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 1gow_1_B DATA FIRST_RESID 1 DATA SEQUENCE MYSFPNSFRF GWSQAGFQSE MGTPGSEDPN TDWYKWVHDP ENMAAGLVSG DATA SEQUENCE DLPENGPGYW GNYKTFHDNA QKMGLKIARL NSEWSRQFPN PLPRPQNFDE DATA SEQUENCE SKQDVTEVEI NENELKRLDE YANKDALNHY REIFKDLKSR GLYFIQNMYH DATA SEQUENCE WPLPLWLHDP IRVRRGDFTG PSGWLSTRTV YEFARFSAYT AWKFDDLVDE DATA SEQUENCE YSTMNEPNVV GGLGYVGVKS GFPPGYLSFE LSRRAMYNII QAHARAYDGI DATA SEQUENCE KSVSKKPVGI IYANSSFQPL TDKDMEAVEM AENDNRWWFF DAIIRGEITR DATA SEQUENCE GNEKIVRDDL KGRLDWIGVN YYTRTVVKRT EKGYVSLGGY GHGCERNSVS DATA SEQUENCE LAGLPTSDFG WEFFPEGLYD VLTKYWNRYH LYMYVTENGI ADDADYQRPY DATA SEQUENCE YLVSHVYQVH RAINSGADVR GYLHWSLADN YEWASGFSMR FGLLKVDYNT DATA SEQUENCE KRLYWRPSAL VYREIATNGA ITDEIEHLNS VPPVKPLRH 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 0.000 175.860 176.300 -0.733 0.000 1.140 1 M CA 0.000 55.013 55.300 -0.478 0.000 0.988 1 M CB 0.000 32.460 32.600 -0.233 0.000 1.302 2 Y N 1.790 121.981 120.300 -0.181 0.000 2.326 2 Y HA 0.609 5.159 4.550 -0.000 0.000 0.331 2 Y C -0.073 175.656 175.900 -0.285 0.000 0.962 2 Y CA -0.492 57.365 58.100 -0.404 0.000 1.167 2 Y CB 2.318 40.320 38.460 -0.763 0.000 1.148 2 Y HN 0.606 nan 8.280 nan 0.000 0.463 3 S N 3.408 119.087 115.700 -0.035 0.000 2.608 3 S HA 0.688 5.158 4.470 -0.000 0.000 0.291 3 S C -1.016 173.451 174.600 -0.221 0.000 1.146 3 S CA -0.567 57.609 58.200 -0.041 0.000 1.043 3 S CB 0.663 63.870 63.200 0.011 0.000 1.037 3 S HN 0.373 nan 8.310 nan 0.000 0.520 4 F N 1.299 121.298 119.950 0.082 0.000 2.538 4 F HA 0.506 5.033 4.527 -0.000 0.000 0.325 4 F C -2.040 173.757 175.800 -0.005 0.000 1.066 4 F CA -2.119 55.840 58.000 -0.069 0.000 0.946 4 F CB 0.492 39.359 39.000 -0.220 0.000 1.199 4 F HN 0.324 nan 8.300 nan 0.000 0.473 5 P HA 0.034 nan 4.420 nan 0.000 0.269 5 P C 0.335 177.733 177.300 0.164 0.000 1.211 5 P CA 0.071 63.242 63.100 0.118 0.000 0.781 5 P CB 0.600 32.360 31.700 0.099 0.000 0.877 6 N N -0.014 118.747 118.700 0.102 0.000 2.309 6 N HA -0.097 4.643 4.740 -0.000 0.000 0.182 6 N C 1.146 176.703 175.510 0.079 0.000 1.018 6 N CA 1.297 54.404 53.050 0.095 0.000 0.876 6 N CB -0.269 38.251 38.487 0.056 0.000 0.972 6 N HN 0.426 nan 8.380 nan 0.000 0.434 7 S N -0.039 115.691 115.700 0.051 0.000 2.528 7 S HA 0.055 4.525 4.470 -0.000 0.000 0.219 7 S C 0.482 175.057 174.600 -0.041 0.000 0.985 7 S CA -0.460 57.728 58.200 -0.020 0.000 0.914 7 S CB -0.413 62.751 63.200 -0.061 0.000 0.776 7 S HN 0.215 nan 8.310 nan 0.000 0.526 8 F N 3.312 123.201 119.950 -0.102 0.000 2.484 8 F HA 0.461 4.988 4.527 -0.000 0.000 0.360 8 F C 0.607 176.288 175.800 -0.198 0.000 1.101 8 F CA -0.611 57.282 58.000 -0.178 0.000 1.251 8 F CB 0.511 39.437 39.000 -0.123 0.000 1.132 8 F HN -0.070 nan 8.300 nan 0.000 0.570 9 R N 4.796 124.950 120.500 -0.577 0.000 2.711 9 R HA 0.491 4.831 4.340 -0.000 0.000 0.284 9 R C -1.716 174.344 176.300 -0.400 0.000 0.968 9 R CA -0.869 55.055 56.100 -0.293 0.000 0.924 9 R CB 1.506 31.668 30.300 -0.232 0.000 1.162 9 R HN 0.555 nan 8.270 nan 0.000 0.465 10 F N 0.379 120.363 119.950 0.056 0.000 2.458 10 F HA 0.651 5.178 4.527 -0.000 0.000 0.336 10 F C 0.880 176.784 175.800 0.174 0.000 1.114 10 F CA 0.068 58.161 58.000 0.155 0.000 0.987 10 F CB 2.260 41.296 39.000 0.060 0.000 1.130 10 F HN 0.664 nan 8.300 nan 0.000 0.458 11 G N 1.822 110.913 108.800 0.485 0.000 2.726 11 G HA2 0.459 4.419 3.960 -0.000 0.000 0.198 11 G HA3 0.459 4.419 3.960 -0.000 0.000 0.198 11 G C -2.161 173.143 174.900 0.673 0.000 1.195 11 G CA -0.538 44.878 45.100 0.526 0.000 0.951 11 G HN 0.735 nan 8.290 nan 0.000 0.532 12 W N -0.567 120.837 121.300 0.173 0.000 3.038 12 W HA 0.850 5.510 4.660 -0.000 0.000 0.347 12 W C -0.883 175.646 176.519 0.016 0.000 1.219 12 W CA -0.897 56.503 57.345 0.092 0.000 1.142 12 W CB 1.377 30.863 29.460 0.043 0.000 1.484 12 W HN 0.593 nan 8.180 nan 0.000 0.586 13 S N 0.976 116.716 115.700 0.068 0.000 2.599 13 S HA 0.645 5.115 4.470 -0.000 0.000 0.294 13 S C -1.415 173.031 174.600 -0.256 0.000 1.094 13 S CA -0.737 57.418 58.200 -0.076 0.000 0.931 13 S CB 1.929 65.273 63.200 0.240 0.000 1.093 13 S HN 0.563 nan 8.310 nan 0.000 0.488 14 Q N 0.003 119.720 119.800 -0.140 0.000 2.578 14 Q HA 0.678 5.018 4.340 -0.000 0.000 0.284 14 Q C -2.180 173.844 176.000 0.041 0.000 0.960 14 Q CA -0.690 55.018 55.803 -0.159 0.000 0.809 14 Q CB 1.690 30.367 28.738 -0.102 0.000 1.462 14 Q HN 0.824 nan 8.270 nan 0.000 0.392 15 A N 0.290 123.129 122.820 0.031 0.000 2.423 15 A HA 0.765 5.085 4.320 -0.000 0.000 0.304 15 A C 0.485 178.081 177.584 0.020 0.000 1.104 15 A CA 0.062 51.994 52.037 -0.174 0.000 0.757 15 A CB 1.289 19.856 19.000 -0.722 0.000 1.313 15 A HN 0.880 nan 8.150 nan 0.000 0.423 16 G N -0.154 108.728 108.800 0.135 0.000 2.414 16 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.215 16 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.215 16 G C 1.257 176.280 174.900 0.204 0.000 1.188 16 G CA 1.414 46.675 45.100 0.268 0.000 0.783 16 G HN 0.706 nan 8.290 nan 0.000 0.537 17 F N 1.766 121.740 119.950 0.041 0.000 2.161 17 F HA -0.099 4.428 4.527 -0.000 0.000 0.300 17 F C 3.014 178.697 175.800 -0.196 0.000 1.089 17 F CA 1.979 59.947 58.000 -0.054 0.000 1.282 17 F CB -0.142 38.833 39.000 -0.042 0.000 1.010 17 F HN 0.231 nan 8.300 nan 0.000 0.485 18 Q N -1.174 118.485 119.800 -0.235 0.000 2.123 18 Q HA -0.089 4.251 4.340 -0.000 0.000 0.199 18 Q C 1.978 177.964 176.000 -0.023 0.000 0.966 18 Q CA 1.716 57.379 55.803 -0.232 0.000 0.845 18 Q CB -0.192 28.437 28.738 -0.181 0.000 0.907 18 Q HN 0.328 nan 8.270 nan 0.000 0.439 19 S N -0.077 115.643 115.700 0.033 0.000 2.554 19 S HA 0.056 4.526 4.470 -0.000 0.000 0.227 19 S C 1.412 176.109 174.600 0.161 0.000 1.050 19 S CA -0.223 58.048 58.200 0.118 0.000 0.927 19 S CB 0.404 63.641 63.200 0.062 0.000 0.859 19 S HN 0.257 nan 8.310 nan 0.000 0.494 20 E N 1.517 121.822 120.200 0.176 0.000 2.031 20 E HA -0.002 4.348 4.350 -0.000 0.000 0.193 20 E C 0.384 177.075 176.600 0.152 0.000 0.994 20 E CA 0.781 57.334 56.400 0.255 0.000 0.800 20 E CB -0.110 29.748 29.700 0.263 0.000 0.752 20 E HN 0.443 nan 8.360 nan 0.000 0.447 21 M N -0.778 118.832 119.600 0.017 0.000 2.232 21 M HA 0.140 4.620 4.480 -0.000 0.000 0.321 21 M C 1.009 177.346 176.300 0.061 0.000 1.101 21 M CA 1.069 56.363 55.300 -0.011 0.000 1.181 21 M CB 1.054 33.603 32.600 -0.084 0.000 1.432 21 M HN 0.367 nan 8.290 nan 0.000 0.457 22 G N -0.045 108.797 108.800 0.069 0.000 3.345 22 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.199 22 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.199 22 G C 0.021 174.979 174.900 0.097 0.000 1.057 22 G CA -0.094 45.063 45.100 0.095 0.000 0.865 22 G HN 0.756 nan 8.290 nan 0.000 0.449 23 T N 2.250 116.872 114.554 0.114 0.000 2.856 23 T HA 0.625 4.975 4.350 -0.000 0.000 0.292 23 T C -2.205 172.552 174.700 0.096 0.000 0.980 23 T CA -1.418 60.751 62.100 0.113 0.000 1.091 23 T CB 2.035 70.990 68.868 0.145 0.000 0.936 23 T HN 0.303 nan 8.240 nan 0.000 0.503 24 P HA 0.114 nan 4.420 nan 0.000 0.263 24 P C 0.997 178.337 177.300 0.067 0.000 1.175 24 P CA 0.809 63.946 63.100 0.063 0.000 0.761 24 P CB 0.137 31.871 31.700 0.056 0.000 0.794 25 G N 2.567 111.392 108.800 0.041 0.000 2.160 25 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.251 25 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.251 25 G C 0.621 175.521 174.900 -0.001 0.000 1.008 25 G CA 0.433 45.550 45.100 0.029 0.000 0.724 25 G HN 0.753 nan 8.290 nan 0.000 0.514 26 S N -1.337 114.337 115.700 -0.043 0.000 2.539 26 S HA 0.425 4.895 4.470 -0.000 0.000 0.221 26 S C 0.505 174.905 174.600 -0.333 0.000 0.987 26 S CA 0.431 58.486 58.200 -0.241 0.000 0.929 26 S CB 0.769 63.930 63.200 -0.065 0.000 0.832 26 S HN 0.415 nan 8.310 nan 0.000 0.492 27 E N 2.431 122.525 120.200 -0.176 0.000 2.437 27 E HA 0.382 4.732 4.350 -0.000 0.000 0.263 27 E C -0.528 175.924 176.600 -0.247 0.000 1.030 27 E CA 0.391 56.700 56.400 -0.151 0.000 0.934 27 E CB 0.280 29.936 29.700 -0.073 0.000 0.943 27 E HN 0.293 nan 8.360 nan 0.000 0.444 28 D N 2.275 122.521 120.400 -0.257 0.000 2.336 28 D HA 0.192 4.832 4.640 -0.000 0.000 0.248 28 D C -2.374 173.645 176.300 -0.468 0.000 1.326 28 D CA -1.964 51.878 54.000 -0.263 0.000 0.973 28 D CB 1.186 41.898 40.800 -0.147 0.000 1.255 28 D HN 0.127 nan 8.370 nan 0.000 0.558 29 P HA 0.238 nan 4.420 nan 0.000 0.259 29 P C -0.460 176.617 177.300 -0.371 0.000 1.530 29 P CA -0.115 62.341 63.100 -1.073 0.000 1.022 29 P CB -0.168 31.011 31.700 -0.869 0.000 1.514 30 N N 0.208 118.809 118.700 -0.164 0.000 2.380 30 N HA 0.081 4.821 4.740 -0.000 0.000 0.255 30 N C 0.028 175.545 175.510 0.011 0.000 1.158 30 N CA -0.055 52.978 53.050 -0.029 0.000 0.878 30 N CB 0.374 38.874 38.487 0.022 0.000 1.138 30 N HN 0.163 nan 8.380 nan 0.000 0.509 31 T N -3.259 111.337 114.554 0.071 0.000 2.930 31 T HA 0.211 4.561 4.350 -0.000 0.000 0.290 31 T C 0.757 175.505 174.700 0.081 0.000 1.052 31 T CA -0.903 61.245 62.100 0.081 0.000 1.017 31 T CB 1.594 70.570 68.868 0.180 0.000 1.137 31 T HN -0.021 nan 8.240 nan 0.000 0.511 32 D N -0.166 120.223 120.400 -0.017 0.000 2.178 32 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 32 D C 1.369 177.631 176.300 -0.063 0.000 0.980 32 D CA 0.996 54.910 54.000 -0.143 0.000 0.842 32 D CB -0.487 40.062 40.800 -0.418 0.000 0.948 32 D HN 0.707 nan 8.370 nan 0.000 0.472 33 W N 0.005 121.254 121.300 -0.085 0.000 2.379 33 W HA -0.066 4.594 4.660 -0.000 0.000 0.307 33 W C 2.323 178.973 176.519 0.218 0.000 1.200 33 W CA 0.714 58.011 57.345 -0.080 0.000 1.297 33 W CB -0.717 28.408 29.460 -0.559 0.000 1.140 33 W HN -0.031 nan 8.180 nan 0.000 0.507 34 Y N 1.373 121.929 120.300 0.427 0.000 2.207 34 Y HA -0.278 4.272 4.550 -0.000 0.000 0.287 34 Y C 2.452 178.632 175.900 0.466 0.000 1.156 34 Y CA 2.257 60.694 58.100 0.561 0.000 1.182 34 Y CB -0.410 38.294 38.460 0.406 0.000 0.979 34 Y HN -0.154 nan 8.280 nan 0.000 0.521 35 K N -0.328 120.356 120.400 0.474 0.000 2.031 35 K HA -0.224 4.096 4.320 -0.000 0.000 0.205 35 K C 2.257 179.011 176.600 0.258 0.000 1.049 35 K CA 1.345 57.818 56.287 0.310 0.000 0.939 35 K CB -0.817 31.798 32.500 0.192 0.000 0.717 35 K HN 0.584 nan 8.250 nan 0.000 0.438 36 W N 1.946 123.241 121.300 -0.010 0.000 2.318 36 W HA -0.239 4.421 4.660 -0.000 0.000 0.313 36 W C 1.596 178.112 176.519 -0.005 0.000 1.221 36 W CA 2.137 59.416 57.345 -0.110 0.000 1.266 36 W CB -0.063 29.178 29.460 -0.365 0.000 1.150 36 W HN 0.054 nan 8.180 nan 0.000 0.496 37 V N -1.806 118.273 119.914 0.276 0.000 3.217 37 V HA -0.117 4.003 4.120 -0.000 0.000 0.264 37 V C 1.208 177.243 176.094 -0.098 0.000 1.135 37 V CA 1.882 64.257 62.300 0.124 0.000 1.142 37 V CB -1.014 31.008 31.823 0.332 0.000 0.754 37 V HN 0.132 nan 8.190 nan 0.000 0.484 38 H N -0.210 118.821 119.070 -0.064 0.000 2.586 38 H HA 0.335 4.891 4.556 -0.000 0.000 0.273 38 H C 0.456 175.733 175.328 -0.085 0.000 0.997 38 H CA 0.031 56.022 56.048 -0.096 0.000 1.177 38 H CB 0.129 29.819 29.762 -0.120 0.000 1.471 38 H HN 0.530 nan 8.280 nan 0.000 0.538 39 D N 1.169 121.556 120.400 -0.022 0.000 2.434 39 D HA -0.026 4.614 4.640 -0.000 0.000 0.252 39 D C -1.512 174.721 176.300 -0.112 0.000 1.185 39 D CA -1.399 52.547 54.000 -0.091 0.000 0.886 39 D CB 1.251 41.922 40.800 -0.215 0.000 1.148 39 D HN 0.062 nan 8.370 nan 0.000 0.483 40 P HA -0.124 nan 4.420 nan 0.000 0.218 40 P C 0.584 177.830 177.300 -0.090 0.000 1.149 40 P CA 1.074 64.135 63.100 -0.064 0.000 0.817 40 P CB 0.205 31.883 31.700 -0.037 0.000 0.785 41 E N -0.927 119.204 120.200 -0.115 0.000 2.072 41 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 41 E C 1.739 178.235 176.600 -0.173 0.000 0.982 41 E CA 0.695 57.021 56.400 -0.123 0.000 0.803 41 E CB -0.476 29.154 29.700 -0.117 0.000 0.755 41 E HN 0.206 nan 8.360 nan 0.000 0.453 42 N N 0.692 119.228 118.700 -0.273 0.000 2.166 42 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 42 N C 1.713 177.088 175.510 -0.224 0.000 1.019 42 N CA 1.146 53.975 53.050 -0.368 0.000 0.856 42 N CB -0.070 38.009 38.487 -0.679 0.000 0.993 42 N HN 0.162 nan 8.380 nan 0.000 0.426 43 M N -0.090 119.409 119.600 -0.169 0.000 2.132 43 M HA -0.015 4.465 4.480 -0.000 0.000 0.263 43 M C 2.085 178.340 176.300 -0.075 0.000 1.065 43 M CA 1.283 56.520 55.300 -0.105 0.000 1.122 43 M CB -0.135 32.414 32.600 -0.086 0.000 1.365 43 M HN 0.131 nan 8.290 nan 0.000 0.411 44 A N 0.125 122.900 122.820 -0.074 0.000 1.969 44 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 44 A C 2.201 179.756 177.584 -0.048 0.000 1.169 44 A CA 1.699 53.705 52.037 -0.052 0.000 0.635 44 A CB -0.741 18.231 19.000 -0.048 0.000 0.810 44 A HN 0.499 nan 8.150 nan 0.000 0.445 45 A N -1.684 121.098 122.820 -0.064 0.000 2.208 45 A HA 0.399 4.718 4.320 -0.000 0.000 0.209 45 A C 1.798 179.363 177.584 -0.032 0.000 1.161 45 A CA 1.192 53.200 52.037 -0.048 0.000 0.782 45 A CB -0.931 18.031 19.000 -0.063 0.000 0.816 45 A HN 1.863 nan 8.150 nan 0.000 0.477 46 G N -0.984 107.794 108.800 -0.036 0.000 2.160 46 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.251 46 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.251 46 G C 0.679 175.584 174.900 0.009 0.000 1.008 46 G CA 0.527 45.620 45.100 -0.011 0.000 0.724 46 G HN 0.439 nan 8.290 nan 0.000 0.514 47 L N -0.726 120.489 121.223 -0.015 0.000 2.240 47 L HA 0.224 4.564 4.340 -0.000 0.000 0.211 47 L C 1.535 178.464 176.870 0.097 0.000 1.106 47 L CA 1.357 56.219 54.840 0.036 0.000 0.793 47 L CB 0.007 42.050 42.059 -0.026 0.000 0.927 47 L HN 0.498 nan 8.230 nan 0.000 0.446 48 V N -5.006 114.925 119.914 0.030 0.000 2.823 48 V HA 0.349 4.469 4.120 -0.000 0.000 0.312 48 V C 1.058 177.173 176.094 0.035 0.000 1.072 48 V CA -0.292 62.059 62.300 0.084 0.000 0.937 48 V CB 1.610 33.460 31.823 0.044 0.000 1.013 48 V HN 0.150 nan 8.190 nan 0.000 0.430 49 S N 1.852 117.574 115.700 0.036 0.000 2.400 49 S HA 0.097 4.567 4.470 -0.000 0.000 0.232 49 S C 1.718 176.300 174.600 -0.029 0.000 1.025 49 S CA 1.839 60.033 58.200 -0.011 0.000 0.993 49 S CB -0.524 62.635 63.200 -0.068 0.000 0.808 49 S HN 2.828 nan 8.310 nan 0.000 0.478 50 G N 0.388 109.164 108.800 -0.040 0.000 2.195 50 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.224 50 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.224 50 G C -0.477 174.385 174.900 -0.063 0.000 0.990 50 G CA 0.033 45.100 45.100 -0.054 0.000 0.639 50 G HN 0.547 nan 8.290 nan 0.000 0.514 51 D N 0.821 121.179 120.400 -0.071 0.000 2.304 51 D HA 0.575 5.215 4.640 -0.000 0.000 0.250 51 D C 0.740 176.997 176.300 -0.072 0.000 1.107 51 D CA 0.134 54.082 54.000 -0.087 0.000 0.885 51 D CB 1.172 41.812 40.800 -0.267 0.000 1.192 51 D HN 0.332 nan 8.370 nan 0.000 0.436 52 L N 3.860 125.008 121.223 -0.125 0.000 2.317 52 L HA 0.311 4.651 4.340 -0.000 0.000 0.281 52 L C -1.476 175.157 176.870 -0.395 0.000 1.024 52 L CA -1.894 52.765 54.840 -0.302 0.000 0.810 52 L CB 1.872 43.771 42.059 -0.267 0.000 1.240 52 L HN 0.141 nan 8.230 nan 0.000 0.427 53 P HA -0.148 nan 4.420 nan 0.000 0.218 53 P C 0.838 177.983 177.300 -0.258 0.000 1.148 53 P CA 0.974 63.533 63.100 -0.901 0.000 0.822 53 P CB 0.264 31.239 31.700 -1.207 0.000 0.784 54 E N -0.297 119.852 120.200 -0.086 0.000 2.284 54 E HA -0.192 4.158 4.350 -0.000 0.000 0.200 54 E C 0.408 177.044 176.600 0.060 0.000 1.008 54 E CA 1.170 57.598 56.400 0.048 0.000 0.829 54 E CB -1.062 28.712 29.700 0.123 0.000 0.744 54 E HN 0.515 nan 8.360 nan 0.000 0.491 55 N N 0.050 118.810 118.700 0.100 0.000 2.389 55 N HA 0.202 4.942 4.740 -0.000 0.000 0.260 55 N C 0.202 175.692 175.510 -0.033 0.000 1.191 55 N CA -0.038 53.057 53.050 0.074 0.000 0.885 55 N CB 1.341 39.877 38.487 0.081 0.000 1.162 55 N HN 0.087 nan 8.380 nan 0.000 0.512 56 G N 1.315 110.170 108.800 0.091 0.000 2.516 56 G HA2 0.104 4.064 3.960 -0.000 0.000 0.276 56 G HA3 0.104 4.064 3.960 -0.000 0.000 0.276 56 G C -1.317 173.738 174.900 0.260 0.000 1.390 56 G CA -0.858 44.316 45.100 0.124 0.000 1.050 56 G HN -0.066 nan 8.290 nan 0.000 0.519 57 P HA -0.025 nan 4.420 nan 0.000 0.216 57 P C 1.086 178.569 177.300 0.306 0.000 1.153 57 P CA 2.474 65.789 63.100 0.359 0.000 0.858 57 P CB 0.060 32.033 31.700 0.455 0.000 0.789 58 G N -3.345 105.598 108.800 0.239 0.000 2.145 58 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.176 58 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.176 58 G C 0.445 175.419 174.900 0.124 0.000 1.013 58 G CA -0.013 45.200 45.100 0.187 0.000 0.689 58 G HN 0.276 nan 8.290 nan 0.000 0.506 59 Y N -0.502 119.714 120.300 -0.141 0.000 2.639 59 Y HA 0.085 4.635 4.550 -0.000 0.000 0.297 59 Y C 2.078 177.985 175.900 0.011 0.000 1.151 59 Y CA 1.615 59.474 58.100 -0.402 0.000 1.335 59 Y CB -0.013 38.143 38.460 -0.507 0.000 0.994 59 Y HN 0.559 nan 8.280 nan 0.000 0.548 60 W N -0.116 121.125 121.300 -0.097 0.000 2.481 60 W HA 0.004 4.664 4.660 -0.000 0.000 0.293 60 W C 1.819 178.373 176.519 0.057 0.000 1.201 60 W CA 1.544 58.809 57.345 -0.134 0.000 1.328 60 W CB -0.397 28.956 29.460 -0.179 0.000 1.112 60 W HN 0.174 nan 8.180 nan 0.000 0.546 61 G N -0.140 108.762 108.800 0.170 0.000 2.576 61 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.210 61 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.210 61 G C 0.798 175.725 174.900 0.045 0.000 1.143 61 G CA 0.142 45.323 45.100 0.134 0.000 0.819 61 G HN 0.045 nan 8.290 nan 0.000 0.534 62 N N 0.769 119.484 118.700 0.025 0.000 2.327 62 N HA 0.107 4.846 4.740 -0.000 0.000 0.231 62 N C 1.136 176.613 175.510 -0.054 0.000 1.130 62 N CA -0.373 52.676 53.050 -0.001 0.000 0.845 62 N CB -0.049 38.539 38.487 0.168 0.000 1.073 62 N HN 0.632 nan 8.380 nan 0.000 0.496 63 Y N 0.027 120.163 120.300 -0.274 0.000 2.421 63 Y HA 0.088 4.638 4.550 -0.000 0.000 0.292 63 Y C 1.767 177.689 175.900 0.037 0.000 1.136 63 Y CA 0.643 58.517 58.100 -0.377 0.000 1.255 63 Y CB -0.276 37.700 38.460 -0.807 0.000 0.991 63 Y HN -0.137 nan 8.280 nan 0.000 0.552 64 K N 0.494 120.625 120.400 -0.448 0.000 2.002 64 K HA -0.108 4.212 4.320 -0.000 0.000 0.209 64 K C 2.072 178.711 176.600 0.064 0.000 1.048 64 K CA 2.041 58.239 56.287 -0.148 0.000 0.930 64 K CB -0.424 31.893 32.500 -0.305 0.000 0.714 64 K HN 0.331 nan 8.250 nan 0.000 0.438 65 T N 1.057 115.642 114.554 0.050 0.000 2.699 65 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 65 T C 1.581 176.375 174.700 0.158 0.000 1.036 65 T CA 1.420 63.579 62.100 0.098 0.000 1.147 65 T CB -0.342 68.587 68.868 0.101 0.000 0.862 65 T HN 0.053 nan 8.240 nan 0.000 0.446 66 F N 1.162 121.091 119.950 -0.035 0.000 2.134 66 F HA -0.052 4.475 4.527 -0.000 0.000 0.299 66 F C 2.340 178.069 175.800 -0.117 0.000 1.097 66 F CA 1.046 58.993 58.000 -0.089 0.000 1.264 66 F CB -0.825 38.179 39.000 0.006 0.000 1.001 66 F HN 0.378 nan 8.300 nan 0.000 0.479 67 H N -1.400 117.870 119.070 0.333 0.000 2.462 67 H HA -0.089 4.467 4.556 -0.000 0.000 0.292 67 H C 1.746 177.153 175.328 0.130 0.000 1.049 67 H CA 1.040 57.238 56.048 0.250 0.000 1.334 67 H CB -0.114 29.813 29.762 0.276 0.000 1.404 67 H HN 0.076 nan 8.280 nan 0.000 0.544 68 D N 0.322 120.844 120.400 0.204 0.000 2.078 68 D HA -0.148 4.492 4.640 -0.000 0.000 0.193 68 D C 1.808 178.177 176.300 0.116 0.000 0.990 68 D CA 0.910 54.986 54.000 0.126 0.000 0.827 68 D CB -0.314 40.534 40.800 0.081 0.000 0.975 68 D HN 0.329 nan 8.370 nan 0.000 0.451 69 N N 0.580 119.332 118.700 0.085 0.000 2.205 69 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 69 N C 1.685 177.197 175.510 0.003 0.000 1.015 69 N CA 1.088 54.207 53.050 0.116 0.000 0.862 69 N CB -0.093 38.390 38.487 -0.006 0.000 0.986 69 N HN 0.114 nan 8.380 nan 0.000 0.429 70 A N 1.044 123.808 122.820 -0.094 0.000 1.969 70 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 70 A C 2.204 179.810 177.584 0.036 0.000 1.169 70 A CA 0.996 52.933 52.037 -0.167 0.000 0.635 70 A CB -0.396 18.431 19.000 -0.288 0.000 0.810 70 A HN 0.277 nan 8.150 nan 0.000 0.445 71 Q N -0.343 119.523 119.800 0.111 0.000 2.046 71 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 71 Q C 1.995 178.065 176.000 0.116 0.000 0.975 71 Q CA 1.510 57.387 55.803 0.123 0.000 0.836 71 Q CB -0.134 28.674 28.738 0.118 0.000 0.896 71 Q HN 0.647 nan 8.270 nan 0.000 0.428 72 K N 0.074 120.565 120.400 0.151 0.000 2.113 72 K HA -0.161 4.158 4.320 -0.000 0.000 0.208 72 K C 1.887 178.637 176.600 0.250 0.000 1.047 72 K CA 1.431 57.836 56.287 0.196 0.000 0.928 72 K CB -0.110 32.552 32.500 0.271 0.000 0.716 72 K HN 0.268 nan 8.250 nan 0.000 0.446 73 M N -0.573 119.166 119.600 0.231 0.000 2.619 73 M HA -0.001 4.479 4.480 -0.000 0.000 0.251 73 M C 0.714 177.023 176.300 0.015 0.000 1.106 73 M CA 0.838 56.211 55.300 0.120 0.000 1.086 73 M CB 0.331 32.883 32.600 -0.079 0.000 1.465 73 M HN 0.452 nan 8.290 nan 0.000 0.506 74 G N 1.849 110.677 108.800 0.047 0.000 2.182 74 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.248 74 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.248 74 G C -0.158 174.765 174.900 0.038 0.000 1.042 74 G CA -0.339 44.784 45.100 0.038 0.000 0.775 74 G HN 0.393 nan 8.290 nan 0.000 0.501 75 L N -0.950 120.314 121.223 0.068 0.000 2.371 75 L HA 0.470 4.810 4.340 -0.000 0.000 0.272 75 L C 1.314 178.307 176.870 0.206 0.000 1.124 75 L CA -0.184 54.744 54.840 0.147 0.000 0.816 75 L CB 1.099 43.297 42.059 0.233 0.000 1.129 75 L HN 0.137 nan 8.230 nan 0.000 0.448 76 K N 3.425 123.949 120.400 0.207 0.000 2.469 76 K HA 0.448 4.768 4.320 -0.000 0.000 0.204 76 K C -0.535 176.162 176.600 0.162 0.000 1.047 76 K CA -0.018 56.370 56.287 0.169 0.000 1.072 76 K CB 1.169 33.739 32.500 0.117 0.000 0.863 76 K HN 0.455 nan 8.250 nan 0.000 0.530 77 I N 0.350 121.030 120.570 0.184 0.000 2.775 77 I HA 0.502 4.672 4.170 -0.000 0.000 0.295 77 I C -2.073 174.045 176.117 0.002 0.000 1.287 77 I CA -0.807 60.562 61.300 0.114 0.000 1.029 77 I CB 1.977 40.014 38.000 0.061 0.000 1.282 77 I HN -0.006 nan 8.210 nan 0.000 0.426 78 A N 6.831 129.545 122.820 -0.176 0.000 2.475 78 A HA 0.800 5.120 4.320 -0.000 0.000 0.301 78 A C -1.320 176.068 177.584 -0.327 0.000 1.059 78 A CA -0.692 50.981 52.037 -0.608 0.000 0.710 78 A CB 1.918 20.359 19.000 -0.932 0.000 1.288 78 A HN 0.700 nan 8.150 nan 0.000 0.408 79 R N 2.780 123.035 120.500 -0.408 0.000 2.521 79 R HA 0.558 4.898 4.340 -0.000 0.000 0.295 79 R C -1.989 174.225 176.300 -0.143 0.000 1.183 79 R CA -0.373 55.614 56.100 -0.188 0.000 0.957 79 R CB 0.387 30.618 30.300 -0.115 0.000 1.171 79 R HN 0.579 nan 8.270 nan 0.000 0.494 80 L N 2.615 123.819 121.223 -0.032 0.000 2.341 80 L HA 0.592 4.932 4.340 -0.000 0.000 0.267 80 L C 0.027 176.943 176.870 0.076 0.000 1.022 80 L CA -0.747 54.120 54.840 0.045 0.000 0.844 80 L CB 1.253 43.397 42.059 0.142 0.000 1.436 80 L HN 0.718 nan 8.230 nan 0.000 0.483 81 N N -1.657 117.150 118.700 0.179 0.000 2.416 81 N HA 0.367 5.106 4.740 -0.000 0.000 0.276 81 N C -1.591 174.092 175.510 0.287 0.000 1.261 81 N CA -0.480 52.697 53.050 0.211 0.000 0.790 81 N CB 1.800 40.451 38.487 0.272 0.000 1.554 81 N HN 0.362 nan 8.380 nan 0.000 0.481 82 S N 0.291 116.131 115.700 0.233 0.000 2.554 82 S HA 0.230 4.700 4.470 -0.000 0.000 0.278 82 S C -0.453 174.389 174.600 0.404 0.000 1.242 82 S CA -0.582 57.675 58.200 0.095 0.000 1.051 82 S CB 0.759 63.957 63.200 -0.003 0.000 0.986 82 S HN 0.410 nan 8.310 nan 0.000 0.502 83 E N 2.265 122.768 120.200 0.505 0.000 2.105 83 E HA 0.017 4.366 4.350 -0.000 0.000 0.285 83 E C 0.422 177.361 176.600 0.566 0.000 1.055 83 E CA -0.284 56.441 56.400 0.540 0.000 0.843 83 E CB 0.444 30.434 29.700 0.484 0.000 1.067 83 E HN 0.772 nan 8.360 nan 0.000 0.398 84 W N 4.100 125.560 121.300 0.267 0.000 2.290 84 W HA -0.283 4.377 4.660 -0.000 0.000 0.318 84 W C 1.777 178.348 176.519 0.087 0.000 1.248 84 W CA 2.405 59.703 57.345 -0.079 0.000 1.263 84 W CB -0.640 28.605 29.460 -0.359 0.000 1.147 84 W HN 0.479 nan 8.180 nan 0.000 0.494 85 S N -0.030 115.869 115.700 0.333 0.000 2.547 85 S HA -0.086 4.384 4.470 -0.000 0.000 0.235 85 S C 1.776 176.526 174.600 0.250 0.000 0.980 85 S CA 0.974 59.300 58.200 0.210 0.000 0.941 85 S CB -0.408 62.857 63.200 0.108 0.000 0.763 85 S HN 0.382 nan 8.310 nan 0.000 0.532 86 R N 0.281 120.963 120.500 0.302 0.000 2.127 86 R HA 0.156 4.496 4.340 -0.000 0.000 0.217 86 R C 2.417 178.875 176.300 0.264 0.000 1.074 86 R CA 0.869 57.117 56.100 0.246 0.000 0.991 86 R CB -0.228 30.239 30.300 0.279 0.000 0.895 86 R HN 0.343 nan 8.270 nan 0.000 0.450 87 Q N -0.016 119.953 119.800 0.283 0.000 1.969 87 Q HA -0.014 4.326 4.340 -0.000 0.000 0.198 87 Q C -0.090 175.855 176.000 -0.092 0.000 0.978 87 Q CA 1.370 57.180 55.803 0.013 0.000 0.830 87 Q CB 0.200 28.797 28.738 -0.235 0.000 0.896 87 Q HN 0.102 nan 8.270 nan 0.000 0.431 88 F N 0.972 121.232 119.950 0.516 0.000 2.334 88 F HA 0.304 4.831 4.527 -0.000 0.000 0.343 88 F C -1.724 174.362 175.800 0.476 0.000 1.136 88 F CA -2.577 55.706 58.000 0.473 0.000 1.237 88 F CB 1.060 40.437 39.000 0.628 0.000 1.525 88 F HN 0.129 nan 8.300 nan 0.000 0.528 89 P HA -0.033 nan 4.420 nan 0.000 0.236 89 P C -0.414 177.085 177.300 0.331 0.000 1.177 89 P CA 0.677 63.997 63.100 0.366 0.000 0.773 89 P CB 0.411 32.234 31.700 0.206 0.000 0.878 90 N N 0.136 118.928 118.700 0.154 0.000 2.335 90 N HA 0.382 5.122 4.740 -0.000 0.000 0.304 90 N C -2.824 172.189 175.510 -0.828 0.000 1.135 90 N CA -2.153 50.778 53.050 -0.198 0.000 0.817 90 N CB 0.788 39.227 38.487 -0.080 0.000 1.294 90 N HN -0.156 nan 8.380 nan 0.000 0.497 91 P HA 0.010 nan 4.420 nan 0.000 0.267 91 P C -0.772 175.833 177.300 -1.158 0.000 1.200 91 P CA 0.321 62.414 63.100 -1.678 0.000 0.772 91 P CB 0.637 31.860 31.700 -0.794 0.000 0.855 92 L N 4.258 124.755 121.223 -1.211 0.000 2.352 92 L HA 0.475 4.815 4.340 -0.000 0.000 0.269 92 L C -1.770 174.737 176.870 -0.606 0.000 1.034 92 L CA -2.244 52.072 54.840 -0.872 0.000 0.806 92 L CB 1.011 42.691 42.059 -0.631 0.000 1.244 92 L HN 0.281 nan 8.230 nan 0.000 0.447 93 P HA 0.048 nan 4.420 nan 0.000 0.267 93 P C -0.644 176.534 177.300 -0.203 0.000 1.205 93 P CA -0.294 62.614 63.100 -0.320 0.000 0.765 93 P CB 0.528 32.076 31.700 -0.254 0.000 0.828 94 R N 4.423 124.845 120.500 -0.129 0.000 2.494 94 R HA 0.009 4.349 4.340 -0.000 0.000 0.291 94 R C -1.595 174.663 176.300 -0.071 0.000 0.953 94 R CA -0.712 55.350 56.100 -0.064 0.000 1.098 94 R CB -0.153 30.133 30.300 -0.024 0.000 0.911 94 R HN 0.408 nan 8.270 nan 0.000 0.407 95 P HA 0.028 nan 4.420 nan 0.000 0.277 95 P C -1.066 176.169 177.300 -0.108 0.000 1.354 95 P CA -0.566 62.448 63.100 -0.143 0.000 0.891 95 P CB 1.007 32.506 31.700 -0.336 0.000 1.058 96 Q N 2.782 122.562 119.800 -0.035 0.000 2.714 96 Q HA -0.146 4.194 4.340 -0.000 0.000 0.269 96 Q C 0.758 176.764 176.000 0.009 0.000 1.189 96 Q CA 0.330 56.128 55.803 -0.008 0.000 1.039 96 Q CB -1.035 27.702 28.738 -0.001 0.000 1.339 96 Q HN 0.674 nan 8.270 nan 0.000 0.537 97 N N -1.077 117.633 118.700 0.016 0.000 2.669 97 N HA -0.260 4.480 4.740 -0.000 0.000 0.266 97 N C -1.336 174.226 175.510 0.085 0.000 1.024 97 N CA 0.563 53.636 53.050 0.039 0.000 0.766 97 N CB -1.564 36.958 38.487 0.058 0.000 0.898 97 N HN 0.564 nan 8.380 nan 0.000 0.548 98 F N 1.248 121.105 119.950 -0.154 0.000 3.055 98 F HA 0.281 4.808 4.527 -0.000 0.000 0.358 98 F C -1.708 174.005 175.800 -0.145 0.000 1.262 98 F CA -1.322 56.544 58.000 -0.223 0.000 1.172 98 F CB 1.221 39.867 39.000 -0.589 0.000 1.503 98 F HN 0.129 nan 8.300 nan 0.000 0.621 99 D N 4.971 124.947 120.400 -0.707 0.000 2.428 99 D HA 0.166 4.806 4.640 -0.000 0.000 0.221 99 D C 1.089 176.886 176.300 -0.839 0.000 1.123 99 D CA 0.185 53.806 54.000 -0.632 0.000 0.869 99 D CB 0.944 41.570 40.800 -0.290 0.000 1.032 99 D HN 0.630 nan 8.370 nan 0.000 0.506 100 E N 1.895 121.540 120.200 -0.926 0.000 2.147 100 E HA -0.223 4.127 4.350 -0.000 0.000 0.199 100 E C 1.339 177.788 176.600 -0.251 0.000 1.005 100 E CA 1.259 57.325 56.400 -0.557 0.000 0.810 100 E CB 0.007 29.549 29.700 -0.263 0.000 0.736 100 E HN 0.598 nan 8.360 nan 0.000 0.460 101 S N 0.106 115.677 115.700 -0.215 0.000 2.603 101 S HA -0.028 4.442 4.470 -0.000 0.000 0.229 101 S C 0.753 175.299 174.600 -0.090 0.000 0.972 101 S CA 0.115 58.243 58.200 -0.121 0.000 0.935 101 S CB 0.069 63.207 63.200 -0.104 0.000 0.769 101 S HN -0.126 nan 8.310 nan 0.000 0.536 102 K N 2.586 122.921 120.400 -0.108 0.000 2.316 102 K HA 0.225 4.545 4.320 -0.000 0.000 0.289 102 K C 1.091 177.716 176.600 0.043 0.000 1.070 102 K CA -0.366 55.902 56.287 -0.032 0.000 0.928 102 K CB 0.942 33.425 32.500 -0.030 0.000 1.039 102 K HN 0.422 nan 8.250 nan 0.000 0.480 103 Q N 1.964 121.796 119.800 0.054 0.000 2.020 103 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 103 Q C -0.481 175.651 176.000 0.221 0.000 0.982 103 Q CA 1.566 57.433 55.803 0.106 0.000 0.838 103 Q CB 0.275 29.044 28.738 0.052 0.000 0.899 103 Q HN 0.565 nan 8.270 nan 0.000 0.423 104 D N -0.331 120.185 120.400 0.194 0.000 2.283 104 D HA 0.273 4.913 4.640 -0.000 0.000 0.248 104 D C -1.174 175.225 176.300 0.165 0.000 1.072 104 D CA -0.237 53.882 54.000 0.199 0.000 0.929 104 D CB 1.962 42.857 40.800 0.158 0.000 1.182 104 D HN -0.067 nan 8.370 nan 0.000 0.433 105 V N 1.871 121.866 119.914 0.135 0.000 2.320 105 V HA 0.104 4.224 4.120 -0.000 0.000 0.268 105 V C 1.076 177.215 176.094 0.076 0.000 1.021 105 V CA -0.448 61.944 62.300 0.154 0.000 0.813 105 V CB 0.812 32.746 31.823 0.186 0.000 1.054 105 V HN 0.733 nan 8.190 nan 0.000 0.444 106 T N -0.420 114.177 114.554 0.072 0.000 3.085 106 T HA 0.114 4.464 4.350 -0.000 0.000 0.263 106 T C 0.427 175.141 174.700 0.022 0.000 1.127 106 T CA 0.634 62.753 62.100 0.033 0.000 1.103 106 T CB 0.049 68.938 68.868 0.036 0.000 0.921 106 T HN 0.802 nan 8.240 nan 0.000 0.510 107 E N -0.709 119.517 120.200 0.043 0.000 2.403 107 E HA 0.493 4.843 4.350 -0.000 0.000 0.280 107 E C -2.237 174.364 176.600 0.002 0.000 1.101 107 E CA -0.994 55.411 56.400 0.009 0.000 0.856 107 E CB 1.325 31.031 29.700 0.011 0.000 1.303 107 E HN 0.011 nan 8.360 nan 0.000 0.441 108 V N 0.751 120.608 119.914 -0.095 0.000 2.808 108 V HA 0.264 4.384 4.120 -0.000 0.000 0.308 108 V C -0.772 175.231 176.094 -0.153 0.000 1.099 108 V CA -0.858 61.297 62.300 -0.242 0.000 0.920 108 V CB 1.786 33.277 31.823 -0.554 0.000 1.014 108 V HN 0.749 nan 8.190 nan 0.000 0.425 109 E N 5.565 125.723 120.200 -0.069 0.000 2.105 109 E HA 0.558 4.908 4.350 -0.000 0.000 0.285 109 E C -1.132 175.415 176.600 -0.089 0.000 1.055 109 E CA -0.445 55.930 56.400 -0.041 0.000 0.843 109 E CB 1.066 30.783 29.700 0.027 0.000 1.067 109 E HN 0.439 nan 8.360 nan 0.000 0.398 110 I N 3.692 124.194 120.570 -0.114 0.000 2.466 110 I HA 0.369 4.538 4.170 -0.000 0.000 0.289 110 I C -0.701 175.338 176.117 -0.130 0.000 1.026 110 I CA -0.957 60.259 61.300 -0.140 0.000 1.078 110 I CB 0.722 38.619 38.000 -0.173 0.000 1.249 110 I HN 0.737 nan 8.210 nan 0.000 0.429 111 N N 2.580 121.193 118.700 -0.145 0.000 2.934 111 N HA 0.235 4.975 4.740 -0.000 0.000 0.253 111 N C 0.116 175.501 175.510 -0.209 0.000 1.466 111 N CA -0.837 52.129 53.050 -0.141 0.000 0.858 111 N CB 1.200 39.634 38.487 -0.089 0.000 1.459 111 N HN 0.430 nan 8.380 nan 0.000 0.532 112 E N -0.750 119.332 120.200 -0.198 0.000 2.204 112 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 112 E C 0.545 177.009 176.600 -0.227 0.000 0.990 112 E CA 1.151 57.390 56.400 -0.268 0.000 0.821 112 E CB -0.051 29.564 29.700 -0.142 0.000 0.750 112 E HN 0.449 nan 8.360 nan 0.000 0.477 113 N N 0.621 119.241 118.700 -0.135 0.000 2.106 113 N HA -0.149 4.591 4.740 -0.000 0.000 0.188 113 N C 1.608 177.057 175.510 -0.102 0.000 1.029 113 N CA 0.754 53.752 53.050 -0.087 0.000 0.848 113 N CB -0.221 38.236 38.487 -0.049 0.000 1.007 113 N HN 0.166 nan 8.380 nan 0.000 0.423 114 E N 1.339 121.469 120.200 -0.117 0.000 2.033 114 E HA -0.147 4.203 4.350 -0.000 0.000 0.199 114 E C 2.269 178.781 176.600 -0.146 0.000 1.011 114 E CA 0.789 57.126 56.400 -0.104 0.000 0.815 114 E CB -0.421 29.215 29.700 -0.107 0.000 0.755 114 E HN 0.332 nan 8.360 nan 0.000 0.451 115 L N 0.864 121.911 121.223 -0.293 0.000 2.012 115 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 115 L C 2.553 179.264 176.870 -0.264 0.000 1.073 115 L CA 1.307 55.898 54.840 -0.416 0.000 0.748 115 L CB -0.626 40.720 42.059 -1.187 0.000 0.891 115 L HN -0.003 nan 8.230 nan 0.000 0.431 116 K N 0.175 120.409 120.400 -0.277 0.000 2.152 116 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 116 K C 2.203 178.827 176.600 0.041 0.000 1.048 116 K CA 1.338 57.616 56.287 -0.015 0.000 0.933 116 K CB -0.305 32.192 32.500 -0.004 0.000 0.721 116 K HN 0.307 nan 8.250 nan 0.000 0.447 117 R N 0.897 121.397 120.500 0.001 0.000 2.090 117 R HA 0.010 4.350 4.340 -0.000 0.000 0.228 117 R C 2.389 178.741 176.300 0.086 0.000 1.110 117 R CA 0.602 56.724 56.100 0.035 0.000 0.973 117 R CB -0.120 30.212 30.300 0.053 0.000 0.869 117 R HN 0.059 nan 8.270 nan 0.000 0.440 118 L N 0.728 121.990 121.223 0.064 0.000 2.083 118 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 118 L C 2.151 179.082 176.870 0.103 0.000 1.083 118 L CA 1.165 56.021 54.840 0.027 0.000 0.752 118 L CB -0.494 41.421 42.059 -0.240 0.000 0.899 118 L HN 0.283 nan 8.230 nan 0.000 0.433 119 D N 0.241 120.761 120.400 0.199 0.000 2.265 119 D HA -0.191 4.448 4.640 -0.000 0.000 0.208 119 D C 1.911 178.311 176.300 0.166 0.000 0.977 119 D CA 1.019 55.232 54.000 0.355 0.000 0.871 119 D CB 0.182 41.273 40.800 0.485 0.000 0.925 119 D HN 0.473 nan 8.370 nan 0.000 0.485 120 E N -1.029 119.153 120.200 -0.029 0.000 2.150 120 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 120 E C 1.641 178.038 176.600 -0.340 0.000 0.985 120 E CA 0.722 56.964 56.400 -0.263 0.000 0.814 120 E CB 0.004 29.385 29.700 -0.532 0.000 0.752 120 E HN 0.462 nan 8.360 nan 0.000 0.466 121 Y N 0.586 120.966 120.300 0.132 0.000 2.347 121 Y HA 0.216 4.766 4.550 -0.000 0.000 0.294 121 Y C 1.251 177.357 175.900 0.343 0.000 1.117 121 Y CA -0.007 58.197 58.100 0.173 0.000 1.184 121 Y CB -0.334 38.166 38.460 0.068 0.000 1.047 121 Y HN -0.128 nan 8.280 nan 0.000 0.546 122 A N 1.442 124.611 122.820 0.582 0.000 2.555 122 A HA -0.065 4.255 4.320 -0.000 0.000 0.233 122 A C 0.340 178.063 177.584 0.232 0.000 1.060 122 A CA -0.031 52.221 52.037 0.357 0.000 0.759 122 A CB -0.239 18.935 19.000 0.290 0.000 0.995 122 A HN 0.380 nan 8.150 nan 0.000 0.506 123 N N 1.275 120.072 118.700 0.162 0.000 2.482 123 N HA 0.076 4.816 4.740 -0.000 0.000 0.242 123 N C 0.848 176.458 175.510 0.166 0.000 1.100 123 N CA -0.288 52.862 53.050 0.165 0.000 0.946 123 N CB 0.532 39.118 38.487 0.165 0.000 1.227 123 N HN 0.475 nan 8.380 nan 0.000 0.508 124 K N 2.145 122.632 120.400 0.146 0.000 2.127 124 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 124 K C 0.615 177.296 176.600 0.134 0.000 1.047 124 K CA 1.354 57.719 56.287 0.129 0.000 0.927 124 K CB -0.032 32.525 32.500 0.095 0.000 0.716 124 K HN 0.576 nan 8.250 nan 0.000 0.450 125 D N 0.357 120.840 120.400 0.138 0.000 2.078 125 D HA -0.101 4.539 4.640 -0.000 0.000 0.193 125 D C 1.884 178.316 176.300 0.220 0.000 0.990 125 D CA 1.665 55.757 54.000 0.154 0.000 0.827 125 D CB -0.377 40.509 40.800 0.144 0.000 0.975 125 D HN 0.149 nan 8.370 nan 0.000 0.451 126 A N 0.754 123.729 122.820 0.260 0.000 1.903 126 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 126 A C 2.191 180.035 177.584 0.434 0.000 1.191 126 A CA 1.344 53.606 52.037 0.377 0.000 0.638 126 A CB -0.916 18.293 19.000 0.347 0.000 0.823 126 A HN 0.219 nan 8.150 nan 0.000 0.451 127 L N 0.223 121.656 121.223 0.350 0.000 2.046 127 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 127 L C 1.985 179.007 176.870 0.254 0.000 1.077 127 L CA 2.343 57.388 54.840 0.342 0.000 0.747 127 L CB -0.900 41.275 42.059 0.193 0.000 0.896 127 L HN 0.535 nan 8.230 nan 0.000 0.432 128 N N -2.468 116.323 118.700 0.152 0.000 2.171 128 N HA -0.194 4.546 4.740 -0.000 0.000 0.184 128 N C 1.881 177.380 175.510 -0.017 0.000 1.021 128 N CA 0.698 53.783 53.050 0.059 0.000 0.854 128 N CB -0.216 38.291 38.487 0.032 0.000 0.994 128 N HN 0.385 nan 8.380 nan 0.000 0.426 129 H N 0.014 119.003 119.070 -0.135 0.000 2.353 129 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 129 H C 1.423 176.387 175.328 -0.606 0.000 1.090 129 H CA 1.654 57.437 56.048 -0.441 0.000 1.327 129 H CB -0.036 29.348 29.762 -0.630 0.000 1.383 129 H HN 0.292 nan 8.280 nan 0.000 0.508 130 Y N 1.040 121.184 120.300 -0.260 0.000 2.145 130 Y HA -0.210 4.340 4.550 -0.000 0.000 0.286 130 Y C 3.077 178.484 175.900 -0.822 0.000 1.145 130 Y CA 1.847 59.576 58.100 -0.618 0.000 1.148 130 Y CB -0.464 37.733 38.460 -0.438 0.000 0.981 130 Y HN 0.171 nan 8.280 nan 0.000 0.507 131 R N 0.728 121.177 120.500 -0.085 0.000 2.103 131 R HA -0.204 4.136 4.340 -0.000 0.000 0.242 131 R C 1.928 178.133 176.300 -0.157 0.000 1.142 131 R CA 2.116 58.237 56.100 0.034 0.000 0.960 131 R CB -0.300 30.088 30.300 0.147 0.000 0.858 131 R HN 0.416 nan 8.270 nan 0.000 0.439 132 E N 0.289 120.322 120.200 -0.279 0.000 2.051 132 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 132 E C 2.115 178.501 176.600 -0.356 0.000 0.991 132 E CA 1.698 57.917 56.400 -0.302 0.000 0.799 132 E CB -0.169 29.284 29.700 -0.411 0.000 0.748 132 E HN 0.432 nan 8.360 nan 0.000 0.449 133 I N 0.667 120.841 120.570 -0.661 0.000 2.099 133 I HA -0.273 3.897 4.170 -0.000 0.000 0.239 133 I C 2.096 178.120 176.117 -0.155 0.000 1.066 133 I CA 1.111 62.027 61.300 -0.640 0.000 1.324 133 I CB -0.329 37.163 38.000 -0.847 0.000 1.037 133 I HN 0.058 nan 8.210 nan 0.000 0.401 134 F N 1.127 120.929 119.950 -0.246 0.000 2.408 134 F HA -0.129 4.398 4.527 -0.000 0.000 0.300 134 F C 2.368 177.998 175.800 -0.282 0.000 1.090 134 F CA 0.817 58.599 58.000 -0.364 0.000 1.427 134 F CB -1.247 37.589 39.000 -0.274 0.000 1.070 134 F HN 0.054 nan 8.300 nan 0.000 0.549 135 K N 0.371 120.758 120.400 -0.023 0.000 1.991 135 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 135 K C 2.126 178.678 176.600 -0.079 0.000 1.045 135 K CA 1.386 57.652 56.287 -0.035 0.000 0.937 135 K CB -0.397 32.081 32.500 -0.037 0.000 0.720 135 K HN 0.101 nan 8.250 nan 0.000 0.438 136 D N 1.056 121.404 120.400 -0.087 0.000 2.158 136 D HA -0.208 4.432 4.640 -0.000 0.000 0.197 136 D C 2.052 178.201 176.300 -0.252 0.000 0.995 136 D CA 1.081 55.020 54.000 -0.101 0.000 0.846 136 D CB 0.093 40.907 40.800 0.024 0.000 0.941 136 D HN 0.138 nan 8.370 nan 0.000 0.456 137 L N 1.254 122.237 121.223 -0.399 0.000 1.994 137 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 137 L C 2.367 179.100 176.870 -0.229 0.000 1.071 137 L CA 1.674 56.229 54.840 -0.475 0.000 0.745 137 L CB -0.449 41.327 42.059 -0.472 0.000 0.892 137 L HN -0.187 nan 8.230 nan 0.000 0.431 138 K N 0.054 120.339 120.400 -0.192 0.000 2.152 138 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 138 K C 2.287 178.859 176.600 -0.048 0.000 1.048 138 K CA 1.515 57.744 56.287 -0.096 0.000 0.933 138 K CB -0.466 31.998 32.500 -0.059 0.000 0.721 138 K HN 0.701 nan 8.250 nan 0.000 0.447 139 S N 1.271 116.939 115.700 -0.054 0.000 2.356 139 S HA -0.118 4.352 4.470 -0.000 0.000 0.223 139 S C 1.869 176.464 174.600 -0.008 0.000 1.032 139 S CA 0.547 58.732 58.200 -0.025 0.000 1.005 139 S CB -0.258 62.926 63.200 -0.027 0.000 0.867 139 S HN 0.186 nan 8.310 nan 0.000 0.449 140 R N 1.806 122.299 120.500 -0.011 0.000 2.211 140 R HA -0.008 4.332 4.340 -0.000 0.000 0.240 140 R C 1.858 178.185 176.300 0.045 0.000 1.144 140 R CA 0.999 57.116 56.100 0.028 0.000 0.992 140 R CB -1.603 28.730 30.300 0.056 0.000 0.869 140 R HN 0.846 nan 8.270 nan 0.000 0.462 141 G N 0.047 108.868 108.800 0.035 0.000 2.138 141 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.193 141 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.193 141 G C -0.167 174.781 174.900 0.081 0.000 0.998 141 G CA -0.339 44.793 45.100 0.054 0.000 0.668 141 G HN 0.163 nan 8.290 nan 0.000 0.516 142 L N 0.370 121.640 121.223 0.078 0.000 2.326 142 L HA 0.580 4.920 4.340 -0.000 0.000 0.278 142 L C 0.817 177.765 176.870 0.131 0.000 1.092 142 L CA -1.369 53.539 54.840 0.114 0.000 0.810 142 L CB 0.723 42.852 42.059 0.117 0.000 1.153 142 L HN 0.206 nan 8.230 nan 0.000 0.439 143 Y N 3.024 123.329 120.300 0.009 0.000 2.411 143 Y HA 0.220 4.769 4.550 -0.000 0.000 0.333 143 Y C -0.621 175.290 175.900 0.019 0.000 1.186 143 Y CA 0.030 58.126 58.100 -0.006 0.000 1.381 143 Y CB 0.644 39.083 38.460 -0.034 0.000 1.273 143 Y HN 0.376 nan 8.280 nan 0.000 0.546 144 F N 7.411 127.110 119.950 -0.420 0.000 2.507 144 F HA 0.535 5.062 4.527 -0.000 0.000 0.328 144 F C -1.502 173.988 175.800 -0.516 0.000 1.136 144 F CA -1.909 55.843 58.000 -0.414 0.000 0.930 144 F CB 0.459 39.227 39.000 -0.387 0.000 1.166 144 F HN 0.333 nan 8.300 nan 0.000 0.436 145 I N 5.021 125.321 120.570 -0.450 0.000 2.392 145 I HA 0.352 4.522 4.170 -0.000 0.000 0.295 145 I C -0.775 174.864 176.117 -0.798 0.000 0.985 145 I CA -0.809 60.147 61.300 -0.575 0.000 1.221 145 I CB 1.959 39.751 38.000 -0.346 0.000 1.366 145 I HN 0.596 nan 8.210 nan 0.000 0.467 146 Q N 5.342 124.683 119.800 -0.765 0.000 2.331 146 Q HA 0.356 4.695 4.340 -0.000 0.000 0.267 146 Q C -1.161 174.749 176.000 -0.150 0.000 1.006 146 Q CA -0.675 54.727 55.803 -0.667 0.000 0.818 146 Q CB 1.589 29.788 28.738 -0.899 0.000 1.276 146 Q HN 0.573 nan 8.270 nan 0.000 0.450 147 N N 3.996 122.673 118.700 -0.038 0.000 2.419 147 N HA 0.220 4.960 4.740 -0.000 0.000 0.277 147 N C 0.364 176.011 175.510 0.228 0.000 1.006 147 N CA -0.350 52.781 53.050 0.136 0.000 0.923 147 N CB 0.870 39.464 38.487 0.178 0.000 1.140 147 N HN 0.723 nan 8.380 nan 0.000 0.488 148 M N 1.618 121.409 119.600 0.318 0.000 2.193 148 M HA 0.003 4.483 4.480 -0.000 0.000 0.265 148 M C -0.142 176.589 176.300 0.719 0.000 1.071 148 M CA 1.079 56.655 55.300 0.459 0.000 1.140 148 M CB -0.740 32.103 32.600 0.405 0.000 1.369 148 M HN 0.558 nan 8.290 nan 0.000 0.423 149 Y N 0.121 120.716 120.300 0.493 0.000 2.326 149 Y HA 0.351 4.901 4.550 -0.000 0.000 0.329 149 Y C -0.761 175.348 175.900 0.349 0.000 0.973 149 Y CA -1.452 56.919 58.100 0.452 0.000 1.162 149 Y CB 0.626 39.279 38.460 0.321 0.000 1.147 149 Y HN 0.204 nan 8.280 nan 0.000 0.456 150 H N 6.591 125.581 119.070 -0.134 0.000 2.471 150 H HA 0.246 4.802 4.556 -0.000 0.000 0.234 150 H C -0.711 174.375 175.328 -0.404 0.000 1.388 150 H CA -0.195 55.641 56.048 -0.355 0.000 1.198 150 H CB -0.024 29.657 29.762 -0.135 0.000 1.714 150 H HN 0.813 nan 8.280 nan 0.000 0.536 151 W N -2.608 118.182 121.300 -0.850 0.000 0.269 151 W HA -0.218 4.442 4.660 -0.000 0.000 0.213 151 W C -2.138 174.455 176.519 0.124 0.000 0.911 151 W CA 0.424 57.475 57.345 -0.489 0.000 0.324 151 W CB -2.673 26.441 29.460 -0.578 0.000 1.904 151 W HN 0.384 nan 8.180 nan 0.000 1.154 152 P HA 0.267 nan 4.420 nan 0.000 0.267 152 P C 0.127 177.688 177.300 0.435 0.000 1.205 152 P CA 0.695 64.060 63.100 0.441 0.000 0.765 152 P CB 0.223 32.081 31.700 0.264 0.000 0.828 153 L N 5.880 127.229 121.223 0.210 0.000 2.331 153 L HA 0.525 4.865 4.340 -0.000 0.000 0.275 153 L C -2.042 174.631 176.870 -0.329 0.000 1.022 153 L CA -2.647 52.101 54.840 -0.153 0.000 0.812 153 L CB 1.744 43.636 42.059 -0.280 0.000 1.257 153 L HN 0.193 nan 8.230 nan 0.000 0.435 154 P HA 0.072 nan 4.420 nan 0.000 0.271 154 P C 0.857 177.827 177.300 -0.549 0.000 1.218 154 P CA -0.288 62.447 63.100 -0.609 0.000 0.780 154 P CB 1.131 32.267 31.700 -0.940 0.000 0.901 155 L N 1.664 122.738 121.223 -0.248 0.000 2.051 155 L HA -0.176 4.164 4.340 -0.000 0.000 0.214 155 L C 2.402 179.216 176.870 -0.093 0.000 1.076 155 L CA 1.701 56.470 54.840 -0.119 0.000 0.758 155 L CB -0.826 41.233 42.059 0.000 0.000 0.890 155 L HN 0.607 nan 8.230 nan 0.000 0.433 156 W N -0.998 120.236 121.300 -0.111 0.000 2.632 156 W HA -0.087 4.572 4.660 -0.000 0.000 0.248 156 W C 1.281 177.713 176.519 -0.145 0.000 1.259 156 W CA 0.315 57.594 57.345 -0.110 0.000 1.288 156 W CB -0.625 28.774 29.460 -0.102 0.000 1.136 156 W HN 0.233 nan 8.180 nan 0.000 0.640 157 L N -0.706 120.214 121.223 -0.505 0.000 2.701 157 L HA 0.287 4.627 4.340 -0.000 0.000 0.238 157 L C -0.072 176.625 176.870 -0.288 0.000 1.106 157 L CA 0.352 54.885 54.840 -0.513 0.000 0.898 157 L CB 0.075 41.528 42.059 -1.010 0.000 1.188 157 L HN -0.007 nan 8.230 nan 0.000 0.508 158 H N -0.307 118.572 119.070 -0.317 0.000 3.188 158 H HA 0.096 4.651 4.556 -0.000 0.000 0.325 158 H C -1.698 173.541 175.328 -0.148 0.000 1.033 158 H CA -0.665 55.248 56.048 -0.225 0.000 1.443 158 H CB 1.489 31.088 29.762 -0.272 0.000 1.968 158 H HN -0.159 nan 8.280 nan 0.000 0.449 159 D N 7.432 127.894 120.400 0.103 0.000 2.427 159 D HA 0.133 4.773 4.640 -0.000 0.000 0.226 159 D C -1.671 174.579 176.300 -0.084 0.000 1.076 159 D CA -2.422 51.561 54.000 -0.029 0.000 0.849 159 D CB 2.072 42.877 40.800 0.009 0.000 1.052 159 D HN 0.353 nan 8.370 nan 0.000 0.515 160 P HA -0.126 nan 4.420 nan 0.000 0.217 160 P C 1.733 179.066 177.300 0.055 0.000 1.151 160 P CA 0.402 63.306 63.100 -0.327 0.000 0.828 160 P CB 0.635 32.041 31.700 -0.490 0.000 0.788 161 I N 0.319 120.951 120.570 0.102 0.000 2.179 161 I HA -0.163 4.007 4.170 -0.000 0.000 0.242 161 I C 2.831 178.972 176.117 0.040 0.000 1.088 161 I CA 1.316 62.679 61.300 0.104 0.000 1.357 161 I CB -1.522 36.504 38.000 0.043 0.000 1.051 161 I HN -0.015 nan 8.210 nan 0.000 0.409 162 R N 0.523 121.021 120.500 -0.004 0.000 2.091 162 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 162 R C 2.352 178.567 176.300 -0.141 0.000 1.136 162 R CA 1.361 57.425 56.100 -0.059 0.000 0.959 162 R CB -0.070 30.197 30.300 -0.055 0.000 0.856 162 R HN 0.194 nan 8.270 nan 0.000 0.437 163 V N 0.785 120.623 119.914 -0.126 0.000 2.548 163 V HA -0.179 3.941 4.120 -0.000 0.000 0.249 163 V C 2.474 178.502 176.094 -0.109 0.000 1.055 163 V CA 1.499 63.627 62.300 -0.286 0.000 1.065 163 V CB -0.646 31.140 31.823 -0.061 0.000 0.681 163 V HN 0.341 nan 8.190 nan 0.000 0.462 164 R N 0.898 121.454 120.500 0.093 0.000 2.096 164 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 164 R C 2.256 178.666 176.300 0.183 0.000 1.127 164 R CA 1.461 57.701 56.100 0.233 0.000 0.968 164 R CB -0.170 30.308 30.300 0.296 0.000 0.861 164 R HN 0.452 nan 8.270 nan 0.000 0.440 165 R N -0.940 119.597 120.500 0.062 0.000 2.323 165 R HA 0.033 4.373 4.340 -0.000 0.000 0.198 165 R C 1.025 177.348 176.300 0.037 0.000 0.988 165 R CA 0.611 56.735 56.100 0.039 0.000 1.041 165 R CB 0.174 30.472 30.300 -0.004 0.000 0.926 165 R HN 0.506 nan 8.270 nan 0.000 0.476 166 G N 1.631 110.413 108.800 -0.031 0.000 2.141 166 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.231 166 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.231 166 G C -0.524 174.094 174.900 -0.469 0.000 0.984 166 G CA 0.077 45.113 45.100 -0.107 0.000 0.660 166 G HN 0.376 nan 8.290 nan 0.000 0.525 167 D N -0.067 120.012 120.400 -0.534 0.000 2.396 167 D HA 0.539 5.179 4.640 -0.000 0.000 0.225 167 D C 0.591 176.538 176.300 -0.589 0.000 1.121 167 D CA -0.871 52.899 54.000 -0.383 0.000 0.853 167 D CB -0.128 40.561 40.800 -0.185 0.000 1.043 167 D HN 0.067 nan 8.370 nan 0.000 0.500 168 F N 1.398 121.309 119.950 -0.066 0.000 2.660 168 F HA 0.110 4.637 4.527 -0.000 0.000 0.297 168 F C 1.801 177.571 175.800 -0.049 0.000 1.132 168 F CA -0.212 57.741 58.000 -0.078 0.000 1.372 168 F CB 0.220 39.150 39.000 -0.118 0.000 1.003 168 F HN 0.287 nan 8.300 nan 0.000 0.524 169 T N -2.215 112.363 114.554 0.041 0.000 3.260 169 T HA 0.642 4.992 4.350 -0.000 0.000 0.254 169 T C 0.517 175.225 174.700 0.014 0.000 0.951 169 T CA -0.160 61.960 62.100 0.034 0.000 0.918 169 T CB -0.137 68.743 68.868 0.019 0.000 1.098 169 T HN 0.222 nan 8.240 nan 0.000 0.563 170 G N 1.206 110.013 108.800 0.012 0.000 2.827 170 G HA2 0.666 4.625 3.960 -0.000 0.000 0.296 170 G HA3 0.666 4.625 3.960 -0.000 0.000 0.296 170 G C -3.183 171.726 174.900 0.015 0.000 1.362 170 G CA -1.628 43.477 45.100 0.009 0.000 0.809 170 G HN 0.098 nan 8.290 nan 0.000 0.522 171 P HA 0.204 nan 4.420 nan 0.000 0.265 171 P C 0.155 177.446 177.300 -0.014 0.000 1.222 171 P CA 0.034 63.131 63.100 -0.004 0.000 0.767 171 P CB 0.987 32.692 31.700 0.008 0.000 0.801 172 S N 1.947 117.595 115.700 -0.086 0.000 2.581 172 S HA 0.485 4.955 4.470 -0.000 0.000 0.245 172 S C 1.124 175.443 174.600 -0.468 0.000 1.115 172 S CA -0.148 57.952 58.200 -0.166 0.000 1.093 172 S CB -0.592 62.606 63.200 -0.003 0.000 0.853 172 S HN 0.670 nan 8.310 nan 0.000 0.479 173 G N 2.184 110.586 108.800 -0.664 0.000 2.652 173 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.318 173 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.318 173 G C 0.371 174.911 174.900 -0.601 0.000 1.295 173 G CA 0.613 45.215 45.100 -0.830 0.000 0.999 173 G HN 0.637 nan 8.290 nan 0.000 0.548 174 W N 0.859 122.054 121.300 -0.175 0.000 2.747 174 W HA 0.306 4.966 4.660 -0.000 0.000 0.244 174 W C 2.450 178.934 176.519 -0.058 0.000 1.270 174 W CA 0.346 57.652 57.345 -0.066 0.000 1.333 174 W CB -0.266 29.195 29.460 0.003 0.000 1.139 174 W HN 0.284 nan 8.180 nan 0.000 0.662 175 L N -0.450 120.785 121.223 0.019 0.000 2.341 175 L HA 0.025 4.365 4.340 -0.000 0.000 0.214 175 L C 1.563 178.439 176.870 0.010 0.000 1.115 175 L CA 0.403 55.235 54.840 -0.013 0.000 0.820 175 L CB -0.432 41.592 42.059 -0.059 0.000 0.944 175 L HN -0.229 nan 8.230 nan 0.000 0.452 176 S N -0.800 114.898 115.700 -0.004 0.000 2.508 176 S HA 0.148 4.618 4.470 -0.000 0.000 0.284 176 S C 1.238 175.901 174.600 0.106 0.000 1.192 176 S CA -0.321 57.900 58.200 0.035 0.000 1.070 176 S CB 1.375 64.575 63.200 -0.001 0.000 1.004 176 S HN 0.311 nan 8.310 nan 0.000 0.493 177 T N 2.539 117.208 114.554 0.193 0.000 3.072 177 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 177 T C 1.724 176.646 174.700 0.370 0.000 1.127 177 T CA 0.573 62.857 62.100 0.305 0.000 1.107 177 T CB -0.253 68.837 68.868 0.369 0.000 0.910 177 T HN 0.593 nan 8.240 nan 0.000 0.513 178 R N 2.130 122.833 120.500 0.338 0.000 2.083 178 R HA -0.067 4.273 4.340 -0.000 0.000 0.237 178 R C 2.275 178.601 176.300 0.043 0.000 1.137 178 R CA 2.293 58.507 56.100 0.191 0.000 0.951 178 R CB -1.530 28.881 30.300 0.184 0.000 0.851 178 R HN 0.413 nan 8.270 nan 0.000 0.434 179 T N 0.102 114.644 114.554 -0.021 0.000 2.759 179 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 179 T C 1.839 176.570 174.700 0.052 0.000 1.042 179 T CA 1.582 63.589 62.100 -0.154 0.000 1.140 179 T CB -0.375 68.161 68.868 -0.553 0.000 0.864 179 T HN 0.048 nan 8.240 nan 0.000 0.455 180 V N 0.154 120.167 119.914 0.166 0.000 2.295 180 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 180 V C 2.005 178.224 176.094 0.209 0.000 1.049 180 V CA 1.546 64.026 62.300 0.301 0.000 1.024 180 V CB -0.729 31.265 31.823 0.285 0.000 0.648 180 V HN 0.455 nan 8.190 nan 0.000 0.447 181 Y N 1.170 121.440 120.300 -0.051 0.000 2.114 181 Y HA -0.214 4.336 4.550 -0.000 0.000 0.284 181 Y C 2.725 178.571 175.900 -0.090 0.000 1.143 181 Y CA 2.031 60.002 58.100 -0.213 0.000 1.135 181 Y CB -0.045 37.959 38.460 -0.760 0.000 0.980 181 Y HN 0.250 nan 8.280 nan 0.000 0.499 182 E N -0.668 119.644 120.200 0.187 0.000 2.204 182 E HA -0.212 4.137 4.350 -0.000 0.000 0.194 182 E C 2.047 178.812 176.600 0.274 0.000 0.989 182 E CA 0.999 57.563 56.400 0.274 0.000 0.824 182 E CB -0.679 29.267 29.700 0.410 0.000 0.756 182 E HN 0.513 nan 8.360 nan 0.000 0.477 183 F N 1.933 121.980 119.950 0.160 0.000 2.113 183 F HA -0.108 4.419 4.527 -0.000 0.000 0.297 183 F C 2.310 178.082 175.800 -0.048 0.000 1.103 183 F CA 1.256 59.227 58.000 -0.049 0.000 1.248 183 F CB -0.502 38.583 39.000 0.141 0.000 0.999 183 F HN -0.034 nan 8.300 nan 0.000 0.475 184 A N 0.498 123.181 122.820 -0.227 0.000 1.908 184 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 184 A C 2.370 179.760 177.584 -0.324 0.000 1.181 184 A CA 1.886 53.722 52.037 -0.335 0.000 0.627 184 A CB -0.763 18.075 19.000 -0.270 0.000 0.818 184 A HN 0.450 nan 8.150 nan 0.000 0.445 185 R N -2.160 118.194 120.500 -0.243 0.000 2.115 185 R HA -0.061 4.278 4.340 -0.000 0.000 0.230 185 R C 1.952 178.219 176.300 -0.055 0.000 1.111 185 R CA 1.431 57.437 56.100 -0.157 0.000 0.976 185 R CB -0.392 29.847 30.300 -0.102 0.000 0.870 185 R HN 0.629 nan 8.270 nan 0.000 0.445 186 F N 1.174 120.976 119.950 -0.247 0.000 2.113 186 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 186 F C 2.127 177.794 175.800 -0.222 0.000 1.103 186 F CA 1.435 59.319 58.000 -0.193 0.000 1.248 186 F CB -0.370 38.240 39.000 -0.650 0.000 0.999 186 F HN -0.149 nan 8.300 nan 0.000 0.475 187 S N 0.875 116.254 115.700 -0.535 0.000 2.359 187 S HA -0.290 4.180 4.470 -0.000 0.000 0.222 187 S C 2.343 176.692 174.600 -0.418 0.000 1.038 187 S CA 1.592 59.438 58.200 -0.590 0.000 1.051 187 S CB -1.184 61.639 63.200 -0.629 0.000 0.944 187 S HN 0.576 nan 8.310 nan 0.000 0.433 188 A N 0.366 123.008 122.820 -0.297 0.000 1.908 188 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 188 A C 1.986 179.555 177.584 -0.024 0.000 1.181 188 A CA 1.851 53.776 52.037 -0.186 0.000 0.627 188 A CB -1.004 17.891 19.000 -0.175 0.000 0.818 188 A HN 0.611 nan 8.150 nan 0.000 0.445 189 Y N 0.925 121.168 120.300 -0.094 0.000 2.145 189 Y HA -0.183 4.367 4.550 -0.000 0.000 0.286 189 Y C 2.673 178.637 175.900 0.107 0.000 1.145 189 Y CA 2.351 60.518 58.100 0.112 0.000 1.148 189 Y CB -0.741 37.846 38.460 0.212 0.000 0.981 189 Y HN 0.282 nan 8.280 nan 0.000 0.507 190 T N 0.687 115.172 114.554 -0.116 0.000 2.746 190 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 190 T C 2.093 176.782 174.700 -0.018 0.000 1.039 190 T CA 1.402 63.420 62.100 -0.135 0.000 1.142 190 T CB -0.754 67.948 68.868 -0.277 0.000 0.866 190 T HN 0.511 nan 8.240 nan 0.000 0.444 191 A N 0.677 123.426 122.820 -0.118 0.000 1.865 191 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 191 A C 2.038 179.631 177.584 0.015 0.000 1.191 191 A CA 1.850 53.819 52.037 -0.115 0.000 0.623 191 A CB -1.322 17.426 19.000 -0.421 0.000 0.826 191 A HN 0.708 nan 8.150 nan 0.000 0.444 192 W N 1.066 122.242 121.300 -0.206 0.000 2.325 192 W HA -0.185 4.475 4.660 -0.000 0.000 0.299 192 W C 1.723 178.084 176.519 -0.264 0.000 1.215 192 W CA 2.212 59.437 57.345 -0.201 0.000 1.244 192 W CB 0.057 29.403 29.460 -0.191 0.000 1.140 192 W HN 0.263 nan 8.180 nan 0.000 0.523 193 K N -1.514 118.573 120.400 -0.522 0.000 2.393 193 K HA 0.054 4.373 4.320 -0.000 0.000 0.193 193 K C 0.659 176.812 176.600 -0.745 0.000 1.026 193 K CA 0.346 56.111 56.287 -0.870 0.000 1.064 193 K CB -0.103 31.724 32.500 -1.121 0.000 0.833 193 K HN 0.151 nan 8.250 nan 0.000 0.521 194 F N -0.138 119.740 119.950 -0.119 0.000 2.798 194 F HA 0.110 4.636 4.527 -0.000 0.000 0.328 194 F C 1.278 177.097 175.800 0.032 0.000 1.098 194 F CA -0.720 57.283 58.000 0.006 0.000 1.172 194 F CB 0.304 39.380 39.000 0.127 0.000 1.072 194 F HN -0.101 nan 8.300 nan 0.000 0.555 195 D N 1.212 121.713 120.400 0.169 0.000 2.292 195 D HA -0.227 4.413 4.640 -0.000 0.000 0.205 195 D C 1.831 178.172 176.300 0.067 0.000 0.994 195 D CA 1.917 56.007 54.000 0.150 0.000 0.897 195 D CB 0.053 40.921 40.800 0.115 0.000 0.907 195 D HN 0.369 nan 8.370 nan 0.000 0.467 196 D N -0.592 119.839 120.400 0.052 0.000 2.277 196 D HA -0.122 4.518 4.640 -0.000 0.000 0.208 196 D C 1.986 178.321 176.300 0.058 0.000 0.962 196 D CA 0.493 54.512 54.000 0.032 0.000 0.865 196 D CB -0.321 40.482 40.800 0.004 0.000 0.939 196 D HN 0.370 nan 8.370 nan 0.000 0.510 197 L N 0.244 121.543 121.223 0.127 0.000 2.425 197 L HA 0.163 4.503 4.340 -0.000 0.000 0.215 197 L C 0.926 177.876 176.870 0.134 0.000 1.065 197 L CA -0.057 54.884 54.840 0.168 0.000 0.842 197 L CB 0.364 42.611 42.059 0.312 0.000 1.033 197 L HN -0.179 nan 8.230 nan 0.000 0.474 198 V N 0.638 120.541 119.914 -0.019 0.000 3.051 198 V HA -0.030 4.090 4.120 -0.000 0.000 0.306 198 V C 0.638 176.476 176.094 -0.426 0.000 1.083 198 V CA 0.393 62.458 62.300 -0.391 0.000 1.104 198 V CB 1.484 32.892 31.823 -0.693 0.000 1.027 198 V HN 0.230 nan 8.190 nan 0.000 0.483 199 D N 0.242 120.265 120.400 -0.629 0.000 2.626 199 D HA 0.204 4.844 4.640 -0.000 0.000 0.274 199 D C 0.351 176.309 176.300 -0.570 0.000 1.045 199 D CA 0.387 53.998 54.000 -0.647 0.000 0.925 199 D CB 1.100 41.182 40.800 -1.196 0.000 1.260 199 D HN 0.663 nan 8.370 nan 0.000 0.490 200 E N -0.370 119.452 120.200 -0.631 0.000 2.408 200 E HA 0.380 4.730 4.350 -0.000 0.000 0.275 200 E C -1.425 174.945 176.600 -0.383 0.000 0.935 200 E CA -0.654 55.567 56.400 -0.298 0.000 0.775 200 E CB 2.362 31.991 29.700 -0.119 0.000 1.277 200 E HN -0.081 nan 8.360 nan 0.000 0.455 201 Y N 0.167 120.573 120.300 0.178 0.000 2.429 201 Y HA 0.388 4.938 4.550 -0.000 0.000 0.342 201 Y C 0.069 176.061 175.900 0.153 0.000 1.004 201 Y CA -0.587 57.565 58.100 0.088 0.000 1.075 201 Y CB 2.392 40.849 38.460 -0.006 0.000 1.214 201 Y HN 0.301 nan 8.280 nan 0.000 0.455 202 S N 0.566 116.424 115.700 0.263 0.000 2.532 202 S HA 0.338 4.808 4.470 -0.000 0.000 0.299 202 S C 0.670 175.376 174.600 0.178 0.000 1.105 202 S CA -0.123 58.139 58.200 0.103 0.000 1.018 202 S CB 0.803 64.063 63.200 0.100 0.000 1.021 202 S HN 0.833 nan 8.310 nan 0.000 0.483 203 T N 2.780 117.454 114.554 0.200 0.000 2.698 203 T HA 0.152 4.502 4.350 -0.000 0.000 0.260 203 T C 0.980 175.954 174.700 0.458 0.000 1.044 203 T CA 0.917 63.234 62.100 0.362 0.000 1.149 203 T CB -0.482 68.681 68.868 0.492 0.000 0.864 203 T HN 0.773 nan 8.240 nan 0.000 0.419 204 M N -0.018 119.769 119.600 0.312 0.000 2.618 204 M HA 0.651 5.131 4.480 -0.000 0.000 0.281 204 M C -1.794 174.571 176.300 0.108 0.000 1.267 204 M CA -1.094 54.378 55.300 0.287 0.000 0.845 204 M CB 1.964 34.759 32.600 0.324 0.000 1.732 204 M HN -0.033 nan 8.290 nan 0.000 0.461 205 N N 0.899 119.596 118.700 -0.005 0.000 2.425 205 N HA 0.243 4.983 4.740 -0.000 0.000 0.268 205 N C -1.201 174.264 175.510 -0.076 0.000 0.991 205 N CA 0.182 53.126 53.050 -0.177 0.000 0.931 205 N CB 0.806 38.883 38.487 -0.684 0.000 1.130 205 N HN 0.817 nan 8.380 nan 0.000 0.493 206 E N 2.130 122.309 120.200 -0.035 0.000 2.246 206 E HA -0.183 4.167 4.350 -0.000 0.000 0.173 206 E C -1.745 174.843 176.600 -0.019 0.000 1.532 206 E CA 0.082 56.460 56.400 -0.037 0.000 0.672 206 E CB -0.438 29.291 29.700 0.049 0.000 1.078 206 E HN 0.667 nan 8.360 nan 0.000 0.338 207 P HA -0.226 nan 4.420 nan 0.000 0.218 207 P C 1.037 178.242 177.300 -0.158 0.000 1.149 207 P CA 1.543 64.585 63.100 -0.097 0.000 0.817 207 P CB 0.057 31.720 31.700 -0.062 0.000 0.785 208 N N 0.495 119.046 118.700 -0.247 0.000 2.289 208 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 208 N C 1.577 176.957 175.510 -0.216 0.000 1.016 208 N CA 1.008 53.931 53.050 -0.212 0.000 0.872 208 N CB -1.662 36.597 38.487 -0.380 0.000 0.973 208 N HN 0.073 nan 8.380 nan 0.000 0.433 209 V N 0.498 120.248 119.914 -0.273 0.000 2.591 209 V HA -0.074 4.046 4.120 -0.000 0.000 0.249 209 V C 2.539 178.406 176.094 -0.379 0.000 1.053 209 V CA 0.697 62.805 62.300 -0.320 0.000 1.068 209 V CB -0.214 31.446 31.823 -0.272 0.000 0.689 209 V HN 0.113 nan 8.190 nan 0.000 0.462 210 V N 1.034 120.694 119.914 -0.422 0.000 2.270 210 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 210 V C 2.648 178.671 176.094 -0.119 0.000 1.043 210 V CA 2.316 64.395 62.300 -0.369 0.000 1.014 210 V CB -1.356 30.288 31.823 -0.298 0.000 0.645 210 V HN 0.584 nan 8.190 nan 0.000 0.447 211 G N -0.260 108.523 108.800 -0.027 0.000 2.402 211 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.216 211 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.216 211 G C 1.593 176.575 174.900 0.137 0.000 1.162 211 G CA 0.948 46.141 45.100 0.156 0.000 0.777 211 G HN 0.586 nan 8.290 nan 0.000 0.539 212 G N 0.735 109.532 108.800 -0.006 0.000 2.404 212 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.214 212 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.214 212 G C 1.725 176.565 174.900 -0.100 0.000 1.189 212 G CA 0.540 45.615 45.100 -0.042 0.000 0.789 212 G HN 0.381 nan 8.290 nan 0.000 0.533 213 L N 0.788 121.880 121.223 -0.218 0.000 2.313 213 L HA 0.121 4.461 4.340 -0.000 0.000 0.214 213 L C 2.997 179.735 176.870 -0.220 0.000 1.119 213 L CA 0.731 55.389 54.840 -0.303 0.000 0.809 213 L CB -0.413 41.247 42.059 -0.665 0.000 0.933 213 L HN 0.345 nan 8.230 nan 0.000 0.449 214 G N -0.937 107.719 108.800 -0.239 0.000 2.430 214 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 214 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 214 G C 1.057 175.621 174.900 -0.560 0.000 1.146 214 G CA 0.426 45.247 45.100 -0.465 0.000 0.793 214 G HN 0.347 nan 8.290 nan 0.000 0.537 215 Y N -1.518 118.803 120.300 0.035 0.000 2.432 215 Y HA 0.365 4.915 4.550 -0.000 0.000 0.252 215 Y C 1.956 177.914 175.900 0.098 0.000 1.097 215 Y CA -0.244 57.915 58.100 0.099 0.000 1.250 215 Y CB 0.783 39.322 38.460 0.132 0.000 1.245 215 Y HN 0.036 nan 8.280 nan 0.000 0.522 216 V N -1.654 118.357 119.914 0.162 0.000 2.950 216 V HA 0.264 4.384 4.120 -0.000 0.000 0.231 216 V C 1.638 177.770 176.094 0.064 0.000 1.205 216 V CA 0.719 63.116 62.300 0.162 0.000 1.239 216 V CB -0.507 31.416 31.823 0.167 0.000 1.050 216 V HN 0.211 nan 8.190 nan 0.000 0.498 217 G N 1.624 110.416 108.800 -0.014 0.000 3.102 217 G HA2 0.273 4.233 3.960 -0.000 0.000 0.264 217 G HA3 0.273 4.233 3.960 -0.000 0.000 0.264 217 G C 1.074 175.934 174.900 -0.066 0.000 0.788 217 G CA 0.567 45.631 45.100 -0.060 0.000 2.029 217 G HN 0.477 nan 8.290 nan 0.000 0.608 218 V N -1.072 118.832 119.914 -0.017 0.000 3.186 218 V HA -0.035 4.085 4.120 -0.000 0.000 0.270 218 V C 1.993 178.108 176.094 0.035 0.000 1.149 218 V CA 1.212 63.517 62.300 0.008 0.000 1.160 218 V CB -0.372 31.462 31.823 0.019 0.000 0.758 218 V HN 0.458 nan 8.190 nan 0.000 0.516 219 K N 1.571 121.979 120.400 0.014 0.000 2.418 219 K HA 0.049 4.369 4.320 -0.000 0.000 0.195 219 K C 2.300 178.934 176.600 0.057 0.000 1.035 219 K CA 1.099 57.408 56.287 0.037 0.000 1.003 219 K CB -0.016 32.498 32.500 0.023 0.000 0.793 219 K HN 0.760 nan 8.250 nan 0.000 0.494 220 S N 0.136 115.841 115.700 0.008 0.000 2.447 220 S HA -0.027 4.443 4.470 -0.000 0.000 0.233 220 S C 1.523 176.263 174.600 0.233 0.000 1.006 220 S CA 0.764 58.962 58.200 -0.004 0.000 0.957 220 S CB -0.262 62.736 63.200 -0.337 0.000 0.773 220 S HN 0.407 nan 8.310 nan 0.000 0.507 221 G N 0.370 109.345 108.800 0.292 0.000 2.137 221 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.237 221 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.237 221 G C -0.238 175.091 174.900 0.716 0.000 1.002 221 G CA -0.083 45.318 45.100 0.501 0.000 0.702 221 G HN 0.399 nan 8.290 nan 0.000 0.515 222 F N 1.798 121.770 119.950 0.036 0.000 2.375 222 F HA 0.521 5.048 4.527 -0.000 0.000 0.333 222 F C -1.118 174.082 175.800 -0.999 0.000 1.104 222 F CA -2.969 54.803 58.000 -0.381 0.000 1.149 222 F CB 1.192 40.024 39.000 -0.279 0.000 1.190 222 F HN -0.080 nan 8.300 nan 0.000 0.533 223 P HA 0.155 nan 4.420 nan 0.000 0.277 223 P C -2.418 174.281 177.300 -1.002 0.000 1.240 223 P CA -1.376 60.505 63.100 -2.032 0.000 0.798 223 P CB 1.321 31.769 31.700 -2.086 0.000 0.979 224 P HA 0.045 nan 4.420 nan 0.000 0.251 224 P C 0.785 177.909 177.300 -0.294 0.000 1.223 224 P CA 0.651 63.396 63.100 -0.591 0.000 0.796 224 P CB -0.065 31.600 31.700 -0.059 0.000 1.068 225 G N 0.190 108.830 108.800 -0.265 0.000 2.256 225 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.272 225 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.272 225 G C -0.688 174.304 174.900 0.154 0.000 1.076 225 G CA -0.109 45.018 45.100 0.045 0.000 0.882 225 G HN 0.477 nan 8.290 nan 0.000 0.497 226 Y N -0.053 120.284 120.300 0.062 0.000 2.334 226 Y HA 0.615 5.165 4.550 -0.000 0.000 0.336 226 Y C 0.133 176.156 175.900 0.205 0.000 0.960 226 Y CA -1.734 56.474 58.100 0.180 0.000 1.164 226 Y CB 1.163 39.807 38.460 0.307 0.000 1.155 226 Y HN 0.312 nan 8.280 nan 0.000 0.478 227 L N 6.182 127.301 121.223 -0.173 0.000 2.369 227 L HA 0.497 4.837 4.340 -0.000 0.000 0.279 227 L C -0.588 176.245 176.870 -0.061 0.000 1.108 227 L CA 0.541 55.340 54.840 -0.069 0.000 0.852 227 L CB 0.238 42.218 42.059 -0.131 0.000 1.169 227 L HN 0.608 nan 8.230 nan 0.000 0.452 228 S N 4.126 119.911 115.700 0.141 0.000 2.590 228 S HA 0.354 4.824 4.470 -0.000 0.000 0.286 228 S C 0.564 175.302 174.600 0.231 0.000 1.147 228 S CA -0.601 57.675 58.200 0.128 0.000 0.963 228 S CB 0.198 63.563 63.200 0.275 0.000 1.124 228 S HN 0.415 nan 8.310 nan 0.000 0.458 229 F N 2.782 122.741 119.950 0.015 0.000 2.113 229 F HA 0.047 4.574 4.527 -0.000 0.000 0.297 229 F C 2.462 178.234 175.800 -0.046 0.000 1.103 229 F CA 1.643 59.631 58.000 -0.019 0.000 1.248 229 F CB -0.813 38.160 39.000 -0.045 0.000 0.999 229 F HN 0.853 nan 8.300 nan 0.000 0.475 230 E N 0.664 120.954 120.200 0.151 0.000 2.023 230 E HA -0.215 4.134 4.350 -0.000 0.000 0.196 230 E C 2.285 178.854 176.600 -0.051 0.000 1.003 230 E CA 1.426 57.837 56.400 0.019 0.000 0.809 230 E CB -0.364 29.323 29.700 -0.021 0.000 0.755 230 E HN 0.345 nan 8.360 nan 0.000 0.449 231 L N 0.771 121.948 121.223 -0.077 0.000 2.187 231 L HA -0.163 4.177 4.340 -0.000 0.000 0.213 231 L C 2.761 179.428 176.870 -0.338 0.000 1.100 231 L CA 1.092 55.790 54.840 -0.237 0.000 0.765 231 L CB -0.497 41.403 42.059 -0.265 0.000 0.904 231 L HN 0.256 nan 8.230 nan 0.000 0.437 232 S N -0.037 115.589 115.700 -0.125 0.000 2.383 232 S HA -0.144 4.326 4.470 -0.000 0.000 0.227 232 S C 2.091 176.676 174.600 -0.025 0.000 1.026 232 S CA 1.062 59.246 58.200 -0.027 0.000 0.981 232 S CB 0.020 63.298 63.200 0.130 0.000 0.818 232 S HN 0.379 nan 8.310 nan 0.000 0.472 233 R N 0.379 120.854 120.500 -0.041 0.000 2.090 233 R HA 0.078 4.418 4.340 -0.000 0.000 0.228 233 R C 2.739 179.047 176.300 0.013 0.000 1.110 233 R CA 1.058 57.140 56.100 -0.030 0.000 0.973 233 R CB -0.307 29.945 30.300 -0.080 0.000 0.869 233 R HN 0.334 nan 8.270 nan 0.000 0.440 234 R N 0.767 121.233 120.500 -0.056 0.000 2.080 234 R HA -0.152 4.187 4.340 -0.000 0.000 0.236 234 R C 2.218 178.553 176.300 0.058 0.000 1.137 234 R CA 1.774 57.855 56.100 -0.030 0.000 0.943 234 R CB -0.325 29.907 30.300 -0.114 0.000 0.846 234 R HN 0.233 nan 8.270 nan 0.000 0.431 235 A N 0.708 123.513 122.820 -0.026 0.000 1.908 235 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 235 A C 2.136 179.799 177.584 0.133 0.000 1.181 235 A CA 1.520 53.612 52.037 0.090 0.000 0.627 235 A CB -0.372 18.667 19.000 0.065 0.000 0.818 235 A HN 0.259 nan 8.150 nan 0.000 0.445 236 M N -2.109 117.585 119.600 0.157 0.000 2.117 236 M HA -0.087 4.393 4.480 -0.000 0.000 0.262 236 M C 2.121 178.578 176.300 0.261 0.000 1.065 236 M CA 1.303 56.753 55.300 0.250 0.000 1.114 236 M CB -1.533 31.320 32.600 0.422 0.000 1.361 236 M HN 0.616 nan 8.290 nan 0.000 0.408 237 Y N 1.770 122.150 120.300 0.133 0.000 2.145 237 Y HA -0.253 4.297 4.550 -0.000 0.000 0.286 237 Y C 2.106 178.045 175.900 0.065 0.000 1.145 237 Y CA 1.824 59.983 58.100 0.097 0.000 1.148 237 Y CB -0.343 38.158 38.460 0.069 0.000 0.981 237 Y HN 0.305 nan 8.280 nan 0.000 0.507 238 N N 0.350 119.192 118.700 0.237 0.000 2.244 238 N HA -0.156 4.584 4.740 -0.000 0.000 0.183 238 N C 1.905 177.473 175.510 0.096 0.000 1.016 238 N CA 1.648 54.820 53.050 0.204 0.000 0.866 238 N CB -0.326 38.362 38.487 0.336 0.000 0.980 238 N HN 0.455 nan 8.380 nan 0.000 0.430 239 I N 0.624 121.157 120.570 -0.062 0.000 2.252 239 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 239 I C 1.993 177.986 176.117 -0.207 0.000 1.102 239 I CA 0.749 61.841 61.300 -0.346 0.000 1.385 239 I CB -0.179 37.545 38.000 -0.459 0.000 1.064 239 I HN 0.046 nan 8.210 nan 0.000 0.414 240 I N 0.587 121.020 120.570 -0.230 0.000 2.127 240 I HA -0.366 3.804 4.170 -0.000 0.000 0.241 240 I C 2.681 178.650 176.117 -0.247 0.000 1.075 240 I CA 1.703 62.765 61.300 -0.397 0.000 1.334 240 I CB -0.428 37.252 38.000 -0.533 0.000 1.040 240 I HN 0.326 nan 8.210 nan 0.000 0.405 241 Q N 0.344 120.002 119.800 -0.237 0.000 2.096 241 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 241 Q C 2.360 178.353 176.000 -0.011 0.000 0.982 241 Q CA 1.826 57.538 55.803 -0.151 0.000 0.850 241 Q CB -0.304 28.348 28.738 -0.143 0.000 0.901 241 Q HN 0.593 nan 8.270 nan 0.000 0.422 242 A N 0.135 123.006 122.820 0.084 0.000 2.070 242 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 242 A C 1.655 179.410 177.584 0.285 0.000 1.159 242 A CA 1.765 53.960 52.037 0.264 0.000 0.656 242 A CB -0.572 18.685 19.000 0.429 0.000 0.800 242 A HN 0.479 nan 8.150 nan 0.000 0.453 243 H N -0.250 118.853 119.070 0.054 0.000 2.294 243 H HA 0.207 4.763 4.556 -0.000 0.000 0.306 243 H C 2.192 177.537 175.328 0.028 0.000 1.065 243 H CA 1.767 57.852 56.048 0.062 0.000 1.343 243 H CB -0.461 29.248 29.762 -0.089 0.000 1.396 243 H HN 0.294 nan 8.280 nan 0.000 0.506 244 A N 0.921 123.583 122.820 -0.264 0.000 1.903 244 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 244 A C 2.425 179.911 177.584 -0.164 0.000 1.191 244 A CA 2.157 54.026 52.037 -0.281 0.000 0.638 244 A CB -0.623 18.265 19.000 -0.187 0.000 0.823 244 A HN 0.404 nan 8.150 nan 0.000 0.451 245 R N -0.407 120.030 120.500 -0.105 0.000 2.083 245 R HA -0.041 4.299 4.340 -0.000 0.000 0.237 245 R C 2.406 178.623 176.300 -0.137 0.000 1.137 245 R CA 1.719 57.760 56.100 -0.099 0.000 0.951 245 R CB -0.991 29.264 30.300 -0.076 0.000 0.851 245 R HN 0.518 nan 8.270 nan 0.000 0.434 246 A N -0.869 121.872 122.820 -0.132 0.000 1.972 246 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 246 A C 2.075 179.526 177.584 -0.221 0.000 1.169 246 A CA 1.393 53.291 52.037 -0.232 0.000 0.635 246 A CB -0.760 18.121 19.000 -0.199 0.000 0.810 246 A HN 0.509 nan 8.150 nan 0.000 0.446 247 Y N 0.980 121.065 120.300 -0.357 0.000 2.163 247 Y HA -0.209 4.341 4.550 -0.000 0.000 0.288 247 Y C 1.878 177.637 175.900 -0.234 0.000 1.136 247 Y CA 2.080 59.981 58.100 -0.332 0.000 1.147 247 Y CB -0.103 38.087 38.460 -0.451 0.000 0.987 247 Y HN 0.327 nan 8.280 nan 0.000 0.509 248 D N -0.368 120.022 120.400 -0.017 0.000 2.144 248 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 248 D C 2.319 178.512 176.300 -0.178 0.000 0.978 248 D CA 1.436 55.393 54.000 -0.071 0.000 0.833 248 D CB -0.798 39.986 40.800 -0.027 0.000 0.961 248 D HN 0.551 nan 8.370 nan 0.000 0.470 249 G N 0.852 109.526 108.800 -0.209 0.000 2.418 249 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 249 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 249 G C 1.805 176.547 174.900 -0.263 0.000 1.158 249 G CA 0.301 45.263 45.100 -0.230 0.000 0.771 249 G HN 0.267 nan 8.290 nan 0.000 0.545 250 I N 0.267 120.631 120.570 -0.343 0.000 2.252 250 I HA -0.112 4.058 4.170 -0.000 0.000 0.245 250 I C 2.688 178.606 176.117 -0.331 0.000 1.102 250 I CA 0.820 61.873 61.300 -0.411 0.000 1.385 250 I CB -0.105 37.547 38.000 -0.580 0.000 1.064 250 I HN -0.036 nan 8.210 nan 0.000 0.414 251 K N 0.779 120.966 120.400 -0.355 0.000 2.032 251 K HA -0.114 4.205 4.320 -0.000 0.000 0.209 251 K C 2.210 178.719 176.600 -0.152 0.000 1.048 251 K CA 1.331 57.462 56.287 -0.261 0.000 0.927 251 K CB -0.834 31.497 32.500 -0.282 0.000 0.712 251 K HN 0.178 nan 8.250 nan 0.000 0.441 252 S N 0.553 116.166 115.700 -0.146 0.000 2.441 252 S HA -0.110 4.360 4.470 -0.000 0.000 0.242 252 S C 1.706 176.263 174.600 -0.073 0.000 1.018 252 S CA 1.238 59.376 58.200 -0.102 0.000 0.988 252 S CB 0.009 63.137 63.200 -0.119 0.000 0.778 252 S HN 0.055 nan 8.310 nan 0.000 0.498 253 V N -0.803 119.066 119.914 -0.075 0.000 3.432 253 V HA 0.367 4.487 4.120 -0.000 0.000 0.298 253 V C 0.117 176.217 176.094 0.010 0.000 1.464 253 V CA 0.100 62.400 62.300 -0.001 0.000 1.046 253 V CB 0.906 32.752 31.823 0.038 0.000 0.887 253 V HN 0.310 nan 8.190 nan 0.000 0.441 254 S N -0.413 115.269 115.700 -0.030 0.000 2.552 254 S HA 0.412 4.882 4.470 -0.000 0.000 0.272 254 S C -0.149 174.453 174.600 0.003 0.000 1.150 254 S CA -0.618 57.590 58.200 0.013 0.000 0.849 254 S CB 1.781 65.022 63.200 0.068 0.000 1.113 254 S HN 0.023 nan 8.310 nan 0.000 0.458 255 K N 1.498 121.922 120.400 0.041 0.000 2.361 255 K HA 0.215 4.535 4.320 -0.000 0.000 0.194 255 K C 0.173 176.821 176.600 0.080 0.000 1.032 255 K CA 0.042 56.354 56.287 0.043 0.000 1.048 255 K CB -0.122 32.406 32.500 0.045 0.000 0.842 255 K HN 0.411 nan 8.250 nan 0.000 0.526 256 K N 2.200 122.671 120.400 0.120 0.000 2.455 256 K HA 0.037 4.357 4.320 -0.000 0.000 0.269 256 K C -2.379 174.347 176.600 0.209 0.000 0.972 256 K CA -1.257 55.121 56.287 0.153 0.000 0.938 256 K CB -0.609 31.984 32.500 0.156 0.000 0.931 256 K HN -0.045 nan 8.250 nan 0.000 0.507 257 P HA 0.177 nan 4.420 nan 0.000 0.274 257 P C -0.844 176.727 177.300 0.451 0.000 1.237 257 P CA -0.437 62.894 63.100 0.385 0.000 0.793 257 P CB 0.705 32.724 31.700 0.532 0.000 0.977 258 V N 1.487 121.620 119.914 0.365 0.000 2.569 258 V HA 0.731 4.851 4.120 -0.000 0.000 0.301 258 V C 0.451 176.538 176.094 -0.011 0.000 1.044 258 V CA -0.249 62.179 62.300 0.214 0.000 0.874 258 V CB 1.636 33.479 31.823 0.033 0.000 1.002 258 V HN 0.818 nan 8.190 nan 0.000 0.424 259 G N 3.276 111.715 108.800 -0.602 0.000 3.176 259 G HA2 0.879 4.839 3.960 -0.000 0.000 0.272 259 G HA3 0.879 4.839 3.960 -0.000 0.000 0.272 259 G C -1.595 172.914 174.900 -0.652 0.000 1.349 259 G CA -0.655 43.836 45.100 -1.014 0.000 0.953 259 G HN 0.651 nan 8.290 nan 0.000 0.559 260 I N -0.657 119.543 120.570 -0.617 0.000 2.769 260 I HA 0.561 4.731 4.170 -0.000 0.000 0.298 260 I C -1.169 174.819 176.117 -0.215 0.000 1.128 260 I CA -1.288 59.821 61.300 -0.319 0.000 1.031 260 I CB 2.385 40.190 38.000 -0.325 0.000 1.235 260 I HN 0.301 nan 8.210 nan 0.000 0.423 261 I N 6.606 127.138 120.570 -0.063 0.000 2.321 261 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 261 I C -1.382 174.814 176.117 0.132 0.000 0.998 261 I CA -0.498 60.838 61.300 0.061 0.000 1.227 261 I CB 1.222 39.267 38.000 0.075 0.000 1.368 261 I HN 0.434 nan 8.210 nan 0.000 0.466 262 Y N 5.395 125.710 120.300 0.025 0.000 2.446 262 Y HA 0.674 5.224 4.550 -0.000 0.000 0.345 262 Y C 0.026 175.961 175.900 0.058 0.000 0.984 262 Y CA -1.022 57.082 58.100 0.008 0.000 1.058 262 Y CB 1.863 40.419 38.460 0.160 0.000 1.220 262 Y HN 0.585 nan 8.280 nan 0.000 0.455 263 A N 5.735 128.351 122.820 -0.340 0.000 2.409 263 A HA 0.400 4.720 4.320 -0.000 0.000 0.267 263 A C -0.546 176.939 177.584 -0.165 0.000 1.127 263 A CA -0.300 51.608 52.037 -0.214 0.000 0.795 263 A CB -0.217 18.614 19.000 -0.281 0.000 1.061 263 A HN 0.822 nan 8.150 nan 0.000 0.502 264 N N 0.351 119.071 118.700 0.033 0.000 2.453 264 N HA 0.675 5.414 4.740 -0.000 0.000 0.290 264 N C -1.056 174.439 175.510 -0.025 0.000 1.250 264 N CA -0.392 52.702 53.050 0.073 0.000 0.815 264 N CB 2.112 40.754 38.487 0.258 0.000 1.381 264 N HN 0.574 nan 8.380 nan 0.000 0.510 265 S N -0.671 114.940 115.700 -0.148 0.000 2.537 265 S HA 0.333 4.803 4.470 -0.000 0.000 0.270 265 S C -1.426 172.897 174.600 -0.461 0.000 1.142 265 S CA -0.570 57.442 58.200 -0.314 0.000 0.870 265 S CB 1.283 64.199 63.200 -0.473 0.000 1.112 265 S HN 0.416 nan 8.310 nan 0.000 0.466 266 S N 3.090 118.664 115.700 -0.211 0.000 2.422 266 S HA 0.601 5.071 4.470 -0.000 0.000 0.298 266 S C -1.136 173.222 174.600 -0.404 0.000 1.118 266 S CA -0.461 57.626 58.200 -0.189 0.000 1.083 266 S CB -0.444 62.854 63.200 0.163 0.000 0.971 266 S HN 0.443 nan 8.310 nan 0.000 0.478 267 F N 4.443 124.355 119.950 -0.063 0.000 2.421 267 F HA 0.402 4.929 4.527 -0.000 0.000 0.358 267 F C 0.982 176.716 175.800 -0.109 0.000 1.115 267 F CA -0.471 57.455 58.000 -0.122 0.000 1.160 267 F CB 0.774 39.668 39.000 -0.177 0.000 1.123 267 F HN 0.380 nan 8.300 nan 0.000 0.508 268 Q N 5.416 125.212 119.800 -0.006 0.000 2.274 268 Q HA 0.387 4.727 4.340 -0.000 0.000 0.260 268 Q C -2.581 173.384 176.000 -0.058 0.000 0.974 268 Q CA -2.251 53.522 55.803 -0.050 0.000 0.876 268 Q CB 2.148 30.782 28.738 -0.174 0.000 1.297 268 Q HN 0.279 nan 8.270 nan 0.000 0.446 269 P HA 0.076 nan 4.420 nan 0.000 0.286 269 P C 0.516 177.770 177.300 -0.077 0.000 1.269 269 P CA -0.433 62.639 63.100 -0.048 0.000 0.787 269 P CB 1.154 32.843 31.700 -0.018 0.000 0.920 270 L N 3.208 124.374 121.223 -0.095 0.000 2.079 270 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 270 L C 0.532 177.372 176.870 -0.050 0.000 1.081 270 L CA 2.372 57.143 54.840 -0.116 0.000 0.752 270 L CB -0.545 41.461 42.059 -0.088 0.000 0.896 270 L HN 0.403 nan 8.230 nan 0.000 0.433 271 T N -1.834 112.706 114.554 -0.022 0.000 2.883 271 T HA 0.220 4.570 4.350 -0.000 0.000 0.296 271 T C 0.113 174.816 174.700 0.004 0.000 1.117 271 T CA -0.198 61.902 62.100 -0.000 0.000 1.006 271 T CB 1.722 70.596 68.868 0.009 0.000 1.191 271 T HN -0.081 nan 8.240 nan 0.000 0.508 272 D N 1.027 121.435 120.400 0.013 0.000 2.182 272 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 272 D C 1.665 177.973 176.300 0.014 0.000 0.986 272 D CA 1.102 55.111 54.000 0.016 0.000 0.847 272 D CB -0.102 40.710 40.800 0.019 0.000 0.942 272 D HN 0.647 nan 8.370 nan 0.000 0.467 273 K N 0.347 120.755 120.400 0.013 0.000 2.668 273 K HA 0.007 4.327 4.320 -0.000 0.000 0.204 273 K C -0.036 176.570 176.600 0.010 0.000 1.016 273 K CA 0.623 56.918 56.287 0.013 0.000 1.131 273 K CB 0.248 32.757 32.500 0.014 0.000 0.891 273 K HN -0.031 nan 8.250 nan 0.000 0.499 274 D N 0.307 120.710 120.400 0.006 0.000 2.540 274 D HA 0.087 4.727 4.640 -0.000 0.000 0.229 274 D C 1.077 177.373 176.300 -0.007 0.000 1.250 274 D CA -0.084 53.915 54.000 -0.000 0.000 0.817 274 D CB 0.442 41.237 40.800 -0.008 0.000 1.060 274 D HN 0.136 nan 8.370 nan 0.000 0.508 275 M N 0.841 120.442 119.600 0.001 0.000 2.073 275 M HA -0.175 4.305 4.480 -0.000 0.000 0.258 275 M C 2.035 178.330 176.300 -0.008 0.000 1.070 275 M CA 1.522 56.823 55.300 0.002 0.000 1.103 275 M CB -0.897 31.711 32.600 0.013 0.000 1.321 275 M HN 0.140 nan 8.290 nan 0.000 0.405 276 E N -0.167 120.032 120.200 -0.002 0.000 2.118 276 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 276 E C 1.911 178.494 176.600 -0.029 0.000 0.992 276 E CA 1.367 57.765 56.400 -0.003 0.000 0.804 276 E CB 0.088 29.796 29.700 0.013 0.000 0.741 276 E HN 0.468 nan 8.360 nan 0.000 0.458 277 A N 0.524 123.324 122.820 -0.033 0.000 1.940 277 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 277 A C 2.397 179.811 177.584 -0.284 0.000 1.176 277 A CA 1.479 53.466 52.037 -0.082 0.000 0.631 277 A CB -0.619 18.368 19.000 -0.022 0.000 0.814 277 A HN 0.211 nan 8.150 nan 0.000 0.446 278 V N 0.096 119.901 119.914 -0.182 0.000 2.261 278 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 278 V C 2.403 178.359 176.094 -0.230 0.000 1.047 278 V CA 2.321 64.504 62.300 -0.195 0.000 1.015 278 V CB -1.000 30.796 31.823 -0.045 0.000 0.642 278 V HN 0.647 nan 8.190 nan 0.000 0.446 279 E N -0.167 119.970 120.200 -0.105 0.000 2.070 279 E HA -0.282 4.068 4.350 -0.000 0.000 0.197 279 E C 2.209 178.755 176.600 -0.089 0.000 1.004 279 E CA 1.840 58.218 56.400 -0.038 0.000 0.805 279 E CB -0.290 29.422 29.700 0.021 0.000 0.744 279 E HN 0.562 nan 8.360 nan 0.000 0.451 280 M N 0.270 119.789 119.600 -0.135 0.000 2.159 280 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 280 M C 2.499 178.617 176.300 -0.303 0.000 1.063 280 M CA 1.399 56.643 55.300 -0.094 0.000 1.110 280 M CB -0.227 32.419 32.600 0.077 0.000 1.374 280 M HN 0.112 nan 8.290 nan 0.000 0.411 281 A N 0.347 122.660 122.820 -0.846 0.000 1.969 281 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 281 A C 1.938 178.957 177.584 -0.941 0.000 1.169 281 A CA 1.434 52.729 52.037 -1.237 0.000 0.635 281 A CB -0.539 17.341 19.000 -1.867 0.000 0.810 281 A HN 0.526 nan 8.150 nan 0.000 0.445 282 E N -0.171 119.627 120.200 -0.669 0.000 2.152 282 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 282 E C 1.685 178.073 176.600 -0.354 0.000 0.983 282 E CA 0.670 56.777 56.400 -0.488 0.000 0.818 282 E CB -0.151 29.293 29.700 -0.426 0.000 0.758 282 E HN 0.552 nan 8.360 nan 0.000 0.467 283 N N 1.297 119.957 118.700 -0.067 0.000 2.022 283 N HA -0.153 4.587 4.740 -0.000 0.000 0.194 283 N C 1.405 177.062 175.510 0.245 0.000 1.057 283 N CA 1.444 54.622 53.050 0.214 0.000 0.849 283 N CB -0.291 38.319 38.487 0.204 0.000 1.044 283 N HN 0.047 nan 8.380 nan 0.000 0.424 284 D N 0.564 121.026 120.400 0.103 0.000 2.203 284 D HA -0.105 4.535 4.640 -0.000 0.000 0.199 284 D C 1.112 177.528 176.300 0.194 0.000 0.997 284 D CA 1.090 55.129 54.000 0.065 0.000 0.863 284 D CB -0.096 40.729 40.800 0.042 0.000 0.928 284 D HN 0.352 nan 8.370 nan 0.000 0.458 285 N N -1.195 117.616 118.700 0.184 0.000 2.227 285 N HA 0.135 4.875 4.740 -0.000 0.000 0.196 285 N C 1.323 177.081 175.510 0.412 0.000 1.142 285 N CA 0.022 53.254 53.050 0.304 0.000 0.887 285 N CB 1.385 39.978 38.487 0.177 0.000 1.022 285 N HN 0.085 nan 8.380 nan 0.000 0.500 286 R N -0.458 120.191 120.500 0.247 0.000 3.275 286 R HA 0.165 4.505 4.340 -0.000 0.000 0.154 286 R C 1.302 177.793 176.300 0.317 0.000 0.843 286 R CA -0.076 56.111 56.100 0.145 0.000 1.027 286 R CB -0.098 29.898 30.300 -0.505 0.000 1.423 286 R HN 0.026 nan 8.270 nan 0.000 0.530 287 W N 1.879 123.355 121.300 0.293 0.000 2.338 287 W HA -0.259 4.401 4.660 -0.000 0.000 0.304 287 W C 2.116 178.792 176.519 0.261 0.000 1.212 287 W CA 0.515 58.033 57.345 0.289 0.000 1.264 287 W CB -0.467 29.108 29.460 0.191 0.000 1.142 287 W HN 0.430 nan 8.180 nan 0.000 0.512 288 W N 0.470 122.010 121.300 0.401 0.000 2.342 288 W HA -0.253 4.407 4.660 -0.000 0.000 0.297 288 W C 1.818 178.465 176.519 0.214 0.000 1.213 288 W CA 1.033 58.531 57.345 0.255 0.000 1.251 288 W CB -1.901 27.666 29.460 0.178 0.000 1.136 288 W HN 0.031 nan 8.180 nan 0.000 0.526 289 F N 0.963 120.064 119.950 -1.415 0.000 2.113 289 F HA -0.065 4.462 4.527 -0.000 0.000 0.297 289 F C 2.184 177.454 175.800 -0.882 0.000 1.103 289 F CA 1.954 59.055 58.000 -1.499 0.000 1.248 289 F CB -0.960 37.181 39.000 -1.433 0.000 0.999 289 F HN -0.268 nan 8.300 nan 0.000 0.475 290 F N 0.529 120.403 119.950 -0.127 0.000 2.259 290 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 290 F C 2.135 177.759 175.800 -0.293 0.000 1.088 290 F CA 1.096 58.974 58.000 -0.203 0.000 1.358 290 F CB -0.681 38.282 39.000 -0.062 0.000 1.040 290 F HN -0.076 nan 8.300 nan 0.000 0.505 291 D N 0.206 120.649 120.400 0.071 0.000 2.178 291 D HA -0.102 4.538 4.640 -0.000 0.000 0.202 291 D C 2.266 178.507 176.300 -0.099 0.000 0.974 291 D CA 1.146 55.168 54.000 0.036 0.000 0.841 291 D CB -0.434 40.453 40.800 0.146 0.000 0.953 291 D HN 0.213 nan 8.370 nan 0.000 0.478 292 A N 1.407 124.105 122.820 -0.204 0.000 1.824 292 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 292 A C 2.154 179.536 177.584 -0.337 0.000 1.209 292 A CA 1.438 53.310 52.037 -0.275 0.000 0.614 292 A CB -1.005 17.735 19.000 -0.433 0.000 0.852 292 A HN 0.371 nan 8.150 nan 0.000 0.447 293 I N -3.224 117.044 120.570 -0.504 0.000 3.334 293 I HA 0.093 4.263 4.170 -0.000 0.000 0.282 293 I C 1.349 177.273 176.117 -0.322 0.000 1.313 293 I CA 0.921 61.969 61.300 -0.420 0.000 1.396 293 I CB -0.176 37.520 38.000 -0.506 0.000 1.054 293 I HN 0.299 nan 8.210 nan 0.000 0.495 294 I N 0.116 120.513 120.570 -0.289 0.000 3.623 294 I HA 0.107 4.277 4.170 -0.000 0.000 0.253 294 I C 1.927 177.944 176.117 -0.167 0.000 1.144 294 I CA -0.159 60.990 61.300 -0.252 0.000 1.461 294 I CB -0.044 37.731 38.000 -0.375 0.000 1.575 294 I HN -0.015 nan 8.210 nan 0.000 0.445 295 R N 1.526 121.951 120.500 -0.126 0.000 2.313 295 R HA 0.200 4.540 4.340 -0.000 0.000 0.199 295 R C 1.268 177.525 176.300 -0.071 0.000 0.958 295 R CA 0.829 56.890 56.100 -0.065 0.000 1.047 295 R CB -0.303 29.987 30.300 -0.017 0.000 0.955 295 R HN 0.571 nan 8.270 nan 0.000 0.481 296 G N 1.632 110.367 108.800 -0.109 0.000 2.189 296 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.267 296 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.267 296 G C -0.212 174.647 174.900 -0.067 0.000 0.975 296 G CA 0.333 45.372 45.100 -0.102 0.000 0.644 296 G HN 0.452 nan 8.290 nan 0.000 0.537 297 E N -0.191 119.983 120.200 -0.044 0.000 2.316 297 E HA 0.693 5.043 4.350 -0.000 0.000 0.275 297 E C 0.322 176.938 176.600 0.025 0.000 1.029 297 E CA 0.059 56.460 56.400 0.002 0.000 0.871 297 E CB 1.668 31.385 29.700 0.028 0.000 1.022 297 E HN 0.482 nan 8.360 nan 0.000 0.418 298 I N 0.987 121.594 120.570 0.061 0.000 3.395 298 I HA 0.366 4.536 4.170 -0.000 0.000 0.318 298 I C -1.545 174.649 176.117 0.129 0.000 1.262 298 I CA -0.449 60.924 61.300 0.122 0.000 0.910 298 I CB 2.787 40.851 38.000 0.108 0.000 1.329 298 I HN 0.472 nan 8.210 nan 0.000 0.485 299 T N 3.378 118.029 114.554 0.162 0.000 3.335 299 T HA 0.370 4.720 4.350 -0.000 0.000 0.321 299 T C -1.179 173.567 174.700 0.075 0.000 0.960 299 T CA -0.738 61.423 62.100 0.102 0.000 1.034 299 T CB 0.358 69.266 68.868 0.067 0.000 1.040 299 T HN 0.714 nan 8.240 nan 0.000 0.454 300 R N 3.531 124.058 120.500 0.045 0.000 2.441 300 R HA 0.619 4.959 4.340 -0.000 0.000 0.284 300 R C 1.190 177.459 176.300 -0.051 0.000 1.070 300 R CA 0.511 56.580 56.100 -0.052 0.000 1.047 300 R CB 0.541 30.796 30.300 -0.074 0.000 1.016 300 R HN 0.963 nan 8.270 nan 0.000 0.477 301 G N 2.957 111.706 108.800 -0.084 0.000 5.206 301 G HA2 -0.487 3.473 3.960 -0.000 0.000 0.328 301 G HA3 -0.487 3.473 3.960 -0.000 0.000 0.328 301 G C 0.542 175.411 174.900 -0.051 0.000 1.382 301 G CA 1.125 46.185 45.100 -0.067 0.000 0.994 301 G HN 0.893 nan 8.290 nan 0.000 0.800 302 N N -0.065 118.616 118.700 -0.032 0.000 1.975 302 N HA 0.179 4.919 4.740 -0.000 0.000 0.220 302 N C -0.788 174.718 175.510 -0.006 0.000 1.413 302 N CA 0.795 53.832 53.050 -0.022 0.000 0.722 302 N CB 0.466 38.937 38.487 -0.026 0.000 1.151 302 N HN 0.338 nan 8.380 nan 0.000 0.557 303 E N 1.223 121.421 120.200 -0.004 0.000 1.963 303 E HA 0.162 4.512 4.350 -0.000 0.000 0.274 303 E C -0.644 175.970 176.600 0.023 0.000 1.061 303 E CA -0.400 56.004 56.400 0.006 0.000 0.847 303 E CB 0.966 30.665 29.700 -0.001 0.000 1.083 303 E HN 0.168 nan 8.360 nan 0.000 0.402 304 K N 4.603 125.019 120.400 0.027 0.000 2.351 304 K HA 0.035 4.355 4.320 -0.000 0.000 0.287 304 K C -0.313 176.309 176.600 0.036 0.000 1.068 304 K CA 0.109 56.420 56.287 0.040 0.000 0.998 304 K CB -0.218 32.304 32.500 0.037 0.000 0.968 304 K HN 0.260 nan 8.250 nan 0.000 0.464 305 I N 3.193 123.791 120.570 0.046 0.000 4.011 305 I HA 0.411 4.580 4.170 -0.000 0.000 0.258 305 I C -0.172 175.963 176.117 0.030 0.000 1.393 305 I CA -1.373 59.949 61.300 0.038 0.000 1.045 305 I CB 0.854 38.883 38.000 0.049 0.000 1.523 305 I HN 0.248 nan 8.210 nan 0.000 0.613 306 V N 2.007 121.933 119.914 0.019 0.000 2.925 306 V HA 0.233 4.353 4.120 -0.000 0.000 0.252 306 V C -0.348 175.743 176.094 -0.006 0.000 0.913 306 V CA -0.658 61.644 62.300 0.003 0.000 0.933 306 V CB 0.906 32.729 31.823 -0.001 0.000 1.039 306 V HN 0.562 nan 8.190 nan 0.000 0.507 307 R N 2.317 122.809 120.500 -0.013 0.000 2.248 307 R HA 0.259 4.599 4.340 -0.000 0.000 0.337 307 R C 0.621 176.896 176.300 -0.042 0.000 1.085 307 R CA -0.298 55.789 56.100 -0.021 0.000 0.934 307 R CB 0.679 30.963 30.300 -0.026 0.000 1.034 307 R HN 0.591 nan 8.270 nan 0.000 0.465 308 D N 2.164 122.545 120.400 -0.032 0.000 2.351 308 D HA -0.162 4.478 4.640 -0.000 0.000 0.216 308 D C 0.850 177.119 176.300 -0.051 0.000 0.968 308 D CA 1.081 55.057 54.000 -0.040 0.000 0.899 308 D CB 0.219 41.004 40.800 -0.026 0.000 0.907 308 D HN 0.639 nan 8.370 nan 0.000 0.514 309 D N 0.399 120.769 120.400 -0.050 0.000 2.363 309 D HA -0.094 4.546 4.640 -0.000 0.000 0.220 309 D C 1.908 178.150 176.300 -0.097 0.000 0.994 309 D CA 0.180 54.145 54.000 -0.059 0.000 0.890 309 D CB -0.043 40.732 40.800 -0.043 0.000 0.906 309 D HN 0.305 nan 8.370 nan 0.000 0.530 310 L N -0.610 120.544 121.223 -0.116 0.000 2.500 310 L HA 0.145 4.485 4.340 -0.000 0.000 0.219 310 L C 1.220 177.982 176.870 -0.180 0.000 1.057 310 L CA -0.352 54.389 54.840 -0.166 0.000 0.854 310 L CB 0.093 42.045 42.059 -0.179 0.000 1.078 310 L HN -0.208 nan 8.230 nan 0.000 0.480 311 K N 1.115 121.434 120.400 -0.135 0.000 2.530 311 K HA 0.043 4.363 4.320 -0.000 0.000 0.280 311 K C 0.997 177.505 176.600 -0.154 0.000 1.004 311 K CA 0.975 57.185 56.287 -0.127 0.000 1.071 311 K CB 0.235 32.685 32.500 -0.082 0.000 0.876 311 K HN 0.271 nan 8.250 nan 0.000 0.487 312 G N 3.326 112.026 108.800 -0.167 0.000 2.258 312 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.274 312 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.274 312 G C 0.158 174.862 174.900 -0.327 0.000 1.021 312 G CA 0.395 45.386 45.100 -0.181 0.000 0.798 312 G HN 0.601 nan 8.290 nan 0.000 0.507 313 R N -0.985 119.233 120.500 -0.470 0.000 3.541 313 R HA 0.617 4.957 4.340 -0.000 0.000 0.277 313 R C -0.039 175.708 176.300 -0.921 0.000 1.539 313 R CA -0.131 55.369 56.100 -1.000 0.000 1.338 313 R CB 0.016 29.850 30.300 -0.776 0.000 1.343 313 R HN 0.411 nan 8.270 nan 0.000 0.623 314 L N -1.032 119.891 121.223 -0.499 0.000 2.482 314 L HA 0.381 4.721 4.340 -0.000 0.000 0.263 314 L C -0.372 176.501 176.870 0.005 0.000 0.957 314 L CA -0.091 54.653 54.840 -0.159 0.000 0.836 314 L CB 2.286 44.262 42.059 -0.140 0.000 1.324 314 L HN 0.010 nan 8.230 nan 0.000 0.406 315 D N 2.753 123.230 120.400 0.128 0.000 2.431 315 D HA 0.138 4.778 4.640 -0.000 0.000 0.235 315 D C -0.561 175.828 176.300 0.148 0.000 0.980 315 D CA 1.034 55.166 54.000 0.220 0.000 0.912 315 D CB 0.411 41.444 40.800 0.387 0.000 1.056 315 D HN 0.519 nan 8.370 nan 0.000 0.494 316 W N 0.415 121.621 121.300 -0.157 0.000 3.062 316 W HA 0.602 5.262 4.660 -0.000 0.000 0.336 316 W C -1.598 174.819 176.519 -0.170 0.000 1.224 316 W CA -0.969 56.119 57.345 -0.429 0.000 1.159 316 W CB 0.468 29.367 29.460 -0.935 0.000 1.454 316 W HN -0.389 nan 8.180 nan 0.000 0.569 317 I N 2.221 122.874 120.570 0.139 0.000 2.378 317 I HA 0.440 4.610 4.170 -0.000 0.000 0.291 317 I C 0.711 176.977 176.117 0.247 0.000 0.992 317 I CA -0.699 60.592 61.300 -0.015 0.000 1.154 317 I CB 1.796 39.606 38.000 -0.316 0.000 1.315 317 I HN 0.595 nan 8.210 nan 0.000 0.448 318 G N 5.656 114.563 108.800 0.179 0.000 2.325 318 G HA2 0.499 4.459 3.960 -0.000 0.000 0.298 318 G HA3 0.499 4.459 3.960 -0.000 0.000 0.298 318 G C -0.607 174.407 174.900 0.190 0.000 1.134 318 G CA -0.252 45.088 45.100 0.399 0.000 0.876 318 G HN 0.355 nan 8.290 nan 0.000 0.452 319 V N 3.689 123.720 119.914 0.196 0.000 2.347 319 V HA 0.260 4.380 4.120 -0.000 0.000 0.280 319 V C -0.470 175.742 176.094 0.196 0.000 1.021 319 V CA -1.059 61.344 62.300 0.172 0.000 0.847 319 V CB 1.169 33.091 31.823 0.165 0.000 0.990 319 V HN 0.643 nan 8.190 nan 0.000 0.444 320 N N 3.583 122.403 118.700 0.200 0.000 2.430 320 N HA 0.597 5.337 4.740 -0.000 0.000 0.292 320 N C -1.224 174.390 175.510 0.173 0.000 1.051 320 N CA -0.343 52.792 53.050 0.143 0.000 0.917 320 N CB 1.602 40.172 38.487 0.138 0.000 1.164 320 N HN 0.710 nan 8.380 nan 0.000 0.484 321 Y N 1.646 121.866 120.300 -0.133 0.000 2.441 321 Y HA 0.333 4.883 4.550 -0.000 0.000 0.334 321 Y C -1.048 174.660 175.900 -0.319 0.000 1.061 321 Y CA -0.508 57.534 58.100 -0.097 0.000 1.032 321 Y CB 0.785 39.247 38.460 0.004 0.000 1.266 321 Y HN 0.610 nan 8.280 nan 0.000 0.441 322 Y N 1.813 121.726 120.300 -0.646 0.000 2.784 322 Y HA 0.350 4.900 4.550 -0.000 0.000 0.267 322 Y C 0.969 176.611 175.900 -0.431 0.000 1.117 322 Y CA 0.781 58.717 58.100 -0.275 0.000 1.231 322 Y CB 1.211 39.637 38.460 -0.057 0.000 1.441 322 Y HN 0.620 nan 8.280 nan 0.000 0.469 323 T N -0.623 113.516 114.554 -0.692 0.000 2.637 323 T HA 0.397 4.747 4.350 -0.000 0.000 0.303 323 T C -1.655 172.801 174.700 -0.408 0.000 1.288 323 T CA -0.884 60.970 62.100 -0.410 0.000 1.040 323 T CB 1.278 69.929 68.868 -0.362 0.000 1.644 323 T HN 0.123 nan 8.240 nan 0.000 0.480 324 R N 0.312 120.669 120.500 -0.238 0.000 2.797 324 R HA 0.783 5.122 4.340 -0.000 0.000 0.251 324 R C -1.389 174.760 176.300 -0.251 0.000 1.107 324 R CA -0.400 55.534 56.100 -0.276 0.000 1.084 324 R CB 1.277 31.232 30.300 -0.574 0.000 1.205 324 R HN 0.603 nan 8.270 nan 0.000 0.515 325 T N 1.078 115.488 114.554 -0.240 0.000 2.937 325 T HA 0.292 4.642 4.350 -0.000 0.000 0.297 325 T C -1.023 173.643 174.700 -0.057 0.000 0.991 325 T CA -0.542 61.510 62.100 -0.080 0.000 0.990 325 T CB 1.627 70.511 68.868 0.027 0.000 0.991 325 T HN 0.366 nan 8.240 nan 0.000 0.440 326 V N 4.796 124.655 119.914 -0.091 0.000 2.406 326 V HA 0.551 4.671 4.120 -0.000 0.000 0.272 326 V C 0.455 176.506 176.094 -0.071 0.000 1.043 326 V CA -0.604 61.578 62.300 -0.197 0.000 0.915 326 V CB 0.904 32.375 31.823 -0.587 0.000 0.988 326 V HN 0.756 nan 8.190 nan 0.000 0.466 327 V N 2.930 122.814 119.914 -0.050 0.000 2.919 327 V HA 0.873 4.993 4.120 -0.000 0.000 0.316 327 V C -0.594 175.493 176.094 -0.011 0.000 1.077 327 V CA -1.053 61.244 62.300 -0.006 0.000 0.977 327 V CB 1.921 33.694 31.823 -0.084 0.000 1.039 327 V HN 0.968 nan 8.190 nan 0.000 0.441 328 K N 1.644 122.072 120.400 0.047 0.000 2.513 328 K HA 0.607 4.927 4.320 -0.000 0.000 0.251 328 K C -0.470 176.177 176.600 0.078 0.000 0.939 328 K CA -0.947 55.365 56.287 0.042 0.000 0.793 328 K CB 2.257 34.778 32.500 0.035 0.000 1.241 328 K HN 0.576 nan 8.250 nan 0.000 0.431 329 R N 0.994 121.530 120.500 0.060 0.000 2.861 329 R HA 0.113 4.453 4.340 -0.000 0.000 0.268 329 R C -0.524 175.804 176.300 0.046 0.000 1.027 329 R CA 0.540 56.681 56.100 0.068 0.000 1.163 329 R CB 0.354 30.680 30.300 0.043 0.000 1.060 329 R HN 0.903 nan 8.270 nan 0.000 0.483 330 T N 2.497 117.070 114.554 0.032 0.000 4.076 330 T HA 0.087 4.437 4.350 -0.000 0.000 0.222 330 T C 0.248 174.947 174.700 -0.001 0.000 1.008 330 T CA -0.299 61.805 62.100 0.008 0.000 1.486 330 T CB 0.246 69.106 68.868 -0.013 0.000 0.828 330 T HN 0.659 nan 8.240 nan 0.000 0.625 331 E N 1.397 121.601 120.200 0.006 0.000 4.458 331 E HA -0.271 4.079 4.350 -0.000 0.000 0.172 331 E C 0.648 177.250 176.600 0.003 0.000 1.192 331 E CA 1.813 58.215 56.400 0.003 0.000 2.456 331 E CB -0.771 28.927 29.700 -0.004 0.000 1.755 331 E HN 0.379 nan 8.360 nan 0.000 0.473 332 K N -0.094 120.304 120.400 -0.004 0.000 2.548 332 K HA 0.283 4.603 4.320 -0.000 0.000 0.209 332 K C 0.927 177.524 176.600 -0.005 0.000 1.420 332 K CA 0.834 57.119 56.287 -0.003 0.000 0.985 332 K CB 0.395 32.886 32.500 -0.014 0.000 1.249 332 K HN 0.238 nan 8.250 nan 0.000 0.557 333 G N 0.745 109.527 108.800 -0.031 0.000 2.525 333 G HA2 0.293 4.253 3.960 -0.000 0.000 0.276 333 G HA3 0.293 4.253 3.960 -0.000 0.000 0.276 333 G C -0.659 174.250 174.900 0.015 0.000 1.388 333 G CA 0.125 45.176 45.100 -0.082 0.000 1.050 333 G HN 0.147 nan 8.290 nan 0.000 0.520 334 Y N -3.498 116.769 120.300 -0.055 0.000 2.641 334 Y HA 0.639 5.189 4.550 -0.000 0.000 0.333 334 Y C -1.032 174.835 175.900 -0.056 0.000 1.174 334 Y CA -1.841 56.224 58.100 -0.060 0.000 1.057 334 Y CB 0.717 39.125 38.460 -0.087 0.000 1.322 334 Y HN 0.617 nan 8.280 nan 0.000 0.457 335 V N 0.377 120.453 119.914 0.269 0.000 3.130 335 V HA 0.692 4.812 4.120 -0.000 0.000 0.310 335 V C -0.632 175.579 176.094 0.195 0.000 1.158 335 V CA -1.141 61.249 62.300 0.150 0.000 1.029 335 V CB 2.017 33.875 31.823 0.059 0.000 1.057 335 V HN 0.827 nan 8.190 nan 0.000 0.436 336 S N 2.343 118.129 115.700 0.142 0.000 2.422 336 S HA 0.645 5.115 4.470 -0.000 0.000 0.308 336 S C -0.357 174.311 174.600 0.112 0.000 1.097 336 S CA -0.440 57.839 58.200 0.131 0.000 1.099 336 S CB 0.353 63.629 63.200 0.125 0.000 0.976 336 S HN 0.487 nan 8.310 nan 0.000 0.471 337 L N 2.768 124.066 121.223 0.125 0.000 2.417 337 L HA 0.494 4.834 4.340 -0.000 0.000 0.268 337 L C 1.211 178.223 176.870 0.236 0.000 1.158 337 L CA -0.559 54.393 54.840 0.187 0.000 0.819 337 L CB 0.313 42.519 42.059 0.245 0.000 1.112 337 L HN 0.652 nan 8.230 nan 0.000 0.458 338 G N -0.246 108.664 108.800 0.183 0.000 2.528 338 G HA2 0.455 4.415 3.960 -0.000 0.000 0.289 338 G HA3 0.455 4.415 3.960 -0.000 0.000 0.289 338 G C 0.726 175.667 174.900 0.068 0.000 1.192 338 G CA 0.038 45.213 45.100 0.124 0.000 0.921 338 G HN 0.995 nan 8.290 nan 0.000 0.512 339 G N -1.772 107.012 108.800 -0.027 0.000 2.148 339 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.254 339 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.254 339 G C -0.091 174.564 174.900 -0.409 0.000 0.981 339 G CA 1.037 45.999 45.100 -0.229 0.000 0.670 339 G HN 0.883 nan 8.290 nan 0.000 0.528 340 Y N -1.747 118.581 120.300 0.047 0.000 2.625 340 Y HA 0.552 5.102 4.550 -0.000 0.000 0.338 340 Y C 1.304 177.210 175.900 0.010 0.000 1.123 340 Y CA 0.053 58.168 58.100 0.026 0.000 1.046 340 Y CB 0.870 39.328 38.460 -0.004 0.000 1.299 340 Y HN 1.167 nan 8.280 nan 0.000 0.464 341 G N 0.656 109.544 108.800 0.148 0.000 2.665 341 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.326 341 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.326 341 G C 0.656 175.504 174.900 -0.086 0.000 1.231 341 G CA 1.354 46.434 45.100 -0.033 0.000 0.992 341 G HN 0.893 nan 8.290 nan 0.000 0.549 342 H N 1.246 120.242 119.070 -0.124 0.000 2.544 342 H HA 0.365 4.921 4.556 -0.000 0.000 0.269 342 H C 2.176 177.521 175.328 0.029 0.000 0.970 342 H CA 0.920 56.829 56.048 -0.231 0.000 1.219 342 H CB 0.166 29.632 29.762 -0.493 0.000 1.421 342 H HN 0.634 nan 8.280 nan 0.000 0.555 343 G N 0.072 108.965 108.800 0.154 0.000 4.198 343 G HA2 0.332 4.292 3.960 -0.000 0.000 0.282 343 G HA3 0.332 4.292 3.960 -0.000 0.000 0.282 343 G C -0.626 174.345 174.900 0.119 0.000 1.262 343 G CA -0.181 44.998 45.100 0.132 0.000 1.473 343 G HN 0.217 nan 8.290 nan 0.000 0.624 344 C N -0.389 119.003 119.300 0.153 0.000 2.630 344 C HA 0.540 5.000 4.460 -0.000 0.000 0.346 344 C C 0.485 175.548 174.990 0.122 0.000 1.245 344 C CA -0.891 58.196 59.018 0.115 0.000 1.804 344 C CB 2.173 29.993 27.740 0.134 0.000 2.279 344 C HN 0.625 nan 8.230 nan 0.000 0.498 345 E N 0.690 120.943 120.200 0.087 0.000 2.366 345 E HA 0.181 4.531 4.350 -0.000 0.000 0.266 345 E C -0.266 176.393 176.600 0.098 0.000 1.051 345 E CA -0.143 56.308 56.400 0.085 0.000 0.884 345 E CB 0.586 30.322 29.700 0.061 0.000 1.006 345 E HN 0.453 nan 8.360 nan 0.000 0.417 346 R N 2.441 122.996 120.500 0.091 0.000 2.442 346 R HA 0.054 4.394 4.340 -0.000 0.000 0.291 346 R C -0.158 176.182 176.300 0.068 0.000 1.069 346 R CA 0.181 56.329 56.100 0.080 0.000 1.022 346 R CB -0.063 30.276 30.300 0.065 0.000 0.976 346 R HN 0.677 nan 8.270 nan 0.000 0.443 347 N N 0.337 119.078 118.700 0.069 0.000 2.688 347 N HA -0.255 4.485 4.740 -0.000 0.000 0.258 347 N C -0.674 174.887 175.510 0.086 0.000 1.016 347 N CA 0.975 54.069 53.050 0.074 0.000 0.747 347 N CB -0.417 38.103 38.487 0.055 0.000 0.895 347 N HN 0.613 nan 8.380 nan 0.000 0.543 348 S N -1.316 114.446 115.700 0.104 0.000 4.185 348 S HA 0.783 5.253 4.470 -0.000 0.000 0.278 348 S C -1.338 173.337 174.600 0.125 0.000 1.080 348 S CA -0.270 58.001 58.200 0.118 0.000 1.356 348 S CB 1.441 64.695 63.200 0.091 0.000 1.483 348 S HN 0.041 nan 8.310 nan 0.000 0.715 349 V N 2.114 122.082 119.914 0.091 0.000 2.971 349 V HA 0.618 4.738 4.120 -0.000 0.000 0.309 349 V C 0.021 176.130 176.094 0.024 0.000 1.130 349 V CA -0.287 62.043 62.300 0.050 0.000 0.964 349 V CB 1.956 33.766 31.823 -0.021 0.000 1.029 349 V HN 1.039 nan 8.190 nan 0.000 0.427 350 S N 3.790 119.508 115.700 0.030 0.000 2.641 350 S HA 0.413 4.883 4.470 -0.000 0.000 0.261 350 S C 1.002 175.532 174.600 -0.116 0.000 1.257 350 S CA -0.436 57.745 58.200 -0.031 0.000 0.983 350 S CB 0.432 63.656 63.200 0.040 0.000 0.990 350 S HN 0.564 nan 8.310 nan 0.000 0.572 351 L N 0.103 121.127 121.223 -0.332 0.000 2.450 351 L HA 0.017 4.357 4.340 -0.000 0.000 0.224 351 L C 2.210 179.020 176.870 -0.100 0.000 1.149 351 L CA 1.052 55.693 54.840 -0.331 0.000 0.816 351 L CB -0.710 40.927 42.059 -0.704 0.000 0.932 351 L HN 0.893 nan 8.230 nan 0.000 0.449 352 A N -0.980 121.851 122.820 0.019 0.000 2.465 352 A HA 0.460 4.780 4.320 -0.000 0.000 0.255 352 A C 1.607 179.241 177.584 0.084 0.000 1.274 352 A CA 0.462 52.584 52.037 0.143 0.000 0.920 352 A CB 0.030 19.202 19.000 0.286 0.000 1.033 352 A HN 0.412 nan 8.150 nan 0.000 0.516 353 G N -0.700 108.116 108.800 0.026 0.000 2.162 353 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 353 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 353 G C 0.102 175.008 174.900 0.010 0.000 0.976 353 G CA 0.448 45.541 45.100 -0.011 0.000 0.655 353 G HN 0.466 nan 8.290 nan 0.000 0.533 354 L N 2.354 123.626 121.223 0.081 0.000 2.326 354 L HA 0.403 4.743 4.340 -0.000 0.000 0.278 354 L C -1.169 175.768 176.870 0.111 0.000 1.092 354 L CA -2.190 52.721 54.840 0.120 0.000 0.810 354 L CB 0.949 43.162 42.059 0.257 0.000 1.153 354 L HN -0.034 nan 8.230 nan 0.000 0.439 355 P HA 0.062 nan 4.420 nan 0.000 0.271 355 P C -0.689 176.732 177.300 0.201 0.000 1.233 355 P CA -0.204 62.954 63.100 0.096 0.000 0.789 355 P CB 0.682 32.390 31.700 0.013 0.000 0.951 356 T N -2.782 111.881 114.554 0.182 0.000 2.900 356 T HA 0.509 4.859 4.350 -0.000 0.000 0.295 356 T C 0.352 175.150 174.700 0.163 0.000 1.044 356 T CA -0.640 61.585 62.100 0.208 0.000 0.995 356 T CB 0.965 69.940 68.868 0.177 0.000 1.072 356 T HN 0.474 nan 8.240 nan 0.000 0.473 357 S N 1.511 117.297 115.700 0.143 0.000 2.625 357 S HA 0.216 4.685 4.470 -0.000 0.000 0.262 357 S C 0.437 175.015 174.600 -0.037 0.000 1.223 357 S CA -0.253 57.961 58.200 0.024 0.000 0.993 357 S CB -0.163 62.987 63.200 -0.083 0.000 1.051 357 S HN 0.692 nan 8.310 nan 0.000 0.562 358 D N -0.429 119.891 120.400 -0.133 0.000 2.378 358 D HA 0.085 4.725 4.640 -0.000 0.000 0.222 358 D C 0.634 176.856 176.300 -0.130 0.000 0.980 358 D CA 0.652 54.568 54.000 -0.140 0.000 0.907 358 D CB -0.281 40.389 40.800 -0.216 0.000 0.899 358 D HN 0.456 nan 8.370 nan 0.000 0.527 359 F N -0.138 119.580 119.950 -0.387 0.000 2.704 359 F HA 0.322 4.849 4.527 -0.000 0.000 0.304 359 F C 1.605 177.245 175.800 -0.266 0.000 1.094 359 F CA -0.069 57.649 58.000 -0.470 0.000 1.275 359 F CB 0.413 38.737 39.000 -1.126 0.000 1.073 359 F HN 0.039 nan 8.300 nan 0.000 0.586 360 G N -0.083 108.758 108.800 0.068 0.000 2.142 360 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.225 360 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.225 360 G C -0.387 174.737 174.900 0.373 0.000 1.015 360 G CA -0.201 45.016 45.100 0.195 0.000 0.716 360 G HN 0.096 nan 8.290 nan 0.000 0.508 361 W N 0.802 122.161 121.300 0.099 0.000 2.469 361 W HA 0.662 5.322 4.660 -0.000 0.000 0.320 361 W C 0.456 177.045 176.519 0.117 0.000 1.086 361 W CA -2.112 55.255 57.345 0.038 0.000 1.211 361 W CB 0.747 30.195 29.460 -0.020 0.000 1.298 361 W HN 0.301 nan 8.180 nan 0.000 0.525 362 E N 2.215 122.615 120.200 0.333 0.000 2.338 362 E HA 0.110 4.460 4.350 -0.000 0.000 0.272 362 E C -0.939 175.944 176.600 0.472 0.000 1.029 362 E CA -0.609 55.998 56.400 0.345 0.000 0.872 362 E CB 0.629 30.488 29.700 0.264 0.000 1.015 362 E HN 0.259 nan 8.360 nan 0.000 0.417 363 F N 5.567 125.735 119.950 0.365 0.000 2.502 363 F HA 0.188 4.715 4.527 -0.000 0.000 0.371 363 F C -0.854 175.208 175.800 0.437 0.000 1.083 363 F CA 0.233 58.486 58.000 0.422 0.000 1.174 363 F CB 0.114 39.298 39.000 0.306 0.000 1.096 363 F HN 0.439 nan 8.300 nan 0.000 0.545 364 F N 9.396 129.440 119.950 0.158 0.000 3.020 364 F HA 0.352 4.879 4.527 -0.000 0.000 0.389 364 F C -2.328 173.518 175.800 0.077 0.000 1.265 364 F CA -1.716 56.386 58.000 0.169 0.000 1.195 364 F CB 0.498 39.631 39.000 0.223 0.000 2.250 364 F HN 0.232 nan 8.300 nan 0.000 0.627 365 P HA -0.186 nan 4.420 nan 0.000 0.216 365 P C 1.080 178.165 177.300 -0.358 0.000 1.150 365 P CA 1.618 64.295 63.100 -0.704 0.000 0.843 365 P CB 0.330 31.542 31.700 -0.814 0.000 0.787 366 E N -0.537 119.339 120.200 -0.541 0.000 2.219 366 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 366 E C 2.220 178.772 176.600 -0.080 0.000 0.998 366 E CA 1.571 57.733 56.400 -0.397 0.000 0.818 366 E CB -1.641 27.681 29.700 -0.630 0.000 0.741 366 E HN 0.291 nan 8.360 nan 0.000 0.477 367 G N 0.490 109.383 108.800 0.156 0.000 2.471 367 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 367 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 367 G C 1.402 176.110 174.900 -0.320 0.000 1.125 367 G CA 0.466 45.771 45.100 0.343 0.000 0.775 367 G HN 0.205 nan 8.290 nan 0.000 0.548 368 L N -0.284 120.551 121.223 -0.647 0.000 2.056 368 L HA 0.054 4.394 4.340 -0.000 0.000 0.207 368 L C 2.426 179.179 176.870 -0.195 0.000 1.078 368 L CA 1.472 55.906 54.840 -0.676 0.000 0.749 368 L CB -0.981 40.883 42.059 -0.326 0.000 0.901 368 L HN 0.353 nan 8.230 nan 0.000 0.433 369 Y N 0.316 120.513 120.300 -0.171 0.000 2.165 369 Y HA -0.290 4.260 4.550 -0.000 0.000 0.286 369 Y C 2.405 178.281 175.900 -0.040 0.000 1.155 369 Y CA 2.174 60.221 58.100 -0.089 0.000 1.164 369 Y CB -0.360 38.045 38.460 -0.093 0.000 0.978 369 Y HN 0.473 nan 8.280 nan 0.000 0.513 370 D N -0.702 119.702 120.400 0.006 0.000 2.097 370 D HA -0.179 4.461 4.640 -0.000 0.000 0.195 370 D C 2.168 178.422 176.300 -0.077 0.000 0.989 370 D CA 1.695 55.681 54.000 -0.024 0.000 0.827 370 D CB -0.332 40.524 40.800 0.093 0.000 0.966 370 D HN 0.238 nan 8.370 nan 0.000 0.456 371 V N 0.365 120.237 119.914 -0.070 0.000 2.295 371 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 371 V C 2.657 178.796 176.094 0.075 0.000 1.049 371 V CA 1.466 63.753 62.300 -0.021 0.000 1.024 371 V CB -0.516 31.332 31.823 0.041 0.000 0.648 371 V HN 0.304 nan 8.190 nan 0.000 0.447 372 L N 0.401 121.645 121.223 0.035 0.000 2.046 372 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 372 L C 2.741 179.644 176.870 0.056 0.000 1.077 372 L CA 2.189 57.081 54.840 0.087 0.000 0.747 372 L CB -1.099 40.966 42.059 0.010 0.000 0.896 372 L HN 0.592 nan 8.230 nan 0.000 0.432 373 T N -3.499 110.968 114.554 -0.146 0.000 2.951 373 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 373 T C 1.832 176.538 174.700 0.010 0.000 1.073 373 T CA 0.615 62.645 62.100 -0.116 0.000 1.134 373 T CB -0.092 68.546 68.868 -0.383 0.000 0.884 373 T HN 0.232 nan 8.240 nan 0.000 0.479 374 K N -0.272 120.139 120.400 0.017 0.000 2.062 374 K HA 0.015 4.335 4.320 -0.000 0.000 0.205 374 K C 2.053 178.716 176.600 0.105 0.000 1.051 374 K CA 1.121 57.452 56.287 0.074 0.000 0.941 374 K CB -0.279 32.304 32.500 0.140 0.000 0.719 374 K HN 0.341 nan 8.250 nan 0.000 0.440 375 Y N 0.315 120.703 120.300 0.146 0.000 2.163 375 Y HA -0.262 4.288 4.550 -0.000 0.000 0.288 375 Y C 2.209 178.051 175.900 -0.098 0.000 1.136 375 Y CA 1.137 59.282 58.100 0.075 0.000 1.147 375 Y CB -0.524 37.993 38.460 0.095 0.000 0.987 375 Y HN 0.292 nan 8.280 nan 0.000 0.509 376 W N 1.474 122.779 121.300 0.007 0.000 2.333 376 W HA -0.273 4.387 4.660 -0.000 0.000 0.316 376 W C 1.395 177.622 176.519 -0.487 0.000 1.215 376 W CA 2.041 59.285 57.345 -0.169 0.000 1.278 376 W CB -0.472 28.915 29.460 -0.121 0.000 1.154 376 W HN 0.139 nan 8.180 nan 0.000 0.486 377 N N 0.383 118.819 118.700 -0.439 0.000 2.381 377 N HA -0.164 4.576 4.740 -0.000 0.000 0.182 377 N C 1.875 177.005 175.510 -0.634 0.000 1.025 377 N CA 1.262 53.975 53.050 -0.561 0.000 0.888 377 N CB -0.533 37.849 38.487 -0.175 0.000 0.965 377 N HN 0.372 nan 8.380 nan 0.000 0.438 378 R N -0.558 119.534 120.500 -0.680 0.000 2.156 378 R HA 0.017 4.357 4.340 -0.000 0.000 0.207 378 R C 0.574 176.411 176.300 -0.771 0.000 1.040 378 R CA 0.777 56.369 56.100 -0.846 0.000 1.013 378 R CB 0.257 29.723 30.300 -1.390 0.000 0.931 378 R HN 0.131 nan 8.270 nan 0.000 0.465 379 Y N -1.457 118.622 120.300 -0.368 0.000 2.471 379 Y HA 0.246 4.796 4.550 -0.000 0.000 0.249 379 Y C -0.316 175.412 175.900 -0.286 0.000 1.116 379 Y CA -0.632 57.326 58.100 -0.237 0.000 1.240 379 Y CB 0.014 38.390 38.460 -0.139 0.000 1.251 379 Y HN 0.124 nan 8.280 nan 0.000 0.527 380 H N -0.363 118.375 119.070 -0.553 0.000 2.684 380 H HA -0.190 4.366 4.556 -0.000 0.000 0.309 380 H C -0.484 174.551 175.328 -0.488 0.000 1.102 380 H CA 0.690 56.097 56.048 -1.069 0.000 1.147 380 H CB -1.851 27.419 29.762 -0.819 0.000 1.391 380 H HN 0.221 nan 8.280 nan 0.000 0.398 381 L N 0.856 122.051 121.223 -0.047 0.000 2.325 381 L HA 0.294 4.634 4.340 -0.000 0.000 0.279 381 L C 1.015 178.128 176.870 0.405 0.000 1.054 381 L CA -1.248 53.697 54.840 0.176 0.000 0.804 381 L CB 0.550 42.660 42.059 0.085 0.000 1.200 381 L HN 0.238 nan 8.230 nan 0.000 0.436 382 Y N 1.821 122.358 120.300 0.396 0.000 2.335 382 Y HA 0.529 5.079 4.550 -0.000 0.000 0.348 382 Y C -0.028 176.020 175.900 0.246 0.000 1.280 382 Y CA -1.099 57.199 58.100 0.330 0.000 1.504 382 Y CB 0.447 38.993 38.460 0.143 0.000 1.366 382 Y HN 0.513 nan 8.280 nan 0.000 0.621 383 M N 0.801 120.559 119.600 0.263 0.000 2.683 383 M HA 0.565 5.045 4.480 -0.000 0.000 0.274 383 M C -2.359 173.925 176.300 -0.026 0.000 1.272 383 M CA -1.034 54.357 55.300 0.151 0.000 0.833 383 M CB 2.353 35.043 32.600 0.149 0.000 1.708 383 M HN 0.718 nan 8.290 nan 0.000 0.463 384 Y N -0.339 120.020 120.300 0.097 0.000 2.499 384 Y HA 0.611 5.161 4.550 -0.000 0.000 0.347 384 Y C -0.454 175.490 175.900 0.074 0.000 0.987 384 Y CA -0.877 57.219 58.100 -0.007 0.000 1.044 384 Y CB 2.526 40.914 38.460 -0.119 0.000 1.245 384 Y HN 0.463 nan 8.280 nan 0.000 0.461 385 V N 2.772 122.811 119.914 0.208 0.000 2.284 385 V HA 0.055 4.175 4.120 -0.000 0.000 0.260 385 V C 0.620 176.774 176.094 0.102 0.000 1.084 385 V CA 0.019 62.421 62.300 0.169 0.000 0.894 385 V CB 0.222 32.172 31.823 0.212 0.000 1.119 385 V HN 1.060 nan 8.190 nan 0.000 0.484 386 T N 1.091 115.741 114.554 0.160 0.000 3.085 386 T HA 0.154 4.504 4.350 -0.000 0.000 0.263 386 T C 0.450 175.235 174.700 0.143 0.000 1.127 386 T CA 0.426 62.616 62.100 0.150 0.000 1.103 386 T CB 0.287 69.290 68.868 0.226 0.000 0.921 386 T HN 0.626 nan 8.240 nan 0.000 0.510 387 E N 0.271 120.524 120.200 0.090 0.000 2.354 387 E HA 0.547 4.897 4.350 -0.000 0.000 0.283 387 E C -1.677 174.837 176.600 -0.143 0.000 0.938 387 E CA -0.791 55.666 56.400 0.095 0.000 0.777 387 E CB 1.792 31.619 29.700 0.212 0.000 1.222 387 E HN 0.224 nan 8.360 nan 0.000 0.423 388 N N 1.313 119.905 118.700 -0.179 0.000 2.864 388 N HA 0.543 5.283 4.740 -0.000 0.000 0.247 388 N C -1.376 174.134 175.510 0.001 0.000 1.071 388 N CA -0.051 52.862 53.050 -0.229 0.000 1.056 388 N CB 1.726 40.241 38.487 0.047 0.000 1.661 388 N HN 0.629 nan 8.380 nan 0.000 0.570 389 G N 1.401 110.337 108.800 0.228 0.000 2.428 389 G HA2 0.558 4.518 3.960 -0.000 0.000 0.304 389 G HA3 0.558 4.518 3.960 -0.000 0.000 0.304 389 G C -1.922 173.073 174.900 0.160 0.000 1.303 389 G CA -0.493 44.755 45.100 0.246 0.000 0.825 389 G HN 0.709 nan 8.290 nan 0.000 0.484 390 I N -0.368 120.181 120.570 -0.036 0.000 2.722 390 I HA 0.654 4.824 4.170 -0.000 0.000 0.292 390 I C -0.267 175.366 176.117 -0.805 0.000 1.267 390 I CA -1.133 59.902 61.300 -0.442 0.000 1.036 390 I CB 1.964 39.563 38.000 -0.668 0.000 1.281 390 I HN 1.000 nan 8.210 nan 0.000 0.423 391 A N 4.644 126.710 122.820 -1.257 0.000 2.396 391 A HA 0.497 4.817 4.320 -0.000 0.000 0.279 391 A C -0.649 176.615 177.584 -0.535 0.000 1.165 391 A CA 0.239 51.570 52.037 -1.177 0.000 0.824 391 A CB -0.066 18.260 19.000 -1.122 0.000 1.100 391 A HN 0.625 nan 8.150 nan 0.000 0.516 392 D N 2.174 122.360 120.400 -0.355 0.000 2.491 392 D HA 0.067 4.707 4.640 -0.000 0.000 0.232 392 D C 0.069 176.260 176.300 -0.182 0.000 1.334 392 D CA -0.353 53.517 54.000 -0.216 0.000 0.909 392 D CB 0.670 41.389 40.800 -0.134 0.000 1.513 392 D HN 0.403 nan 8.370 nan 0.000 0.514 393 D N 2.026 122.314 120.400 -0.186 0.000 2.144 393 D HA -0.046 4.594 4.640 -0.000 0.000 0.200 393 D C 1.763 177.940 176.300 -0.205 0.000 0.978 393 D CA 1.515 55.420 54.000 -0.159 0.000 0.833 393 D CB 0.355 41.076 40.800 -0.131 0.000 0.961 393 D HN 0.390 nan 8.370 nan 0.000 0.470 394 A N -0.262 122.360 122.820 -0.331 0.000 2.014 394 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 394 A C 1.111 178.437 177.584 -0.431 0.000 1.163 394 A CA 1.458 53.178 52.037 -0.528 0.000 0.652 394 A CB -0.117 18.200 19.000 -1.139 0.000 0.808 394 A HN 0.282 nan 8.150 nan 0.000 0.449 395 D N -4.810 115.423 120.400 -0.279 0.000 3.110 395 D HA -0.171 4.469 4.640 -0.000 0.000 0.214 395 D C 0.234 176.592 176.300 0.097 0.000 1.112 395 D CA 0.930 54.892 54.000 -0.065 0.000 0.927 395 D CB -1.773 39.017 40.800 -0.016 0.000 1.095 395 D HN 0.418 nan 8.370 nan 0.000 0.429 396 Y N 0.213 120.565 120.300 0.086 0.000 2.163 396 Y HA 0.004 4.554 4.550 -0.000 0.000 0.288 396 Y C 2.590 178.614 175.900 0.206 0.000 1.136 396 Y CA 1.656 59.829 58.100 0.122 0.000 1.147 396 Y CB -0.631 37.875 38.460 0.077 0.000 0.987 396 Y HN 0.311 nan 8.280 nan 0.000 0.509 397 Q N -0.803 119.213 119.800 0.360 0.000 2.376 397 Q HA 0.005 4.345 4.340 -0.000 0.000 0.206 397 Q C 2.264 178.557 176.000 0.488 0.000 0.921 397 Q CA 0.018 56.065 55.803 0.406 0.000 0.911 397 Q CB 0.089 29.039 28.738 0.354 0.000 1.032 397 Q HN 0.327 nan 8.270 nan 0.000 0.510 398 R N 0.975 121.674 120.500 0.332 0.000 2.103 398 R HA -0.153 4.187 4.340 -0.000 0.000 0.242 398 R C -0.849 175.642 176.300 0.317 0.000 1.142 398 R CA 1.627 57.916 56.100 0.315 0.000 0.960 398 R CB -0.714 29.693 30.300 0.178 0.000 0.858 398 R HN 0.142 nan 8.270 nan 0.000 0.439 399 P HA -0.157 nan 4.420 nan 0.000 0.215 399 P C 0.476 177.806 177.300 0.050 0.000 1.153 399 P CA 1.454 64.583 63.100 0.049 0.000 0.853 399 P CB -0.092 31.549 31.700 -0.097 0.000 0.788 400 Y N -3.007 117.422 120.300 0.215 0.000 2.263 400 Y HA -0.160 4.390 4.550 -0.000 0.000 0.292 400 Y C 2.552 178.701 175.900 0.415 0.000 1.130 400 Y CA 1.046 59.297 58.100 0.253 0.000 1.179 400 Y CB -1.397 37.201 38.460 0.230 0.000 0.998 400 Y HN -0.055 nan 8.280 nan 0.000 0.532 401 Y N 0.318 120.985 120.300 0.613 0.000 2.145 401 Y HA -0.269 4.281 4.550 -0.000 0.000 0.286 401 Y C 2.366 178.515 175.900 0.415 0.000 1.145 401 Y CA 1.340 59.724 58.100 0.473 0.000 1.148 401 Y CB -0.642 38.101 38.460 0.472 0.000 0.981 401 Y HN 0.145 nan 8.280 nan 0.000 0.507 402 L N -0.396 121.113 121.223 0.477 0.000 1.955 402 L HA -0.178 4.162 4.340 -0.000 0.000 0.213 402 L C 2.281 179.230 176.870 0.131 0.000 1.072 402 L CA 2.095 57.098 54.840 0.272 0.000 0.755 402 L CB -1.324 40.771 42.059 0.061 0.000 0.888 402 L HN 0.127 nan 8.230 nan 0.000 0.432 403 V N -0.482 119.486 119.914 0.090 0.000 2.407 403 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 403 V C 2.591 178.727 176.094 0.071 0.000 1.055 403 V CA 1.848 64.182 62.300 0.057 0.000 1.049 403 V CB -0.790 31.034 31.823 0.001 0.000 0.662 403 V HN 0.548 nan 8.190 nan 0.000 0.455 404 S N -1.210 114.523 115.700 0.056 0.000 2.383 404 S HA -0.187 4.283 4.470 -0.000 0.000 0.227 404 S C 1.827 176.367 174.600 -0.101 0.000 1.026 404 S CA 1.520 59.703 58.200 -0.029 0.000 0.981 404 S CB -0.319 62.826 63.200 -0.092 0.000 0.818 404 S HN 0.743 nan 8.310 nan 0.000 0.472 405 H N 0.027 119.062 119.070 -0.059 0.000 2.372 405 H HA 0.125 4.681 4.556 -0.000 0.000 0.301 405 H C 2.081 177.421 175.328 0.021 0.000 1.065 405 H CA 1.124 57.151 56.048 -0.035 0.000 1.364 405 H CB -0.090 29.657 29.762 -0.026 0.000 1.406 405 H HN 0.106 nan 8.280 nan 0.000 0.521 406 V N 0.603 120.554 119.914 0.062 0.000 2.490 406 V HA -0.298 3.822 4.120 -0.000 0.000 0.250 406 V C 1.967 178.188 176.094 0.212 0.000 1.061 406 V CA 1.827 64.133 62.300 0.010 0.000 1.064 406 V CB -0.602 31.215 31.823 -0.010 0.000 0.670 406 V HN 0.502 nan 8.190 nan 0.000 0.461 407 Y N 1.033 121.342 120.300 0.014 0.000 2.224 407 Y HA -0.208 4.342 4.550 -0.000 0.000 0.289 407 Y C 2.559 178.406 175.900 -0.088 0.000 1.146 407 Y CA 1.627 59.641 58.100 -0.143 0.000 1.182 407 Y CB -0.112 38.170 38.460 -0.295 0.000 0.983 407 Y HN 0.240 nan 8.280 nan 0.000 0.524 408 Q N -0.431 119.233 119.800 -0.228 0.000 2.230 408 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 408 Q C 2.501 178.489 176.000 -0.020 0.000 0.963 408 Q CA 1.302 56.988 55.803 -0.195 0.000 0.866 408 Q CB -0.558 28.154 28.738 -0.042 0.000 0.931 408 Q HN 0.476 nan 8.270 nan 0.000 0.452 409 V N 0.501 120.470 119.914 0.093 0.000 2.237 409 V HA -0.299 3.821 4.120 -0.000 0.000 0.245 409 V C 2.319 178.492 176.094 0.132 0.000 1.046 409 V CA 2.303 64.714 62.300 0.186 0.000 1.007 409 V CB -0.861 31.149 31.823 0.312 0.000 0.638 409 V HN 0.441 nan 8.190 nan 0.000 0.445 410 H N 0.409 119.506 119.070 0.046 0.000 2.357 410 H HA -0.264 4.292 4.556 -0.000 0.000 0.296 410 H C 2.449 177.595 175.328 -0.302 0.000 1.108 410 H CA 2.424 58.326 56.048 -0.244 0.000 1.273 410 H CB -0.055 29.348 29.762 -0.598 0.000 1.367 410 H HN 0.274 nan 8.280 nan 0.000 0.498 411 R N -0.176 120.200 120.500 -0.207 0.000 2.092 411 R HA -0.040 4.299 4.340 -0.000 0.000 0.231 411 R C 2.387 178.723 176.300 0.060 0.000 1.119 411 R CA 1.032 57.016 56.100 -0.192 0.000 0.970 411 R CB -0.263 29.778 30.300 -0.432 0.000 0.864 411 R HN 0.430 nan 8.270 nan 0.000 0.440 412 A N 0.989 123.890 122.820 0.135 0.000 1.873 412 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 412 A C 2.117 179.656 177.584 -0.075 0.000 1.186 412 A CA 1.180 53.261 52.037 0.072 0.000 0.616 412 A CB -0.477 18.511 19.000 -0.021 0.000 0.823 412 A HN 0.327 nan 8.150 nan 0.000 0.442 413 I N 0.347 120.845 120.570 -0.119 0.000 2.151 413 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 413 I C 2.008 177.993 176.117 -0.220 0.000 1.080 413 I CA 1.512 62.696 61.300 -0.194 0.000 1.339 413 I CB -0.474 37.406 38.000 -0.201 0.000 1.039 413 I HN 0.417 nan 8.210 nan 0.000 0.409 414 N N 0.315 118.870 118.700 -0.242 0.000 2.520 414 N HA -0.083 4.657 4.740 -0.000 0.000 0.185 414 N C 1.456 176.911 175.510 -0.092 0.000 1.068 414 N CA 0.955 53.893 53.050 -0.187 0.000 0.911 414 N CB 0.064 38.426 38.487 -0.208 0.000 0.961 414 N HN 0.296 nan 8.380 nan 0.000 0.446 415 S N -0.580 115.090 115.700 -0.049 0.000 2.593 415 S HA 0.185 4.655 4.470 -0.000 0.000 0.217 415 S C 1.440 176.002 174.600 -0.064 0.000 0.966 415 S CA 0.456 58.659 58.200 0.006 0.000 0.914 415 S CB 0.659 63.931 63.200 0.119 0.000 0.776 415 S HN 0.569 nan 8.310 nan 0.000 0.523 416 G N 0.995 109.696 108.800 -0.166 0.000 2.179 416 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.220 416 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.220 416 G C 0.123 174.615 174.900 -0.680 0.000 0.990 416 G CA -0.307 44.642 45.100 -0.251 0.000 0.646 416 G HN 0.802 nan 8.290 nan 0.000 0.517 417 A N 0.417 122.775 122.820 -0.769 0.000 2.409 417 A HA 0.531 4.851 4.320 -0.000 0.000 0.262 417 A C 0.177 177.203 177.584 -0.930 0.000 1.113 417 A CA 0.375 51.659 52.037 -1.255 0.000 0.790 417 A CB 0.508 19.192 19.000 -0.527 0.000 1.046 417 A HN 0.312 nan 8.150 nan 0.000 0.496 418 D N 2.785 122.465 120.400 -1.200 0.000 2.402 418 D HA 0.350 4.990 4.640 -0.000 0.000 0.235 418 D C -0.774 175.427 176.300 -0.165 0.000 1.226 418 D CA 0.246 53.961 54.000 -0.475 0.000 0.918 418 D CB 0.237 40.897 40.800 -0.234 0.000 1.043 418 D HN 0.111 nan 8.370 nan 0.000 0.506 419 V N 5.434 125.277 119.914 -0.119 0.000 2.448 419 V HA 0.397 4.516 4.120 -0.000 0.000 0.295 419 V C 1.177 177.210 176.094 -0.102 0.000 1.025 419 V CA -0.721 61.553 62.300 -0.044 0.000 0.859 419 V CB 1.813 33.691 31.823 0.091 0.000 0.988 419 V HN 0.401 nan 8.190 nan 0.000 0.431 420 R N 2.540 122.758 120.500 -0.470 0.000 2.432 420 R HA 0.530 4.870 4.340 -0.000 0.000 0.260 420 R C 0.610 176.219 176.300 -1.152 0.000 0.935 420 R CA 0.222 55.881 56.100 -0.735 0.000 1.080 420 R CB 1.211 30.976 30.300 -0.892 0.000 1.155 420 R HN 0.856 nan 8.270 nan 0.000 0.531 421 G N 0.098 108.176 108.800 -1.204 0.000 2.519 421 G HA2 0.228 4.188 3.960 -0.000 0.000 0.292 421 G HA3 0.228 4.188 3.960 -0.000 0.000 0.292 421 G C -2.405 172.193 174.900 -0.502 0.000 1.507 421 G CA -0.633 43.751 45.100 -1.194 0.000 0.806 421 G HN 0.077 nan 8.290 nan 0.000 0.523 422 Y N 0.802 120.834 120.300 -0.446 0.000 2.329 422 Y HA 0.737 5.287 4.550 -0.000 0.000 0.328 422 Y C -1.491 174.530 175.900 0.203 0.000 0.992 422 Y CA -1.121 57.005 58.100 0.044 0.000 1.151 422 Y CB 1.573 40.164 38.460 0.219 0.000 1.150 422 Y HN 0.429 nan 8.280 nan 0.000 0.450 423 L N 6.776 127.863 121.223 -0.227 0.000 2.316 423 L HA 0.334 4.674 4.340 -0.000 0.000 0.280 423 L C -0.556 176.227 176.870 -0.145 0.000 1.006 423 L CA -0.688 54.139 54.840 -0.022 0.000 0.836 423 L CB 0.990 43.070 42.059 0.035 0.000 1.221 423 L HN 0.680 nan 8.230 nan 0.000 0.418 424 H N 2.983 122.016 119.070 -0.063 0.000 2.764 424 H HA 0.019 4.575 4.556 -0.000 0.000 0.341 424 H C -0.768 174.617 175.328 0.095 0.000 1.072 424 H CA -0.028 56.003 56.048 -0.028 0.000 1.444 424 H CB 0.746 30.524 29.762 0.027 0.000 1.458 424 H HN 0.617 nan 8.280 nan 0.000 0.572 425 W N 6.673 127.808 121.300 -0.275 0.000 2.666 425 W HA 0.286 4.946 4.660 -0.000 0.000 0.365 425 W C -0.788 175.716 176.519 -0.025 0.000 1.224 425 W CA 0.153 57.468 57.345 -0.050 0.000 1.515 425 W CB -0.607 28.919 29.460 0.110 0.000 1.562 425 W HN 0.747 nan 8.180 nan 0.000 0.455 426 S N 3.383 118.616 115.700 -0.779 0.000 3.027 426 S HA -0.231 4.239 4.470 -0.000 0.000 0.857 426 S C 0.659 175.125 174.600 -0.223 0.000 0.980 426 S CA -0.043 57.810 58.200 -0.579 0.000 1.337 426 S CB -0.608 62.044 63.200 -0.913 0.000 0.952 426 S HN 0.677 nan 8.310 nan 0.000 0.241 427 L N 2.133 123.169 121.223 -0.313 0.000 2.007 427 L HA 0.208 4.548 4.340 -0.000 0.000 0.205 427 L C 1.122 177.763 176.870 -0.381 0.000 1.073 427 L CA 2.377 56.927 54.840 -0.483 0.000 0.744 427 L CB -0.681 40.807 42.059 -0.950 0.000 0.898 427 L HN 0.917 nan 8.230 nan 0.000 0.435 428 A N -0.912 121.718 122.820 -0.317 0.000 2.387 428 A HA 0.421 4.741 4.320 -0.000 0.000 0.303 428 A C -1.100 176.431 177.584 -0.089 0.000 1.145 428 A CA -0.759 51.122 52.037 -0.261 0.000 0.801 428 A CB 0.757 19.509 19.000 -0.413 0.000 1.342 428 A HN 0.234 nan 8.150 nan 0.000 0.440 429 D N 1.581 121.949 120.400 -0.052 0.000 2.414 429 D HA 0.250 4.890 4.640 -0.000 0.000 0.242 429 D C -0.007 176.437 176.300 0.239 0.000 1.129 429 D CA 0.577 54.635 54.000 0.098 0.000 0.885 429 D CB 0.463 41.287 40.800 0.040 0.000 1.198 429 D HN 0.645 nan 8.370 nan 0.000 0.437 430 N N 0.379 119.294 118.700 0.357 0.000 3.229 430 N HA 0.155 4.895 4.740 -0.000 0.000 0.315 430 N C -1.180 174.599 175.510 0.449 0.000 1.520 430 N CA -0.746 52.547 53.050 0.404 0.000 0.769 430 N CB 0.912 39.561 38.487 0.269 0.000 1.766 430 N HN 0.277 nan 8.380 nan 0.000 0.618 431 Y N 0.762 121.141 120.300 0.131 0.000 2.404 431 Y HA 0.143 4.693 4.550 -0.000 0.000 0.344 431 Y C 0.262 175.951 175.900 -0.351 0.000 0.995 431 Y CA -0.131 57.870 58.100 -0.166 0.000 1.201 431 Y CB 0.645 38.865 38.460 -0.399 0.000 1.151 431 Y HN 0.437 nan 8.280 nan 0.000 0.517 432 E N 7.227 127.145 120.200 -0.470 0.000 2.452 432 E HA 0.012 4.362 4.350 -0.000 0.000 0.293 432 E C -0.334 176.144 176.600 -0.203 0.000 1.535 432 E CA 0.173 56.397 56.400 -0.294 0.000 1.816 432 E CB -0.515 29.155 29.700 -0.051 0.000 1.494 432 E HN 0.891 nan 8.360 nan 0.000 0.464 433 W N 0.255 121.406 121.300 -0.248 0.000 2.338 433 W HA -0.467 4.192 4.660 -0.000 0.000 0.294 433 W C 1.894 178.449 176.519 0.060 0.000 1.426 433 W CA 0.966 58.244 57.345 -0.112 0.000 1.387 433 W CB -1.745 27.649 29.460 -0.111 0.000 0.897 433 W HN 0.319 nan 8.180 nan 0.000 0.509 434 A N -0.381 122.862 122.820 0.704 0.000 2.019 434 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 434 A C 1.754 179.482 177.584 0.240 0.000 1.164 434 A CA 2.290 54.653 52.037 0.543 0.000 0.644 434 A CB -0.921 18.486 19.000 0.679 0.000 0.805 434 A HN 0.438 nan 8.150 nan 0.000 0.449 435 S N -1.227 114.578 115.700 0.175 0.000 2.489 435 S HA 0.374 4.844 4.470 -0.000 0.000 0.228 435 S C 1.296 175.768 174.600 -0.214 0.000 0.995 435 S CA 0.742 58.949 58.200 0.011 0.000 0.934 435 S CB -0.411 62.795 63.200 0.010 0.000 0.771 435 S HN 1.536 nan 8.310 nan 0.000 0.522 436 G N 1.283 109.775 108.800 -0.513 0.000 2.593 436 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.237 436 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.237 436 G C 0.132 174.651 174.900 -0.635 0.000 1.312 436 G CA -0.078 44.545 45.100 -0.794 0.000 0.896 436 G HN 0.248 nan 8.290 nan 0.000 0.574 437 F N 2.022 121.823 119.950 -0.248 0.000 2.661 437 F HA 0.109 4.636 4.527 -0.000 0.000 0.298 437 F C 2.972 178.731 175.800 -0.068 0.000 1.137 437 F CA 1.475 59.373 58.000 -0.169 0.000 1.454 437 F CB -0.337 38.473 39.000 -0.317 0.000 1.103 437 F HN 0.597 nan 8.300 nan 0.000 0.577 438 S N -0.395 115.323 115.700 0.030 0.000 2.419 438 S HA -0.145 4.324 4.470 -0.000 0.000 0.235 438 S C 1.137 175.679 174.600 -0.096 0.000 1.019 438 S CA 0.795 58.982 58.200 -0.022 0.000 0.982 438 S CB -0.421 62.740 63.200 -0.066 0.000 0.789 438 S HN 0.099 nan 8.310 nan 0.000 0.490 439 M N 2.927 122.430 119.600 -0.162 0.000 2.151 439 M HA 0.348 4.828 4.480 -0.000 0.000 0.349 439 M C -0.383 175.921 176.300 0.006 0.000 1.284 439 M CA 0.248 55.391 55.300 -0.261 0.000 1.173 439 M CB 0.546 32.798 32.600 -0.581 0.000 1.469 439 M HN 0.224 nan 8.290 nan 0.000 0.439 440 R N 2.623 123.095 120.500 -0.047 0.000 2.205 440 R HA 0.278 4.618 4.340 -0.000 0.000 0.342 440 R C -0.237 176.073 176.300 0.016 0.000 1.058 440 R CA -0.085 56.050 56.100 0.058 0.000 0.904 440 R CB 0.412 30.713 30.300 0.003 0.000 1.089 440 R HN 0.501 nan 8.270 nan 0.000 0.471 441 F N 0.427 120.414 119.950 0.061 0.000 2.664 441 F HA 0.226 4.753 4.527 -0.000 0.000 0.303 441 F C 1.534 177.354 175.800 0.033 0.000 1.092 441 F CA -0.294 57.766 58.000 0.100 0.000 1.305 441 F CB 0.911 40.108 39.000 0.327 0.000 1.054 441 F HN 0.538 nan 8.300 nan 0.000 0.565 442 G N -0.108 108.773 108.800 0.134 0.000 2.400 442 G HA2 0.405 4.365 3.960 -0.000 0.000 0.301 442 G HA3 0.405 4.365 3.960 -0.000 0.000 0.301 442 G C 0.734 175.622 174.900 -0.019 0.000 1.154 442 G CA -0.458 44.652 45.100 0.016 0.000 0.852 442 G HN 0.214 nan 8.290 nan 0.000 0.511 443 L N 0.172 121.358 121.223 -0.061 0.000 2.291 443 L HA 0.150 4.490 4.340 -0.000 0.000 0.214 443 L C 0.628 177.365 176.870 -0.222 0.000 1.120 443 L CA 0.776 55.541 54.840 -0.125 0.000 0.799 443 L CB -0.324 41.625 42.059 -0.184 0.000 0.925 443 L HN 0.232 nan 8.230 nan 0.000 0.446 444 L N -0.019 121.047 121.223 -0.262 0.000 2.341 444 L HA 0.364 4.704 4.340 -0.000 0.000 0.278 444 L C -0.112 176.655 176.870 -0.170 0.000 1.005 444 L CA -0.508 54.166 54.840 -0.276 0.000 0.818 444 L CB 1.895 43.698 42.059 -0.427 0.000 1.259 444 L HN -0.093 nan 8.230 nan 0.000 0.418 445 K N 2.267 122.623 120.400 -0.073 0.000 2.174 445 K HA 0.550 4.870 4.320 -0.000 0.000 0.275 445 K C -1.124 175.442 176.600 -0.058 0.000 1.015 445 K CA -0.492 55.763 56.287 -0.054 0.000 0.933 445 K CB 1.452 33.942 32.500 -0.017 0.000 1.025 445 K HN 0.379 nan 8.250 nan 0.000 0.463 446 V N 3.555 123.348 119.914 -0.202 0.000 2.417 446 V HA 0.091 4.211 4.120 -0.000 0.000 0.291 446 V C -0.526 175.352 176.094 -0.361 0.000 1.024 446 V CA -0.841 61.247 62.300 -0.353 0.000 0.861 446 V CB 1.453 32.850 31.823 -0.710 0.000 0.985 446 V HN 0.816 nan 8.190 nan 0.000 0.436 447 D N 3.331 123.644 120.400 -0.145 0.000 2.468 447 D HA 0.173 4.813 4.640 -0.000 0.000 0.218 447 D C 0.619 176.840 176.300 -0.133 0.000 1.155 447 D CA -0.244 53.718 54.000 -0.063 0.000 0.924 447 D CB 0.484 41.355 40.800 0.118 0.000 1.029 447 D HN 0.482 nan 8.370 nan 0.000 0.515 448 Y N 2.253 122.505 120.300 -0.080 0.000 2.538 448 Y HA -0.151 4.399 4.550 -0.000 0.000 0.287 448 Y C 1.902 177.747 175.900 -0.091 0.000 1.157 448 Y CA 0.789 58.795 58.100 -0.156 0.000 1.338 448 Y CB -0.361 37.895 38.460 -0.341 0.000 0.970 448 Y HN 0.409 nan 8.280 nan 0.000 0.564 449 N N -1.302 117.441 118.700 0.073 0.000 2.376 449 N HA -0.076 4.664 4.740 -0.000 0.000 0.177 449 N C 1.481 177.017 175.510 0.043 0.000 1.024 449 N CA 1.563 54.647 53.050 0.056 0.000 0.893 449 N CB 0.079 38.595 38.487 0.047 0.000 0.980 449 N HN 0.359 nan 8.380 nan 0.000 0.439 450 T N -3.861 110.712 114.554 0.032 0.000 3.058 450 T HA 0.250 4.600 4.350 -0.000 0.000 0.278 450 T C 0.242 174.948 174.700 0.011 0.000 0.974 450 T CA -0.349 61.765 62.100 0.024 0.000 0.893 450 T CB 0.432 69.314 68.868 0.023 0.000 1.138 450 T HN -0.127 nan 8.240 nan 0.000 0.529 451 K N 0.412 120.814 120.400 0.003 0.000 3.349 451 K HA -0.189 4.131 4.320 -0.000 0.000 0.310 451 K C 0.303 176.877 176.600 -0.043 0.000 1.267 451 K CA 0.665 56.952 56.287 0.001 0.000 0.920 451 K CB -1.748 30.789 32.500 0.062 0.000 1.240 451 K HN 0.682 nan 8.250 nan 0.000 0.453 452 R N 1.155 121.604 120.500 -0.084 0.000 2.543 452 R HA 0.363 4.703 4.340 -0.000 0.000 0.277 452 R C 0.068 176.197 176.300 -0.285 0.000 1.074 452 R CA -0.220 55.768 56.100 -0.187 0.000 1.076 452 R CB 0.471 30.648 30.300 -0.206 0.000 0.993 452 R HN 0.110 nan 8.270 nan 0.000 0.459 453 L N 4.240 125.240 121.223 -0.372 0.000 2.331 453 L HA 0.477 4.817 4.340 -0.000 0.000 0.275 453 L C -0.997 175.602 176.870 -0.451 0.000 1.022 453 L CA -0.916 53.716 54.840 -0.346 0.000 0.812 453 L CB 1.276 43.127 42.059 -0.346 0.000 1.257 453 L HN 0.626 nan 8.230 nan 0.000 0.435 454 Y N -0.887 119.383 120.300 -0.049 0.000 2.512 454 Y HA 0.355 4.905 4.550 -0.000 0.000 0.348 454 Y C -0.886 175.074 175.900 0.100 0.000 0.990 454 Y CA -0.570 57.566 58.100 0.060 0.000 1.033 454 Y CB 1.773 40.235 38.460 0.004 0.000 1.259 454 Y HN 0.388 nan 8.280 nan 0.000 0.461 455 W N 3.578 124.916 121.300 0.063 0.000 2.335 455 W HA 0.535 5.195 4.660 -0.000 0.000 0.306 455 W C 0.101 176.635 176.519 0.024 0.000 1.216 455 W CA -0.901 56.449 57.345 0.010 0.000 1.237 455 W CB 0.552 30.008 29.460 -0.007 0.000 1.243 455 W HN 0.260 nan 8.180 nan 0.000 0.493 456 R N 4.277 124.839 120.500 0.103 0.000 2.459 456 R HA 0.160 4.499 4.340 -0.000 0.000 0.281 456 R C -1.334 175.028 176.300 0.104 0.000 1.050 456 R CA -1.444 54.699 56.100 0.072 0.000 1.055 456 R CB 0.518 30.821 30.300 0.005 0.000 1.045 456 R HN 0.160 nan 8.270 nan 0.000 0.495 457 P HA -0.244 nan 4.420 nan 0.000 0.217 457 P C 0.887 178.241 177.300 0.090 0.000 1.148 457 P CA 1.577 64.741 63.100 0.107 0.000 0.834 457 P CB 0.191 31.944 31.700 0.088 0.000 0.783 458 S N -1.427 114.307 115.700 0.058 0.000 2.474 458 S HA -0.013 4.457 4.470 -0.000 0.000 0.235 458 S C 1.961 176.570 174.600 0.016 0.000 0.997 458 S CA 0.852 59.072 58.200 0.032 0.000 0.949 458 S CB -1.044 62.170 63.200 0.024 0.000 0.766 458 S HN 0.126 nan 8.310 nan 0.000 0.517 459 A N 2.332 125.154 122.820 0.003 0.000 1.897 459 A HA 0.206 4.526 4.320 -0.000 0.000 0.215 459 A C 2.190 179.835 177.584 0.102 0.000 1.181 459 A CA 1.099 53.083 52.037 -0.089 0.000 0.620 459 A CB -0.781 17.986 19.000 -0.389 0.000 0.821 459 A HN 0.519 nan 8.150 nan 0.000 0.443 460 L N -0.399 120.978 121.223 0.257 0.000 2.191 460 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 460 L C 2.327 179.290 176.870 0.156 0.000 1.103 460 L CA 0.618 55.627 54.840 0.283 0.000 0.769 460 L CB -0.436 41.764 42.059 0.235 0.000 0.908 460 L HN 0.229 nan 8.230 nan 0.000 0.438 461 V N -1.470 118.511 119.914 0.112 0.000 2.488 461 V HA -0.263 3.856 4.120 -0.000 0.000 0.246 461 V C 2.209 178.364 176.094 0.102 0.000 1.046 461 V CA 1.331 63.675 62.300 0.074 0.000 1.053 461 V CB -0.563 31.279 31.823 0.031 0.000 0.679 461 V HN 0.340 nan 8.190 nan 0.000 0.458 462 Y N 1.316 121.577 120.300 -0.065 0.000 2.200 462 Y HA -0.156 4.394 4.550 -0.000 0.000 0.290 462 Y C 2.744 178.593 175.900 -0.086 0.000 1.137 462 Y CA 1.653 59.685 58.100 -0.112 0.000 1.163 462 Y CB -0.447 37.932 38.460 -0.135 0.000 0.988 462 Y HN 0.082 nan 8.280 nan 0.000 0.518 463 R N 0.416 120.939 120.500 0.038 0.000 2.159 463 R HA -0.159 4.181 4.340 -0.000 0.000 0.237 463 R C 1.709 177.990 176.300 -0.032 0.000 1.131 463 R CA 1.615 57.716 56.100 0.001 0.000 0.982 463 R CB -0.004 30.401 30.300 0.174 0.000 0.868 463 R HN 0.372 nan 8.270 nan 0.000 0.453 464 E N 0.422 120.616 120.200 -0.011 0.000 2.072 464 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 464 E C 2.113 178.670 176.600 -0.071 0.000 0.982 464 E CA 0.907 57.296 56.400 -0.020 0.000 0.803 464 E CB -0.102 29.603 29.700 0.008 0.000 0.755 464 E HN 0.446 nan 8.360 nan 0.000 0.453 465 I N 1.050 121.538 120.570 -0.137 0.000 2.233 465 I HA -0.198 3.972 4.170 -0.000 0.000 0.243 465 I C 2.533 178.387 176.117 -0.440 0.000 1.093 465 I CA 0.960 62.100 61.300 -0.266 0.000 1.380 465 I CB -0.445 37.333 38.000 -0.370 0.000 1.067 465 I HN -0.022 nan 8.210 nan 0.000 0.413 466 A N 0.528 123.038 122.820 -0.517 0.000 1.841 466 A HA -0.190 4.130 4.320 -0.000 0.000 0.214 466 A C 2.348 179.871 177.584 -0.102 0.000 1.195 466 A CA 2.338 54.147 52.037 -0.380 0.000 0.611 466 A CB -1.231 17.512 19.000 -0.428 0.000 0.835 466 A HN 0.318 nan 8.150 nan 0.000 0.443 467 T N 0.131 114.636 114.554 -0.082 0.000 2.946 467 T HA -0.086 4.264 4.350 -0.000 0.000 0.271 467 T C 1.393 176.099 174.700 0.011 0.000 1.104 467 T CA 1.463 63.556 62.100 -0.011 0.000 1.114 467 T CB -0.389 68.476 68.868 -0.004 0.000 0.867 467 T HN 0.515 nan 8.240 nan 0.000 0.513 468 N N -0.805 117.896 118.700 0.002 0.000 2.210 468 N HA 0.133 4.873 4.740 -0.000 0.000 0.203 468 N C 1.234 176.801 175.510 0.094 0.000 1.175 468 N CA 0.598 53.670 53.050 0.037 0.000 0.894 468 N CB 0.996 39.495 38.487 0.020 0.000 1.041 468 N HN 0.410 nan 8.380 nan 0.000 0.506 469 G N 1.458 110.335 108.800 0.128 0.000 2.225 469 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.267 469 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.267 469 G C -0.001 175.141 174.900 0.404 0.000 1.024 469 G CA 0.728 46.011 45.100 0.305 0.000 0.784 469 G HN 0.662 nan 8.290 nan 0.000 0.507 470 A N -1.432 121.554 122.820 0.276 0.000 2.567 470 A HA 0.671 4.991 4.320 -0.000 0.000 0.291 470 A C -0.514 177.176 177.584 0.176 0.000 1.048 470 A CA -0.513 51.704 52.037 0.301 0.000 0.661 470 A CB 0.634 19.723 19.000 0.149 0.000 1.288 470 A HN 0.815 nan 8.150 nan 0.000 0.424 471 I N 2.955 123.646 120.570 0.202 0.000 2.329 471 I HA 0.208 4.378 4.170 -0.000 0.000 0.295 471 I C 1.198 177.345 176.117 0.049 0.000 1.109 471 I CA 0.044 61.437 61.300 0.156 0.000 1.297 471 I CB 0.714 38.895 38.000 0.303 0.000 1.433 471 I HN 0.762 nan 8.210 nan 0.000 0.509 472 T N 0.784 115.352 114.554 0.024 0.000 2.795 472 T HA 0.030 4.380 4.350 -0.000 0.000 0.314 472 T C 0.961 175.644 174.700 -0.029 0.000 1.069 472 T CA -0.625 61.468 62.100 -0.012 0.000 1.071 472 T CB 1.048 69.915 68.868 -0.000 0.000 0.988 472 T HN 0.439 nan 8.240 nan 0.000 0.543 473 D N 0.529 120.897 120.400 -0.054 0.000 2.144 473 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 473 D C 2.128 178.421 176.300 -0.011 0.000 0.978 473 D CA 1.431 55.395 54.000 -0.060 0.000 0.833 473 D CB -0.119 40.638 40.800 -0.072 0.000 0.961 473 D HN 0.930 nan 8.370 nan 0.000 0.470 474 E N 1.253 121.454 120.200 0.001 0.000 2.409 474 E HA -0.126 4.224 4.350 -0.000 0.000 0.198 474 E C 1.901 178.558 176.600 0.095 0.000 1.024 474 E CA 0.615 57.028 56.400 0.021 0.000 0.861 474 E CB -0.366 29.338 29.700 0.007 0.000 0.788 474 E HN 0.452 nan 8.360 nan 0.000 0.521 475 I N -2.539 118.095 120.570 0.107 0.000 4.009 475 I HA 0.290 4.460 4.170 -0.000 0.000 0.331 475 I C 1.539 177.708 176.117 0.088 0.000 1.462 475 I CA -0.410 60.973 61.300 0.139 0.000 1.117 475 I CB 0.318 38.342 38.000 0.040 0.000 1.091 475 I HN -0.166 nan 8.210 nan 0.000 0.410 476 E N 1.996 122.270 120.200 0.123 0.000 2.472 476 E HA -0.203 4.147 4.350 -0.000 0.000 0.200 476 E C 1.815 178.462 176.600 0.078 0.000 1.046 476 E CA 0.962 57.413 56.400 0.084 0.000 0.871 476 E CB -0.004 29.723 29.700 0.045 0.000 0.806 476 E HN 0.746 nan 8.360 nan 0.000 0.533 477 H N -0.823 118.235 119.070 -0.020 0.000 2.535 477 H HA -0.000 4.556 4.556 -0.000 0.000 0.273 477 H C 1.785 177.117 175.328 0.007 0.000 0.983 477 H CA 0.290 56.333 56.048 -0.009 0.000 1.238 477 H CB -0.373 29.386 29.762 -0.005 0.000 1.412 477 H HN 0.225 nan 8.280 nan 0.000 0.562 478 L N 1.058 121.914 121.223 -0.612 0.000 2.456 478 L HA -0.071 4.269 4.340 -0.000 0.000 0.224 478 L C 1.409 178.223 176.870 -0.093 0.000 1.148 478 L CA 0.489 55.028 54.840 -0.502 0.000 0.825 478 L CB -0.455 41.268 42.059 -0.559 0.000 0.937 478 L HN 0.323 nan 8.230 nan 0.000 0.450 479 N N 0.947 119.600 118.700 -0.079 0.000 3.193 479 N HA 0.010 4.750 4.740 -0.000 0.000 0.312 479 N C -0.464 175.034 175.510 -0.019 0.000 1.261 479 N CA -0.042 52.966 53.050 -0.071 0.000 1.208 479 N CB 0.173 38.513 38.487 -0.244 0.000 1.471 479 N HN 0.244 nan 8.380 nan 0.000 0.548 480 S N -0.964 114.819 115.700 0.138 0.000 2.643 480 S HA 0.283 4.753 4.470 -0.000 0.000 0.270 480 S C -0.604 174.053 174.600 0.094 0.000 1.166 480 S CA -0.909 57.358 58.200 0.112 0.000 0.815 480 S CB 1.207 64.463 63.200 0.094 0.000 1.139 480 S HN -0.081 nan 8.310 nan 0.000 0.472 481 V N 2.317 122.145 119.914 -0.143 0.000 2.572 481 V HA 0.329 4.449 4.120 -0.000 0.000 0.291 481 V C -2.229 173.427 176.094 -0.729 0.000 1.039 481 V CA -1.185 60.764 62.300 -0.584 0.000 1.055 481 V CB 0.141 31.738 31.823 -0.377 0.000 0.969 481 V HN 0.745 nan 8.190 nan 0.000 0.482 482 P HA 0.165 nan 4.420 nan 0.000 0.266 482 P C -2.594 174.363 177.300 -0.572 0.000 1.195 482 P CA -0.980 61.484 63.100 -1.059 0.000 0.768 482 P CB -0.133 31.165 31.700 -0.670 0.000 0.838 483 P HA -0.079 nan 4.420 nan 0.000 0.261 483 P C 1.091 178.302 177.300 -0.147 0.000 1.203 483 P CA 0.280 63.249 63.100 -0.218 0.000 0.767 483 P CB 0.234 31.849 31.700 -0.141 0.000 0.785 484 V N 2.847 122.698 119.914 -0.105 0.000 2.548 484 V HA -0.206 3.914 4.120 -0.000 0.000 0.249 484 V C 1.879 178.047 176.094 0.124 0.000 1.055 484 V CA 1.217 63.508 62.300 -0.015 0.000 1.065 484 V CB -0.976 30.800 31.823 -0.078 0.000 0.681 484 V HN 0.311 nan 8.190 nan 0.000 0.462 485 K N 1.371 121.806 120.400 0.058 0.000 2.032 485 K HA -0.167 4.153 4.320 -0.000 0.000 0.218 485 K C 0.508 177.145 176.600 0.062 0.000 1.054 485 K CA 2.494 58.840 56.287 0.097 0.000 0.941 485 K CB -2.165 30.351 32.500 0.027 0.000 0.720 485 K HN 0.496 nan 8.250 nan 0.000 0.449 486 P HA 0.016 nan 4.420 nan 0.000 0.229 486 P C 0.392 177.634 177.300 -0.096 0.000 1.160 486 P CA 0.586 63.646 63.100 -0.067 0.000 0.777 486 P CB 0.138 31.780 31.700 -0.098 0.000 0.814 487 L N -0.615 120.581 121.223 -0.045 0.000 2.421 487 L HA 0.312 4.652 4.340 -0.000 0.000 0.263 487 L C 1.180 177.979 176.870 -0.118 0.000 1.122 487 L CA -1.135 53.683 54.840 -0.036 0.000 0.804 487 L CB 0.517 42.599 42.059 0.038 0.000 1.150 487 L HN -0.139 nan 8.230 nan 0.000 0.457 488 R N 0.536 120.982 120.500 -0.090 0.000 2.734 488 R HA 0.143 4.483 4.340 -0.000 0.000 0.266 488 R C -0.940 175.353 176.300 -0.013 0.000 1.044 488 R CA -0.096 55.907 56.100 -0.161 0.000 1.128 488 R CB 0.420 30.698 30.300 -0.038 0.000 1.010 488 R HN 0.538 nan 8.270 nan 0.000 0.461 489 H N 0.000 119.075 119.070 0.009 0.000 2.539 489 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 489 H CA 0.000 56.053 56.048 0.009 0.000 1.023 489 H CB 0.000 29.763 29.762 0.002 0.000 1.292 489 H HN 0.000 nan 8.280 nan 0.000 0.496