297 119.950 -0.026 0.000 2.094 215 F HA -0.033 4.548 4.527 0.089 0.000 0.291 215 F C 2.646 178.553 175.800 0.178 0.000 1.109 215 F CA 0.764 58.731 58.000 -0.056 0.000 1.221 215 F CB -0.312 38.578 39.000 -0.184 0.000 1.014 215 F HN 0.336 nan 8.300 nan 0.000 0.473 216 S N -1.589 114.341 115.700 0.382 0.000 2.650 216 S HA -0.074 4.447 4.470 0.085 0.000 0.219 216 S C 1.258 176.069 174.600 0.352 0.000 0.960 216 S CA 0.843 59.222 58.200 0.300 0.000 0.925 216 S CB -0.159 63.213 63.200 0.285 0.000 0.775 216 S HN 0.316 nan 8.310 nan 0.000 0.525 217 T N 0.814 115.616 114.554 0.414 0.000 3.042 217 T HA 0.258 4.659 4.350 0.085 0.000 0.245 217 T C 1.532 176.423 174.700 0.320 0.000 1.029 217 T CA 0.244 62.621 62.100 0.462 0.000 1.120 217 T CB -0.199 68.965 68.868 0.492 0.000 0.917 217 T HN 0.306 nan 8.240 nan 0.000 0.467 218 I N 2.052 122.797 120.570 0.293 0.000 2.439 218 I HA 0.153 4.374 4.170 0.085 0.000 0.251 218 I C 2.577 178.858 176.117 0.274 0.000 1.139 218 I CA 0.899 62.370 61.300 0.284 0.000 1.438 218 I CB -1.496 36.620 38.000 0.194 0.000 1.085 218 I HN 0.296 nan 8.210 nan 0.000 0.427 219 A N 0.583 123.541 122.820 0.231 0.000 2.259 219 A HA 0.122 4.493 4.320 0.085 0.000 0.208 219 A C 1.136 178.738 177.584 0.030 0.000 1.201 219 A CA -0.233 51.891 52.037 0.144 0.000 0.824 219 A CB -0.502 18.574 19.000 0.127 0.000 0.838 219 A HN 0.296 nan 8.150 nan 0.000 0.485 220 I N -1.103 119.489 120.570 0.036 0.000 6.272 220 I HA -0.291 3.930 4.170 0.085 0.000 0.126 220 I C 1.300 177.304 176.117 -0.188 0.000 1.619 220 I CA 0.807 62.066 61.300 -0.068 0.000 2.452 220 I CB -2.314 35.663 38.000 -0.039 0.000 3.064 220 I HN 0.370 nan 8.210 nan 0.000 0.279 221 G N 0.689 109.354 108.800 -0.226 0.000 2.610 221 G HA2 0.411 4.422 3.960 0.085 0.000 0.215 221 G HA3 0.411 4.422 3.960 0.085 0.000 0.215 221 G C 1.194 175.796 174.900 -0.497 0.000 1.243 221 G CA 1.214 46.121 45.100 -0.321 0.000 0.847 221 G HN 1.208 nan 8.290 nan 0.000 0.560 222 G N -1.573 106.870 108.800 -0.594 0.000 2.296 222 G HA2 -0.151 3.860 3.960 0.085 0.000 0.188 222 G HA3 -0.151 3.860 3.960 0.085 0.000 0.188 222 G C 0.176 175.073 174.900 -0.006 0.000 1.000 222 G CA -0.157 44.499 45.100 -0.740 0.000 0.672 222 G HN 0.274 nan 8.290 nan 0.000 0.483 223 F N 2.139 122.112 119.950 0.038 0.000 2.518 223 F HA 0.718 5.296 4.527 0.084 0.000 0.359 223 F C 0.907 176.786 175.800 0.133 0.000 1.118 223 F CA -0.350 57.717 58.000 0.112 0.000 1.287 223 F CB 1.573 40.610 39.000 0.062 0.000 1.132 223 F HN 0.098 nan 8.300 nan 0.000 0.587 224 S N 0.229 116.081 115.700 0.253 0.000 2.632 224 S HA 0.450 4.971 4.470 0.085 0.000 0.289 224 S C 0.745 175.399 174.600 0.090 0.000 1.115 224 S CA 0.027 58.205 58.200 -0.037 0.000 0.889 224 S CB 1.451 64.734 63.200 0.138 0.000 1.116 224 S HN 0.801 nan 8.310 nan 0.000 0.486 225 T N 0.953 115.652 114.554 0.242 0.000 2.643 225 T HA 0.062 4.464 4.350 0.085 0.000 0.256 225 T C 0.701 175.613 174.700 0.353 0.000 1.061 225 T CA 1.040 63.341 62.100 0.335 0.000 1.163 225 T CB -1.151 67.981 68.868 0.438 0.000 0.865 225 T HN 0.711 nan 8.240 nan 0.000 0.407 226 H N 2.098 121.332 119.070 0.273 0.000 3.152 226 H HA 0.083 4.690 4.556 0.085 0.000 0.328 226 H C 1.218 176.650 175.328 0.174 0.000 1.032 226 H CA 0.736 56.904 56.048 0.201 0.000 1.337 226 H CB 0.057 29.967 29.762 0.247 0.000 1.256 226 H HN 0.338 nan 8.280 nan 0.000 0.599 227 D N 1.977 122.489 120.400 0.187 0.000 2.144 227 D HA -0.052 4.639 4.640 0.085 0.000 0.200 227 D C 0.890 177.318 176.300 0.213 0.000 0.978 227 D CA 1.270 55.369 54.000 0.164 0.000 0.833 227 D CB 0.046 40.902 40.800 0.094 0.000 0.961 227 D HN 0.640 nan 8.370 nan 0.000 0.470 228 A N 0.458 123.416 122.820 0.230 0.000 3.105 228 A HA 0.442 4.813 4.320 0.085 0.000 0.272 228 A C 1.107 178.848 177.584 0.262 0.000 1.466 228 A CA 0.690 52.863 52.037 0.227 0.000 1.101 228 A CB -0.749 18.362 19.000 0.185 0.000 1.065 228 A HN 0.244 nan 8.150 nan 0.000 0.643 229 S N 0.447 116.322 115.700 0.292 0.000 4.034 229 S HA -0.366 4.155 4.470 0.085 0.000 0.539 229 S C 1.251 175.980 174.600 0.215 0.000 1.535 229 S CA 1.613 59.987 58.200 0.289 0.000 3.789 229 S CB -0.891 62.528 63.200 0.365 0.000 1.787 229 S HN 0.512 nan 8.310 nan 0.000 0.629 230 M N 2.568 122.239 119.600 0.117 0.000 2.700 230 M HA 0.097 4.628 4.480 0.085 0.000 0.249 230 M C 2.312 178.636 176.300 0.041 0.000 1.082 230 M CA 1.078 56.357 55.300 -0.036 0.000 1.077 230 M CB -2.321 30.201 32.600 -0.130 0.000 1.477 230 M HN 0.810 nan 8.290 nan 0.000 0.529 231 G N -0.360 108.518 108.800 0.131 0.000 2.469 231 G HA2 -0.272 3.739 3.960 0.085 0.000 0.219 231 G HA3 -0.272 3.739 3.960 0.085 0.000 0.219 231 G C 0.910 175.916 174.900 0.177 0.000 1.150 231 G CA 1.085 46.264 45.100 0.131 0.000 0.763 231 G HN 0.472 nan 8.290 nan 0.000 0.561 232 Y N -0.931 119.384 120.300 0.026 0.000 2.079 232 Y HA -0.341 4.258 4.550 0.082 0.000 0.322 232 Y C 0.059 175.983 175.900 0.040 0.000 0.850 232 Y CA 1.596 59.589 58.100 -0.179 0.000 1.946 232 Y CB -0.952 37.313 38.460 -0.325 0.000 0.837 232 Y HN 0.211 nan 8.280 nan 0.000 0.736 233 F N 1.925 121.805 119.950 -0.118 0.000 2.427 233 F HA 0.241 4.819 4.527 0.084 0.000 0.346 233 F C 0.491 176.287 175.800 -0.007 0.000 1.120 233 F CA -1.445 56.488 58.000 -0.111 0.000 1.033 233 F CB 1.078 39.988 39.000 -0.150 0.000 1.126 233 F HN 0.234 nan 8.300 nan 0.000 0.462 234 D N 1.731 122.041 120.400 -0.150 0.000 2.387 234 D HA -0.068 4.623 4.640 0.085 0.000 0.257 234 D C 0.470 176.699 176.300 -0.119 0.000 1.198 234 D CA 0.407 54.336 54.000 -0.117 0.000 0.945 234 D CB -0.165 40.538 40.800 -0.162 0.000 0.907 234 D HN 0.304 nan 8.370 nan 0.000 0.518 235 S N -0.104 115.536 115.700 -0.100 0.000 2.455 235 S HA -0.011 4.510 4.470 0.085 0.000 0.278 235 S C 1.086 175.732 174.600 0.077 0.000 1.216 235 S CA -0.669 57.477 58.200 -0.090 0.000 1.055 235 S CB 0.410 63.604 63.200 -0.010 0.000 0.939 235 S HN 0.074 nan 8.310 nan 0.000 0.494 236 Y N 2.785 123.036 120.300 -0.081 0.000 2.465 236 Y HA -0.033 4.569 4.550 0.086 0.000 0.289 236 Y C 2.456 178.340 175.900 -0.027 0.000 1.150 236 Y CA 0.209 58.274 58.100 -0.058 0.000 1.293 236 Y CB -1.591 36.843 38.460 -0.043 0.000 0.977 236 Y HN 0.893 nan 8.280 nan 0.000 0.556 237 A N -0.077 122.816 122.820 0.122 0.000 1.929 237 A HA -0.059 4.312 4.320 0.085 0.000 0.216 237 A C 2.340 179.986 177.584 0.105 0.000 1.176 237 A CA 1.086 53.179 52.037 0.092 0.000 0.628 237 A CB -0.758 18.273 19.000 0.052 0.000 0.816 237 A HN 0.384 nan 8.150 nan 0.000 0.444 238 I N 0.009 120.626 120.570 0.078 0.000 2.193 238 I HA -0.191 4.030 4.170 0.085 0.000 0.240 238 I C 1.578 177.739 176.117 0.073 0.000 1.084 238 I CA 0.939 62.284 61.300 0.074 0.000 1.365 238 I CB -0.425 37.516 38.000 -0.099 0.000 1.064 238 I HN 0.225 nan 8.210 nan 0.000 0.410 239 N N 0.718 119.387 118.700 -0.051 0.000 2.513 239 N HA -0.135 4.656 4.740 0.085 0.000 0.187 239 N C 1.551 177.121 175.510 0.100 0.000 1.056 239 N CA 0.907 53.866 53.050 -0.151 0.000 0.907 239 N CB -0.113 38.174 38.487 -0.333 0.000 0.954 239 N HN 0.287 nan 8.380 nan 0.000 0.445 240 L N -0.098 121.201 121.223 0.128 0.000 2.357 240 L HA 0.211 4.602 4.340 0.085 0.000 0.211 240 L C 1.761 178.740 176.870 0.182 0.000 1.075 240 L CA 0.443 55.371 54.840 0.146 0.000 0.830 240 L CB -0.239 41.893 42.059 0.122 0.000 0.996 240 L HN 0.072 nan 8.230 nan 0.000 0.467 241 I N -0.210 120.477 120.570 0.194 0.000 2.162 241 I HA -0.259 3.962 4.170 0.085 0.000 0.238 241 I C 2.438 178.684 176.117 0.216 0.000 1.076 241 I CA 1.627 63.025 61.300 0.162 0.000 1.353 241 I CB -0.526 37.503 38.000 0.048 0.000 1.063 241 I HN 0.246 nan 8.210 nan 0.000 0.408 242 T N -0.036 114.710 114.554 0.319 0.000 2.635 242 T HA -0.261 4.140 4.350 0.085 0.000 0.267 242 T C 1.983 176.920 174.700 0.395 0.000 1.040 242 T CA 1.610 63.960 62.100 0.417 0.000 1.156 242 T CB -1.218 67.997 68.868 0.578 0.000 0.863 242 T HN 0.275 nan 8.240 nan 0.000 0.430 243 V N 1.207 121.356 119.914 0.392 0.000 2.453 243 V HA -0.170 4.001 4.120 0.085 0.000 0.252 243 V C 2.444 178.663 176.094 0.207 0.000 1.068 243 V CA 1.731 64.196 62.300 0.275 0.000 1.070 243 V CB -0.693 31.280 31.823 0.250 0.000 0.664 243 V HN 0.460 nan 8.190 nan 0.000 0.461 244 V N -0.396 119.656 119.914 0.230 0.000 2.244 244 V HA -0.181 3.991 4.120 0.085 0.000 0.244 244 V C 2.203 178.393 176.094 0.161 0.000 1.042 244 V CA 2.722 65.126 62.300 0.173 0.000 1.006 244 V CB -0.749 31.188 31.823 0.190 0.000 0.641 244 V HN 0.585 nan 8.190 nan 0.000 0.446 245 F N -0.651 119.329 119.950 0.049 0.000 2.451 245 F HA -0.072 4.507 4.527 0.087 0.000 0.299 245 F C 2.006 177.863 175.800 0.096 0.000 1.101 245 F CA 0.775 58.800 58.000 0.042 0.000 1.436 245 F CB -0.271 38.720 39.000 -0.015 0.000 1.074 245 F HN 0.110 nan 8.300 nan 0.000 0.553 246 L N -0.536 120.862 121.223 0.293 0.000 1.988 246 L HA -0.222 4.170 4.340 0.085 0.000 0.207 246 L C 2.388 179.360 176.870 0.171 0.000 1.071 246 L CA 1.068 56.040 54.840 0.219 0.000 0.744 246 L CB -0.811 41.363 42.059 0.192 0.000 0.893 246 L HN 0.106 nan 8.230 nan 0.000 0.433 247 L N -0.260 121.064 121.223 0.168 0.000 2.013 247 L HA -0.299 4.092 4.340 0.085 0.000 0.212 247 L C 2.572 179.505 176.870 0.105 0.000 1.073 247 L CA 1.686 56.644 54.840 0.196 0.000 0.753 247 L CB -0.631 41.525 42.059 0.161 0.000 0.890 247 L HN 0.295 nan 8.230 nan 0.000 0.432 248 I N -0.530 120.064 120.570 0.041 0.000 2.099 248 I HA -0.298 3.923 4.170 0.085 0.000 0.239 248 I C 2.641 178.787 176.117 0.049 0.000 1.066 248 I CA 1.582 62.873 61.300 -0.014 0.000 1.324 248 I CB -0.282 37.592 38.000 -0.209 0.000 1.037 248 I HN 0.211 nan 8.210 nan 0.000 0.401 249 S N 0.777 116.536 115.700 0.100 0.000 2.402 249 S HA -0.064 4.457 4.470 0.085 0.000 0.229 249 S C 1.943 176.702 174.600 0.264 0.000 1.021 249 S CA 1.091 59.448 58.200 0.261 0.000 0.974 249 S CB -0.290 63.099 63.200 0.314 0.000 0.800 249 S HN 0.528 nan 8.310 nan 0.000 0.484 250 A N -0.729 122.152 122.820 0.102 0.000 2.258 250 A HA 0.148 4.520 4.320 0.085 0.000 0.206 250 A C 0.905 178.325 177.584 -0.273 0.000 1.222 250 A CA 0.160 52.177 52.037 -0.034 0.000 0.822 250 A CB -0.590 18.403 19.000 -0.010 0.000 0.804 250 A HN 0.482 nan 8.150 nan 0.000 0.483 251 c N 0.835 119.337 118.600 -0.163 0.000 3.169 251 c HA 0.458 5.079 4.570 0.085 0.000 0.232 251 c C 0.199 174.166 174.090 -0.205 0.000 1.316 251 c CA -0.668 55.480 56.329 -0.301 0.000 1.545 251 c CB -2.333 39.944 42.510 -0.388 0.000 1.785 251 c HN 0.796 nan 8.230 nan 0.000 0.454 252 N N 1.259 119.952 118.700 -0.012 0.000 2.408 252 N HA -0.191 4.600 4.740 0.085 0.000 0.293 252 N C 0.187 175.693 175.510 -0.008 0.000 1.433 252 N CA 0.131 53.200 53.050 0.033 0.000 0.637 252 N CB -0.160 38.307 38.487 -0.032 0.000 0.941 252 N HN 0.542 nan 8.380 nan 0.000 0.499 253 F N 1.068 120.996 119.950 -0.037 0.000 2.502 253 F HA -0.056 4.521 4.527 0.085 0.000 0.298 253 F C 2.591 178.450 175.800 0.097 0.000 1.111 253 F CA 1.506 59.577 58.000 0.118 0.000 1.445 253 F CB -0.305 38.789 39.000 0.158 0.000 1.081 253 F HN 0.635 nan 8.300 nan 0.000 0.558 254 T N -2.849 111.828 114.554 0.204 0.000 3.085 254 T HA -0.032 4.369 4.350 0.085 0.000 0.263 254 T C 1.963 176.700 174.700 0.062 0.000 1.127 254 T CA 0.671 62.879 62.100 0.180 0.000 1.103 254 T CB -0.405 68.539 68.868 0.126 0.000 0.921 254 T HN 0.291 nan 8.240 nan 0.000 0.510 255 L N -0.437 120.775 121.223 -0.018 0.000 2.307 255 L HA 0.169 4.560 4.340 0.085 0.000 0.211 255 L C 2.574 179.400 176.870 -0.074 0.000 1.099 255 L CA 0.849 55.659 54.840 -0.050 0.000 0.816 255 L CB -0.289 41.824 42.059 0.090 0.000 0.952 255 L HN 0.363 nan 8.230 nan 0.000 0.455 256 H N -1.713 117.394 119.070 0.062 0.000 2.363 256 H HA -0.172 4.436 4.556 0.087 0.000 0.301 256 H C 1.948 177.248 175.328 -0.045 0.000 1.074 256 H CA 1.189 57.195 56.048 -0.070 0.000 1.354 256 H CB 0.099 29.818 29.762 -0.073 0.000 1.397 256 H HN 0.131 nan 8.280 nan 0.000 0.516 257 F N 1.851 121.818 119.950 0.028 0.000 2.192 257 F HA -0.212 4.366 4.527 0.085 0.000 0.301 257 F C 2.324 178.022 175.800 -0.170 0.000 1.079 257 F CA 1.102 59.102 58.000 0.000 0.000 1.303 257 F CB -0.821 38.191 39.000 0.020 0.000 1.024 257 F HN 0.150 nan 8.300 nan 0.000 0.494 258 A N -0.002 122.674 122.820 -0.240 0.000 1.873 258 A HA 0.058 4.429 4.320 0.085 0.000 0.215 258 A C 2.454 179.618 177.584 -0.699 0.000 1.186 258 A CA 1.708 53.305 52.037 -0.733 0.000 0.616 258 A CB -1.394 16.916 19.000 -1.150 0.000 0.823 258 A HN 0.349 nan 8.150 nan 0.000 0.442 259 A N -1.909 120.501 122.820 -0.684 0.000 2.067 259 A HA 0.208 4.579 4.320 0.085 0.000 0.219 259 A C 0.883 178.279 177.584 -0.314 0.000 1.158 259 A CA 1.067 52.703 52.037 -0.669 0.000 0.661 259 A CB -0.368 17.905 19.000 -1.211 0.000 0.801 259 A HN 0.471 nan 8.150 nan 0.000 0.452 260 F N -2.216 117.777 119.950 0.072 0.000 2.815 260 F HA 0.511 5.091 4.527 0.088 0.000 0.335 260 F C 1.299 177.198 175.800 0.164 0.000 1.179 260 F CA -0.704 57.365 58.000 0.116 0.000 1.204 260 F CB -0.256 38.811 39.000 0.111 0.000 1.050 260 F HN 0.147 nan 8.300 nan 0.000 0.510 261 A N -1.198 121.790 122.820 0.280 0.000 2.390 261 A HA 0.327 4.698 4.320 0.085 0.000 0.232 261 A C 1.840 179.496 177.584 0.120 0.000 1.233 261 A CA 1.114 53.296 52.037 0.242 0.000 0.907 261 A CB 0.184 19.261 19.000 0.128 0.000 0.967 261 A HN 0.242 nan 8.150 nan 0.000 0.512 262 S N -2.436 113.337 115.700 0.121 0.000 3.148 262 S HA 0.516 5.038 4.470 0.085 0.000 0.246 262 S C 1.188 175.871 174.600 0.138 0.000 1.041 262 S CA 1.644 59.903 58.200 0.098 0.000 0.813 262 S CB 0.325 63.570 63.200 0.075 0.000 0.813 262 S HN 1.550 nan 8.310 nan 0.000 0.546 263 G N 0.387 109.316 108.800 0.216 0.000 1.732 263 G HA2 0.058 4.069 3.960 0.085 0.000 0.054 263 G HA3 0.058 4.069 3.960 0.085 0.000 0.054 263 G C 0.712 175.828 174.900 0.359 0.000 0.951 263 G CA 0.133 45.392 45.100 0.264 0.000 1.146 263 G HN 1.089 nan 8.290 nan 0.000 0.353 264 G N 0.434 109.367 108.800 0.221 0.000 3.279 264 G HA2 0.393 4.404 3.960 0.085 0.000 0.230 264 G HA3 0.393 4.404 3.960 0.085 0.000 0.230 264 G C 0.880 175.626 174.900 -0.257 0.000 1.230 264 G CA 1.146 46.316 45.100 0.118 0.000 0.891 264 G HN 1.186 nan 8.290 nan 0.000 0.518 265 V N 1.001 120.876 119.914 -0.064 0.000 3.577 265 V HA 0.086 4.257 4.120 0.085 0.000 0.294 265 V C 2.068 178.157 176.094 -0.009 0.000 1.317 265 V CA 0.551 62.816 62.300 -0.058 0.000 1.169 265 V CB -0.933 30.964 31.823 0.123 0.000 1.011 265 V HN 0.741 nan 8.190 nan 0.000 0.426 266 H N 0.011 119.110 119.070 0.048 0.000 2.321 266 H HA 0.028 4.636 4.556 0.086 0.000 0.300 266 H C -0.271 174.986 175.328 -0.118 0.000 1.087 266 H CA 1.129 57.114 56.048 -0.104 0.000 1.319 266 H CB -2.353 27.375 29.762 -0.056 0.000 1.379 266 H HN 0.364 nan 8.280 nan 0.000 0.501 267 P HA -0.252 nan 4.420 nan 0.000 0.230 267 P C 0.963 178.283 177.300 0.034 0.000 0.895 267 P CA 1.831 64.958 63.100 0.046 0.000 1.085 267 P CB 0.098 31.759 31.700 -0.064 0.000 0.664 268 K N -2.211 118.187 120.400 -0.003 0.000 2.574 268 K HA -0.134 4.237 4.320 0.085 0.000 0.193 268 K C 2.063 178.640 176.600 -0.039 0.000 1.035 268 K CA 0.470 56.790 56.287 0.055 0.000 0.982 268 K CB -0.540 31.965 32.500 0.008 0.000 0.795 268 K HN 0.180 nan 8.250 nan 0.000 0.491 269 Y N -0.256 119.926 120.300 -0.197 0.000 2.181 269 Y HA -0.311 4.290 4.550 0.085 0.000 0.284 269 Y C 1.686 177.409 175.900 -0.296 0.000 1.179 269 Y CA 1.479 59.400 58.100 -0.299 0.000 1.179 269 Y CB -0.260 37.918 38.460 -0.470 0.000 0.973 269 Y HN 0.126 nan 8.280 nan 0.000 0.519 270 Y N -3.124 117.100 120.300 -0.127 0.000 2.163 270 Y HA -0.193 4.408 4.550 0.085 0.000 0.288 270 Y C 2.144 177.839 175.900 -0.342 0.000 1.112 270 Y CA 0.598 58.347 58.100 -0.586 0.000 1.104 270 Y CB -1.581 36.186 38.460 -1.155 0.000 1.016 270 Y HN 0.129 nan 8.280 nan 0.000 0.497 271 W N 2.033 123.264 121.300 -0.114 0.000 2.436 271 W HA -0.140 4.572 4.660 0.086 0.000 0.261 271 W C 1.606 178.181 176.519 0.093 0.000 1.222 271 W CA 1.127 58.534 57.345 0.103 0.000 1.191 271 W CB -0.265 29.263 29.460 0.113 0.000 1.132 271 W HN 0.088 nan 8.180 nan 0.000 0.596 272 K N -0.833 119.647 120.400 0.134 0.000 2.211 272 K HA -0.072 4.299 4.320 0.085 0.000 0.201 272 K C 0.245 176.883 176.600 0.064 0.000 1.052 272 K CA 0.469 56.761 56.287 0.009 0.000 0.973 272 K CB -0.231 32.249 32.500 -0.034 0.000 0.766 272 K HN -0.140 nan 8.250 nan 0.000 0.466 273 D N 0.959 121.439 120.400 0.132 0.000 2.425 273 D HA -0.005 4.686 4.640 0.085 0.000 0.247 273 D C -1.930 174.508 176.300 0.230 0.000 1.147 273 D CA -1.647 52.450 54.000 0.162 0.000 0.879 273 D CB 1.384 42.293 40.800 0.181 0.000 1.179 273 D HN -0.127 nan 8.370 nan 0.000 0.456 274 P HA -0.040 nan 4.420 nan 0.000 0.221 274 P C 0.928 178.334 177.300 0.177 0.000 1.155 274 P CA 0.468 63.656 63.100 0.147 0.000 0.812 274 P CB 0.227 31.972 31.700 0.075 0.000 0.801 275 E N -0.794 119.508 120.200 0.171 0.000 2.047 275 E HA -0.170 4.231 4.350 0.085 0.000 0.191 275 E C 1.790 178.527 176.600 0.229 0.000 0.987 275 E CA 0.778 57.276 56.400 0.163 0.000 0.799 275 E CB -0.501 29.267 29.700 0.114 0.000 0.752 275 E HN 0.110 nan 8.360 nan 0.000 0.449 276 F N 1.629 121.657 119.950 0.130 0.000 2.120 276 F HA -0.221 4.357 4.527 0.084 0.000 0.300 276 F C 2.440 178.410 175.800 0.284 0.000 1.095 276 F CA 1.668 59.767 58.000 0.166 0.000 1.249 276 F CB -0.036 39.044 39.000 0.132 0.000 0.995 276 F HN -0.112 nan 8.300 nan 0.000 0.480 277 R N 0.241 121.025 120.500 0.473 0.000 2.070 277 R HA -0.165 4.226 4.340 0.085 0.000 0.232 277 R C 2.572 178.997 176.300 0.208 0.000 1.138 277 R CA 1.437 57.765 56.100 0.380 0.000 0.936 277 R CB -1.051 29.486 30.300 0.394 0.000 0.839 277 R HN 0.425 nan 8.270 nan 0.000 0.429 278 A N 0.993 123.934 122.820 0.202 0.000 1.884 278 A HA -0.275 4.096 4.320 0.085 0.000 0.219 278 A C 2.033 179.732 177.584 0.191 0.000 1.197 278 A CA 1.899 54.050 52.037 0.191 0.000 0.637 278 A CB -1.003 18.091 19.000 0.158 0.000 0.827 278 A HN 0.524 nan 8.150 nan 0.000 0.450 279 F N 0.762 120.713 119.950 0.001 0.000 2.120 279 F HA -0.230 4.348 4.527 0.084 0.000 0.300 279 F C 1.905 177.636 175.800 -0.114 0.000 1.095 279 F CA 1.895 59.854 58.000 -0.070 0.000 1.249 279 F CB -0.118 38.796 39.000 -0.142 0.000 0.995 279 F HN 0.186 nan 8.300 nan 0.000 0.480 280 I N -0.108 120.266 120.570 -0.327 0.000 2.252 280 I HA -0.253 3.968 4.170 0.085 0.000 0.245 280 I C 2.437 178.425 176.117 -0.215 0.000 1.102 280 I CA 1.370 62.417 61.300 -0.422 0.000 1.385 280 I CB -1.564 36.285 38.000 -0.253 0.000 1.064 280 I HN 0.280 nan 8.210 nan 0.000 0.414 281 F N 2.280 122.137 119.950 -0.156 0.000 2.126 281 F HA -0.203 4.375 4.527 0.085 0.000 0.299 281 F C 2.371 178.110 175.800 -0.102 0.000 1.096 281 F CA 1.657 59.610 58.000 -0.078 0.000 1.255 281 F CB -0.435 38.561 39.000 -0.006 0.000 0.997 281 F HN -0.072 nan 8.300 nan 0.000 0.479 282 I N 0.032 120.451 120.570 -0.251 0.000 2.394 282 I HA -0.256 3.966 4.170 0.085 0.000 0.251 282 I C 2.231 178.149 176.117 -0.332 0.000 1.136 282 I CA 0.782 61.893 61.300 -0.315 0.000 1.425 282 I CB -0.537 37.384 38.000 -0.131 0.000 1.079 282 I HN 0.229 nan 8.210 nan 0.000 0.425 283 Q N 0.202 119.750 119.800 -0.421 0.000 2.137 283 Q HA -0.046 4.345 4.340 0.085 0.000 0.198 283 Q C 2.544 178.418 176.000 -0.209 0.000 0.960 283 Q CA 1.200 56.787 55.803 -0.360 0.000 0.847 283 Q CB -0.306 28.095 28.738 -0.562 0.000 0.915 283 Q HN 0.389 nan 8.270 nan 0.000 0.448 284 V N 1.269 121.045 119.914 -0.231 0.000 2.323 284 V HA -0.213 3.958 4.120 0.085 0.000 0.244 284 V C 2.417 178.486 176.094 -0.042 0.000 1.041 284 V CA 1.353 63.582 62.300 -0.119 0.000 1.025 284 V CB -0.694 31.066 31.823 -0.105 0.000 0.656 284 V HN 0.217 nan 8.190 nan 0.000 0.451 285 L N -0.638 120.432 121.223 -0.254 0.000 2.042 285 L HA -0.182 4.209 4.340 0.085 0.000 0.210 285 L C 2.336 179.157 176.870 -0.081 0.000 1.076 285 L CA 1.667 56.358 54.840 -0.248 0.000 0.749 285 L CB -0.231 41.461 42.059 -0.611 0.000 0.893 285 L HN 0.247 nan 8.230 nan 0.000 0.432 286 L N -1.233 119.944 121.223 -0.077 0.000 2.046 286 L HA -0.264 4.127 4.340 0.085 0.000 0.208 286 L C 2.427 179.358 176.870 0.103 0.000 1.077 286 L CA 1.751 56.599 54.840 0.013 0.000 0.747 286 L CB -0.330 41.730 42.059 0.001 0.000 0.896 286 L HN 0.433 nan 8.230 nan 0.000 0.432 287 F N -0.707 119.229 119.950 -0.024 0.000 2.146 287 F HA -0.231 4.347 4.527 0.085 0.000 0.298 287 F C 2.115 177.974 175.800 0.099 0.000 1.096 287 F CA 1.125 59.139 58.000 0.024 0.000 1.275 287 F CB -0.105 38.864 39.000 -0.050 0.000 1.008 287 F HN -0.113 nan 8.300 nan 0.000 0.480 288 L N 0.732 122.027 121.223 0.121 0.000 1.956 288 L HA -0.230 4.161 4.340 0.085 0.000 0.216 288 L C 2.579 179.433 176.870 -0.028 0.000 1.073 288 L CA 1.968 56.835 54.840 0.046 0.000 0.762 288 L CB -1.541 40.604 42.059 0.143 0.000 0.889 288 L HN 0.149 nan 8.230 nan 0.000 0.433 289 V N -1.361 118.560 119.914 0.013 0.000 2.490 289 V HA -0.313 3.858 4.120 0.085 0.000 0.250 289 V C 2.725 178.839 176.094 0.033 0.000 1.061 289 V CA 1.560 63.879 62.300 0.033 0.000 1.064 289 V CB -0.849 31.026 31.823 0.086 0.000 0.670 289 V HN 0.586 nan 8.190 nan 0.000 0.461 290 C N -0.494 118.814 119.300 0.013 0.000 2.500 290 C HA -0.055 4.456 4.460 0.085 0.000 0.279 290 C C 2.577 177.498 174.990 -0.115 0.000 1.288 290 C CA 0.671 59.700 59.018 0.019 0.000 1.710 290 C CB -0.864 26.937 27.740 0.102 0.000 2.052 290 C HN 0.646 nan 8.230 nan 0.000 0.488 291 F N 1.352 121.053 119.950 -0.415 0.000 2.186 291 F HA 0.019 4.598 4.527 0.086 0.000 0.299 291 F C 1.861 177.506 175.800 -0.258 0.000 1.090 291 F CA 1.648 59.383 58.000 -0.441 0.000 1.307 291 F CB -0.438 38.050 39.000 -0.853 0.000 1.019 291 F HN 0.153 nan 8.300 nan 0.000 0.489 292 L N -0.259 120.770 121.223 -0.322 0.000 2.156 292 L HA -0.146 4.245 4.340 0.085 0.000 0.208 292 L C 2.166 178.846 176.870 -0.316 0.000 1.095 292 L CA 0.784 55.414 54.840 -0.349 0.000 0.770 292 L CB -0.563 41.409 42.059 -0.145 0.000 0.914 292 L HN 0.186 nan 8.230 nan 0.000 0.439 293 L N -0.742 120.344 121.223 -0.228 0.000 2.492 293 L HA -0.077 4.314 4.340 0.085 0.000 0.223 293 L C 2.154 178.900 176.870 -0.208 0.000 1.132 293 L CA 0.328 55.072 54.840 -0.160 0.000 0.850 293 L CB -0.155 41.876 42.059 -0.047 0.000 0.966 293 L HN 0.286 nan 8.230 nan 0.000 0.454 294 L N -0.533 120.478 121.223 -0.353 0.000 2.395 294 L HA -0.084 4.308 4.340 0.085 0.000 0.218 294 L C 1.985 178.628 176.870 -0.379 0.000 1.130 294 L CA 0.812 55.386 54.840 -0.442 0.000 0.826 294 L CB 0.057 41.807 42.059 -0.516 0.000 0.941 294 L HN 0.334 nan 8.230 nan 0.000 0.451 295 L N -1.223 119.751 121.223 -0.415 0.000 2.470 295 L HA -0.005 4.386 4.340 0.085 0.000 0.219 295 L C 2.311 178.879 176.870 -0.503 0.000 1.071 295 L CA 0.281 54.877 54.840 -0.405 0.000 0.850 295 L CB -0.123 41.675 42.059 -0.434 0.000 1.040 295 L HN 0.042 nan 8.230 nan 0.000 0.475 296 K N -0.478 119.654 120.400 -0.447 0.000 2.148 296 K HA -0.106 4.266 4.320 0.085 0.000 0.204 296 K C 1.612 177.795 176.600 -0.695 0.000 1.050 296 K CA 1.143 57.109 56.287 -0.535 0.000 0.942 296 K CB 0.139 32.371 32.500 -0.446 0.000 0.724 296 K HN 0.333 nan 8.250 nan 0.000 0.446 297 H N -0.928 117.916 119.070 -0.376 0.000 2.594 297 H HA 0.088 4.695 4.556 0.085 0.000 0.279 297 H C -0.494 174.730 175.328 -0.173 0.000 1.042 297 H CA 0.076 55.976 56.048 -0.247 0.000 1.177 297 H CB 0.396 30.062 29.762 -0.160 0.000 1.524 297 H HN 0.274 nan 8.280 nan 0.000 0.537 298 H N -0.103 118.917 119.070 -0.082 0.000 2.692 298 H HA -0.126 4.481 4.556 0.085 0.000 0.316 298 H C 1.189 176.451 175.328 -0.109 0.000 1.176 298 H CA 0.698 56.694 56.048 -0.086 0.000 1.142 298 H CB -1.767 27.964 29.762 -0.052 0.000 1.475 298 H HN 0.270 nan 8.280 nan 0.000 0.423 299 S N -1.252 114.352 115.700 -0.159 0.000 2.453 299 S HA 0.030 4.551 4.470 0.085 0.000 0.231 299 S C 0.603 174.898 174.600 -0.509 0.000 1.005 299 S CA 0.733 58.709 58.200 -0.374 0.000 0.949 299 S CB 0.306 63.104 63.200 -0.670 0.000 0.774 299 S HN 0.441 nan 8.310 nan 0.000 0.510 300 Y N -0.354 119.958 120.300 0.021 0.000 2.545 300 Y HA 0.263 4.865 4.550 0.087 0.000 0.348 300 Y C 1.403 177.339 175.900 0.060 0.000 1.002 300 Y CA -1.040 57.093 58.100 0.056 0.000 1.039 300 Y CB 1.513 40.012 38.460 0.065 0.000 1.271 300 Y HN -0.076 nan 8.280 nan 0.000 0.467 301 T N -3.051 111.658 114.554 0.257 0.000 3.081 301 T HA 0.007 4.408 4.350 0.085 0.000 0.255 301 T C 0.335 175.103 174.700 0.112 0.000 1.113 301 T CA 0.241 62.425 62.100 0.138 0.000 1.082 301 T CB -0.132 68.797 68.868 0.103 0.000 0.939 301 T HN 0.434 nan 8.240 nan 0.000 0.506 302 S N 1.098 116.888 115.700 0.149 0.000 2.669 302 S HA 0.475 4.996 4.470 0.085 0.000 0.315 302 S C -2.657 172.024 174.600 0.135 0.000 1.106 302 S CA -1.467 56.798 58.200 0.109 0.000 1.107 302 S CB 1.940 65.223 63.200 0.138 0.000 0.990 302 S HN -0.146 nan 8.310 nan 0.000 0.471 303 P HA -0.117 nan 4.420 nan 0.000 0.229 303 P C 0.311 177.757 177.300 0.244 0.000 1.147 303 P CA 1.117 64.275 63.100 0.098 0.000 0.766 303 P CB -0.248 31.444 31.700 -0.013 0.000 0.775 304 Y N -0.658 119.748 120.300 0.177 0.000 2.201 304 Y HA -0.141 4.462 4.550 0.087 0.000 0.292 304 Y C 2.083 178.051 175.900 0.112 0.000 1.119 304 Y CA 0.343 58.544 58.100 0.169 0.000 1.127 304 Y CB -0.344 38.211 38.460 0.158 0.000 1.019 304 Y HN -0.079 nan 8.280 nan 0.000 0.514 305 D N 0.324 120.849 120.400 0.210 0.000 2.133 305 D HA -0.240 4.451 4.640 0.085 0.000 0.195 305 D C 2.141 178.463 176.300 0.037 0.000 0.997 305 D CA 1.436 55.389 54.000 -0.078 0.000 0.840 305 D CB -0.295 40.329 40.800 -0.293 0.000 0.947 305 D HN 0.350 nan 8.370 nan 0.000 0.452 306 A N 0.326 123.338 122.820 0.321 0.000 1.869 306 A HA -0.259 4.112 4.320 0.085 0.000 0.218 306 A C 2.103 180.004 177.584 0.530 0.000 1.203 306 A CA 1.548 53.859 52.037 0.457 0.000 0.638 306 A CB -1.262 17.902 19.000 0.273 0.000 0.831 306 A HN 0.315 nan 8.150 nan 0.000 0.450 307 F N 0.979 121.232 119.950 0.504 0.000 2.091 307 F HA -0.221 4.356 4.527 0.084 0.000 0.299 307 F C 1.958 177.869 175.800 0.185 0.000 1.103 307 F CA 2.243 60.447 58.000 0.340 0.000 1.228 307 F CB -0.484 38.641 39.000 0.210 0.000 0.984 307 F HN 0.414 nan 8.300 nan 0.000 0.477 308 D N -0.490 119.946 120.400 0.060 0.000 2.095 308 D HA -0.212 4.479 4.640 0.085 0.000 0.192 308 D C 2.174 178.483 176.300 0.015 0.000 0.990 308 D CA 1.914 55.812 54.000 -0.170 0.000 0.836 308 D CB -0.360 40.114 40.800 -0.543 0.000 0.979 308 D HN 0.304 nan 8.370 nan 0.000 0.447 309 Q N 0.092 119.965 119.800 0.122 0.000 2.061 309 Q HA -0.151 4.240 4.340 0.085 0.000 0.204 309 Q C 2.317 178.605 176.000 0.480 0.000 0.984 309 Q CA 1.495 57.506 55.803 0.346 0.000 0.846 309 Q CB -0.649 28.417 28.738 0.546 0.000 0.902 309 Q HN 0.412 nan 8.270 nan 0.000 0.421 310 A N 1.677 124.733 122.820 0.394 0.000 1.892 310 A HA -0.181 4.190 4.320 0.085 0.000 0.218 310 A C 2.079 179.862 177.584 0.332 0.000 1.188 310 A CA 1.387 53.623 52.037 0.332 0.000 0.631 310 A CB -0.780 18.316 19.000 0.159 0.000 0.822 310 A HN 0.365 nan 8.150 nan 0.000 0.447 311 L N -1.824 119.565 121.223 0.277 0.000 2.093 311 L HA -0.092 4.299 4.340 0.085 0.000 0.208 311 L C 2.300 179.306 176.870 0.226 0.000 1.085 311 L CA 2.111 57.116 54.840 0.275 0.000 0.755 311 L CB -0.871 41.102 42.059 -0.143 0.000 0.904 311 L HN 0.436 nan 8.230 nan 0.000 0.435 312 F N 1.212 121.220 119.950 0.096 0.000 2.051 312 F HA -0.247 4.331 4.527 0.086 0.000 0.296 312 F C 2.691 178.590 175.800 0.166 0.000 1.122 312 F CA 1.669 59.738 58.000 0.115 0.000 1.201 312 F CB -0.410 38.653 39.000 0.106 0.000 0.978 312 F HN 0.161 nan 8.300 nan 0.000 0.472 313 Q N 0.084 120.029 119.800 0.242 0.000 1.985 313 Q HA -0.224 4.167 4.340 0.085 0.000 0.207 313 Q C 2.223 178.290 176.000 0.110 0.000 0.996 313 Q CA 2.560 58.455 55.803 0.152 0.000 0.851 313 Q CB -2.102 26.837 28.738 0.336 0.000 0.921 313 Q HN 0.576 nan 8.270 nan 0.000 0.418 314 T N -1.894 112.780 114.554 0.200 0.000 3.093 314 T HA -0.003 4.398 4.350 0.085 0.000 0.270 314 T C 1.568 176.310 174.700 0.070 0.000 1.170 314 T CA 0.970 63.162 62.100 0.153 0.000 1.072 314 T CB -0.177 68.810 68.868 0.200 0.000 0.863 314 T HN 0.051 nan 8.240 nan 0.000 0.562 315 V N 0.515 120.437 119.914 0.013 0.000 3.137 315 V HA 0.040 4.211 4.120 0.085 0.000 0.236 315 V C 2.763 178.821 176.094 -0.061 0.000 1.260 315 V CA 0.829 63.120 62.300 -0.016 0.000 1.244 315 V CB 0.325 32.142 31.823 -0.010 0.000 1.016 315 V HN 0.635 nan 8.190 nan 0.000 0.477 316 S N 0.943 116.523 115.700 -0.199 0.000 2.377 316 S HA -0.065 4.456 4.470 0.085 0.000 0.223 316 S C 1.940 176.468 174.600 -0.120 0.000 1.030 316 S CA 1.591 59.660 58.200 -0.219 0.000 0.970 316 S CB -0.371 62.552 63.200 -0.462 0.000 0.830 316 S HN 0.592 nan 8.310 nan 0.000 0.473 317 I N 1.191 121.718 120.570 -0.072 0.000 3.030 317 I HA 0.048 4.270 4.170 0.085 0.000 0.270 317 I C 2.278 178.389 176.117 -0.010 0.000 1.211 317 I CA 1.010 62.294 61.300 -0.026 0.000 1.479 317 I CB -0.132 37.886 38.000 0.030 0.000 1.105 317 I HN 0.428 nan 8.210 nan 0.000 0.447 318 S N 0.897 116.604 115.700 0.011 0.000 2.368 318 S HA -0.174 4.348 4.470 0.085 0.000 0.224 318 S C 1.929 176.556 174.600 0.045 0.000 1.029 318 S CA 1.909 60.130 58.200 0.036 0.000 0.988 318 S CB -0.861 62.365 63.200 0.043 0.000 0.838 318 S HN 0.687 nan 8.310 nan 0.000 0.462 319 T N -0.510 114.069 114.554 0.042 0.000 3.219 319 T HA 0.178 4.579 4.350 0.085 0.000 0.249 319 T C 0.920 175.615 174.700 -0.010 0.000 1.099 319 T CA 0.948 63.084 62.100 0.059 0.000 0.988 319 T CB -0.985 67.935 68.868 0.086 0.000 0.999 319 T HN 0.993 nan 8.240 nan 0.000 0.550 320 T N -1.747 112.780 114.554 -0.046 0.000 4.096 320 T HA -0.274 4.127 4.350 0.085 0.000 0.343 320 T C 1.081 175.698 174.700 -0.138 0.000 0.756 320 T CA 1.002 63.045 62.100 -0.096 0.000 1.914 320 T CB -2.230 66.580 68.868 -0.097 0.000 1.873 320 T HN 0.909 nan 8.240 nan 0.000 0.850 321 A N 1.042 123.770 122.820 -0.153 0.000 1.843 321 A HA 0.667 5.038 4.320 0.085 0.000 0.213 321 A C 2.477 179.836 177.584 -0.374 0.000 1.239 321 A CA 1.199 53.078 52.037 -0.263 0.000 0.606 321 A CB -0.793 18.067 19.000 -0.234 0.000 0.903 321 A HN 2.400 nan 8.150 nan 0.000 0.455 322 G N -2.957 105.662 108.800 -0.300 0.000 2.183 322 G HA2 -0.065 3.946 3.960 0.085 0.000 0.168 322 G HA3 -0.065 3.946 3.960 0.085 0.000 0.168 322 G C -0.144 174.707 174.900 -0.082 0.000 1.008 322 G CA -0.149 44.833 45.100 -0.196 0.000 0.677 322 G HN 0.258 nan 8.290 nan 0.000 0.498 323 F N 1.965 121.923 119.950 0.012 0.000 2.418 323 F HA 0.668 5.248 4.527 0.087 0.000 0.341 323 F C 1.051 176.944 175.800 0.155 0.000 1.120 323 F CA 0.032 58.105 58.000 0.121 0.000 1.232 323 F CB 1.690 40.821 39.000 0.218 0.000 1.175 323 F HN 0.197 nan 8.300 nan 0.000 0.569 324 T N -1.891 112.959 114.554 0.495 0.000 2.916 324 T HA 0.455 4.856 4.350 0.085 0.000 0.298 324 T C 0.232 175.121 174.700 0.316 0.000 1.031 324 T CA -0.206 62.102 62.100 0.346 0.000 0.993 324 T CB 1.522 70.509 68.868 0.198 0.000 1.045 324 T HN 0.681 nan 8.240 nan 0.000 0.454 325 T N -0.203 114.498 114.554 0.244 0.000 2.985 325 T HA 0.296 4.697 4.350 0.085 0.000 0.254 325 T C 0.673 175.372 174.700 -0.001 0.000 1.021 325 T CA 0.088 62.239 62.100 0.085 0.000 0.957 325 T CB -0.024 68.824 68.868 -0.033 0.000 1.047 325 T HN 0.742 nan 8.240 nan 0.000 0.511 326 T N 0.250 114.706 114.554 -0.163 0.000 2.949 326 T HA 0.638 5.039 4.350 0.085 0.000 0.287 326 T C 1.249 175.751 174.700 -0.330 0.000 1.034 326 T CA -0.362 61.550 62.100 -0.314 0.000 1.018 326 T CB 1.644 70.054 68.868 -0.763 0.000 1.135 326 T HN 0.135 nan 8.240 nan 0.000 0.532 327 G N -0.846 107.835 108.800 -0.198 0.000 2.921 327 G HA2 0.342 4.353 3.960 0.085 0.000 0.213 327 G HA3 0.342 4.353 3.960 0.085 0.000 0.213 327 G C 0.046 174.952 174.900 0.009 0.000 1.143 327 G CA -0.618 44.459 45.100 -0.039 0.000 0.764 327 G HN 0.667 nan 8.290 nan 0.000 0.542 328 F N -0.946 118.837 119.950 -0.278 0.000 2.969 328 F HA -0.206 4.373 4.527 0.086 0.000 0.326 328 F C 1.925 177.713 175.800 -0.020 0.000 0.933 328 F CA -0.340 57.351 58.000 -0.515 0.000 1.229 328 F CB -1.835 36.894 39.000 -0.452 0.000 1.320 328 F HN 0.307 nan 8.300 nan 0.000 0.657 329 A N 0.304 123.264 122.820 0.233 0.000 2.481 329 A HA -0.242 4.129 4.320 0.085 0.000 0.204 329 A C 1.681 179.417 177.584 0.253 0.000 1.187 329 A CA 2.295 54.483 52.037 0.251 0.000 0.928 329 A CB -0.642 18.518 19.000 0.266 0.000 0.788 329 A HN 0.466 nan 8.150 nan 0.000 0.548 330 D N -1.749 118.782 120.400 0.219 0.000 2.336 330 D HA 0.177 4.868 4.640 0.085 0.000 0.228 330 D C -0.665 175.714 176.300 0.132 0.000 1.120 330 D CA -0.113 53.960 54.000 0.121 0.000 0.839 330 D CB -0.164 40.655 40.800 0.032 0.000 0.932 330 D HN 0.454 nan 8.370 nan 0.000 0.509 331 W N 2.050 123.345 121.300 -0.008 0.000 2.264 331 W HA 0.198 4.909 4.660 0.084 0.000 0.331 331 W C -1.799 174.722 176.519 0.004 0.000 1.364 331 W CA -1.811 55.557 57.345 0.039 0.000 1.253 331 W CB -0.281 29.319 29.460 0.233 0.000 1.215 331 W HN -0.066 nan 8.180 nan 0.000 0.561 332 P HA -0.080 nan 4.420 nan 0.000 0.264 332 P C 1.279 178.662 177.300 0.138 0.000 1.193 332 P CA -0.045 63.050 63.100 -0.008 0.000 0.763 332 P CB 0.570 32.190 31.700 -0.134 0.000 0.810 333 L N 3.409 124.679 121.223 0.077 0.000 2.054 333 L HA -0.283 4.108 4.340 0.085 0.000 0.220 333 L C 1.968 178.896 176.870 0.097 0.000 1.081 333 L CA 1.904 56.783 54.840 0.066 0.000 0.780 333 L CB -0.555 41.527 42.059 0.039 0.000 0.893 333 L HN 0.345 nan 8.230 nan 0.000 0.438 334 F N 0.388 120.336 119.950 -0.003 0.000 2.048 334 F HA -0.373 4.205 4.527 0.085 0.000 0.296 334 F C 2.233 178.070 175.800 0.062 0.000 1.109 334 F CA 2.337 60.348 58.000 0.019 0.000 1.214 334 F CB -0.529 38.474 39.000 0.004 0.000 0.963 334 F HN 0.010 nan 8.300 nan 0.000 0.491 335 L N -0.148 121.182 121.223 0.178 0.000 2.012 335 L HA -0.206 4.185 4.340 0.085 0.000 0.210 335 L C -0.385 176.489 176.870 0.007 0.000 1.073 335 L CA 1.803 56.736 54.840 0.156 0.000 0.748 335 L CB -2.106 40.262 42.059 0.515 0.000 0.891 335 L HN 0.175 nan 8.230 nan 0.000 0.431 336 P HA -0.147 nan 4.420 nan 0.000 0.213 336 P C 1.959 179.140 177.300 -0.198 0.000 1.170 336 P CA 1.287 64.141 63.100 -0.409 0.000 0.898 336 P CB -0.026 31.262 31.700 -0.687 0.000 0.787 337 V N -0.422 119.408 119.914 -0.140 0.000 2.317 337 V HA -0.252 3.919 4.120 0.085 0.000 0.251 337 V C 2.441 178.598 176.094 0.104 0.000 1.065 337 V CA 1.920 64.221 62.300 0.001 0.000 1.049 337 V CB -1.408 30.415 31.823 -0.000 0.000 0.651 337 V HN 0.071 nan 8.190 nan 0.000 0.450 338 L N -0.844 120.273 121.223 -0.178 0.000 2.093 338 L HA -0.080 4.311 4.340 0.085 0.000 0.208 338 L C 2.111 179.003 176.870 0.036 0.000 1.085 338 L CA 1.791 56.522 54.840 -0.181 0.000 0.755 338 L CB -0.464 41.259 42.059 -0.561 0.000 0.904 338 L HN 0.161 nan 8.230 nan 0.000 0.435 339 L N -0.939 120.288 121.223 0.008 0.000 2.156 339 L HA -0.102 4.289 4.340 0.085 0.000 0.208 339 L C 2.269 179.170 176.870 0.051 0.000 1.095 339 L CA 1.358 56.228 54.840 0.051 0.000 0.770 339 L CB -1.089 41.001 42.059 0.053 0.000 0.914 339 L HN 0.373 nan 8.230 nan 0.000 0.439 340 L N -1.743 119.499 121.223 0.031 0.000 2.131 340 L HA -0.161 4.230 4.340 0.085 0.000 0.210 340 L C 2.074 178.932 176.870 -0.021 0.000 1.092 340 L CA 1.740 56.564 54.840 -0.026 0.000 0.759 340 L CB -0.516 41.513 42.059 -0.050 0.000 0.903 340 L HN 0.130 nan 8.230 nan 0.000 0.435 341 F N -1.452 118.581 119.950 0.139 0.000 2.335 341 F HA -0.026 4.553 4.527 0.085 0.000 0.296 341 F C 2.778 178.721 175.800 0.238 0.000 1.091 341 F CA 1.147 59.304 58.000 0.262 0.000 1.399 341 F CB -0.731 38.326 39.000 0.095 0.000 1.067 341 F HN 0.113 nan 8.300 nan 0.000 0.520 342 S N 0.215 116.075 115.700 0.267 0.000 2.372 342 S HA -0.275 4.246 4.470 0.085 0.000 0.227 342 S C 2.376 177.046 174.600 0.116 0.000 1.044 342 S CA 1.995 60.291 58.200 0.161 0.000 1.050 342 S CB -0.743 62.518 63.200 0.100 0.000 0.901 342 S HN 0.471 nan 8.310 nan 0.000 0.447 343 S N -0.142 115.578 115.700 0.033 0.000 2.462 343 S HA -0.073 4.449 4.470 0.085 0.000 0.243 343 S C 1.372 175.883 174.600 -0.148 0.000 1.003 343 S CA 1.027 59.173 58.200 -0.089 0.000 0.970 343 S CB -0.992 62.086 63.200 -0.204 0.000 0.762 343 S HN 0.562 nan 8.310 nan 0.000 0.510 344 F N 0.538 120.474 119.950 -0.023 0.000 2.699 344 F HA 0.298 4.876 4.527 0.086 0.000 0.298 344 F C 1.287 177.058 175.800 -0.047 0.000 1.154 344 F CA 0.081 58.037 58.000 -0.073 0.000 1.457 344 F CB -0.221 38.721 39.000 -0.097 0.000 1.106 344 F HN 0.235 nan 8.300 nan 0.000 0.585 345 I N -1.337 119.319 120.570 0.144 0.000 5.682 345 I HA 0.428 4.649 4.170 0.085 0.000 0.235 345 I C 1.210 177.389 176.117 0.102 0.000 0.788 345 I CA 0.057 61.431 61.300 0.123 0.000 2.300 345 I CB -1.081 36.996 38.000 0.129 0.000 1.429 345 I HN -0.151 nan 8.210 nan 0.000 0.494 346 G N 0.521 109.398 108.800 0.129 0.000 3.153 346 G HA2 0.307 4.318 3.960 0.085 0.000 0.345 346 G HA3 0.307 4.318 3.960 0.085 0.000 0.345 346 G C 0.446 175.404 174.900 0.097 0.000 0.281 346 G CA 0.189 45.377 45.100 0.146 0.000 1.226 346 G HN 1.706 nan 8.290 nan 0.000 0.571 347 G N 0.997 109.846 108.800 0.082 0.000 3.081 347 G HA2 0.213 4.224 3.960 0.085 0.000 0.603 347 G HA3 0.213 4.224 3.960 0.085 0.000 0.603 347 G C 0.584 175.437 174.900 -0.078 0.000 1.106 347 G CA -0.030 45.042 45.100 -0.046 0.000 1.001 347 G HN 1.919 nan 8.290 nan 0.000 0.445 348 c N 1.438 119.902 118.600 -0.227 0.000 2.867 348 c HA 0.489 5.111 4.570 0.085 0.000 0.385 348 c C 1.976 176.033 174.090 -0.056 0.000 1.270 348 c CA 0.507 56.752 56.329 -0.140 0.000 2.000 348 c CB -0.392 41.993 42.510 -0.207 0.000 2.664 348 c HN 1.998 nan 8.230 nan 0.000 0.730 349 A N 1.082 123.889 122.820 -0.021 0.000 2.406 349 A HA 0.471 4.842 4.320 0.085 0.000 0.243 349 A C 1.359 178.940 177.584 -0.004 0.000 1.082 349 A CA 0.507 52.536 52.037 -0.013 0.000 0.786 349 A CB -0.755 18.239 19.000 -0.009 0.000 1.029 349 A HN 2.619 nan 8.150 nan 0.000 0.495 350 G N -0.091 108.703 108.800 -0.009 0.000 2.323 350 G HA2 -0.094 3.917 3.960 0.085 0.000 0.292 350 G HA3 -0.094 3.917 3.960 0.085 0.000 0.292 350 G C 0.359 175.280 174.900 0.034 0.000 1.040 350 G CA 0.946 46.045 45.100 -0.001 0.000 0.942 350 G HN 1.336 nan 8.290 nan 0.000 0.506 351 S N -2.013 113.689 115.700 0.003 0.000 2.993 351 S HA 0.809 5.330 4.470 0.085 0.000 0.281 351 S C 1.445 176.008 174.600 -0.062 0.000 1.033 351 S CA 0.837 59.071 58.200 0.056 0.000 0.950 351 S CB 0.973 64.194 63.200 0.035 0.000 1.349 351 S HN 0.988 nan 8.310 nan 0.000 0.652 352 T N -0.610 113.937 114.554 -0.012 0.000 3.228 352 T HA 0.435 4.836 4.350 0.085 0.000 0.278 352 T C 0.999 175.670 174.700 -0.049 0.000 1.014 352 T CA 0.127 62.191 62.100 -0.060 0.000 0.904 352 T CB 0.111 68.974 68.868 -0.009 0.000 1.110 352 T HN 0.520 nan 8.240 nan 0.000 0.541 353 G N 1.693 110.470 108.800 -0.037 0.000 2.961 353 G HA2 0.450 4.461 3.960 0.085 0.000 0.150 353 G HA3 0.450 4.461 3.960 0.085 0.000 0.150 353 G C 1.030 175.898 174.900 -0.053 0.000 1.864 353 G CA 0.454 45.532 45.100 -0.035 0.000 0.992 353 G HN 1.071 nan 8.290 nan 0.000 0.458 354 G N -2.415 106.370 108.800 -0.026 0.000 3.655 354 G HA2 0.282 4.294 3.960 0.085 0.000 0.219 354 G HA3 0.282 4.294 3.960 0.085 0.000 0.219 354 G C 0.739 175.668 174.900 0.049 0.000 0.933 354 G CA 0.461 45.550 45.100 -0.019 0.000 0.856 354 G HN 1.202 nan 8.290 nan 0.000 0.523 355 G N 1.189 110.010 108.800 0.036 0.000 2.699 355 G HA2 0.483 4.494 3.960 0.085 0.000 0.246 355 G HA3 0.483 4.494 3.960 0.085 0.000 0.246 355 G C 0.964 175.946 174.900 0.138 0.000 1.219 355 G CA 0.032 45.168 45.100 0.060 0.000 0.866 355 G HN 0.972 nan 8.290 nan 0.000 0.572 356 M N 0.809 120.471 119.600 0.104 0.000 2.987 356 M HA 0.189 4.720 4.480 0.085 0.000 0.331 356 M C -0.089 176.312 176.300 0.167 0.000 1.766 356 M CA -0.118 55.344 55.300 0.271 0.000 1.445 356 M CB -0.701 32.056 32.600 0.260 0.000 1.925 356 M HN 0.090 nan 8.290 nan 0.000 0.467 357 K N 2.244 122.714 120.400 0.117 0.000 2.505 357 K HA -0.020 4.351 4.320 0.085 0.000 0.272 357 K C 1.244 177.891 176.600 0.079 0.000 0.963 357 K CA 0.010 56.340 56.287 0.071 0.000 0.932 357 K CB 0.031 32.548 32.500 0.027 0.000 0.924 357 K HN 0.505 nan 8.250 nan 0.000 0.520 358 V N 1.629 121.593 119.914 0.084 0.000 2.242 358 V HA -0.388 3.783 4.120 0.085 0.000 0.257 358 V C 2.053 178.199 176.094 0.088 0.000 1.073 358 V CA 2.614 64.981 62.300 0.112 0.000 1.058 358 V CB -0.881 31.028 31.823 0.144 0.000 0.664 358 V HN 0.747 nan 8.190 nan 0.000 0.451 359 I N -0.893 119.715 120.570 0.063 0.000 2.091 359 I HA -0.332 3.889 4.170 0.085 0.000 0.239 359 I C 2.597 178.734 176.117 0.034 0.000 1.061 359 I CA 2.225 63.551 61.300 0.043 0.000 1.317 359 I CB -0.929 37.084 38.000 0.022 0.000 1.031 359 I HN 0.127 nan 8.210 nan 0.000 0.401 360 R N 0.641 121.166 120.500 0.041 0.000 2.140 360 R HA -0.195 4.196 4.340 0.085 0.000 0.250 360 R C 2.319 178.660 176.300 0.068 0.000 1.150 360 R CA 1.894 58.035 56.100 0.068 0.000 0.966 360 R CB -0.375 30.002 30.300 0.127 0.000 0.869 360 R HN 0.412 nan 8.270 nan 0.000 0.445 361 I N 0.233 120.845 120.570 0.070 0.000 2.110 361 I HA -0.228 3.993 4.170 0.085 0.000 0.236 361 I C 2.302 178.432 176.117 0.021 0.000 1.068 361 I CA 0.932 62.259 61.300 0.046 0.000 1.333 361 I CB -1.372 36.669 38.000 0.068 0.000 1.054 361 I HN 0.173 nan 8.210 nan 0.000 0.402 362 L N 0.901 122.147 121.223 0.039 0.000 2.011 362 L HA -0.271 4.120 4.340 0.085 0.000 0.225 362 L C 2.546 179.406 176.870 -0.017 0.000 1.084 362 L CA 2.019 56.874 54.840 0.026 0.000 0.791 362 L CB -0.940 41.145 42.059 0.042 0.000 0.898 362 L HN 0.151 nan 8.230 nan 0.000 0.440 363 L N -1.523 119.680 121.223 -0.034 0.000 1.971 363 L HA -0.309 4.082 4.340 0.085 0.000 0.215 363 L C 2.582 179.369 176.870 -0.137 0.000 1.072 363 L CA 1.859 56.644 54.840 -0.091 0.000 0.758 363 L CB -0.611 41.389 42.059 -0.098 0.000 0.889 363 L HN 0.345 nan 8.230 nan 0.000 0.433 364 L N -0.440 120.720 121.223 -0.106 0.000 2.034 364 L HA -0.320 4.071 4.340 0.085 0.000 0.217 364 L C 2.701 179.518 176.870 -0.088 0.000 1.077 364 L CA 2.264 57.037 54.840 -0.111 0.000 0.769 364 L CB -0.785 41.223 42.059 -0.086 0.000 0.890 364 L HN 0.563 nan 8.230 nan 0.000 0.435 365 T N -3.727 110.789 114.554 -0.062 0.000 3.035 365 T HA -0.067 4.334 4.350 0.085 0.000 0.268 365 T C 1.586 176.257 174.700 -0.048 0.000 1.109 365 T CA 0.494 62.570 62.100 -0.040 0.000 1.119 365 T CB -0.034 68.825 68.868 -0.016 0.000 0.900 365 T HN 0.081 nan 8.240 nan 0.000 0.503 366 L N 0.726 121.901 121.223 -0.079 0.000 2.168 366 L HA 0.250 4.641 4.340 0.085 0.000 0.203 366 L C 2.870 179.668 176.870 -0.120 0.000 1.078 366 L CA 1.360 56.148 54.840 -0.087 0.000 0.780 366 L CB -0.600 41.406 42.059 -0.089 0.000 0.939 366 L HN 0.235 nan 8.230 nan 0.000 0.451 367 Q N -0.844 118.823 119.800 -0.222 0.000 2.172 367 Q HA -0.062 4.329 4.340 0.085 0.000 0.200 367 Q C 2.198 178.160 176.000 -0.064 0.000 0.964 367 Q CA 1.191 56.761 55.803 -0.389 0.000 0.855 367 Q CB -0.447 27.655 28.738 -1.061 0.000 0.918 367 Q HN 0.565 nan 8.270 nan 0.000 0.444 368 G N 1.265 110.120 108.800 0.091 0.000 2.421 368 G HA2 -0.233 3.778 3.960 0.085 0.000 0.216 368 G HA3 -0.233 3.778 3.960 0.085 0.000 0.216 368 G C 1.518 176.460 174.900 0.070 0.000 1.171 368 G CA 0.882 46.107 45.100 0.208 0.000 0.775 368 G HN 0.408 nan 8.290 nan 0.000 0.543 369 A N 1.096 123.914 122.820 -0.003 0.000 1.852 369 A HA -0.184 4.187 4.320 0.085 0.000 0.217 369 A C 2.301 179.831 177.584 -0.090 0.000 1.215 369 A CA 2.405 54.413 52.037 -0.049 0.000 0.641 369 A CB -0.832 18.131 19.000 -0.062 0.000 0.838 369 A HN 0.372 nan 8.150 nan 0.000 0.450 370 R N -0.727 119.709 120.500 -0.107 0.000 2.228 370 R HA -0.247 4.144 4.340 0.085 0.000 0.264 370 R C 1.874 178.094 176.300 -0.132 0.000 1.179 370 R CA 2.049 58.045 56.100 -0.173 0.000 0.998 370 R CB -0.256 30.003 30.300 -0.068 0.000 0.885 370 R HN 0.585 nan 8.270 nan 0.000 0.466 371 E N 0.037 120.236 120.200 -0.002 0.000 2.107 371 E HA -0.141 4.260 4.350 0.085 0.000 0.191 371 E C 1.965 178.548 176.600 -0.029 0.000 0.982 371 E CA 0.820 57.241 56.400 0.034 0.000 0.809 371 E CB -0.061 29.705 29.700 0.111 0.000 0.756 371 E HN 0.271 nan 8.360 nan 0.000 0.459 372 L N 1.227 122.415 121.223 -0.058 0.000 2.044 372 L HA -0.132 4.259 4.340 0.085 0.000 0.205 372 L C 2.204 179.002 176.870 -0.120 0.000 1.075 372 L CA 1.598 56.393 54.840 -0.075 0.000 0.747 372 L CB -0.545 41.473 42.059 -0.068 0.000 0.903 372 L HN -0.019 nan 8.230 nan 0.000 0.435 373 K N -0.512 119.770 120.400 -0.197 0.000 2.113 373 K HA -0.165 4.206 4.320 0.085 0.000 0.208 373 K C 1.948 178.448 176.600 -0.166 0.000 1.047 373 K CA 1.266 57.389 56.287 -0.274 0.000 0.928 373 K CB -0.276 31.855 32.500 -0.615 0.000 0.716 373 K HN 0.205 nan 8.250 nan 0.000 0.446 374 R N 0.549 120.971 120.500 -0.130 0.000 2.369 374 R HA 0.003 4.394 4.340 0.085 0.000 0.200 374 R C 1.345 177.660 176.300 0.025 0.000 1.046 374 R CA 0.209 56.331 56.100 0.037 0.000 1.057 374 R CB 0.063 30.397 30.300 0.058 0.000 0.888 374 R HN 0.139 nan 8.270 nan 0.000 0.474 375 L N -0.875 120.330 121.223 -0.029 0.000 2.425 375 L HA 0.031 4.422 4.340 0.085 0.000 0.215 375 L C 1.849 178.687 176.870 -0.053 0.000 1.065 375 L CA 0.981 55.803 54.840 -0.031 0.000 0.842 375 L CB 0.094 42.127 42.059 -0.043 0.000 1.033 375 L HN -0.028 nan 8.230 nan 0.000 0.474 376 V N -1.490 118.348 119.914 -0.125 0.000 2.492 376 V HA -0.017 4.154 4.120 0.085 0.000 0.241 376 V C 0.762 176.738 176.094 -0.197 0.000 1.041 376 V CA 0.592 62.751 62.300 -0.236 0.000 1.057 376 V CB -0.305 31.239 31.823 -0.466 0.000 0.711 376 V HN 0.328 nan 8.190 nan 0.000 0.468 377 H N 0.674 119.813 119.070 0.114 0.000 2.486 377 H HA 0.320 4.927 4.556 0.085 0.000 0.239 377 H C -2.094 173.328 175.328 0.156 0.000 1.480 377 H CA -2.590 53.541 56.048 0.138 0.000 1.324 377 H CB 0.342 30.226 29.762 0.203 0.000 1.486 377 H HN 0.325 nan 8.280 nan 0.000 0.544 378 P HA 0.021 nan 4.420 nan 0.000 0.239 378 P C 1.190 178.562 177.300 0.119 0.000 1.184 378 P CA 0.728 63.910 63.100 0.136 0.000 0.760 378 P CB 0.462 32.212 31.700 0.083 0.000 0.884 379 R N -0.036 120.534 120.500 0.117 0.000 2.056 379 R HA 0.324 4.715 4.340 0.085 0.000 0.215 379 R C 1.086 177.393 176.300 0.013 0.000 1.205 379 R CA 0.276 56.409 56.100 0.054 0.000 1.020 379 R CB -1.044 29.276 30.300 0.032 0.000 0.911 379 R HN 0.002 nan 8.270 nan 0.000 0.451 380 A N 1.417 124.221 122.820 -0.027 0.000 2.613 380 A HA 0.055 4.426 4.320 0.085 0.000 0.230 380 A C 0.013 177.418 177.584 -0.298 0.000 1.051 380 A CA 0.267 52.166 52.037 -0.229 0.000 0.754 380 A CB 0.199 18.961 19.000 -0.396 0.000 0.979 380 A HN 0.123 nan 8.150 nan 0.000 0.510 381 V N 4.090 123.792 119.914 -0.352 0.000 2.275 381 V HA 0.287 4.458 4.120 0.085 0.000 0.272 381 V C -0.849 175.092 176.094 -0.255 0.000 1.028 381 V CA -0.158 62.022 62.300 -0.201 0.000 0.810 381 V CB -0.377 31.390 31.823 -0.093 0.000 1.043 381 V HN 0.697 nan 8.190 nan 0.000 0.453 382 Y N 2.244 122.560 120.300 0.027 0.000 2.335 382 Y HA 0.634 5.235 4.550 0.085 0.000 0.323 382 Y C 0.945 176.852 175.900 0.011 0.000 1.224 382 Y CA -0.797 57.315 58.100 0.019 0.000 1.241 382 Y CB 1.540 40.017 38.460 0.029 0.000 1.235 382 Y HN 0.571 nan 8.280 nan 0.000 0.492 383 T N 0.426 115.072 114.554 0.152 0.000 3.050 383 T HA 0.430 4.831 4.350 0.085 0.000 0.310 383 T C -0.564 174.165 174.700 0.047 0.000 0.978 383 T CA -0.892 61.254 62.100 0.077 0.000 1.013 383 T CB -0.126 68.764 68.868 0.038 0.000 1.000 383 T HN 0.666 nan 8.240 nan 0.000 0.447 384 I N 0.726 121.306 120.570 0.017 0.000 2.828 384 I HA 0.300 4.521 4.170 0.085 0.000 0.292 384 I C -0.325 175.779 176.117 -0.022 0.000 1.206 384 I CA 0.035 61.323 61.300 -0.020 0.000 1.420 384 I CB -0.033 37.920 38.000 -0.079 0.000 1.368 384 I HN 0.501 nan 8.210 nan 0.000 0.556 385 K N 4.850 125.241 120.400 -0.015 0.000 2.422 385 K HA 0.492 4.863 4.320 0.085 0.000 0.251 385 K C 0.424 177.013 176.600 -0.018 0.000 0.933 385 K CA -0.857 55.421 56.287 -0.015 0.000 0.798 385 K CB 2.780 35.276 32.500 -0.006 0.000 1.238 385 K HN 0.540 nan 8.250 nan 0.000 0.428 386 V N -1.518 118.386 119.914 -0.017 0.000 2.599 386 V HA 0.219 4.390 4.120 0.085 0.000 0.237 386 V C 1.246 177.334 176.094 -0.011 0.000 1.081 386 V CA 1.321 63.614 62.300 -0.012 0.000 1.107 386 V CB -0.306 31.513 31.823 -0.006 0.000 0.808 386 V HN 0.886 nan 8.190 nan 0.000 0.486 387 G N -0.251 108.542 108.800 -0.011 0.000 2.834 387 G HA2 0.465 4.476 3.960 0.085 0.000 0.198 387 G HA3 0.465 4.476 3.960 0.085 0.000 0.198 387 G C 0.846 175.735 174.900 -0.019 0.000 1.070 387 G CA 0.628 45.717 45.100 -0.018 0.000 0.771 387 G HN 1.000 nan 8.290 nan 0.000 0.601 388 G N 0.178 108.969 108.800 -0.016 0.000 4.184 388 G HA2 0.479 4.490 3.960 0.085 0.000 0.282 388 G HA3 0.479 4.490 3.960 0.085 0.000 0.282 388 G C -0.140 174.752 174.900 -0.013 0.000 1.223 388 G CA 0.661 45.751 45.100 -0.015 0.000 0.773 388 G HN 1.294 nan 8.290 nan 0.000 0.519 389 S N -0.970 114.722 115.700 -0.013 0.000 3.392 389 S HA 0.178 4.699 4.470 0.085 0.000 0.693 389 S C 0.809 175.399 174.600 -0.016 0.000 0.620 389 S CA 0.536 58.729 58.200 -0.012 0.000 1.452 389 S CB -1.197 61.997 63.200 -0.009 0.000 0.988 389 S HN 2.217 nan 8.310 nan 0.000 0.932 390 A N 5.146 127.952 122.820 -0.023 0.000 2.251 390 A HA 0.630 5.001 4.320 0.085 0.000 0.277 390 A C 1.089 178.659 177.584 -0.023 0.000 1.313 390 A CA 0.132 52.151 52.037 -0.030 0.000 0.813 390 A CB 0.116 19.085 19.000 -0.051 0.000 1.210 390 A HN 1.559 nan 8.150 nan 0.000 0.509 391 L N -2.017 119.191 121.223 -0.025 0.000 2.825 391 L HA 0.294 4.686 4.340 0.085 0.000 0.236 391 L C -2.171 174.695 176.870 -0.007 0.000 1.301 391 L CA -1.387 53.446 54.840 -0.012 0.000 0.977 391 L CB 0.495 42.549 42.059 -0.008 0.000 1.300 391 L HN 0.344 nan 8.230 nan 0.000 0.486 392 P HA -0.253 nan 4.420 nan 0.000 0.225 392 P C 1.197 178.521 177.300 0.041 0.000 1.138 392 P CA 1.393 64.498 63.100 0.007 0.000 0.784 392 P CB 0.100 31.814 31.700 0.023 0.000 0.753 393 Q N -2.313 117.508 119.800 0.036 0.000 2.402 393 Q HA 0.036 4.427 4.340 0.085 0.000 0.231 393 Q C 1.773 177.804 176.000 0.052 0.000 0.888 393 Q CA 0.154 55.988 55.803 0.052 0.000 0.938 393 Q CB 0.346 29.107 28.738 0.039 0.000 1.086 393 Q HN 0.019 nan 8.270 nan 0.000 0.543 394 R N -0.496 120.022 120.500 0.031 0.000 2.207 394 R HA 0.170 4.561 4.340 0.085 0.000 0.184 394 R C 1.983 178.295 176.300 0.021 0.000 1.280 394 R CA 0.649 56.765 56.100 0.027 0.000 1.166 394 R CB -0.616 29.693 30.300 0.014 0.000 1.116 394 R HN 0.098 nan 8.270 nan 0.000 0.494 395 V N 1.469 121.382 119.914 -0.002 0.000 2.548 395 V HA -0.120 4.051 4.120 0.085 0.000 0.249 395 V C 2.393 178.465 176.094 -0.037 0.000 1.055 395 V CA 1.516 63.808 62.300 -0.013 0.000 1.065 395 V CB -0.141 31.666 31.823 -0.026 0.000 0.681 395 V HN 0.145 nan 8.190 nan 0.000 0.462 396 V N 0.169 120.040 119.914 -0.072 0.000 2.392 396 V HA -0.250 3.921 4.120 0.085 0.000 0.249 396 V C 2.211 178.228 176.094 -0.128 0.000 1.059 396 V CA 2.765 64.946 62.300 -0.198 0.000 1.051 396 V CB -0.504 31.200 31.823 -0.200 0.000 0.658 396 V HN 0.638 nan 8.190 nan 0.000 0.455 397 D N 0.181 120.632 120.400 0.085 0.000 2.117 397 D HA -0.067 4.624 4.640 0.085 0.000 0.198 397 D C 2.234 178.697 176.300 0.271 0.000 0.982 397 D CA 1.575 55.733 54.000 0.262 0.000 0.828 397 D CB -0.362 40.555 40.800 0.195 0.000 0.967 397 D HN 0.556 nan 8.370 nan 0.000 0.464 398 A N 0.836 123.752 122.820 0.159 0.000 1.865 398 A HA -0.159 4.212 4.320 0.085 0.000 0.217 398 A C 2.501 180.265 177.584 0.299 0.000 1.191 398 A CA 1.513 53.661 52.037 0.185 0.000 0.623 398 A CB -0.921 18.131 19.000 0.088 0.000 0.826 398 A HN 0.112 nan 8.150 nan 0.000 0.444 399 V N -0.607 119.414 119.914 0.179 0.000 2.235 399 V HA -0.266 3.905 4.120 0.085 0.000 0.244 399 V C 2.062 178.423 176.094 0.445 0.000 1.036 399 V CA 2.123 64.553 62.300 0.218 0.000 1.001 399 V CB -1.425 30.398 31.823 -0.001 0.000 0.643 399 V HN 1.024 nan 8.190 nan 0.000 0.463 400 W N 1.650 123.083 121.300 0.221 0.000 3.310 400 W HA 0.537 5.249 4.660 0.085 0.000 0.395 400 W C 1.113 177.793 176.519 0.269 0.000 1.059 400 W CA -0.733 56.754 57.345 0.237 0.000 1.845 400 W CB -1.536 27.985 29.460 0.101 0.000 0.908 400 W HN 0.189 nan 8.180 nan 0.000 0.798 401 G N -0.528 108.641 108.800 0.614 0.000 2.739 401 G HA2 -0.064 3.947 3.960 0.085 0.000 0.200 401 G HA3 -0.064 3.947 3.960 0.085 0.000 0.200 401 G C 1.040 176.267 174.900 0.547 0.000 1.069 401 G CA 0.113 45.509 45.100 0.494 0.000 0.768 401 G HN 0.235 nan 8.290 nan 0.000 0.565 402 F N 1.339 121.573 119.950 0.473 0.000 2.134 402 F HA 0.083 4.661 4.527 0.085 0.000 0.299 402 F C 1.999 177.918 175.800 0.199 0.000 1.097 402 F CA 1.136 59.279 58.000 0.238 0.000 1.264 402 F CB -0.251 38.926 39.000 0.296 0.000 1.001 402 F HN 0.114 nan 8.300 nan 0.000 0.479 403 F N 1.516 121.534 119.950 0.114 0.000 2.026 403 F HA -0.208 4.370 4.527 0.085 0.000 0.296 403 F C 2.740 178.509 175.800 -0.051 0.000 1.133 403 F CA 2.275 60.260 58.000 -0.024 0.000 1.188 403 F CB -1.184 37.893 39.000 0.129 0.000 0.968 403 F HN 0.084 nan 8.300 nan 0.000 0.476 404 S N 1.454 117.156 115.700 0.003 0.000 2.380 404 S HA -0.383 4.138 4.470 0.085 0.000 0.229 404 S C 2.311 176.788 174.600 -0.206 0.000 1.050 404 S CA 1.711 59.836 58.200 -0.125 0.000 1.100 404 S CB -1.806 61.436 63.200 0.071 0.000 0.984 404 S HN 0.639 nan 8.310 nan 0.000 0.434 405 A N 1.012 123.747 122.820 -0.142 0.000 1.873 405 A HA -0.153 4.219 4.320 0.085 0.000 0.218 405 A C 2.050 179.462 177.584 -0.286 0.000 1.193 405 A CA 1.984 53.902 52.037 -0.198 0.000 0.629 405 A CB -1.462 17.376 19.000 -0.271 0.000 0.826 405 A HN 0.570 nan 8.150 nan 0.000 0.447 406 Y N 0.295 120.254 120.300 -0.568 0.000 2.139 406 Y HA -0.259 4.342 4.550 0.085 0.000 0.282 406 Y C 2.774 178.470 175.900 -0.340 0.000 1.179 406 Y CA 1.618 59.410 58.100 -0.513 0.000 1.161 406 Y CB -0.483 37.572 38.460 -0.675 0.000 0.970 406 Y HN 0.337 nan 8.280 nan 0.000 0.511 407 A N -0.563 122.112 122.820 -0.241 0.000 1.929 407 A HA -0.103 4.268 4.320 0.085 0.000 0.216 407 A C 2.258 179.776 177.584 -0.110 0.000 1.176 407 A CA 1.278 53.175 52.037 -0.234 0.000 0.628 407 A CB -0.894 17.825 19.000 -0.469 0.000 0.816 407 A HN 0.499 nan 8.150 nan 0.000 0.444 408 L N 0.317 121.457 121.223 -0.139 0.000 2.017 408 L HA -0.120 4.271 4.340 0.085 0.000 0.208 408 L C 2.453 179.259 176.870 -0.108 0.000 1.073 408 L CA 1.943 56.727 54.840 -0.094 0.000 0.745 408 L CB -0.833 41.178 42.059 -0.078 0.000 0.894 408 L HN 0.272 nan 8.230 nan 0.000 0.432 409 V N 0.028 119.845 119.914 -0.162 0.000 2.231 409 V HA -0.382 3.790 4.120 0.085 0.000 0.248 409 V C 2.380 178.341 176.094 -0.222 0.000 1.054 409 V CA 2.385 64.520 62.300 -0.275 0.000 1.015 409 V CB -0.963 30.636 31.823 -0.374 0.000 0.638 409 V HN 0.413 nan 8.190 nan 0.000 0.444 410 F N 0.404 120.204 119.950 -0.248 0.000 2.087 410 F HA -0.258 4.320 4.527 0.085 0.000 0.299 410 F C 2.273 177.978 175.800 -0.158 0.000 1.100 410 F CA 2.159 60.052 58.000 -0.178 0.000 1.226 410 F CB -0.258 38.698 39.000 -0.074 0.000 0.983 410 F HN -0.056 nan 8.300 nan 0.000 0.479 411 V N -0.576 119.403 119.914 0.108 0.000 2.358 411 V HA -0.284 3.888 4.120 0.085 0.000 0.246 411 V C 2.253 178.299 176.094 -0.079 0.000 1.047 411 V CA 1.641 63.969 62.300 0.047 0.000 1.035 411 V CB -0.493 31.361 31.823 0.051 0.000 0.658 411 V HN 0.281 nan 8.190 nan 0.000 0.452 412 V N -1.468 118.371 119.914 -0.124 0.000 2.358 412 V HA -0.265 3.906 4.120 0.085 0.000 0.246 412 V C 2.495 178.472 176.094 -0.195 0.000 1.047 412 V CA 1.997 64.210 62.300 -0.144 0.000 1.035 412 V CB -0.824 30.905 31.823 -0.157 0.000 0.658 412 V HN 0.618 nan 8.190 nan 0.000 0.452 413 C N -0.515 118.612 119.300 -0.288 0.000 2.429 413 C HA -0.181 4.330 4.460 0.085 0.000 0.277 413 C C 2.813 177.630 174.990 -0.290 0.000 1.262 413 C CA 1.613 60.434 59.018 -0.327 0.000 1.733 413 C CB -0.780 26.693 27.740 -0.445 0.000 2.010 413 C HN 0.593 nan 8.230 nan 0.000 0.483 414 M N -0.606 118.794 119.600 -0.333 0.000 2.254 414 M HA -0.067 4.464 4.480 0.085 0.000 0.265 414 M C 1.843 178.072 176.300 -0.119 0.000 1.066 414 M CA 1.360 56.509 55.300 -0.253 0.000 1.123 414 M CB -0.145 32.306 32.600 -0.249 0.000 1.388 414 M HN 0.273 nan 8.290 nan 0.000 0.425 415 L N -0.163 120.999 121.223 -0.102 0.000 2.313 415 L HA 0.121 4.512 4.340 0.085 0.000 0.214 415 L C 2.227 179.061 176.870 -0.059 0.000 1.119 415 L CA 1.512 56.318 54.840 -0.057 0.000 0.809 415 L CB -1.128 40.904 42.059 -0.045 0.000 0.933 415 L HN 0.316 nan 8.230 nan 0.000 0.449 416 G N -1.485 107.265 108.800 -0.084 0.000 2.492 416 G HA2 -0.077 3.934 3.960 0.085 0.000 0.214 416 G HA3 -0.077 3.934 3.960 0.085 0.000 0.214 416 G C 1.560 176.428 174.900 -0.054 0.000 1.147 416 G CA 0.117 45.176 45.100 -0.069 0.000 0.809 416 G HN 0.312 nan 8.290 nan 0.000 0.533 417 L N 0.193 121.373 121.223 -0.071 0.000 2.201 417 L HA 0.089 4.480 4.340 0.085 0.000 0.212 417 L C 2.641 179.494 176.870 -0.029 0.000 1.105 417 L CA 0.696 55.508 54.840 -0.048 0.000 0.775 417 L CB -0.175 41.843 42.059 -0.068 0.000 0.913 417 L HN 0.218 nan 8.230 nan 0.000 0.440 418 I N -0.804 119.748 120.570 -0.031 0.000 2.716 418 I HA -0.150 4.071 4.170 0.085 0.000 0.259 418 I C 2.603 178.713 176.117 -0.011 0.000 1.172 418 I CA 0.694 61.985 61.300 -0.015 0.000 1.478 418 I CB -0.089 37.906 38.000 -0.008 0.000 1.104 418 I HN 0.157 nan 8.210 nan 0.000 0.439 419 A N -0.100 122.711 122.820 -0.015 0.000 1.874 419 A HA -0.186 4.185 4.320 0.085 0.000 0.214 419 A C 2.336 179.917 177.584 -0.006 0.000 1.189 419 A CA 2.007 54.038 52.037 -0.011 0.000 0.615 419 A CB -1.033 17.958 19.000 -0.014 0.000 0.830 419 A HN 0.294 nan 8.150 nan 0.000 0.443 420 T N -1.842 112.708 114.554 -0.006 0.000 2.802 420 T HA 0.064 4.465 4.350 0.085 0.000 0.269 420 T C 1.268 175.972 174.700 0.007 0.000 1.062 420 T CA 2.572 64.675 62.100 0.005 0.000 1.133 420 T CB -0.290 68.584 68.868 0.010 0.000 0.852 420 T HN 1.196 nan 8.240 nan 0.000 0.485 421 G N 0.046 108.847 108.800 0.001 0.000 3.714 421 G HA2 -0.047 3.964 3.960 0.085 0.000 0.146 421 G HA3 -0.047 3.964 3.960 0.085 0.000 0.146 421 G C 0.274 175.172 174.900 -0.003 0.000 2.286 421 G CA -0.179 44.922 45.100 0.001 0.000 1.218 421 G HN 0.652 nan 8.290 nan 0.000 0.362 422 M N 2.104 121.701 119.600 -0.004 0.000 2.207 422 M HA 0.405 4.936 4.480 0.085 0.000 0.296 422 M C 0.502 176.797 176.300 -0.008 0.000 1.012 422 M CA 1.049 56.344 55.300 -0.009 0.000 1.088 422 M CB -0.497 32.095 32.600 -0.013 0.000 1.407 422 M HN 0.576 nan 8.290 nan 0.000 0.425 423 D N -0.428 119.966 120.400 -0.010 0.000 2.414 423 D HA 0.118 4.809 4.640 0.085 0.000 0.251 423 D C 0.677 176.980 176.300 0.004 0.000 1.252 423 D CA -0.288 53.709 54.000 -0.005 0.000 0.999 423 D CB 0.745 41.540 40.800 -0.009 0.000 1.093 423 D HN 0.826 nan 8.370 nan 0.000 0.515 424 E N -0.505 119.700 120.200 0.008 0.000 1.998 424 E HA -0.194 4.207 4.350 0.085 0.000 0.196 424 E C 2.004 178.633 176.600 0.049 0.000 1.003 424 E CA 0.700 57.115 56.400 0.025 0.000 0.829 424 E CB -0.254 29.455 29.700 0.016 0.000 0.777 424 E HN 0.582 nan 8.360 nan 0.000 0.460 425 L N 0.705 121.938 121.223 0.017 0.000 2.187 425 L HA -0.181 4.210 4.340 0.085 0.000 0.213 425 L C 2.215 179.135 176.870 0.083 0.000 1.100 425 L CA 1.303 56.150 54.840 0.012 0.000 0.765 425 L CB -0.099 41.925 42.059 -0.059 0.000 0.904 425 L HN 0.117 nan 8.230 nan 0.000 0.437 426 S N -0.198 115.526 115.700 0.040 0.000 2.345 426 S HA -0.069 4.452 4.470 0.085 0.000 0.219 426 S C 2.150 176.768 174.600 0.031 0.000 1.031 426 S CA 0.947 59.155 58.200 0.014 0.000 0.984 426 S CB -0.413 62.767 63.200 -0.033 0.000 0.874 426 S HN 0.673 nan 8.310 nan 0.000 0.451 427 A N 1.280 124.115 122.820 0.025 0.000 1.940 427 A HA -0.231 4.140 4.320 0.085 0.000 0.221 427 A C 1.889 179.464 177.584 -0.015 0.000 1.190 427 A CA 2.027 54.058 52.037 -0.010 0.000 0.647 427 A CB -1.104 17.886 19.000 -0.016 0.000 0.821 427 A HN 0.527 nan 8.150 nan 0.000 0.457 428 F N 0.864 120.781 119.950 -0.056 0.000 2.069 428 F HA -0.193 4.385 4.527 0.085 0.000 0.298 428 F C 2.631 178.452 175.800 0.034 0.000 1.113 428 F CA 2.225 60.234 58.000 0.016 0.000 1.214 428 F CB -0.295 38.748 39.000 0.072 0.000 0.978 428 F HN 0.194 nan 8.300 nan 0.000 0.474 429 S N -0.025 115.842 115.700 0.279 0.000 2.428 429 S HA -0.027 4.494 4.470 0.085 0.000 0.230 429 S C 2.134 176.740 174.600 0.010 0.000 1.014 429 S CA 0.690 58.973 58.200 0.139 0.000 0.957 429 S CB -0.543 62.722 63.200 0.108 0.000 0.784 429 S HN 0.537 nan 8.310 nan 0.000 0.499 430 A N 1.521 124.336 122.820 -0.009 0.000 1.841 430 A HA -0.056 4.315 4.320 0.085 0.000 0.214 430 A C 2.426 180.006 177.584 -0.005 0.000 1.195 430 A CA 1.738 53.820 52.037 0.075 0.000 0.611 430 A CB -1.204 17.847 19.000 0.086 0.000 0.835 430 A HN 0.522 nan 8.150 nan 0.000 0.443 431 V N -2.044 117.744 119.914 -0.210 0.000 2.332 431 V HA -0.118 4.053 4.120 0.085 0.000 0.248 431 V C 2.527 178.464 176.094 -0.262 0.000 1.055 431 V CA 2.064 64.132 62.300 -0.387 0.000 1.038 431 V CB -1.588 29.729 31.823 -0.844 0.000 0.651 431 V HN 0.544 nan 8.190 nan 0.000 0.450 432 A N 0.394 123.128 122.820 -0.143 0.000 2.067 432 A HA 0.222 4.593 4.320 0.085 0.000 0.219 432 A C 2.377 179.876 177.584 -0.140 0.000 1.158 432 A CA 1.951 53.989 52.037 0.001 0.000 0.661 432 A CB -0.783 18.185 19.000 -0.054 0.000 0.801 432 A HN 0.994 nan 8.150 nan 0.000 0.452 433 A N -1.426 121.359 122.820 -0.058 0.000 2.021 433 A HA 0.112 4.483 4.320 0.085 0.000 0.216 433 A C 2.183 179.725 177.584 -0.071 0.000 1.163 433 A CA 1.821 53.850 52.037 -0.012 0.000 0.676 433 A CB -0.522 18.591 19.000 0.190 0.000 0.818 433 A HN 0.394 nan 8.150 nan 0.000 0.453 434 T N -0.258 114.240 114.554 -0.095 0.000 2.837 434 T HA 0.074 4.475 4.350 0.085 0.000 0.248 434 T C 1.846 176.437 174.700 -0.182 0.000 1.033 434 T CA 0.855 62.855 62.100 -0.167 0.000 1.150 434 T CB -0.390 68.375 68.868 -0.172 0.000 0.865 434 T HN 0.255 nan 8.240 nan 0.000 0.425 435 L N 1.389 122.510 121.223 -0.170 0.000 2.127 435 L HA -0.087 4.304 4.340 0.085 0.000 0.211 435 L C 1.513 178.324 176.870 -0.099 0.000 1.089 435 L CA 1.423 56.172 54.840 -0.152 0.000 0.757 435 L CB -0.388 41.605 42.059 -0.110 0.000 0.899 435 L HN 0.378 nan 8.230 nan 0.000 0.434 436 N N -0.069 118.542 118.700 -0.148 0.000 2.322 436 N HA 0.006 4.797 4.740 0.085 0.000 0.194 436 N C -0.418 175.004 175.510 -0.146 0.000 1.126 436 N CA -0.070 52.893 53.050 -0.145 0.000 0.845 436 N CB 0.126 38.411 38.487 -0.337 0.000 0.976 436 N HN 0.311 nan 8.380 nan 0.000 0.475 437 N N 0.930 119.530 118.700 -0.166 0.000 2.688 437 N HA -0.193 4.598 4.740 0.085 0.000 0.258 437 N C 0.273 175.669 175.510 -0.189 0.000 1.016 437 N CA 0.024 52.957 53.050 -0.195 0.000 0.747 437 N CB -0.675 37.689 38.487 -0.206 0.000 0.895 437 N HN 0.379 nan 8.380 nan 0.000 0.543 438 L N -1.037 120.083 121.223 -0.171 0.000 2.296 438 L HA 0.281 4.673 4.340 0.085 0.000 0.193 438 L C 1.869 178.660 176.870 -0.133 0.000 1.123 438 L CA 1.564 56.317 54.840 -0.146 0.000 0.805 438 L CB -0.068 41.918 42.059 -0.122 0.000 1.004 438 L HN 0.574 nan 8.230 nan 0.000 0.478 439 G N -1.372 107.381 108.800 -0.079 0.000 3.131 439 G HA2 -0.142 3.869 3.960 0.085 0.000 0.198 439 G HA3 -0.142 3.869 3.960 0.085 0.000 0.198 439 G C -2.441 172.556 174.900 0.162 0.000 1.435 439 G CA -0.072 45.010 45.100 -0.031 0.000 1.016 439 G HN 0.286 nan 8.290 nan 0.000 0.499 440 P HA 0.514 nan 4.420 nan 0.000 0.284 440 P C 1.050 178.421 177.300 0.119 0.000 1.287 440 P CA 0.555 63.757 63.100 0.169 0.000 0.824 440 P CB 0.905 32.677 31.700 0.119 0.000 1.180 441 G N -0.164 108.643 108.800 0.011 0.000 2.551 441 G HA2 0.013 4.024 3.960 0.085 0.000 0.214 441 G HA3 0.013 4.024 3.960 0.085 0.000 0.214 441 G C 0.337 175.219 174.900 -0.030 0.000 1.250 441 G CA 0.620 45.681 45.100 -0.066 0.000 0.825 441 G HN 0.524 nan 8.290 nan 0.000 0.549 442 L N -1.097 120.098 121.223 -0.047 0.000 3.014 442 L HA -0.145 4.247 4.340 0.085 0.000 0.435 442 L C 1.976 178.757 176.870 -0.149 0.000 0.715 442 L CA 1.298 56.068 54.840 -0.118 0.000 2.878 442 L CB -1.910 40.091 42.059 -0.097 0.000 0.884 442 L HN 0.543 nan 8.230 nan 0.000 0.685 443 G N 0.076 108.842 108.800 -0.058 0.000 2.355 443 G HA2 -0.068 3.943 3.960 0.085 0.000 0.175 443 G HA3 -0.068 3.943 3.960 0.085 0.000 0.175 443 G C 0.335 175.183 174.900 -0.087 0.000 1.624 443 G CA 0.515 45.587 45.100 -0.047 0.000 1.021 443 G HN 0.384 nan 8.290 nan 0.000 0.465 444 E N 0.186 120.350 120.200 -0.061 0.000 1.802 444 E HA 0.344 4.745 4.350 0.085 0.000 0.265 444 E C 0.203 176.782 176.600 -0.035 0.000 1.168 444 E CA -0.375 55.995 56.400 -0.050 0.000 1.033 444 E CB -0.214 29.462 29.700 -0.040 0.000 1.095 444 E HN 0.209 nan 8.360 nan 0.000 0.436 445 V N 3.099 122.992 119.914 -0.035 0.000 5.858 445 V HA -0.292 3.879 4.120 0.085 0.000 0.130 445 V C 0.527 176.618 176.094 -0.004 0.000 0.742 445 V CA 1.553 63.851 62.300 -0.002 0.000 0.488 445 V CB -1.345 30.499 31.823 0.036 0.000 0.334 445 V HN 0.675 nan 8.190 nan 0.000 0.361 446 A N 4.594 127.400 122.820 -0.023 0.000 2.676 446 A HA 0.623 4.994 4.320 0.085 0.000 0.258 446 A C 0.368 177.909 177.584 -0.073 0.000 0.898 446 A CA -0.087 51.928 52.037 -0.036 0.000 1.087 446 A CB 0.334 19.308 19.000 -0.044 0.000 1.214 446 A HN 1.160 nan 8.150 nan 0.000 0.474 447 L N -2.452 118.743 121.223 -0.047 0.000 2.968 447 L HA 0.582 4.973 4.340 0.085 0.000 0.235 447 L C -0.024 176.735 176.870 -0.185 0.000 1.323 447 L CA -0.130 54.638 54.840 -0.120 0.000 1.159 447 L CB -0.966 41.075 42.059 -0.029 0.000 1.523 447 L HN 0.320 nan 8.230 nan 0.000 0.468 448 H N -0.524 118.385 119.070 -0.268 0.000 2.970 448 H HA 0.495 5.102 4.556 0.085 0.000 0.315 448 H C -0.058 175.118 175.328 -0.253 0.000 0.992 448 H CA -0.568 55.355 56.048 -0.209 0.000 1.363 448 H CB 0.854 30.579 29.762 -0.063 0.000 1.532 448 H HN 0.119 nan 8.280 nan 0.000 0.514 449 F N 1.983 121.850 119.950 -0.139 0.000 1.983 449 F HA 0.148 4.726 4.527 0.085 0.000 0.193 449 F C 2.186 177.914 175.800 -0.121 0.000 0.793 449 F CA 1.194 59.091 58.000 -0.170 0.000 1.147 449 F CB -0.652 38.161 39.000 -0.313 0.000 2.140 449 F HN 0.743 nan 8.300 nan 0.000 0.605 450 G N 0.455 109.235 108.800 -0.033 0.000 2.620 450 G HA2 -0.429 3.582 3.960 0.085 0.000 0.315 450 G HA3 -0.429 3.582 3.960 0.085 0.000 0.315 450 G C 0.105 174.960 174.900 -0.073 0.000 1.179 450 G CA 0.517 45.560 45.100 -0.095 0.000 0.971 450 G HN 0.930 nan 8.290 nan 0.000 0.544 451 D N 1.792 122.181 120.400 -0.019 0.000 2.891 451 D HA 0.286 4.977 4.640 0.085 0.000 0.223 451 D C 0.936 177.220 176.300 -0.028 0.000 1.109 451 D CA 0.637 54.622 54.000 -0.024 0.000 1.196 451 D CB -0.860 39.931 40.800 -0.014 0.000 1.188 451 D HN 1.255 nan 8.370 nan 0.000 0.442 452 V N -2.582 117.307 119.914 -0.043 0.000 2.850 452 V HA 0.434 4.605 4.120 0.085 0.000 0.315 452 V C 0.372 176.450 176.094 -0.027 0.000 1.064 452 V CA -1.592 60.689 62.300 -0.032 0.000 0.979 452 V CB 1.298 33.110 31.823 -0.018 0.000 1.039 452 V HN 0.193 nan 8.190 nan 0.000 0.452 453 N N 2.123 120.817 118.700 -0.011 0.000 2.138 453 N HA -0.127 4.664 4.740 0.085 0.000 0.271 453 N C 0.511 176.023 175.510 0.003 0.000 1.272 453 N CA 1.114 54.165 53.050 0.002 0.000 0.819 453 N CB 0.490 38.983 38.487 0.010 0.000 1.052 453 N HN 0.889 nan 8.380 nan 0.000 0.479 454 D N 2.794 123.202 120.400 0.014 0.000 2.097 454 D HA -0.074 4.617 4.640 0.085 0.000 0.197 454 D C 1.291 177.635 176.300 0.073 0.000 0.984 454 D CA 1.386 55.394 54.000 0.012 0.000 0.826 454 D CB 0.112 40.935 40.800 0.039 0.000 0.973 454 D HN 0.619 nan 8.370 nan 0.000 0.460 455 K N 0.334 120.814 120.400 0.134 0.000 2.089 455 K HA -0.160 4.211 4.320 0.085 0.000 0.210 455 K C 2.036 178.736 176.600 0.166 0.000 1.048 455 K CA 1.404 57.812 56.287 0.203 0.000 0.926 455 K CB -0.214 32.355 32.500 0.116 0.000 0.714 455 K HN 0.070 nan 8.250 nan 0.000 0.448 456 A N 1.338 124.209 122.820 0.084 0.000 2.024 456 A HA -0.233 4.138 4.320 0.085 0.000 0.220 456 A C 1.804 179.435 177.584 0.078 0.000 1.164 456 A CA 1.634 53.710 52.037 0.064 0.000 0.643 456 A CB -0.332 18.691 19.000 0.038 0.000 0.806 456 A HN 0.233 nan 8.150 nan 0.000 0.451 457 K N -1.671 118.746 120.400 0.028 0.000 2.148 457 K HA -0.174 4.197 4.320 0.085 0.000 0.204 457 K C 1.715 178.301 176.600 -0.022 0.000 1.050 457 K CA 1.456 57.750 56.287 0.012 0.000 0.942 457 K CB -0.200 32.184 32.500 -0.194 0.000 0.724 457 K HN 0.773 nan 8.250 nan 0.000 0.446 458 W N 0.202 121.531 121.300 0.047 0.000 2.444 458 W HA -0.134 4.578 4.660 0.086 0.000 0.308 458 W C 2.024 178.492 176.519 -0.085 0.000 1.183 458 W CA 0.070 57.388 57.345 -0.045 0.000 1.340 458 W CB -0.553 28.862 29.460 -0.074 0.000 1.138 458 W HN -0.246 nan 8.180 nan 0.000 0.510 459 V N 1.374 121.389 119.914 0.167 0.000 2.317 459 V HA -0.372 3.799 4.120 0.085 0.000 0.251 459 V C 2.065 178.138 176.094 -0.035 0.000 1.065 459 V CA 1.737 64.052 62.300 0.026 0.000 1.049 459 V CB -1.144 30.676 31.823 -0.005 0.000 0.651 459 V HN 0.243 nan 8.190 nan 0.000 0.450 460 L N -0.921 120.303 121.223 0.003 0.000 2.027 460 L HA -0.167 4.224 4.340 0.085 0.000 0.206 460 L C 2.408 179.156 176.870 -0.202 0.000 1.074 460 L CA 1.777 56.589 54.840 -0.047 0.000 0.745 460 L CB -0.546 41.604 42.059 0.152 0.000 0.898 460 L HN 0.280 nan 8.230 nan 0.000 0.433 461 I N -0.492 119.932 120.570 -0.244 0.000 2.163 461 I HA -0.280 3.941 4.170 0.085 0.000 0.243 461 I C 2.501 178.447 176.117 -0.284 0.000 1.085 461 I CA 1.293 62.363 61.300 -0.383 0.000 1.347 461 I CB -0.327 37.444 38.000 -0.381 0.000 1.044 461 I HN 0.098 nan 8.210 nan 0.000 0.408 462 V N -0.677 119.148 119.914 -0.148 0.000 3.305 462 V HA -0.165 4.006 4.120 0.085 0.000 0.269 462 V C 2.307 178.378 176.094 -0.037 0.000 1.157 462 V CA 1.944 64.205 62.300 -0.065 0.000 1.157 462 V CB -0.008 31.808 31.823 -0.012 0.000 0.772 462 V HN 0.449 nan 8.190 nan 0.000 0.498 463 S N 0.437 116.048 115.700 -0.149 0.000 2.421 463 S HA -0.057 4.464 4.470 0.085 0.000 0.224 463 S C 1.905 176.417 174.600 -0.146 0.000 1.035 463 S CA 1.173 59.250 58.200 -0.205 0.000 0.953 463 S CB -0.178 62.872 63.200 -0.250 0.000 0.810 463 S HN 0.774 nan 8.310 nan 0.000 0.497 464 M N 0.099 119.587 119.600 -0.186 0.000 2.558 464 M HA 0.239 4.770 4.480 0.085 0.000 0.255 464 M C 1.553 177.743 176.300 -0.184 0.000 1.113 464 M CA 0.773 55.949 55.300 -0.206 0.000 1.097 464 M CB -0.539 31.898 32.600 -0.272 0.000 1.426 464 M HN 0.179 nan 8.290 nan 0.000 0.488 465 L N -0.131 121.020 121.223 -0.120 0.000 2.109 465 L HA -0.059 4.332 4.340 0.085 0.000 0.207 465 L C 2.244 179.031 176.870 -0.137 0.000 1.086 465 L CA 1.162 55.930 54.840 -0.120 0.000 0.760 465 L CB -0.560 41.464 42.059 -0.058 0.000 0.910 465 L HN 0.170 nan 8.230 nan 0.000 0.437 466 F N 0.226 120.034 119.950 -0.237 0.000 2.186 466 F HA -0.099 4.479 4.527 0.085 0.000 0.299 466 F C 2.423 178.058 175.800 -0.276 0.000 1.090 466 F CA 1.449 59.298 58.000 -0.252 0.000 1.307 466 F CB -0.896 37.935 39.000 -0.282 0.000 1.019 466 F HN 0.006 nan 8.300 nan 0.000 0.489 467 G N -1.168 107.574 108.800 -0.097 0.000 2.421 467 G HA2 -0.230 3.781 3.960 0.085 0.000 0.217 467 G HA3 -0.230 3.781 3.960 0.085 0.000 0.217 467 G C 1.710 176.518 174.900 -0.154 0.000 1.143 467 G CA 0.469 45.488 45.100 -0.136 0.000 0.784 467 G HN 0.167 nan 8.290 nan 0.000 0.541 468 R N -0.035 120.304 120.500 -0.268 0.000 2.161 468 R HA 0.252 4.644 4.340 0.085 0.000 0.213 468 R C 1.970 178.070 176.300 -0.333 0.000 1.055 468 R CA 0.552 56.405 56.100 -0.412 0.000 0.996 468 R CB -0.294 29.546 30.300 -0.768 0.000 0.901 468 R HN 0.343 nan 8.270 nan 0.000 0.456 469 L N 0.452 121.515 121.223 -0.266 0.000 2.628 469 L HA 0.248 4.639 4.340 0.085 0.000 0.229 469 L C -0.184 176.613 176.870 -0.121 0.000 1.137 469 L CA 0.080 54.812 54.840 -0.179 0.000 0.909 469 L CB -0.191 41.733 42.059 -0.224 0.000 1.137 469 L HN 0.259 nan 8.230 nan 0.000 0.470 470 E N 0.339 120.503 120.200 -0.060 0.000 2.440 470 E HA -0.303 4.098 4.350 0.085 0.000 0.246 470 E C 0.806 177.462 176.600 0.093 0.000 1.165 470 E CA 0.558 57.023 56.400 0.107 0.000 0.726 470 E CB -1.082 28.650 29.700 0.054 0.000 1.271 470 E HN 0.548 nan 8.360 nan 0.000 0.397 471 I N -3.766 116.722 120.570 -0.136 0.000 4.828 471 I HA -0.541 3.680 4.170 0.085 0.000 0.040 471 I C 1.655 177.593 176.117 -0.298 0.000 0.633 471 I CA 2.431 63.565 61.300 -0.276 0.000 0.495 471 I CB -1.421 36.380 38.000 -0.332 0.000 0.501 471 I HN 0.160 nan 8.210 nan 0.000 0.152 472 F N 1.503 121.408 119.950 -0.075 0.000 2.032 472 F HA -0.323 4.255 4.527 0.085 0.000 0.297 472 F C 2.983 178.533 175.800 -0.417 0.000 1.125 472 F CA 2.671 60.562 58.000 -0.181 0.000 1.202 472 F CB -1.722 37.215 39.000 -0.104 0.000 0.958 472 F HN 0.549 nan 8.300 nan 0.000 0.491 473 T N -1.379 112.997 114.554 -0.298 0.000 2.869 473 T HA -0.227 4.174 4.350 0.085 0.000 0.270 473 T C 1.772 176.129 174.700 -0.571 0.000 1.082 473 T CA 1.715 63.404 62.100 -0.685 0.000 1.123 473 T CB -0.567 68.000 68.868 -0.501 0.000 0.856 473 T HN 0.456 nan 8.240 nan 0.000 0.499 474 L N -1.760 119.192 121.223 -0.453 0.000 2.642 474 L HA 0.502 4.893 4.340 0.085 0.000 0.233 474 L C 2.191 178.810 176.870 -0.419 0.000 1.077 474 L CA -0.006 54.571 54.840 -0.439 0.000 0.879 474 L CB -0.113 41.628 42.059 -0.530 0.000 1.151 474 L HN 0.184 nan 8.230 nan 0.000 0.495 475 L N 0.248 121.239 121.223 -0.388 0.000 2.141 475 L HA -0.134 4.258 4.340 0.085 0.000 0.209 475 L C 2.240 179.030 176.870 -0.134 0.000 1.094 475 L CA 1.324 56.053 54.840 -0.186 0.000 0.763 475 L CB 0.035 42.063 42.059 -0.052 0.000 0.908 475 L HN 0.398 nan 8.230 nan 0.000 0.437 476 I N -0.612 119.816 120.570 -0.238 0.000 3.291 476 I HA -0.211 4.010 4.170 0.085 0.000 0.279 476 I C 1.736 177.553 176.117 -0.500 0.000 1.294 476 I CA 0.211 61.327 61.300 -0.307 0.000 1.428 476 I CB 0.220 37.985 38.000 -0.392 0.000 1.070 476 I HN 0.231 nan 8.210 nan 0.000 0.478 477 L N -0.078 120.899 121.223 -0.411 0.000 2.313 477 L HA -0.068 4.324 4.340 0.085 0.000 0.214 477 L C 1.979 178.875 176.870 0.043 0.000 1.119 477 L CA 1.263 55.942 54.840 -0.269 0.000 0.809 477 L CB -0.599 41.431 42.059 -0.048 0.000 0.933 477 L HN 0.339 nan 8.230 nan 0.000 0.449 478 L N -1.046 120.200 121.223 0.039 0.000 2.446 478 L HA 0.041 4.432 4.340 0.085 0.000 0.219 478 L C 1.232 178.192 176.870 0.150 0.000 1.116 478 L CA 0.255 55.192 54.840 0.163 0.000 0.844 478 L CB -0.684 41.448 42.059 0.122 0.000 0.970 478 L HN 0.093 nan 8.230 nan 0.000 0.457 479 T N 0.213 114.792 114.554 0.041 0.000 2.906 479 T HA -0.040 4.361 4.350 0.085 0.000 0.329 479 T C -1.534 173.240 174.700 0.124 0.000 1.091 479 T CA -0.631 61.503 62.100 0.056 0.000 1.127 479 T CB 0.232 69.107 68.868 0.012 0.000 1.035 479 T HN -0.007 nan 8.240 nan 0.000 0.547 480 P HA 0.020 nan 4.420 nan 0.000 0.215 480 P C 1.308 178.703 177.300 0.157 0.000 1.157 480 P CA 0.791 64.004 63.100 0.189 0.000 0.856 480 P CB -0.129 31.653 31.700 0.136 0.000 0.786 481 T N -1.281 113.334 114.554 0.103 0.000 3.284 481 T HA 0.009 4.411 4.350 0.085 0.000 0.252 481 T C 0.779 175.528 174.700 0.082 0.000 1.144 481 T CA 0.254 62.404 62.100 0.084 0.000 1.021 481 T CB -0.913 67.995 68.868 0.066 0.000 0.984 481 T HN 0.018 nan 8.240 nan 0.000 0.545 482 F N 0.307 120.152 119.950 -0.175 0.000 2.721 482 F HA 0.426 5.005 4.527 0.085 0.000 0.301 482 F C -0.343 175.246 175.800 -0.352 0.000 1.096 482 F CA -2.068 55.718 58.000 -0.356 0.000 1.308 482 F CB 0.338 38.976 39.000 -0.602 0.000 1.086 482 F HN 0.136 nan 8.300 nan 0.000 0.587 483 W N 3.879 125.169 121.300 -0.017 0.000 2.361 483 W HA 0.524 5.235 4.660 0.085 0.000 0.314 483 W C -0.122 176.365 176.519 -0.054 0.000 1.041 483 W CA -0.732 56.565 57.345 -0.081 0.000 1.241 483 W CB 0.859 30.335 29.460 0.026 0.000 1.279 483 W HN -0.162 nan 8.180 nan 0.000 0.436 484 R N 0.000 120.623 120.500 0.206 0.000 2.786 484 R HA 0.000 4.391 4.340 0.085 0.000 0.208 484 R CA 0.000 56.169 56.100 0.116 0.000 0.921 484 R CB 0.000 30.337 30.300 0.062 0.000 0.687 484 R HN 0.000 nan 8.270 nan 0.000 0.535