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_A 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 -0.284 0.000 0.962 2 Y CA -0.493 57.365 58.100 -0.404 0.000 1.167 2 Y CB 2.317 40.319 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 -1.016 173.452 174.600 -0.221 0.000 1.146 3 S CA -0.567 57.608 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 1.298 121.298 119.950 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 39.360 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 0.334 177.733 177.300 0.164 0.000 1.211 5 P CA 0.070 63.241 63.100 0.118 0.000 0.781 5 P CB 0.601 32.360 31.700 0.099 0.000 0.877 6 N N -0.015 118.746 118.700 0.102 0.000 2.309 6 N HA -0.097 4.643 4.740 -0.000 0.000 0.182 6 N C 1.147 176.704 175.510 0.079 0.000 1.018 6 N CA 1.298 54.404 53.050 0.095 0.000 0.876 6 N CB -0.270 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 -0.038 115.692 115.700 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 -0.459 57.729 58.200 -0.020 0.000 0.914 7 S CB -0.414 62.750 63.200 -0.061 0.000 0.776 7 S HN 0.215 nan 8.310 nan 0.000 0.526 8 F N 3.313 123.202 119.950 -0.102 0.000 2.484 8 F HA 0.461 4.987 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 4.799 124.953 120.500 -0.577 0.000 2.711 9 R HA 0.491 4.831 4.340 -0.000 0.000 0.284 9 R C -1.715 174.345 176.300 -0.399 0.000 0.968 9 R CA -0.869 55.055 56.100 -0.293 0.000 0.924 9 R CB 1.505 31.666 30.300 -0.231 0.000 1.162 9 R HN 0.555 nan 8.270 nan 0.000 0.465 10 F N 0.381 120.365 119.950 0.056 0.000 2.458 10 F HA 0.651 5.178 4.527 -0.000 0.000 0.336 10 F C 0.880 176.785 175.800 0.174 0.000 1.114 10 F CA 0.068 58.161 58.000 0.155 0.000 0.987 10 F CB 2.259 41.295 39.000 0.060 0.000 1.130 10 F HN 0.664 nan 8.300 nan 0.000 0.458 11 G N 1.822 110.914 108.800 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 -0.569 120.835 121.300 0.173 0.000 3.038 12 W HA 0.849 5.509 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 -1.415 173.032 174.600 -0.255 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 0.004 119.720 119.800 -0.139 0.000 2.578 14 Q HA 0.677 5.017 4.340 -0.000 0.000 0.284 14 Q C -2.180 173.845 176.000 0.041 0.000 0.960 14 Q CA -0.689 55.019 55.803 -0.159 0.000 0.809 14 Q CB 1.689 30.366 28.738 -0.101 0.000 1.462 14 Q HN 0.824 nan 8.270 nan 0.000 0.392 15 A N 0.293 123.132 122.820 0.031 0.000 2.423 15 A HA 0.765 5.085 4.320 -0.000 0.000 0.304 15 A C 0.485 178.082 177.584 0.020 0.000 1.104 15 A CA 0.062 51.995 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 -0.155 108.726 108.800 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 1.258 176.280 174.900 0.204 0.000 1.188 16 G CA 1.412 46.673 45.100 0.268 0.000 0.783 16 G HN 0.706 nan 8.290 nan 0.000 0.537 17 F N 1.765 121.740 119.950 0.041 0.000 2.126 17 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 17 F C 3.014 178.697 175.800 -0.196 0.000 1.096 17 F CA 1.981 59.949 58.000 -0.054 0.000 1.255 17 F CB -0.142 38.834 39.000 -0.041 0.000 0.997 17 F HN 0.231 nan 8.300 nan 0.000 0.479 18 Q N -1.177 118.482 119.800 -0.235 0.000 2.123 18 Q HA -0.088 4.252 4.340 -0.000 0.000 0.199 18 Q C 1.977 177.963 176.000 -0.023 0.000 0.966 18 Q CA 1.713 57.377 55.803 -0.233 0.000 0.845 18 Q CB -0.190 28.439 28.738 -0.181 0.000 0.907 18 Q HN 0.328 nan 8.270 nan 0.000 0.439 19 S N -0.075 115.645 115.700 0.033 0.000 2.554 19 S HA 0.057 4.526 4.470 -0.000 0.000 0.227 19 S C 1.412 176.108 174.600 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 1.516 121.821 120.200 0.176 0.000 2.031 20 E HA -0.002 4.348 4.350 -0.000 0.000 0.193 20 E C 0.385 177.076 176.600 0.152 0.000 0.994 20 E CA 0.781 57.334 56.400 0.255 0.000 0.800 20 E CB -0.109 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 -0.779 118.831 119.600 0.017 0.000 2.226 21 M HA 0.140 4.620 4.480 -0.000 0.000 0.324 21 M C 1.009 177.346 176.300 0.061 0.000 1.112 21 M CA 1.068 56.361 55.300 -0.011 0.000 1.176 21 M CB 1.056 33.605 32.600 -0.084 0.000 1.430 21 M HN 0.367 nan 8.290 nan 0.000 0.462 22 G N -0.046 108.795 108.800 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 -2.206 172.552 174.700 0.096 0.000 0.980 23 T CA -1.418 60.750 62.100 0.113 0.000 1.091 23 T CB 2.036 70.991 68.868 0.145 0.000 0.936 23 T HN 0.304 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 0.807 63.945 63.100 0.062 0.000 0.761 24 P CB 0.138 31.871 31.700 0.056 0.000 0.794 25 G N 2.566 111.391 108.800 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 0.621 175.520 174.900 -0.001 0.000 1.008 25 G CA 0.433 45.551 45.100 0.029 0.000 0.724 25 G HN 0.753 nan 8.290 nan 0.000 0.514 26 S N -1.338 114.336 115.700 -0.043 0.000 2.539 26 S HA 0.425 4.895 4.470 -0.000 0.000 0.221 26 S C 0.504 174.904 174.600 -0.333 0.000 0.987 26 S CA 0.430 58.485 58.200 -0.241 0.000 0.929 26 S CB 0.770 63.931 63.200 -0.065 0.000 0.832 26 S HN 0.415 nan 8.310 nan 0.000 0.492 27 E N 2.430 122.524 120.200 -0.176 0.000 2.437 27 E HA 0.383 4.733 4.350 -0.000 0.000 0.263 27 E C -0.528 175.924 176.600 -0.246 0.000 1.030 27 E CA 0.390 56.700 56.400 -0.151 0.000 0.934 27 E CB 0.280 29.937 29.700 -0.073 0.000 0.943 27 E HN 0.293 nan 8.360 nan 0.000 0.444 28 D N 2.273 122.518 120.400 -0.257 0.000 2.336 28 D HA 0.192 4.832 4.640 -0.000 0.000 0.248 28 D C -2.375 173.645 176.300 -0.468 0.000 1.326 28 D CA -1.963 51.879 54.000 -0.263 0.000 0.973 28 D CB 1.187 41.899 40.800 -0.146 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 -0.460 176.618 177.300 -0.371 0.000 1.530 29 P CA -0.115 62.342 63.100 -1.072 0.000 1.022 29 P CB -0.168 31.012 31.700 -0.868 0.000 1.514 30 N N 0.208 118.810 118.700 -0.165 0.000 2.380 30 N HA 0.081 4.821 4.740 -0.000 0.000 0.255 30 N C 0.030 175.546 175.510 0.011 0.000 1.158 30 N CA -0.055 52.978 53.050 -0.029 0.000 0.878 30 N CB 0.373 38.873 38.487 0.022 0.000 1.138 30 N HN 0.164 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 0.756 175.504 174.700 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 -0.169 120.221 120.400 -0.017 0.000 2.178 32 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 32 D C 1.370 177.632 176.300 -0.063 0.000 0.980 32 D CA 0.994 54.908 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 0.006 121.255 121.300 -0.085 0.000 2.379 33 W HA -0.067 4.593 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 0.715 58.012 57.345 -0.080 0.000 1.297 33 W CB -0.716 28.409 29.460 -0.559 0.000 1.140 33 W HN -0.031 nan 8.180 nan 0.000 0.507 34 Y N 1.372 121.928 120.300 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 2.258 60.695 58.100 0.561 0.000 1.182 34 Y CB -0.410 38.293 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 31.799 32.500 0.192 0.000 0.717 35 K HN 0.584 nan 8.250 nan 0.000 0.438 36 W N 1.946 123.240 121.300 -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 2.135 59.414 57.345 -0.110 0.000 1.266 36 W CB -0.063 29.178 29.460 -0.364 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 1.209 177.244 176.094 -0.099 0.000 1.135 37 V CA 1.883 64.257 62.300 0.124 0.000 1.142 37 V CB -1.015 31.007 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 0.334 4.890 4.556 -0.000 0.000 0.273 38 H C 0.457 175.734 175.328 -0.085 0.000 0.997 38 H CA 0.034 56.024 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 1.171 121.557 120.400 -0.022 0.000 2.434 39 D HA -0.026 4.614 4.640 -0.000 0.000 0.252 39 D C -1.511 174.721 176.300 -0.112 0.000 1.185 39 D CA -1.399 52.546 54.000 -0.091 0.000 0.886 39 D CB 1.250 41.920 40.800 -0.215 0.000 1.148 39 D HN 0.062 nan 8.370 nan 0.000 0.483 40 P HA -0.125 nan 4.420 nan 0.000 0.218 40 P C 0.585 177.830 177.300 -0.090 0.000 1.149 40 P CA 1.075 64.136 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 -0.928 119.204 120.200 -0.115 0.000 2.072 41 E HA -0.117 4.232 4.350 -0.000 0.000 0.190 41 E C 1.739 178.236 176.600 -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 -0.089 119.409 119.600 -0.169 0.000 2.132 43 M HA -0.016 4.464 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 1.284 56.520 55.300 -0.106 0.000 1.122 43 M CB -0.136 32.413 32.600 -0.086 0.000 1.365 43 M HN 0.131 nan 8.290 nan 0.000 0.411 44 A N 0.126 122.901 122.820 -0.074 0.000 1.969 44 A HA 0.024 4.344 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 1.701 53.707 52.037 -0.052 0.000 0.635 44 A CB -0.741 18.230 19.000 -0.048 0.000 0.810 44 A HN 0.499 nan 8.150 nan 0.000 0.445 45 A N -1.687 121.094 122.820 -0.064 0.000 2.208 45 A HA 0.399 4.719 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 -0.930 18.033 19.000 -0.063 0.000 0.816 45 A HN 1.863 nan 8.150 nan 0.000 0.477 46 G N -0.986 107.793 108.800 -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 0.678 175.583 174.900 0.009 0.000 1.008 46 G CA 0.526 45.620 45.100 -0.011 0.000 0.724 46 G HN 0.438 nan 8.290 nan 0.000 0.514 47 L N -0.724 120.490 121.223 -0.015 0.000 2.240 47 L HA 0.224 4.564 4.340 -0.000 0.000 0.211 47 L C 1.535 178.463 176.870 0.097 0.000 1.106 47 L CA 1.355 56.217 54.840 0.036 0.000 0.793 47 L CB 0.008 42.052 42.059 -0.026 0.000 0.927 47 L HN 0.497 nan 8.230 nan 0.000 0.446 48 V N -5.004 114.928 119.914 0.030 0.000 2.823 48 V HA 0.349 4.469 4.120 -0.000 0.000 0.312 48 V C 1.059 177.174 176.094 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 33.459 31.823 0.044 0.000 1.013 48 V HN 0.150 nan 8.190 nan 0.000 0.430 49 S N 1.853 117.574 115.700 0.036 0.000 2.400 49 S HA 0.097 4.566 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 1.841 60.034 58.200 -0.011 0.000 0.993 49 S CB -0.525 62.634 63.200 -0.067 0.000 0.808 49 S HN 2.828 nan 8.310 nan 0.000 0.478 50 G N 0.388 109.165 108.800 -0.039 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 0.823 121.181 120.400 -0.070 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 -0.071 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 3.861 125.009 121.223 -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 -1.893 52.765 54.840 -0.302 0.000 0.810 52 L CB 1.870 43.769 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 -0.259 0.000 1.148 53 P CA 0.974 63.532 63.100 -0.903 0.000 0.822 53 P CB 0.264 31.239 31.700 -1.208 0.000 0.784 54 E N -0.297 119.851 120.200 -0.087 0.000 2.284 54 E HA -0.192 4.158 4.350 -0.000 0.000 0.200 54 E C 0.408 177.043 176.600 0.060 0.000 1.008 54 E CA 1.170 57.598 56.400 0.047 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 0.049 118.809 118.700 0.100 0.000 2.389 55 N HA 0.202 4.942 4.740 -0.000 0.000 0.260 55 N C 0.201 175.692 175.510 -0.033 0.000 1.191 55 N CA -0.038 53.056 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 1.314 110.168 108.800 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 -1.318 173.738 174.900 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 -0.024 nan 4.420 nan 0.000 0.216 57 P C 1.085 178.568 177.300 0.305 0.000 1.153 57 P CA 2.472 65.787 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 -3.340 105.603 108.800 0.238 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 0.444 175.418 174.900 0.124 0.000 1.013 58 G CA -0.013 45.199 45.100 0.187 0.000 0.689 58 G HN 0.277 nan 8.290 nan 0.000 0.506 59 Y N -0.504 119.712 120.300 -0.141 0.000 2.639 59 Y HA 0.086 4.636 4.550 -0.000 0.000 0.297 59 Y C 2.077 177.984 175.900 0.012 0.000 1.151 59 Y CA 1.609 59.468 58.100 -0.401 0.000 1.335 59 Y CB -0.013 38.143 38.460 -0.507 0.000 0.994 59 Y HN 0.560 nan 8.280 nan 0.000 0.548 60 W N -0.118 121.124 121.300 -0.097 0.000 2.481 60 W HA 0.004 4.664 4.660 -0.000 0.000 0.293 60 W C 1.818 178.372 176.519 0.057 0.000 1.201 60 W CA 1.543 58.807 57.345 -0.134 0.000 1.328 60 W CB -0.396 28.957 29.460 -0.179 0.000 1.112 60 W HN 0.175 nan 8.180 nan 0.000 0.546 61 G N -0.139 108.763 108.800 0.169 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 0.143 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 1.135 176.613 175.510 -0.054 0.000 1.130 62 N CA -0.373 52.676 53.050 -0.002 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 0.026 120.162 120.300 -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 -0.275 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 0.494 120.626 120.400 -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 2.042 58.240 56.287 -0.147 0.000 0.930 64 K CB -0.424 31.893 32.500 -0.304 0.000 0.714 64 K HN 0.331 nan 8.250 nan 0.000 0.438 65 T N 1.055 115.640 114.554 0.050 0.000 2.720 65 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 65 T C 1.580 176.375 174.700 0.157 0.000 1.037 65 T CA 1.418 63.577 62.100 0.098 0.000 1.144 65 T CB -0.342 68.587 68.868 0.101 0.000 0.864 65 T HN 0.053 nan 8.240 nan 0.000 0.444 66 F N 1.166 121.094 119.950 -0.035 0.000 2.134 66 F HA -0.052 4.475 4.527 -0.000 0.000 0.299 66 F C 2.339 178.069 175.800 -0.117 0.000 1.097 66 F CA 1.048 58.994 58.000 -0.089 0.000 1.264 66 F CB -0.825 38.178 39.000 0.005 0.000 1.001 66 F HN 0.378 nan 8.300 nan 0.000 0.479 67 H N -1.401 117.868 119.070 0.332 0.000 2.462 67 H HA -0.089 4.467 4.556 -0.000 0.000 0.292 67 H C 1.746 177.152 175.328 0.130 0.000 1.049 67 H CA 1.040 57.238 56.048 0.250 0.000 1.334 67 H CB -0.115 29.813 29.762 0.276 0.000 1.404 67 H HN 0.077 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 1.808 178.178 176.300 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 0.330 nan 8.370 nan 0.000 0.451 69 N N 0.580 119.331 118.700 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 0.115 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 1.045 123.809 122.820 -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 0.997 52.934 52.037 -0.167 0.000 0.635 70 A CB -0.397 18.430 19.000 -0.288 0.000 0.810 70 A HN 0.277 nan 8.150 nan 0.000 0.445 71 Q N -0.344 119.523 119.800 0.110 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 1.512 57.388 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 0.073 120.564 120.400 0.151 0.000 2.113 72 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 72 K C 1.887 178.636 176.600 0.250 0.000 1.047 72 K CA 1.427 57.831 56.287 0.196 0.000 0.928 72 K CB -0.109 32.553 32.500 0.271 0.000 0.716 72 K HN 0.268 nan 8.250 nan 0.000 0.446 73 M N -0.570 119.168 119.600 0.230 0.000 2.619 73 M HA -0.001 4.479 4.480 -0.000 0.000 0.251 73 M C 0.712 177.021 176.300 0.015 0.000 1.106 73 M CA 0.836 56.208 55.300 0.120 0.000 1.086 73 M CB 0.331 32.883 32.600 -0.080 0.000 1.465 73 M HN 0.452 nan 8.290 nan 0.000 0.506 74 G N 1.852 110.680 108.800 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 -0.159 174.764 174.900 0.038 0.000 1.042 74 G CA -0.338 44.785 45.100 0.038 0.000 0.775 74 G HN 0.393 nan 8.290 nan 0.000 0.501 75 L N -0.951 120.312 121.223 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 -0.187 54.741 54.840 0.147 0.000 0.816 75 L CB 1.102 43.300 42.059 0.233 0.000 1.129 75 L HN 0.138 nan 8.230 nan 0.000 0.448 76 K N 3.421 123.945 120.400 0.207 0.000 2.469 76 K HA 0.448 4.767 4.320 -0.000 0.000 0.204 76 K C -0.534 176.163 176.600 0.162 0.000 1.047 76 K CA -0.018 56.371 56.287 0.169 0.000 1.072 76 K CB 1.170 33.740 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 -0.808 60.560 61.300 0.114 0.000 1.029 77 I CB 1.978 40.014 38.000 0.060 0.000 1.282 77 I HN -0.006 nan 8.210 nan 0.000 0.426 78 A N 6.829 129.543 122.820 -0.176 0.000 2.475 78 A HA 0.800 5.120 4.320 -0.000 0.000 0.301 78 A C -1.320 176.067 177.584 -0.328 0.000 1.059 78 A CA -0.692 50.980 52.037 -0.609 0.000 0.710 78 A CB 1.918 20.358 19.000 -0.932 0.000 1.288 78 A HN 0.700 nan 8.150 nan 0.000 0.408 79 R N 2.780 123.034 120.500 -0.409 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 -0.142 0.000 1.183 79 R CA -0.373 55.614 56.100 -0.189 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 -0.031 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 -1.656 117.151 118.700 0.179 0.000 2.416 81 N HA 0.366 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 1.801 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 0.293 116.133 115.700 0.233 0.000 2.554 82 S HA 0.230 4.700 4.470 -0.000 0.000 0.278 82 S C -0.452 174.390 174.600 0.404 0.000 1.242 82 S CA -0.582 57.675 58.200 0.095 0.000 1.051 82 S CB 0.758 63.956 63.200 -0.004 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 0.506 0.000 2.105 83 E HA 0.016 4.366 4.350 -0.000 0.000 0.285 83 E C 0.421 177.361 176.600 0.566 0.000 1.055 83 E CA -0.283 56.441 56.400 0.540 0.000 0.843 83 E CB 0.444 30.434 29.700 0.483 0.000 1.067 83 E HN 0.772 nan 8.360 nan 0.000 0.398 84 W N 4.099 125.559 121.300 0.267 0.000 2.290 84 W HA -0.283 4.377 4.660 -0.000 0.000 0.318 84 W C 1.778 178.349 176.519 0.086 0.000 1.248 84 W CA 2.404 59.701 57.345 -0.080 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 -0.028 115.871 115.700 0.332 0.000 2.547 85 S HA -0.087 4.383 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 0.976 59.302 58.200 0.210 0.000 0.941 85 S CB -0.409 62.856 63.200 0.108 0.000 0.763 85 S HN 0.382 nan 8.310 nan 0.000 0.532 86 R N 0.283 120.964 120.500 0.302 0.000 2.127 86 R HA 0.155 4.495 4.340 -0.000 0.000 0.217 86 R C 2.419 178.877 176.300 0.263 0.000 1.074 86 R CA 0.872 57.119 56.100 0.246 0.000 0.991 86 R CB -0.229 30.238 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 -0.093 0.000 0.978 87 Q CA 1.370 57.180 55.803 0.012 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 0.968 121.227 119.950 0.516 0.000 2.334 88 F HA 0.304 4.831 4.527 -0.000 0.000 0.343 88 F C -1.725 174.361 175.800 0.476 0.000 1.136 88 F CA -2.576 55.707 58.000 0.473 0.000 1.237 88 F CB 1.062 40.439 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 -0.414 177.084 177.300 0.330 0.000 1.177 89 P CA 0.676 63.995 63.100 0.366 0.000 0.773 89 P CB 0.411 32.235 31.700 0.206 0.000 0.878 90 N N 0.138 118.930 118.700 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 -0.199 0.000 0.817 90 N CB 0.790 39.228 38.487 -0.080 0.000 1.294 90 N HN -0.157 nan 8.380 nan 0.000 0.497 91 P HA 0.010 nan 4.420 nan 0.000 0.266 91 P C -0.772 175.833 177.300 -1.157 0.000 1.193 91 P CA 0.322 62.416 63.100 -1.677 0.000 0.770 91 P CB 0.636 31.860 31.700 -0.794 0.000 0.836 92 L N 4.261 124.759 121.223 -1.209 0.000 2.352 92 L HA 0.475 4.815 4.340 -0.000 0.000 0.269 92 L C -1.769 174.738 176.870 -0.605 0.000 1.034 92 L CA -2.244 52.073 54.840 -0.871 0.000 0.806 92 L CB 1.010 42.690 42.059 -0.631 0.000 1.244 92 L HN 0.281 nan 8.230 nan 0.000 0.447 93 P HA 0.047 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 -0.293 62.615 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 4.424 124.847 120.500 -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 0.027 nan 4.420 nan 0.000 0.277 95 P C -1.065 176.170 177.300 -0.108 0.000 1.354 95 P CA -0.566 62.448 63.100 -0.143 0.000 0.891 95 P CB 1.006 32.505 31.700 -0.336 0.000 1.058 96 Q N 2.781 122.561 119.800 -0.035 0.000 2.714 96 Q HA -0.146 4.194 4.340 -0.000 0.000 0.269 96 Q C 0.759 176.764 176.000 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 0.673 nan 8.270 nan 0.000 0.537 97 N N -1.079 117.631 118.700 0.016 0.000 2.669 97 N HA -0.260 4.480 4.740 -0.000 0.000 0.266 97 N C -1.336 174.225 175.510 0.085 0.000 1.024 97 N CA 0.563 53.637 53.050 0.039 0.000 0.766 97 N CB -1.565 36.957 38.487 0.058 0.000 0.898 97 N HN 0.564 nan 8.380 nan 0.000 0.548 98 F N 1.248 121.106 119.950 -0.154 0.000 3.055 98 F HA 0.281 4.808 4.527 -0.000 0.000 0.358 98 F C -1.706 174.007 175.800 -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 39.868 39.000 -0.588 0.000 1.503 98 F HN 0.128 nan 8.300 nan 0.000 0.621 99 D N 4.969 124.945 120.400 -0.708 0.000 2.428 99 D HA 0.166 4.806 4.640 -0.000 0.000 0.221 99 D C 1.090 176.886 176.300 -0.839 0.000 1.123 99 D CA 0.185 53.806 54.000 -0.633 0.000 0.869 99 D CB 0.943 41.569 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 -0.925 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 1.258 57.324 56.400 -0.556 0.000 0.810 100 E CB 0.007 29.550 29.700 -0.262 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 58.242 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 2.587 122.922 120.400 -0.108 0.000 2.316 102 K HA 0.225 4.545 4.320 -0.000 0.000 0.289 102 K C 1.091 177.717 176.600 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 33.424 32.500 -0.030 0.000 1.039 102 K HN 0.422 nan 8.250 nan 0.000 0.480 103 Q N 1.963 121.795 119.800 0.054 0.000 2.020 103 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 103 Q C -0.482 175.651 176.000 0.220 0.000 0.982 103 Q CA 1.566 57.432 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 -0.333 120.184 120.400 0.194 0.000 2.283 104 D HA 0.273 4.913 4.640 -0.000 0.000 0.248 104 D C -1.175 175.224 176.300 0.165 0.000 1.072 104 D CA -0.238 53.882 54.000 0.199 0.000 0.929 104 D CB 1.963 42.858 40.800 0.158 0.000 1.182 104 D HN -0.068 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 1.075 177.215 176.094 0.076 0.000 1.021 105 V CA -0.449 61.944 62.300 0.154 0.000 0.813 105 V CB 0.814 32.748 31.823 0.186 0.000 1.054 105 V HN 0.734 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 0.427 175.140 174.700 0.022 0.000 1.127 106 T CA 0.633 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 -0.708 119.518 120.200 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 1.324 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 -0.771 175.231 176.094 -0.153 0.000 1.099 108 V CA -0.859 61.296 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 5.564 125.722 120.200 -0.069 0.000 2.105 109 E HA 0.557 4.907 4.350 -0.000 0.000 0.285 109 E C -1.131 175.415 176.600 -0.089 0.000 1.055 109 E CA -0.445 55.931 56.400 -0.041 0.000 0.843 109 E CB 1.065 30.781 29.700 0.027 0.000 1.067 109 E HN 0.439 nan 8.360 nan 0.000 0.398 110 I N 3.694 124.196 120.570 -0.114 0.000 2.466 110 I HA 0.368 4.538 4.170 -0.000 0.000 0.289 110 I C -0.700 175.339 176.117 -0.130 0.000 1.026 110 I CA -0.957 60.260 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 2.581 121.194 118.700 -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 -0.142 0.000 0.858 111 N CB 1.200 39.634 38.487 -0.090 0.000 1.459 111 N HN 0.430 nan 8.380 nan 0.000 0.532 112 E N -0.751 119.330 120.200 -0.198 0.000 2.204 112 E HA -0.136 4.214 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 1.148 57.387 56.400 -0.268 0.000 0.821 112 E CB -0.051 29.564 29.700 -0.143 0.000 0.750 112 E HN 0.449 nan 8.360 nan 0.000 0.477 113 N N 0.624 119.243 118.700 -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 0.755 53.753 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 1.338 121.468 120.200 -0.116 0.000 2.033 114 E HA -0.147 4.203 4.350 -0.000 0.000 0.199 114 E C 2.269 178.782 176.600 -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 0.865 121.912 121.223 -0.293 0.000 2.012 115 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 115 L C 2.553 179.265 176.870 -0.263 0.000 1.073 115 L CA 1.308 55.899 54.840 -0.416 0.000 0.748 115 L CB -0.627 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 0.174 120.408 120.400 -0.276 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 1.337 57.615 56.287 -0.015 0.000 0.933 116 K CB -0.305 32.193 32.500 -0.004 0.000 0.721 116 K HN 0.306 nan 8.250 nan 0.000 0.447 117 R N 0.897 121.398 120.500 0.001 0.000 2.090 117 R HA 0.010 4.350 4.340 -0.000 0.000 0.228 117 R C 2.390 178.741 176.300 0.086 0.000 1.110 117 R CA 0.603 56.725 56.100 0.035 0.000 0.973 117 R CB -0.121 30.211 30.300 0.053 0.000 0.869 117 R HN 0.059 nan 8.270 nan 0.000 0.440 118 L N 0.729 121.991 121.223 0.065 0.000 2.083 118 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 118 L C 2.151 179.083 176.870 0.103 0.000 1.083 118 L CA 1.165 56.022 54.840 0.027 0.000 0.752 118 L CB -0.494 41.421 42.059 -0.239 0.000 0.899 118 L HN 0.283 nan 8.230 nan 0.000 0.433 119 D N 0.241 120.760 120.400 0.199 0.000 2.265 119 D HA -0.192 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 1.020 55.233 54.000 0.354 0.000 0.871 119 D CB 0.181 41.272 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 1.643 178.039 176.600 -0.340 0.000 0.985 120 E CA 0.723 56.965 56.400 -0.263 0.000 0.814 120 E CB 0.003 29.384 29.700 -0.532 0.000 0.752 120 E HN 0.462 nan 8.360 nan 0.000 0.466 121 Y N 0.583 120.963 120.300 0.132 0.000 2.347 121 Y HA 0.217 4.766 4.550 -0.000 0.000 0.294 121 Y C 1.250 177.356 175.900 0.343 0.000 1.117 121 Y CA -0.007 58.196 58.100 0.173 0.000 1.184 121 Y CB -0.331 38.170 38.460 0.068 0.000 1.047 121 Y HN -0.128 nan 8.280 nan 0.000 0.546 122 A N 1.439 124.609 122.820 0.582 0.000 2.555 122 A HA -0.064 4.256 4.320 -0.000 0.000 0.233 122 A C 0.339 178.062 177.584 0.231 0.000 1.060 122 A CA -0.033 52.218 52.037 0.357 0.000 0.759 122 A CB -0.238 18.936 19.000 0.290 0.000 0.995 122 A HN 0.380 nan 8.150 nan 0.000 0.506 123 N N 1.273 120.071 118.700 0.162 0.000 2.482 123 N HA 0.076 4.816 4.740 -0.000 0.000 0.242 123 N C 0.848 176.457 175.510 0.166 0.000 1.100 123 N CA -0.287 52.862 53.050 0.165 0.000 0.946 123 N CB 0.531 39.117 38.487 0.165 0.000 1.227 123 N HN 0.474 nan 8.380 nan 0.000 0.508 124 K N 2.143 122.631 120.400 0.146 0.000 2.127 124 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 124 K C 0.615 177.295 176.600 0.134 0.000 1.047 124 K CA 1.353 57.717 56.287 0.128 0.000 0.927 124 K CB -0.031 32.526 32.500 0.095 0.000 0.716 124 K HN 0.576 nan 8.250 nan 0.000 0.450 125 D N 0.358 120.841 120.400 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 1.664 55.756 54.000 0.154 0.000 0.827 125 D CB -0.377 40.510 40.800 0.144 0.000 0.975 125 D HN 0.148 nan 8.370 nan 0.000 0.451 126 A N 0.754 123.730 122.820 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 53.607 52.037 0.376 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 0.224 121.657 121.223 0.350 0.000 2.046 127 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 127 L C 1.985 179.008 176.870 0.254 0.000 1.077 127 L CA 2.344 57.389 54.840 0.341 0.000 0.747 127 L CB -0.901 41.274 42.059 0.193 0.000 0.896 127 L HN 0.535 nan 8.230 nan 0.000 0.432 128 N N -2.466 116.325 118.700 0.152 0.000 2.171 128 N HA -0.194 4.546 4.740 -0.000 0.000 0.184 128 N C 1.881 177.381 175.510 -0.017 0.000 1.021 128 N CA 0.699 53.785 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 0.386 nan 8.380 nan 0.000 0.426 129 H N 0.012 119.001 119.070 -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 1.653 57.436 56.048 -0.441 0.000 1.327 129 H CB -0.035 29.349 29.762 -0.630 0.000 1.383 129 H HN 0.292 nan 8.280 nan 0.000 0.508 130 Y N 1.041 121.185 120.300 -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 1.844 59.573 58.100 -0.619 0.000 1.148 130 Y CB -0.463 37.734 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 1.927 178.133 176.300 -0.157 0.000 1.142 131 R CA 2.115 58.236 56.100 0.035 0.000 0.960 131 R CB -0.299 30.089 30.300 0.147 0.000 0.858 131 R HN 0.415 nan 8.270 nan 0.000 0.439 132 E N 0.290 120.323 120.200 -0.278 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 1.697 57.916 56.400 -0.302 0.000 0.799 132 E CB -0.169 29.285 29.700 -0.410 0.000 0.748 132 E HN 0.432 nan 8.360 nan 0.000 0.449 133 I N 0.668 120.842 120.570 -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 1.113 62.029 61.300 -0.640 0.000 1.324 133 I CB -0.329 37.162 38.000 -0.848 0.000 1.037 133 I HN 0.059 nan 8.210 nan 0.000 0.401 134 F N 1.126 120.928 119.950 -0.247 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 0.818 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 1.387 57.653 56.287 -0.034 0.000 0.937 135 K CB -0.397 32.081 32.500 -0.037 0.000 0.720 135 K HN 0.102 nan 8.250 nan 0.000 0.438 136 D N 1.056 121.403 120.400 -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 -0.251 0.000 0.995 136 D CA 1.080 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 2.367 179.099 176.870 -0.229 0.000 1.071 137 L CA 1.674 56.229 54.840 -0.475 0.000 0.745 137 L CB -0.448 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 0.052 120.337 120.400 -0.192 0.000 2.152 138 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 138 K C 2.287 178.859 176.600 -0.047 0.000 1.048 138 K CA 1.512 57.742 56.287 -0.096 0.000 0.933 138 K CB -0.465 32.000 32.500 -0.059 0.000 0.721 138 K HN 0.701 nan 8.250 nan 0.000 0.447 139 S N 1.270 116.938 115.700 -0.053 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 0.546 58.731 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 1.806 122.300 120.500 -0.011 0.000 2.211 140 R HA -0.008 4.332 4.340 -0.000 0.000 0.240 140 R C 1.859 178.186 176.300 0.045 0.000 1.144 140 R CA 1.000 57.117 56.100 0.028 0.000 0.992 140 R CB -1.604 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 0.045 108.866 108.800 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 44.794 45.100 0.054 0.000 0.668 141 G HN 0.163 nan 8.290 nan 0.000 0.516 142 L N 0.372 121.643 121.223 0.078 0.000 2.326 142 L HA 0.580 4.920 4.340 -0.000 0.000 0.278 142 L C 0.816 177.765 176.870 0.131 0.000 1.092 142 L CA -1.369 53.540 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 3.026 123.331 120.300 0.009 0.000 2.411 143 Y HA 0.220 4.770 4.550 -0.000 0.000 0.333 143 Y C -0.621 175.291 175.900 0.019 0.000 1.186 143 Y CA 0.029 58.126 58.100 -0.005 0.000 1.381 143 Y CB 0.645 39.084 38.460 -0.034 0.000 1.273 143 Y HN 0.376 nan 8.280 nan 0.000 0.546 144 F N 7.409 127.107 119.950 -0.420 0.000 2.507 144 F HA 0.535 5.062 4.527 -0.000 0.000 0.328 144 F C -1.502 173.989 175.800 -0.515 0.000 1.136 144 F CA -1.910 55.842 58.000 -0.414 0.000 0.930 144 F CB 0.460 39.228 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 -0.774 174.864 176.117 -0.798 0.000 0.985 145 I CA -0.808 60.147 61.300 -0.575 0.000 1.221 145 I CB 1.958 39.750 38.000 -0.346 0.000 1.366 145 I HN 0.596 nan 8.210 nan 0.000 0.467 146 Q N 5.343 124.684 119.800 -0.766 0.000 2.331 146 Q HA 0.355 4.695 4.340 -0.000 0.000 0.267 146 Q C -1.161 174.750 176.000 -0.150 0.000 1.006 146 Q CA -0.675 54.727 55.803 -0.667 0.000 0.818 146 Q CB 1.588 29.787 28.738 -0.899 0.000 1.276 146 Q HN 0.574 nan 8.270 nan 0.000 0.450 147 N N 3.996 122.674 118.700 -0.038 0.000 2.419 147 N HA 0.220 4.960 4.740 -0.000 0.000 0.277 147 N C 0.363 176.010 175.510 0.229 0.000 1.006 147 N CA -0.350 52.782 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 1.619 121.410 119.600 0.318 0.000 2.193 148 M HA 0.003 4.483 4.480 -0.000 0.000 0.265 148 M C -0.144 176.587 176.300 0.719 0.000 1.071 148 M CA 1.077 56.652 55.300 0.459 0.000 1.140 148 M CB -0.739 32.105 32.600 0.406 0.000 1.369 148 M HN 0.558 nan 8.290 nan 0.000 0.423 149 Y N 0.119 120.715 120.300 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 -1.450 56.921 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 6.592 125.581 119.070 -0.134 0.000 2.471 150 H HA 0.246 4.802 4.556 -0.000 0.000 0.234 150 H C -0.710 174.375 175.328 -0.404 0.000 1.388 150 H CA -0.194 55.642 56.048 -0.354 0.000 1.198 150 H CB -0.023 29.658 29.762 -0.135 0.000 1.714 150 H HN 0.813 nan 8.280 nan 0.000 0.536 151 W N -2.610 118.181 121.300 -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 0.423 57.474 57.345 -0.490 0.000 0.324 151 W CB -2.672 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 0.126 177.687 177.300 0.435 0.000 1.205 152 P CA 0.694 64.058 63.100 0.440 0.000 0.765 152 P CB 0.224 32.082 31.700 0.263 0.000 0.828 153 L N 5.879 127.227 121.223 0.210 0.000 2.331 153 L HA 0.525 4.865 4.340 -0.000 0.000 0.275 153 L C -2.042 174.630 176.870 -0.329 0.000 1.022 153 L CA -2.647 52.101 54.840 -0.153 0.000 0.812 153 L CB 1.743 43.634 42.059 -0.280 0.000 1.257 153 L HN 0.193 nan 8.230 nan 0.000 0.435 154 P HA 0.071 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 -0.287 62.448 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 1.666 122.740 121.223 -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 -0.092 0.000 1.076 155 L CA 1.700 56.468 54.840 -0.119 0.000 0.758 155 L CB -0.825 41.234 42.059 -0.000 0.000 0.890 155 L HN 0.606 nan 8.230 nan 0.000 0.433 156 W N -0.997 120.237 121.300 -0.111 0.000 2.632 156 W HA -0.088 4.572 4.660 -0.000 0.000 0.248 156 W C 1.281 177.713 176.519 -0.144 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 -0.707 120.213 121.223 -0.504 0.000 2.701 157 L HA 0.287 4.627 4.340 -0.000 0.000 0.238 157 L C -0.071 176.626 176.870 -0.288 0.000 1.106 157 L CA 0.352 54.885 54.840 -0.512 0.000 0.898 157 L CB 0.075 41.528 42.059 -1.009 0.000 1.188 157 L HN -0.007 nan 8.230 nan 0.000 0.508 158 H N -0.306 118.574 119.070 -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 -0.147 0.000 1.033 158 H CA -0.664 55.249 56.048 -0.225 0.000 1.443 158 H CB 1.489 31.087 29.762 -0.272 0.000 1.968 158 H HN -0.159 nan 8.280 nan 0.000 0.449 159 D N 7.433 127.895 120.400 0.103 0.000 2.427 159 D HA 0.133 4.772 4.640 -0.000 0.000 0.226 159 D C -1.670 174.580 176.300 -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 -0.127 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 0.403 63.307 63.100 -0.326 0.000 0.828 160 P CB 0.634 32.041 31.700 -0.490 0.000 0.788 161 I N 0.317 120.949 120.570 0.102 0.000 2.179 161 I HA -0.163 4.007 4.170 -0.000 0.000 0.242 161 I C 2.832 178.973 176.117 0.040 0.000 1.088 161 I CA 1.314 62.677 61.300 0.104 0.000 1.357 161 I CB -1.521 36.505 38.000 0.043 0.000 1.051 161 I HN -0.015 nan 8.210 nan 0.000 0.409 162 R N 0.524 121.022 120.500 -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 -0.142 0.000 1.136 162 R CA 1.363 57.427 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 0.786 120.624 119.914 -0.127 0.000 2.548 163 V HA -0.180 3.940 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 1.500 63.628 62.300 -0.287 0.000 1.065 163 V CB -0.647 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 4.223 4.340 -0.000 0.000 0.235 164 R C 2.256 178.667 176.300 0.183 0.000 1.127 164 R CA 1.463 57.703 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 -0.942 119.596 120.500 0.062 0.000 2.323 165 R HA 0.033 4.373 4.340 -0.000 0.000 0.198 165 R C 1.026 177.348 176.300 0.037 0.000 0.988 165 R CA 0.612 56.735 56.100 0.039 0.000 1.041 165 R CB 0.173 30.471 30.300 -0.004 0.000 0.926 165 R HN 0.506 nan 8.270 nan 0.000 0.476 166 G N 1.632 110.414 108.800 -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 -0.525 174.094 174.900 -0.468 0.000 0.984 166 G CA 0.077 45.112 45.100 -0.107 0.000 0.660 166 G HN 0.376 nan 8.290 nan 0.000 0.525 167 D N -0.068 120.011 120.400 -0.535 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 -0.588 0.000 1.121 167 D CA -0.871 52.899 54.000 -0.383 0.000 0.853 167 D CB -0.127 40.562 40.800 -0.185 0.000 1.043 167 D HN 0.066 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 1.801 177.572 175.800 -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 -0.117 0.000 1.003 168 F HN 0.287 nan 8.300 nan 0.000 0.524 169 T N -2.215 112.364 114.554 0.041 0.000 3.260 169 T HA 0.642 4.992 4.350 -0.000 0.000 0.254 169 T C 0.517 175.226 174.700 0.014 0.000 0.951 169 T CA -0.160 61.961 62.100 0.034 0.000 0.918 169 T CB -0.137 68.742 68.868 0.019 0.000 1.098 169 T HN 0.222 nan 8.240 nan 0.000 0.563 170 G N 1.205 110.013 108.800 0.013 0.000 2.827 170 G HA2 0.665 4.625 3.960 -0.000 0.000 0.296 170 G HA3 0.665 4.625 3.960 -0.000 0.000 0.296 170 G C -3.182 171.727 174.900 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 0.155 177.447 177.300 -0.014 0.000 1.222 171 P CA 0.034 63.132 63.100 -0.004 0.000 0.767 171 P CB 0.986 32.691 31.700 0.008 0.000 0.801 172 S N 1.947 117.596 115.700 -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 57.953 58.200 -0.165 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 -0.663 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 -0.600 0.000 1.295 173 G CA 0.612 45.215 45.100 -0.829 0.000 0.999 173 G HN 0.637 nan 8.290 nan 0.000 0.548 174 W N 0.861 122.056 121.300 -0.175 0.000 2.747 174 W HA 0.307 4.967 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 0.345 57.650 57.345 -0.066 0.000 1.333 174 W CB -0.266 29.196 29.460 0.003 0.000 1.139 174 W HN 0.284 nan 8.180 nan 0.000 0.662 175 L N -0.449 120.785 121.223 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 -0.228 nan 8.230 nan 0.000 0.452 176 S N -0.801 114.897 115.700 -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 -0.320 57.901 58.200 0.035 0.000 1.070 176 S CB 1.376 64.576 63.200 -0.001 0.000 1.004 176 S HN 0.310 nan 8.310 nan 0.000 0.493 177 T N 2.537 117.207 114.554 0.193 0.000 3.072 177 T HA -0.024 4.325 4.350 -0.000 0.000 0.266 177 T C 1.724 176.646 174.700 0.369 0.000 1.127 177 T CA 0.574 62.858 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 2.130 122.832 120.500 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 0.042 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 0.185 0.000 0.851 178 R HN 0.413 nan 8.270 nan 0.000 0.434 179 T N 0.102 114.643 114.554 -0.021 0.000 2.759 179 T HA -0.130 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 1.581 63.588 62.100 -0.154 0.000 1.140 179 T CB -0.375 68.162 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 0.165 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 1.545 64.025 62.300 0.301 0.000 1.024 180 V CB -0.729 31.265 31.823 0.284 0.000 0.648 180 V HN 0.455 nan 8.190 nan 0.000 0.447 181 Y N 1.171 121.441 120.300 -0.051 0.000 2.114 181 Y HA -0.214 4.336 4.550 -0.000 0.000 0.284 181 Y C 2.724 178.571 175.900 -0.090 0.000 1.143 181 Y CA 2.031 60.004 58.100 -0.213 0.000 1.135 181 Y CB -0.045 37.960 38.460 -0.760 0.000 0.980 181 Y HN 0.250 nan 8.280 nan 0.000 0.499 182 E N -0.671 119.641 120.200 0.187 0.000 2.204 182 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 182 E C 2.046 178.811 176.600 0.274 0.000 0.989 182 E CA 0.995 57.559 56.400 0.274 0.000 0.824 182 E CB -0.677 29.269 29.700 0.410 0.000 0.756 182 E HN 0.512 nan 8.360 nan 0.000 0.477 183 F N 1.935 121.981 119.950 0.160 0.000 2.113 183 F HA -0.108 4.419 4.527 -0.000 0.000 0.297 183 F C 2.310 178.081 175.800 -0.048 0.000 1.103 183 F CA 1.256 59.226 58.000 -0.050 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 -0.228 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 1.885 53.721 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 -2.159 118.195 120.500 -0.243 0.000 2.115 185 R HA -0.062 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 1.432 57.438 56.100 -0.157 0.000 0.976 185 R CB -0.392 29.846 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 -0.152 4.375 4.527 -0.000 0.000 0.297 186 F C 2.128 177.795 175.800 -0.221 0.000 1.103 186 F CA 1.436 59.321 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 -0.148 nan 8.300 nan 0.000 0.475 187 S N 0.874 116.252 115.700 -0.536 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 1.591 59.437 58.200 -0.590 0.000 1.051 187 S CB -1.183 61.640 63.200 -0.629 0.000 0.944 187 S HN 0.576 nan 8.310 nan 0.000 0.433 188 A N 0.365 123.006 122.820 -0.297 0.000 1.908 188 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 188 A C 1.985 179.555 177.584 -0.024 0.000 1.181 188 A CA 1.849 53.775 52.037 -0.186 0.000 0.627 188 A CB -1.003 17.892 19.000 -0.174 0.000 0.818 188 A HN 0.611 nan 8.150 nan 0.000 0.445 189 Y N 0.926 121.170 120.300 -0.094 0.000 2.145 189 Y HA -0.183 4.367 4.550 -0.000 0.000 0.286 189 Y C 2.672 178.637 175.900 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 0.688 115.173 114.554 -0.116 0.000 2.746 190 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 190 T C 2.093 176.783 174.700 -0.017 0.000 1.039 190 T CA 1.404 63.423 62.100 -0.135 0.000 1.142 190 T CB -0.755 67.948 68.868 -0.276 0.000 0.866 190 T HN 0.511 nan 8.240 nan 0.000 0.444 191 A N 0.677 123.427 122.820 -0.117 0.000 1.865 191 A HA -0.156 4.163 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 1.852 53.820 52.037 -0.114 0.000 0.623 191 A CB -1.322 17.426 19.000 -0.420 0.000 0.826 191 A HN 0.708 nan 8.150 nan 0.000 0.444 192 W N 1.065 122.241 121.300 -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 2.211 59.435 57.345 -0.201 0.000 1.244 192 W CB 0.057 29.402 29.460 -0.192 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 0.658 176.811 176.600 -0.745 0.000 1.026 193 K CA 0.345 56.110 56.287 -0.870 0.000 1.064 193 K CB -0.103 31.725 32.500 -1.120 0.000 0.833 193 K HN 0.151 nan 8.250 nan 0.000 0.521 194 F N -0.137 119.741 119.950 -0.119 0.000 2.798 194 F HA 0.110 4.637 4.527 -0.000 0.000 0.328 194 F C 1.277 177.096 175.800 0.032 0.000 1.098 194 F CA -0.720 57.283 58.000 0.006 0.000 1.172 194 F CB 0.305 39.381 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 0.068 0.000 0.994 195 D CA 1.917 56.007 54.000 0.151 0.000 0.897 195 D CB 0.053 40.922 40.800 0.115 0.000 0.907 195 D HN 0.368 nan 8.370 nan 0.000 0.467 196 D N -0.593 119.838 120.400 0.052 0.000 2.277 196 D HA -0.122 4.518 4.640 -0.000 0.000 0.208 196 D C 1.985 178.320 176.300 0.058 0.000 0.962 196 D CA 0.493 54.512 54.000 0.032 0.000 0.865 196 D CB -0.320 40.483 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 0.925 177.875 176.870 0.134 0.000 1.065 197 L CA -0.058 54.883 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 0.641 120.544 119.914 -0.019 0.000 3.051 198 V HA -0.030 4.090 4.120 -0.000 0.000 0.306 198 V C 0.638 176.477 176.094 -0.425 0.000 1.083 198 V CA 0.395 62.460 62.300 -0.391 0.000 1.104 198 V CB 1.482 32.889 31.823 -0.693 0.000 1.027 198 V HN 0.231 nan 8.190 nan 0.000 0.483 199 D N 0.241 120.264 120.400 -0.628 0.000 2.626 199 D HA 0.204 4.844 4.640 -0.000 0.000 0.274 199 D C 0.351 176.310 176.300 -0.569 0.000 1.045 199 D CA 0.386 53.998 54.000 -0.647 0.000 0.925 199 D CB 1.100 41.184 40.800 -1.195 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 -0.630 0.000 2.408 200 E HA 0.380 4.730 4.350 -0.000 0.000 0.275 200 E C -1.426 174.944 176.600 -0.383 0.000 0.935 200 E CA -0.654 55.567 56.400 -0.298 0.000 0.775 200 E CB 2.363 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 0.166 120.573 120.300 0.177 0.000 2.429 201 Y HA 0.388 4.938 4.550 -0.000 0.000 0.342 201 Y C 0.068 176.060 175.900 0.153 0.000 1.004 201 Y CA -0.588 57.565 58.100 0.087 0.000 1.075 201 Y CB 2.393 40.850 38.460 -0.006 0.000 1.214 201 Y HN 0.301 nan 8.280 nan 0.000 0.455 202 S N 0.565 116.422 115.700 0.263 0.000 2.532 202 S HA 0.338 4.808 4.470 -0.000 0.000 0.299 202 S C 0.669 175.375 174.600 0.177 0.000 1.105 202 S CA -0.122 58.140 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 2.781 117.455 114.554 0.200 0.000 2.698 203 T HA 0.153 4.502 4.350 -0.000 0.000 0.260 203 T C 0.980 175.955 174.700 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 -0.019 119.769 119.600 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 0.325 0.000 1.732 204 M HN -0.033 nan 8.290 nan 0.000 0.461 205 N N 0.900 119.597 118.700 -0.005 0.000 2.425 205 N HA 0.243 4.983 4.740 -0.000 0.000 0.268 205 N C -1.200 174.264 175.510 -0.076 0.000 0.991 205 N CA 0.183 53.126 53.050 -0.178 0.000 0.931 205 N CB 0.805 38.881 38.487 -0.685 0.000 1.130 205 N HN 0.817 nan 8.380 nan 0.000 0.493 206 E N 2.129 122.308 120.200 -0.035 0.000 2.246 206 E HA -0.183 4.167 4.350 -0.000 0.000 0.173 206 E C -1.745 174.844 176.600 -0.019 0.000 1.532 206 E CA 0.082 56.460 56.400 -0.038 0.000 0.672 206 E CB -0.439 29.290 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 1.546 64.588 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 0.492 119.044 118.700 -0.247 0.000 2.289 208 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 208 N C 1.577 176.958 175.510 -0.216 0.000 1.016 208 N CA 1.007 53.930 53.050 -0.212 0.000 0.872 208 N CB -1.663 36.597 38.487 -0.379 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 -0.274 0.000 2.591 209 V HA -0.074 4.046 4.120 -0.000 0.000 0.249 209 V C 2.539 178.405 176.094 -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 0.114 nan 8.190 nan 0.000 0.462 210 V N 1.033 120.694 119.914 -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 -1.357 30.287 31.823 -0.299 0.000 0.645 210 V HN 0.583 nan 8.190 nan 0.000 0.447 211 G N -0.260 108.524 108.800 -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 0.136 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 0.120 4.460 4.340 -0.000 0.000 0.214 213 L C 2.997 179.735 176.870 -0.219 0.000 1.119 213 L CA 0.731 55.390 54.840 -0.303 0.000 0.809 213 L CB -0.414 41.246 42.059 -0.665 0.000 0.933 213 L HN 0.345 nan 8.230 nan 0.000 0.449 214 G N -0.936 107.721 108.800 -0.239 0.000 2.430 214 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.216 214 G HA3 -0.208 3.751 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 0.348 nan 8.290 nan 0.000 0.537 215 Y N -1.519 118.802 120.300 0.035 0.000 2.432 215 Y HA 0.365 4.915 4.550 -0.000 0.000 0.252 215 Y C 1.955 177.914 175.900 0.098 0.000 1.097 215 Y CA -0.245 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 -1.652 118.359 119.914 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 1.623 110.415 108.800 -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 1.073 175.934 174.900 -0.065 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 1.211 63.517 62.300 0.008 0.000 1.160 218 V CB -0.373 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 1.572 121.980 120.400 0.014 0.000 2.418 219 K HA 0.049 4.368 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 0.137 115.842 115.700 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 0.763 58.961 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 0.371 109.346 108.800 0.292 0.000 2.137 221 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.237 221 G HA3 -0.206 3.753 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 -0.082 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 1.796 121.768 119.950 0.037 0.000 2.375 222 F HA 0.521 5.048 4.527 -0.000 0.000 0.333 222 F C -1.118 174.083 175.800 -0.999 0.000 1.104 222 F CA -2.969 54.803 58.000 -0.380 0.000 1.149 222 F CB 1.192 40.025 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 -1.003 0.000 1.240 223 P CA -1.375 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 0.785 177.908 177.300 -0.295 0.000 1.223 224 P CA 0.652 63.397 63.100 -0.592 0.000 0.796 224 P CB -0.065 31.599 31.700 -0.059 0.000 1.068 225 G N 0.192 108.832 108.800 -0.266 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 -0.689 174.304 174.900 0.155 0.000 1.076 225 G CA -0.109 45.018 45.100 0.045 0.000 0.882 225 G HN 0.478 nan 8.290 nan 0.000 0.497 226 Y N -0.052 120.286 120.300 0.062 0.000 2.334 226 Y HA 0.615 5.165 4.550 -0.000 0.000 0.336 226 Y C 0.132 176.155 175.900 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 -0.589 176.245 176.870 -0.061 0.000 1.108 227 L CA 0.540 55.339 54.840 -0.069 0.000 0.852 227 L CB 0.239 42.219 42.059 -0.131 0.000 1.169 227 L HN 0.608 nan 8.230 nan 0.000 0.452 228 S N 4.127 119.912 115.700 0.141 0.000 2.590 228 S HA 0.354 4.824 4.470 -0.000 0.000 0.286 228 S C 0.565 175.304 174.600 0.231 0.000 1.147 228 S CA -0.601 57.676 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 0.046 4.573 4.527 -0.000 0.000 0.297 229 F C 2.461 178.234 175.800 -0.046 0.000 1.103 229 F CA 1.645 59.633 58.000 -0.019 0.000 1.248 229 F CB -0.812 38.161 39.000 -0.045 0.000 0.999 229 F HN 0.852 nan 8.300 nan 0.000 0.475 230 E N 0.663 120.953 120.200 0.151 0.000 2.023 230 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 230 E C 2.285 178.854 176.600 -0.052 0.000 1.003 230 E CA 1.425 57.836 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 0.772 121.949 121.223 -0.077 0.000 2.187 231 L HA -0.162 4.177 4.340 -0.000 0.000 0.213 231 L C 2.760 179.427 176.870 -0.339 0.000 1.100 231 L CA 1.091 55.788 54.840 -0.238 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 -0.035 115.590 115.700 -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 59.245 58.200 -0.027 0.000 0.981 232 S CB 0.020 63.299 63.200 0.130 0.000 0.818 232 S HN 0.379 nan 8.310 nan 0.000 0.472 233 R N 0.380 120.855 120.500 -0.042 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 2.217 178.552 176.300 0.058 0.000 1.137 234 R CA 1.774 57.855 56.100 -0.030 0.000 0.943 234 R CB -0.324 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 0.709 123.513 122.820 -0.026 0.000 1.908 235 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 235 A C 2.136 179.800 177.584 0.133 0.000 1.181 235 A CA 1.519 53.611 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 -2.107 117.587 119.600 0.157 0.000 2.117 236 M HA -0.088 4.392 4.480 -0.000 0.000 0.262 236 M C 2.121 178.578 176.300 0.260 0.000 1.065 236 M CA 1.304 56.754 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 1.769 122.149 120.300 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 0.350 119.193 118.700 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 1.646 54.819 53.050 0.204 0.000 0.866 238 N CB -0.326 38.363 38.487 0.336 0.000 0.980 238 N HN 0.455 nan 8.380 nan 0.000 0.430 239 I N 0.623 121.156 120.570 -0.063 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 -0.347 0.000 1.385 239 I CB -0.179 37.545 38.000 -0.460 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 37.253 38.000 -0.532 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 -0.213 4.127 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 1.827 57.540 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 0.136 123.006 122.820 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 -0.573 18.684 19.000 0.428 0.000 0.800 242 A HN 0.479 nan 8.150 nan 0.000 0.453 243 H N -0.248 118.854 119.070 0.054 0.000 2.294 243 H HA 0.206 4.762 4.556 -0.000 0.000 0.306 243 H C 2.192 177.537 175.328 0.029 0.000 1.065 243 H CA 1.768 57.854 56.048 0.063 0.000 1.343 243 H CB -0.462 29.247 29.762 -0.088 0.000 1.396 243 H HN 0.294 nan 8.280 nan 0.000 0.506 244 A N 0.920 123.582 122.820 -0.263 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 54.025 52.037 -0.280 0.000 0.638 244 A CB -0.623 18.265 19.000 -0.186 0.000 0.823 244 A HN 0.404 nan 8.150 nan 0.000 0.451 245 R N -0.406 120.031 120.500 -0.104 0.000 2.083 245 R HA -0.041 4.298 4.340 -0.000 0.000 0.237 245 R C 2.405 178.623 176.300 -0.137 0.000 1.137 245 R CA 1.719 57.760 56.100 -0.099 0.000 0.951 245 R CB -0.990 29.264 30.300 -0.076 0.000 0.851 245 R HN 0.519 nan 8.270 nan 0.000 0.434 246 A N -0.870 121.871 122.820 -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 1.392 53.290 52.037 -0.232 0.000 0.635 246 A CB -0.760 18.121 19.000 -0.200 0.000 0.810 246 A HN 0.509 nan 8.150 nan 0.000 0.446 247 Y N 0.982 121.067 120.300 -0.357 0.000 2.163 247 Y HA -0.209 4.341 4.550 -0.000 0.000 0.288 247 Y C 1.878 177.638 175.900 -0.234 0.000 1.136 247 Y CA 2.080 59.981 58.100 -0.331 0.000 1.147 247 Y CB -0.104 38.086 38.460 -0.450 0.000 0.987 247 Y HN 0.327 nan 8.280 nan 0.000 0.509 248 D N -0.367 120.022 120.400 -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 1.437 55.394 54.000 -0.071 0.000 0.833 248 D CB -0.800 39.984 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 0.302 45.264 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 0.821 61.874 61.300 -0.411 0.000 1.385 250 I CB -0.106 37.546 38.000 -0.581 0.000 1.064 250 I HN -0.037 nan 8.210 nan 0.000 0.414 251 K N 0.779 120.967 120.400 -0.355 0.000 2.032 251 K HA -0.115 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 -0.281 0.000 0.712 251 K HN 0.178 nan 8.250 nan 0.000 0.441 252 S N 0.552 116.164 115.700 -0.146 0.000 2.441 252 S HA -0.110 4.360 4.470 -0.000 0.000 0.242 252 S C 1.706 176.262 174.600 -0.073 0.000 1.018 252 S CA 1.239 59.377 58.200 -0.102 0.000 0.988 252 S CB 0.008 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 -0.804 119.065 119.914 -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 0.101 62.400 62.300 -0.001 0.000 1.046 253 V CB 0.907 32.753 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 0.413 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 1.497 121.921 120.400 0.041 0.000 2.361 255 K HA 0.215 4.535 4.320 -0.000 0.000 0.194 255 K C 0.172 176.820 176.600 0.080 0.000 1.032 255 K CA 0.041 56.354 56.287 0.043 0.000 1.048 255 K CB -0.122 32.405 32.500 0.045 0.000 0.842 255 K HN 0.410 nan 8.250 nan 0.000 0.526 256 K N 2.201 122.673 120.400 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 -1.260 55.119 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 0.176 nan 4.420 nan 0.000 0.274 257 P C -0.843 176.727 177.300 0.451 0.000 1.237 257 P CA -0.436 62.895 63.100 0.385 0.000 0.793 257 P CB 0.703 32.722 31.700 0.532 0.000 0.977 258 V N 1.489 121.622 119.914 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 -0.250 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 3.275 111.715 108.800 -0.601 0.000 3.176 259 G HA2 0.879 4.838 3.960 -0.000 0.000 0.272 259 G HA3 0.879 4.838 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 -0.656 119.544 120.570 -0.616 0.000 2.769 260 I HA 0.561 4.731 4.170 -0.000 0.000 0.298 260 I C -1.169 174.820 176.117 -0.214 0.000 1.128 260 I CA -1.287 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 6.603 127.136 120.570 -0.062 0.000 2.321 261 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 261 I C -1.383 174.813 176.117 0.132 0.000 0.998 261 I CA -0.499 60.837 61.300 0.061 0.000 1.227 261 I CB 1.226 39.271 38.000 0.075 0.000 1.368 261 I HN 0.434 nan 8.210 nan 0.000 0.466 262 Y N 5.391 125.706 120.300 0.025 0.000 2.446 262 Y HA 0.674 5.224 4.550 -0.000 0.000 0.345 262 Y C 0.024 175.959 175.900 0.058 0.000 0.984 262 Y CA -1.023 57.081 58.100 0.007 0.000 1.058 262 Y CB 1.865 40.421 38.460 0.160 0.000 1.220 262 Y HN 0.585 nan 8.280 nan 0.000 0.455 263 A N 5.733 128.348 122.820 -0.341 0.000 2.409 263 A HA 0.401 4.721 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 -0.215 0.000 0.795 263 A CB -0.218 18.613 19.000 -0.281 0.000 1.061 263 A HN 0.822 nan 8.150 nan 0.000 0.502 264 N N 0.353 119.073 118.700 0.033 0.000 2.453 264 N HA 0.674 5.414 4.740 -0.000 0.000 0.290 264 N C -1.057 174.438 175.510 -0.025 0.000 1.250 264 N CA -0.392 52.702 53.050 0.073 0.000 0.815 264 N CB 2.113 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 0.334 4.804 4.470 -0.000 0.000 0.270 265 S C -1.425 172.898 174.600 -0.461 0.000 1.142 265 S CA -0.569 57.442 58.200 -0.315 0.000 0.870 265 S CB 1.283 64.198 63.200 -0.474 0.000 1.112 265 S HN 0.416 nan 8.310 nan 0.000 0.466 266 S N 3.092 118.666 115.700 -0.210 0.000 2.422 266 S HA 0.600 5.070 4.470 -0.000 0.000 0.298 266 S C -1.136 173.223 174.600 -0.403 0.000 1.118 266 S CA -0.461 57.626 58.200 -0.189 0.000 1.083 266 S CB -0.445 62.853 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 0.983 176.717 175.800 -0.109 0.000 1.115 267 F CA -0.470 57.456 58.000 -0.122 0.000 1.160 267 F CB 0.773 39.667 39.000 -0.177 0.000 1.123 267 F HN 0.381 nan 8.300 nan 0.000 0.508 268 Q N 5.417 125.213 119.800 -0.007 0.000 2.274 268 Q HA 0.387 4.727 4.340 -0.000 0.000 0.260 268 Q C -2.581 173.383 176.000 -0.059 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 32.844 31.700 -0.018 0.000 0.920 270 L N 3.209 124.374 121.223 -0.096 0.000 2.079 270 L HA -0.024 4.316 4.340 -0.000 0.000 0.210 270 L C 0.533 177.373 176.870 -0.050 0.000 1.081 270 L CA 2.372 57.143 54.840 -0.116 0.000 0.752 270 L CB -0.546 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 -1.835 112.706 114.554 -0.022 0.000 2.883 271 T HA 0.220 4.570 4.350 -0.000 0.000 0.296 271 T C 0.114 174.816 174.700 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 70.595 68.868 0.009 0.000 1.191 271 T HN -0.081 nan 8.240 nan 0.000 0.508 272 D N 1.026 121.433 120.400 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 0.013 0.000 0.986 272 D CA 1.101 55.110 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 0.346 120.754 120.400 0.013 0.000 2.668 273 K HA 0.007 4.327 4.320 -0.000 0.000 0.204 273 K C -0.035 176.571 176.600 0.010 0.000 1.016 273 K CA 0.624 56.919 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 0.306 120.710 120.400 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 -0.085 53.915 54.000 -0.000 0.000 0.817 274 D CB 0.442 41.236 40.800 -0.008 0.000 1.060 274 D HN 0.136 nan 8.370 nan 0.000 0.508 275 M N 0.842 120.443 119.600 0.001 0.000 2.073 275 M HA -0.175 4.305 4.480 -0.000 0.000 0.258 275 M C 2.035 178.331 176.300 -0.008 0.000 1.070 275 M CA 1.523 56.824 55.300 0.002 0.000 1.103 275 M CB -0.898 31.709 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 -0.283 0.000 1.176 277 A CA 1.479 53.466 52.037 -0.082 0.000 0.631 277 A CB -0.618 18.369 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 2.208 178.755 176.600 -0.089 0.000 1.004 279 E CA 1.839 58.217 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 0.563 nan 8.360 nan 0.000 0.451 280 M N 0.270 119.789 119.600 -0.136 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 1.398 56.641 55.300 -0.094 0.000 1.110 280 M CB -0.226 32.420 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 -1.236 0.000 0.635 281 A CB -0.539 17.341 19.000 -1.866 0.000 0.810 281 A HN 0.526 nan 8.150 nan 0.000 0.445 282 E N -0.172 119.626 120.200 -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 -0.353 0.000 0.983 282 E CA 0.669 56.776 56.400 -0.488 0.000 0.818 282 E CB -0.151 29.294 29.700 -0.425 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 1.443 54.621 53.050 0.213 0.000 0.849 283 N CB -0.290 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 0.565 121.027 120.400 0.103 0.000 2.203 284 D HA -0.105 4.534 4.640 -0.000 0.000 0.199 284 D C 1.112 177.529 176.300 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 -1.195 117.615 118.700 0.184 0.000 2.227 285 N HA 0.135 4.875 4.740 -0.000 0.000 0.196 285 N C 1.324 177.081 175.510 0.412 0.000 1.142 285 N CA 0.022 53.254 53.050 0.303 0.000 0.887 285 N CB 1.384 39.977 38.487 0.178 0.000 1.022 285 N HN 0.085 nan 8.380 nan 0.000 0.500 286 R N -0.456 120.192 120.500 0.247 0.000 3.275 286 R HA 0.166 4.505 4.340 -0.000 0.000 0.154 286 R C 1.303 177.794 176.300 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 29.899 30.300 -0.506 0.000 1.423 286 R HN 0.026 nan 8.270 nan 0.000 0.530 287 W N 1.879 123.354 121.300 0.293 0.000 2.338 287 W HA -0.258 4.402 4.660 -0.000 0.000 0.304 287 W C 2.116 178.791 176.519 0.261 0.000 1.212 287 W CA 0.512 58.031 57.345 0.289 0.000 1.264 287 W CB -0.466 29.109 29.460 0.191 0.000 1.142 287 W HN 0.430 nan 8.180 nan 0.000 0.512 288 W N 0.471 122.011 121.300 0.400 0.000 2.342 288 W HA -0.253 4.407 4.660 -0.000 0.000 0.297 288 W C 1.817 178.465 176.519 0.214 0.000 1.213 288 W CA 1.033 58.532 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 0.962 120.063 119.950 -1.414 0.000 2.113 289 F HA -0.064 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 1.952 59.054 58.000 -1.497 0.000 1.248 289 F CB -0.960 37.181 39.000 -1.432 0.000 0.999 289 F HN -0.268 nan 8.300 nan 0.000 0.475 290 F N 0.530 120.404 119.950 -0.127 0.000 2.259 290 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 290 F C 2.136 177.760 175.800 -0.293 0.000 1.088 290 F CA 1.097 58.976 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 2.267 178.507 176.300 -0.100 0.000 0.974 291 D CA 1.147 55.168 54.000 0.036 0.000 0.841 291 D CB -0.435 40.452 40.800 0.146 0.000 0.953 291 D HN 0.213 nan 8.370 nan 0.000 0.478 292 A N 1.408 124.106 122.820 -0.204 0.000 1.824 292 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 292 A C 2.155 179.536 177.584 -0.337 0.000 1.209 292 A CA 1.441 53.313 52.037 -0.275 0.000 0.614 292 A CB -1.006 17.734 19.000 -0.434 0.000 0.852 292 A HN 0.371 nan 8.150 nan 0.000 0.447 293 I N -3.227 117.040 120.570 -0.504 0.000 3.334 293 I HA 0.093 4.263 4.170 -0.000 0.000 0.282 293 I C 1.351 177.275 176.117 -0.322 0.000 1.313 293 I CA 0.922 61.970 61.300 -0.420 0.000 1.396 293 I CB -0.176 37.521 38.000 -0.506 0.000 1.054 293 I HN 0.299 nan 8.210 nan 0.000 0.495 294 I N 0.117 120.513 120.570 -0.289 0.000 3.623 294 I HA 0.107 4.277 4.170 -0.000 0.000 0.253 294 I C 1.926 177.943 176.117 -0.167 0.000 1.144 294 I CA -0.159 60.990 61.300 -0.252 0.000 1.461 294 I CB -0.043 37.732 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 4.539 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 56.889 56.100 -0.065 0.000 1.047 295 R CB -0.305 29.985 30.300 -0.017 0.000 0.955 295 R HN 0.570 nan 8.270 nan 0.000 0.481 296 G N 1.633 110.367 108.800 -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 -0.212 174.648 174.900 -0.067 0.000 0.975 296 G CA 0.335 45.374 45.100 -0.102 0.000 0.644 296 G HN 0.452 nan 8.290 nan 0.000 0.537 297 E N -0.191 119.982 120.200 -0.044 0.000 2.316 297 E HA 0.693 5.043 4.350 -0.000 0.000 0.275 297 E C 0.322 176.937 176.600 0.025 0.000 1.029 297 E CA 0.058 56.459 56.400 0.002 0.000 0.871 297 E CB 1.669 31.386 29.700 0.028 0.000 1.022 297 E HN 0.482 nan 8.360 nan 0.000 0.418 298 I N 0.986 121.592 120.570 0.060 0.000 3.395 298 I HA 0.365 4.535 4.170 -0.000 0.000 0.318 298 I C -1.546 174.649 176.117 0.129 0.000 1.262 298 I CA -0.449 60.924 61.300 0.122 0.000 0.910 298 I CB 2.786 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 3.380 118.031 114.554 0.162 0.000 3.335 299 T HA 0.370 4.720 4.350 -0.000 0.000 0.321 299 T C -1.177 173.568 174.700 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 0.618 4.958 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 0.513 56.582 56.100 -0.052 0.000 1.047 300 R CB 0.540 30.795 30.300 -0.074 0.000 1.016 300 R HN 0.963 nan 8.270 nan 0.000 0.477 301 G N 2.960 111.710 108.800 -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 -0.066 118.615 118.700 -0.032 0.000 1.975 302 N HA 0.178 4.918 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 0.796 53.833 53.050 -0.022 0.000 0.722 302 N CB 0.465 38.936 38.487 -0.026 0.000 1.151 302 N HN 0.338 nan 8.380 nan 0.000 0.557 303 E N 1.224 121.421 120.200 -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 0.026 0.000 2.351 304 K HA 0.035 4.355 4.320 -0.000 0.000 0.287 304 K C -0.312 176.310 176.600 0.036 0.000 1.068 304 K CA 0.110 56.421 56.287 0.040 0.000 0.998 304 K CB -0.218 32.303 32.500 0.037 0.000 0.968 304 K HN 0.261 nan 8.250 nan 0.000 0.464 305 I N 3.192 123.790 120.570 0.046 0.000 4.011 305 I HA 0.410 4.580 4.170 -0.000 0.000 0.258 305 I C -0.171 175.964 176.117 0.030 0.000 1.393 305 I CA -1.373 59.950 61.300 0.038 0.000 1.045 305 I CB 0.851 38.880 38.000 0.049 0.000 1.523 305 I HN 0.248 nan 8.210 nan 0.000 0.613 306 V N 2.006 121.931 119.914 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 32.728 31.823 -0.001 0.000 1.039 306 V HN 0.562 nan 8.190 nan 0.000 0.507 307 R N 2.316 122.808 120.500 -0.013 0.000 2.248 307 R HA 0.260 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 0.680 30.964 30.300 -0.026 0.000 1.034 307 R HN 0.591 nan 8.270 nan 0.000 0.465 308 D N 2.165 122.546 120.400 -0.032 0.000 2.351 308 D HA -0.162 4.478 4.640 -0.000 0.000 0.216 308 D C 0.848 177.118 176.300 -0.051 0.000 0.968 308 D CA 1.080 55.056 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 0.400 120.770 120.400 -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 54.144 54.000 -0.059 0.000 0.890 309 D CB -0.042 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 -0.609 120.544 121.223 -0.116 0.000 2.500 310 L HA 0.145 4.485 4.340 -0.000 0.000 0.219 310 L C 1.221 177.983 176.870 -0.180 0.000 1.057 310 L CA -0.351 54.390 54.840 -0.166 0.000 0.854 310 L CB 0.092 42.044 42.059 -0.179 0.000 1.078 310 L HN -0.208 nan 8.230 nan 0.000 0.480 311 K N 1.114 121.433 120.400 -0.136 0.000 2.530 311 K HA 0.044 4.364 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 0.974 57.185 56.287 -0.127 0.000 1.071 311 K CB 0.236 32.686 32.500 -0.082 0.000 0.876 311 K HN 0.271 nan 8.250 nan 0.000 0.487 312 G N 3.325 112.025 108.800 -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 0.158 174.861 174.900 -0.327 0.000 1.021 312 G CA 0.394 45.385 45.100 -0.181 0.000 0.798 312 G HN 0.601 nan 8.290 nan 0.000 0.507 313 R N -0.984 119.234 120.500 -0.471 0.000 3.541 313 R HA 0.617 4.957 4.340 -0.000 0.000 0.277 313 R C -0.040 175.708 176.300 -0.920 0.000 1.539 313 R CA -0.131 55.368 56.100 -1.000 0.000 1.338 313 R CB 0.016 29.851 30.300 -0.776 0.000 1.343 313 R HN 0.411 nan 8.270 nan 0.000 0.623 314 L N -1.031 119.892 121.223 -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 0.004 0.000 0.957 314 L CA -0.091 54.654 54.840 -0.159 0.000 0.836 314 L CB 2.287 44.262 42.059 -0.140 0.000 1.324 314 L HN 0.011 nan 8.230 nan 0.000 0.406 315 D N 2.752 123.229 120.400 0.128 0.000 2.431 315 D HA 0.138 4.778 4.640 -0.000 0.000 0.235 315 D C -0.562 175.827 176.300 0.147 0.000 0.980 315 D CA 1.033 55.165 54.000 0.219 0.000 0.912 315 D CB 0.412 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 -1.598 174.820 176.519 -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 2.220 122.873 120.570 0.139 0.000 2.378 317 I HA 0.440 4.610 4.170 -0.000 0.000 0.291 317 I C 0.711 176.976 176.117 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 39.607 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 0.178 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 -0.606 174.407 174.900 0.190 0.000 1.134 318 G CA -0.252 45.087 45.100 0.398 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 -0.469 175.743 176.094 0.196 0.000 1.021 319 V CA -1.058 61.344 62.300 0.171 0.000 0.847 319 V CB 1.168 33.090 31.823 0.165 0.000 0.990 319 V HN 0.643 nan 8.190 nan 0.000 0.444 320 N N 3.584 122.404 118.700 0.200 0.000 2.430 320 N HA 0.597 5.337 4.740 -0.000 0.000 0.292 320 N C -1.224 174.389 175.510 0.173 0.000 1.051 320 N CA -0.343 52.792 53.050 0.142 0.000 0.917 320 N CB 1.601 40.171 38.487 0.138 0.000 1.164 320 N HN 0.710 nan 8.380 nan 0.000 0.484 321 Y N 1.648 121.868 120.300 -0.133 0.000 2.441 321 Y HA 0.333 4.883 4.550 -0.000 0.000 0.334 321 Y C -1.047 174.661 175.900 -0.320 0.000 1.061 321 Y CA -0.508 57.534 58.100 -0.098 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 1.813 121.725 120.300 -0.646 0.000 2.784 322 Y HA 0.350 4.900 4.550 -0.000 0.000 0.267 322 Y C 0.970 176.611 175.900 -0.432 0.000 1.117 322 Y CA 0.781 58.716 58.100 -0.275 0.000 1.231 322 Y CB 1.209 39.634 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 -1.654 172.801 174.700 -0.408 0.000 1.288 323 T CA -0.884 60.970 62.100 -0.409 0.000 1.040 323 T CB 1.279 69.930 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 0.782 5.122 4.340 -0.000 0.000 0.251 324 R C -1.389 174.761 176.300 -0.251 0.000 1.107 324 R CA -0.400 55.534 56.100 -0.276 0.000 1.084 324 R CB 1.276 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 1.077 115.487 114.554 -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 -0.056 0.000 0.991 325 T CA -0.542 61.510 62.100 -0.080 0.000 0.990 325 T CB 1.628 70.512 68.868 0.027 0.000 0.991 325 T HN 0.366 nan 8.240 nan 0.000 0.440 326 V N 4.797 124.656 119.914 -0.091 0.000 2.406 326 V HA 0.550 4.670 4.120 -0.000 0.000 0.272 326 V C 0.456 176.507 176.094 -0.071 0.000 1.043 326 V CA -0.603 61.579 62.300 -0.197 0.000 0.915 326 V CB 0.901 32.372 31.823 -0.587 0.000 0.988 326 V HN 0.756 nan 8.190 nan 0.000 0.466 327 V N 2.930 122.815 119.914 -0.050 0.000 2.919 327 V HA 0.874 4.994 4.120 -0.000 0.000 0.316 327 V C -0.594 175.494 176.094 -0.011 0.000 1.077 327 V CA -1.053 61.243 62.300 -0.006 0.000 0.977 327 V CB 1.922 33.695 31.823 -0.084 0.000 1.039 327 V HN 0.968 nan 8.190 nan 0.000 0.441 328 K N 1.638 122.065 120.400 0.046 0.000 2.513 328 K HA 0.607 4.927 4.320 -0.000 0.000 0.251 328 K C -0.471 176.176 176.600 0.078 0.000 0.939 328 K CA -0.947 55.365 56.287 0.042 0.000 0.793 328 K CB 2.256 34.777 32.500 0.034 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 -0.525 175.803 176.300 0.046 0.000 1.027 329 R CA 0.541 56.681 56.100 0.068 0.000 1.163 329 R CB 0.353 30.679 30.300 0.043 0.000 1.060 329 R HN 0.903 nan 8.270 nan 0.000 0.483 330 T N 2.502 117.076 114.554 0.032 0.000 4.076 330 T HA 0.087 4.436 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 -0.300 61.805 62.100 0.008 0.000 1.486 330 T CB 0.247 69.107 68.868 -0.013 0.000 0.828 330 T HN 0.659 nan 8.240 nan 0.000 0.625 331 E N 1.398 121.602 120.200 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 -0.092 120.306 120.400 -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 57.120 56.287 -0.003 0.000 0.985 332 K CB 0.394 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 0.745 109.526 108.800 -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 -0.660 174.250 174.900 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 -3.496 116.771 120.300 -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 56.223 58.100 -0.059 0.000 1.057 334 Y CB 0.716 39.124 38.460 -0.087 0.000 1.322 334 Y HN 0.617 nan 8.280 nan 0.000 0.457 335 V N 0.380 120.455 119.914 0.269 0.000 3.130 335 V HA 0.693 4.813 4.120 -0.000 0.000 0.310 335 V C -0.631 175.581 176.094 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 2.342 118.127 115.700 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 -0.439 57.839 58.200 0.131 0.000 1.099 336 S CB 0.353 63.628 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 0.314 42.520 42.059 0.245 0.000 1.112 337 L HN 0.652 nan 8.230 nan 0.000 0.458 338 G N -0.248 108.662 108.800 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 0.726 175.666 174.900 0.068 0.000 1.192 338 G CA 0.038 45.212 45.100 0.124 0.000 0.921 338 G HN 0.995 nan 8.290 nan 0.000 0.512 339 G N -1.773 107.011 108.800 -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 -0.091 174.563 174.900 -0.410 0.000 0.981 339 G CA 1.036 45.998 45.100 -0.230 0.000 0.670 339 G HN 0.884 nan 8.290 nan 0.000 0.528 340 Y N -1.749 118.579 120.300 0.047 0.000 2.625 340 Y HA 0.552 5.102 4.550 -0.000 0.000 0.338 340 Y C 1.304 177.209 175.900 0.010 0.000 1.123 340 Y CA 0.053 58.169 58.100 0.026 0.000 1.046 340 Y CB 0.871 39.328 38.460 -0.004 0.000 1.299 340 Y HN 1.169 nan 8.280 nan 0.000 0.464 341 G N 0.657 109.546 108.800 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 0.921 56.830 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 0.072 108.964 108.800 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 -0.626 174.346 174.900 0.119 0.000 1.262 343 G CA -0.181 44.999 45.100 0.132 0.000 1.473 343 G HN 0.217 nan 8.290 nan 0.000 0.624 344 C N -0.391 119.001 119.300 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 0.121 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 0.689 120.941 120.200 0.087 0.000 2.366 345 E HA 0.181 4.531 4.350 -0.000 0.000 0.266 345 E C -0.267 176.392 176.600 0.098 0.000 1.051 345 E CA -0.144 56.307 56.400 0.084 0.000 0.884 345 E CB 0.586 30.323 29.700 0.061 0.000 1.006 345 E HN 0.452 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 -0.159 176.182 176.300 0.068 0.000 1.069 346 R CA 0.181 56.329 56.100 0.080 0.000 1.022 346 R CB -0.064 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 0.339 119.080 118.700 0.069 0.000 2.688 347 N HA -0.255 4.485 4.740 -0.000 0.000 0.258 347 N C -0.675 174.887 175.510 0.086 0.000 1.016 347 N CA 0.975 54.070 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 -1.314 114.449 115.700 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 2.113 122.082 119.914 0.091 0.000 2.971 349 V HA 0.618 4.738 4.120 -0.000 0.000 0.309 349 V C 0.022 176.130 176.094 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 1.040 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 1.002 175.533 174.600 -0.116 0.000 1.257 350 S CA -0.435 57.746 58.200 -0.032 0.000 0.983 350 S CB 0.431 63.655 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 2.211 179.021 176.870 -0.100 0.000 1.149 351 L CA 1.051 55.692 54.840 -0.331 0.000 0.816 351 L CB -0.710 40.926 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 0.031 19.203 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 0.101 175.007 174.900 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 2.352 123.624 121.223 0.081 0.000 2.326 354 L HA 0.404 4.743 4.340 -0.000 0.000 0.278 354 L C -1.168 175.769 176.870 0.111 0.000 1.092 354 L CA -2.191 52.721 54.840 0.120 0.000 0.810 354 L CB 0.951 43.164 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 -2.785 111.879 114.554 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 0.475 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 4.686 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 -0.162 62.988 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 -0.134 0.000 2.378 358 D HA 0.085 4.725 4.640 -0.000 0.000 0.222 358 D C 0.636 176.857 176.300 -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 -0.135 119.582 119.950 -0.388 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 0.411 38.734 39.000 -1.128 0.000 1.073 359 F HN 0.040 nan 8.300 nan 0.000 0.586 360 G N -0.084 108.757 108.800 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 -0.387 174.736 174.900 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 0.803 122.163 121.300 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 55.256 57.345 0.038 0.000 1.211 361 W CB 0.747 30.195 29.460 -0.021 0.000 1.298 361 W HN 0.301 nan 8.180 nan 0.000 0.525 362 E N 2.217 122.617 120.200 0.333 0.000 2.338 362 E HA 0.110 4.460 4.350 -0.000 0.000 0.272 362 E C -0.939 175.945 176.600 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 30.487 29.700 0.264 0.000 1.015 362 E HN 0.259 nan 8.360 nan 0.000 0.417 363 F N 5.567 125.736 119.950 0.364 0.000 2.502 363 F HA 0.188 4.714 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 0.234 58.487 58.000 0.422 0.000 1.174 363 F CB 0.114 39.297 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 0.157 0.000 3.020 364 F HA 0.352 4.879 4.527 -0.000 0.000 0.389 364 F C -2.327 173.519 175.800 0.076 0.000 1.265 364 F CA -1.716 56.386 58.000 0.169 0.000 1.195 364 F CB 0.498 39.632 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 1.619 64.296 63.100 -0.704 0.000 0.843 365 P CB 0.330 31.541 31.700 -0.814 0.000 0.787 366 E N -0.536 119.339 120.200 -0.540 0.000 2.219 366 E HA -0.152 4.198 4.350 -0.000 0.000 0.198 366 E C 2.220 178.773 176.600 -0.079 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 -0.629 0.000 0.741 366 E HN 0.291 nan 8.360 nan 0.000 0.477 367 G N 0.489 109.383 108.800 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 1.402 176.109 174.900 -0.321 0.000 1.125 367 G CA 0.466 45.772 45.100 0.342 0.000 0.775 367 G HN 0.205 nan 8.290 nan 0.000 0.548 368 L N -0.285 120.550 121.223 -0.647 0.000 2.056 368 L HA 0.055 4.395 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 1.471 55.905 54.840 -0.676 0.000 0.749 368 L CB -0.979 40.885 42.059 -0.325 0.000 0.901 368 L HN 0.353 nan 8.230 nan 0.000 0.433 369 Y N 0.314 120.512 120.300 -0.171 0.000 2.165 369 Y HA -0.290 4.260 4.550 -0.000 0.000 0.286 369 Y C 2.405 178.280 175.900 -0.041 0.000 1.155 369 Y CA 2.173 60.219 58.100 -0.089 0.000 1.164 369 Y CB -0.359 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 -0.700 119.703 120.400 0.006 0.000 2.097 370 D HA -0.179 4.461 4.640 -0.000 0.000 0.195 370 D C 2.169 178.422 176.300 -0.077 0.000 0.989 370 D CA 1.697 55.682 54.000 -0.024 0.000 0.827 370 D CB -0.333 40.523 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 2.656 178.796 176.094 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 0.400 121.644 121.223 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 2.188 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 -3.497 110.969 114.554 -0.146 0.000 2.951 373 T HA -0.109 4.240 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 -0.384 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 2.054 178.716 176.600 0.104 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 0.139 0.000 0.719 374 K HN 0.341 nan 8.250 nan 0.000 0.440 375 Y N 0.315 120.702 120.300 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 0.291 nan 8.280 nan 0.000 0.509 376 W N 1.476 122.780 121.300 0.007 0.000 2.333 376 W HA -0.274 4.386 4.660 -0.000 0.000 0.316 376 W C 1.396 177.623 176.519 -0.487 0.000 1.215 376 W CA 2.044 59.287 57.345 -0.169 0.000 1.278 376 W CB -0.474 28.913 29.460 -0.122 0.000 1.154 376 W HN 0.139 nan 8.180 nan 0.000 0.486 377 N N 0.382 118.819 118.700 -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 -0.633 0.000 1.025 377 N CA 1.263 53.977 53.050 -0.561 0.000 0.888 377 N CB -0.534 37.848 38.487 -0.175 0.000 0.965 377 N HN 0.372 nan 8.380 nan 0.000 0.438 378 R N -0.557 119.536 120.500 -0.679 0.000 2.156 378 R HA 0.016 4.356 4.340 -0.000 0.000 0.207 378 R C 0.575 176.413 176.300 -0.770 0.000 1.040 378 R CA 0.779 56.371 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 -1.456 118.623 120.300 -0.368 0.000 2.471 379 Y HA 0.246 4.796 4.550 -0.000 0.000 0.249 379 Y C -0.316 175.413 175.900 -0.285 0.000 1.116 379 Y CA -0.632 57.326 58.100 -0.237 0.000 1.240 379 Y CB 0.013 38.389 38.460 -0.139 0.000 1.251 379 Y HN 0.124 nan 8.280 nan 0.000 0.527 380 H N -0.363 118.376 119.070 -0.552 0.000 2.684 380 H HA -0.190 4.366 4.556 -0.000 0.000 0.309 380 H C -0.483 174.553 175.328 -0.487 0.000 1.102 380 H CA 0.690 56.097 56.048 -1.068 0.000 1.147 380 H CB -1.851 27.420 29.762 -0.819 0.000 1.391 380 H HN 0.221 nan 8.280 nan 0.000 0.398 381 L N 0.854 122.049 121.223 -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 53.698 54.840 0.176 0.000 0.804 381 L CB 0.549 42.659 42.059 0.085 0.000 1.200 381 L HN 0.238 nan 8.230 nan 0.000 0.436 382 Y N 1.818 122.355 120.300 0.395 0.000 2.335 382 Y HA 0.529 5.079 4.550 -0.000 0.000 0.348 382 Y C -0.028 176.019 175.900 0.246 0.000 1.280 382 Y CA -1.100 57.198 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 0.803 120.561 119.600 0.263 0.000 2.683 383 M HA 0.565 5.045 4.480 -0.000 0.000 0.274 383 M C -2.359 173.926 176.300 -0.026 0.000 1.272 383 M CA -1.034 54.357 55.300 0.151 0.000 0.833 383 M CB 2.354 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 -0.339 120.019 120.300 0.097 0.000 2.499 384 Y HA 0.611 5.161 4.550 -0.000 0.000 0.347 384 Y C -0.455 175.490 175.900 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 2.774 122.813 119.914 0.208 0.000 2.284 385 V HA 0.055 4.175 4.120 -0.000 0.000 0.260 385 V C 0.620 176.775 176.094 0.101 0.000 1.084 385 V CA 0.020 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 1.092 115.742 114.554 0.160 0.000 3.085 386 T HA 0.153 4.503 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 0.427 62.617 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 0.271 120.525 120.200 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 -1.377 174.134 175.510 0.001 0.000 1.071 388 N CA -0.051 52.862 53.050 -0.229 0.000 1.056 388 N CB 1.727 40.242 38.487 0.047 0.000 1.661 388 N HN 0.629 nan 8.380 nan 0.000 0.570 389 G N 1.400 110.337 108.800 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 -1.922 173.074 174.900 0.159 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 -0.369 120.180 120.570 -0.036 0.000 2.722 390 I HA 0.654 4.824 4.170 -0.000 0.000 0.292 390 I C -0.270 175.365 176.117 -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 39.562 38.000 -0.669 0.000 1.281 390 I HN 1.000 nan 8.210 nan 0.000 0.423 391 A N 4.644 126.711 122.820 -1.256 0.000 2.396 391 A HA 0.498 4.818 4.320 -0.000 0.000 0.279 391 A C -0.649 176.614 177.584 -0.535 0.000 1.165 391 A CA 0.238 51.568 52.037 -1.178 0.000 0.824 391 A CB -0.065 18.261 19.000 -1.123 0.000 1.100 391 A HN 0.625 nan 8.150 nan 0.000 0.516 392 D N 2.174 122.361 120.400 -0.356 0.000 2.491 392 D HA 0.067 4.707 4.640 -0.000 0.000 0.232 392 D C 0.069 176.259 176.300 -0.182 0.000 1.334 392 D CA -0.353 53.517 54.000 -0.216 0.000 0.909 392 D CB 0.671 41.390 40.800 -0.134 0.000 1.513 392 D HN 0.403 nan 8.370 nan 0.000 0.514 393 D N 2.025 122.313 120.400 -0.186 0.000 2.144 393 D HA -0.046 4.594 4.640 -0.000 0.000 0.200 393 D C 1.762 177.940 176.300 -0.205 0.000 0.978 393 D CA 1.514 55.418 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 -0.261 122.360 122.820 -0.331 0.000 2.014 394 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 394 A C 1.112 178.438 177.584 -0.430 0.000 1.163 394 A CA 1.458 53.179 52.037 -0.528 0.000 0.652 394 A CB -0.116 18.201 19.000 -1.138 0.000 0.808 394 A HN 0.281 nan 8.150 nan 0.000 0.449 395 D N -4.811 115.421 120.400 -0.279 0.000 3.110 395 D HA -0.171 4.469 4.640 -0.000 0.000 0.214 395 D C 0.235 176.593 176.300 0.097 0.000 1.112 395 D CA 0.931 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 0.417 nan 8.370 nan 0.000 0.429 396 Y N 0.216 120.567 120.300 0.086 0.000 2.163 396 Y HA 0.003 4.553 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 1.659 59.833 58.100 0.122 0.000 1.147 396 Y CB -0.634 37.873 38.460 0.077 0.000 0.987 396 Y HN 0.311 nan 8.280 nan 0.000 0.509 397 Q N -0.804 119.212 119.800 0.360 0.000 2.376 397 Q HA 0.005 4.345 4.340 -0.000 0.000 0.206 397 Q C 2.265 178.558 176.000 0.488 0.000 0.921 397 Q CA 0.019 56.065 55.803 0.406 0.000 0.911 397 Q CB 0.088 29.038 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 -0.848 175.642 176.300 0.318 0.000 1.142 398 R CA 1.628 57.917 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 0.477 177.807 177.300 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 31.550 31.700 -0.097 0.000 0.788 400 Y N -3.005 117.424 120.300 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 59.298 58.100 0.253 0.000 1.179 400 Y CB -1.398 37.200 38.460 0.230 0.000 0.998 400 Y HN -0.055 nan 8.280 nan 0.000 0.532 401 Y N 0.319 120.987 120.300 0.613 0.000 2.145 401 Y HA -0.270 4.280 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 1.344 59.728 58.100 0.473 0.000 1.148 401 Y CB -0.643 38.100 38.460 0.472 0.000 0.981 401 Y HN 0.145 nan 8.280 nan 0.000 0.507 402 L N -0.398 121.111 121.223 0.477 0.000 1.955 402 L HA -0.178 4.162 4.340 -0.000 0.000 0.213 402 L C 2.282 179.230 176.870 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 -0.482 119.487 119.914 0.090 0.000 2.407 403 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 403 V C 2.591 178.728 176.094 0.071 0.000 1.055 403 V CA 1.849 64.183 62.300 0.057 0.000 1.049 403 V CB -0.791 31.033 31.823 0.001 0.000 0.662 403 V HN 0.548 nan 8.190 nan 0.000 0.455 404 S N -1.212 114.521 115.700 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 -0.100 0.000 1.026 404 S CA 1.518 59.700 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 0.029 119.063 119.070 -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 0.604 120.555 119.914 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 0.011 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 1.035 121.343 120.300 0.015 0.000 2.224 407 Y HA -0.208 4.342 4.550 -0.000 0.000 0.289 407 Y C 2.559 178.407 175.900 -0.087 0.000 1.146 407 Y CA 1.628 59.642 58.100 -0.143 0.000 1.182 407 Y CB -0.113 38.170 38.460 -0.295 0.000 0.983 407 Y HN 0.239 nan 8.280 nan 0.000 0.524 408 Q N -0.430 119.233 119.800 -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 1.303 56.989 55.803 -0.194 0.000 0.866 408 Q CB -0.558 28.155 28.738 -0.042 0.000 0.931 408 Q HN 0.476 nan 8.270 nan 0.000 0.452 409 V N 0.498 120.468 119.914 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 2.302 64.713 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 0.410 119.508 119.070 0.046 0.000 2.357 410 H HA -0.264 4.292 4.556 -0.000 0.000 0.296 410 H C 2.449 177.596 175.328 -0.302 0.000 1.108 410 H CA 2.425 58.327 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 0.273 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 -0.041 4.299 4.340 -0.000 0.000 0.231 411 R C 2.388 178.723 176.300 0.060 0.000 1.119 411 R CA 1.033 57.017 56.100 -0.193 0.000 0.970 411 R CB -0.264 29.777 30.300 -0.432 0.000 0.864 411 R HN 0.430 nan 8.270 nan 0.000 0.440 412 A N 0.989 123.889 122.820 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 1.181 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 0.346 120.844 120.570 -0.119 0.000 2.151 413 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 413 I C 2.009 177.994 176.117 -0.220 0.000 1.080 413 I CA 1.512 62.696 61.300 -0.194 0.000 1.339 413 I CB -0.473 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 0.314 118.869 118.700 -0.242 0.000 2.520 414 N HA -0.083 4.657 4.740 -0.000 0.000 0.185 414 N C 1.457 176.911 175.510 -0.092 0.000 1.068 414 N CA 0.956 53.894 53.050 -0.187 0.000 0.911 414 N CB 0.064 38.425 38.487 -0.209 0.000 0.961 414 N HN 0.296 nan 8.380 nan 0.000 0.446 415 S N -0.580 115.091 115.700 -0.049 0.000 2.593 415 S HA 0.184 4.654 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 58.660 58.200 0.006 0.000 0.914 415 S CB 0.658 63.929 63.200 0.119 0.000 0.776 415 S HN 0.569 nan 8.310 nan 0.000 0.523 416 G N 0.995 109.695 108.800 -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 44.643 45.100 -0.250 0.000 0.646 416 G HN 0.802 nan 8.290 nan 0.000 0.517 417 A N 0.416 122.775 122.820 -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 -0.931 0.000 1.113 417 A CA 0.375 51.659 52.037 -1.256 0.000 0.790 417 A CB 0.507 19.191 19.000 -0.527 0.000 1.046 417 A HN 0.312 nan 8.150 nan 0.000 0.496 418 D N 2.784 122.464 120.400 -1.201 0.000 2.402 418 D HA 0.350 4.990 4.640 -0.000 0.000 0.235 418 D C -0.775 175.425 176.300 -0.166 0.000 1.226 418 D CA 0.245 53.960 54.000 -0.475 0.000 0.918 418 D CB 0.238 40.898 40.800 -0.234 0.000 1.043 418 D HN 0.111 nan 8.370 nan 0.000 0.506 419 V N 5.435 125.277 119.914 -0.119 0.000 2.448 419 V HA 0.396 4.516 4.120 -0.000 0.000 0.295 419 V C 1.178 177.210 176.094 -0.102 0.000 1.025 419 V CA -0.720 61.553 62.300 -0.044 0.000 0.859 419 V CB 1.813 33.690 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 -1.151 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 0.097 108.176 108.800 -1.203 0.000 2.519 421 G HA2 0.227 4.187 3.960 -0.000 0.000 0.292 421 G HA3 0.227 4.187 3.960 -0.000 0.000 0.292 421 G C -2.405 172.194 174.900 -0.501 0.000 1.507 421 G CA -0.633 43.752 45.100 -1.193 0.000 0.806 421 G HN 0.077 nan 8.290 nan 0.000 0.523 422 Y N 0.803 120.836 120.300 -0.445 0.000 2.329 422 Y HA 0.737 5.287 4.550 -0.000 0.000 0.328 422 Y C -1.491 174.531 175.900 0.203 0.000 0.992 422 Y CA -1.122 57.005 58.100 0.044 0.000 1.151 422 Y CB 1.573 40.165 38.460 0.219 0.000 1.150 422 Y HN 0.428 nan 8.280 nan 0.000 0.450 423 L N 6.777 127.865 121.223 -0.226 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 54.140 54.840 -0.021 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 2.984 122.016 119.070 -0.063 0.000 2.764 424 H HA 0.018 4.574 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 -0.026 56.005 56.048 -0.028 0.000 1.444 424 H CB 0.745 30.523 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 -0.024 0.000 1.224 425 W CA 0.151 57.466 57.345 -0.050 0.000 1.515 425 W CB -0.605 28.921 29.460 0.110 0.000 1.562 425 W HN 0.747 nan 8.180 nan 0.000 0.455 426 S N 3.385 118.619 115.700 -0.778 0.000 3.027 426 S HA -0.231 4.239 4.470 -0.000 0.000 0.857 426 S C 0.660 175.126 174.600 -0.223 0.000 0.980 426 S CA -0.042 57.811 58.200 -0.579 0.000 1.337 426 S CB -0.607 62.045 63.200 -0.914 0.000 0.952 426 S HN 0.677 nan 8.310 nan 0.000 0.241 427 L N 2.135 123.170 121.223 -0.312 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 -0.380 0.000 1.073 427 L CA 2.377 56.928 54.840 -0.483 0.000 0.744 427 L CB -0.682 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 -0.911 121.719 122.820 -0.317 0.000 2.387 428 A HA 0.421 4.741 4.320 -0.000 0.000 0.303 428 A C -1.099 176.431 177.584 -0.089 0.000 1.145 428 A CA -0.759 51.122 52.037 -0.261 0.000 0.801 428 A CB 0.756 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 1.580 121.948 120.400 -0.053 0.000 2.414 429 D HA 0.250 4.890 4.640 -0.000 0.000 0.242 429 D C -0.007 176.436 176.300 0.238 0.000 1.129 429 D CA 0.576 54.634 54.000 0.097 0.000 0.885 429 D CB 0.464 41.288 40.800 0.040 0.000 1.198 429 D HN 0.645 nan 8.370 nan 0.000 0.437 430 N N 0.378 119.292 118.700 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 4.692 4.550 -0.000 0.000 0.344 431 Y C 0.263 175.952 175.900 -0.352 0.000 0.995 431 Y CA -0.130 57.870 58.100 -0.166 0.000 1.201 431 Y CB 0.645 38.864 38.460 -0.400 0.000 1.151 431 Y HN 0.437 nan 8.280 nan 0.000 0.517 432 E N 7.225 127.142 120.200 -0.470 0.000 2.452 432 E HA 0.012 4.362 4.350 -0.000 0.000 0.293 432 E C -0.333 176.145 176.600 -0.203 0.000 1.535 432 E CA 0.173 56.397 56.400 -0.293 0.000 1.816 432 E CB -0.515 29.155 29.700 -0.050 0.000 1.494 432 E HN 0.891 nan 8.360 nan 0.000 0.464 433 W N 0.256 121.407 121.300 -0.249 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 0.059 0.000 1.426 433 W CA 0.968 58.245 57.345 -0.113 0.000 1.387 433 W CB -1.745 27.648 29.460 -0.111 0.000 0.897 433 W HN 0.319 nan 8.180 nan 0.000 0.509 434 A N -0.382 122.861 122.820 0.704 0.000 2.070 434 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 434 A C 1.754 179.482 177.584 0.240 0.000 1.159 434 A CA 2.288 54.651 52.037 0.543 0.000 0.656 434 A CB -0.920 18.487 19.000 0.678 0.000 0.800 434 A HN 0.438 nan 8.150 nan 0.000 0.453 435 S N -1.227 114.578 115.700 0.175 0.000 2.522 435 S HA 0.375 4.844 4.470 -0.000 0.000 0.227 435 S C 1.296 175.768 174.600 -0.214 0.000 0.986 435 S CA 0.741 58.948 58.200 0.011 0.000 0.929 435 S CB -0.410 62.797 63.200 0.010 0.000 0.769 435 S HN 1.535 nan 8.310 nan 0.000 0.529 436 G N 1.285 109.778 108.800 -0.512 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 0.132 174.652 174.900 -0.634 0.000 1.312 436 G CA -0.078 44.545 45.100 -0.794 0.000 0.896 436 G HN 0.249 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 1.474 59.373 58.000 -0.169 0.000 1.454 437 F CB -0.336 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 -0.146 4.324 4.470 -0.000 0.000 0.235 438 S C 1.137 175.679 174.600 -0.097 0.000 1.019 438 S CA 0.795 58.982 58.200 -0.022 0.000 0.982 438 S CB -0.421 62.739 63.200 -0.066 0.000 0.789 438 S HN 0.099 nan 8.310 nan 0.000 0.490 439 M N 2.928 122.430 119.600 -0.163 0.000 2.151 439 M HA 0.348 4.827 4.480 -0.000 0.000 0.349 439 M C -0.382 175.921 176.300 0.006 0.000 1.284 439 M CA 0.248 55.391 55.300 -0.262 0.000 1.173 439 M CB 0.545 32.796 32.600 -0.582 0.000 1.469 439 M HN 0.224 nan 8.290 nan 0.000 0.439 440 R N 2.624 123.096 120.500 -0.047 0.000 2.205 440 R HA 0.278 4.618 4.340 -0.000 0.000 0.342 440 R C -0.239 176.071 176.300 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 0.428 120.415 119.950 0.061 0.000 2.664 441 F HA 0.226 4.753 4.527 -0.000 0.000 0.303 441 F C 1.533 177.353 175.800 0.033 0.000 1.092 441 F CA -0.295 57.766 58.000 0.100 0.000 1.305 441 F CB 0.913 40.109 39.000 0.328 0.000 1.054 441 F HN 0.539 nan 8.300 nan 0.000 0.565 442 G N -0.107 108.773 108.800 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 0.733 175.622 174.900 -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 0.174 121.360 121.223 -0.061 0.000 2.291 443 L HA 0.150 4.490 4.340 -0.000 0.000 0.214 443 L C 0.628 177.364 176.870 -0.222 0.000 1.120 443 L CA 0.776 55.542 54.840 -0.124 0.000 0.799 443 L CB -0.323 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 -0.113 176.656 176.870 -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 -0.426 0.000 1.259 444 L HN -0.093 nan 8.230 nan 0.000 0.418 445 K N 2.266 122.622 120.400 -0.073 0.000 2.174 445 K HA 0.550 4.870 4.320 -0.000 0.000 0.275 445 K C -1.124 175.441 176.600 -0.058 0.000 1.015 445 K CA -0.492 55.763 56.287 -0.054 0.000 0.933 445 K CB 1.453 33.943 32.500 -0.017 0.000 1.025 445 K HN 0.379 nan 8.250 nan 0.000 0.463 446 V N 3.556 123.349 119.914 -0.202 0.000 2.417 446 V HA 0.091 4.211 4.120 -0.000 0.000 0.291 446 V C -0.527 175.350 176.094 -0.361 0.000 1.024 446 V CA -0.842 61.247 62.300 -0.352 0.000 0.861 446 V CB 1.452 32.850 31.823 -0.709 0.000 0.985 446 V HN 0.816 nan 8.190 nan 0.000 0.436 447 D N 3.334 123.647 120.400 -0.145 0.000 2.468 447 D HA 0.174 4.813 4.640 -0.000 0.000 0.218 447 D C 0.619 176.839 176.300 -0.133 0.000 1.155 447 D CA -0.244 53.717 54.000 -0.064 0.000 0.924 447 D CB 0.486 41.357 40.800 0.118 0.000 1.029 447 D HN 0.482 nan 8.370 nan 0.000 0.515 448 Y N 2.256 122.508 120.300 -0.080 0.000 2.538 448 Y HA -0.151 4.399 4.550 -0.000 0.000 0.287 448 Y C 1.902 177.748 175.900 -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 37.894 38.460 -0.342 0.000 0.970 448 Y HN 0.410 nan 8.280 nan 0.000 0.564 449 N N -1.301 117.442 118.700 0.072 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 1.565 54.648 53.050 0.056 0.000 0.893 449 N CB 0.079 38.594 38.487 0.047 0.000 0.980 449 N HN 0.359 nan 8.380 nan 0.000 0.439 450 T N -3.864 110.710 114.554 0.032 0.000 3.058 450 T HA 0.250 4.600 4.350 -0.000 0.000 0.278 450 T C 0.242 174.949 174.700 0.011 0.000 0.974 450 T CA -0.349 61.765 62.100 0.023 0.000 0.893 450 T CB 0.433 69.315 68.868 0.023 0.000 1.138 450 T HN -0.127 nan 8.240 nan 0.000 0.529 451 K N 0.412 120.813 120.400 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 56.953 56.287 0.001 0.000 0.920 451 K CB -1.748 30.790 32.500 0.062 0.000 1.240 451 K HN 0.682 nan 8.250 nan 0.000 0.453 452 R N 1.155 121.605 120.500 -0.084 0.000 2.543 452 R HA 0.364 4.704 4.340 -0.000 0.000 0.277 452 R C 0.067 176.196 176.300 -0.285 0.000 1.074 452 R CA -0.220 55.767 56.100 -0.187 0.000 1.076 452 R CB 0.472 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 4.243 125.243 121.223 -0.372 0.000 2.331 453 L HA 0.476 4.816 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 1.275 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 -0.883 119.387 120.300 -0.049 0.000 2.512 454 Y HA 0.355 4.905 4.550 -0.000 0.000 0.348 454 Y C -0.885 175.075 175.900 0.100 0.000 0.990 454 Y CA -0.571 57.565 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 3.579 124.916 121.300 0.063 0.000 2.335 455 W HA 0.534 5.194 4.660 -0.000 0.000 0.306 455 W C 0.102 176.635 176.519 0.024 0.000 1.216 455 W CA -0.903 56.448 57.345 0.010 0.000 1.237 455 W CB 0.550 30.006 29.460 -0.007 0.000 1.243 455 W HN 0.260 nan 8.180 nan 0.000 0.493 456 R N 4.278 124.840 120.500 0.103 0.000 2.459 456 R HA 0.159 4.499 4.340 -0.000 0.000 0.281 456 R C -1.333 175.029 176.300 0.104 0.000 1.050 456 R CA -1.444 54.700 56.100 0.072 0.000 1.055 456 R CB 0.516 30.820 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 0.888 178.242 177.300 0.090 0.000 1.148 457 P CA 1.577 64.741 63.100 0.107 0.000 0.834 457 P CB 0.190 31.943 31.700 0.088 0.000 0.783 458 S N -1.425 114.310 115.700 0.058 0.000 2.474 458 S HA -0.014 4.456 4.470 -0.000 0.000 0.235 458 S C 1.961 176.571 174.600 0.016 0.000 0.997 458 S CA 0.854 59.073 58.200 0.032 0.000 0.949 458 S CB -1.045 62.169 63.200 0.024 0.000 0.766 458 S HN 0.126 nan 8.310 nan 0.000 0.517 459 A N 2.329 125.151 122.820 0.004 0.000 1.897 459 A HA 0.207 4.526 4.320 -0.000 0.000 0.215 459 A C 2.191 179.836 177.584 0.102 0.000 1.181 459 A CA 1.098 53.082 52.037 -0.089 0.000 0.620 459 A CB -0.780 17.987 19.000 -0.388 0.000 0.821 459 A HN 0.519 nan 8.150 nan 0.000 0.443 460 L N -0.401 120.976 121.223 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 -0.435 41.765 42.059 0.235 0.000 0.908 460 L HN 0.229 nan 8.230 nan 0.000 0.438 461 V N -1.471 118.511 119.914 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 1.330 63.675 62.300 0.074 0.000 1.053 461 V CB -0.562 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 2.744 178.592 175.900 -0.086 0.000 1.137 462 Y CA 1.652 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 0.416 120.938 120.500 0.037 0.000 2.159 463 R HA -0.158 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 1.613 57.714 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 0.424 120.617 120.200 -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 0.908 57.297 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 1.051 121.539 120.570 -0.137 0.000 2.233 465 I HA -0.198 3.972 4.170 -0.000 0.000 0.243 465 I C 2.534 178.387 176.117 -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 0.529 123.038 122.820 -0.517 0.000 1.841 466 A HA -0.191 4.129 4.320 -0.000 0.000 0.214 466 A C 2.349 179.871 177.584 -0.102 0.000 1.195 466 A CA 2.340 54.149 52.037 -0.379 0.000 0.611 466 A CB -1.232 17.512 19.000 -0.427 0.000 0.835 466 A HN 0.318 nan 8.150 nan 0.000 0.443 467 T N 0.129 114.634 114.554 -0.081 0.000 2.946 467 T HA -0.085 4.264 4.350 -0.000 0.000 0.271 467 T C 1.392 176.099 174.700 0.011 0.000 1.104 467 T CA 1.462 63.556 62.100 -0.011 0.000 1.114 467 T CB -0.389 68.477 68.868 -0.004 0.000 0.867 467 T HN 0.514 nan 8.240 nan 0.000 0.513 468 N N -0.804 117.897 118.700 0.002 0.000 2.210 468 N HA 0.133 4.873 4.740 -0.000 0.000 0.203 468 N C 1.233 176.799 175.510 0.094 0.000 1.175 468 N CA 0.597 53.669 53.050 0.037 0.000 0.894 468 N CB 0.996 39.496 38.487 0.021 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 0.129 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 -0.002 175.141 174.900 0.404 0.000 1.024 469 G CA 0.728 46.011 45.100 0.305 0.000 0.784 469 G HN 0.661 nan 8.290 nan 0.000 0.507 470 A N -1.431 121.555 122.820 0.277 0.000 2.567 470 A HA 0.671 4.990 4.320 -0.000 0.000 0.291 470 A C -0.513 177.177 177.584 0.177 0.000 1.048 470 A CA -0.514 51.704 52.037 0.301 0.000 0.661 470 A CB 0.634 19.724 19.000 0.149 0.000 1.288 470 A HN 0.815 nan 8.150 nan 0.000 0.424 471 I N 2.956 123.648 120.570 0.202 0.000 2.329 471 I HA 0.208 4.378 4.170 -0.000 0.000 0.295 471 I C 1.199 177.345 176.117 0.049 0.000 1.109 471 I CA 0.044 61.438 61.300 0.156 0.000 1.297 471 I CB 0.713 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 0.029 4.379 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 1.047 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 0.528 120.896 120.400 -0.054 0.000 2.144 473 D HA -0.126 4.513 4.640 -0.000 0.000 0.200 473 D C 2.127 178.421 176.300 -0.011 0.000 0.978 473 D CA 1.429 55.393 54.000 -0.060 0.000 0.833 473 D CB -0.118 40.639 40.800 -0.072 0.000 0.961 473 D HN 0.929 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 0.614 57.027 56.400 0.021 0.000 0.861 474 E CB -0.366 29.339 29.700 0.007 0.000 0.788 474 E HN 0.452 nan 8.360 nan 0.000 0.521 475 I N -2.538 118.096 120.570 0.107 0.000 4.009 475 I HA 0.290 4.460 4.170 -0.000 0.000 0.331 475 I C 1.539 177.709 176.117 0.088 0.000 1.462 475 I CA -0.410 60.973 61.300 0.139 0.000 1.117 475 I CB 0.317 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 0.961 57.411 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 -0.824 118.234 119.070 -0.021 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 1.057 121.912 121.223 -0.612 0.000 2.456 478 L HA -0.071 4.269 4.340 -0.000 0.000 0.224 478 L C 1.408 178.222 176.870 -0.093 0.000 1.148 478 L CA 0.488 55.027 54.840 -0.502 0.000 0.825 478 L CB -0.454 41.269 42.059 -0.559 0.000 0.937 478 L HN 0.323 nan 8.230 nan 0.000 0.450 479 N N 0.948 119.601 118.700 -0.079 0.000 3.103 479 N HA 0.010 4.750 4.740 -0.000 0.000 0.305 479 N C -0.465 175.033 175.510 -0.020 0.000 1.232 479 N CA -0.041 52.966 53.050 -0.071 0.000 1.190 479 N CB 0.173 38.513 38.487 -0.245 0.000 1.461 479 N HN 0.244 nan 8.380 nan 0.000 0.538 480 S N -0.958 114.824 115.700 0.138 0.000 2.643 480 S HA 0.283 4.753 4.470 -0.000 0.000 0.270 480 S C -0.605 174.052 174.600 0.094 0.000 1.166 480 S CA -0.909 57.358 58.200 0.112 0.000 0.815 480 S CB 1.206 64.462 63.200 0.094 0.000 1.139 480 S HN -0.081 nan 8.310 nan 0.000 0.472 481 V N 2.316 122.145 119.914 -0.143 0.000 2.572 481 V HA 0.329 4.449 4.120 -0.000 0.000 0.291 481 V C -2.230 173.427 176.094 -0.729 0.000 1.039 481 V CA -1.185 60.765 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 0.268 482 P C -2.594 174.364 177.300 -0.571 0.000 1.205 482 P CA -0.980 61.485 63.100 -1.058 0.000 0.771 482 P CB -0.133 31.165 31.700 -0.670 0.000 0.858 483 P HA -0.079 nan 4.420 nan 0.000 0.261 483 P C 1.091 178.303 177.300 -0.147 0.000 1.203 483 P CA 0.281 63.250 63.100 -0.217 0.000 0.767 483 P CB 0.233 31.849 31.700 -0.141 0.000 0.785 484 V N 2.848 122.699 119.914 -0.105 0.000 2.548 484 V HA -0.206 3.913 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 1.218 63.509 62.300 -0.015 0.000 1.065 484 V CB -0.976 30.801 31.823 -0.077 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 4.152 4.320 -0.000 0.000 0.218 485 K C 0.509 177.147 176.600 0.062 0.000 1.054 485 K CA 2.495 58.840 56.287 0.097 0.000 0.941 485 K CB -2.166 30.350 32.500 0.027 0.000 0.720 485 K HN 0.496 nan 8.250 nan 0.000 0.449 486 P HA 0.015 nan 4.420 nan 0.000 0.229 486 P C 0.393 177.635 177.300 -0.096 0.000 1.160 486 P CA 0.588 63.647 63.100 -0.067 0.000 0.777 486 P CB 0.138 31.779 31.700 -0.098 0.000 0.814 487 L N -0.616 120.580 121.223 -0.045 0.000 2.421 487 L HA 0.312 4.651 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 -1.134 53.684 54.840 -0.036 0.000 0.804 487 L CB 0.514 42.596 42.059 0.038 0.000 1.150 487 L HN -0.139 nan 8.230 nan 0.000 0.457 488 R N 0.535 120.981 120.500 -0.089 0.000 2.734 488 R HA 0.143 4.483 4.340 -0.000 0.000 0.266 488 R C -0.939 175.353 176.300 -0.012 0.000 1.044 488 R CA -0.097 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