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 3cir_1_A DATA FIRST_RESID 0 DATA SEQUENCE MQTFQADLAI VGAGGAGLRA AIAAAQANPN AKIALISKVY PMRSHTVAAE DATA SEQUENCE GGSAAVAQDH DSFEYHFHDT VAGGDWLCEQ DVVDYFVHHC PTEMTQLELW DATA SEQUENCE GCPWSRRPDG SVNVRRFGGM KIERTWFAAD KTGFHMLHTL FQTSLQFPQI DATA SEQUENCE QRFDEHFVLD ILVDDGHVRG LVAMNMMEGT LVQIRANAVV MATGGAGRVY DATA SEQUENCE RYNTNGGIVT GDGMGMALSH GVPLRDMEFV QYHPAGLPGS GILMTEGCRG DATA SEQUENCE EGGIXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXRDK VSQAFWHEWR DATA SEQUENCE KGNTISTPRG XXXYLDLRHL GEKKLHERLP FICELAKAYV GVDPVKEPIP DATA SEQUENCE VRPTAHYTMG GIETDQNCET RIKGLFAVGE CSSVGLHGAN RLGSNSLAEL DATA SEQUENCE VVFGRLAGEQ ATERAATAGN GNEAAIEAQA AGVEQRLKDL VNQDGGENWA DATA SEQUENCE KIRDEMGLAM EEGCGIYRTP ELMQKTIDKL AELQERFKRV RITDTSSVFN DATA SEQUENCE TDLLYTIELG HGLNVAECMA HSAMARKESR GAHQRLDEGC TERDDVNFLK DATA SEQUENCE HTLAFRDADG TTRLEYSDVK ITTLPPA 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.347 176.300 0.078 0.000 1.140 0 M CA 0.000 55.333 55.300 0.055 0.000 0.988 0 M CB 0.000 32.626 32.600 0.043 0.000 1.302 1 Q N 1.506 121.371 119.800 0.109 0.000 2.333 1 Q HA 0.290 4.644 4.340 0.023 0.000 0.299 1 Q C -0.780 175.337 176.000 0.195 0.000 1.067 1 Q CA 1.023 56.920 55.803 0.157 0.000 0.943 1 Q CB 0.724 29.603 28.738 0.235 0.000 1.233 1 Q HN 0.670 nan 8.270 nan 0.000 0.401 2 T N 4.680 119.334 114.554 0.166 0.000 2.791 2 T HA 0.417 4.781 4.350 0.023 0.000 0.288 2 T C -1.086 173.718 174.700 0.173 0.000 0.999 2 T CA -0.351 61.847 62.100 0.162 0.000 0.952 2 T CB 0.188 69.100 68.868 0.074 0.000 0.938 2 T HN 0.289 nan 8.240 nan 0.000 0.444 3 F N 2.764 122.733 119.950 0.032 0.000 2.421 3 F HA 0.475 5.009 4.527 0.012 0.000 0.337 3 F C 0.618 176.435 175.800 0.028 0.000 1.105 3 F CA -0.799 57.235 58.000 0.055 0.000 1.049 3 F CB 1.532 40.586 39.000 0.091 0.000 1.139 3 F HN 0.246 nan 8.300 nan 0.000 0.479 4 Q N 2.416 122.307 119.800 0.151 0.000 2.309 4 Q HA 0.841 5.195 4.340 0.023 0.000 0.264 4 Q C -0.843 175.230 176.000 0.122 0.000 1.008 4 Q CA -0.788 55.074 55.803 0.099 0.000 0.853 4 Q CB 2.266 31.027 28.738 0.039 0.000 1.314 4 Q HN 0.779 nan 8.270 nan 0.000 0.448 5 A N 1.668 124.543 122.820 0.093 0.000 2.599 5 A HA 0.461 4.795 4.320 0.023 0.000 0.290 5 A C -0.238 177.379 177.584 0.055 0.000 1.101 5 A CA -0.545 51.544 52.037 0.087 0.000 0.674 5 A CB 1.014 20.076 19.000 0.104 0.000 1.277 5 A HN 0.629 nan 8.150 nan 0.000 0.419 6 D N -0.606 119.821 120.400 0.045 0.000 2.106 6 D HA 0.111 4.765 4.640 0.023 0.000 0.203 6 D C 0.403 176.722 176.300 0.030 0.000 0.977 6 D CA 1.949 55.969 54.000 0.033 0.000 0.844 6 D CB -0.026 40.789 40.800 0.024 0.000 1.002 6 D HN 0.511 nan 8.370 nan 0.000 0.461 7 L N -1.968 119.267 121.223 0.020 0.000 2.388 7 L HA 0.778 5.132 4.340 0.023 0.000 0.264 7 L C -1.195 175.676 176.870 0.003 0.000 0.998 7 L CA -1.270 53.576 54.840 0.010 0.000 0.817 7 L CB 2.267 44.317 42.059 -0.014 0.000 1.338 7 L HN -0.120 nan 8.230 nan 0.000 0.414 8 A N 3.377 126.193 122.820 -0.006 0.000 2.355 8 A HA 0.942 5.276 4.320 0.023 0.000 0.324 8 A C -0.782 176.785 177.584 -0.030 0.000 1.117 8 A CA -0.562 51.460 52.037 -0.025 0.000 0.785 8 A CB 1.046 20.013 19.000 -0.055 0.000 1.254 8 A HN 0.767 nan 8.150 nan 0.000 0.453 9 I N 1.712 122.261 120.570 -0.035 0.000 2.478 9 I HA 0.379 4.563 4.170 0.023 0.000 0.287 9 I C -0.555 175.534 176.117 -0.046 0.000 1.042 9 I CA -0.921 60.359 61.300 -0.034 0.000 1.067 9 I CB 1.896 39.880 38.000 -0.026 0.000 1.233 9 I HN 0.412 nan 8.210 nan 0.000 0.431 10 V N 6.452 126.333 119.914 -0.054 0.000 2.481 10 V HA 0.899 5.033 4.120 0.023 0.000 0.286 10 V C 0.314 176.371 176.094 -0.063 0.000 1.042 10 V CA 0.455 62.711 62.300 -0.073 0.000 0.928 10 V CB 1.046 32.814 31.823 -0.091 0.000 0.986 10 V HN 1.051 nan 8.190 nan 0.000 0.462 11 G N 4.574 113.333 108.800 -0.068 0.000 3.039 11 G HA2 0.316 4.290 3.960 0.023 0.000 0.686 11 G HA3 0.316 4.290 3.960 0.023 0.000 0.686 11 G C -0.165 174.716 174.900 -0.032 0.000 1.066 11 G CA -0.201 44.864 45.100 -0.057 0.000 0.774 11 G HN 2.114 nan 8.290 nan 0.000 0.591 12 A N 1.918 124.717 122.820 -0.034 0.000 2.985 12 A HA 0.811 5.145 4.320 0.023 0.000 0.303 12 A C 1.267 178.834 177.584 -0.027 0.000 1.048 12 A CA 1.056 53.080 52.037 -0.021 0.000 1.016 12 A CB -0.139 18.843 19.000 -0.030 0.000 1.118 12 A HN 2.163 nan 8.150 nan 0.000 0.529 13 G N -0.493 108.303 108.800 -0.008 0.000 2.504 13 G HA2 0.414 4.388 3.960 0.023 0.000 0.257 13 G HA3 0.414 4.388 3.960 0.023 0.000 0.257 13 G C 1.125 176.039 174.900 0.023 0.000 1.451 13 G CA 0.195 45.297 45.100 0.004 0.000 1.059 13 G HN 0.555 nan 8.290 nan 0.000 0.550 14 G N -0.317 108.509 108.800 0.043 0.000 2.402 14 G HA2 0.079 4.053 3.960 0.023 0.000 0.216 14 G HA3 0.079 4.053 3.960 0.023 0.000 0.216 14 G C 1.975 176.926 174.900 0.085 0.000 1.162 14 G CA 1.827 46.968 45.100 0.068 0.000 0.777 14 G HN 0.878 nan 8.290 nan 0.000 0.539 15 A N 0.941 123.813 122.820 0.087 0.000 1.877 15 A HA 0.160 4.494 4.320 0.023 0.000 0.216 15 A C 2.692 180.315 177.584 0.065 0.000 1.186 15 A CA 2.154 54.248 52.037 0.095 0.000 0.620 15 A CB -1.178 17.880 19.000 0.096 0.000 0.822 15 A HN 0.524 nan 8.150 nan 0.000 0.443 16 G N 0.143 108.969 108.800 0.042 0.000 2.511 16 G HA2 -0.217 3.757 3.960 0.023 0.000 0.216 16 G HA3 -0.217 3.757 3.960 0.023 0.000 0.216 16 G C 1.552 176.463 174.900 0.018 0.000 1.218 16 G CA 1.168 46.280 45.100 0.021 0.000 0.788 16 G HN 0.441 nan 8.290 nan 0.000 0.560 17 L N -0.096 121.145 121.223 0.029 0.000 2.043 17 L HA -0.125 4.228 4.340 0.023 0.000 0.212 17 L C 2.913 179.787 176.870 0.007 0.000 1.075 17 L CA 1.524 56.379 54.840 0.025 0.000 0.752 17 L CB -0.480 41.613 42.059 0.057 0.000 0.891 17 L HN 0.137 nan 8.230 nan 0.000 0.432 18 R N 0.685 121.215 120.500 0.049 0.000 2.103 18 R HA -0.176 4.178 4.340 0.023 0.000 0.242 18 R C 2.246 178.562 176.300 0.028 0.000 1.142 18 R CA 1.753 57.901 56.100 0.079 0.000 0.960 18 R CB -0.662 29.713 30.300 0.124 0.000 0.858 18 R HN 0.383 nan 8.270 nan 0.000 0.439 19 A N -0.215 122.610 122.820 0.009 0.000 1.898 19 A HA -0.007 4.327 4.320 0.023 0.000 0.216 19 A C 2.337 179.880 177.584 -0.068 0.000 1.181 19 A CA 1.670 53.689 52.037 -0.030 0.000 0.620 19 A CB -0.953 18.030 19.000 -0.028 0.000 0.819 19 A HN 0.470 nan 8.150 nan 0.000 0.442 20 A N 0.090 122.870 122.820 -0.067 0.000 1.873 20 A HA -0.057 4.277 4.320 0.023 0.000 0.215 20 A C 2.118 179.591 177.584 -0.185 0.000 1.186 20 A CA 1.471 53.449 52.037 -0.098 0.000 0.616 20 A CB -0.629 18.331 19.000 -0.065 0.000 0.823 20 A HN 0.480 nan 8.150 nan 0.000 0.442 21 I N -0.110 120.323 120.570 -0.229 0.000 2.163 21 I HA -0.310 3.874 4.170 0.023 0.000 0.243 21 I C 2.972 178.873 176.117 -0.359 0.000 1.085 21 I CA 1.199 62.235 61.300 -0.440 0.000 1.347 21 I CB -0.388 37.393 38.000 -0.365 0.000 1.044 21 I HN 0.362 nan 8.210 nan 0.000 0.408 22 A N 0.714 123.444 122.820 -0.151 0.000 1.933 22 A HA -0.148 4.186 4.320 0.023 0.000 0.218 22 A C 2.553 180.065 177.584 -0.121 0.000 1.175 22 A CA 1.775 53.756 52.037 -0.093 0.000 0.628 22 A CB -0.797 18.178 19.000 -0.041 0.000 0.814 22 A HN 0.444 nan 8.150 nan 0.000 0.444 23 A N -0.021 122.718 122.820 -0.136 0.000 1.908 23 A HA 0.115 4.449 4.320 0.023 0.000 0.218 23 A C 2.502 180.018 177.584 -0.114 0.000 1.181 23 A CA 2.220 54.188 52.037 -0.116 0.000 0.627 23 A CB -1.045 17.889 19.000 -0.110 0.000 0.818 23 A HN 1.029 nan 8.150 nan 0.000 0.445 24 A N -0.651 122.057 122.820 -0.188 0.000 1.835 24 A HA -0.247 4.087 4.320 0.023 0.000 0.215 24 A C 2.122 179.631 177.584 -0.125 0.000 1.199 24 A CA 1.755 53.672 52.037 -0.200 0.000 0.615 24 A CB -0.810 17.888 19.000 -0.503 0.000 0.838 24 A HN 0.622 nan 8.150 nan 0.000 0.444 25 Q N -0.777 118.917 119.800 -0.177 0.000 2.181 25 Q HA -0.149 4.205 4.340 0.023 0.000 0.205 25 Q C 2.352 178.350 176.000 -0.003 0.000 0.980 25 Q CA 1.374 57.162 55.803 -0.024 0.000 0.862 25 Q CB -0.395 28.346 28.738 0.006 0.000 0.905 25 Q HN 0.707 nan 8.270 nan 0.000 0.429 26 A N 1.007 123.807 122.820 -0.033 0.000 1.898 26 A HA -0.102 4.232 4.320 0.023 0.000 0.216 26 A C 1.063 178.642 177.584 -0.009 0.000 1.181 26 A CA 1.027 53.051 52.037 -0.021 0.000 0.620 26 A CB 0.108 19.083 19.000 -0.041 0.000 0.819 26 A HN 0.229 nan 8.150 nan 0.000 0.442 27 N N -1.395 117.297 118.700 -0.012 0.000 2.609 27 N HA 0.339 5.093 4.740 0.023 0.000 0.268 27 N C -2.701 172.818 175.510 0.015 0.000 1.106 27 N CA -1.949 51.103 53.050 0.002 0.000 0.823 27 N CB 1.505 39.989 38.487 -0.004 0.000 1.263 27 N HN -0.190 nan 8.380 nan 0.000 0.533 28 P HA -0.027 nan 4.420 nan 0.000 0.219 28 P C 0.462 177.789 177.300 0.044 0.000 1.146 28 P CA 1.036 64.169 63.100 0.054 0.000 0.808 28 P CB 0.376 32.109 31.700 0.056 0.000 0.779 29 N N -0.993 117.725 118.700 0.030 0.000 2.336 29 N HA 0.108 4.862 4.740 0.023 0.000 0.189 29 N C 0.586 176.111 175.510 0.025 0.000 1.113 29 N CA 0.031 53.096 53.050 0.026 0.000 0.858 29 N CB 0.039 38.539 38.487 0.020 0.000 0.970 29 N HN 0.070 nan 8.380 nan 0.000 0.471 30 A N 0.997 123.831 122.820 0.023 0.000 2.425 30 A HA 0.159 4.493 4.320 0.023 0.000 0.242 30 A C 0.620 178.222 177.584 0.030 0.000 1.077 30 A CA 0.162 52.212 52.037 0.020 0.000 0.781 30 A CB 0.577 19.581 19.000 0.006 0.000 1.020 30 A HN -0.087 nan 8.150 nan 0.000 0.494 31 K N 2.707 123.127 120.400 0.035 0.000 2.527 31 K HA 0.432 4.766 4.320 0.023 0.000 0.240 31 K C -1.386 175.248 176.600 0.057 0.000 0.989 31 K CA -0.056 56.262 56.287 0.052 0.000 0.985 31 K CB 0.295 32.831 32.500 0.059 0.000 1.221 31 K HN 0.656 nan 8.250 nan 0.000 0.458 32 I N 2.543 123.144 120.570 0.051 0.000 2.353 32 I HA 0.299 4.483 4.170 0.023 0.000 0.293 32 I C 0.293 176.458 176.117 0.080 0.000 0.992 32 I CA -0.839 60.486 61.300 0.042 0.000 1.268 32 I CB 1.785 39.789 38.000 0.006 0.000 1.387 32 I HN 0.450 nan 8.210 nan 0.000 0.478 33 A N 7.909 130.777 122.820 0.080 0.000 2.253 33 A HA 0.541 4.875 4.320 0.023 0.000 0.316 33 A C -0.630 177.008 177.584 0.089 0.000 1.327 33 A CA -0.444 51.679 52.037 0.142 0.000 0.917 33 A CB 0.551 19.606 19.000 0.093 0.000 1.162 33 A HN 0.762 nan 8.150 nan 0.000 0.535 34 L N 4.127 125.428 121.223 0.129 0.000 2.264 34 L HA 0.583 4.936 4.340 0.023 0.000 0.289 34 L C -1.419 175.506 176.870 0.091 0.000 1.044 34 L CA -0.609 54.275 54.840 0.073 0.000 0.807 34 L CB 0.754 42.850 42.059 0.063 0.000 1.192 34 L HN 0.623 nan 8.230 nan 0.000 0.425 35 I N 3.898 124.476 120.570 0.013 0.000 2.646 35 I HA 0.538 4.721 4.170 0.023 0.000 0.299 35 I C -0.262 175.837 176.117 -0.031 0.000 1.036 35 I CA -0.162 61.133 61.300 -0.009 0.000 1.074 35 I CB 2.139 40.075 38.000 -0.107 0.000 1.258 35 I HN 0.462 nan 8.210 nan 0.000 0.430 36 S N 2.879 118.566 115.700 -0.022 0.000 2.535 36 S HA 0.367 4.851 4.470 0.023 0.000 0.272 36 S C 0.095 174.665 174.600 -0.052 0.000 1.149 36 S CA -0.846 57.318 58.200 -0.059 0.000 0.888 36 S CB 1.145 64.305 63.200 -0.066 0.000 1.110 36 S HN 0.720 nan 8.310 nan 0.000 0.463 37 K N 1.634 121.977 120.400 -0.095 0.000 2.525 37 K HA 0.230 4.564 4.320 0.023 0.000 0.192 37 K C 0.477 177.078 176.600 0.002 0.000 1.029 37 K CA 0.489 56.740 56.287 -0.061 0.000 1.029 37 K CB -0.416 31.979 32.500 -0.175 0.000 0.814 37 K HN 0.569 nan 8.250 nan 0.000 0.503 38 V N -2.823 117.080 119.914 -0.017 0.000 3.087 38 V HA 0.368 4.502 4.120 0.023 0.000 0.306 38 V C -1.070 175.015 176.094 -0.015 0.000 1.187 38 V CA -1.591 60.736 62.300 0.044 0.000 0.999 38 V CB 0.694 32.568 31.823 0.085 0.000 1.049 38 V HN 0.046 nan 8.190 nan 0.000 0.431 39 Y N 3.182 123.467 120.300 -0.024 0.000 2.632 39 Y HA 0.239 4.805 4.550 0.026 0.000 0.329 39 Y C -1.202 174.547 175.900 -0.251 0.000 1.174 39 Y CA -0.453 57.576 58.100 -0.118 0.000 1.469 39 Y CB 0.359 38.755 38.460 -0.106 0.000 1.242 39 Y HN 0.533 nan 8.280 nan 0.000 0.540 40 P HA -0.353 nan 4.420 nan 0.000 0.224 40 P C 1.382 178.398 177.300 -0.472 0.000 1.154 40 P CA 2.542 65.394 63.100 -0.412 0.000 0.868 40 P CB -0.086 31.243 31.700 -0.618 0.000 0.782 41 M N -3.896 115.341 119.600 -0.604 0.000 2.562 41 M HA 0.088 4.582 4.480 0.023 0.000 0.257 41 M C 1.128 177.309 176.300 -0.199 0.000 1.099 41 M CA 1.507 56.488 55.300 -0.532 0.000 1.099 41 M CB -0.265 32.009 32.600 -0.543 0.000 1.427 41 M HN -0.262 nan 8.290 nan 0.000 0.489 42 R N 1.168 121.607 120.500 -0.103 0.000 2.359 42 R HA 0.349 4.703 4.340 0.023 0.000 0.231 42 R C -0.018 176.297 176.300 0.024 0.000 0.913 42 R CA -0.058 56.048 56.100 0.011 0.000 1.075 42 R CB -0.266 30.072 30.300 0.063 0.000 1.087 42 R HN 0.303 nan 8.270 nan 0.000 0.515 43 S N 0.085 115.770 115.700 -0.024 0.000 2.584 43 S HA -0.055 4.429 4.470 0.023 0.000 0.270 43 S C 0.952 175.598 174.600 0.076 0.000 1.346 43 S CA -0.307 57.903 58.200 0.017 0.000 1.018 43 S CB 0.646 63.832 63.200 -0.023 0.000 0.899 43 S HN 0.376 nan 8.310 nan 0.000 0.542 44 H N 1.941 121.016 119.070 0.009 0.000 2.489 44 H HA -0.063 4.507 4.556 0.023 0.000 0.295 44 H C 1.869 177.216 175.328 0.031 0.000 1.082 44 H CA 1.981 58.045 56.048 0.027 0.000 1.295 44 H CB -0.446 29.334 29.762 0.031 0.000 1.380 44 H HN 0.594 nan 8.280 nan 0.000 0.548 45 T N -0.871 113.667 114.554 -0.027 0.000 2.849 45 T HA -0.155 4.209 4.350 0.023 0.000 0.270 45 T C 2.088 176.733 174.700 -0.091 0.000 1.066 45 T CA 1.131 63.196 62.100 -0.059 0.000 1.130 45 T CB -0.554 68.315 68.868 0.002 0.000 0.864 45 T HN 0.241 nan 8.240 nan 0.000 0.481 46 V N 0.996 120.867 119.914 -0.072 0.000 3.026 46 V HA 0.008 4.142 4.120 0.023 0.000 0.265 46 V C 2.213 178.265 176.094 -0.069 0.000 1.121 46 V CA 1.451 63.747 62.300 -0.006 0.000 1.142 46 V CB -0.649 31.211 31.823 0.062 0.000 0.730 46 V HN 0.518 nan 8.190 nan 0.000 0.503 47 A N -0.383 122.289 122.820 -0.247 0.000 2.147 47 A HA 0.579 4.913 4.320 0.023 0.000 0.211 47 A C 1.394 178.810 177.584 -0.280 0.000 1.160 47 A CA 0.644 52.488 52.037 -0.321 0.000 0.781 47 A CB -0.314 18.406 19.000 -0.467 0.000 0.842 47 A HN 0.733 nan 8.150 nan 0.000 0.475 48 A N 0.402 123.102 122.820 -0.199 0.000 2.540 48 A HA 0.347 4.681 4.320 0.023 0.000 0.239 48 A C 0.640 178.165 177.584 -0.098 0.000 1.061 48 A CA 0.435 52.410 52.037 -0.105 0.000 0.758 48 A CB 0.045 19.020 19.000 -0.043 0.000 0.991 48 A HN 0.545 nan 8.150 nan 0.000 0.502 49 E N 2.120 122.262 120.200 -0.096 0.000 2.421 49 E HA 0.078 4.442 4.350 0.023 0.000 0.209 49 E C 1.896 178.432 176.600 -0.107 0.000 0.871 49 E CA 0.500 56.847 56.400 -0.089 0.000 1.064 49 E CB 0.204 29.848 29.700 -0.095 0.000 1.075 49 E HN 0.791 nan 8.360 nan 0.000 0.513 50 G N 1.714 110.354 108.800 -0.266 0.000 2.736 50 G HA2 0.164 4.138 3.960 0.023 0.000 0.214 50 G HA3 0.164 4.138 3.960 0.023 0.000 0.214 50 G C 0.700 175.403 174.900 -0.328 0.000 1.327 50 G CA 0.897 45.601 45.100 -0.660 0.000 0.818 50 G HN 0.438 nan 8.290 nan 0.000 0.611 51 G N -2.320 106.369 108.800 -0.185 0.000 2.321 51 G HA2 0.448 4.422 3.960 0.023 0.000 0.298 51 G HA3 0.448 4.422 3.960 0.023 0.000 0.298 51 G C -1.206 173.796 174.900 0.169 0.000 1.385 51 G CA 0.480 45.669 45.100 0.149 0.000 0.856 51 G HN 0.918 nan 8.290 nan 0.000 0.584 52 S N -0.910 114.965 115.700 0.292 0.000 2.501 52 S HA 0.806 5.290 4.470 0.023 0.000 0.301 52 S C 0.458 175.118 174.600 0.101 0.000 1.096 52 S CA 0.498 58.819 58.200 0.201 0.000 1.063 52 S CB 1.122 64.467 63.200 0.243 0.000 1.042 52 S HN 1.986 nan 8.310 nan 0.000 0.494 53 A N 2.813 125.709 122.820 0.126 0.000 2.316 53 A HA 0.864 5.198 4.320 0.023 0.000 0.284 53 A C 0.064 177.568 177.584 -0.134 0.000 1.115 53 A CA -0.133 51.957 52.037 0.088 0.000 0.812 53 A CB 0.404 19.557 19.000 0.256 0.000 1.064 53 A HN 1.762 nan 8.150 nan 0.000 0.489 54 A N 1.659 124.353 122.820 -0.211 0.000 2.549 54 A HA 0.504 4.838 4.320 0.023 0.000 0.306 54 A C -0.635 176.894 177.584 -0.091 0.000 1.053 54 A CA -0.559 51.291 52.037 -0.311 0.000 0.892 54 A CB 0.022 18.599 19.000 -0.706 0.000 1.329 54 A HN 1.471 nan 8.150 nan 0.000 0.388 55 V N 1.384 121.194 119.914 -0.173 0.000 2.681 55 V HA 0.290 4.424 4.120 0.023 0.000 0.306 55 V C 1.281 177.356 176.094 -0.031 0.000 1.077 55 V CA 1.701 63.911 62.300 -0.151 0.000 1.224 55 V CB 0.616 32.288 31.823 -0.253 0.000 0.879 55 V HN 1.735 nan 8.190 nan 0.000 0.494 56 A N 3.339 126.136 122.820 -0.038 0.000 1.827 56 A HA 0.218 4.552 4.320 0.023 0.000 0.196 56 A C 0.730 178.252 177.584 -0.103 0.000 1.833 56 A CA -0.241 51.787 52.037 -0.014 0.000 1.363 56 A CB 0.109 19.135 19.000 0.043 0.000 1.439 56 A HN 0.690 nan 8.150 nan 0.000 0.391 57 Q N 1.114 120.843 119.800 -0.118 0.000 2.394 57 Q HA 0.150 4.504 4.340 0.023 0.000 0.248 57 Q C -0.342 175.594 176.000 -0.106 0.000 0.992 57 Q CA -0.154 55.603 55.803 -0.077 0.000 0.888 57 Q CB 0.738 29.483 28.738 0.011 0.000 1.257 57 Q HN 0.363 nan 8.270 nan 0.000 0.462 58 D N 0.877 121.254 120.400 -0.038 0.000 2.144 58 D HA -0.166 4.488 4.640 0.023 0.000 0.199 58 D C 1.505 177.765 176.300 -0.067 0.000 0.984 58 D CA 1.639 55.600 54.000 -0.064 0.000 0.834 58 D CB -0.074 40.702 40.800 -0.040 0.000 0.955 58 D HN 0.699 nan 8.370 nan 0.000 0.465 59 H N -1.055 117.909 119.070 -0.176 0.000 2.543 59 H HA 0.183 4.753 4.556 0.024 0.000 0.269 59 H C 0.334 175.439 175.328 -0.373 0.000 1.005 59 H CA -0.296 55.624 56.048 -0.214 0.000 1.146 59 H CB 0.164 29.831 29.762 -0.157 0.000 1.353 59 H HN -0.144 nan 8.280 nan 0.000 0.595 60 D N 0.321 120.348 120.400 -0.622 0.000 2.478 60 D HA 0.429 5.083 4.640 0.023 0.000 0.263 60 D C -0.374 175.579 176.300 -0.578 0.000 1.153 60 D CA -0.550 52.999 54.000 -0.752 0.000 1.038 60 D CB 1.945 42.413 40.800 -0.553 0.000 1.120 60 D HN 0.248 nan 8.370 nan 0.000 0.564 61 S N -0.439 114.988 115.700 -0.456 0.000 2.588 61 S HA 0.304 4.788 4.470 0.023 0.000 0.269 61 S C 0.146 174.755 174.600 0.016 0.000 1.157 61 S CA -0.620 57.447 58.200 -0.223 0.000 0.824 61 S CB 0.159 63.387 63.200 0.047 0.000 1.126 61 S HN 0.237 nan 8.310 nan 0.000 0.464 62 F N 1.894 121.891 119.950 0.079 0.000 2.084 62 F HA 0.105 4.647 4.527 0.024 0.000 0.296 62 F C 2.513 178.501 175.800 0.314 0.000 1.111 62 F CA 1.637 59.740 58.000 0.171 0.000 1.224 62 F CB -0.762 38.248 39.000 0.017 0.000 0.991 62 F HN 0.757 nan 8.300 nan 0.000 0.471 63 E N -0.638 119.825 120.200 0.439 0.000 2.267 63 E HA -0.236 4.128 4.350 0.023 0.000 0.197 63 E C 1.896 178.736 176.600 0.400 0.000 0.998 63 E CA 1.314 57.930 56.400 0.360 0.000 0.830 63 E CB -0.555 29.271 29.700 0.209 0.000 0.751 63 E HN 0.470 nan 8.360 nan 0.000 0.491 64 Y N -0.758 119.684 120.300 0.238 0.000 2.176 64 Y HA -0.070 4.494 4.550 0.023 0.000 0.291 64 Y C 2.513 178.598 175.900 0.308 0.000 1.122 64 Y CA 1.929 60.154 58.100 0.207 0.000 1.128 64 Y CB -0.615 37.900 38.460 0.092 0.000 1.005 64 Y HN 0.293 nan 8.280 nan 0.000 0.509 65 H N -1.279 118.024 119.070 0.388 0.000 2.290 65 H HA -0.262 4.308 4.556 0.023 0.000 0.298 65 H C 2.219 177.733 175.328 0.310 0.000 1.087 65 H CA 1.578 57.814 56.048 0.314 0.000 1.291 65 H CB -0.441 29.516 29.762 0.324 0.000 1.369 65 H HN 0.324 nan 8.280 nan 0.000 0.492 66 F N 1.105 121.206 119.950 0.252 0.000 2.043 66 F HA -0.342 4.198 4.527 0.023 0.000 0.297 66 F C 2.769 178.589 175.800 0.033 0.000 1.118 66 F CA 2.467 60.528 58.000 0.101 0.000 1.202 66 F CB -0.976 38.113 39.000 0.148 0.000 0.965 66 F HN 0.279 nan 8.300 nan 0.000 0.482 67 H N -0.319 118.825 119.070 0.124 0.000 2.352 67 H HA -0.167 4.403 4.556 0.023 0.000 0.299 67 H C 1.849 177.083 175.328 -0.157 0.000 1.097 67 H CA 2.435 58.438 56.048 -0.076 0.000 1.311 67 H CB -0.612 29.161 29.762 0.019 0.000 1.377 67 H HN 0.325 nan 8.280 nan 0.000 0.504 68 D N -1.198 119.200 120.400 -0.003 0.000 2.178 68 D HA -0.120 4.534 4.640 0.023 0.000 0.201 68 D C 2.039 178.229 176.300 -0.183 0.000 0.980 68 D CA 1.740 55.715 54.000 -0.041 0.000 0.842 68 D CB -0.251 40.634 40.800 0.142 0.000 0.948 68 D HN 0.428 nan 8.370 nan 0.000 0.472 69 T N -0.055 114.351 114.554 -0.245 0.000 2.732 69 T HA -0.106 4.258 4.350 0.023 0.000 0.261 69 T C 2.291 176.720 174.700 -0.452 0.000 1.040 69 T CA 1.592 63.511 62.100 -0.303 0.000 1.145 69 T CB -0.424 68.257 68.868 -0.312 0.000 0.866 69 T HN 0.108 nan 8.240 nan 0.000 0.427 70 V N 1.633 121.126 119.914 -0.703 0.000 2.332 70 V HA -0.104 4.030 4.120 0.023 0.000 0.248 70 V C 2.796 178.353 176.094 -0.894 0.000 1.055 70 V CA 1.513 63.307 62.300 -0.844 0.000 1.038 70 V CB -1.810 29.330 31.823 -1.138 0.000 0.651 70 V HN 0.448 nan 8.190 nan 0.000 0.450 71 A N 1.611 123.871 122.820 -0.932 0.000 1.892 71 A HA -0.082 4.252 4.320 0.023 0.000 0.218 71 A C 2.424 179.821 177.584 -0.312 0.000 1.188 71 A CA 2.492 54.091 52.037 -0.730 0.000 0.631 71 A CB -1.590 17.050 19.000 -0.600 0.000 0.822 71 A HN 0.720 nan 8.150 nan 0.000 0.447 72 G N -1.107 107.536 108.800 -0.262 0.000 2.422 72 G HA2 0.133 4.107 3.960 0.023 0.000 0.218 72 G HA3 0.133 4.107 3.960 0.023 0.000 0.218 72 G C 1.292 176.129 174.900 -0.106 0.000 1.140 72 G CA 1.029 46.050 45.100 -0.131 0.000 0.775 72 G HN 0.826 nan 8.290 nan 0.000 0.545 73 G N -0.377 108.320 108.800 -0.172 0.000 3.124 73 G HA2 0.203 4.177 3.960 0.023 0.000 0.212 73 G HA3 0.203 4.177 3.960 0.023 0.000 0.212 73 G C 0.404 175.258 174.900 -0.076 0.000 1.181 73 G CA 0.484 45.501 45.100 -0.138 0.000 0.803 73 G HN 0.239 nan 8.290 nan 0.000 0.529 74 D N -0.834 119.572 120.400 0.011 0.000 2.708 74 D HA -0.176 4.478 4.640 0.023 0.000 0.236 74 D C 0.609 177.116 176.300 0.344 0.000 1.146 74 D CA 0.756 54.889 54.000 0.222 0.000 0.662 74 D CB -1.233 39.658 40.800 0.151 0.000 1.059 74 D HN 0.586 nan 8.370 nan 0.000 0.428 75 W N -1.777 119.460 121.300 -0.105 0.000 3.834 75 W HA -0.313 4.361 4.660 0.023 0.000 0.320 75 W C 0.895 177.349 176.519 -0.108 0.000 1.201 75 W CA 0.187 57.473 57.345 -0.099 0.000 0.701 75 W CB -1.677 27.746 29.460 -0.062 0.000 2.264 75 W HN 0.326 nan 8.180 nan 0.000 1.413 76 L N 0.127 121.350 121.223 -0.001 0.000 2.741 76 L HA 0.122 4.476 4.340 0.023 0.000 0.237 76 L C 0.891 177.695 176.870 -0.109 0.000 1.178 76 L CA 0.225 55.001 54.840 -0.106 0.000 0.973 76 L CB -0.100 41.857 42.059 -0.170 0.000 1.255 76 L HN -0.106 nan 8.230 nan 0.000 0.498 77 C N 0.478 119.717 119.300 -0.102 0.000 2.388 77 C HA 0.223 4.697 4.460 0.023 0.000 0.362 77 C C 0.850 175.831 174.990 -0.014 0.000 1.266 77 C CA -1.126 57.838 59.018 -0.090 0.000 2.028 77 C CB 0.704 28.318 27.740 -0.209 0.000 2.440 77 C HN 0.237 nan 8.230 nan 0.000 0.547 78 E N 2.175 122.403 120.200 0.046 0.000 1.795 78 E HA -0.010 4.354 4.350 0.023 0.000 0.261 78 E C 1.070 177.717 176.600 0.079 0.000 1.238 78 E CA 0.391 56.842 56.400 0.084 0.000 1.001 78 E CB 0.096 29.836 29.700 0.067 0.000 1.065 78 E HN 0.682 nan 8.360 nan 0.000 0.418 79 Q N 1.099 120.960 119.800 0.101 0.000 2.248 79 Q HA -0.216 4.138 4.340 0.023 0.000 0.208 79 Q C 1.256 177.419 176.000 0.270 0.000 0.984 79 Q CA 1.733 57.664 55.803 0.213 0.000 0.875 79 Q CB 0.202 29.112 28.738 0.287 0.000 0.910 79 Q HN 0.482 nan 8.270 nan 0.000 0.433 80 D N -0.809 119.688 120.400 0.161 0.000 2.234 80 D HA -0.096 4.558 4.640 0.023 0.000 0.205 80 D C 1.675 178.072 176.300 0.163 0.000 0.962 80 D CA 0.636 54.711 54.000 0.126 0.000 0.855 80 D CB -0.317 40.529 40.800 0.075 0.000 0.951 80 D HN 0.114 nan 8.370 nan 0.000 0.500 81 V N 0.731 120.748 119.914 0.172 0.000 2.453 81 V HA -0.166 3.968 4.120 0.023 0.000 0.247 81 V C 2.808 179.118 176.094 0.361 0.000 1.048 81 V CA 0.907 63.354 62.300 0.245 0.000 1.049 81 V CB -0.152 31.761 31.823 0.150 0.000 0.672 81 V HN 0.096 nan 8.190 nan 0.000 0.457 82 V N 0.346 120.426 119.914 0.277 0.000 2.295 82 V HA -0.277 3.857 4.120 0.023 0.000 0.246 82 V C 2.423 178.764 176.094 0.413 0.000 1.049 82 V CA 2.306 64.799 62.300 0.321 0.000 1.024 82 V CB -0.659 31.258 31.823 0.156 0.000 0.648 82 V HN 0.653 nan 8.190 nan 0.000 0.447 83 D N -0.554 120.046 120.400 0.333 0.000 2.108 83 D HA -0.297 4.357 4.640 0.023 0.000 0.190 83 D C 2.103 178.297 176.300 -0.176 0.000 0.995 83 D CA 2.290 56.268 54.000 -0.036 0.000 0.834 83 D CB -0.235 40.445 40.800 -0.200 0.000 0.967 83 D HN 0.482 nan 8.370 nan 0.000 0.446 84 Y N 0.595 120.835 120.300 -0.100 0.000 2.069 84 Y HA -0.334 4.231 4.550 0.024 0.000 0.278 84 Y C 2.321 178.264 175.900 0.072 0.000 1.175 84 Y CA 2.672 60.757 58.100 -0.025 0.000 1.134 84 Y CB -1.060 37.414 38.460 0.024 0.000 0.965 84 Y HN 0.076 nan 8.280 nan 0.000 0.498 85 F N 0.142 120.165 119.950 0.121 0.000 2.043 85 F HA -0.288 4.253 4.527 0.023 0.000 0.297 85 F C 2.192 178.001 175.800 0.016 0.000 1.121 85 F CA 2.305 60.358 58.000 0.087 0.000 1.199 85 F CB -1.195 38.024 39.000 0.365 0.000 0.968 85 F HN -0.065 nan 8.300 nan 0.000 0.478 86 V N 0.704 120.491 119.914 -0.212 0.000 2.324 86 V HA -0.373 3.761 4.120 0.023 0.000 0.250 86 V C 2.339 178.243 176.094 -0.316 0.000 1.060 86 V CA 2.533 64.723 62.300 -0.184 0.000 1.042 86 V CB -1.164 30.820 31.823 0.268 0.000 0.650 86 V HN 0.524 nan 8.190 nan 0.000 0.450 87 H N -1.756 116.851 119.070 -0.771 0.000 2.559 87 H HA -0.036 4.534 4.556 0.024 0.000 0.273 87 H C 1.718 176.510 175.328 -0.894 0.000 1.000 87 H CA 0.784 56.085 56.048 -1.245 0.000 1.195 87 H CB 0.163 29.236 29.762 -1.147 0.000 1.368 87 H HN 0.543 nan 8.280 nan 0.000 0.592 88 H N -1.382 117.388 119.070 -0.501 0.000 2.705 88 H HA 0.055 4.626 4.556 0.025 0.000 0.269 88 H C 2.013 177.105 175.328 -0.392 0.000 0.998 88 H CA -0.045 55.726 56.048 -0.462 0.000 1.193 88 H CB 0.358 29.732 29.762 -0.647 0.000 1.485 88 H HN 0.354 nan 8.280 nan 0.000 0.521 89 C N 1.278 120.370 119.300 -0.345 0.000 2.436 89 C HA -0.070 4.404 4.460 0.023 0.000 0.277 89 C C 0.085 174.870 174.990 -0.341 0.000 1.241 89 C CA 0.558 59.363 59.018 -0.355 0.000 1.721 89 C CB -1.271 26.227 27.740 -0.404 0.000 2.043 89 C HN 0.376 nan 8.230 nan 0.000 0.472 90 P HA -0.123 nan 4.420 nan 0.000 0.216 90 P C 1.569 178.728 177.300 -0.235 0.000 1.157 90 P CA 2.169 65.127 63.100 -0.237 0.000 0.880 90 P CB -0.304 31.367 31.700 -0.048 0.000 0.791 91 T N -0.613 113.834 114.554 -0.177 0.000 2.833 91 T HA -0.127 4.237 4.350 0.023 0.000 0.269 91 T C 1.535 176.126 174.700 -0.182 0.000 1.054 91 T CA 1.179 63.190 62.100 -0.148 0.000 1.135 91 T CB -0.541 68.263 68.868 -0.107 0.000 0.869 91 T HN 0.161 nan 8.240 nan 0.000 0.466 92 E N 0.904 120.984 120.200 -0.199 0.000 2.051 92 E HA 0.060 4.424 4.350 0.023 0.000 0.189 92 E C 2.198 178.666 176.600 -0.220 0.000 0.979 92 E CA 0.695 56.986 56.400 -0.183 0.000 0.803 92 E CB -0.312 29.318 29.700 -0.117 0.000 0.761 92 E HN 0.375 nan 8.360 nan 0.000 0.451 93 M N 0.887 120.258 119.600 -0.380 0.000 2.346 93 M HA -0.082 4.412 4.480 0.023 0.000 0.263 93 M C 1.909 178.000 176.300 -0.349 0.000 1.064 93 M CA 1.300 56.227 55.300 -0.621 0.000 1.083 93 M CB -1.466 30.147 32.600 -1.646 0.000 1.399 93 M HN 0.058 nan 8.290 nan 0.000 0.435 94 T N -1.863 112.563 114.554 -0.213 0.000 2.976 94 T HA -0.020 4.344 4.350 0.023 0.000 0.257 94 T C 1.866 176.513 174.700 -0.088 0.000 1.051 94 T CA 0.424 62.515 62.100 -0.016 0.000 1.141 94 T CB -0.111 68.746 68.868 -0.019 0.000 0.881 94 T HN 0.197 nan 8.240 nan 0.000 0.461 95 Q N 0.600 120.240 119.800 -0.267 0.000 2.135 95 Q HA -0.003 4.351 4.340 0.023 0.000 0.204 95 Q C 2.242 177.850 176.000 -0.652 0.000 0.981 95 Q CA 0.989 56.420 55.803 -0.620 0.000 0.856 95 Q CB -0.544 27.676 28.738 -0.864 0.000 0.902 95 Q HN 0.363 nan 8.270 nan 0.000 0.425 96 L N 0.719 121.844 121.223 -0.165 0.000 2.027 96 L HA -0.188 4.166 4.340 0.023 0.000 0.206 96 L C 2.431 179.459 176.870 0.264 0.000 1.074 96 L CA 2.152 57.108 54.840 0.193 0.000 0.745 96 L CB -1.034 41.242 42.059 0.360 0.000 0.898 96 L HN 0.286 nan 8.230 nan 0.000 0.433 97 E N -0.036 120.403 120.200 0.398 0.000 2.038 97 E HA -0.245 4.119 4.350 0.023 0.000 0.195 97 E C 2.058 178.777 176.600 0.197 0.000 1.000 97 E CA 1.737 58.370 56.400 0.388 0.000 0.803 97 E CB -0.930 29.102 29.700 0.554 0.000 0.750 97 E HN 0.440 nan 8.360 nan 0.000 0.448 98 L N -0.692 120.589 121.223 0.096 0.000 2.447 98 L HA -0.117 4.237 4.340 0.023 0.000 0.225 98 L C 1.305 178.275 176.870 0.167 0.000 1.148 98 L CA 0.540 55.404 54.840 0.039 0.000 0.808 98 L CB -0.347 41.642 42.059 -0.118 0.000 0.928 98 L HN 0.362 nan 8.230 nan 0.000 0.448 99 W N -0.585 120.761 121.300 0.077 0.000 3.239 99 W HA 0.335 5.008 4.660 0.023 0.000 0.348 99 W C 1.485 178.018 176.519 0.023 0.000 1.183 99 W CA 0.547 57.922 57.345 0.051 0.000 1.819 99 W CB -0.176 29.319 29.460 0.059 0.000 1.091 99 W HN 0.279 nan 8.180 nan 0.000 0.629 100 G N 0.094 109.028 108.800 0.223 0.000 2.259 100 G HA2 -0.288 3.686 3.960 0.023 0.000 0.217 100 G HA3 -0.288 3.686 3.960 0.023 0.000 0.217 100 G C 0.482 175.400 174.900 0.030 0.000 1.001 100 G CA -0.282 44.883 45.100 0.108 0.000 0.627 100 G HN 0.182 nan 8.290 nan 0.000 0.501 101 C N 4.777 124.080 119.300 0.005 0.000 2.409 101 C HA 0.426 4.899 4.460 0.023 0.000 0.398 101 C C -0.942 173.842 174.990 -0.344 0.000 1.507 101 C CA -0.439 58.438 59.018 -0.236 0.000 1.460 101 C CB -0.074 27.401 27.740 -0.441 0.000 2.472 101 C HN 0.398 nan 8.230 nan 0.000 0.614 102 P HA 0.088 nan 4.420 nan 0.000 0.241 102 P C -0.604 176.515 177.300 -0.302 0.000 1.760 102 P CA 0.173 63.097 63.100 -0.293 0.000 1.081 102 P CB -0.512 30.998 31.700 -0.317 0.000 1.975 103 W N 1.170 122.416 121.300 -0.089 0.000 2.210 103 W HA 0.108 4.781 4.660 0.023 0.000 0.330 103 W C 1.403 177.759 176.519 -0.271 0.000 1.334 103 W CA -0.071 57.193 57.345 -0.135 0.000 1.227 103 W CB 0.360 29.789 29.460 -0.052 0.000 1.178 103 W HN 0.161 nan 8.180 nan 0.000 0.560 104 S N 3.186 118.782 115.700 -0.174 0.000 2.563 104 S HA 0.202 4.686 4.470 0.023 0.000 0.284 104 S C 0.432 174.845 174.600 -0.312 0.000 1.331 104 S CA -0.410 57.588 58.200 -0.337 0.000 1.047 104 S CB 0.173 62.984 63.200 -0.649 0.000 0.859 104 S HN 0.312 nan 8.310 nan 0.000 0.514 105 R N 1.698 122.080 120.500 -0.196 0.000 2.893 105 R HA 0.500 4.854 4.340 0.023 0.000 0.245 105 R C -0.300 175.926 176.300 -0.123 0.000 1.192 105 R CA -0.932 55.072 56.100 -0.159 0.000 1.077 105 R CB 0.341 30.582 30.300 -0.098 0.000 1.253 105 R HN 0.616 nan 8.270 nan 0.000 0.505 106 R N 1.242 121.677 120.500 -0.108 0.000 2.536 106 R HA 0.297 4.651 4.340 0.023 0.000 0.279 106 R C -1.491 174.778 176.300 -0.052 0.000 1.001 106 R CA -1.471 54.585 56.100 -0.074 0.000 1.027 106 R CB 0.542 30.790 30.300 -0.087 0.000 1.096 106 R HN 0.269 nan 8.270 nan 0.000 0.502 107 P HA -0.173 nan 4.420 nan 0.000 0.225 107 P C 0.163 177.444 177.300 -0.031 0.000 1.148 107 P CA 1.091 64.175 63.100 -0.026 0.000 0.779 107 P CB 0.195 31.884 31.700 -0.018 0.000 0.780 108 D N -0.017 120.359 120.400 -0.040 0.000 2.224 108 D HA -0.092 4.562 4.640 0.023 0.000 0.205 108 D C 1.564 177.837 176.300 -0.044 0.000 0.965 108 D CA 1.699 55.674 54.000 -0.042 0.000 0.852 108 D CB -0.140 40.630 40.800 -0.051 0.000 0.947 108 D HN 0.238 nan 8.370 nan 0.000 0.494 109 G N 0.185 108.954 108.800 -0.051 0.000 2.231 109 G HA2 -0.236 3.738 3.960 0.023 0.000 0.206 109 G HA3 -0.236 3.738 3.960 0.023 0.000 0.206 109 G C 0.468 175.329 174.900 -0.065 0.000 0.996 109 G CA 0.558 45.629 45.100 -0.049 0.000 0.645 109 G HN 0.616 nan 8.290 nan 0.000 0.498 110 S N -0.775 114.873 115.700 -0.086 0.000 2.686 110 S HA 0.710 5.194 4.470 0.023 0.000 0.270 110 S C 0.477 174.970 174.600 -0.178 0.000 1.194 110 S CA 0.018 58.145 58.200 -0.123 0.000 0.990 110 S CB 2.040 65.163 63.200 -0.128 0.000 1.029 110 S HN 1.559 nan 8.310 nan 0.000 0.560 111 V N 2.044 121.791 119.914 -0.278 0.000 2.408 111 V HA 0.349 4.483 4.120 0.023 0.000 0.267 111 V C -0.076 175.727 176.094 -0.485 0.000 1.047 111 V CA -0.539 61.503 62.300 -0.431 0.000 0.937 111 V CB 0.045 31.442 31.823 -0.710 0.000 0.999 111 V HN 0.916 nan 8.190 nan 0.000 0.472 112 N N 5.066 123.537 118.700 -0.382 0.000 2.530 112 N HA 0.418 5.172 4.740 0.023 0.000 0.277 112 N C -0.876 174.514 175.510 -0.200 0.000 1.168 112 N CA 0.047 52.950 53.050 -0.246 0.000 0.979 112 N CB 1.808 40.220 38.487 -0.125 0.000 1.141 112 N HN 0.595 nan 8.380 nan 0.000 0.459 113 V N 3.140 123.068 119.914 0.024 0.000 2.769 113 V HA 0.686 4.820 4.120 0.023 0.000 0.312 113 V C -0.687 175.567 176.094 0.267 0.000 1.061 113 V CA -0.728 61.675 62.300 0.171 0.000 0.931 113 V CB 1.447 33.243 31.823 -0.043 0.000 1.010 113 V HN 0.923 nan 8.190 nan 0.000 0.433 114 R N 4.554 125.152 120.500 0.164 0.000 2.923 114 R HA 0.656 5.010 4.340 0.023 0.000 0.252 114 R C -0.568 175.752 176.300 0.032 0.000 1.130 114 R CA -1.037 55.020 56.100 -0.071 0.000 1.043 114 R CB 1.390 31.363 30.300 -0.545 0.000 1.205 114 R HN 0.669 nan 8.270 nan 0.000 0.495 115 R N 1.440 121.960 120.500 0.033 0.000 2.229 115 R HA 0.333 4.687 4.340 0.023 0.000 0.328 115 R C -1.675 174.721 176.300 0.160 0.000 1.009 115 R CA -0.240 55.913 56.100 0.087 0.000 0.864 115 R CB 0.591 30.924 30.300 0.054 0.000 1.085 115 R HN 0.673 nan 8.270 nan 0.000 0.453 116 F N 1.735 121.693 119.950 0.013 0.000 2.654 116 F HA 0.397 4.938 4.527 0.023 0.000 0.308 116 F C 0.435 176.259 175.800 0.040 0.000 1.108 116 F CA 0.362 58.373 58.000 0.018 0.000 0.957 116 F CB 2.057 41.072 39.000 0.024 0.000 1.309 116 F HN 0.726 nan 8.300 nan 0.000 0.446 117 G N 2.206 110.548 108.800 -0.765 0.000 2.160 117 G HA2 0.069 4.043 3.960 0.023 0.000 0.251 117 G HA3 0.069 4.043 3.960 0.023 0.000 0.251 117 G C 0.953 175.746 174.900 -0.179 0.000 1.008 117 G CA 0.649 45.499 45.100 -0.417 0.000 0.724 117 G HN 2.296 nan 8.290 nan 0.000 0.514 118 G N -0.956 107.745 108.800 -0.165 0.000 2.356 118 G HA2 -0.231 3.743 3.960 0.023 0.000 0.296 118 G HA3 -0.231 3.743 3.960 0.023 0.000 0.296 118 G C 0.392 175.291 174.900 -0.003 0.000 1.022 118 G CA 1.124 46.181 45.100 -0.071 0.000 0.961 118 G HN 1.074 nan 8.290 nan 0.000 0.510 119 M N -0.305 119.317 119.600 0.036 0.000 2.233 119 M HA 0.281 4.775 4.480 0.023 0.000 0.355 119 M C 1.877 178.232 176.300 0.092 0.000 1.191 119 M CA -0.365 54.987 55.300 0.086 0.000 1.101 119 M CB 1.112 33.791 32.600 0.131 0.000 1.592 119 M HN 0.345 nan 8.290 nan 0.000 0.461 120 K N 2.447 122.916 120.400 0.114 0.000 2.015 120 K HA -0.092 4.242 4.320 0.023 0.000 0.216 120 K C 0.206 176.876 176.600 0.117 0.000 1.052 120 K CA 1.405 57.765 56.287 0.122 0.000 0.937 120 K CB -0.405 32.192 32.500 0.162 0.000 0.719 120 K HN 0.526 nan 8.250 nan 0.000 0.446 121 I N 2.999 123.635 120.570 0.110 0.000 2.377 121 I HA 0.066 4.250 4.170 0.023 0.000 0.293 121 I C 0.125 176.267 176.117 0.042 0.000 0.987 121 I CA -1.127 60.201 61.300 0.046 0.000 1.185 121 I CB 1.640 39.569 38.000 -0.118 0.000 1.341 121 I HN 0.225 nan 8.210 nan 0.000 0.455 122 E N 7.832 128.065 120.200 0.055 0.000 2.373 122 E HA 0.161 4.525 4.350 0.023 0.000 0.267 122 E C -0.239 176.388 176.600 0.045 0.000 1.032 122 E CA -0.436 56.005 56.400 0.069 0.000 0.889 122 E CB 0.917 30.663 29.700 0.077 0.000 0.984 122 E HN 0.807 nan 8.360 nan 0.000 0.425 123 R N 0.231 120.783 120.500 0.086 0.000 2.517 123 R HA 0.177 4.531 4.340 0.023 0.000 0.434 123 R C -0.817 175.619 176.300 0.227 0.000 0.884 123 R CA -0.528 55.630 56.100 0.097 0.000 1.090 123 R CB -0.349 29.937 30.300 -0.022 0.000 1.601 123 R HN 0.271 nan 8.270 nan 0.000 0.579 124 T N 1.841 116.537 114.554 0.237 0.000 2.747 124 T HA 0.225 4.589 4.350 0.023 0.000 0.301 124 T C -0.710 174.241 174.700 0.419 0.000 0.952 124 T CA -0.231 62.047 62.100 0.297 0.000 0.983 124 T CB 0.275 69.281 68.868 0.230 0.000 0.930 124 T HN 0.126 nan 8.240 nan 0.000 0.494 125 W N 4.542 125.830 121.300 -0.020 0.000 2.202 125 W HA 0.554 5.228 4.660 0.025 0.000 0.332 125 W C -0.008 176.676 176.519 0.274 0.000 1.263 125 W CA -1.235 56.004 57.345 -0.177 0.000 1.223 125 W CB -0.101 28.734 29.460 -1.042 0.000 1.128 125 W HN 0.636 nan 8.180 nan 0.000 0.573 126 F N -0.458 119.744 119.950 0.420 0.000 2.668 126 F HA 0.769 5.309 4.527 0.023 0.000 0.309 126 F C -0.804 175.315 175.800 0.531 0.000 1.117 126 F CA -2.086 56.236 58.000 0.535 0.000 0.951 126 F CB 1.130 40.269 39.000 0.232 0.000 1.323 126 F HN 0.350 nan 8.300 nan 0.000 0.451 127 A N 2.681 125.721 122.820 0.367 0.000 2.786 127 A HA 0.818 5.152 4.320 0.023 0.000 0.346 127 A C 0.598 178.303 177.584 0.203 0.000 1.265 127 A CA -0.076 52.005 52.037 0.074 0.000 0.858 127 A CB -0.540 18.383 19.000 -0.128 0.000 1.118 127 A HN 2.575 nan 8.150 nan 0.000 0.482 128 A N 1.799 124.769 122.820 0.250 0.000 5.813 128 A HA -0.215 4.119 4.320 0.023 0.000 0.291 128 A C 0.808 178.576 177.584 0.306 0.000 1.970 128 A CA 1.385 53.592 52.037 0.282 0.000 0.717 128 A CB -1.225 17.878 19.000 0.171 0.000 1.222 128 A HN 1.593 nan 8.150 nan 0.000 0.377 129 D N -0.555 119.952 120.400 0.178 0.000 2.525 129 D HA 0.291 4.945 4.640 0.023 0.000 0.229 129 D C 0.371 176.701 176.300 0.050 0.000 1.202 129 D CA 0.365 54.429 54.000 0.107 0.000 0.828 129 D CB -0.020 40.821 40.800 0.069 0.000 1.008 129 D HN 0.569 nan 8.370 nan 0.000 0.493 130 K N -0.047 120.419 120.400 0.110 0.000 2.726 130 K HA 0.170 4.504 4.320 0.023 0.000 0.209 130 K C 0.841 177.568 176.600 0.211 0.000 1.082 130 K CA -0.124 56.198 56.287 0.059 0.000 1.081 130 K CB 0.694 33.179 32.500 -0.025 0.000 0.830 130 K HN -0.061 nan 8.250 nan 0.000 0.470 131 T N 0.047 114.715 114.554 0.190 0.000 2.699 131 T HA -0.181 4.183 4.350 0.023 0.000 0.268 131 T C 1.957 176.742 174.700 0.141 0.000 1.036 131 T CA 1.898 64.121 62.100 0.204 0.000 1.147 131 T CB -0.193 68.825 68.868 0.249 0.000 0.862 131 T HN 0.557 nan 8.240 nan 0.000 0.446 132 G N 0.786 109.637 108.800 0.085 0.000 2.433 132 G HA2 -0.198 3.776 3.960 0.023 0.000 0.216 132 G HA3 -0.198 3.776 3.960 0.023 0.000 0.216 132 G C 1.307 176.246 174.900 0.065 0.000 1.186 132 G CA 0.721 45.849 45.100 0.046 0.000 0.779 132 G HN 0.461 nan 8.290 nan 0.000 0.543 133 F N 1.483 121.372 119.950 -0.103 0.000 2.027 133 F HA -0.244 4.298 4.527 0.024 0.000 0.297 133 F C 2.767 178.518 175.800 -0.081 0.000 1.129 133 F CA 2.415 60.342 58.000 -0.122 0.000 1.195 133 F CB -0.537 38.284 39.000 -0.299 0.000 0.960 133 F HN 0.216 nan 8.300 nan 0.000 0.485 134 H N -0.094 119.013 119.070 0.061 0.000 2.387 134 H HA -0.171 4.398 4.556 0.023 0.000 0.299 134 H C 2.358 177.600 175.328 -0.144 0.000 1.099 134 H CA 2.037 58.022 56.048 -0.105 0.000 1.315 134 H CB -0.539 29.178 29.762 -0.075 0.000 1.380 134 H HN 0.408 nan 8.280 nan 0.000 0.513 135 M N -0.507 119.096 119.600 0.004 0.000 2.123 135 M HA -0.121 4.373 4.480 0.023 0.000 0.263 135 M C 2.435 178.750 176.300 0.025 0.000 1.069 135 M CA 0.880 56.184 55.300 0.007 0.000 1.133 135 M CB -0.199 32.438 32.600 0.062 0.000 1.356 135 M HN 0.112 nan 8.290 nan 0.000 0.415 136 L N 0.055 121.271 121.223 -0.011 0.000 1.989 136 L HA -0.243 4.111 4.340 0.023 0.000 0.211 136 L C 2.524 179.351 176.870 -0.072 0.000 1.071 136 L CA 2.019 56.831 54.840 -0.047 0.000 0.749 136 L CB -0.982 41.015 42.059 -0.102 0.000 0.890 136 L HN 0.306 nan 8.230 nan 0.000 0.431 137 H N -1.159 117.790 119.070 -0.202 0.000 2.290 137 H HA -0.147 4.424 4.556 0.024 0.000 0.298 137 H C 2.028 177.327 175.328 -0.047 0.000 1.087 137 H CA 2.076 58.032 56.048 -0.153 0.000 1.291 137 H CB -0.326 29.177 29.762 -0.431 0.000 1.369 137 H HN 0.394 nan 8.280 nan 0.000 0.492 138 T N 1.779 116.368 114.554 0.059 0.000 2.665 138 T HA -0.155 4.209 4.350 0.023 0.000 0.268 138 T C 2.432 177.139 174.700 0.013 0.000 1.035 138 T CA 0.979 63.107 62.100 0.048 0.000 1.151 138 T CB -0.433 68.478 68.868 0.072 0.000 0.862 138 T HN 0.174 nan 8.240 nan 0.000 0.438 139 L N -0.283 120.966 121.223 0.043 0.000 1.970 139 L HA -0.082 4.272 4.340 0.023 0.000 0.212 139 L C 2.327 179.178 176.870 -0.033 0.000 1.071 139 L CA 1.648 56.490 54.840 0.003 0.000 0.751 139 L CB -0.602 41.499 42.059 0.069 0.000 0.889 139 L HN 0.202 nan 8.230 nan 0.000 0.432 140 F N 0.990 120.863 119.950 -0.128 0.000 2.091 140 F HA -0.318 4.222 4.527 0.022 0.000 0.299 140 F C 2.622 178.356 175.800 -0.110 0.000 1.103 140 F CA 1.932 59.853 58.000 -0.131 0.000 1.228 140 F CB -0.488 38.395 39.000 -0.194 0.000 0.984 140 F HN 0.111 nan 8.300 nan 0.000 0.477 141 Q N -0.881 118.760 119.800 -0.265 0.000 2.119 141 Q HA -0.154 4.200 4.340 0.023 0.000 0.201 141 Q C 2.167 177.971 176.000 -0.325 0.000 0.972 141 Q CA 2.025 57.615 55.803 -0.354 0.000 0.847 141 Q CB -0.532 28.125 28.738 -0.134 0.000 0.903 141 Q HN 0.375 nan 8.270 nan 0.000 0.433 142 T N 0.824 115.199 114.554 -0.298 0.000 2.652 142 T HA -0.229 4.135 4.350 0.023 0.000 0.267 142 T C 2.116 176.672 174.700 -0.240 0.000 1.039 142 T CA 1.751 63.617 62.100 -0.390 0.000 1.153 142 T CB -0.450 67.938 68.868 -0.801 0.000 0.863 142 T HN 0.547 nan 8.240 nan 0.000 0.428 143 S N 2.360 117.943 115.700 -0.195 0.000 2.380 143 S HA -0.171 4.313 4.470 0.023 0.000 0.229 143 S C 2.072 176.686 174.600 0.024 0.000 1.043 143 S CA 1.379 59.582 58.200 0.004 0.000 1.038 143 S CB -1.194 61.947 63.200 -0.098 0.000 0.872 143 S HN 0.515 nan 8.310 nan 0.000 0.456 144 L N 2.169 123.248 121.223 -0.240 0.000 2.151 144 L HA -0.263 4.091 4.340 0.023 0.000 0.215 144 L C 2.972 179.730 176.870 -0.188 0.000 1.084 144 L CA 2.117 56.813 54.840 -0.241 0.000 0.764 144 L CB -1.039 40.821 42.059 -0.332 0.000 0.891 144 L HN 0.701 nan 8.230 nan 0.000 0.435 145 Q N -0.402 119.228 119.800 -0.283 0.000 2.515 145 Q HA -0.070 4.284 4.340 0.023 0.000 0.212 145 Q C -0.063 175.613 176.000 -0.539 0.000 0.970 145 Q CA 0.491 56.032 55.803 -0.436 0.000 0.941 145 Q CB -0.166 28.221 28.738 -0.585 0.000 0.998 145 Q HN 0.314 nan 8.270 nan 0.000 0.518 146 F N 2.582 122.461 119.950 -0.119 0.000 2.361 146 F HA 0.319 4.861 4.527 0.024 0.000 0.364 146 F C -1.492 174.270 175.800 -0.062 0.000 1.120 146 F CA -2.811 55.140 58.000 -0.081 0.000 1.102 146 F CB 1.371 40.322 39.000 -0.081 0.000 1.183 146 F HN -0.096 nan 8.300 nan 0.000 0.476 147 P HA -0.177 nan 4.420 nan 0.000 0.221 147 P C 0.746 178.085 177.300 0.065 0.000 1.150 147 P CA 1.317 64.445 63.100 0.047 0.000 0.800 147 P CB 0.347 32.060 31.700 0.021 0.000 0.787 148 Q N 0.256 120.114 119.800 0.096 0.000 2.124 148 Q HA -0.006 4.348 4.340 0.023 0.000 0.202 148 Q C 1.285 177.321 176.000 0.059 0.000 0.977 148 Q CA 0.734 56.579 55.803 0.071 0.000 0.850 148 Q CB -0.828 27.950 28.738 0.066 0.000 0.901 148 Q HN 0.334 nan 8.270 nan 0.000 0.429 149 I N 1.971 122.581 120.570 0.067 0.000 2.406 149 I HA 0.005 4.189 4.170 0.023 0.000 0.293 149 I C -0.051 176.093 176.117 0.045 0.000 1.101 149 I CA -0.454 60.873 61.300 0.046 0.000 1.334 149 I CB 0.411 38.430 38.000 0.032 0.000 1.421 149 I HN 0.091 nan 8.210 nan 0.000 0.513 150 Q N 7.520 127.353 119.800 0.054 0.000 2.303 150 Q HA 0.324 4.678 4.340 0.023 0.000 0.257 150 Q C -0.658 175.346 176.000 0.007 0.000 0.941 150 Q CA -0.295 55.521 55.803 0.022 0.000 0.931 150 Q CB 0.848 29.627 28.738 0.069 0.000 1.215 150 Q HN 0.441 nan 8.270 nan 0.000 0.437 151 R N 3.130 123.586 120.500 -0.074 0.000 2.457 151 R HA 0.381 4.735 4.340 0.023 0.000 0.284 151 R C -0.764 175.359 176.300 -0.294 0.000 1.024 151 R CA -0.348 55.715 56.100 -0.061 0.000 1.025 151 R CB 0.768 31.079 30.300 0.018 0.000 1.063 151 R HN 0.589 nan 8.270 nan 0.000 0.493 152 F N 2.101 121.937 119.950 -0.189 0.000 2.449 152 F HA 0.189 4.736 4.527 0.033 0.000 0.344 152 F C -0.175 175.542 175.800 -0.137 0.000 1.180 152 F CA -0.806 56.968 58.000 -0.376 0.000 1.209 152 F CB 0.813 39.310 39.000 -0.839 0.000 1.440 152 F HN 0.267 nan 8.300 nan 0.000 0.526 153 D N 2.997 123.382 120.400 -0.025 0.000 2.424 153 D HA 0.016 4.670 4.640 0.023 0.000 0.244 153 D C 0.439 176.666 176.300 -0.121 0.000 1.134 153 D CA 0.361 54.206 54.000 -0.257 0.000 0.881 153 D CB 0.727 41.057 40.800 -0.783 0.000 1.191 153 D HN 0.526 nan 8.370 nan 0.000 0.445 154 E N 1.079 121.175 120.200 -0.173 0.000 2.230 154 E HA -0.255 4.109 4.350 0.023 0.000 0.206 154 E C -0.799 175.803 176.600 0.004 0.000 1.309 154 E CA 0.661 57.038 56.400 -0.040 0.000 0.697 154 E CB -1.393 28.310 29.700 0.005 0.000 1.146 154 E HN 0.492 nan 8.360 nan 0.000 0.363 155 H N -0.007 119.056 119.070 -0.012 0.000 2.708 155 H HA 0.360 4.930 4.556 0.023 0.000 0.320 155 H C -0.724 174.621 175.328 0.029 0.000 0.991 155 H CA -0.496 55.567 56.048 0.025 0.000 1.243 155 H CB 0.672 30.449 29.762 0.025 0.000 1.446 155 H HN 0.247 nan 8.280 nan 0.000 0.502 156 F N 4.429 124.372 119.950 -0.011 0.000 2.424 156 F HA 0.337 4.876 4.527 0.019 0.000 0.356 156 F C -0.371 175.418 175.800 -0.018 0.000 1.110 156 F CA -0.854 57.129 58.000 -0.028 0.000 1.161 156 F CB 0.504 39.459 39.000 -0.075 0.000 1.115 156 F HN 0.219 nan 8.300 nan 0.000 0.507 157 V N 8.479 128.492 119.914 0.166 0.000 2.470 157 V HA -0.020 4.114 4.120 0.023 0.000 0.276 157 V C 0.910 177.215 176.094 0.352 0.000 1.040 157 V CA 0.166 62.562 62.300 0.160 0.000 1.008 157 V CB 0.984 32.786 31.823 -0.035 0.000 0.990 157 V HN 0.876 nan 8.190 nan 0.000 0.477 158 L N 2.752 124.128 121.223 0.255 0.000 2.145 158 L HA 0.355 4.709 4.340 0.023 0.000 0.201 158 L C 0.753 177.725 176.870 0.170 0.000 1.075 158 L CA 0.890 55.862 54.840 0.220 0.000 0.773 158 L CB 0.085 42.206 42.059 0.104 0.000 0.936 158 L HN 0.600 nan 8.230 nan 0.000 0.451 159 D N -0.974 119.491 120.400 0.109 0.000 2.671 159 D HA 0.369 5.023 4.640 0.023 0.000 0.273 159 D C -1.538 174.799 176.300 0.062 0.000 1.264 159 D CA -0.508 53.554 54.000 0.103 0.000 0.788 159 D CB 2.818 43.693 40.800 0.125 0.000 1.324 159 D HN -0.011 nan 8.370 nan 0.000 0.424 160 I N -0.461 120.153 120.570 0.073 0.000 2.377 160 I HA 0.482 4.666 4.170 0.023 0.000 0.293 160 I C -0.499 175.592 176.117 -0.043 0.000 0.987 160 I CA -0.792 60.492 61.300 -0.027 0.000 1.185 160 I CB 1.314 39.240 38.000 -0.123 0.000 1.341 160 I HN 0.158 nan 8.210 nan 0.000 0.455 161 L N 6.864 128.061 121.223 -0.043 0.000 2.361 161 L HA 0.475 4.829 4.340 0.023 0.000 0.278 161 L C -0.480 176.336 176.870 -0.090 0.000 1.113 161 L CA -0.431 54.394 54.840 -0.024 0.000 0.849 161 L CB 1.142 43.202 42.059 0.002 0.000 1.155 161 L HN 0.479 nan 8.230 nan 0.000 0.452 162 V N 2.052 121.917 119.914 -0.082 0.000 2.733 162 V HA 0.491 4.625 4.120 0.023 0.000 0.306 162 V C -1.089 175.013 176.094 0.013 0.000 1.084 162 V CA -0.649 61.589 62.300 -0.103 0.000 0.905 162 V CB 2.270 33.903 31.823 -0.317 0.000 1.010 162 V HN 0.733 nan 8.190 nan 0.000 0.424 163 D N 2.609 123.028 120.400 0.031 0.000 2.990 163 D HA 0.382 5.036 4.640 0.023 0.000 0.227 163 D C -0.247 176.085 176.300 0.054 0.000 1.249 163 D CA -0.077 53.952 54.000 0.047 0.000 0.891 163 D CB 1.698 42.522 40.800 0.041 0.000 1.647 163 D HN 0.684 nan 8.370 nan 0.000 0.530 164 D N 3.299 123.726 120.400 0.046 0.000 2.723 164 D HA -0.166 4.488 4.640 0.023 0.000 0.236 164 D C 0.680 177.014 176.300 0.057 0.000 1.138 164 D CA 1.663 55.688 54.000 0.042 0.000 0.676 164 D CB -1.055 39.763 40.800 0.030 0.000 1.069 164 D HN 1.127 nan 8.370 nan 0.000 0.430 165 G N 0.962 109.790 108.800 0.048 0.000 2.249 165 G HA2 -0.307 3.667 3.960 0.023 0.000 0.273 165 G HA3 -0.307 3.667 3.960 0.023 0.000 0.273 165 G C -0.070 174.860 174.900 0.050 0.000 1.036 165 G CA 0.890 46.009 45.100 0.033 0.000 0.824 165 G HN 0.840 nan 8.290 nan 0.000 0.504 166 H N -1.222 117.820 119.070 -0.047 0.000 2.966 166 H HA 0.438 4.995 4.556 0.003 0.000 0.347 166 H C -0.317 174.971 175.328 -0.067 0.000 1.048 166 H CA -0.149 55.865 56.048 -0.057 0.000 1.295 166 H CB 1.927 31.667 29.762 -0.037 0.000 1.744 166 H HN 0.313 nan 8.280 nan 0.000 0.513 167 V N 5.584 125.316 119.914 -0.303 0.000 2.740 167 V HA 0.149 4.283 4.120 0.023 0.000 0.303 167 V C 0.484 176.610 176.094 0.054 0.000 1.054 167 V CA 0.360 62.574 62.300 -0.142 0.000 1.106 167 V CB 0.567 32.269 31.823 -0.201 0.000 0.957 167 V HN 0.758 nan 8.190 nan 0.000 0.486 168 R N 4.006 124.526 120.500 0.035 0.000 2.531 168 R HA 0.419 4.773 4.340 0.023 0.000 0.316 168 R C 0.404 176.718 176.300 0.025 0.000 0.955 168 R CA 0.664 56.802 56.100 0.064 0.000 1.120 168 R CB 0.789 31.124 30.300 0.059 0.000 1.361 168 R HN 1.020 nan 8.270 nan 0.000 0.534 169 G N 0.839 109.634 108.800 -0.008 0.000 2.373 169 G HA2 0.199 4.173 3.960 0.023 0.000 0.250 169 G HA3 0.199 4.173 3.960 0.023 0.000 0.250 169 G C -1.778 173.098 174.900 -0.041 0.000 1.304 169 G CA -0.346 44.741 45.100 -0.020 0.000 0.948 169 G HN 0.122 nan 8.290 nan 0.000 0.474 170 L N -3.065 118.131 121.223 -0.046 0.000 2.869 170 L HA 0.882 5.236 4.340 0.023 0.000 0.265 170 L C -1.318 175.524 176.870 -0.046 0.000 1.011 170 L CA -1.328 53.484 54.840 -0.046 0.000 0.913 170 L CB 1.423 43.441 42.059 -0.068 0.000 1.490 170 L HN 0.743 nan 8.230 nan 0.000 0.410 171 V N 0.781 120.684 119.914 -0.018 0.000 2.547 171 V HA 0.994 5.128 4.120 0.023 0.000 0.299 171 V C 0.303 176.398 176.094 0.001 0.000 1.040 171 V CA 0.330 62.626 62.300 -0.007 0.000 0.913 171 V CB 1.292 33.128 31.823 0.021 0.000 0.992 171 V HN 1.122 nan 8.190 nan 0.000 0.449 172 A N 4.468 127.290 122.820 0.004 0.000 2.609 172 A HA 0.889 5.223 4.320 0.023 0.000 0.291 172 A C -1.159 176.469 177.584 0.074 0.000 1.096 172 A CA -0.713 51.359 52.037 0.059 0.000 0.684 172 A CB 1.960 20.973 19.000 0.021 0.000 1.282 172 A HN 0.697 nan 8.150 nan 0.000 0.412 173 M N 2.402 122.055 119.600 0.087 0.000 2.167 173 M HA 0.255 4.749 4.480 0.023 0.000 0.333 173 M C -0.195 176.031 176.300 -0.123 0.000 1.030 173 M CA -0.662 54.634 55.300 -0.006 0.000 0.963 173 M CB 1.464 34.029 32.600 -0.059 0.000 1.589 173 M HN 0.796 nan 8.290 nan 0.000 0.431 174 N N 4.107 122.687 118.700 -0.199 0.000 2.406 174 N HA 0.056 4.810 4.740 0.023 0.000 0.274 174 N C 0.652 176.014 175.510 -0.246 0.000 1.249 174 N CA 0.339 53.111 53.050 -0.464 0.000 0.951 174 N CB 0.623 38.969 38.487 -0.235 0.000 1.241 174 N HN 0.797 nan 8.380 nan 0.000 0.485 175 M N 2.377 121.831 119.600 -0.242 0.000 2.144 175 M HA -0.259 4.235 4.480 0.023 0.000 0.260 175 M C 1.670 177.976 176.300 0.011 0.000 1.067 175 M CA 1.785 57.001 55.300 -0.140 0.000 1.095 175 M CB -0.082 32.429 32.600 -0.148 0.000 1.365 175 M HN 0.508 nan 8.290 nan 0.000 0.406 176 M N 0.107 119.764 119.600 0.095 0.000 2.115 176 M HA -0.089 4.405 4.480 0.023 0.000 0.261 176 M C 1.884 178.229 176.300 0.076 0.000 1.079 176 M CA 1.754 57.161 55.300 0.178 0.000 1.143 176 M CB -0.388 32.292 32.600 0.135 0.000 1.332 176 M HN 0.007 nan 8.290 nan 0.000 0.421 177 E N -0.267 119.947 120.200 0.023 0.000 2.268 177 E HA 0.053 4.417 4.350 0.023 0.000 0.195 177 E C 1.199 177.797 176.600 -0.003 0.000 0.995 177 E CA 0.980 57.389 56.400 0.016 0.000 0.836 177 E CB -0.484 29.227 29.700 0.019 0.000 0.763 177 E HN 0.696 nan 8.360 nan 0.000 0.491 178 G N 2.075 110.857 108.800 -0.031 0.000 2.176 178 G HA2 -0.285 3.689 3.960 0.023 0.000 0.252 178 G HA3 -0.285 3.689 3.960 0.023 0.000 0.252 178 G C 0.508 175.381 174.900 -0.045 0.000 1.024 178 G CA 0.895 45.963 45.100 -0.053 0.000 0.755 178 G HN 0.401 nan 8.290 nan 0.000 0.507 179 T N -1.862 112.672 114.554 -0.032 0.000 2.922 179 T HA 0.777 5.141 4.350 0.023 0.000 0.281 179 T C 0.230 174.927 174.700 -0.006 0.000 1.005 179 T CA -1.031 61.063 62.100 -0.009 0.000 0.982 179 T CB 2.097 70.980 68.868 0.025 0.000 1.158 179 T HN 0.477 nan 8.240 nan 0.000 0.566 180 L N 1.681 122.912 121.223 0.014 0.000 2.296 180 L HA 0.633 4.987 4.340 0.023 0.000 0.286 180 L C -0.194 176.704 176.870 0.047 0.000 1.023 180 L CA -1.205 53.648 54.840 0.021 0.000 0.812 180 L CB 1.604 43.671 42.059 0.014 0.000 1.223 180 L HN 0.641 nan 8.230 nan 0.000 0.421 181 V N 1.043 120.982 119.914 0.042 0.000 2.581 181 V HA 0.575 4.709 4.120 0.023 0.000 0.303 181 V C -0.562 175.525 176.094 -0.012 0.000 1.041 181 V CA -0.641 61.679 62.300 0.032 0.000 0.907 181 V CB 1.619 33.432 31.823 -0.017 0.000 0.994 181 V HN 0.906 nan 8.190 nan 0.000 0.442 182 Q N 3.888 123.703 119.800 0.025 0.000 2.327 182 Q HA 0.634 4.988 4.340 0.023 0.000 0.270 182 Q C -1.597 174.414 176.000 0.019 0.000 1.022 182 Q CA -0.646 55.165 55.803 0.013 0.000 0.773 182 Q CB 1.890 30.655 28.738 0.044 0.000 1.251 182 Q HN 0.912 nan 8.270 nan 0.000 0.457 183 I N 3.963 124.501 120.570 -0.053 0.000 2.354 183 I HA 0.463 4.647 4.170 0.023 0.000 0.292 183 I C -0.096 176.014 176.117 -0.011 0.000 0.989 183 I CA -0.933 60.335 61.300 -0.053 0.000 1.188 183 I CB 1.369 39.239 38.000 -0.216 0.000 1.342 183 I HN 0.459 nan 8.210 nan 0.000 0.457 184 R N 5.087 125.606 120.500 0.032 0.000 2.294 184 R HA 0.828 5.182 4.340 0.023 0.000 0.319 184 R C -0.817 175.502 176.300 0.031 0.000 0.984 184 R CA -0.527 55.591 56.100 0.030 0.000 0.861 184 R CB 1.902 32.225 30.300 0.039 0.000 1.104 184 R HN 0.795 nan 8.270 nan 0.000 0.451 185 A N 2.304 125.141 122.820 0.028 0.000 2.604 185 A HA 0.325 4.659 4.320 0.023 0.000 0.295 185 A C -0.347 177.274 177.584 0.060 0.000 1.067 185 A CA -0.767 51.293 52.037 0.038 0.000 0.683 185 A CB 1.360 20.374 19.000 0.023 0.000 1.281 185 A HN 0.617 nan 8.150 nan 0.000 0.407 186 N N 0.190 118.941 118.700 0.084 0.000 2.336 186 N HA 0.395 5.149 4.740 0.023 0.000 0.189 186 N C -0.039 175.565 175.510 0.157 0.000 1.113 186 N CA 1.156 54.299 53.050 0.155 0.000 0.858 186 N CB 0.873 39.450 38.487 0.149 0.000 0.970 186 N HN 1.009 nan 8.380 nan 0.000 0.471 187 A N -0.214 122.665 122.820 0.097 0.000 2.540 187 A HA 0.607 4.941 4.320 0.023 0.000 0.297 187 A C -1.150 176.482 177.584 0.080 0.000 1.056 187 A CA -0.557 51.552 52.037 0.120 0.000 0.700 187 A CB 1.207 20.335 19.000 0.214 0.000 1.280 187 A HN -0.126 nan 8.150 nan 0.000 0.398 188 V N 0.933 120.902 119.914 0.092 0.000 2.735 188 V HA 0.749 4.883 4.120 0.023 0.000 0.310 188 V C -0.285 175.878 176.094 0.115 0.000 1.061 188 V CA -0.810 61.519 62.300 0.048 0.000 0.913 188 V CB 1.577 33.391 31.823 -0.015 0.000 1.005 188 V HN 0.757 nan 8.190 nan 0.000 0.428 189 V N 4.282 124.228 119.914 0.054 0.000 2.581 189 V HA 0.614 4.748 4.120 0.023 0.000 0.303 189 V C -0.318 175.791 176.094 0.024 0.000 1.041 189 V CA -0.503 61.839 62.300 0.070 0.000 0.907 189 V CB 1.816 33.635 31.823 -0.007 0.000 0.994 189 V HN 0.951 nan 8.190 nan 0.000 0.442 190 M N 4.503 124.120 119.600 0.028 0.000 2.053 190 M HA 0.764 5.258 4.480 0.023 0.000 0.297 190 M C -0.577 175.715 176.300 -0.012 0.000 0.921 190 M CA -0.199 55.093 55.300 -0.012 0.000 0.918 190 M CB 1.363 33.943 32.600 -0.034 0.000 1.499 190 M HN 0.724 nan 8.290 nan 0.000 0.422 191 A N 3.187 125.996 122.820 -0.019 0.000 2.586 191 A HA 0.551 4.885 4.320 0.023 0.000 0.320 191 A C 0.467 178.032 177.584 -0.033 0.000 1.281 191 A CA -0.389 51.641 52.037 -0.012 0.000 0.775 191 A CB -0.083 18.923 19.000 0.011 0.000 1.122 191 A HN 0.878 nan 8.150 nan 0.000 0.470 192 T N -1.307 113.216 114.554 -0.052 0.000 3.054 192 T HA 0.511 4.875 4.350 0.023 0.000 0.255 192 T C 1.016 175.685 174.700 -0.051 0.000 1.035 192 T CA 0.573 62.629 62.100 -0.074 0.000 0.941 192 T CB -0.142 68.654 68.868 -0.119 0.000 1.026 192 T HN 2.311 nan 8.240 nan 0.000 0.533 193 G N 0.139 108.925 108.800 -0.022 0.000 2.712 193 G HA2 0.300 4.274 3.960 0.023 0.000 0.683 193 G HA3 0.300 4.274 3.960 0.023 0.000 0.683 193 G C 0.058 174.938 174.900 -0.035 0.000 1.320 193 G CA -0.610 44.490 45.100 0.000 0.000 0.847 193 G HN 0.781 nan 8.290 nan 0.000 0.553 194 G N -1.112 107.664 108.800 -0.040 0.000 2.653 194 G HA2 0.652 4.626 3.960 0.023 0.000 0.265 194 G HA3 0.652 4.626 3.960 0.023 0.000 0.265 194 G C 0.930 175.781 174.900 -0.081 0.000 1.237 194 G CA 0.603 45.649 45.100 -0.090 0.000 0.946 194 G HN 2.117 nan 8.290 nan 0.000 0.522 195 A N -0.567 122.208 122.820 -0.075 0.000 2.713 195 A HA 0.528 4.862 4.320 0.023 0.000 0.296 195 A C 1.874 179.459 177.584 0.003 0.000 1.255 195 A CA 0.729 52.748 52.037 -0.028 0.000 0.955 195 A CB -0.079 18.916 19.000 -0.008 0.000 1.149 195 A HN 1.020 nan 8.150 nan 0.000 0.538 196 G N 0.124 108.896 108.800 -0.047 0.000 2.479 196 G HA2 -0.195 3.779 3.960 0.023 0.000 0.220 196 G HA3 -0.195 3.779 3.960 0.023 0.000 0.220 196 G C 1.438 176.354 174.900 0.026 0.000 1.115 196 G CA 0.327 45.403 45.100 -0.040 0.000 0.757 196 G HN 0.443 nan 8.290 nan 0.000 0.560 197 R N 0.021 120.527 120.500 0.009 0.000 2.316 197 R HA 0.081 4.435 4.340 0.023 0.000 0.202 197 R C 2.288 178.624 176.300 0.061 0.000 1.029 197 R CA 0.250 56.365 56.100 0.024 0.000 1.018 197 R CB -0.416 29.882 30.300 -0.002 0.000 0.888 197 R HN 0.377 nan 8.270 nan 0.000 0.471 198 V N 0.213 120.188 119.914 0.101 0.000 2.453 198 V HA -0.143 3.991 4.120 0.023 0.000 0.247 198 V C 0.369 176.485 176.094 0.037 0.000 1.048 198 V CA 1.145 63.482 62.300 0.061 0.000 1.049 198 V CB -0.197 31.655 31.823 0.048 0.000 0.672 198 V HN 0.048 nan 8.190 nan 0.000 0.457 199 Y N 0.266 120.562 120.300 -0.007 0.000 2.379 199 Y HA 0.193 4.757 4.550 0.023 0.000 0.337 199 Y C 1.761 177.662 175.900 0.001 0.000 1.238 199 Y CA 0.436 58.549 58.100 0.022 0.000 1.405 199 Y CB 0.211 38.684 38.460 0.022 0.000 1.310 199 Y HN 0.022 nan 8.280 nan 0.000 0.569 200 R N 1.126 121.703 120.500 0.128 0.000 2.193 200 R HA -0.096 4.258 4.340 0.023 0.000 0.229 200 R C -0.967 175.165 176.300 -0.281 0.000 1.110 200 R CA 1.228 57.267 56.100 -0.102 0.000 0.988 200 R CB -0.002 30.222 30.300 -0.126 0.000 0.871 200 R HN 0.702 nan 8.270 nan 0.000 0.458 201 Y N 0.423 120.833 120.300 0.184 0.000 2.322 201 Y HA 0.265 4.829 4.550 0.023 0.000 0.324 201 Y C -0.726 175.221 175.900 0.078 0.000 1.027 201 Y CA -1.186 56.997 58.100 0.138 0.000 1.179 201 Y CB 1.548 40.117 38.460 0.182 0.000 1.136 201 Y HN 0.124 nan 8.280 nan 0.000 0.449 202 N N -1.761 117.041 118.700 0.171 0.000 2.972 202 N HA 0.422 5.176 4.740 0.023 0.000 0.262 202 N C 0.186 175.740 175.510 0.072 0.000 1.478 202 N CA -0.614 52.477 53.050 0.069 0.000 0.841 202 N CB 1.082 39.587 38.487 0.030 0.000 1.512 202 N HN 0.291 nan 8.380 nan 0.000 0.548 203 T N -3.731 110.867 114.554 0.074 0.000 2.990 203 T HA 0.242 4.606 4.350 0.023 0.000 0.250 203 T C -0.053 174.714 174.700 0.110 0.000 1.041 203 T CA -0.097 62.075 62.100 0.119 0.000 1.010 203 T CB -0.773 68.225 68.868 0.217 0.000 1.003 203 T HN 0.473 nan 8.240 nan 0.000 0.499 204 N N 1.245 119.917 118.700 -0.046 0.000 2.381 204 N HA 0.405 5.159 4.740 0.023 0.000 0.241 204 N C 0.548 175.932 175.510 -0.209 0.000 1.279 204 N CA -0.287 52.529 53.050 -0.390 0.000 0.896 204 N CB 0.343 38.583 38.487 -0.412 0.000 1.118 204 N HN 0.451 nan 8.380 nan 0.000 0.438 205 G N -0.758 107.875 108.800 -0.278 0.000 2.606 205 G HA2 0.208 4.182 3.960 0.023 0.000 0.252 205 G HA3 0.208 4.182 3.960 0.023 0.000 0.252 205 G C 1.053 175.936 174.900 -0.028 0.000 1.206 205 G CA -0.501 44.610 45.100 0.018 0.000 0.861 205 G HN 0.612 nan 8.290 nan 0.000 0.561 206 G N -0.453 108.360 108.800 0.021 0.000 2.586 206 G HA2 -0.116 3.858 3.960 0.023 0.000 0.215 206 G HA3 -0.116 3.858 3.960 0.023 0.000 0.215 206 G C 1.281 176.187 174.900 0.009 0.000 1.128 206 G CA 1.066 46.167 45.100 0.002 0.000 0.774 206 G HN 0.740 nan 8.290 nan 0.000 0.543 207 I N -1.883 118.697 120.570 0.016 0.000 3.883 207 I HA 0.268 4.452 4.170 0.023 0.000 0.326 207 I C 0.385 176.486 176.117 -0.027 0.000 1.283 207 I CA -0.136 61.172 61.300 0.013 0.000 1.161 207 I CB 0.528 38.543 38.000 0.026 0.000 1.012 207 I HN -0.194 nan 8.210 nan 0.000 0.421 208 V N 3.219 123.097 119.914 -0.060 0.000 2.052 208 V HA 0.026 4.160 4.120 0.023 0.000 0.281 208 V C 1.672 177.735 176.094 -0.052 0.000 1.668 208 V CA 0.943 63.190 62.300 -0.089 0.000 1.621 208 V CB -0.665 31.040 31.823 -0.197 0.000 1.488 208 V HN 0.585 nan 8.190 nan 0.000 0.513 209 T N -2.259 112.282 114.554 -0.021 0.000 3.107 209 T HA 0.191 4.555 4.350 0.023 0.000 0.249 209 T C 1.513 176.221 174.700 0.014 0.000 1.096 209 T CA 0.429 62.540 62.100 0.018 0.000 1.012 209 T CB 0.282 69.192 68.868 0.072 0.000 0.977 209 T HN 0.949 nan 8.240 nan 0.000 0.527 210 G N 2.262 111.044 108.800 -0.031 0.000 2.323 210 G HA2 -0.265 3.709 3.960 0.023 0.000 0.292 210 G HA3 -0.265 3.709 3.960 0.023 0.000 0.292 210 G C 0.384 175.241 174.900 -0.072 0.000 1.040 210 G CA 0.327 45.397 45.100 -0.051 0.000 0.942 210 G HN 0.496 nan 8.290 nan 0.000 0.506 211 D N 0.538 120.869 120.400 -0.115 0.000 2.108 211 D HA -0.156 4.498 4.640 0.023 0.000 0.190 211 D C 2.601 178.664 176.300 -0.395 0.000 0.995 211 D CA 1.928 55.743 54.000 -0.309 0.000 0.834 211 D CB -0.960 39.674 40.800 -0.278 0.000 0.967 211 D HN 0.591 nan 8.370 nan 0.000 0.446 212 G N 1.208 109.854 108.800 -0.258 0.000 2.624 212 G HA2 -0.358 3.616 3.960 0.023 0.000 0.221 212 G HA3 -0.358 3.616 3.960 0.023 0.000 0.221 212 G C 1.723 176.529 174.900 -0.157 0.000 1.169 212 G CA 1.749 46.734 45.100 -0.191 0.000 0.771 212 G HN 0.233 nan 8.290 nan 0.000 0.598 213 M N 0.503 120.026 119.600 -0.129 0.000 2.089 213 M HA -0.085 4.409 4.480 0.023 0.000 0.257 213 M C 2.880 179.127 176.300 -0.088 0.000 1.071 213 M CA 1.765 57.006 55.300 -0.099 0.000 1.096 213 M CB -0.743 31.810 32.600 -0.078 0.000 1.330 213 M HN 0.303 nan 8.290 nan 0.000 0.403 214 G N -0.377 108.367 108.800 -0.093 0.000 2.422 214 G HA2 -0.164 3.810 3.960 0.023 0.000 0.218 214 G HA3 -0.164 3.810 3.960 0.023 0.000 0.218 214 G C 1.510 176.390 174.900 -0.033 0.000 1.140 214 G CA 0.478 45.572 45.100 -0.010 0.000 0.775 214 G HN 0.365 nan 8.290 nan 0.000 0.545 215 M N 0.574 120.076 119.600 -0.165 0.000 2.374 215 M HA 0.059 4.553 4.480 0.023 0.000 0.264 215 M C 2.800 179.114 176.300 0.024 0.000 1.067 215 M CA 1.128 56.383 55.300 -0.075 0.000 1.103 215 M CB 0.034 32.554 32.600 -0.132 0.000 1.402 215 M HN 0.355 nan 8.290 nan 0.000 0.444 216 A N -0.215 122.591 122.820 -0.023 0.000 1.943 216 A HA 0.047 4.381 4.320 0.023 0.000 0.213 216 A C 1.987 179.565 177.584 -0.010 0.000 1.181 216 A CA 0.386 52.416 52.037 -0.011 0.000 0.653 216 A CB -0.501 18.455 19.000 -0.074 0.000 0.833 216 A HN 0.386 nan 8.150 nan 0.000 0.451 217 L N 0.855 122.053 121.223 -0.041 0.000 2.043 217 L HA -0.231 4.123 4.340 0.023 0.000 0.212 217 L C 2.921 179.772 176.870 -0.032 0.000 1.075 217 L CA 1.849 56.656 54.840 -0.054 0.000 0.752 217 L CB -0.300 41.734 42.059 -0.042 0.000 0.891 217 L HN 0.617 nan 8.230 nan 0.000 0.432 218 S N -2.227 113.456 115.700 -0.028 0.000 2.442 218 S HA -0.191 4.293 4.470 0.023 0.000 0.236 218 S C 1.445 175.919 174.600 -0.210 0.000 1.007 218 S CA 0.767 58.903 58.200 -0.107 0.000 0.965 218 S CB -0.435 62.687 63.200 -0.131 0.000 0.773 218 S HN 0.472 nan 8.310 nan 0.000 0.504 219 H N 1.028 120.085 119.070 -0.021 0.000 2.524 219 H HA 0.359 4.931 4.556 0.027 0.000 0.299 219 H C 1.519 176.833 175.328 -0.023 0.000 1.074 219 H CA 0.172 56.207 56.048 -0.022 0.000 1.115 219 H CB -0.060 29.680 29.762 -0.036 0.000 1.522 219 H HN 0.587 nan 8.280 nan 0.000 0.543 220 G N 1.170 110.001 108.800 0.052 0.000 2.160 220 G HA2 -0.276 3.698 3.960 0.023 0.000 0.251 220 G HA3 -0.276 3.698 3.960 0.023 0.000 0.251 220 G C 0.170 175.066 174.900 -0.007 0.000 1.008 220 G CA 0.509 45.651 45.100 0.070 0.000 0.724 220 G HN 0.236 nan 8.290 nan 0.000 0.514 221 V N 1.414 121.263 119.914 -0.108 0.000 2.532 221 V HA 0.677 4.811 4.120 0.023 0.000 0.295 221 V C -1.292 174.514 176.094 -0.481 0.000 1.041 221 V CA -1.593 60.565 62.300 -0.237 0.000 0.926 221 V CB 1.937 33.665 31.823 -0.158 0.000 0.992 221 V HN 0.224 nan 8.190 nan 0.000 0.457 222 P HA 0.464 nan 4.420 nan 0.000 0.281 222 P C -1.297 175.754 177.300 -0.415 0.000 1.264 222 P CA -0.611 61.944 63.100 -0.908 0.000 0.824 222 P CB 1.649 32.548 31.700 -1.335 0.000 1.092 223 L N 1.485 122.533 121.223 -0.292 0.000 2.324 223 L HA 0.446 4.800 4.340 0.023 0.000 0.274 223 L C 0.963 177.774 176.870 -0.098 0.000 1.012 223 L CA -0.758 53.984 54.840 -0.162 0.000 0.859 223 L CB 1.118 43.108 42.059 -0.114 0.000 1.224 223 L HN 0.358 nan 8.230 nan 0.000 0.429 224 R N 3.090 123.533 120.500 -0.095 0.000 2.537 224 R HA 0.025 4.379 4.340 0.023 0.000 0.280 224 R C 0.018 176.348 176.300 0.050 0.000 1.058 224 R CA 0.038 56.116 56.100 -0.037 0.000 1.057 224 R CB 0.336 30.560 30.300 -0.126 0.000 0.973 224 R HN 0.574 nan 8.270 nan 0.000 0.438 225 D N 4.157 124.665 120.400 0.179 0.000 2.702 225 D HA -0.240 4.414 4.640 0.023 0.000 0.233 225 D C 0.634 177.150 176.300 0.361 0.000 1.164 225 D CA 0.692 54.918 54.000 0.377 0.000 0.638 225 D CB -0.267 40.705 40.800 0.287 0.000 1.041 225 D HN 0.600 nan 8.370 nan 0.000 0.422 226 M N -0.162 119.529 119.600 0.153 0.000 2.549 226 M HA -0.130 4.364 4.480 0.023 0.000 0.260 226 M C 2.039 178.357 176.300 0.030 0.000 1.076 226 M CA 1.125 56.471 55.300 0.076 0.000 1.090 226 M CB -0.416 32.196 32.600 0.021 0.000 1.418 226 M HN 0.228 nan 8.290 nan 0.000 0.486 227 E N 0.093 120.231 120.200 -0.103 0.000 2.516 227 E HA -0.074 4.290 4.350 0.023 0.000 0.199 227 E C -0.492 175.777 176.600 -0.551 0.000 1.069 227 E CA 0.262 56.402 56.400 -0.434 0.000 0.876 227 E CB -0.524 28.682 29.700 -0.823 0.000 0.843 227 E HN 0.300 nan 8.360 nan 0.000 0.530 228 F N 0.988 120.903 119.950 -0.060 0.000 2.388 228 F HA 0.372 4.913 4.527 0.023 0.000 0.358 228 F C -0.114 175.689 175.800 0.005 0.000 1.122 228 F CA -1.120 56.875 58.000 -0.008 0.000 1.056 228 F CB 1.765 40.765 39.000 -0.001 0.000 1.155 228 F HN -0.319 nan 8.300 nan 0.000 0.461 229 V N 3.145 123.180 119.914 0.202 0.000 2.531 229 V HA 0.344 4.478 4.120 0.023 0.000 0.301 229 V C -0.449 175.772 176.094 0.210 0.000 1.034 229 V CA -0.985 61.398 62.300 0.139 0.000 0.865 229 V CB 1.697 33.596 31.823 0.127 0.000 0.995 229 V HN 0.721 nan 8.190 nan 0.000 0.424 230 Q N 3.167 123.056 119.800 0.147 0.000 2.349 230 Q HA 0.381 4.735 4.340 0.023 0.000 0.254 230 Q C -1.573 174.559 176.000 0.221 0.000 0.980 230 Q CA -0.442 55.483 55.803 0.202 0.000 0.924 230 Q CB 0.606 29.478 28.738 0.224 0.000 1.209 230 Q HN 0.686 nan 8.270 nan 0.000 0.445 231 Y N 2.325 122.620 120.300 -0.010 0.000 2.304 231 Y HA 0.158 4.722 4.550 0.023 0.000 0.328 231 Y C 0.423 176.329 175.900 0.010 0.000 1.123 231 Y CA -0.454 57.638 58.100 -0.014 0.000 1.218 231 Y CB 0.769 39.168 38.460 -0.101 0.000 1.207 231 Y HN 0.563 nan 8.280 nan 0.000 0.495 232 H N 5.780 124.897 119.070 0.077 0.000 2.487 232 H HA 0.168 4.737 4.556 0.023 0.000 0.333 232 H C -1.649 173.672 175.328 -0.011 0.000 1.114 232 H CA -2.270 53.759 56.048 -0.032 0.000 1.310 232 H CB 2.025 31.666 29.762 -0.203 0.000 1.462 232 H HN 0.410 nan 8.280 nan 0.000 0.516 233 P HA -0.087 nan 4.420 nan 0.000 0.216 233 P C -0.233 177.134 177.300 0.111 0.000 1.150 233 P CA 0.831 63.949 63.100 0.031 0.000 0.837 233 P CB 0.436 32.093 31.700 -0.072 0.000 0.786 234 A N 0.133 123.095 122.820 0.237 0.000 2.291 234 A HA 0.638 4.972 4.320 0.023 0.000 0.311 234 A C 0.058 177.677 177.584 0.058 0.000 1.224 234 A CA -0.272 51.825 52.037 0.100 0.000 0.821 234 A CB 1.164 20.207 19.000 0.071 0.000 1.172 234 A HN 0.176 nan 8.150 nan 0.000 0.494 235 G N 1.575 110.411 108.800 0.061 0.000 2.707 235 G HA2 0.532 4.506 3.960 0.023 0.000 0.299 235 G HA3 0.532 4.506 3.960 0.023 0.000 0.299 235 G C -1.210 173.724 174.900 0.056 0.000 1.442 235 G CA -0.396 44.737 45.100 0.055 0.000 1.009 235 G HN 0.655 nan 8.290 nan 0.000 0.515 236 L N 3.047 124.293 121.223 0.039 0.000 2.418 236 L HA 0.541 4.895 4.340 0.023 0.000 0.265 236 L C -2.030 174.891 176.870 0.085 0.000 1.143 236 L CA -2.015 52.852 54.840 0.045 0.000 0.809 236 L CB 1.164 43.228 42.059 0.008 0.000 1.124 236 L HN 0.235 nan 8.230 nan 0.000 0.456 237 P HA 0.141 nan 4.420 nan 0.000 0.262 237 P C 0.574 177.993 177.300 0.199 0.000 1.182 237 P CA 1.308 64.508 63.100 0.167 0.000 0.761 237 P CB 0.530 32.309 31.700 0.132 0.000 0.795 238 G N 3.361 112.364 108.800 0.338 0.000 3.639 238 G HA2 -0.401 3.573 3.960 0.023 0.000 0.224 238 G HA3 -0.401 3.573 3.960 0.023 0.000 0.224 238 G C 1.648 176.622 174.900 0.122 0.000 1.339 238 G CA 0.988 46.207 45.100 0.197 0.000 0.933 238 G HN 0.597 nan 8.290 nan 0.000 0.568 239 S N 1.097 116.832 115.700 0.059 0.000 2.402 239 S HA 0.305 4.789 4.470 0.023 0.000 0.229 239 S C 2.525 177.125 174.600 -0.000 0.000 1.021 239 S CA 1.740 59.908 58.200 -0.053 0.000 0.974 239 S CB -0.639 62.384 63.200 -0.295 0.000 0.800 239 S HN 2.609 nan 8.310 nan 0.000 0.484 240 G N 1.297 110.138 108.800 0.068 0.000 2.283 240 G HA2 -0.262 3.712 3.960 0.023 0.000 0.280 240 G HA3 -0.262 3.712 3.960 0.023 0.000 0.280 240 G C 0.007 174.918 174.900 0.018 0.000 1.029 240 G CA 0.418 45.570 45.100 0.088 0.000 0.840 240 G HN 0.659 nan 8.290 nan 0.000 0.505 241 I N 0.824 121.365 120.570 -0.048 0.000 2.581 241 I HA 0.100 4.284 4.170 0.023 0.000 0.285 241 I C 1.528 177.613 176.117 -0.053 0.000 1.129 241 I CA -0.315 60.939 61.300 -0.077 0.000 1.397 241 I CB 0.287 38.160 38.000 -0.211 0.000 1.399 241 I HN 0.104 nan 8.210 nan 0.000 0.537 242 L N 7.300 128.495 121.223 -0.047 0.000 2.482 242 L HA 0.117 4.471 4.340 0.023 0.000 0.273 242 L C 0.156 176.968 176.870 -0.097 0.000 1.228 242 L CA 0.139 54.885 54.840 -0.157 0.000 0.827 242 L CB 0.164 42.040 42.059 -0.305 0.000 1.099 242 L HN 0.513 nan 8.230 nan 0.000 0.494 243 M N 1.621 121.150 119.600 -0.118 0.000 2.067 243 M HA 0.191 4.685 4.480 0.023 0.000 0.286 243 M C -0.036 176.280 176.300 0.026 0.000 0.922 243 M CA -0.398 54.892 55.300 -0.017 0.000 0.937 243 M CB 1.051 33.658 32.600 0.011 0.000 1.550 243 M HN 0.625 nan 8.290 nan 0.000 0.433 244 T N 1.163 115.755 114.554 0.062 0.000 2.701 244 T HA -0.062 4.302 4.350 0.023 0.000 0.354 244 T C 1.195 176.014 174.700 0.198 0.000 1.085 244 T CA 1.052 63.249 62.100 0.163 0.000 1.094 244 T CB 0.539 69.505 68.868 0.163 0.000 1.010 244 T HN 0.752 nan 8.240 nan 0.000 0.548 245 E N 0.383 120.725 120.200 0.237 0.000 2.415 245 E HA 0.144 4.508 4.350 0.023 0.000 0.197 245 E C 2.028 178.662 176.600 0.057 0.000 1.007 245 E CA 0.294 56.750 56.400 0.094 0.000 0.890 245 E CB -0.175 29.483 29.700 -0.071 0.000 0.891 245 E HN 0.832 nan 8.360 nan 0.000 0.496 246 G N -0.029 108.851 108.800 0.134 0.000 2.744 246 G HA2 -0.160 3.814 3.960 0.023 0.000 0.211 246 G HA3 -0.160 3.814 3.960 0.023 0.000 0.211 246 G C 1.382 176.321 174.900 0.066 0.000 1.143 246 G CA 0.145 45.308 45.100 0.104 0.000 0.788 246 G HN 0.289 nan 8.290 nan 0.000 0.534 247 C N -0.473 118.867 119.300 0.067 0.000 2.440 247 C HA 0.083 4.556 4.460 0.023 0.000 0.278 247 C C 2.713 177.726 174.990 0.038 0.000 1.295 247 C CA 0.654 59.700 59.018 0.047 0.000 1.738 247 C CB -0.578 27.190 27.740 0.046 0.000 1.987 247 C HN 0.540 nan 8.230 nan 0.000 0.492 248 R N 0.855 121.375 120.500 0.033 0.000 2.153 248 R HA -0.024 4.330 4.340 0.023 0.000 0.218 248 R C 2.286 178.599 176.300 0.022 0.000 1.072 248 R CA 1.253 57.370 56.100 0.028 0.000 0.990 248 R CB -0.527 29.781 30.300 0.013 0.000 0.889 248 R HN 0.558 nan 8.270 nan 0.000 0.452 249 G N 0.765 109.573 108.800 0.014 0.000 2.462 249 G HA2 -0.206 3.768 3.960 0.023 0.000 0.220 249 G HA3 -0.206 3.768 3.960 0.023 0.000 0.220 249 G C 0.607 175.520 174.900 0.022 0.000 1.121 249 G CA 0.508 45.615 45.100 0.012 0.000 0.758 249 G HN 0.347 nan 8.290 nan 0.000 0.559 250 E N 0.598 120.816 120.200 0.028 0.000 2.434 250 E HA 0.296 4.660 4.350 0.023 0.000 0.243 250 E C 1.357 177.986 176.600 0.049 0.000 1.250 250 E CA 0.183 56.603 56.400 0.033 0.000 1.568 250 E CB -0.154 29.563 29.700 0.028 0.000 1.435 250 E HN 0.354 nan 8.360 nan 0.000 0.432 251 G N 1.163 109.997 108.800 0.057 0.000 2.168 251 G HA2 -0.300 3.674 3.960 0.023 0.000 0.263 251 G HA3 -0.300 3.674 3.960 0.023 0.000 0.263 251 G C 0.700 175.689 174.900 0.148 0.000 0.977 251 G CA 0.057 45.212 45.100 0.091 0.000 0.659 251 G HN 0.534 nan 8.290 nan 0.000 0.533 252 G N 0.313 109.174 108.800 0.101 0.000 2.313 252 G HA2 0.572 4.546 3.960 0.023 0.000 0.250 252 G HA3 0.572 4.546 3.960 0.023 0.000 0.250 252 G C 0.505 175.481 174.900 0.127 0.000 1.281 252 G CA 0.368 45.534 45.100 0.110 0.000 0.917 252 G HN 1.466 nan 8.290 nan 0.000 0.501 288 D N 2.214 122.572 120.400 -0.070 0.000 2.420 288 D HA -0.183 4.471 4.640 0.023 0.000 0.233 288 D C 1.128 177.472 176.300 0.074 0.000 1.017 288 D CA 0.899 54.856 54.000 -0.071 0.000 0.951 288 D CB 0.371 41.056 40.800 -0.192 0.000 0.877 288 D HN 0.342 nan 8.370 nan 0.000 0.528 289 K N 1.155 121.586 120.400 0.051 0.000 2.005 289 K HA -0.063 4.271 4.320 0.023 0.000 0.206 289 K C 1.990 178.645 176.600 0.092 0.000 1.044 289 K CA 1.081 57.417 56.287 0.081 0.000 0.942 289 K CB -0.612 31.914 32.500 0.045 0.000 0.727 289 K HN -0.006 nan 8.250 nan 0.000 0.439 290 V N 1.242 121.175 119.914 0.032 0.000 2.379 290 V HA -0.189 3.945 4.120 0.023 0.000 0.245 290 V C 2.164 178.276 176.094 0.030 0.000 1.044 290 V CA 1.924 64.233 62.300 0.014 0.000 1.036 290 V CB -0.495 31.291 31.823 -0.060 0.000 0.664 290 V HN 0.423 nan 8.190 nan 0.000 0.453 291 S N -0.330 115.361 115.700 -0.015 0.000 2.368 291 S HA -0.404 4.080 4.470 0.023 0.000 0.226 291 S C 1.932 176.762 174.600 0.382 0.000 1.044 291 S CA 2.319 60.539 58.200 0.034 0.000 1.062 291 S CB -0.440 62.703 63.200 -0.096 0.000 0.931 291 S HN 0.682 nan 8.310 nan 0.000 0.440 292 Q N 0.901 120.910 119.800 0.349 0.000 1.993 292 Q HA -0.104 4.250 4.340 0.023 0.000 0.202 292 Q C 2.455 178.762 176.000 0.510 0.000 0.984 292 Q CA 1.311 57.430 55.803 0.526 0.000 0.837 292 Q CB -0.478 28.570 28.738 0.516 0.000 0.902 292 Q HN 0.533 nan 8.270 nan 0.000 0.423 293 A N 0.993 124.028 122.820 0.358 0.000 1.929 293 A HA -0.264 4.070 4.320 0.023 0.000 0.221 293 A C 1.871 179.417 177.584 -0.062 0.000 1.211 293 A CA 2.150 54.237 52.037 0.082 0.000 0.657 293 A CB -1.400 17.677 19.000 0.129 0.000 0.827 293 A HN 0.743 nan 8.150 nan 0.000 0.462 294 F N -3.574 116.343 119.950 -0.055 0.000 2.416 294 F HA 0.037 4.578 4.527 0.023 0.000 0.296 294 F C 2.146 177.813 175.800 -0.221 0.000 1.099 294 F CA 0.313 58.311 58.000 -0.004 0.000 1.427 294 F CB -0.277 38.815 39.000 0.153 0.000 1.079 294 F HN 0.383 nan 8.300 nan 0.000 0.536 295 W N 3.151 124.060 121.300 -0.652 0.000 2.407 295 W HA -0.151 4.523 4.660 0.023 0.000 0.305 295 W C 2.169 178.196 176.519 -0.820 0.000 1.196 295 W CA 2.013 58.616 57.345 -1.237 0.000 1.311 295 W CB -0.446 28.692 29.460 -0.537 0.000 1.135 295 W HN 0.337 nan 8.180 nan 0.000 0.514 296 H N -0.892 118.070 119.070 -0.179 0.000 2.524 296 H HA 0.194 4.764 4.556 0.023 0.000 0.280 296 H C 0.994 176.286 175.328 -0.060 0.000 1.018 296 H CA 0.340 56.307 56.048 -0.134 0.000 1.165 296 H CB -0.485 29.237 29.762 -0.066 0.000 1.411 296 H HN 0.264 nan 8.280 nan 0.000 0.569 297 E N 0.141 120.166 120.200 -0.291 0.000 2.385 297 E HA -0.035 4.329 4.350 0.023 0.000 0.194 297 E C 0.803 177.496 176.600 0.155 0.000 1.013 297 E CA 0.061 56.421 56.400 -0.067 0.000 0.866 297 E CB 0.114 29.822 29.700 0.013 0.000 0.832 297 E HN 0.454 nan 8.360 nan 0.000 0.500 298 W N 1.065 122.233 121.300 -0.220 0.000 2.467 298 W HA -0.072 4.602 4.660 0.023 0.000 0.275 298 W C 2.229 178.660 176.519 -0.148 0.000 1.239 298 W CA 0.611 57.818 57.345 -0.229 0.000 1.266 298 W CB -0.520 28.714 29.460 -0.376 0.000 1.112 298 W HN 0.095 nan 8.180 nan 0.000 0.576 299 R N 0.878 121.439 120.500 0.101 0.000 2.240 299 R HA 0.119 4.473 4.340 0.023 0.000 0.203 299 R C 1.862 178.186 176.300 0.040 0.000 1.011 299 R CA 1.818 57.950 56.100 0.054 0.000 1.007 299 R CB -0.392 29.933 30.300 0.042 0.000 0.911 299 R HN -0.007 nan 8.270 nan 0.000 0.468 300 K N 0.462 120.888 120.400 0.043 0.000 2.373 300 K HA 0.304 4.638 4.320 0.023 0.000 0.200 300 K C 1.062 177.675 176.600 0.022 0.000 1.054 300 K CA 0.334 56.641 56.287 0.033 0.000 1.065 300 K CB 0.196 32.722 32.500 0.044 0.000 0.886 300 K HN 0.433 nan 8.250 nan 0.000 0.546 301 G N 1.195 110.007 108.800 0.020 0.000 2.171 301 G HA2 -0.190 3.784 3.960 0.023 0.000 0.238 301 G HA3 -0.190 3.784 3.960 0.023 0.000 0.238 301 G C 0.285 175.194 174.900 0.015 0.000 1.039 301 G CA 0.250 45.355 45.100 0.008 0.000 0.759 301 G HN 0.449 nan 8.290 nan 0.000 0.501 302 N N -0.340 118.376 118.700 0.028 0.000 2.236 302 N HA 0.132 4.886 4.740 0.023 0.000 0.196 302 N C 0.965 176.503 175.510 0.048 0.000 1.114 302 N CA 0.776 53.844 53.050 0.030 0.000 0.859 302 N CB 0.667 39.169 38.487 0.024 0.000 0.982 302 N HN 0.493 nan 8.380 nan 0.000 0.493 303 T N 0.054 114.646 114.554 0.064 0.000 2.904 303 T HA 0.551 4.915 4.350 0.023 0.000 0.290 303 T C -0.074 174.649 174.700 0.039 0.000 1.018 303 T CA -0.450 61.707 62.100 0.095 0.000 1.075 303 T CB 0.440 69.384 68.868 0.127 0.000 0.986 303 T HN 0.081 nan 8.240 nan 0.000 0.523 304 I N 2.838 123.442 120.570 0.057 0.000 2.359 304 I HA 0.632 4.816 4.170 0.023 0.000 0.284 304 I C 0.746 176.868 176.117 0.009 0.000 1.018 304 I CA -0.928 60.389 61.300 0.029 0.000 1.173 304 I CB 0.552 38.579 38.000 0.046 0.000 1.326 304 I HN 0.816 nan 8.210 nan 0.000 0.462 305 S N 3.830 119.513 115.700 -0.028 0.000 2.544 305 S HA 0.453 4.937 4.470 0.023 0.000 0.290 305 S C 0.757 175.341 174.600 -0.026 0.000 1.276 305 S CA 0.700 58.867 58.200 -0.055 0.000 1.075 305 S CB -0.061 63.099 63.200 -0.066 0.000 0.849 305 S HN 1.501 nan 8.310 nan 0.000 0.494 306 T N 2.808 117.344 114.554 -0.029 0.000 2.864 306 T HA 0.595 4.959 4.350 0.023 0.000 0.289 306 T C -1.932 172.759 174.700 -0.016 0.000 1.082 306 T CA -1.327 60.771 62.100 -0.004 0.000 1.009 306 T CB 0.580 69.464 68.868 0.026 0.000 1.234 306 T HN 0.313 nan 8.240 nan 0.000 0.526 307 P HA 0.128 nan 4.420 nan 0.000 0.220 307 P C 1.425 178.728 177.300 0.005 0.000 1.148 307 P CA 1.473 64.575 63.100 0.003 0.000 0.803 307 P CB -0.025 31.686 31.700 0.018 0.000 0.782 308 R N -0.847 119.662 120.500 0.015 0.000 2.444 308 R HA 0.563 4.917 4.340 0.023 0.000 0.201 308 R C 1.159 177.467 176.300 0.014 0.000 0.861 308 R CA 1.153 57.269 56.100 0.026 0.000 1.034 308 R CB -0.023 30.311 30.300 0.057 0.000 1.347 308 R HN 0.386 nan 8.270 nan 0.000 0.659 314 L N 4.056 125.307 121.223 0.048 0.000 2.257 314 L HA 0.739 5.093 4.340 0.023 0.000 0.290 314 L C -0.495 176.416 176.870 0.068 0.000 1.044 314 L CA -0.792 54.080 54.840 0.053 0.000 0.810 314 L CB 1.273 43.358 42.059 0.042 0.000 1.193 314 L HN 0.815 nan 8.230 nan 0.000 0.425 315 D N 3.823 124.285 120.400 0.103 0.000 2.408 315 D HA 0.424 5.078 4.640 0.023 0.000 0.243 315 D C 0.131 176.561 176.300 0.216 0.000 1.075 315 D CA -0.282 53.803 54.000 0.143 0.000 0.832 315 D CB 0.981 41.864 40.800 0.139 0.000 1.162 315 D HN 0.537 nan 8.370 nan 0.000 0.515 316 L N 3.163 124.444 121.223 0.096 0.000 2.920 316 L HA 0.329 4.683 4.340 0.023 0.000 0.257 316 L C 2.268 179.049 176.870 -0.150 0.000 1.150 316 L CA -0.652 54.128 54.840 -0.099 0.000 0.959 316 L CB -0.043 41.971 42.059 -0.075 0.000 1.321 316 L HN 0.276 nan 8.230 nan 0.000 0.555 317 R N 1.304 121.845 120.500 0.068 0.000 2.261 317 R HA -0.297 4.057 4.340 0.023 0.000 0.252 317 R C 2.201 178.528 176.300 0.045 0.000 1.116 317 R CA 2.618 58.766 56.100 0.079 0.000 0.942 317 R CB -1.127 29.250 30.300 0.128 0.000 0.932 317 R HN 0.623 nan 8.270 nan 0.000 0.441 318 H N 0.370 119.454 119.070 0.024 0.000 2.518 318 H HA -0.053 4.517 4.556 0.023 0.000 0.292 318 H C 2.072 177.415 175.328 0.025 0.000 1.068 318 H CA 0.795 56.856 56.048 0.021 0.000 1.275 318 H CB -0.452 29.322 29.762 0.019 0.000 1.375 318 H HN 0.154 nan 8.280 nan 0.000 0.563 319 L N 1.326 122.260 121.223 -0.482 0.000 1.956 319 L HA -0.069 4.285 4.340 0.023 0.000 0.216 319 L C 1.112 177.924 176.870 -0.097 0.000 1.073 319 L CA 2.356 57.020 54.840 -0.294 0.000 0.762 319 L CB -1.378 40.534 42.059 -0.245 0.000 0.889 319 L HN 0.719 nan 8.230 nan 0.000 0.433 320 G N -0.867 107.902 108.800 -0.053 0.000 2.879 320 G HA2 -0.172 3.802 3.960 0.023 0.000 0.686 320 G HA3 -0.172 3.802 3.960 0.023 0.000 0.686 320 G C 0.689 175.577 174.900 -0.019 0.000 1.115 320 G CA 0.036 45.120 45.100 -0.026 0.000 0.770 320 G HN 0.319 nan 8.290 nan 0.000 0.601 321 E N 1.691 121.846 120.200 -0.075 0.000 2.181 321 E HA -0.314 4.050 4.350 0.023 0.000 0.225 321 E C 2.336 178.848 176.600 -0.148 0.000 1.073 321 E CA 2.148 58.401 56.400 -0.245 0.000 0.916 321 E CB -0.277 29.246 29.700 -0.294 0.000 0.793 321 E HN 0.603 nan 8.360 nan 0.000 0.472 322 K N 0.744 121.102 120.400 -0.070 0.000 2.032 322 K HA -0.144 4.190 4.320 0.023 0.000 0.209 322 K C 2.130 178.757 176.600 0.045 0.000 1.048 322 K CA 1.867 58.146 56.287 -0.012 0.000 0.927 322 K CB -0.296 32.199 32.500 -0.009 0.000 0.712 322 K HN 0.185 nan 8.250 nan 0.000 0.441 323 K N 0.074 120.502 120.400 0.047 0.000 2.137 323 K HA 0.017 4.351 4.320 0.023 0.000 0.202 323 K C 1.917 178.571 176.600 0.089 0.000 1.052 323 K CA 0.688 57.010 56.287 0.058 0.000 0.961 323 K CB 0.032 32.550 32.500 0.031 0.000 0.741 323 K HN 0.023 nan 8.250 nan 0.000 0.452 324 L N 0.373 121.677 121.223 0.134 0.000 2.109 324 L HA -0.116 4.238 4.340 0.023 0.000 0.207 324 L C 1.680 178.650 176.870 0.168 0.000 1.086 324 L CA 1.044 55.980 54.840 0.160 0.000 0.760 324 L CB -0.291 41.890 42.059 0.204 0.000 0.910 324 L HN 0.288 nan 8.230 nan 0.000 0.437 325 H N -1.744 117.339 119.070 0.021 0.000 2.553 325 H HA 0.004 4.574 4.556 0.023 0.000 0.265 325 H C 1.755 177.108 175.328 0.041 0.000 0.964 325 H CA 0.356 56.422 56.048 0.030 0.000 1.156 325 H CB 0.310 30.085 29.762 0.022 0.000 1.411 325 H HN 0.338 nan 8.280 nan 0.000 0.558 326 E N 0.296 120.589 120.200 0.154 0.000 2.340 326 E HA 0.054 4.418 4.350 0.023 0.000 0.198 326 E C 1.308 177.969 176.600 0.102 0.000 0.961 326 E CA 0.162 56.632 56.400 0.116 0.000 0.905 326 E CB 0.479 30.239 29.700 0.100 0.000 0.884 326 E HN 0.211 nan 8.360 nan 0.000 0.491 327 R N -0.639 119.913 120.500 0.087 0.000 2.369 327 R HA 0.318 4.672 4.340 0.023 0.000 0.210 327 R C 0.622 176.964 176.300 0.071 0.000 0.881 327 R CA 0.177 56.321 56.100 0.073 0.000 1.031 327 R CB 0.886 31.220 30.300 0.056 0.000 1.184 327 R HN 0.032 nan 8.270 nan 0.000 0.581 328 L N 0.890 122.148 121.223 0.059 0.000 3.193 328 L HA 0.374 4.728 4.340 0.023 0.000 0.305 328 L C -1.918 174.953 176.870 0.002 0.000 1.299 328 L CA -1.025 53.844 54.840 0.049 0.000 0.904 328 L CB 1.232 43.311 42.059 0.033 0.000 1.331 328 L HN -0.121 nan 8.230 nan 0.000 0.588 329 P HA -0.205 nan 4.420 nan 0.000 0.220 329 P C 1.443 178.749 177.300 0.009 0.000 1.148 329 P CA 1.208 64.274 63.100 -0.055 0.000 0.803 329 P CB 0.262 31.967 31.700 0.008 0.000 0.782 330 F N 0.990 120.898 119.950 -0.071 0.000 2.149 330 F HA -0.073 4.468 4.527 0.023 0.000 0.294 330 F C 2.168 177.942 175.800 -0.043 0.000 1.095 330 F CA 0.894 58.862 58.000 -0.054 0.000 1.276 330 F CB -0.726 38.247 39.000 -0.046 0.000 1.023 330 F HN -0.326 nan 8.300 nan 0.000 0.480 331 I N 0.074 120.654 120.570 0.017 0.000 2.194 331 I HA -0.359 3.825 4.170 0.023 0.000 0.246 331 I C 2.692 178.739 176.117 -0.117 0.000 1.093 331 I CA 1.091 62.355 61.300 -0.060 0.000 1.355 331 I CB -2.056 35.953 38.000 0.015 0.000 1.046 331 I HN 0.278 nan 8.210 nan 0.000 0.413 332 C N 0.247 119.474 119.300 -0.123 0.000 2.440 332 C HA -0.104 4.370 4.460 0.023 0.000 0.278 332 C C 2.625 177.543 174.990 -0.120 0.000 1.295 332 C CA 0.441 59.383 59.018 -0.127 0.000 1.738 332 C CB -0.875 26.741 27.740 -0.207 0.000 1.987 332 C HN 0.503 nan 8.230 nan 0.000 0.492 333 E N 0.190 120.297 120.200 -0.154 0.000 2.358 333 E HA -0.023 4.341 4.350 0.023 0.000 0.195 333 E C 1.801 178.339 176.600 -0.104 0.000 1.010 333 E CA 0.652 56.977 56.400 -0.126 0.000 0.856 333 E CB 0.024 29.651 29.700 -0.122 0.000 0.795 333 E HN 0.654 nan 8.360 nan 0.000 0.504 334 L N -0.203 120.923 121.223 -0.161 0.000 2.354 334 L HA 0.101 4.455 4.340 0.023 0.000 0.212 334 L C 2.350 179.294 176.870 0.123 0.000 1.091 334 L CA 0.361 55.194 54.840 -0.011 0.000 0.828 334 L CB -0.072 41.797 42.059 -0.317 0.000 0.973 334 L HN 0.082 nan 8.230 nan 0.000 0.461 335 A N 0.547 123.369 122.820 0.004 0.000 1.855 335 A HA -0.131 4.203 4.320 0.023 0.000 0.213 335 A C 2.282 179.888 177.584 0.037 0.000 1.195 335 A CA 1.155 53.209 52.037 0.028 0.000 0.610 335 A CB -0.206 18.791 19.000 -0.006 0.000 0.837 335 A HN 0.220 nan 8.150 nan 0.000 0.444 336 K N -0.005 120.396 120.400 0.002 0.000 2.097 336 K HA -0.076 4.258 4.320 0.023 0.000 0.206 336 K C 2.271 178.852 176.600 -0.031 0.000 1.049 336 K CA 1.098 57.378 56.287 -0.012 0.000 0.933 336 K CB -0.308 32.176 32.500 -0.026 0.000 0.717 336 K HN 0.444 nan 8.250 nan 0.000 0.442 337 A N 0.908 123.703 122.820 -0.042 0.000 1.832 337 A HA -0.132 4.201 4.320 0.023 0.000 0.214 337 A C 1.713 179.143 177.584 -0.257 0.000 1.200 337 A CA 1.215 53.141 52.037 -0.185 0.000 0.610 337 A CB -0.793 18.051 19.000 -0.260 0.000 0.842 337 A HN 0.288 nan 8.150 nan 0.000 0.444 338 Y N -0.675 119.606 120.300 -0.032 0.000 2.511 338 Y HA 0.191 4.755 4.550 0.023 0.000 0.279 338 Y C 1.607 177.506 175.900 -0.001 0.000 1.157 338 Y CA 0.742 58.835 58.100 -0.012 0.000 1.300 338 Y CB 0.267 38.722 38.460 -0.008 0.000 1.052 338 Y HN 0.261 nan 8.280 nan 0.000 0.529 339 V N -5.245 114.736 119.914 0.111 0.000 3.372 339 V HA 0.567 4.701 4.120 0.023 0.000 0.304 339 V C 1.174 177.291 176.094 0.037 0.000 1.530 339 V CA 0.052 62.397 62.300 0.075 0.000 1.080 339 V CB 0.271 32.141 31.823 0.079 0.000 0.929 339 V HN 0.219 nan 8.190 nan 0.000 0.455 340 G N 0.912 109.722 108.800 0.017 0.000 2.249 340 G HA2 -0.174 3.800 3.960 0.023 0.000 0.273 340 G HA3 -0.174 3.800 3.960 0.023 0.000 0.273 340 G C -0.081 174.826 174.900 0.012 0.000 1.036 340 G CA 0.515 45.618 45.100 0.005 0.000 0.824 340 G HN 1.186 nan 8.290 nan 0.000 0.504 341 V N 0.497 120.421 119.914 0.017 0.000 2.443 341 V HA 0.383 4.517 4.120 0.023 0.000 0.293 341 V C -0.359 175.743 176.094 0.013 0.000 1.021 341 V CA -1.151 61.160 62.300 0.019 0.000 0.848 341 V CB 1.910 33.749 31.823 0.027 0.000 0.998 341 V HN 0.339 nan 8.190 nan 0.000 0.424 342 D N 6.797 127.205 120.400 0.014 0.000 2.316 342 D HA 0.279 4.933 4.640 0.023 0.000 0.245 342 D C -1.786 174.526 176.300 0.019 0.000 1.171 342 D CA -1.833 52.176 54.000 0.014 0.000 0.856 342 D CB 2.419 43.232 40.800 0.022 0.000 1.090 342 D HN 0.211 nan 8.370 nan 0.000 0.476 343 P HA -0.096 nan 4.420 nan 0.000 0.234 343 P C 0.924 178.240 177.300 0.028 0.000 1.162 343 P CA 0.576 63.682 63.100 0.011 0.000 0.759 343 P CB 0.457 32.149 31.700 -0.014 0.000 0.813 344 V N -1.321 118.621 119.914 0.047 0.000 3.621 344 V HA 0.106 4.240 4.120 0.023 0.000 0.263 344 V C 1.993 178.111 176.094 0.040 0.000 1.272 344 V CA 0.806 63.137 62.300 0.052 0.000 1.080 344 V CB -0.195 31.682 31.823 0.089 0.000 0.816 344 V HN 0.119 nan 8.190 nan 0.000 0.451 345 K N -0.313 120.110 120.400 0.037 0.000 2.399 345 K HA 0.201 4.535 4.320 0.023 0.000 0.196 345 K C 0.316 176.937 176.600 0.035 0.000 1.117 345 K CA 0.421 56.728 56.287 0.034 0.000 0.965 345 K CB 0.897 33.414 32.500 0.029 0.000 0.983 345 K HN 0.274 nan 8.250 nan 0.000 0.531 346 E N 0.761 120.982 120.200 0.034 0.000 2.416 346 E HA 0.398 4.762 4.350 0.023 0.000 0.273 346 E C -2.807 173.816 176.600 0.038 0.000 0.935 346 E CA -2.413 54.008 56.400 0.035 0.000 0.784 346 E CB 2.011 31.729 29.700 0.028 0.000 1.301 346 E HN -0.062 nan 8.360 nan 0.000 0.454 347 P HA 0.325 nan 4.420 nan 0.000 0.280 347 P C -0.380 176.943 177.300 0.039 0.000 1.244 347 P CA -0.144 62.982 63.100 0.045 0.000 0.784 347 P CB 0.496 32.225 31.700 0.047 0.000 0.913 348 I N 5.400 125.992 120.570 0.038 0.000 2.301 348 I HA 0.191 4.375 4.170 0.023 0.000 0.292 348 I C -1.787 174.355 176.117 0.042 0.000 1.046 348 I CA -2.302 59.019 61.300 0.036 0.000 1.282 348 I CB 0.743 38.760 38.000 0.027 0.000 1.409 348 I HN 0.137 nan 8.210 nan 0.000 0.484 349 P HA 0.083 nan 4.420 nan 0.000 0.265 349 P C -0.651 176.686 177.300 0.062 0.000 1.222 349 P CA 0.181 63.315 63.100 0.055 0.000 0.767 349 P CB 0.806 32.538 31.700 0.053 0.000 0.801 350 V N 1.169 121.126 119.914 0.072 0.000 3.114 350 V HA 0.881 5.015 4.120 0.023 0.000 0.308 350 V C -0.811 175.357 176.094 0.123 0.000 1.168 350 V CA -1.102 61.245 62.300 0.078 0.000 1.015 350 V CB 2.683 34.538 31.823 0.052 0.000 1.050 350 V HN 0.306 nan 8.190 nan 0.000 0.433 351 R N 1.976 122.566 120.500 0.149 0.000 2.560 351 R HA 0.617 4.971 4.340 0.023 0.000 0.267 351 R C -3.179 173.269 176.300 0.247 0.000 1.150 351 R CA -1.775 54.498 56.100 0.288 0.000 0.997 351 R CB 2.083 32.687 30.300 0.506 0.000 1.250 351 R HN 0.769 nan 8.270 nan 0.000 0.433 352 P HA -0.106 nan 4.420 nan 0.000 0.260 352 P C -0.459 177.009 177.300 0.279 0.000 1.147 352 P CA 0.520 63.760 63.100 0.233 0.000 0.758 352 P CB 0.559 32.385 31.700 0.209 0.000 0.744 353 T N 1.285 115.942 114.554 0.172 0.000 2.907 353 T HA 0.607 4.971 4.350 0.023 0.000 0.292 353 T C -0.503 174.074 174.700 -0.203 0.000 1.043 353 T CA -0.594 61.540 62.100 0.058 0.000 1.003 353 T CB 1.070 70.005 68.868 0.112 0.000 1.084 353 T HN 0.421 nan 8.240 nan 0.000 0.483 354 A N 2.124 124.621 122.820 -0.538 0.000 2.498 354 A HA 0.438 4.771 4.320 0.023 0.000 0.239 354 A C 0.366 177.814 177.584 -0.226 0.000 1.068 354 A CA 0.517 52.072 52.037 -0.804 0.000 0.766 354 A CB -0.114 18.179 19.000 -1.179 0.000 1.003 354 A HN 1.138 nan 8.150 nan 0.000 0.497 355 H N 0.524 119.448 119.070 -0.243 0.000 1.920 355 H HA 0.256 4.827 4.556 0.024 0.000 0.186 355 H C -0.971 174.410 175.328 0.088 0.000 0.924 355 H CA 0.560 56.604 56.048 -0.007 0.000 1.039 355 H CB 0.160 29.998 29.762 0.127 0.000 1.126 355 H HN 0.625 nan 8.280 nan 0.000 0.379 356 Y N 1.761 121.879 120.300 -0.303 0.000 2.364 356 Y HA 0.505 5.069 4.550 0.023 0.000 0.340 356 Y C -0.948 174.855 175.900 -0.161 0.000 0.975 356 Y CA -1.084 56.817 58.100 -0.331 0.000 1.089 356 Y CB 1.843 40.084 38.460 -0.365 0.000 1.192 356 Y HN 0.150 nan 8.280 nan 0.000 0.454 357 T N 7.873 121.975 114.554 -0.754 0.000 2.832 357 T HA 0.179 4.543 4.350 0.023 0.000 0.313 357 T C 1.424 175.606 174.700 -0.862 0.000 1.035 357 T CA -0.574 61.180 62.100 -0.578 0.000 0.950 357 T CB 0.247 68.930 68.868 -0.309 0.000 0.984 357 T HN 0.715 nan 8.240 nan 0.000 0.486 358 M N 1.751 120.988 119.600 -0.605 0.000 2.123 358 M HA 0.150 4.643 4.480 0.023 0.000 0.263 358 M C 1.473 177.671 176.300 -0.170 0.000 1.069 358 M CA 0.742 55.815 55.300 -0.378 0.000 1.133 358 M CB -1.323 31.213 32.600 -0.107 0.000 1.356 358 M HN 0.517 nan 8.290 nan 0.000 0.415 359 G N 0.279 109.028 108.800 -0.084 0.000 2.544 359 G HA2 0.451 4.425 3.960 0.023 0.000 0.242 359 G HA3 0.451 4.425 3.960 0.023 0.000 0.242 359 G C -0.027 174.821 174.900 -0.088 0.000 1.247 359 G CA 0.191 45.267 45.100 -0.039 0.000 0.840 359 G HN 0.606 nan 8.290 nan 0.000 0.578 360 G N -0.288 108.460 108.800 -0.087 0.000 2.677 360 G HA2 0.431 4.405 3.960 0.023 0.000 0.283 360 G HA3 0.431 4.405 3.960 0.023 0.000 0.283 360 G C -0.591 174.242 174.900 -0.111 0.000 1.221 360 G CA -1.038 44.002 45.100 -0.099 0.000 0.851 360 G HN 0.708 nan 8.290 nan 0.000 0.504 361 I N 1.693 122.195 120.570 -0.114 0.000 2.648 361 I HA 0.100 4.284 4.170 0.023 0.000 0.284 361 I C 0.884 176.916 176.117 -0.142 0.000 1.153 361 I CA 0.073 61.295 61.300 -0.130 0.000 1.426 361 I CB 1.001 38.932 38.000 -0.114 0.000 1.381 361 I HN 0.469 nan 8.210 nan 0.000 0.571 362 E N 5.955 126.056 120.200 -0.165 0.000 2.376 362 E HA 0.098 4.462 4.350 0.023 0.000 0.266 362 E C -0.665 175.847 176.600 -0.146 0.000 1.009 362 E CA -0.133 56.168 56.400 -0.165 0.000 0.902 362 E CB 0.779 30.377 29.700 -0.170 0.000 0.972 362 E HN 0.706 nan 8.360 nan 0.000 0.439 363 T N 1.422 115.892 114.554 -0.140 0.000 2.906 363 T HA 0.305 4.669 4.350 0.023 0.000 0.295 363 T C -0.281 174.360 174.700 -0.097 0.000 1.061 363 T CA -1.074 60.958 62.100 -0.113 0.000 1.000 363 T CB 1.614 70.429 68.868 -0.088 0.000 1.103 363 T HN 0.480 nan 8.240 nan 0.000 0.486 364 D N 1.406 121.760 120.400 -0.077 0.000 2.478 364 D HA 0.178 4.832 4.640 0.023 0.000 0.274 364 D C 0.974 177.256 176.300 -0.029 0.000 1.234 364 D CA -0.560 53.407 54.000 -0.056 0.000 1.069 364 D CB 0.316 41.083 40.800 -0.056 0.000 1.113 364 D HN 0.475 nan 8.370 nan 0.000 0.571 365 Q N -1.042 118.741 119.800 -0.029 0.000 2.439 365 Q HA -0.019 4.335 4.340 0.023 0.000 0.211 365 Q C 0.469 176.434 176.000 -0.059 0.000 0.978 365 Q CA 1.107 56.886 55.803 -0.041 0.000 0.897 365 Q CB -0.491 28.204 28.738 -0.071 0.000 0.956 365 Q HN 0.475 nan 8.270 nan 0.000 0.483 366 N N -1.666 117.033 118.700 -0.002 0.000 2.273 366 N HA 0.171 4.925 4.740 0.023 0.000 0.231 366 N C -0.699 174.932 175.510 0.202 0.000 1.134 366 N CA -0.070 53.012 53.050 0.054 0.000 0.856 366 N CB 0.630 39.166 38.487 0.083 0.000 1.068 366 N HN 0.079 nan 8.380 nan 0.000 0.510 367 C N 0.670 120.065 119.300 0.158 0.000 4.400 367 C HA -0.190 4.284 4.460 0.023 0.000 0.275 367 C C 0.788 175.901 174.990 0.204 0.000 1.391 367 C CA 0.519 59.654 59.018 0.196 0.000 1.816 367 C CB -2.451 25.448 27.740 0.265 0.000 1.404 367 C HN 0.607 nan 8.230 nan 0.000 0.754 368 E N 0.787 121.011 120.200 0.041 0.000 2.283 368 E HA 0.520 4.884 4.350 0.023 0.000 0.271 368 E C 0.795 177.224 176.600 -0.284 0.000 1.031 368 E CA 0.408 56.578 56.400 -0.384 0.000 0.868 368 E CB 1.160 30.516 29.700 -0.573 0.000 1.094 368 E HN 0.568 nan 8.360 nan 0.000 0.401 369 T N 0.458 114.799 114.554 -0.355 0.000 2.910 369 T HA 0.329 4.693 4.350 0.023 0.000 0.279 369 T C 0.964 175.533 174.700 -0.219 0.000 0.989 369 T CA -0.713 61.245 62.100 -0.236 0.000 0.968 369 T CB 0.921 69.664 68.868 -0.209 0.000 1.135 369 T HN 0.520 nan 8.240 nan 0.000 0.562 370 R N -0.382 120.025 120.500 -0.154 0.000 2.357 370 R HA 0.186 4.540 4.340 0.023 0.000 0.202 370 R C 0.043 176.269 176.300 -0.124 0.000 1.047 370 R CA 0.527 56.561 56.100 -0.111 0.000 1.034 370 R CB -0.585 29.680 30.300 -0.057 0.000 0.875 370 R HN 0.562 nan 8.270 nan 0.000 0.473 371 I N 2.251 122.712 120.570 -0.182 0.000 2.354 371 I HA 0.125 4.309 4.170 0.023 0.000 0.286 371 I C -0.164 175.760 176.117 -0.321 0.000 1.007 371 I CA -0.988 60.187 61.300 -0.209 0.000 1.167 371 I CB 1.376 39.252 38.000 -0.207 0.000 1.320 371 I HN -0.252 nan 8.210 nan 0.000 0.458 372 K N 4.794 125.010 120.400 -0.306 0.000 2.466 372 K HA 0.096 4.430 4.320 0.023 0.000 0.278 372 K C 1.040 177.231 176.600 -0.681 0.000 1.048 372 K CA 0.582 56.633 56.287 -0.394 0.000 1.088 372 K CB 0.002 32.431 32.500 -0.117 0.000 0.884 372 K HN 1.008 nan 8.250 nan 0.000 0.478 373 G N 1.510 110.007 108.800 -0.504 0.000 2.175 373 G HA2 -0.250 3.724 3.960 0.023 0.000 0.244 373 G HA3 -0.250 3.724 3.960 0.023 0.000 0.244 373 G C -0.442 174.339 174.900 -0.197 0.000 0.982 373 G CA -0.075 44.867 45.100 -0.263 0.000 0.641 373 G HN 0.446 nan 8.290 nan 0.000 0.527 374 L N 1.504 122.456 121.223 -0.451 0.000 2.318 374 L HA 0.836 5.190 4.340 0.023 0.000 0.277 374 L C -0.866 175.779 176.870 -0.376 0.000 1.008 374 L CA -1.739 52.937 54.840 -0.273 0.000 0.846 374 L CB 0.278 42.185 42.059 -0.253 0.000 1.220 374 L HN 0.023 nan 8.230 nan 0.000 0.423 375 F N 3.573 123.469 119.950 -0.090 0.000 2.480 375 F HA 0.799 5.337 4.527 0.018 0.000 0.329 375 F C 0.491 176.252 175.800 -0.066 0.000 1.091 375 F CA -0.725 57.233 58.000 -0.069 0.000 0.972 375 F CB 1.867 40.838 39.000 -0.049 0.000 1.150 375 F HN 0.534 nan 8.300 nan 0.000 0.467 376 A N 2.726 125.606 122.820 0.101 0.000 2.311 376 A HA 0.724 5.058 4.320 0.023 0.000 0.306 376 A C -1.398 176.209 177.584 0.037 0.000 1.189 376 A CA -0.759 51.296 52.037 0.030 0.000 0.791 376 A CB 1.176 20.154 19.000 -0.035 0.000 1.172 376 A HN 0.690 nan 8.150 nan 0.000 0.481 377 V N 2.830 122.770 119.914 0.044 0.000 2.914 377 V HA 0.930 5.064 4.120 0.023 0.000 0.314 377 V C 0.481 176.598 176.094 0.039 0.000 1.084 377 V CA 1.079 63.411 62.300 0.054 0.000 0.963 377 V CB 1.677 33.559 31.823 0.098 0.000 1.025 377 V HN 2.582 nan 8.190 nan 0.000 0.432 378 G N 4.161 112.988 108.800 0.044 0.000 2.447 378 G HA2 -0.167 3.807 3.960 0.023 0.000 0.220 378 G HA3 -0.167 3.807 3.960 0.023 0.000 0.220 378 G C 0.402 175.338 174.900 0.060 0.000 1.261 378 G CA 0.430 45.570 45.100 0.067 0.000 1.000 378 G HN 1.150 nan 8.290 nan 0.000 0.515 379 E N -0.641 119.615 120.200 0.094 0.000 2.285 379 E HA -0.074 4.290 4.350 0.023 0.000 0.194 379 E C 2.534 179.115 176.600 -0.032 0.000 0.997 379 E CA 1.861 58.318 56.400 0.094 0.000 0.845 379 E CB -0.362 29.444 29.700 0.177 0.000 0.782 379 E HN 0.996 nan 8.360 nan 0.000 0.491 380 C N 0.837 120.119 119.300 -0.030 0.000 2.449 380 C HA 0.101 4.575 4.460 0.023 0.000 0.283 380 C C 1.555 176.500 174.990 -0.074 0.000 1.453 380 C CA 0.001 58.981 59.018 -0.063 0.000 1.779 380 C CB -1.406 26.299 27.740 -0.057 0.000 1.779 380 C HN 0.317 nan 8.230 nan 0.000 0.546 381 S N 0.140 115.800 115.700 -0.066 0.000 2.768 381 S HA 0.632 5.116 4.470 0.023 0.000 0.300 381 S C -0.251 174.283 174.600 -0.110 0.000 1.122 381 S CA 0.097 58.244 58.200 -0.088 0.000 0.995 381 S CB 1.260 64.411 63.200 -0.082 0.000 1.195 381 S HN 0.648 nan 8.310 nan 0.000 0.547 382 S N 0.338 115.954 115.700 -0.140 0.000 2.381 382 S HA 0.266 4.750 4.470 0.023 0.000 0.193 382 S C 0.294 174.768 174.600 -0.210 0.000 1.287 382 S CA -0.335 57.766 58.200 -0.165 0.000 1.199 382 S CB -0.073 63.037 63.200 -0.149 0.000 1.214 382 S HN 1.179 nan 8.310 nan 0.000 0.444 383 V N 1.576 121.319 119.914 -0.285 0.000 3.217 383 V HA 0.397 4.531 4.120 0.023 0.000 0.264 383 V C 1.621 177.565 176.094 -0.250 0.000 1.135 383 V CA 0.969 63.084 62.300 -0.307 0.000 1.142 383 V CB -1.129 30.336 31.823 -0.597 0.000 0.754 383 V HN 1.493 nan 8.190 nan 0.000 0.484 384 G N 0.200 108.849 108.800 -0.252 0.000 2.130 384 G HA2 -0.232 3.742 3.960 0.023 0.000 0.216 384 G HA3 -0.232 3.742 3.960 0.023 0.000 0.216 384 G C 0.238 175.021 174.900 -0.196 0.000 0.999 384 G CA 0.379 45.379 45.100 -0.168 0.000 0.686 384 G HN 0.584 nan 8.290 nan 0.000 0.515 385 L N -0.128 120.869 121.223 -0.375 0.000 2.102 385 L HA 0.297 4.651 4.340 0.023 0.000 0.202 385 L C 2.351 178.908 176.870 -0.522 0.000 1.076 385 L CA 2.320 56.844 54.840 -0.528 0.000 0.761 385 L CB -0.362 41.160 42.059 -0.896 0.000 0.921 385 L HN 0.359 nan 8.230 nan 0.000 0.444 386 H N -0.411 118.538 119.070 -0.201 0.000 2.544 386 H HA 0.302 4.872 4.556 0.023 0.000 0.269 386 H C 1.533 176.752 175.328 -0.182 0.000 0.970 386 H CA 0.609 56.558 56.048 -0.166 0.000 1.219 386 H CB -0.216 29.505 29.762 -0.069 0.000 1.421 386 H HN 0.460 nan 8.280 nan 0.000 0.555 387 G N 1.051 109.790 108.800 -0.101 0.000 2.561 387 G HA2 -0.376 3.598 3.960 0.023 0.000 0.289 387 G HA3 -0.376 3.598 3.960 0.023 0.000 0.289 387 G C 1.073 175.718 174.900 -0.424 0.000 1.169 387 G CA 1.128 46.114 45.100 -0.190 0.000 0.980 387 G HN 0.599 nan 8.290 nan 0.000 0.550 388 A N 0.130 122.676 122.820 -0.458 0.000 2.337 388 A HA 0.557 4.891 4.320 0.023 0.000 0.227 388 A C 0.736 178.215 177.584 -0.175 0.000 1.259 388 A CA 1.276 52.913 52.037 -0.666 0.000 0.870 388 A CB -0.205 18.626 19.000 -0.282 0.000 0.927 388 A HN 1.277 nan 8.150 nan 0.000 0.497 389 N N -0.215 118.423 118.700 -0.104 0.000 4.296 389 N HA 0.026 4.780 4.740 0.023 0.000 0.183 389 N C -1.271 174.241 175.510 0.004 0.000 1.159 389 N CA -0.314 52.735 53.050 -0.003 0.000 0.980 389 N CB 0.870 39.364 38.487 0.012 0.000 1.621 389 N HN 0.428 nan 8.380 nan 0.000 0.861 390 R N 2.421 122.928 120.500 0.012 0.000 2.537 390 R HA 0.216 4.570 4.340 0.023 0.000 0.280 390 R C -0.459 175.815 176.300 -0.043 0.000 1.058 390 R CA -0.280 55.774 56.100 -0.076 0.000 1.057 390 R CB 0.538 30.602 30.300 -0.392 0.000 0.973 390 R HN 0.415 nan 8.270 nan 0.000 0.438 391 L N 4.058 125.283 121.223 0.004 0.000 2.305 391 L HA 0.298 4.652 4.340 0.023 0.000 0.281 391 L C 0.371 177.284 176.870 0.072 0.000 1.085 391 L CA 0.432 55.291 54.840 0.032 0.000 0.813 391 L CB 1.254 43.350 42.059 0.062 0.000 1.157 391 L HN 0.805 nan 8.230 nan 0.000 0.436 392 G N 3.137 111.993 108.800 0.093 0.000 2.224 392 G HA2 0.288 4.262 3.960 0.023 0.000 0.239 392 G HA3 0.288 4.262 3.960 0.023 0.000 0.239 392 G C 0.753 175.895 174.900 0.403 0.000 1.240 392 G CA 0.501 45.770 45.100 0.282 0.000 0.896 392 G HN 1.775 nan 8.290 nan 0.000 0.496 393 S N 0.523 116.433 115.700 0.350 0.000 2.929 393 S HA -0.269 4.215 4.470 0.023 0.000 0.271 393 S C 1.247 175.984 174.600 0.228 0.000 1.295 393 S CA 1.361 59.699 58.200 0.229 0.000 1.277 393 S CB -1.773 61.586 63.200 0.264 0.000 1.557 393 S HN 0.681 nan 8.310 nan 0.000 0.666 394 N N 1.293 120.121 118.700 0.213 0.000 2.415 394 N HA 0.211 4.965 4.740 0.023 0.000 0.176 394 N C 1.649 177.283 175.510 0.208 0.000 1.042 394 N CA 1.147 54.364 53.050 0.280 0.000 0.902 394 N CB -0.096 38.527 38.487 0.227 0.000 0.986 394 N HN 0.633 nan 8.380 nan 0.000 0.447 395 S N 0.375 116.106 115.700 0.051 0.000 2.351 395 S HA -0.062 4.422 4.470 0.023 0.000 0.220 395 S C 1.837 176.501 174.600 0.107 0.000 1.035 395 S CA 1.025 59.212 58.200 -0.022 0.000 1.031 395 S CB -0.393 62.614 63.200 -0.321 0.000 0.928 395 S HN 0.269 nan 8.310 nan 0.000 0.433 396 L N 1.365 122.655 121.223 0.112 0.000 2.012 396 L HA -0.112 4.242 4.340 0.023 0.000 0.210 396 L C 3.070 180.074 176.870 0.223 0.000 1.073 396 L CA 1.367 56.301 54.840 0.157 0.000 0.748 396 L CB -0.991 41.163 42.059 0.159 0.000 0.891 396 L HN 0.461 nan 8.230 nan 0.000 0.431 397 A N -0.127 122.857 122.820 0.273 0.000 1.873 397 A HA -0.310 4.024 4.320 0.023 0.000 0.218 397 A C 2.303 180.185 177.584 0.496 0.000 1.193 397 A CA 2.159 54.403 52.037 0.345 0.000 0.629 397 A CB -0.738 18.543 19.000 0.469 0.000 0.826 397 A HN 0.512 nan 8.150 nan 0.000 0.447 398 E N -0.053 120.472 120.200 0.541 0.000 2.065 398 E HA -0.241 4.123 4.350 0.023 0.000 0.201 398 E C 1.998 178.868 176.600 0.449 0.000 1.016 398 E CA 1.656 58.363 56.400 0.511 0.000 0.818 398 E CB -0.323 29.455 29.700 0.130 0.000 0.749 398 E HN 0.634 nan 8.360 nan 0.000 0.453 399 L N 0.349 121.744 121.223 0.286 0.000 1.965 399 L HA -0.291 4.063 4.340 0.023 0.000 0.226 399 L C 2.727 179.734 176.870 0.228 0.000 1.083 399 L CA 1.808 56.784 54.840 0.225 0.000 0.790 399 L CB -1.022 41.140 42.059 0.172 0.000 0.898 399 L HN 0.140 nan 8.230 nan 0.000 0.439 400 V N -0.636 119.403 119.914 0.208 0.000 2.392 400 V HA -0.229 3.905 4.120 0.023 0.000 0.249 400 V C 2.377 178.550 176.094 0.132 0.000 1.059 400 V CA 1.520 63.920 62.300 0.166 0.000 1.051 400 V CB -0.479 31.430 31.823 0.144 0.000 0.658 400 V HN 0.249 nan 8.190 nan 0.000 0.455 401 V N -0.920 119.102 119.914 0.180 0.000 2.255 401 V HA -0.163 3.971 4.120 0.023 0.000 0.243 401 V C 2.123 178.202 176.094 -0.025 0.000 1.038 401 V CA 2.068 64.407 62.300 0.064 0.000 1.008 401 V CB -0.713 31.204 31.823 0.157 0.000 0.645 401 V HN 0.446 nan 8.190 nan 0.000 0.449 402 F N 1.273 121.323 119.950 0.167 0.000 2.512 402 F HA 0.202 4.742 4.527 0.022 0.000 0.296 402 F C 2.333 178.170 175.800 0.062 0.000 1.110 402 F CA 0.813 58.889 58.000 0.127 0.000 1.446 402 F CB -1.162 37.904 39.000 0.109 0.000 1.092 402 F HN 0.158 nan 8.300 nan 0.000 0.554 403 G N 0.302 109.235 108.800 0.222 0.000 2.514 403 G HA2 -0.306 3.668 3.960 0.023 0.000 0.217 403 G HA3 -0.306 3.668 3.960 0.023 0.000 0.217 403 G C 1.909 176.841 174.900 0.054 0.000 1.198 403 G CA 0.870 46.045 45.100 0.124 0.000 0.780 403 G HN 0.192 nan 8.290 nan 0.000 0.565 404 R N -0.248 120.276 120.500 0.040 0.000 2.112 404 R HA -0.128 4.226 4.340 0.023 0.000 0.242 404 R C 2.583 178.855 176.300 -0.047 0.000 1.137 404 R CA 1.909 58.005 56.100 -0.006 0.000 0.944 404 R CB -0.599 29.686 30.300 -0.026 0.000 0.857 404 R HN 0.380 nan 8.270 nan 0.000 0.435 405 L N 0.736 121.926 121.223 -0.056 0.000 2.046 405 L HA -0.090 4.264 4.340 0.023 0.000 0.208 405 L C 2.389 179.200 176.870 -0.097 0.000 1.077 405 L CA 2.129 56.923 54.840 -0.078 0.000 0.747 405 L CB -0.630 41.372 42.059 -0.095 0.000 0.896 405 L HN 0.273 nan 8.230 nan 0.000 0.432 406 A N -0.511 122.278 122.820 -0.050 0.000 1.883 406 A HA -0.147 4.187 4.320 0.023 0.000 0.217 406 A C 2.337 179.747 177.584 -0.290 0.000 1.186 406 A CA 1.824 53.783 52.037 -0.129 0.000 0.624 406 A CB -1.625 17.367 19.000 -0.012 0.000 0.822 406 A HN 0.531 nan 8.150 nan 0.000 0.444 407 G N -0.793 107.898 108.800 -0.182 0.000 2.402 407 G HA2 -0.200 3.774 3.960 0.023 0.000 0.216 407 G HA3 -0.200 3.774 3.960 0.023 0.000 0.216 407 G C 1.438 176.205 174.900 -0.221 0.000 1.162 407 G CA 1.071 46.051 45.100 -0.200 0.000 0.777 407 G HN 0.684 nan 8.290 nan 0.000 0.539 408 E N -0.104 119.995 120.200 -0.168 0.000 2.013 408 E HA -0.234 4.130 4.350 0.023 0.000 0.202 408 E C 2.496 178.994 176.600 -0.169 0.000 1.018 408 E CA 1.354 57.673 56.400 -0.134 0.000 0.834 408 E CB -0.161 29.483 29.700 -0.094 0.000 0.770 408 E HN 0.276 nan 8.360 nan 0.000 0.459 409 Q N -0.264 119.411 119.800 -0.209 0.000 2.234 409 Q HA -0.170 4.184 4.340 0.023 0.000 0.206 409 Q C 1.999 177.823 176.000 -0.294 0.000 0.980 409 Q CA 1.219 56.918 55.803 -0.172 0.000 0.869 409 Q CB -0.284 28.428 28.738 -0.044 0.000 0.912 409 Q HN 0.414 nan 8.270 nan 0.000 0.436 410 A N 0.474 122.899 122.820 -0.657 0.000 1.858 410 A HA -0.167 4.167 4.320 0.023 0.000 0.216 410 A C 2.333 179.819 177.584 -0.164 0.000 1.190 410 A CA 2.036 53.719 52.037 -0.590 0.000 0.617 410 A CB -0.918 17.713 19.000 -0.614 0.000 0.827 410 A HN 0.395 nan 8.150 nan 0.000 0.443 411 T N -0.194 114.274 114.554 -0.144 0.000 2.737 411 T HA -0.189 4.175 4.350 0.023 0.000 0.269 411 T C 1.814 176.503 174.700 -0.019 0.000 1.040 411 T CA 1.853 63.916 62.100 -0.063 0.000 1.142 411 T CB -0.259 68.572 68.868 -0.062 0.000 0.861 411 T HN 0.728 nan 8.240 nan 0.000 0.456 412 E N 1.411 121.601 120.200 -0.016 0.000 2.001 412 E HA -0.120 4.244 4.350 0.023 0.000 0.193 412 E C 2.295 178.928 176.600 0.055 0.000 0.994 412 E CA 1.185 57.596 56.400 0.019 0.000 0.815 412 E CB -0.265 29.447 29.700 0.021 0.000 0.770 412 E HN 0.119 nan 8.360 nan 0.000 0.453 413 R N 0.098 120.660 120.500 0.102 0.000 2.249 413 R HA -0.002 4.352 4.340 0.023 0.000 0.230 413 R C 1.928 178.311 176.300 0.139 0.000 1.121 413 R CA 1.276 57.467 56.100 0.153 0.000 0.997 413 R CB -0.760 29.703 30.300 0.271 0.000 0.867 413 R HN 0.353 nan 8.270 nan 0.000 0.465 414 A N -0.150 122.729 122.820 0.098 0.000 1.858 414 A HA -0.018 4.316 4.320 0.023 0.000 0.216 414 A C 2.027 179.647 177.584 0.060 0.000 1.190 414 A CA 1.560 53.644 52.037 0.079 0.000 0.617 414 A CB -0.792 18.230 19.000 0.037 0.000 0.827 414 A HN 0.361 nan 8.150 nan 0.000 0.443 415 A N -1.405 121.440 122.820 0.042 0.000 2.276 415 A HA 0.330 4.664 4.320 0.023 0.000 0.212 415 A C 1.381 178.982 177.584 0.029 0.000 1.230 415 A CA 1.224 53.279 52.037 0.029 0.000 0.844 415 A CB -0.482 18.530 19.000 0.020 0.000 0.860 415 A HN 0.355 nan 8.150 nan 0.000 0.486 416 T N -1.560 113.019 114.554 0.043 0.000 3.004 416 T HA 0.323 4.687 4.350 0.023 0.000 0.266 416 T C 2.013 176.729 174.700 0.026 0.000 0.986 416 T CA 0.490 62.611 62.100 0.035 0.000 0.902 416 T CB 0.344 69.240 68.868 0.046 0.000 1.118 416 T HN 0.468 nan 8.240 nan 0.000 0.522 417 A N 1.728 124.572 122.820 0.041 0.000 1.869 417 A HA 0.381 4.715 4.320 0.023 0.000 0.218 417 A C 1.605 179.113 177.584 -0.127 0.000 1.203 417 A CA 1.580 53.605 52.037 -0.019 0.000 0.638 417 A CB -1.274 17.750 19.000 0.040 0.000 0.831 417 A HN 1.138 nan 8.150 nan 0.000 0.450 418 G N -1.819 106.936 108.800 -0.074 0.000 2.733 418 G HA2 -0.111 3.863 3.960 0.023 0.000 0.686 418 G HA3 -0.111 3.863 3.960 0.023 0.000 0.686 418 G C -0.564 174.277 174.900 -0.098 0.000 1.373 418 G CA -0.221 44.833 45.100 -0.077 0.000 0.838 418 G HN 0.697 nan 8.290 nan 0.000 0.588 419 N N -0.020 118.640 118.700 -0.066 0.000 2.399 419 N HA 0.549 5.303 4.740 0.023 0.000 0.250 419 N C 0.758 176.226 175.510 -0.071 0.000 1.272 419 N CA 0.827 53.843 53.050 -0.057 0.000 0.928 419 N CB 1.260 39.728 38.487 -0.032 0.000 1.158 419 N HN 1.138 nan 8.380 nan 0.000 0.463 420 G N -0.349 108.421 108.800 -0.049 0.000 2.685 420 G HA2 0.093 4.066 3.960 0.023 0.000 0.298 420 G HA3 0.093 4.066 3.960 0.023 0.000 0.298 420 G C -0.421 174.469 174.900 -0.017 0.000 1.277 420 G CA -0.537 44.539 45.100 -0.040 0.000 0.986 420 G HN 0.532 nan 8.290 nan 0.000 0.487 421 N N 0.356 119.050 118.700 -0.010 0.000 2.406 421 N HA -0.034 4.720 4.740 0.023 0.000 0.269 421 N C 1.156 176.668 175.510 0.004 0.000 1.210 421 N CA -0.092 52.957 53.050 -0.002 0.000 0.966 421 N CB 1.326 39.813 38.487 0.001 0.000 1.293 421 N HN 0.624 nan 8.380 nan 0.000 0.491 422 E N 4.383 124.585 120.200 0.003 0.000 2.114 422 E HA -0.218 4.146 4.350 0.023 0.000 0.199 422 E C 1.551 178.157 176.600 0.011 0.000 1.008 422 E CA 2.020 58.425 56.400 0.007 0.000 0.810 422 E CB -0.229 29.475 29.700 0.006 0.000 0.739 422 E HN 0.676 nan 8.360 nan 0.000 0.456 423 A N 0.570 123.396 122.820 0.009 0.000 1.940 423 A HA -0.070 4.264 4.320 0.023 0.000 0.219 423 A C 2.452 180.044 177.584 0.014 0.000 1.176 423 A CA 2.228 54.272 52.037 0.011 0.000 0.631 423 A CB -1.032 17.973 19.000 0.009 0.000 0.814 423 A HN 0.429 nan 8.150 nan 0.000 0.446 424 A N 0.002 122.831 122.820 0.015 0.000 1.873 424 A HA -0.045 4.289 4.320 0.023 0.000 0.215 424 A C 2.118 179.717 177.584 0.025 0.000 1.186 424 A CA 1.431 53.480 52.037 0.020 0.000 0.616 424 A CB -0.589 18.423 19.000 0.020 0.000 0.823 424 A HN 0.500 nan 8.150 nan 0.000 0.442 425 I N -0.749 119.835 120.570 0.024 0.000 2.076 425 I HA -0.277 3.907 4.170 0.023 0.000 0.237 425 I C 2.594 178.726 176.117 0.026 0.000 1.059 425 I CA 1.992 63.307 61.300 0.026 0.000 1.317 425 I CB -0.513 37.501 38.000 0.023 0.000 1.037 425 I HN 0.395 nan 8.210 nan 0.000 0.398 426 E N 1.352 121.565 120.200 0.022 0.000 2.097 426 E HA -0.250 4.114 4.350 0.023 0.000 0.196 426 E C 2.022 178.636 176.600 0.022 0.000 1.000 426 E CA 1.846 58.259 56.400 0.022 0.000 0.804 426 E CB -0.221 29.490 29.700 0.019 0.000 0.740 426 E HN 0.458 nan 8.360 nan 0.000 0.454 427 A N -0.082 122.751 122.820 0.021 0.000 2.019 427 A HA -0.208 4.126 4.320 0.023 0.000 0.219 427 A C 2.138 179.737 177.584 0.025 0.000 1.164 427 A CA 1.695 53.744 52.037 0.020 0.000 0.644 427 A CB -0.575 18.436 19.000 0.018 0.000 0.805 427 A HN 0.366 nan 8.150 nan 0.000 0.449 428 Q N -0.144 119.675 119.800 0.031 0.000 2.020 428 Q HA 0.042 4.396 4.340 0.023 0.000 0.198 428 Q C 2.098 178.121 176.000 0.037 0.000 0.974 428 Q CA 2.002 57.829 55.803 0.040 0.000 0.829 428 Q CB -0.598 28.172 28.738 0.053 0.000 0.894 428 Q HN 0.503 nan 8.270 nan 0.000 0.433 429 A N 0.596 123.436 122.820 0.034 0.000 2.009 429 A HA -0.241 4.093 4.320 0.023 0.000 0.222 429 A C 2.270 179.869 177.584 0.025 0.000 1.175 429 A CA 2.135 54.190 52.037 0.030 0.000 0.651 429 A CB -1.280 17.736 19.000 0.027 0.000 0.815 429 A HN 0.582 nan 8.150 nan 0.000 0.459 430 A N -0.805 122.028 122.820 0.022 0.000 1.969 430 A HA 0.194 4.528 4.320 0.023 0.000 0.218 430 A C 2.374 179.967 177.584 0.014 0.000 1.169 430 A CA 1.701 53.748 52.037 0.016 0.000 0.635 430 A CB -1.225 17.784 19.000 0.014 0.000 0.810 430 A HN 0.771 nan 8.150 nan 0.000 0.445 431 G N -0.360 108.451 108.800 0.018 0.000 2.432 431 G HA2 -0.087 3.887 3.960 0.023 0.000 0.219 431 G HA3 -0.087 3.887 3.960 0.023 0.000 0.219 431 G C 1.454 176.362 174.900 0.014 0.000 1.135 431 G CA 1.330 46.439 45.100 0.015 0.000 0.767 431 G HN 0.331 nan 8.290 nan 0.000 0.550 432 V N 0.598 120.525 119.914 0.021 0.000 2.244 432 V HA -0.133 4.001 4.120 0.023 0.000 0.244 432 V C 2.481 178.580 176.094 0.008 0.000 1.042 432 V CA 2.095 64.408 62.300 0.021 0.000 1.006 432 V CB -0.698 31.145 31.823 0.033 0.000 0.641 432 V HN 0.507 nan 8.190 nan 0.000 0.446 433 E N -0.266 119.938 120.200 0.007 0.000 2.160 433 E HA -0.325 4.039 4.350 0.023 0.000 0.195 433 E C 2.196 178.791 176.600 -0.008 0.000 0.991 433 E CA 1.552 57.950 56.400 -0.002 0.000 0.810 433 E CB 0.027 29.728 29.700 0.002 0.000 0.742 433 E HN 0.583 nan 8.360 nan 0.000 0.466 434 Q N 0.778 120.576 119.800 -0.003 0.000 2.008 434 Q HA -0.096 4.258 4.340 0.023 0.000 0.196 434 Q C 2.073 178.066 176.000 -0.011 0.000 0.973 434 Q CA 1.746 57.545 55.803 -0.007 0.000 0.826 434 Q CB -0.257 28.479 28.738 -0.003 0.000 0.894 434 Q HN 0.137 nan 8.270 nan 0.000 0.439 435 R N -0.312 120.185 120.500 -0.006 0.000 2.139 435 R HA -0.140 4.214 4.340 0.023 0.000 0.243 435 R C 2.235 178.525 176.300 -0.017 0.000 1.145 435 R CA 1.332 57.428 56.100 -0.007 0.000 0.976 435 R CB -0.391 29.910 30.300 0.001 0.000 0.866 435 R HN 0.432 nan 8.270 nan 0.000 0.449 436 L N 0.576 121.786 121.223 -0.022 0.000 2.023 436 L HA -0.171 4.183 4.340 0.023 0.000 0.205 436 L C 2.035 178.876 176.870 -0.049 0.000 1.073 436 L CA 1.599 56.414 54.840 -0.041 0.000 0.745 436 L CB -0.230 41.802 42.059 -0.045 0.000 0.900 436 L HN 0.210 nan 8.230 nan 0.000 0.435 437 K N -0.027 120.350 120.400 -0.038 0.000 2.020 437 K HA -0.255 4.079 4.320 0.023 0.000 0.212 437 K C 1.596 178.171 176.600 -0.042 0.000 1.050 437 K CA 2.201 58.464 56.287 -0.039 0.000 0.929 437 K CB -0.400 32.083 32.500 -0.028 0.000 0.714 437 K HN 0.348 nan 8.250 nan 0.000 0.443 438 D N 0.885 121.264 120.400 -0.034 0.000 2.133 438 D HA -0.191 4.463 4.640 0.023 0.000 0.195 438 D C 1.717 177.986 176.300 -0.050 0.000 0.997 438 D CA 0.875 54.854 54.000 -0.035 0.000 0.840 438 D CB -0.145 40.641 40.800 -0.024 0.000 0.947 438 D HN 0.037 nan 8.370 nan 0.000 0.452 439 L N 0.183 121.373 121.223 -0.056 0.000 2.056 439 L HA -0.118 4.236 4.340 0.023 0.000 0.207 439 L C 1.976 178.784 176.870 -0.102 0.000 1.078 439 L CA 1.349 56.140 54.840 -0.082 0.000 0.749 439 L CB -0.458 41.557 42.059 -0.073 0.000 0.901 439 L HN -0.034 nan 8.230 nan 0.000 0.433 440 V N 0.748 120.608 119.914 -0.089 0.000 2.237 440 V HA -0.284 3.850 4.120 0.023 0.000 0.245 440 V C 2.254 178.301 176.094 -0.078 0.000 1.046 440 V CA 2.069 64.314 62.300 -0.091 0.000 1.007 440 V CB -1.257 30.518 31.823 -0.080 0.000 0.638 440 V HN 0.552 nan 8.190 nan 0.000 0.445 441 N N 0.443 119.105 118.700 -0.063 0.000 2.430 441 N HA -0.171 4.583 4.740 0.023 0.000 0.186 441 N C 1.175 176.650 175.510 -0.057 0.000 1.032 441 N CA 0.461 53.480 53.050 -0.052 0.000 0.893 441 N CB -0.325 38.137 38.487 -0.041 0.000 0.957 441 N HN 0.676 nan 8.380 nan 0.000 0.442 442 Q N 1.620 121.376 119.800 -0.074 0.000 2.315 442 Q HA -0.011 4.343 4.340 0.023 0.000 0.289 442 Q C -0.777 175.176 176.000 -0.078 0.000 1.044 442 Q CA 0.422 56.174 55.803 -0.084 0.000 0.920 442 Q CB 0.412 29.074 28.738 -0.127 0.000 1.214 442 Q HN 0.375 nan 8.270 nan 0.000 0.392 443 D N 1.149 121.510 120.400 -0.065 0.000 2.559 443 D HA 0.735 5.389 4.640 0.023 0.000 0.250 443 D C 0.195 176.466 176.300 -0.049 0.000 1.135 443 D CA -0.236 53.733 54.000 -0.052 0.000 0.955 443 D CB 1.556 42.334 40.800 -0.037 0.000 1.442 443 D HN 0.526 nan 8.370 nan 0.000 0.471 444 G N -1.831 106.947 108.800 -0.036 0.000 3.827 444 G HA2 0.363 4.337 3.960 0.023 0.000 0.218 444 G HA3 0.363 4.337 3.960 0.023 0.000 0.218 444 G C 1.065 175.953 174.900 -0.020 0.000 0.892 444 G CA 0.225 45.307 45.100 -0.030 0.000 0.857 444 G HN 1.704 nan 8.290 nan 0.000 0.508 445 G N -0.048 108.742 108.800 -0.016 0.000 2.179 445 G HA2 -0.242 3.732 3.960 0.023 0.000 0.260 445 G HA3 -0.242 3.732 3.960 0.023 0.000 0.260 445 G C 0.013 174.912 174.900 -0.003 0.000 0.977 445 G CA 0.608 45.705 45.100 -0.006 0.000 0.641 445 G HN 0.601 nan 8.290 nan 0.000 0.533 446 E N 0.705 120.901 120.200 -0.005 0.000 2.290 446 E HA 0.182 4.546 4.350 0.023 0.000 0.277 446 E C 0.237 176.848 176.600 0.019 0.000 1.035 446 E CA -0.482 55.918 56.400 -0.000 0.000 0.873 446 E CB 0.813 30.513 29.700 -0.001 0.000 1.029 446 E HN 0.325 nan 8.360 nan 0.000 0.419 447 N N 4.738 123.430 118.700 -0.013 0.000 2.401 447 N HA -0.039 4.715 4.740 0.023 0.000 0.255 447 N C 1.270 176.706 175.510 -0.124 0.000 1.110 447 N CA -0.403 52.614 53.050 -0.054 0.000 0.949 447 N CB 0.273 38.681 38.487 -0.133 0.000 1.110 447 N HN 0.568 nan 8.380 nan 0.000 0.490 448 W N 3.995 125.305 121.300 0.017 0.000 2.321 448 W HA -0.239 4.436 4.660 0.025 0.000 0.306 448 W C 0.945 177.502 176.519 0.064 0.000 1.217 448 W CA 1.257 58.634 57.345 0.054 0.000 1.257 448 W CB -1.394 28.105 29.460 0.066 0.000 1.145 448 W HN 0.557 nan 8.180 nan 0.000 0.509 449 A N 1.555 123.217 122.820 -1.930 0.000 1.972 449 A HA -0.216 4.118 4.320 0.023 0.000 0.219 449 A C 2.070 179.264 177.584 -0.651 0.000 1.169 449 A CA 2.496 53.541 52.037 -1.653 0.000 0.635 449 A CB -0.739 17.392 19.000 -1.449 0.000 0.810 449 A HN 0.247 nan 8.150 nan 0.000 0.446 450 K N 0.009 120.150 120.400 -0.431 0.000 2.062 450 K HA 0.095 4.429 4.320 0.023 0.000 0.205 450 K C 1.642 178.155 176.600 -0.144 0.000 1.051 450 K CA 1.102 57.253 56.287 -0.226 0.000 0.941 450 K CB -0.421 31.985 32.500 -0.156 0.000 0.719 450 K HN 0.508 nan 8.250 nan 0.000 0.440 451 I N 0.392 120.902 120.570 -0.100 0.000 2.127 451 I HA -0.344 3.840 4.170 0.023 0.000 0.241 451 I C 2.569 178.677 176.117 -0.014 0.000 1.075 451 I CA 1.339 62.634 61.300 -0.008 0.000 1.334 451 I CB -0.288 37.769 38.000 0.095 0.000 1.040 451 I HN 0.254 nan 8.210 nan 0.000 0.405 452 R N 1.010 121.498 120.500 -0.020 0.000 2.133 452 R HA -0.269 4.085 4.340 0.023 0.000 0.245 452 R C 1.931 178.198 176.300 -0.055 0.000 1.137 452 R CA 2.573 58.670 56.100 -0.006 0.000 0.947 452 R CB -0.447 29.843 30.300 -0.016 0.000 0.865 452 R HN 0.359 nan 8.270 nan 0.000 0.437 453 D N 0.274 120.611 120.400 -0.105 0.000 2.103 453 D HA -0.194 4.460 4.640 0.023 0.000 0.190 453 D C 1.892 178.150 176.300 -0.069 0.000 0.997 453 D CA 1.690 55.630 54.000 -0.100 0.000 0.833 453 D CB -0.466 40.265 40.800 -0.115 0.000 0.961 453 D HN 0.450 nan 8.370 nan 0.000 0.447 454 E N 0.184 120.350 120.200 -0.056 0.000 2.070 454 E HA -0.217 4.147 4.350 0.023 0.000 0.197 454 E C 2.130 178.710 176.600 -0.033 0.000 1.004 454 E CA 0.867 57.246 56.400 -0.035 0.000 0.805 454 E CB -0.218 29.466 29.700 -0.026 0.000 0.744 454 E HN 0.291 nan 8.360 nan 0.000 0.451 455 M N 0.472 120.050 119.600 -0.037 0.000 2.086 455 M HA -0.129 4.365 4.480 0.023 0.000 0.261 455 M C 2.251 178.502 176.300 -0.082 0.000 1.067 455 M CA 2.170 57.439 55.300 -0.052 0.000 1.116 455 M CB -0.331 32.242 32.600 -0.044 0.000 1.348 455 M HN 0.146 nan 8.290 nan 0.000 0.407 456 G N 0.815 109.571 108.800 -0.073 0.000 2.421 456 G HA2 -0.227 3.747 3.960 0.023 0.000 0.216 456 G HA3 -0.227 3.747 3.960 0.023 0.000 0.216 456 G C 1.494 176.369 174.900 -0.041 0.000 1.171 456 G CA 0.751 45.803 45.100 -0.080 0.000 0.775 456 G HN 0.481 nan 8.290 nan 0.000 0.543 457 L N 0.495 121.707 121.223 -0.020 0.000 2.127 457 L HA -0.119 4.235 4.340 0.023 0.000 0.211 457 L C 3.240 180.143 176.870 0.054 0.000 1.089 457 L CA 1.224 56.087 54.840 0.039 0.000 0.757 457 L CB -0.200 41.871 42.059 0.019 0.000 0.899 457 L HN 0.357 nan 8.230 nan 0.000 0.434 458 A N -1.128 121.693 122.820 0.002 0.000 1.930 458 A HA -0.159 4.175 4.320 0.023 0.000 0.215 458 A C 2.144 179.719 177.584 -0.015 0.000 1.176 458 A CA 0.937 52.975 52.037 0.001 0.000 0.632 458 A CB -0.218 18.766 19.000 -0.027 0.000 0.819 458 A HN 0.288 nan 8.150 nan 0.000 0.445 459 M N -0.520 119.008 119.600 -0.119 0.000 2.175 459 M HA -0.096 4.398 4.480 0.023 0.000 0.264 459 M C 1.901 178.192 176.300 -0.015 0.000 1.063 459 M CA 1.671 56.797 55.300 -0.290 0.000 1.119 459 M CB -1.205 30.872 32.600 -0.872 0.000 1.377 459 M HN 0.521 nan 8.290 nan 0.000 0.415 460 E N 0.517 120.828 120.200 0.184 0.000 2.204 460 E HA -0.179 4.185 4.350 0.023 0.000 0.194 460 E C 1.871 178.756 176.600 0.476 0.000 0.989 460 E CA 1.344 58.042 56.400 0.497 0.000 0.824 460 E CB 0.012 30.033 29.700 0.536 0.000 0.756 460 E HN 0.603 nan 8.360 nan 0.000 0.477 461 E N -1.823 118.565 120.200 0.313 0.000 2.166 461 E HA 0.024 4.388 4.350 0.023 0.000 0.192 461 E C 1.658 178.396 176.600 0.231 0.000 0.967 461 E CA 0.762 57.335 56.400 0.289 0.000 0.840 461 E CB -0.039 29.776 29.700 0.191 0.000 0.795 461 E HN 0.273 nan 8.360 nan 0.000 0.470 462 G N -0.607 108.289 108.800 0.159 0.000 2.833 462 G HA2 0.002 3.976 3.960 0.023 0.000 0.210 462 G HA3 0.002 3.976 3.960 0.023 0.000 0.210 462 G C 0.628 175.598 174.900 0.117 0.000 1.139 462 G CA 0.134 45.300 45.100 0.111 0.000 0.771 462 G HN 0.289 nan 8.290 nan 0.000 0.535 463 C N 1.759 121.165 119.300 0.177 0.000 2.814 463 C HA 0.628 5.102 4.460 0.023 0.000 0.242 463 C C 1.348 176.538 174.990 0.332 0.000 1.704 463 C CA -1.077 58.078 59.018 0.228 0.000 1.608 463 C CB -0.450 27.439 27.740 0.249 0.000 2.939 463 C HN 0.373 nan 8.230 nan 0.000 0.512 464 G N 0.255 109.132 108.800 0.129 0.000 2.583 464 G HA2 0.534 4.508 3.960 0.023 0.000 0.280 464 G HA3 0.534 4.508 3.960 0.023 0.000 0.280 464 G C 0.876 175.350 174.900 -0.710 0.000 1.376 464 G CA -0.581 44.397 45.100 -0.203 0.000 1.043 464 G HN 0.319 nan 8.290 nan 0.000 0.538 465 I N -1.330 118.535 120.570 -1.175 0.000 2.423 465 I HA -0.092 4.092 4.170 0.023 0.000 0.254 465 I C 0.068 175.690 176.117 -0.824 0.000 1.151 465 I CA 1.229 61.877 61.300 -1.086 0.000 1.421 465 I CB -0.217 37.143 38.000 -1.066 0.000 1.079 465 I HN 0.170 nan 8.210 nan 0.000 0.431 466 Y N 0.684 120.665 120.300 -0.531 0.000 2.322 466 Y HA 0.440 5.004 4.550 0.023 0.000 0.324 466 Y C -0.101 175.696 175.900 -0.171 0.000 1.027 466 Y CA -1.054 56.864 58.100 -0.304 0.000 1.179 466 Y CB 1.076 39.388 38.460 -0.246 0.000 1.136 466 Y HN -0.103 nan 8.280 nan 0.000 0.449 467 R N 1.585 122.100 120.500 0.025 0.000 2.474 467 R HA 0.614 4.968 4.340 0.023 0.000 0.295 467 R C -0.464 175.837 176.300 0.002 0.000 0.980 467 R CA -0.805 55.303 56.100 0.014 0.000 0.934 467 R CB 1.530 31.822 30.300 -0.013 0.000 1.101 467 R HN 0.590 nan 8.270 nan 0.000 0.469 468 T N -1.751 112.813 114.554 0.018 0.000 2.908 468 T HA 0.343 4.707 4.350 0.023 0.000 0.290 468 T C -2.021 172.682 174.700 0.005 0.000 1.034 468 T CA -2.259 59.841 62.100 0.000 0.000 1.010 468 T CB 2.149 71.021 68.868 0.006 0.000 1.068 468 T HN 0.266 nan 8.240 nan 0.000 0.481 469 P HA -0.071 nan 4.420 nan 0.000 0.220 469 P C 1.165 178.472 177.300 0.012 0.000 1.148 469 P CA 0.998 64.103 63.100 0.008 0.000 0.803 469 P CB 0.299 32.003 31.700 0.007 0.000 0.782 470 E N 0.646 120.852 120.200 0.010 0.000 2.006 470 E HA -0.132 4.232 4.350 0.023 0.000 0.192 470 E C 2.056 178.669 176.600 0.020 0.000 0.993 470 E CA 1.298 57.706 56.400 0.014 0.000 0.808 470 E CB -1.280 28.427 29.700 0.011 0.000 0.764 470 E HN 0.135 nan 8.360 nan 0.000 0.449 471 L N -0.061 121.180 121.223 0.030 0.000 2.141 471 L HA -0.081 4.273 4.340 0.023 0.000 0.209 471 L C 2.695 179.587 176.870 0.036 0.000 1.094 471 L CA 0.878 55.744 54.840 0.043 0.000 0.763 471 L CB -0.375 41.726 42.059 0.071 0.000 0.908 471 L HN 0.261 nan 8.230 nan 0.000 0.437 472 M N -0.839 118.778 119.600 0.029 0.000 2.080 472 M HA -0.258 4.236 4.480 0.023 0.000 0.260 472 M C 2.417 178.713 176.300 -0.008 0.000 1.068 472 M CA 1.708 57.018 55.300 0.016 0.000 1.109 472 M CB -0.466 32.146 32.600 0.019 0.000 1.342 472 M HN 0.218 nan 8.290 nan 0.000 0.405 473 Q N 1.204 121.003 119.800 -0.001 0.000 2.045 473 Q HA -0.222 4.132 4.340 0.023 0.000 0.206 473 Q C 1.810 177.802 176.000 -0.014 0.000 0.991 473 Q CA 2.111 57.909 55.803 -0.008 0.000 0.851 473 Q CB -0.443 28.300 28.738 0.008 0.000 0.911 473 Q HN 0.392 nan 8.270 nan 0.000 0.418 474 K N -1.299 119.101 120.400 -0.000 0.000 2.089 474 K HA -0.182 4.152 4.320 0.023 0.000 0.210 474 K C 1.872 178.467 176.600 -0.009 0.000 1.048 474 K CA 1.864 58.152 56.287 0.002 0.000 0.926 474 K CB -0.287 32.222 32.500 0.015 0.000 0.714 474 K HN 0.298 nan 8.250 nan 0.000 0.448 475 T N 1.156 115.701 114.554 -0.015 0.000 2.857 475 T HA -0.021 4.343 4.350 0.023 0.000 0.266 475 T C 1.764 176.424 174.700 -0.067 0.000 1.048 475 T CA 1.166 63.247 62.100 -0.033 0.000 1.139 475 T CB -0.059 68.792 68.868 -0.029 0.000 0.874 475 T HN 0.198 nan 8.240 nan 0.000 0.455 476 I N 1.349 121.859 120.570 -0.101 0.000 2.226 476 I HA -0.174 4.010 4.170 0.023 0.000 0.245 476 I C 2.281 178.351 176.117 -0.078 0.000 1.100 476 I CA 1.180 62.379 61.300 -0.168 0.000 1.374 476 I CB -0.384 37.458 38.000 -0.264 0.000 1.057 476 I HN 0.173 nan 8.210 nan 0.000 0.413 477 D N 0.983 121.360 120.400 -0.039 0.000 2.084 477 D HA -0.212 4.442 4.640 0.023 0.000 0.194 477 D C 2.039 178.335 176.300 -0.006 0.000 0.990 477 D CA 1.293 55.288 54.000 -0.007 0.000 0.826 477 D CB -0.265 40.536 40.800 0.001 0.000 0.971 477 D HN 0.095 nan 8.370 nan 0.000 0.453 478 K N 1.191 121.583 120.400 -0.012 0.000 2.020 478 K HA -0.094 4.240 4.320 0.023 0.000 0.212 478 K C 2.252 178.846 176.600 -0.011 0.000 1.050 478 K CA 0.808 57.090 56.287 -0.008 0.000 0.929 478 K CB -0.770 31.724 32.500 -0.011 0.000 0.714 478 K HN 0.089 nan 8.250 nan 0.000 0.443 479 L N -0.127 121.080 121.223 -0.028 0.000 1.997 479 L HA -0.267 4.087 4.340 0.023 0.000 0.216 479 L C 2.383 179.250 176.870 -0.005 0.000 1.074 479 L CA 1.886 56.708 54.840 -0.030 0.000 0.763 479 L CB -0.800 41.224 42.059 -0.058 0.000 0.890 479 L HN 0.397 nan 8.230 nan 0.000 0.434 480 A N -0.600 122.225 122.820 0.008 0.000 1.933 480 A HA -0.271 4.063 4.320 0.023 0.000 0.218 480 A C 2.196 179.799 177.584 0.032 0.000 1.175 480 A CA 1.772 53.829 52.037 0.032 0.000 0.628 480 A CB -0.572 18.458 19.000 0.050 0.000 0.814 480 A HN 0.548 nan 8.150 nan 0.000 0.444 481 E N -0.176 120.039 120.200 0.024 0.000 2.160 481 E HA -0.192 4.172 4.350 0.023 0.000 0.195 481 E C 1.789 178.411 176.600 0.037 0.000 0.991 481 E CA 1.241 57.658 56.400 0.027 0.000 0.810 481 E CB -0.182 29.529 29.700 0.018 0.000 0.742 481 E HN 0.656 nan 8.360 nan 0.000 0.466 482 L N 0.332 121.576 121.223 0.036 0.000 2.209 482 L HA -0.095 4.259 4.340 0.023 0.000 0.207 482 L C 2.722 179.645 176.870 0.089 0.000 1.094 482 L CA 0.342 55.215 54.840 0.055 0.000 0.790 482 L CB -0.228 41.851 42.059 0.033 0.000 0.932 482 L HN 0.128 nan 8.230 nan 0.000 0.447 483 Q N 0.104 119.940 119.800 0.059 0.000 2.135 483 Q HA -0.263 4.091 4.340 0.023 0.000 0.204 483 Q C 1.958 178.036 176.000 0.130 0.000 0.981 483 Q CA 1.767 57.610 55.803 0.067 0.000 0.856 483 Q CB -0.030 28.726 28.738 0.030 0.000 0.902 483 Q HN 0.458 nan 8.270 nan 0.000 0.425 484 E N 0.916 121.171 120.200 0.093 0.000 2.007 484 E HA -0.155 4.209 4.350 0.023 0.000 0.194 484 E C 1.969 178.627 176.600 0.097 0.000 0.999 484 E CA 1.295 57.744 56.400 0.083 0.000 0.811 484 E CB -0.195 29.536 29.700 0.053 0.000 0.762 484 E HN 0.107 nan 8.360 nan 0.000 0.450 485 R N -0.856 119.698 120.500 0.091 0.000 2.139 485 R HA -0.174 4.180 4.340 0.023 0.000 0.243 485 R C 2.276 178.638 176.300 0.104 0.000 1.145 485 R CA 1.381 57.527 56.100 0.078 0.000 0.976 485 R CB -0.632 29.709 30.300 0.069 0.000 0.866 485 R HN 0.321 nan 8.270 nan 0.000 0.449 486 F N 1.765 121.725 119.950 0.017 0.000 2.287 486 F HA -0.213 4.327 4.527 0.022 0.000 0.301 486 F C 1.547 177.355 175.800 0.014 0.000 1.069 486 F CA 1.581 59.594 58.000 0.023 0.000 1.372 486 F CB 0.085 39.093 39.000 0.014 0.000 1.056 486 F HN -0.095 nan 8.300 nan 0.000 0.523 487 K N -0.429 119.984 120.400 0.021 0.000 2.432 487 K HA 0.004 4.338 4.320 0.023 0.000 0.196 487 K C 1.195 177.735 176.600 -0.100 0.000 1.038 487 K CA 0.517 56.768 56.287 -0.060 0.000 0.986 487 K CB 0.052 32.566 32.500 0.023 0.000 0.782 487 K HN 0.153 nan 8.250 nan 0.000 0.485 488 R N 0.612 121.065 120.500 -0.078 0.000 2.552 488 R HA 0.161 4.515 4.340 0.023 0.000 0.314 488 R C -0.599 175.651 176.300 -0.083 0.000 1.041 488 R CA -0.155 55.906 56.100 -0.065 0.000 1.076 488 R CB 0.808 31.092 30.300 -0.027 0.000 1.290 488 R HN -0.128 nan 8.270 nan 0.000 0.563 489 V N 1.050 120.868 119.914 -0.160 0.000 2.607 489 V HA 0.300 4.434 4.120 0.023 0.000 0.289 489 V C 0.345 176.365 176.094 -0.123 0.000 1.053 489 V CA -0.447 61.774 62.300 -0.131 0.000 0.996 489 V CB 1.480 33.176 31.823 -0.212 0.000 0.995 489 V HN 0.207 nan 8.190 nan 0.000 0.476 490 R N 3.989 124.461 120.500 -0.045 0.000 2.599 490 R HA 0.562 4.915 4.340 0.023 0.000 0.295 490 R C -1.129 175.164 176.300 -0.012 0.000 0.963 490 R CA -0.740 55.334 56.100 -0.044 0.000 0.883 490 R CB 1.460 31.746 30.300 -0.023 0.000 1.171 490 R HN 0.663 nan 8.270 nan 0.000 0.450 491 I N 4.435 124.972 120.570 -0.055 0.000 2.282 491 I HA 0.051 4.235 4.170 0.023 0.000 0.290 491 I C 1.615 177.707 176.117 -0.042 0.000 1.090 491 I CA -0.173 61.087 61.300 -0.066 0.000 1.231 491 I CB 1.569 39.490 38.000 -0.132 0.000 1.434 491 I HN 0.751 nan 8.210 nan 0.000 0.487 492 T N -0.110 114.443 114.554 -0.002 0.000 3.098 492 T HA -0.073 4.291 4.350 0.023 0.000 0.266 492 T C 0.619 175.310 174.700 -0.016 0.000 1.145 492 T CA 0.301 62.401 62.100 -0.000 0.000 1.092 492 T CB -0.127 68.758 68.868 0.028 0.000 0.908 492 T HN 0.392 nan 8.240 nan 0.000 0.526 493 D N 1.967 122.343 120.400 -0.039 0.000 2.280 493 D HA 0.254 4.908 4.640 0.023 0.000 0.236 493 D C 0.873 177.132 176.300 -0.069 0.000 1.082 493 D CA -0.117 53.853 54.000 -0.051 0.000 0.834 493 D CB 1.819 42.578 40.800 -0.069 0.000 1.100 493 D HN 0.321 nan 8.370 nan 0.000 0.486 494 T N -0.523 114.000 114.554 -0.052 0.000 3.084 494 T HA 0.140 4.504 4.350 0.023 0.000 0.270 494 T C 0.900 175.570 174.700 -0.049 0.000 1.008 494 T CA -0.310 61.757 62.100 -0.055 0.000 0.900 494 T CB -0.097 68.746 68.868 -0.041 0.000 1.084 494 T HN 0.246 nan 8.240 nan 0.000 0.538 495 S N 1.114 116.787 115.700 -0.045 0.000 2.589 495 S HA 0.330 4.814 4.470 0.023 0.000 0.265 495 S C 1.022 175.596 174.600 -0.043 0.000 1.342 495 S CA -0.008 58.172 58.200 -0.033 0.000 1.005 495 S CB 1.066 64.255 63.200 -0.019 0.000 0.909 495 S HN 0.319 nan 8.310 nan 0.000 0.555 496 S N 0.309 115.993 115.700 -0.027 0.000 2.506 496 S HA 0.177 4.661 4.470 0.023 0.000 0.219 496 S C 0.207 174.802 174.600 -0.009 0.000 1.031 496 S CA -0.314 57.867 58.200 -0.031 0.000 0.911 496 S CB 0.083 63.270 63.200 -0.021 0.000 0.812 496 S HN 0.568 nan 8.310 nan 0.000 0.497 497 V N 3.988 123.915 119.914 0.023 0.000 2.387 497 V HA 0.292 4.426 4.120 0.023 0.000 0.260 497 V C -0.115 176.074 176.094 0.157 0.000 1.054 497 V CA -0.314 62.033 62.300 0.077 0.000 0.967 497 V CB -0.920 30.944 31.823 0.067 0.000 1.036 497 V HN 0.537 nan 8.190 nan 0.000 0.481 498 F N 4.565 124.484 119.950 -0.053 0.000 2.797 498 F HA -0.215 4.326 4.527 0.024 0.000 0.273 498 F C 0.642 176.385 175.800 -0.094 0.000 1.020 498 F CA 0.427 58.391 58.000 -0.060 0.000 0.961 498 F CB -0.406 38.577 39.000 -0.029 0.000 1.020 498 F HN 0.684 nan 8.300 nan 0.000 0.840 499 N N 1.692 120.262 118.700 -0.217 0.000 2.439 499 N HA 0.124 4.878 4.740 0.023 0.000 0.243 499 N C 1.249 176.507 175.510 -0.420 0.000 1.088 499 N CA 0.678 53.583 53.050 -0.242 0.000 0.940 499 N CB 0.952 39.316 38.487 -0.205 0.000 1.180 499 N HN 0.490 nan 8.380 nan 0.000 0.505 500 T N -0.011 114.267 114.554 -0.460 0.000 3.035 500 T HA -0.070 4.294 4.350 0.023 0.000 0.259 500 T C 1.292 175.413 174.700 -0.964 0.000 1.078 500 T CA 0.613 62.239 62.100 -0.790 0.000 1.132 500 T CB -0.024 68.368 68.868 -0.794 0.000 0.900 500 T HN 0.352 nan 8.240 nan 0.000 0.480 501 D N 1.168 121.221 120.400 -0.579 0.000 2.149 501 D HA -0.098 4.556 4.640 0.023 0.000 0.198 501 D C 1.875 177.824 176.300 -0.585 0.000 0.990 501 D CA 0.882 54.573 54.000 -0.514 0.000 0.839 501 D CB -0.411 40.246 40.800 -0.239 0.000 0.948 501 D HN 0.368 nan 8.370 nan 0.000 0.460 502 L N -0.099 120.846 121.223 -0.464 0.000 2.072 502 L HA 0.041 4.395 4.340 0.023 0.000 0.205 502 L C 1.999 178.601 176.870 -0.448 0.000 1.079 502 L CA 1.362 55.961 54.840 -0.401 0.000 0.752 502 L CB -0.492 41.373 42.059 -0.324 0.000 0.906 502 L HN 0.143 nan 8.230 nan 0.000 0.436 503 L N -1.556 119.355 121.223 -0.520 0.000 2.005 503 L HA -0.223 4.131 4.340 0.023 0.000 0.207 503 L C 2.607 179.350 176.870 -0.212 0.000 1.072 503 L CA 1.625 56.179 54.840 -0.476 0.000 0.744 503 L CB -0.999 40.810 42.059 -0.416 0.000 0.895 503 L HN 0.275 nan 8.230 nan 0.000 0.433 504 Y N 0.114 120.209 120.300 -0.341 0.000 2.228 504 Y HA -0.323 4.240 4.550 0.023 0.000 0.285 504 Y C 2.828 178.519 175.900 -0.347 0.000 1.178 504 Y CA 1.031 58.914 58.100 -0.362 0.000 1.202 504 Y CB -0.664 37.359 38.460 -0.728 0.000 0.974 504 Y HN 0.259 nan 8.280 nan 0.000 0.527 505 T N 0.559 114.924 114.554 -0.314 0.000 2.737 505 T HA -0.141 4.223 4.350 0.023 0.000 0.265 505 T C 1.828 176.573 174.700 0.075 0.000 1.038 505 T CA 1.365 63.403 62.100 -0.104 0.000 1.144 505 T CB -0.356 68.380 68.868 -0.221 0.000 0.866 505 T HN 0.261 nan 8.240 nan 0.000 0.434 506 I N 1.100 121.630 120.570 -0.066 0.000 2.226 506 I HA -0.179 4.005 4.170 0.023 0.000 0.245 506 I C 2.601 178.715 176.117 -0.005 0.000 1.100 506 I CA 1.441 62.694 61.300 -0.079 0.000 1.374 506 I CB -0.504 37.339 38.000 -0.261 0.000 1.057 506 I HN 0.359 nan 8.210 nan 0.000 0.413 507 E N 0.684 120.984 120.200 0.166 0.000 2.058 507 E HA -0.269 4.095 4.350 0.023 0.000 0.194 507 E C 2.165 178.843 176.600 0.131 0.000 0.997 507 E CA 1.188 57.762 56.400 0.291 0.000 0.801 507 E CB -0.259 29.625 29.700 0.307 0.000 0.746 507 E HN 0.264 nan 8.360 nan 0.000 0.450 508 L N 1.147 122.437 121.223 0.112 0.000 2.127 508 L HA -0.114 4.240 4.340 0.023 0.000 0.211 508 L C 2.137 178.890 176.870 -0.195 0.000 1.089 508 L CA 2.062 56.948 54.840 0.077 0.000 0.757 508 L CB -0.978 41.250 42.059 0.281 0.000 0.899 508 L HN 0.123 nan 8.230 nan 0.000 0.434 509 G N -1.369 107.219 108.800 -0.354 0.000 2.514 509 G HA2 -0.330 3.644 3.960 0.023 0.000 0.217 509 G HA3 -0.330 3.644 3.960 0.023 0.000 0.217 509 G C 1.480 176.062 174.900 -0.530 0.000 1.198 509 G CA 1.090 45.714 45.100 -0.793 0.000 0.780 509 G HN 0.556 nan 8.290 nan 0.000 0.565 510 H N 0.891 119.887 119.070 -0.124 0.000 2.387 510 H HA -0.075 4.495 4.556 0.022 0.000 0.299 510 H C 2.888 178.167 175.328 -0.082 0.000 1.090 510 H CA 1.166 57.169 56.048 -0.075 0.000 1.332 510 H CB -0.984 28.773 29.762 -0.009 0.000 1.386 510 H HN 0.375 nan 8.280 nan 0.000 0.516 511 G N 1.577 110.392 108.800 0.026 0.000 2.514 511 G HA2 -0.237 3.737 3.960 0.023 0.000 0.217 511 G HA3 -0.237 3.737 3.960 0.023 0.000 0.217 511 G C 1.952 176.822 174.900 -0.049 0.000 1.198 511 G CA 1.092 46.192 45.100 0.000 0.000 0.780 511 G HN 0.265 nan 8.290 nan 0.000 0.565 512 L N 0.444 121.596 121.223 -0.119 0.000 1.956 512 L HA -0.184 4.170 4.340 0.023 0.000 0.216 512 L C 2.889 179.710 176.870 -0.082 0.000 1.073 512 L CA 1.585 56.352 54.840 -0.121 0.000 0.762 512 L CB -0.900 41.034 42.059 -0.207 0.000 0.889 512 L HN 0.167 nan 8.230 nan 0.000 0.433 513 N N 0.171 118.814 118.700 -0.094 0.000 2.058 513 N HA -0.211 4.543 4.740 0.023 0.000 0.200 513 N C 1.783 177.287 175.510 -0.010 0.000 1.033 513 N CA 1.741 54.767 53.050 -0.041 0.000 0.880 513 N CB -1.090 37.383 38.487 -0.023 0.000 1.069 513 N HN 0.129 nan 8.380 nan 0.000 0.461 514 V N 1.479 121.391 119.914 -0.003 0.000 2.261 514 V HA -0.206 3.928 4.120 0.023 0.000 0.246 514 V C 2.446 178.539 176.094 -0.002 0.000 1.047 514 V CA 1.845 64.144 62.300 -0.002 0.000 1.015 514 V CB -1.225 30.597 31.823 -0.002 0.000 0.642 514 V HN 0.408 nan 8.190 nan 0.000 0.446 515 A N -0.389 122.422 122.820 -0.015 0.000 2.054 515 A HA -0.311 4.023 4.320 0.023 0.000 0.223 515 A C 2.139 179.706 177.584 -0.029 0.000 1.169 515 A CA 2.222 54.239 52.037 -0.034 0.000 0.655 515 A CB -0.498 18.461 19.000 -0.067 0.000 0.812 515 A HN 0.696 nan 8.150 nan 0.000 0.462 516 E N -0.921 119.277 120.200 -0.002 0.000 2.216 516 E HA -0.113 4.251 4.350 0.023 0.000 0.192 516 E C 2.039 178.702 176.600 0.105 0.000 0.988 516 E CA 1.051 57.476 56.400 0.041 0.000 0.834 516 E CB -0.309 29.449 29.700 0.096 0.000 0.772 516 E HN 0.823 nan 8.360 nan 0.000 0.479 517 C N 0.812 120.154 119.300 0.069 0.000 2.457 517 C HA -0.017 4.457 4.460 0.023 0.000 0.278 517 C C 2.675 177.694 174.990 0.048 0.000 1.309 517 C CA 0.107 59.172 59.018 0.077 0.000 1.735 517 C CB -0.887 26.870 27.740 0.028 0.000 1.992 517 C HN 0.375 nan 8.230 nan 0.000 0.493 518 M N 2.161 121.772 119.600 0.018 0.000 2.115 518 M HA -0.192 4.302 4.480 0.023 0.000 0.258 518 M C 2.713 178.999 176.300 -0.025 0.000 1.071 518 M CA 2.412 57.712 55.300 -0.000 0.000 1.100 518 M CB -0.912 31.706 32.600 0.030 0.000 1.292 518 M HN 0.449 nan 8.290 nan 0.000 0.415 519 A N 0.075 122.869 122.820 -0.043 0.000 1.852 519 A HA -0.263 4.071 4.320 0.023 0.000 0.217 519 A C 1.943 179.467 177.584 -0.100 0.000 1.215 519 A CA 2.141 54.120 52.037 -0.097 0.000 0.641 519 A CB -1.553 17.338 19.000 -0.182 0.000 0.838 519 A HN 0.547 nan 8.150 nan 0.000 0.450 520 H N -0.165 118.901 119.070 -0.005 0.000 2.289 520 H HA -0.123 4.447 4.556 0.023 0.000 0.294 520 H C 2.695 178.020 175.328 -0.004 0.000 1.095 520 H CA 1.860 57.910 56.048 0.003 0.000 1.256 520 H CB -0.673 29.092 29.762 0.006 0.000 1.359 520 H HN 0.510 nan 8.280 nan 0.000 0.487 521 S N 0.498 116.257 115.700 0.098 0.000 2.369 521 S HA -0.242 4.242 4.470 0.023 0.000 0.225 521 S C 2.491 177.045 174.600 -0.076 0.000 1.043 521 S CA 1.354 59.562 58.200 0.013 0.000 1.074 521 S CB -0.554 62.625 63.200 -0.034 0.000 0.962 521 S HN 0.603 nan 8.310 nan 0.000 0.433 522 A N 1.415 124.141 122.820 -0.156 0.000 1.859 522 A HA -0.207 4.127 4.320 0.023 0.000 0.217 522 A C 2.154 179.753 177.584 0.025 0.000 1.198 522 A CA 2.265 54.176 52.037 -0.210 0.000 0.629 522 A CB -0.827 18.133 19.000 -0.067 0.000 0.830 522 A HN 0.450 nan 8.150 nan 0.000 0.446 523 M N 0.219 119.842 119.600 0.039 0.000 2.108 523 M HA -0.185 4.309 4.480 0.023 0.000 0.257 523 M C 2.076 178.429 176.300 0.088 0.000 1.071 523 M CA 2.035 57.373 55.300 0.062 0.000 1.093 523 M CB -0.588 32.041 32.600 0.048 0.000 1.345 523 M HN 0.418 nan 8.290 nan 0.000 0.403 524 A N -0.697 122.192 122.820 0.115 0.000 1.929 524 A HA -0.063 4.271 4.320 0.023 0.000 0.216 524 A C 1.737 179.420 177.584 0.166 0.000 1.176 524 A CA 0.785 52.933 52.037 0.185 0.000 0.628 524 A CB -0.572 18.581 19.000 0.256 0.000 0.816 524 A HN 0.507 nan 8.150 nan 0.000 0.444 525 R N 1.280 121.807 120.500 0.045 0.000 2.605 525 R HA 0.082 4.436 4.340 0.023 0.000 0.271 525 R C -0.725 175.348 176.300 -0.379 0.000 1.418 525 R CA 0.079 56.031 56.100 -0.248 0.000 1.102 525 R CB -0.375 29.813 30.300 -0.186 0.000 1.131 525 R HN 0.253 nan 8.270 nan 0.000 0.554 526 K N 4.229 124.288 120.400 -0.568 0.000 2.737 526 K HA -0.004 4.329 4.320 0.023 0.000 0.251 526 K C -0.445 175.907 176.600 -0.415 0.000 1.280 526 K CA 0.023 56.131 56.287 -0.297 0.000 1.219 526 K CB 0.053 32.553 32.500 0.001 0.000 1.587 526 K HN 0.663 nan 8.250 nan 0.000 0.279 527 E N -1.847 118.093 120.200 -0.434 0.000 2.415 527 E HA 0.358 4.722 4.350 0.023 0.000 0.271 527 E C -1.289 175.193 176.600 -0.197 0.000 1.094 527 E CA -1.077 55.156 56.400 -0.279 0.000 0.881 527 E CB 1.124 30.628 29.700 -0.325 0.000 1.581 527 E HN -0.102 nan 8.360 nan 0.000 0.460 528 S N -0.107 115.529 115.700 -0.107 0.000 2.659 528 S HA 0.573 5.057 4.470 0.023 0.000 0.312 528 S C -0.974 173.634 174.600 0.013 0.000 1.114 528 S CA -0.735 57.411 58.200 -0.089 0.000 1.063 528 S CB 0.846 64.002 63.200 -0.072 0.000 0.996 528 S HN 0.368 nan 8.310 nan 0.000 0.478 529 R N 1.358 121.914 120.500 0.093 0.000 2.533 529 R HA 0.490 4.844 4.340 0.023 0.000 0.288 529 R C 0.974 177.424 176.300 0.250 0.000 1.039 529 R CA 0.023 56.237 56.100 0.191 0.000 0.909 529 R CB 1.640 32.114 30.300 0.289 0.000 1.195 529 R HN 0.885 nan 8.270 nan 0.000 0.438 530 G N 2.424 111.315 108.800 0.151 0.000 2.805 530 G HA2 -0.511 3.463 3.960 0.023 0.000 0.360 530 G HA3 -0.511 3.463 3.960 0.023 0.000 0.360 530 G C 0.967 175.945 174.900 0.130 0.000 1.164 530 G CA 1.316 46.489 45.100 0.121 0.000 0.954 530 G HN 0.701 nan 8.290 nan 0.000 0.597 531 A N -0.664 122.309 122.820 0.256 0.000 1.929 531 A HA 0.181 4.515 4.320 0.023 0.000 0.216 531 A C 1.463 179.145 177.584 0.164 0.000 1.176 531 A CA 1.988 54.162 52.037 0.229 0.000 0.628 531 A CB -0.363 18.861 19.000 0.373 0.000 0.816 531 A HN 1.085 nan 8.150 nan 0.000 0.444 532 H N 1.316 120.435 119.070 0.082 0.000 2.911 532 H HA 0.396 4.967 4.556 0.024 0.000 0.273 532 H C -0.718 174.551 175.328 -0.099 0.000 1.157 532 H CA -0.214 55.763 56.048 -0.119 0.000 1.402 532 H CB 0.003 29.559 29.762 -0.344 0.000 1.463 532 H HN 0.210 nan 8.280 nan 0.000 0.475 533 Q N 4.958 124.554 119.800 -0.340 0.000 2.341 533 Q HA 0.383 4.737 4.340 0.023 0.000 0.268 533 Q C -0.187 175.686 176.000 -0.211 0.000 1.013 533 Q CA -0.531 55.109 55.803 -0.271 0.000 0.798 533 Q CB 2.072 30.623 28.738 -0.312 0.000 1.253 533 Q HN 0.699 nan 8.270 nan 0.000 0.457 534 R N 1.563 121.947 120.500 -0.193 0.000 2.758 534 R HA 0.553 4.907 4.340 0.023 0.000 0.265 534 R C 0.831 177.103 176.300 -0.047 0.000 1.016 534 R CA -0.563 55.455 56.100 -0.135 0.000 1.040 534 R CB 1.329 31.503 30.300 -0.210 0.000 1.152 534 R HN 0.459 nan 8.270 nan 0.000 0.503 535 L N 0.699 121.881 121.223 -0.069 0.000 2.766 535 L HA 0.130 4.484 4.340 0.023 0.000 0.242 535 L C -0.101 176.714 176.870 -0.091 0.000 1.136 535 L CA -0.098 54.675 54.840 -0.112 0.000 0.933 535 L CB 0.242 42.192 42.059 -0.182 0.000 1.241 535 L HN 0.660 nan 8.230 nan 0.000 0.522 536 D N 0.903 121.261 120.400 -0.069 0.000 2.304 536 D HA -0.039 4.615 4.640 0.023 0.000 0.250 536 D C 0.111 176.385 176.300 -0.044 0.000 1.107 536 D CA -0.396 53.572 54.000 -0.052 0.000 0.885 536 D CB 1.153 41.930 40.800 -0.038 0.000 1.192 536 D HN 0.024 nan 8.370 nan 0.000 0.436 537 E N 0.922 121.101 120.200 -0.036 0.000 2.966 537 E HA 0.013 4.376 4.350 0.023 0.000 0.254 537 E C 0.849 177.438 176.600 -0.018 0.000 0.923 537 E CA 1.020 57.404 56.400 -0.027 0.000 0.960 537 E CB -0.392 29.295 29.700 -0.021 0.000 0.901 537 E HN 0.813 nan 8.360 nan 0.000 0.525 538 G N 3.048 111.839 108.800 -0.016 0.000 2.141 538 G HA2 -0.271 3.703 3.960 0.023 0.000 0.242 538 G HA3 -0.271 3.703 3.960 0.023 0.000 0.242 538 G C 0.430 175.327 174.900 -0.005 0.000 0.982 538 G CA 0.043 45.141 45.100 -0.003 0.000 0.662 538 G HN 0.632 nan 8.290 nan 0.000 0.527 539 C N -0.204 119.078 119.300 -0.030 0.000 4.015 539 C HA 0.296 4.770 4.460 0.023 0.000 0.323 539 C C 2.458 177.405 174.990 -0.071 0.000 1.724 539 C CA 0.955 59.938 59.018 -0.058 0.000 1.828 539 C CB -0.351 27.340 27.740 -0.081 0.000 3.083 539 C HN 0.847 nan 8.230 nan 0.000 0.640 540 T N -1.591 112.933 114.554 -0.051 0.000 3.051 540 T HA -0.029 4.335 4.350 0.023 0.000 0.269 540 T C 0.228 174.908 174.700 -0.033 0.000 1.127 540 T CA 1.481 63.553 62.100 -0.046 0.000 1.107 540 T CB 0.451 69.293 68.868 -0.042 0.000 0.898 540 T HN 0.452 nan 8.240 nan 0.000 0.517 541 E N 0.581 120.764 120.200 -0.029 0.000 2.312 541 E HA 0.503 4.867 4.350 0.023 0.000 0.267 541 E C -0.638 175.955 176.600 -0.010 0.000 0.894 541 E CA -1.035 55.355 56.400 -0.017 0.000 0.773 541 E CB 1.580 31.272 29.700 -0.013 0.000 1.241 541 E HN 0.214 nan 8.360 nan 0.000 0.432 542 R N 1.800 122.300 120.500 -0.001 0.000 2.484 542 R HA 0.028 4.382 4.340 0.023 0.000 0.293 542 R C -0.874 175.438 176.300 0.021 0.000 1.023 542 R CA 0.191 56.300 56.100 0.015 0.000 1.037 542 R CB 0.280 30.589 30.300 0.015 0.000 0.951 542 R HN 0.367 nan 8.270 nan 0.000 0.418 543 D N 3.232 123.670 120.400 0.064 0.000 2.460 543 D HA 0.116 4.770 4.640 0.023 0.000 0.232 543 D C -0.463 175.892 176.300 0.093 0.000 1.079 543 D CA -0.566 53.489 54.000 0.091 0.000 0.864 543 D CB 1.216 42.123 40.800 0.180 0.000 1.048 543 D HN 0.444 nan 8.370 nan 0.000 0.523 544 D N 2.503 122.912 120.400 0.015 0.000 2.349 544 D HA -0.029 4.625 4.640 0.023 0.000 0.224 544 D C 1.846 178.133 176.300 -0.021 0.000 1.029 544 D CA 0.320 54.311 54.000 -0.014 0.000 0.879 544 D CB 0.706 41.451 40.800 -0.091 0.000 0.906 544 D HN 0.269 nan 8.370 nan 0.000 0.528 545 V N 0.907 120.811 119.914 -0.017 0.000 2.500 545 V HA -0.048 4.086 4.120 0.023 0.000 0.243 545 V C 1.715 177.759 176.094 -0.085 0.000 1.039 545 V CA 1.067 63.341 62.300 -0.043 0.000 1.053 545 V CB -0.074 31.727 31.823 -0.037 0.000 0.695 545 V HN 0.175 nan 8.190 nan 0.000 0.463 546 N N -1.451 117.186 118.700 -0.106 0.000 2.294 546 N HA 0.184 4.938 4.740 0.023 0.000 0.186 546 N C 0.674 175.855 175.510 -0.550 0.000 1.107 546 N CA 0.439 53.294 53.050 -0.325 0.000 0.884 546 N CB 0.839 39.084 38.487 -0.403 0.000 1.030 546 N HN 0.451 nan 8.380 nan 0.000 0.482 547 F N 0.415 120.318 119.950 -0.078 0.000 2.791 547 F HA 0.304 4.845 4.527 0.023 0.000 0.316 547 F C 0.539 176.320 175.800 -0.031 0.000 1.134 547 F CA -0.432 57.523 58.000 -0.075 0.000 1.222 547 F CB 0.590 39.573 39.000 -0.028 0.000 1.034 547 F HN -0.154 nan 8.300 nan 0.000 0.516 548 L N 3.408 124.678 121.223 0.078 0.000 2.533 548 L HA 0.264 4.618 4.340 0.023 0.000 0.239 548 L C 0.082 176.957 176.870 0.010 0.000 1.376 548 L CA 0.392 55.263 54.840 0.051 0.000 1.240 548 L CB -1.412 40.661 42.059 0.023 0.000 1.487 548 L HN 0.100 nan 8.230 nan 0.000 0.419 549 K N -1.257 119.161 120.400 0.031 0.000 2.522 549 K HA 0.501 4.835 4.320 0.023 0.000 0.275 549 K C -1.002 175.647 176.600 0.082 0.000 1.006 549 K CA -1.047 55.261 56.287 0.035 0.000 0.890 549 K CB 1.119 33.660 32.500 0.069 0.000 1.475 549 K HN -0.054 nan 8.250 nan 0.000 0.441 550 H N 0.354 119.563 119.070 0.232 0.000 2.488 550 H HA 0.288 4.859 4.556 0.025 0.000 0.347 550 H C -0.477 175.049 175.328 0.329 0.000 1.174 550 H CA -0.115 56.076 56.048 0.237 0.000 1.307 550 H CB 1.934 31.781 29.762 0.141 0.000 1.517 550 H HN 0.507 nan 8.280 nan 0.000 0.554 551 T N 3.942 118.751 114.554 0.426 0.000 2.758 551 T HA 0.392 4.755 4.350 0.023 0.000 0.285 551 T C 0.354 175.127 174.700 0.121 0.000 0.981 551 T CA -0.668 61.580 62.100 0.246 0.000 0.965 551 T CB 0.300 69.322 68.868 0.256 0.000 0.927 551 T HN 0.217 nan 8.240 nan 0.000 0.448 552 L N 3.015 124.267 121.223 0.049 0.000 2.316 552 L HA 0.705 5.059 4.340 0.023 0.000 0.280 552 L C 0.215 177.190 176.870 0.175 0.000 1.006 552 L CA -1.046 53.862 54.840 0.114 0.000 0.836 552 L CB 1.280 43.534 42.059 0.325 0.000 1.221 552 L HN 0.651 nan 8.230 nan 0.000 0.418 553 A N 3.756 126.603 122.820 0.045 0.000 2.292 553 A HA 0.830 5.164 4.320 0.023 0.000 0.319 553 A C -1.086 176.510 177.584 0.020 0.000 1.206 553 A CA -0.221 51.873 52.037 0.096 0.000 0.835 553 A CB 0.398 19.413 19.000 0.026 0.000 1.164 553 A HN 0.470 nan 8.150 nan 0.000 0.505 554 F N 0.902 120.813 119.950 -0.065 0.000 2.520 554 F HA 0.574 5.114 4.527 0.023 0.000 0.322 554 F C 0.562 176.330 175.800 -0.054 0.000 1.103 554 F CA -0.579 57.389 58.000 -0.054 0.000 0.926 554 F CB 2.053 41.020 39.000 -0.055 0.000 1.154 554 F HN 0.631 nan 8.300 nan 0.000 0.453 555 R N 2.978 123.536 120.500 0.096 0.000 2.295 555 R HA 0.321 4.675 4.340 0.023 0.000 0.324 555 R C -0.988 175.341 176.300 0.050 0.000 0.968 555 R CA -0.528 55.601 56.100 0.047 0.000 0.837 555 R CB 0.561 30.867 30.300 0.012 0.000 1.133 555 R HN 0.627 nan 8.270 nan 0.000 0.450 556 D N 2.527 122.948 120.400 0.035 0.000 2.387 556 D HA 0.127 4.780 4.640 0.023 0.000 0.251 556 D C 0.894 177.197 176.300 0.005 0.000 1.141 556 D CA -0.034 53.979 54.000 0.023 0.000 0.987 556 D CB 1.484 42.289 40.800 0.009 0.000 1.116 556 D HN 0.662 nan 8.370 nan 0.000 0.491 557 A N 0.781 123.602 122.820 0.000 0.000 2.070 557 A HA -0.203 4.131 4.320 0.023 0.000 0.220 557 A C 1.345 178.928 177.584 -0.003 0.000 1.159 557 A CA 1.664 53.697 52.037 -0.006 0.000 0.656 557 A CB -0.424 18.572 19.000 -0.007 0.000 0.800 557 A HN 0.590 nan 8.150 nan 0.000 0.453 558 D N -2.082 118.316 120.400 -0.002 0.000 2.348 558 D HA 0.225 4.879 4.640 0.023 0.000 0.216 558 D C 1.284 177.585 176.300 0.002 0.000 0.970 558 D CA 1.033 55.032 54.000 -0.001 0.000 0.889 558 D CB -0.624 40.173 40.800 -0.005 0.000 0.912 558 D HN 0.788 nan 8.370 nan 0.000 0.524 559 G N -0.129 108.672 108.800 0.002 0.000 2.175 559 G HA2 -0.243 3.731 3.960 0.023 0.000 0.244 559 G HA3 -0.243 3.731 3.960 0.023 0.000 0.244 559 G C 0.401 175.302 174.900 0.002 0.000 0.982 559 G CA 0.466 45.569 45.100 0.005 0.000 0.641 559 G HN 0.815 nan 8.290 nan 0.000 0.527 560 T N -0.720 113.827 114.554 -0.011 0.000 2.837 560 T HA 0.597 4.961 4.350 0.023 0.000 0.285 560 T C 0.123 174.789 174.700 -0.058 0.000 0.984 560 T CA 0.237 62.314 62.100 -0.037 0.000 1.049 560 T CB 1.908 70.749 68.868 -0.045 0.000 0.947 560 T HN 0.300 nan 8.240 nan 0.000 0.472 561 T N 4.556 119.036 114.554 -0.122 0.000 2.727 561 T HA 0.301 4.665 4.350 0.023 0.000 0.295 561 T C 0.407 175.013 174.700 -0.155 0.000 0.915 561 T CA -0.445 61.580 62.100 -0.125 0.000 1.066 561 T CB -0.025 68.751 68.868 -0.153 0.000 0.891 561 T HN 0.486 nan 8.240 nan 0.000 0.516 562 R N 2.739 123.213 120.500 -0.044 0.000 2.368 562 R HA 0.579 4.933 4.340 0.023 0.000 0.302 562 R C -0.432 175.855 176.300 -0.021 0.000 1.002 562 R CA -0.658 55.400 56.100 -0.069 0.000 0.929 562 R CB 1.067 31.305 30.300 -0.104 0.000 1.073 562 R HN 0.504 nan 8.270 nan 0.000 0.464 563 L N 2.031 123.197 121.223 -0.094 0.000 2.334 563 L HA 0.504 4.858 4.340 0.023 0.000 0.276 563 L C 0.058 176.766 176.870 -0.271 0.000 1.014 563 L CA -0.471 54.284 54.840 -0.142 0.000 0.815 563 L CB 1.843 43.794 42.059 -0.181 0.000 1.268 563 L HN 0.600 nan 8.230 nan 0.000 0.428 564 E N 0.889 120.887 120.200 -0.338 0.000 2.450 564 E HA 0.552 4.916 4.350 0.023 0.000 0.272 564 E C -1.903 174.440 176.600 -0.428 0.000 0.967 564 E CA -0.798 55.417 56.400 -0.308 0.000 0.818 564 E CB 2.845 32.428 29.700 -0.194 0.000 1.401 564 E HN 0.327 nan 8.360 nan 0.000 0.450 565 Y N 0.112 120.460 120.300 0.080 0.000 2.433 565 Y HA 0.329 4.894 4.550 0.024 0.000 0.337 565 Y C -0.128 175.833 175.900 0.101 0.000 1.026 565 Y CA -0.749 57.416 58.100 0.107 0.000 1.037 565 Y CB 2.242 40.747 38.460 0.076 0.000 1.245 565 Y HN 0.486 nan 8.280 nan 0.000 0.443 566 S N 0.969 116.856 115.700 0.312 0.000 2.689 566 S HA 0.556 5.040 4.470 0.023 0.000 0.306 566 S C -1.366 173.367 174.600 0.221 0.000 1.104 566 S CA -0.871 57.468 58.200 0.232 0.000 0.973 566 S CB 2.270 65.595 63.200 0.209 0.000 1.121 566 S HN 0.596 nan 8.310 nan 0.000 0.523 567 D N 0.617 121.118 120.400 0.168 0.000 2.185 567 D HA 0.446 5.100 4.640 0.023 0.000 0.247 567 D C -0.500 175.892 176.300 0.152 0.000 1.027 567 D CA -0.354 53.722 54.000 0.126 0.000 0.861 567 D CB 2.084 42.930 40.800 0.077 0.000 1.202 567 D HN 0.443 nan 8.370 nan 0.000 0.453 568 V N 2.919 122.882 119.914 0.083 0.000 2.572 568 V HA 0.018 4.152 4.120 0.023 0.000 0.291 568 V C 0.561 176.714 176.094 0.098 0.000 1.039 568 V CA -0.273 62.076 62.300 0.082 0.000 1.055 568 V CB 0.926 32.731 31.823 -0.030 0.000 0.969 568 V HN 0.376 nan 8.190 nan 0.000 0.482 569 K N 6.010 126.478 120.400 0.114 0.000 2.310 569 K HA 0.290 4.624 4.320 0.023 0.000 0.290 569 K C -0.656 176.009 176.600 0.108 0.000 1.077 569 K CA 0.054 56.401 56.287 0.100 0.000 0.922 569 K CB -0.108 32.448 32.500 0.093 0.000 1.057 569 K HN 0.467 nan 8.250 nan 0.000 0.479 570 I N 4.427 125.063 120.570 0.110 0.000 2.428 570 I HA 0.230 4.414 4.170 0.023 0.000 0.296 570 I C 1.160 177.353 176.117 0.125 0.000 0.985 570 I CA -0.224 61.158 61.300 0.136 0.000 1.260 570 I CB 1.350 39.436 38.000 0.144 0.000 1.389 570 I HN 0.956 nan 8.210 nan 0.000 0.484 571 T N -0.454 114.192 114.554 0.153 0.000 3.400 571 T HA 0.013 4.377 4.350 0.023 0.000 0.228 571 T C 1.167 175.931 174.700 0.107 0.000 0.992 571 T CA 0.796 62.963 62.100 0.111 0.000 1.222 571 T CB 0.140 69.059 68.868 0.086 0.000 1.236 571 T HN 0.566 nan 8.240 nan 0.000 0.357 572 T N -1.015 113.623 114.554 0.139 0.000 2.959 572 T HA 0.432 4.796 4.350 0.023 0.000 0.254 572 T C 0.112 174.940 174.700 0.212 0.000 1.003 572 T CA -0.290 61.886 62.100 0.126 0.000 0.950 572 T CB 0.134 69.027 68.868 0.042 0.000 1.090 572 T HN 0.240 nan 8.240 nan 0.000 0.503 573 L N 4.340 125.744 121.223 0.302 0.000 2.435 573 L HA 0.559 4.913 4.340 0.023 0.000 0.253 573 L C -2.665 174.452 176.870 0.412 0.000 1.087 573 L CA -2.678 52.365 54.840 0.338 0.000 0.950 573 L CB 1.155 43.412 42.059 0.329 0.000 1.304 573 L HN -0.059 nan 8.230 nan 0.000 0.453 574 P HA 0.291 nan 4.420 nan 0.000 0.272 574 P C -2.767 174.742 177.300 0.348 0.000 1.223 574 P CA -1.171 62.113 63.100 0.306 0.000 0.784 574 P CB -0.054 31.740 31.700 0.158 0.000 0.923 575 P HA 0.331 nan 4.420 nan 0.000 0.274 575 P C -2.167 174.838 177.300 -0.493 0.000 1.246 575 P CA -0.278 62.320 63.100 -0.837 0.000 0.795 575 P CB 1.763 32.989 31.700 -0.790 0.000 1.006 576 A N 0.000 122.413 122.820 -0.678 0.000 2.254 576 A HA 0.000 4.334 4.320 0.023 0.000 0.244 576 A CA 0.000 51.828 52.037 -0.348 0.000 0.836 576 A CB 0.000 18.906 19.000 -0.156 0.000 0.831 576 A HN 0.000 nan 8.150 nan 0.000 0.486