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 2hxy_1_D DATA FIRST_RESID 38 DATA SEQUENCE PTFDTMGLRE DLLRGIYAYG FEKPSAIQQR AIKQIIKGRD VIAQSQSGTG DATA SEQUENCE KTATFSISVL QCLDIQVRET QALILAPTRE LAVQIQKGLL ALGDYMNVQC DATA SEQUENCE HACIGGTNVG EDIRKLDYGQ HVVAGTPGRV FDMIRRRSLR TRAIKMLVLD DATA SEQUENCE EADEMLNKGF KEQIYDVYRY LPPATQVVLI SATLPHEILE MTNKFMTDPI DATA SEQUENCE RILVKRDELT LEGIKQFFVA VEREEWKFDT LCDLYDTLTI TQAVIFCNTK DATA SEQUENCE RKVDWLTEKM REANFTVSSM HGDMPQKERE SIMKEFRSGA SRVLISTDVW DATA SEQUENCE ARGLDVPQVS LIINYDLPNN RELYIHRIGR SGRYGRKGVA INFVKNDDIR DATA SEQUENCE ILRDIEQYYS TQIDEMPMNV ADLILE 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 38 P HA 0.000 nan 4.420 nan 0.000 0.216 38 P C 0.000 177.226 177.300 -0.124 0.000 1.155 38 P CA 0.000 63.059 63.100 -0.068 0.000 0.800 38 P CB 0.000 31.657 31.700 -0.072 0.000 0.726 39 T N -2.283 112.205 114.554 -0.110 0.000 2.742 39 T HA 0.618 4.967 4.350 -0.001 0.000 0.282 39 T C 0.452 175.054 174.700 -0.163 0.000 1.025 39 T CA -0.578 61.425 62.100 -0.162 0.000 1.020 39 T CB 0.796 69.678 68.868 0.023 0.000 1.317 39 T HN -0.064 nan 8.240 nan 0.000 0.538 40 F N 0.754 120.745 119.950 0.070 0.000 2.615 40 F HA 0.150 4.676 4.527 -0.001 0.000 0.297 40 F C 2.159 178.007 175.800 0.080 0.000 1.124 40 F CA 0.129 58.154 58.000 0.043 0.000 1.451 40 F CB -0.521 38.450 39.000 -0.049 0.000 1.103 40 F HN 0.546 nan 8.300 nan 0.000 0.569 41 D N -0.219 120.349 120.400 0.280 0.000 2.104 41 D HA -0.169 4.470 4.640 -0.001 0.000 0.194 41 D C 2.238 178.621 176.300 0.138 0.000 0.994 41 D CA 2.209 56.336 54.000 0.212 0.000 0.830 41 D CB -0.731 40.177 40.800 0.180 0.000 0.959 41 D HN 0.305 nan 8.370 nan 0.000 0.452 42 T N -1.575 113.041 114.554 0.104 0.000 3.215 42 T HA 0.047 4.397 4.350 -0.001 0.000 0.254 42 T C 1.598 176.344 174.700 0.076 0.000 1.149 42 T CA 0.123 62.267 62.100 0.073 0.000 1.042 42 T CB -0.305 68.592 68.868 0.048 0.000 0.966 42 T HN 0.061 nan 8.240 nan 0.000 0.534 43 M N 0.623 120.286 119.600 0.105 0.000 2.428 43 M HA 0.310 4.790 4.480 -0.001 0.000 0.239 43 M C 1.550 177.900 176.300 0.083 0.000 1.121 43 M CA 0.270 55.630 55.300 0.100 0.000 1.019 43 M CB 0.061 32.749 32.600 0.147 0.000 1.485 43 M HN 0.462 nan 8.290 nan 0.000 0.484 44 G N 2.761 111.608 108.800 0.079 0.000 2.338 44 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.296 44 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.296 44 G C -0.228 174.704 174.900 0.053 0.000 1.040 44 G CA 0.000 45.137 45.100 0.060 0.000 1.004 44 G HN 0.437 nan 8.290 nan 0.000 0.509 45 L N -0.061 121.200 121.223 0.062 0.000 2.357 45 L HA 0.511 4.851 4.340 -0.001 0.000 0.273 45 L C 1.615 178.502 176.870 0.029 0.000 1.080 45 L CA -1.324 53.537 54.840 0.036 0.000 0.803 45 L CB 0.790 42.865 42.059 0.026 0.000 1.174 45 L HN 0.480 nan 8.230 nan 0.000 0.443 46 R N 1.103 121.609 120.500 0.009 0.000 2.756 46 R HA 0.008 4.348 4.340 -0.001 0.000 0.264 46 R C 0.302 176.613 176.300 0.020 0.000 1.026 46 R CA -0.319 55.787 56.100 0.010 0.000 1.121 46 R CB 0.633 30.930 30.300 -0.006 0.000 0.999 46 R HN 0.653 nan 8.270 nan 0.000 0.449 47 E N 1.312 121.527 120.200 0.025 0.000 2.012 47 E HA -0.244 4.106 4.350 -0.001 0.000 0.197 47 E C 1.416 178.041 176.600 0.042 0.000 1.007 47 E CA 1.928 58.349 56.400 0.035 0.000 0.816 47 E CB -0.167 29.547 29.700 0.022 0.000 0.762 47 E HN 0.822 nan 8.360 nan 0.000 0.451 48 D N 0.925 121.347 120.400 0.035 0.000 2.322 48 D HA -0.209 4.431 4.640 -0.001 0.000 0.210 48 D C 1.950 178.311 176.300 0.102 0.000 0.983 48 D CA 0.839 54.881 54.000 0.071 0.000 0.902 48 D CB -0.190 40.647 40.800 0.063 0.000 0.905 48 D HN 0.165 nan 8.370 nan 0.000 0.483 49 L N -0.320 120.926 121.223 0.038 0.000 2.200 49 L HA 0.121 4.461 4.340 -0.001 0.000 0.200 49 L C 2.118 178.979 176.870 -0.015 0.000 1.072 49 L CA 0.667 55.500 54.840 -0.012 0.000 0.787 49 L CB -0.876 41.143 42.059 -0.066 0.000 0.957 49 L HN -0.030 nan 8.230 nan 0.000 0.459 50 L N 0.262 121.489 121.223 0.007 0.000 2.129 50 L HA -0.200 4.140 4.340 -0.001 0.000 0.212 50 L C 2.757 179.729 176.870 0.169 0.000 1.087 50 L CA 1.811 56.672 54.840 0.034 0.000 0.757 50 L CB -0.763 41.373 42.059 0.129 0.000 0.896 50 L HN 0.388 nan 8.230 nan 0.000 0.434 51 R N -1.001 119.609 120.500 0.183 0.000 2.062 51 R HA -0.119 4.220 4.340 -0.001 0.000 0.231 51 R C 2.205 178.713 176.300 0.347 0.000 1.136 51 R CA 1.383 57.630 56.100 0.244 0.000 0.948 51 R CB -0.808 29.554 30.300 0.103 0.000 0.845 51 R HN 0.490 nan 8.270 nan 0.000 0.430 52 G N 1.380 110.379 108.800 0.332 0.000 2.440 52 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.218 52 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.218 52 G C 1.523 176.468 174.900 0.074 0.000 1.154 52 G CA 1.019 46.214 45.100 0.159 0.000 0.767 52 G HN 0.283 nan 8.290 nan 0.000 0.552 53 I N -0.641 119.904 120.570 -0.042 0.000 2.099 53 I HA -0.245 3.925 4.170 -0.001 0.000 0.239 53 I C 2.514 178.637 176.117 0.010 0.000 1.066 53 I CA 1.378 62.576 61.300 -0.171 0.000 1.324 53 I CB -0.354 37.318 38.000 -0.548 0.000 1.037 53 I HN 0.133 nan 8.210 nan 0.000 0.401 54 Y N 0.658 121.029 120.300 0.119 0.000 2.242 54 Y HA -0.173 4.376 4.550 -0.001 0.000 0.291 54 Y C 2.591 178.585 175.900 0.157 0.000 1.137 54 Y CA 1.230 59.422 58.100 0.154 0.000 1.181 54 Y CB -0.752 37.783 38.460 0.126 0.000 0.989 54 Y HN 0.140 nan 8.280 nan 0.000 0.527 55 A N -1.125 121.894 122.820 0.332 0.000 1.969 55 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 55 A C 1.969 179.686 177.584 0.222 0.000 1.169 55 A CA 1.314 53.514 52.037 0.273 0.000 0.635 55 A CB -1.218 17.997 19.000 0.359 0.000 0.810 55 A HN 0.566 nan 8.150 nan 0.000 0.445 56 Y N 0.161 120.504 120.300 0.071 0.000 2.497 56 Y HA 0.163 4.713 4.550 -0.001 0.000 0.292 56 Y C 1.729 177.680 175.900 0.085 0.000 1.137 56 Y CA 1.035 59.154 58.100 0.032 0.000 1.285 56 Y CB -0.181 38.264 38.460 -0.025 0.000 0.991 56 Y HN 0.483 nan 8.280 nan 0.000 0.556 57 G N -1.084 107.797 108.800 0.135 0.000 2.213 57 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.226 57 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.226 57 G C 0.184 175.159 174.900 0.125 0.000 0.992 57 G CA -0.068 45.071 45.100 0.065 0.000 0.632 57 G HN 0.292 nan 8.290 nan 0.000 0.511 58 F N 2.914 122.898 119.950 0.056 0.000 2.512 58 F HA 0.445 4.971 4.527 -0.001 0.000 0.350 58 F C 1.454 177.340 175.800 0.142 0.000 1.212 58 F CA 0.461 58.529 58.000 0.113 0.000 1.099 58 F CB 0.393 39.491 39.000 0.163 0.000 1.238 58 F HN 0.267 nan 8.300 nan 0.000 0.600 59 E N 2.927 123.156 120.200 0.048 0.000 2.340 59 E HA 0.023 4.373 4.350 -0.001 0.000 0.194 59 E C 0.205 176.873 176.600 0.113 0.000 0.996 59 E CA 0.287 56.800 56.400 0.189 0.000 0.869 59 E CB 0.479 30.309 29.700 0.217 0.000 0.835 59 E HN 0.372 nan 8.360 nan 0.000 0.493 60 K N 1.451 121.769 120.400 -0.138 0.000 2.565 60 K HA 0.232 4.552 4.320 -0.001 0.000 0.251 60 K C -2.863 173.485 176.600 -0.419 0.000 0.956 60 K CA -1.885 54.240 56.287 -0.270 0.000 0.809 60 K CB 2.143 34.544 32.500 -0.166 0.000 1.267 60 K HN -0.174 nan 8.250 nan 0.000 0.438 61 P HA 0.078 nan 4.420 nan 0.000 0.282 61 P C -0.281 176.931 177.300 -0.147 0.000 1.249 61 P CA -0.369 62.576 63.100 -0.258 0.000 0.806 61 P CB 1.696 33.057 31.700 -0.565 0.000 0.984 62 S N 1.106 116.801 115.700 -0.008 0.000 2.598 62 S HA 0.225 4.695 4.470 -0.001 0.000 0.256 62 S C 1.654 176.242 174.600 -0.020 0.000 1.350 62 S CA 0.275 58.469 58.200 -0.009 0.000 0.984 62 S CB -0.062 63.164 63.200 0.044 0.000 0.930 62 S HN 0.521 nan 8.310 nan 0.000 0.577 63 A N 1.757 124.570 122.820 -0.011 0.000 1.872 63 A HA 0.019 4.338 4.320 -0.001 0.000 0.214 63 A C 2.107 179.697 177.584 0.011 0.000 1.187 63 A CA 1.621 53.653 52.037 -0.008 0.000 0.614 63 A CB -1.036 17.962 19.000 -0.003 0.000 0.826 63 A HN 1.036 nan 8.150 nan 0.000 0.442 64 I N -1.080 119.504 120.570 0.023 0.000 2.286 64 I HA -0.222 3.948 4.170 -0.001 0.000 0.245 64 I C 2.078 178.223 176.117 0.047 0.000 1.104 64 I CA 2.110 63.431 61.300 0.034 0.000 1.397 64 I CB -0.915 37.108 38.000 0.037 0.000 1.072 64 I HN 0.371 nan 8.210 nan 0.000 0.417 65 Q N 0.495 120.331 119.800 0.060 0.000 2.152 65 Q HA -0.309 4.030 4.340 -0.001 0.000 0.206 65 Q C 2.357 178.406 176.000 0.082 0.000 0.985 65 Q CA 2.138 57.994 55.803 0.088 0.000 0.863 65 Q CB -0.447 28.374 28.738 0.138 0.000 0.904 65 Q HN 0.760 nan 8.270 nan 0.000 0.422 66 Q N 0.992 120.821 119.800 0.048 0.000 2.096 66 Q HA -0.232 4.108 4.340 -0.001 0.000 0.204 66 Q C 2.144 178.175 176.000 0.051 0.000 0.982 66 Q CA 1.424 57.249 55.803 0.037 0.000 0.850 66 Q CB 0.008 28.740 28.738 -0.010 0.000 0.901 66 Q HN 0.236 nan 8.270 nan 0.000 0.422 67 R N -0.286 120.240 120.500 0.044 0.000 2.080 67 R HA -0.190 4.150 4.340 -0.001 0.000 0.236 67 R C 2.200 178.531 176.300 0.051 0.000 1.137 67 R CA 1.484 57.611 56.100 0.045 0.000 0.943 67 R CB -0.497 29.827 30.300 0.041 0.000 0.846 67 R HN 0.345 nan 8.270 nan 0.000 0.431 68 A N 1.305 124.158 122.820 0.055 0.000 1.869 68 A HA -0.240 4.080 4.320 -0.001 0.000 0.218 68 A C 2.198 179.819 177.584 0.062 0.000 1.203 68 A CA 2.019 54.090 52.037 0.057 0.000 0.638 68 A CB -0.833 18.207 19.000 0.068 0.000 0.831 68 A HN 0.413 nan 8.150 nan 0.000 0.450 69 I N -0.989 119.627 120.570 0.076 0.000 2.058 69 I HA -0.311 3.859 4.170 -0.001 0.000 0.235 69 I C 2.561 178.717 176.117 0.065 0.000 1.053 69 I CA 2.085 63.432 61.300 0.078 0.000 1.313 69 I CB -0.437 37.633 38.000 0.118 0.000 1.039 69 I HN 0.311 nan 8.210 nan 0.000 0.396 70 K N 0.753 121.194 120.400 0.068 0.000 2.077 70 K HA -0.274 4.046 4.320 -0.001 0.000 0.213 70 K C 2.170 178.799 176.600 0.048 0.000 1.051 70 K CA 1.831 58.153 56.287 0.058 0.000 0.929 70 K CB -0.270 32.262 32.500 0.054 0.000 0.715 70 K HN 0.251 nan 8.250 nan 0.000 0.451 71 Q N -0.195 119.633 119.800 0.046 0.000 2.119 71 Q HA -0.036 4.303 4.340 -0.001 0.000 0.201 71 Q C 2.310 178.329 176.000 0.032 0.000 0.972 71 Q CA 1.483 57.310 55.803 0.040 0.000 0.847 71 Q CB -0.112 28.649 28.738 0.038 0.000 0.903 71 Q HN 0.469 nan 8.270 nan 0.000 0.433 72 I N 0.250 120.839 120.570 0.031 0.000 2.315 72 I HA -0.243 3.927 4.170 -0.001 0.000 0.248 72 I C 2.164 178.292 176.117 0.019 0.000 1.117 72 I CA 0.777 62.090 61.300 0.021 0.000 1.404 72 I CB -0.257 37.759 38.000 0.026 0.000 1.071 72 I HN 0.120 nan 8.210 nan 0.000 0.419 73 I N 0.688 121.273 120.570 0.026 0.000 2.179 73 I HA -0.267 3.902 4.170 -0.001 0.000 0.242 73 I C 2.415 178.545 176.117 0.022 0.000 1.088 73 I CA 1.141 62.453 61.300 0.022 0.000 1.357 73 I CB -0.395 37.622 38.000 0.027 0.000 1.051 73 I HN 0.130 nan 8.210 nan 0.000 0.409 74 K N 0.638 121.055 120.400 0.029 0.000 2.218 74 K HA -0.148 4.172 4.320 -0.001 0.000 0.205 74 K C 1.577 178.193 176.600 0.026 0.000 1.046 74 K CA 1.346 57.651 56.287 0.031 0.000 0.933 74 K CB -0.482 32.042 32.500 0.039 0.000 0.728 74 K HN 0.609 nan 8.250 nan 0.000 0.454 75 G N 0.474 109.286 108.800 0.020 0.000 2.231 75 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.206 75 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.206 75 G C -0.000 174.907 174.900 0.012 0.000 0.996 75 G CA -0.384 44.725 45.100 0.014 0.000 0.645 75 G HN 0.091 nan 8.290 nan 0.000 0.498 76 R N 1.425 121.937 120.500 0.019 0.000 2.698 76 R HA 0.236 4.576 4.340 -0.001 0.000 0.266 76 R C -0.323 175.976 176.300 -0.002 0.000 1.026 76 R CA 0.040 56.149 56.100 0.016 0.000 1.102 76 R CB 0.031 30.347 30.300 0.026 0.000 0.978 76 R HN 0.287 nan 8.270 nan 0.000 0.436 77 D N 0.968 121.363 120.400 -0.009 0.000 2.350 77 D HA 0.199 4.839 4.640 -0.001 0.000 0.249 77 D C -0.271 176.010 176.300 -0.032 0.000 1.119 77 D CA -0.010 53.971 54.000 -0.033 0.000 0.886 77 D CB 1.053 41.831 40.800 -0.037 0.000 1.195 77 D HN 0.007 nan 8.370 nan 0.000 0.437 78 V N 3.120 123.005 119.914 -0.048 0.000 2.823 78 V HA 0.442 4.561 4.120 -0.001 0.000 0.312 78 V C 0.140 176.198 176.094 -0.060 0.000 1.072 78 V CA -0.791 61.485 62.300 -0.039 0.000 0.937 78 V CB 2.150 33.959 31.823 -0.023 0.000 1.013 78 V HN 0.385 nan 8.190 nan 0.000 0.430 79 I N 3.526 124.065 120.570 -0.051 0.000 2.502 79 I HA 0.559 4.729 4.170 -0.001 0.000 0.276 79 I C 0.173 176.257 176.117 -0.054 0.000 1.057 79 I CA -0.357 60.899 61.300 -0.073 0.000 1.163 79 I CB 1.332 39.275 38.000 -0.096 0.000 1.288 79 I HN 0.676 nan 8.210 nan 0.000 0.479 80 A N 5.559 128.353 122.820 -0.043 0.000 2.276 80 A HA 0.468 4.787 4.320 -0.001 0.000 0.316 80 A C -0.243 177.330 177.584 -0.019 0.000 1.229 80 A CA -0.424 51.605 52.037 -0.014 0.000 0.851 80 A CB 0.943 19.952 19.000 0.014 0.000 1.165 80 A HN 0.701 nan 8.150 nan 0.000 0.513 81 Q N 2.180 121.975 119.800 -0.009 0.000 2.294 81 Q HA 0.370 4.710 4.340 -0.001 0.000 0.257 81 Q C 0.350 176.360 176.000 0.016 0.000 0.955 81 Q CA -0.153 55.645 55.803 -0.008 0.000 0.936 81 Q CB 0.673 29.410 28.738 -0.001 0.000 1.188 81 Q HN 0.853 nan 8.270 nan 0.000 0.420 82 S N 3.774 119.484 115.700 0.016 0.000 2.572 82 S HA 0.097 4.566 4.470 -0.001 0.000 0.279 82 S C -0.685 173.935 174.600 0.034 0.000 1.341 82 S CA -0.289 57.931 58.200 0.035 0.000 1.043 82 S CB 0.965 64.186 63.200 0.035 0.000 0.887 82 S HN 0.756 nan 8.310 nan 0.000 0.516 83 Q N 2.635 122.460 119.800 0.042 0.000 2.289 83 Q HA 0.349 4.689 4.340 -0.001 0.000 0.270 83 Q C -1.083 174.942 176.000 0.042 0.000 1.038 83 Q CA -0.508 55.318 55.803 0.038 0.000 0.812 83 Q CB 1.768 30.528 28.738 0.037 0.000 1.300 83 Q HN 0.717 nan 8.270 nan 0.000 0.427 84 S N 1.970 117.691 115.700 0.035 0.000 2.887 84 S HA 0.353 4.823 4.470 -0.001 0.000 0.337 84 S C -0.023 174.599 174.600 0.038 0.000 1.209 84 S CA 0.902 59.123 58.200 0.035 0.000 1.186 84 S CB -0.327 62.890 63.200 0.028 0.000 0.925 84 S HN 0.722 nan 8.310 nan 0.000 0.522 85 G N 2.844 111.673 108.800 0.048 0.000 2.588 85 G HA2 0.416 4.375 3.960 -0.001 0.000 0.281 85 G HA3 0.416 4.375 3.960 -0.001 0.000 0.281 85 G C -1.092 173.851 174.900 0.072 0.000 1.223 85 G CA -0.599 44.533 45.100 0.052 0.000 0.871 85 G HN 0.417 nan 8.290 nan 0.000 0.492 86 T N 1.005 115.615 114.554 0.094 0.000 2.780 86 T HA 0.482 4.832 4.350 -0.001 0.000 0.294 86 T C 1.024 175.887 174.700 0.272 0.000 0.949 86 T CA 1.113 63.302 62.100 0.150 0.000 1.074 86 T CB 0.733 69.661 68.868 0.100 0.000 0.910 86 T HN 2.001 nan 8.240 nan 0.000 0.501 87 G N 3.077 112.029 108.800 0.254 0.000 2.266 87 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.269 87 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.269 87 G C 0.843 175.778 174.900 0.059 0.000 0.863 87 G CA 0.373 45.581 45.100 0.181 0.000 1.268 87 G HN 0.659 nan 8.290 nan 0.000 0.426 88 K N -0.251 120.182 120.400 0.055 0.000 2.555 88 K HA 0.104 4.423 4.320 -0.001 0.000 0.193 88 K C 2.327 178.910 176.600 -0.029 0.000 1.032 88 K CA 1.526 57.843 56.287 0.049 0.000 1.004 88 K CB -0.045 32.505 32.500 0.084 0.000 0.804 88 K HN 0.408 nan 8.250 nan 0.000 0.496 89 T N -0.604 113.854 114.554 -0.161 0.000 2.755 89 T HA 0.068 4.418 4.350 -0.001 0.000 0.251 89 T C 1.678 175.859 174.700 -0.864 0.000 1.044 89 T CA 1.056 62.879 62.100 -0.461 0.000 1.154 89 T CB -0.342 68.368 68.868 -0.263 0.000 0.866 89 T HN 0.277 nan 8.240 nan 0.000 0.416 90 A N 1.429 123.903 122.820 -0.578 0.000 1.903 90 A HA -0.231 4.089 4.320 -0.001 0.000 0.219 90 A C 2.466 179.664 177.584 -0.643 0.000 1.191 90 A CA 2.631 54.254 52.037 -0.689 0.000 0.638 90 A CB -1.612 16.908 19.000 -0.801 0.000 0.823 90 A HN 0.500 nan 8.150 nan 0.000 0.451 91 T N 0.157 114.434 114.554 -0.462 0.000 2.620 91 T HA -0.273 4.077 4.350 -0.001 0.000 0.267 91 T C 1.536 176.153 174.700 -0.137 0.000 1.044 91 T CA 2.328 64.304 62.100 -0.207 0.000 1.161 91 T CB -0.620 68.239 68.868 -0.016 0.000 0.862 91 T HN 0.822 nan 8.240 nan 0.000 0.438 92 F N 1.184 121.073 119.950 -0.102 0.000 2.335 92 F HA 0.280 4.807 4.527 -0.000 0.000 0.296 92 F C 2.368 178.095 175.800 -0.121 0.000 1.091 92 F CA 0.349 58.295 58.000 -0.091 0.000 1.399 92 F CB -1.069 37.885 39.000 -0.077 0.000 1.067 92 F HN -0.026 nan 8.300 nan 0.000 0.520 93 S N 1.895 117.211 115.700 -0.641 0.000 2.359 93 S HA -0.145 4.325 4.470 -0.001 0.000 0.224 93 S C 2.142 176.587 174.600 -0.259 0.000 1.035 93 S CA 1.819 59.774 58.200 -0.407 0.000 1.018 93 S CB -0.694 62.136 63.200 -0.617 0.000 0.876 93 S HN 0.459 nan 8.310 nan 0.000 0.448 94 I N 1.448 121.821 120.570 -0.328 0.000 2.194 94 I HA -0.225 3.944 4.170 -0.001 0.000 0.246 94 I C 2.444 178.475 176.117 -0.143 0.000 1.093 94 I CA 0.989 62.123 61.300 -0.276 0.000 1.355 94 I CB -0.525 37.283 38.000 -0.320 0.000 1.046 94 I HN 0.238 nan 8.210 nan 0.000 0.413 95 S N 0.464 116.121 115.700 -0.071 0.000 2.344 95 S HA -0.156 4.314 4.470 -0.001 0.000 0.217 95 S C 2.112 176.707 174.600 -0.009 0.000 1.033 95 S CA 1.386 59.582 58.200 -0.007 0.000 1.017 95 S CB -0.489 62.741 63.200 0.050 0.000 0.941 95 S HN 0.204 nan 8.310 nan 0.000 0.430 96 V N 2.601 122.529 119.914 0.023 0.000 2.220 96 V HA -0.265 3.855 4.120 -0.001 0.000 0.250 96 V C 2.299 178.371 176.094 -0.036 0.000 1.056 96 V CA 1.977 64.285 62.300 0.013 0.000 1.016 96 V CB -0.923 30.934 31.823 0.058 0.000 0.639 96 V HN 0.401 nan 8.190 nan 0.000 0.446 97 L N -0.575 120.605 121.223 -0.072 0.000 1.978 97 L HA -0.329 4.010 4.340 -0.001 0.000 0.218 97 L C 2.719 179.536 176.870 -0.090 0.000 1.075 97 L CA 2.341 57.121 54.840 -0.101 0.000 0.767 97 L CB -0.759 41.215 42.059 -0.141 0.000 0.890 97 L HN 0.426 nan 8.230 nan 0.000 0.434 98 Q N 0.220 119.972 119.800 -0.079 0.000 2.062 98 Q HA -0.220 4.120 4.340 -0.001 0.000 0.209 98 Q C 1.256 177.229 176.000 -0.046 0.000 0.996 98 Q CA 1.872 57.640 55.803 -0.057 0.000 0.859 98 Q CB -0.530 28.184 28.738 -0.040 0.000 0.920 98 Q HN 0.576 nan 8.270 nan 0.000 0.415 99 C N 1.990 121.268 119.300 -0.037 0.000 3.025 99 C HA 0.445 4.905 4.460 -0.001 0.000 0.547 99 C C -0.163 174.803 174.990 -0.039 0.000 1.058 99 C CA -0.701 58.300 59.018 -0.029 0.000 1.164 99 C CB -2.200 25.530 27.740 -0.016 0.000 1.405 99 C HN 0.365 nan 8.230 nan 0.000 0.610 100 L N 0.626 121.814 121.223 -0.058 0.000 2.359 100 L HA 0.538 4.877 4.340 -0.001 0.000 0.256 100 L C -0.697 176.125 176.870 -0.081 0.000 1.026 100 L CA -0.317 54.474 54.840 -0.082 0.000 0.828 100 L CB 2.009 43.980 42.059 -0.148 0.000 1.406 100 L HN 0.056 nan 8.230 nan 0.000 0.413 101 D N 1.439 121.793 120.400 -0.077 0.000 2.434 101 D HA 0.239 4.879 4.640 -0.001 0.000 0.275 101 D C 1.101 177.363 176.300 -0.063 0.000 1.172 101 D CA -0.409 53.562 54.000 -0.048 0.000 0.916 101 D CB 0.830 41.626 40.800 -0.006 0.000 1.041 101 D HN 0.265 nan 8.370 nan 0.000 0.501 102 I N 1.569 122.056 120.570 -0.139 0.000 2.074 102 I HA -0.343 3.826 4.170 -0.001 0.000 0.238 102 I C 2.114 178.279 176.117 0.081 0.000 1.037 102 I CA 1.377 62.581 61.300 -0.159 0.000 1.301 102 I CB -1.283 36.650 38.000 -0.111 0.000 1.016 102 I HN 0.465 nan 8.210 nan 0.000 0.400 103 Q N 0.543 120.368 119.800 0.041 0.000 2.458 103 Q HA -0.116 4.224 4.340 -0.001 0.000 0.215 103 Q C 0.688 176.727 176.000 0.066 0.000 0.989 103 Q CA 0.712 56.546 55.803 0.052 0.000 0.895 103 Q CB -0.862 27.892 28.738 0.026 0.000 0.934 103 Q HN 0.432 nan 8.270 nan 0.000 0.475 104 V N 2.523 122.494 119.914 0.095 0.000 2.239 104 V HA 0.182 4.302 4.120 -0.001 0.000 0.267 104 V C 0.229 176.379 176.094 0.094 0.000 1.056 104 V CA -0.415 61.928 62.300 0.072 0.000 0.830 104 V CB 0.561 32.414 31.823 0.050 0.000 1.090 104 V HN 0.098 nan 8.190 nan 0.000 0.459 105 R N 3.683 124.181 120.500 -0.002 0.000 2.488 105 R HA 0.326 4.665 4.340 -0.001 0.000 0.306 105 R C 0.037 176.217 176.300 -0.201 0.000 1.271 105 R CA 0.227 56.184 56.100 -0.238 0.000 1.022 105 R CB 0.191 30.306 30.300 -0.307 0.000 1.054 105 R HN 0.761 nan 8.270 nan 0.000 0.500 106 E N 0.965 121.075 120.200 -0.150 0.000 2.400 106 E HA 0.058 4.407 4.350 -0.001 0.000 0.285 106 E C -1.205 175.378 176.600 -0.029 0.000 1.005 106 E CA -0.508 55.840 56.400 -0.087 0.000 0.816 106 E CB 1.466 31.143 29.700 -0.037 0.000 1.220 106 E HN 0.200 nan 8.360 nan 0.000 0.426 107 T N 3.736 118.272 114.554 -0.030 0.000 2.704 107 T HA -0.055 4.294 4.350 -0.001 0.000 0.271 107 T C 0.669 175.382 174.700 0.022 0.000 1.000 107 T CA 0.928 63.031 62.100 0.005 0.000 1.216 107 T CB 0.231 69.100 68.868 0.002 0.000 0.961 107 T HN 0.408 nan 8.240 nan 0.000 0.515 108 Q N 1.309 121.135 119.800 0.042 0.000 2.378 108 Q HA 0.372 4.712 4.340 -0.001 0.000 0.229 108 Q C 0.620 176.627 176.000 0.012 0.000 0.882 108 Q CA -0.006 55.815 55.803 0.029 0.000 0.936 108 Q CB 0.812 29.573 28.738 0.039 0.000 1.092 108 Q HN 0.705 nan 8.270 nan 0.000 0.535 109 A N 1.216 124.045 122.820 0.014 0.000 2.422 109 A HA 0.624 4.944 4.320 -0.001 0.000 0.302 109 A C -1.795 175.787 177.584 -0.003 0.000 1.041 109 A CA -0.549 51.486 52.037 -0.002 0.000 0.708 109 A CB 1.453 20.452 19.000 -0.002 0.000 1.257 109 A HN 0.132 nan 8.150 nan 0.000 0.414 110 L N 3.058 124.268 121.223 -0.022 0.000 2.356 110 L HA 0.761 5.101 4.340 -0.001 0.000 0.277 110 L C -1.264 175.570 176.870 -0.060 0.000 0.996 110 L CA -0.328 54.498 54.840 -0.025 0.000 0.822 110 L CB 1.132 43.184 42.059 -0.013 0.000 1.256 110 L HN 0.599 nan 8.230 nan 0.000 0.413 111 I N 5.976 126.511 120.570 -0.060 0.000 2.406 111 I HA 0.414 4.584 4.170 -0.001 0.000 0.290 111 I C -0.789 175.266 176.117 -0.104 0.000 0.999 111 I CA -0.613 60.623 61.300 -0.107 0.000 1.124 111 I CB 1.615 39.572 38.000 -0.072 0.000 1.289 111 I HN 0.444 nan 8.210 nan 0.000 0.441 112 L N 5.806 126.943 121.223 -0.143 0.000 2.329 112 L HA 0.869 5.209 4.340 -0.001 0.000 0.279 112 L C -0.095 176.669 176.870 -0.176 0.000 1.014 112 L CA -0.575 54.181 54.840 -0.140 0.000 0.814 112 L CB 1.750 43.729 42.059 -0.133 0.000 1.257 112 L HN 0.667 nan 8.230 nan 0.000 0.424 113 A N 3.795 126.505 122.820 -0.183 0.000 2.469 113 A HA 0.783 5.103 4.320 -0.001 0.000 0.299 113 A C -2.256 175.156 177.584 -0.287 0.000 1.098 113 A CA -1.277 50.648 52.037 -0.186 0.000 0.737 113 A CB 1.678 20.613 19.000 -0.109 0.000 1.312 113 A HN 0.548 nan 8.150 nan 0.000 0.414 114 P HA 0.016 nan 4.420 nan 0.000 0.233 114 P C 0.371 177.552 177.300 -0.199 0.000 1.167 114 P CA 1.409 64.307 63.100 -0.336 0.000 0.770 114 P CB 0.053 31.648 31.700 -0.176 0.000 0.837 115 T N -4.582 109.902 114.554 -0.116 0.000 2.923 115 T HA 0.432 4.782 4.350 -0.001 0.000 0.311 115 T C 0.929 175.612 174.700 -0.030 0.000 1.183 115 T CA -0.926 61.152 62.100 -0.037 0.000 1.020 115 T CB 2.204 71.067 68.868 -0.007 0.000 1.165 115 T HN -0.212 nan 8.240 nan 0.000 0.482 116 R N 0.797 121.296 120.500 -0.002 0.000 2.097 116 R HA -0.147 4.193 4.340 -0.001 0.000 0.236 116 R C 1.993 178.285 176.300 -0.014 0.000 1.135 116 R CA 2.137 58.234 56.100 -0.005 0.000 0.934 116 R CB -0.525 29.782 30.300 0.013 0.000 0.846 116 R HN 0.702 nan 8.270 nan 0.000 0.431 117 E N 0.793 120.992 120.200 -0.003 0.000 2.068 117 E HA -0.242 4.107 4.350 -0.001 0.000 0.207 117 E C 1.819 178.414 176.600 -0.008 0.000 1.032 117 E CA 1.361 57.760 56.400 -0.002 0.000 0.839 117 E CB -0.496 29.207 29.700 0.005 0.000 0.758 117 E HN 0.126 nan 8.360 nan 0.000 0.457 118 L N 0.336 121.553 121.223 -0.009 0.000 2.079 118 L HA -0.102 4.238 4.340 -0.001 0.000 0.210 118 L C 2.030 178.891 176.870 -0.014 0.000 1.081 118 L CA 2.125 56.961 54.840 -0.008 0.000 0.752 118 L CB -1.006 41.046 42.059 -0.011 0.000 0.896 118 L HN 0.144 nan 8.230 nan 0.000 0.433 119 A N -1.065 121.736 122.820 -0.032 0.000 1.892 119 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 119 A C 2.264 179.822 177.584 -0.043 0.000 1.188 119 A CA 2.299 54.310 52.037 -0.043 0.000 0.631 119 A CB -1.164 17.799 19.000 -0.060 0.000 0.822 119 A HN 0.320 nan 8.150 nan 0.000 0.447 120 V N 0.011 119.900 119.914 -0.042 0.000 2.261 120 V HA -0.356 3.764 4.120 -0.001 0.000 0.246 120 V C 2.628 178.706 176.094 -0.027 0.000 1.047 120 V CA 2.273 64.548 62.300 -0.042 0.000 1.015 120 V CB -1.186 30.620 31.823 -0.029 0.000 0.642 120 V HN 0.662 nan 8.190 nan 0.000 0.446 121 Q N -0.269 119.523 119.800 -0.014 0.000 2.082 121 Q HA -0.270 4.070 4.340 -0.001 0.000 0.211 121 Q C 2.269 178.257 176.000 -0.020 0.000 1.002 121 Q CA 2.412 58.211 55.803 -0.007 0.000 0.868 121 Q CB -0.494 28.246 28.738 0.004 0.000 0.931 121 Q HN 0.587 nan 8.270 nan 0.000 0.414 122 I N 0.615 121.178 120.570 -0.011 0.000 2.185 122 I HA -0.371 3.798 4.170 -0.001 0.000 0.246 122 I C 2.755 178.847 176.117 -0.042 0.000 1.088 122 I CA 1.661 62.957 61.300 -0.008 0.000 1.347 122 I CB -0.500 37.538 38.000 0.063 0.000 1.041 122 I HN 0.406 nan 8.210 nan 0.000 0.415 123 Q N 1.700 121.477 119.800 -0.039 0.000 1.965 123 Q HA -0.228 4.112 4.340 -0.001 0.000 0.200 123 Q C 2.225 178.192 176.000 -0.055 0.000 0.981 123 Q CA 1.521 57.297 55.803 -0.045 0.000 0.834 123 Q CB -0.039 28.671 28.738 -0.047 0.000 0.900 123 Q HN 0.363 nan 8.270 nan 0.000 0.426 124 K N -0.298 120.078 120.400 -0.040 0.000 2.127 124 K HA -0.192 4.128 4.320 -0.001 0.000 0.208 124 K C 1.983 178.546 176.600 -0.062 0.000 1.047 124 K CA 1.260 57.528 56.287 -0.032 0.000 0.927 124 K CB -0.365 32.130 32.500 -0.008 0.000 0.716 124 K HN 0.469 nan 8.250 nan 0.000 0.450 125 G N 1.079 109.822 108.800 -0.094 0.000 2.394 125 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.214 125 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.214 125 G C 1.479 176.193 174.900 -0.309 0.000 1.176 125 G CA 0.208 45.188 45.100 -0.199 0.000 0.786 125 G HN 0.092 nan 8.290 nan 0.000 0.533 126 L N -0.062 121.023 121.223 -0.229 0.000 2.013 126 L HA -0.088 4.252 4.340 -0.001 0.000 0.212 126 L C 2.970 179.721 176.870 -0.199 0.000 1.073 126 L CA 0.871 55.579 54.840 -0.220 0.000 0.753 126 L CB -0.305 41.678 42.059 -0.127 0.000 0.890 126 L HN 0.213 nan 8.230 nan 0.000 0.432 127 L N -0.833 120.306 121.223 -0.141 0.000 2.046 127 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 127 L C 2.778 179.553 176.870 -0.158 0.000 1.077 127 L CA 1.306 56.077 54.840 -0.116 0.000 0.747 127 L CB -0.688 41.331 42.059 -0.066 0.000 0.896 127 L HN 0.250 nan 8.230 nan 0.000 0.432 128 A N -0.363 122.354 122.820 -0.171 0.000 1.972 128 A HA -0.131 4.189 4.320 -0.001 0.000 0.219 128 A C 2.226 179.650 177.584 -0.267 0.000 1.169 128 A CA 1.370 53.308 52.037 -0.165 0.000 0.635 128 A CB -0.565 18.402 19.000 -0.055 0.000 0.810 128 A HN 0.379 nan 8.150 nan 0.000 0.446 129 L N -1.405 119.584 121.223 -0.390 0.000 2.179 129 L HA 0.039 4.379 4.340 -0.001 0.000 0.208 129 L C 2.227 178.937 176.870 -0.268 0.000 1.096 129 L CA 0.924 55.520 54.840 -0.407 0.000 0.779 129 L CB -0.096 41.647 42.059 -0.526 0.000 0.922 129 L HN 0.466 nan 8.230 nan 0.000 0.443 130 G N -2.068 106.593 108.800 -0.232 0.000 3.502 130 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.267 130 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.267 130 G C 0.790 175.586 174.900 -0.175 0.000 1.090 130 G CA -0.169 44.830 45.100 -0.167 0.000 0.795 130 G HN 0.106 nan 8.290 nan 0.000 0.535 131 D N 0.844 121.070 120.400 -0.289 0.000 2.220 131 D HA -0.206 4.433 4.640 -0.001 0.000 0.198 131 D C 1.024 177.149 176.300 -0.291 0.000 1.001 131 D CA 1.041 54.831 54.000 -0.351 0.000 0.875 131 D CB 0.051 40.515 40.800 -0.561 0.000 0.921 131 D HN 0.406 nan 8.370 nan 0.000 0.454 132 Y N -0.955 119.334 120.300 -0.018 0.000 2.470 132 Y HA 0.302 4.852 4.550 -0.001 0.000 0.284 132 Y C 1.528 177.415 175.900 -0.022 0.000 1.188 132 Y CA 0.097 58.190 58.100 -0.011 0.000 1.269 132 Y CB -0.256 38.202 38.460 -0.004 0.000 1.094 132 Y HN 0.019 nan 8.280 nan 0.000 0.518 133 M N -0.944 118.692 119.600 0.059 0.000 2.306 133 M HA 0.143 4.623 4.480 -0.001 0.000 0.292 133 M C 0.275 176.574 176.300 -0.001 0.000 1.018 133 M CA -0.087 55.221 55.300 0.012 0.000 1.007 133 M CB 0.209 32.782 32.600 -0.045 0.000 1.510 133 M HN 0.126 nan 8.290 nan 0.000 0.537 134 N N 1.815 120.526 118.700 0.018 0.000 2.686 134 N HA -0.153 4.586 4.740 -0.001 0.000 0.261 134 N C -1.005 174.523 175.510 0.030 0.000 1.001 134 N CA 0.249 53.317 53.050 0.029 0.000 0.764 134 N CB -0.512 38.002 38.487 0.046 0.000 0.898 134 N HN 0.298 nan 8.380 nan 0.000 0.544 135 V N 0.985 120.904 119.914 0.009 0.000 2.612 135 V HA 0.539 4.659 4.120 -0.001 0.000 0.301 135 V C -0.391 175.765 176.094 0.102 0.000 1.046 135 V CA -0.547 61.781 62.300 0.046 0.000 0.946 135 V CB 1.734 33.525 31.823 -0.052 0.000 1.003 135 V HN 0.330 nan 8.190 nan 0.000 0.459 136 Q N 4.998 124.937 119.800 0.231 0.000 2.290 136 Q HA 0.486 4.826 4.340 -0.001 0.000 0.259 136 Q C -0.739 175.297 176.000 0.059 0.000 0.941 136 Q CA -0.118 55.707 55.803 0.037 0.000 0.912 136 Q CB 1.319 29.933 28.738 -0.206 0.000 1.244 136 Q HN 0.837 nan 8.270 nan 0.000 0.441 137 C N 3.245 122.574 119.300 0.048 0.000 2.608 137 C HA 0.675 5.134 4.460 -0.001 0.000 0.325 137 C C -1.287 173.769 174.990 0.110 0.000 1.147 137 C CA -0.346 58.709 59.018 0.061 0.000 1.359 137 C CB 1.029 28.785 27.740 0.026 0.000 1.912 137 C HN 1.006 nan 8.230 nan 0.000 0.466 138 H N 3.007 122.073 119.070 -0.007 0.000 2.821 138 H HA 0.783 5.339 4.556 -0.001 0.000 0.373 138 H C -0.538 174.790 175.328 0.001 0.000 1.165 138 H CA 0.442 56.489 56.048 -0.001 0.000 1.154 138 H CB 2.039 31.802 29.762 0.001 0.000 1.765 138 H HN 1.015 nan 8.280 nan 0.000 0.549 139 A N 2.797 125.145 122.820 -0.786 0.000 2.318 139 A HA 0.540 4.860 4.320 -0.001 0.000 0.324 139 A C -0.689 176.449 177.584 -0.743 0.000 1.170 139 A CA -0.562 51.152 52.037 -0.538 0.000 0.810 139 A CB 0.195 19.020 19.000 -0.291 0.000 1.198 139 A HN 0.762 nan 8.150 nan 0.000 0.484 140 C N 1.757 120.874 119.300 -0.306 0.000 2.365 140 C HA 0.886 5.346 4.460 -0.001 0.000 0.351 140 C C 0.336 175.297 174.990 -0.048 0.000 1.240 140 C CA -0.015 58.934 59.018 -0.114 0.000 2.062 140 C CB -0.870 26.878 27.740 0.014 0.000 2.387 140 C HN 0.871 nan 8.230 nan 0.000 0.537 141 I N 0.291 120.865 120.570 0.007 0.000 1.568 141 I HA 0.404 4.574 4.170 -0.001 0.000 0.312 141 I C 0.457 176.594 176.117 0.032 0.000 3.174 141 I CA 0.796 62.109 61.300 0.022 0.000 1.046 141 I CB 0.190 38.197 38.000 0.012 0.000 2.548 141 I HN 0.895 nan 8.210 nan 0.000 0.694 142 G N 1.278 110.097 108.800 0.033 0.000 3.435 142 G HA2 0.338 4.298 3.960 -0.001 0.000 0.197 142 G HA3 0.338 4.298 3.960 -0.001 0.000 0.197 142 G C 1.206 176.123 174.900 0.028 0.000 1.497 142 G CA 1.000 46.118 45.100 0.031 0.000 1.043 142 G HN 2.323 nan 8.290 nan 0.000 0.466 143 G N -0.944 107.873 108.800 0.029 0.000 2.579 143 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.222 143 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.222 143 G C 1.379 176.289 174.900 0.018 0.000 1.201 143 G CA 1.745 46.858 45.100 0.021 0.000 0.710 143 G HN 1.659 nan 8.290 nan 0.000 0.516 144 T N 0.881 115.446 114.554 0.019 0.000 3.085 144 T HA 0.094 4.444 4.350 -0.001 0.000 0.263 144 T C 1.659 176.370 174.700 0.018 0.000 1.127 144 T CA 1.304 63.413 62.100 0.015 0.000 1.103 144 T CB -0.112 68.765 68.868 0.015 0.000 0.921 144 T HN 0.500 nan 8.240 nan 0.000 0.510 145 N N 1.106 119.822 118.700 0.026 0.000 2.197 145 N HA -0.018 4.721 4.740 -0.001 0.000 0.201 145 N C 1.980 177.512 175.510 0.036 0.000 1.148 145 N CA 0.427 53.498 53.050 0.035 0.000 0.883 145 N CB 0.498 39.017 38.487 0.052 0.000 1.012 145 N HN 0.306 nan 8.380 nan 0.000 0.507 146 V N -0.707 119.225 119.914 0.029 0.000 2.418 146 V HA -0.185 3.934 4.120 -0.001 0.000 0.258 146 V C 2.212 178.313 176.094 0.012 0.000 1.088 146 V CA 2.277 64.591 62.300 0.024 0.000 1.091 146 V CB -1.591 30.239 31.823 0.011 0.000 0.669 146 V HN 0.191 nan 8.190 nan 0.000 0.461 147 G N -0.208 108.595 108.800 0.005 0.000 2.394 147 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.214 147 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.214 147 G C 1.443 176.335 174.900 -0.014 0.000 1.176 147 G CA 0.821 45.917 45.100 -0.007 0.000 0.786 147 G HN 0.582 nan 8.290 nan 0.000 0.533 148 E N 0.865 121.061 120.200 -0.007 0.000 2.150 148 E HA -0.076 4.274 4.350 -0.001 0.000 0.193 148 E C 1.944 178.514 176.600 -0.050 0.000 0.985 148 E CA 1.060 57.446 56.400 -0.024 0.000 0.814 148 E CB -0.285 29.416 29.700 0.001 0.000 0.752 148 E HN 0.255 nan 8.360 nan 0.000 0.466 149 D N -0.068 120.338 120.400 0.011 0.000 2.088 149 D HA -0.159 4.480 4.640 -0.001 0.000 0.191 149 D C 1.950 178.232 176.300 -0.029 0.000 0.992 149 D CA 1.588 55.622 54.000 0.056 0.000 0.831 149 D CB -0.247 40.619 40.800 0.110 0.000 0.973 149 D HN 0.287 nan 8.370 nan 0.000 0.447 150 I N 0.380 120.941 120.570 -0.016 0.000 2.394 150 I HA -0.206 3.964 4.170 -0.001 0.000 0.251 150 I C 2.571 178.662 176.117 -0.044 0.000 1.136 150 I CA 0.612 61.896 61.300 -0.026 0.000 1.425 150 I CB -0.308 37.679 38.000 -0.021 0.000 1.079 150 I HN 0.003 nan 8.210 nan 0.000 0.425 151 R N 1.985 122.454 120.500 -0.053 0.000 2.094 151 R HA -0.229 4.111 4.340 -0.001 0.000 0.239 151 R C 2.223 178.490 176.300 -0.056 0.000 1.137 151 R CA 1.911 57.979 56.100 -0.054 0.000 0.943 151 R CB -0.114 30.150 30.300 -0.059 0.000 0.850 151 R HN 0.295 nan 8.270 nan 0.000 0.433 152 K N 0.349 120.677 120.400 -0.119 0.000 2.062 152 K HA -0.062 4.258 4.320 -0.001 0.000 0.205 152 K C 2.225 178.780 176.600 -0.076 0.000 1.051 152 K CA 1.280 57.496 56.287 -0.118 0.000 0.941 152 K CB -0.177 32.104 32.500 -0.364 0.000 0.719 152 K HN 0.218 nan 8.250 nan 0.000 0.440 153 L N 1.469 122.636 121.223 -0.094 0.000 2.137 153 L HA -0.278 4.062 4.340 -0.001 0.000 0.213 153 L C 1.730 178.584 176.870 -0.026 0.000 1.085 153 L CA 1.177 55.993 54.840 -0.039 0.000 0.760 153 L CB -0.451 41.601 42.059 -0.013 0.000 0.893 153 L HN 0.271 nan 8.230 nan 0.000 0.434 154 D N -1.357 119.039 120.400 -0.008 0.000 2.213 154 D HA -0.181 4.458 4.640 -0.001 0.000 0.205 154 D C 1.890 178.226 176.300 0.061 0.000 0.961 154 D CA 0.732 54.739 54.000 0.011 0.000 0.853 154 D CB -0.085 40.719 40.800 0.007 0.000 0.967 154 D HN 0.297 nan 8.370 nan 0.000 0.496 155 Y N 1.818 122.068 120.300 -0.084 0.000 2.465 155 Y HA 0.063 4.612 4.550 -0.001 0.000 0.289 155 Y C 0.820 176.659 175.900 -0.102 0.000 1.150 155 Y CA 1.008 59.058 58.100 -0.084 0.000 1.293 155 Y CB -0.283 38.124 38.460 -0.088 0.000 0.977 155 Y HN 0.032 nan 8.280 nan 0.000 0.556 156 G N 2.149 110.874 108.800 -0.125 0.000 2.860 156 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.547 156 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.547 156 G C -1.107 173.574 174.900 -0.365 0.000 1.103 156 G CA -0.476 44.474 45.100 -0.250 0.000 1.126 156 G HN 0.203 nan 8.290 nan 0.000 0.490 157 Q N 1.214 120.888 119.800 -0.211 0.000 2.349 157 Q HA 0.336 4.675 4.340 -0.001 0.000 0.254 157 Q C 1.405 177.341 176.000 -0.107 0.000 0.980 157 Q CA -0.442 55.267 55.803 -0.156 0.000 0.924 157 Q CB 0.607 29.332 28.738 -0.022 0.000 1.209 157 Q HN 0.819 nan 8.270 nan 0.000 0.445 158 H N 0.316 119.340 119.070 -0.076 0.000 2.426 158 H HA -0.057 4.499 4.556 -0.001 0.000 0.298 158 H C 0.228 175.534 175.328 -0.036 0.000 1.107 158 H CA 0.845 56.858 56.048 -0.058 0.000 1.298 158 H CB 0.621 30.344 29.762 -0.065 0.000 1.377 158 H HN 0.184 nan 8.280 nan 0.000 0.519 159 V N 0.568 120.541 119.914 0.098 0.000 2.851 159 V HA 0.292 4.412 4.120 -0.001 0.000 0.307 159 V C -0.818 175.302 176.094 0.043 0.000 1.129 159 V CA -0.845 61.488 62.300 0.054 0.000 0.932 159 V CB 2.670 34.516 31.823 0.039 0.000 1.024 159 V HN -0.157 nan 8.190 nan 0.000 0.426 160 V N 2.621 122.553 119.914 0.028 0.000 2.735 160 V HA 0.974 5.093 4.120 -0.001 0.000 0.310 160 V C 0.035 176.126 176.094 -0.006 0.000 1.061 160 V CA -0.338 61.976 62.300 0.024 0.000 0.913 160 V CB 2.011 33.857 31.823 0.038 0.000 1.005 160 V HN 1.127 nan 8.190 nan 0.000 0.428 161 A N 2.295 125.094 122.820 -0.035 0.000 2.498 161 A HA 1.066 5.385 4.320 -0.001 0.000 0.298 161 A C -0.170 177.374 177.584 -0.068 0.000 1.075 161 A CA -0.056 51.952 52.037 -0.048 0.000 0.714 161 A CB 2.159 21.134 19.000 -0.040 0.000 1.299 161 A HN 1.734 nan 8.150 nan 0.000 0.407 162 G N -0.411 108.353 108.800 -0.060 0.000 2.338 162 G HA2 0.600 4.560 3.960 -0.001 0.000 0.295 162 G HA3 0.600 4.560 3.960 -0.001 0.000 0.295 162 G C -0.367 174.500 174.900 -0.056 0.000 1.461 162 G CA 0.177 45.246 45.100 -0.052 0.000 0.817 162 G HN 1.610 nan 8.290 nan 0.000 0.556 163 T N -0.621 113.910 114.554 -0.039 0.000 2.856 163 T HA 0.414 4.764 4.350 -0.001 0.000 0.306 163 T C -1.392 173.316 174.700 0.013 0.000 1.062 163 T CA -0.542 61.505 62.100 -0.090 0.000 1.083 163 T CB 1.602 70.488 68.868 0.030 0.000 0.984 163 T HN 0.146 nan 8.240 nan 0.000 0.542 164 P HA -0.038 nan 4.420 nan 0.000 0.216 164 P C 1.795 179.290 177.300 0.325 0.000 1.150 164 P CA 1.412 64.613 63.100 0.169 0.000 0.837 164 P CB -0.419 31.423 31.700 0.238 0.000 0.786 165 G N 0.152 109.234 108.800 0.470 0.000 2.604 165 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.216 165 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.216 165 G C 1.749 176.802 174.900 0.256 0.000 1.265 165 G CA 1.269 46.576 45.100 0.346 0.000 0.804 165 G HN 0.158 nan 8.290 nan 0.000 0.579 166 R N -0.016 120.599 120.500 0.191 0.000 2.096 166 R HA -0.099 4.241 4.340 -0.001 0.000 0.240 166 R C 2.635 179.000 176.300 0.108 0.000 1.139 166 R CA 1.903 58.073 56.100 0.116 0.000 0.952 166 R CB -0.888 29.463 30.300 0.084 0.000 0.854 166 R HN 0.237 nan 8.270 nan 0.000 0.436 167 V N 0.569 120.559 119.914 0.126 0.000 2.392 167 V HA -0.226 3.894 4.120 -0.001 0.000 0.249 167 V C 2.089 178.285 176.094 0.170 0.000 1.059 167 V CA 1.933 64.302 62.300 0.114 0.000 1.051 167 V CB -0.821 31.058 31.823 0.093 0.000 0.658 167 V HN 0.334 nan 8.190 nan 0.000 0.455 168 F N 1.673 121.647 119.950 0.041 0.000 2.134 168 F HA -0.134 4.392 4.527 -0.001 0.000 0.299 168 F C 2.136 177.916 175.800 -0.033 0.000 1.097 168 F CA 1.828 59.842 58.000 0.023 0.000 1.264 168 F CB -0.686 38.361 39.000 0.077 0.000 1.001 168 F HN 0.251 nan 8.300 nan 0.000 0.479 169 D N 0.124 120.466 120.400 -0.097 0.000 2.087 169 D HA -0.214 4.425 4.640 -0.001 0.000 0.192 169 D C 2.197 178.375 176.300 -0.202 0.000 0.993 169 D CA 1.775 55.633 54.000 -0.236 0.000 0.828 169 D CB -0.186 40.561 40.800 -0.088 0.000 0.968 169 D HN 0.112 nan 8.370 nan 0.000 0.448 170 M N 0.006 119.554 119.600 -0.086 0.000 2.337 170 M HA -0.116 4.363 4.480 -0.001 0.000 0.261 170 M C 2.210 178.447 176.300 -0.105 0.000 1.067 170 M CA 0.845 56.104 55.300 -0.068 0.000 1.074 170 M CB -0.803 31.793 32.600 -0.007 0.000 1.395 170 M HN 0.251 nan 8.290 nan 0.000 0.431 171 I N -0.970 119.515 120.570 -0.142 0.000 2.400 171 I HA -0.203 3.967 4.170 -0.001 0.000 0.248 171 I C 2.598 178.487 176.117 -0.379 0.000 1.109 171 I CA 0.636 61.818 61.300 -0.197 0.000 1.425 171 I CB -0.408 37.518 38.000 -0.123 0.000 1.094 171 I HN 0.255 nan 8.210 nan 0.000 0.425 172 R N 1.955 122.144 120.500 -0.519 0.000 2.073 172 R HA -0.088 4.251 4.340 -0.001 0.000 0.234 172 R C 2.020 178.138 176.300 -0.303 0.000 1.134 172 R CA 1.406 57.180 56.100 -0.543 0.000 0.952 172 R CB -0.255 29.617 30.300 -0.712 0.000 0.850 172 R HN 0.168 nan 8.270 nan 0.000 0.433 173 R N 0.396 120.754 120.500 -0.238 0.000 2.366 173 R HA 0.039 4.379 4.340 -0.001 0.000 0.201 173 R C 0.025 176.257 176.300 -0.114 0.000 1.057 173 R CA 0.439 56.451 56.100 -0.147 0.000 1.086 173 R CB -0.074 30.158 30.300 -0.114 0.000 0.914 173 R HN 0.198 nan 8.270 nan 0.000 0.476 174 R N -1.678 118.743 120.500 -0.133 0.000 3.946 174 R HA -0.199 4.141 4.340 -0.001 0.000 0.329 174 R C 0.861 177.123 176.300 -0.063 0.000 1.209 174 R CA 1.117 57.163 56.100 -0.089 0.000 0.909 174 R CB -2.455 27.808 30.300 -0.062 0.000 1.355 174 R HN 0.142 nan 8.270 nan 0.000 0.539 175 S N -0.861 114.799 115.700 -0.067 0.000 2.406 175 S HA 0.097 4.567 4.470 -0.001 0.000 0.224 175 S C 0.635 175.216 174.600 -0.032 0.000 1.030 175 S CA 0.405 58.579 58.200 -0.043 0.000 0.958 175 S CB 0.148 63.324 63.200 -0.040 0.000 0.811 175 S HN 0.248 nan 8.310 nan 0.000 0.489 176 L N 3.597 124.799 121.223 -0.035 0.000 2.264 176 L HA 0.405 4.744 4.340 -0.001 0.000 0.289 176 L C -0.512 176.348 176.870 -0.015 0.000 1.044 176 L CA -0.399 54.431 54.840 -0.017 0.000 0.807 176 L CB 0.473 42.529 42.059 -0.005 0.000 1.192 176 L HN -0.131 nan 8.230 nan 0.000 0.425 177 R N 3.592 124.087 120.500 -0.009 0.000 2.308 177 R HA 0.162 4.502 4.340 -0.001 0.000 0.325 177 R C 1.305 177.609 176.300 0.008 0.000 1.161 177 R CA 0.517 56.616 56.100 -0.002 0.000 1.022 177 R CB 0.083 30.378 30.300 -0.008 0.000 1.091 177 R HN 0.870 nan 8.270 nan 0.000 0.497 178 T N -0.265 114.303 114.554 0.022 0.000 2.812 178 T HA -0.183 4.167 4.350 -0.001 0.000 0.264 178 T C 1.815 176.526 174.700 0.017 0.000 1.042 178 T CA 0.745 62.863 62.100 0.030 0.000 1.140 178 T CB 0.032 68.938 68.868 0.063 0.000 0.870 178 T HN 0.584 nan 8.240 nan 0.000 0.445 179 R N 1.723 122.234 120.500 0.018 0.000 2.327 179 R HA -0.303 4.037 4.340 -0.001 0.000 0.239 179 R C 2.071 178.373 176.300 0.004 0.000 1.085 179 R CA 2.505 58.611 56.100 0.010 0.000 0.890 179 R CB -1.157 29.148 30.300 0.009 0.000 0.983 179 R HN 0.569 nan 8.270 nan 0.000 0.419 180 A N 0.025 122.847 122.820 0.004 0.000 2.379 180 A HA 0.288 4.608 4.320 -0.001 0.000 0.236 180 A C 0.637 178.223 177.584 0.004 0.000 1.272 180 A CA -0.374 51.666 52.037 0.004 0.000 0.886 180 A CB 0.031 19.035 19.000 0.007 0.000 0.962 180 A HN 0.298 nan 8.150 nan 0.000 0.504 181 I N 0.879 121.449 120.570 0.001 0.000 2.556 181 I HA 0.029 4.199 4.170 -0.001 0.000 0.284 181 I C 1.197 177.308 176.117 -0.010 0.000 1.114 181 I CA 0.227 61.526 61.300 -0.002 0.000 1.418 181 I CB 1.130 39.128 38.000 -0.004 0.000 1.394 181 I HN 0.451 nan 8.210 nan 0.000 0.552 182 K N 6.471 126.865 120.400 -0.010 0.000 2.501 182 K HA 0.408 4.727 4.320 -0.001 0.000 0.204 182 K C -0.271 176.318 176.600 -0.019 0.000 1.067 182 K CA -0.391 55.888 56.287 -0.013 0.000 1.060 182 K CB 0.894 33.389 32.500 -0.008 0.000 0.873 182 K HN 0.593 nan 8.250 nan 0.000 0.540 183 M N 1.848 121.433 119.600 -0.026 0.000 2.296 183 M HA 0.283 4.763 4.480 -0.001 0.000 0.268 183 M C -2.431 173.834 176.300 -0.058 0.000 1.048 183 M CA -0.924 54.352 55.300 -0.040 0.000 0.966 183 M CB 2.018 34.598 32.600 -0.034 0.000 1.912 183 M HN 0.202 nan 8.290 nan 0.000 0.484 184 L N 6.332 127.504 121.223 -0.084 0.000 2.313 184 L HA 0.834 5.174 4.340 -0.001 0.000 0.283 184 L C -1.826 174.938 176.870 -0.176 0.000 1.013 184 L CA -0.352 54.419 54.840 -0.114 0.000 0.816 184 L CB 1.898 43.890 42.059 -0.112 0.000 1.236 184 L HN 0.550 nan 8.230 nan 0.000 0.419 185 V N 6.716 126.508 119.914 -0.203 0.000 2.409 185 V HA 0.406 4.525 4.120 -0.001 0.000 0.291 185 V C -0.073 175.831 176.094 -0.317 0.000 1.020 185 V CA -0.456 61.660 62.300 -0.306 0.000 0.848 185 V CB 1.589 33.157 31.823 -0.424 0.000 0.990 185 V HN 0.628 nan 8.190 nan 0.000 0.430 186 L N 4.483 125.518 121.223 -0.313 0.000 2.360 186 L HA 0.437 4.777 4.340 -0.001 0.000 0.265 186 L C 0.245 176.952 176.870 -0.272 0.000 1.066 186 L CA -0.248 54.435 54.840 -0.261 0.000 0.929 186 L CB 0.673 42.601 42.059 -0.217 0.000 1.306 186 L HN 0.612 nan 8.230 nan 0.000 0.434 187 D N 3.331 123.546 120.400 -0.307 0.000 2.372 187 D HA -0.029 4.611 4.640 -0.001 0.000 0.243 187 D C 0.426 176.639 176.300 -0.145 0.000 1.121 187 D CA 0.187 54.035 54.000 -0.253 0.000 0.898 187 D CB 0.910 41.576 40.800 -0.223 0.000 1.202 187 D HN 0.537 nan 8.370 nan 0.000 0.428 188 E N 0.948 121.095 120.200 -0.088 0.000 2.238 188 E HA -0.312 4.038 4.350 -0.001 0.000 0.219 188 E C 0.947 177.499 176.600 -0.080 0.000 1.275 188 E CA 0.278 56.642 56.400 -0.061 0.000 0.714 188 E CB -1.052 28.622 29.700 -0.043 0.000 1.154 188 E HN 0.538 nan 8.360 nan 0.000 0.363 189 A N 1.671 124.435 122.820 -0.093 0.000 1.873 189 A HA -0.308 4.012 4.320 -0.001 0.000 0.218 189 A C 1.951 179.505 177.584 -0.050 0.000 1.193 189 A CA 2.081 54.066 52.037 -0.086 0.000 0.629 189 A CB -0.341 18.604 19.000 -0.092 0.000 0.826 189 A HN 0.630 nan 8.150 nan 0.000 0.447 190 D N -0.291 120.087 120.400 -0.038 0.000 2.149 190 D HA -0.258 4.381 4.640 -0.001 0.000 0.194 190 D C 1.582 177.883 176.300 0.002 0.000 1.001 190 D CA 1.893 55.886 54.000 -0.013 0.000 0.849 190 D CB -0.571 40.223 40.800 -0.010 0.000 0.939 190 D HN 0.474 nan 8.370 nan 0.000 0.449 191 E N 0.179 120.373 120.200 -0.010 0.000 2.047 191 E HA -0.060 4.289 4.350 -0.001 0.000 0.191 191 E C 2.468 179.075 176.600 0.013 0.000 0.987 191 E CA 0.781 57.183 56.400 0.003 0.000 0.799 191 E CB -0.279 29.413 29.700 -0.012 0.000 0.752 191 E HN 0.264 nan 8.360 nan 0.000 0.449 192 M N -0.027 119.548 119.600 -0.042 0.000 2.146 192 M HA -0.250 4.230 4.480 -0.001 0.000 0.256 192 M C 2.140 178.521 176.300 0.136 0.000 1.075 192 M CA 1.411 56.672 55.300 -0.065 0.000 1.082 192 M CB -0.763 31.753 32.600 -0.140 0.000 1.355 192 M HN 0.192 nan 8.290 nan 0.000 0.402 193 L N -0.573 120.705 121.223 0.093 0.000 2.095 193 L HA -0.152 4.188 4.340 -0.001 0.000 0.204 193 L C 1.917 178.856 176.870 0.115 0.000 1.080 193 L CA 0.960 55.869 54.840 0.115 0.000 0.759 193 L CB -0.867 41.234 42.059 0.070 0.000 0.914 193 L HN 0.284 nan 8.230 nan 0.000 0.439 194 N N 0.456 119.210 118.700 0.091 0.000 2.348 194 N HA -0.151 4.588 4.740 -0.001 0.000 0.185 194 N C 1.233 176.805 175.510 0.104 0.000 1.019 194 N CA 1.091 54.188 53.050 0.079 0.000 0.880 194 N CB -0.073 38.450 38.487 0.060 0.000 0.965 194 N HN 0.264 nan 8.380 nan 0.000 0.437 195 K N -0.108 120.398 120.400 0.176 0.000 2.410 195 K HA 0.186 4.506 4.320 -0.001 0.000 0.200 195 K C 0.209 176.924 176.600 0.191 0.000 1.023 195 K CA 0.011 56.442 56.287 0.239 0.000 1.149 195 K CB 0.296 33.051 32.500 0.424 0.000 0.859 195 K HN 0.147 nan 8.250 nan 0.000 0.514 196 G N 1.656 110.545 108.800 0.149 0.000 2.370 196 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.293 196 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.293 196 G C 0.000 174.884 174.900 -0.027 0.000 0.992 196 G CA -0.052 45.079 45.100 0.052 0.000 1.247 196 G HN 0.347 nan 8.290 nan 0.000 0.505 197 F N -0.184 119.785 119.950 0.032 0.000 2.661 197 F HA 0.278 4.805 4.527 -0.001 0.000 0.306 197 F C 2.159 177.987 175.800 0.047 0.000 1.094 197 F CA 0.227 58.248 58.000 0.035 0.000 1.254 197 F CB 0.342 39.356 39.000 0.022 0.000 1.040 197 F HN 0.371 nan 8.300 nan 0.000 0.562 198 K N 0.846 121.370 120.400 0.206 0.000 2.023 198 K HA -0.304 4.016 4.320 -0.001 0.000 0.227 198 K C 1.889 178.664 176.600 0.292 0.000 1.054 198 K CA 2.433 58.850 56.287 0.216 0.000 0.977 198 K CB -0.072 32.539 32.500 0.184 0.000 0.733 198 K HN 0.087 nan 8.250 nan 0.000 0.451 199 E N 0.553 120.874 120.200 0.202 0.000 2.049 199 E HA -0.237 4.112 4.350 -0.001 0.000 0.198 199 E C 2.202 178.870 176.600 0.113 0.000 1.007 199 E CA 1.698 58.197 56.400 0.164 0.000 0.809 199 E CB -0.458 29.273 29.700 0.052 0.000 0.749 199 E HN 0.416 nan 8.360 nan 0.000 0.450 200 Q N 0.357 120.199 119.800 0.070 0.000 2.096 200 Q HA -0.172 4.167 4.340 -0.001 0.000 0.208 200 Q C 2.294 178.285 176.000 -0.015 0.000 0.993 200 Q CA 1.382 57.181 55.803 -0.006 0.000 0.862 200 Q CB -0.307 28.532 28.738 0.168 0.000 0.915 200 Q HN 0.301 nan 8.270 nan 0.000 0.416 201 I N -0.527 120.094 120.570 0.085 0.000 2.076 201 I HA -0.319 3.850 4.170 -0.001 0.000 0.237 201 I C 1.985 178.139 176.117 0.062 0.000 1.059 201 I CA 1.796 63.120 61.300 0.039 0.000 1.317 201 I CB -1.396 36.588 38.000 -0.027 0.000 1.037 201 I HN 0.257 nan 8.210 nan 0.000 0.398 202 Y N 1.603 121.955 120.300 0.086 0.000 2.102 202 Y HA -0.322 4.227 4.550 -0.000 0.000 0.280 202 Y C 2.598 178.530 175.900 0.055 0.000 1.178 202 Y CA 1.992 60.146 58.100 0.090 0.000 1.146 202 Y CB -0.581 37.864 38.460 -0.024 0.000 0.968 202 Y HN 0.277 nan 8.280 nan 0.000 0.504 203 D N -0.533 119.889 120.400 0.037 0.000 2.104 203 D HA -0.176 4.464 4.640 -0.001 0.000 0.194 203 D C 2.287 178.547 176.300 -0.068 0.000 0.994 203 D CA 1.755 55.639 54.000 -0.193 0.000 0.830 203 D CB -0.611 39.716 40.800 -0.790 0.000 0.959 203 D HN 0.193 nan 8.370 nan 0.000 0.452 204 V N 0.537 120.418 119.914 -0.054 0.000 2.490 204 V HA -0.261 3.859 4.120 -0.001 0.000 0.250 204 V C 2.185 178.384 176.094 0.175 0.000 1.061 204 V CA 1.259 63.645 62.300 0.143 0.000 1.064 204 V CB -0.784 31.106 31.823 0.110 0.000 0.670 204 V HN 0.151 nan 8.190 nan 0.000 0.461 205 Y N 1.592 121.938 120.300 0.077 0.000 2.145 205 Y HA -0.209 4.340 4.550 -0.001 0.000 0.286 205 Y C 2.739 178.679 175.900 0.067 0.000 1.145 205 Y CA 1.630 59.776 58.100 0.078 0.000 1.148 205 Y CB -0.347 38.263 38.460 0.250 0.000 0.981 205 Y HN 0.102 nan 8.280 nan 0.000 0.507 206 R N -1.186 119.302 120.500 -0.021 0.000 2.113 206 R HA -0.263 4.077 4.340 -0.001 0.000 0.244 206 R C 2.011 178.127 176.300 -0.308 0.000 1.142 206 R CA 2.194 58.172 56.100 -0.204 0.000 0.953 206 R CB -1.033 29.132 30.300 -0.224 0.000 0.860 206 R HN 0.413 nan 8.270 nan 0.000 0.438 207 Y N 0.859 121.150 120.300 -0.015 0.000 2.574 207 Y HA -0.006 4.544 4.550 -0.001 0.000 0.294 207 Y C 0.987 176.852 175.900 -0.060 0.000 1.142 207 Y CA 0.253 58.354 58.100 0.003 0.000 1.314 207 Y CB -0.156 38.358 38.460 0.090 0.000 0.991 207 Y HN -0.033 nan 8.280 nan 0.000 0.555 208 L N 1.380 122.572 121.223 -0.051 0.000 2.436 208 L HA 0.215 4.555 4.340 -0.001 0.000 0.265 208 L C -2.087 174.671 176.870 -0.186 0.000 1.168 208 L CA -2.153 52.616 54.840 -0.118 0.000 0.815 208 L CB 0.208 42.159 42.059 -0.181 0.000 1.109 208 L HN -0.154 nan 8.230 nan 0.000 0.462 209 P HA 0.091 nan 4.420 nan 0.000 0.271 209 P C -2.454 174.769 177.300 -0.129 0.000 1.216 209 P CA -1.038 62.002 63.100 -0.100 0.000 0.776 209 P CB -0.181 31.488 31.700 -0.051 0.000 0.881 210 P HA 0.077 nan 4.420 nan 0.000 0.267 210 P C 0.041 177.324 177.300 -0.027 0.000 1.205 210 P CA 0.630 63.693 63.100 -0.062 0.000 0.765 210 P CB 0.289 31.966 31.700 -0.038 0.000 0.828 211 A N 1.692 124.514 122.820 0.004 0.000 3.778 211 A HA -0.102 4.218 4.320 -0.001 0.000 0.213 211 A C 0.621 178.217 177.584 0.020 0.000 1.221 211 A CA 0.355 52.404 52.037 0.019 0.000 1.485 211 A CB -2.807 16.195 19.000 0.004 0.000 0.976 211 A HN 0.493 nan 8.150 nan 0.000 0.821 212 T N 1.634 116.198 114.554 0.015 0.000 2.908 212 T HA 0.313 4.663 4.350 -0.001 0.000 0.301 212 T C 0.226 174.943 174.700 0.028 0.000 1.019 212 T CA 0.967 63.075 62.100 0.013 0.000 1.152 212 T CB 0.753 69.614 68.868 -0.012 0.000 0.966 212 T HN 0.658 nan 8.240 nan 0.000 0.540 213 Q N 2.593 122.389 119.800 -0.006 0.000 2.297 213 Q HA 0.338 4.677 4.340 -0.001 0.000 0.267 213 Q C -1.299 174.663 176.000 -0.064 0.000 1.006 213 Q CA -0.334 55.453 55.803 -0.027 0.000 0.896 213 Q CB 0.431 29.154 28.738 -0.024 0.000 1.186 213 Q HN 0.478 nan 8.270 nan 0.000 0.392 214 V N 5.086 124.937 119.914 -0.105 0.000 2.443 214 V HA 0.296 4.416 4.120 -0.001 0.000 0.293 214 V C -0.562 175.424 176.094 -0.179 0.000 1.021 214 V CA -0.863 61.322 62.300 -0.192 0.000 0.848 214 V CB 1.674 33.289 31.823 -0.347 0.000 0.998 214 V HN 0.599 nan 8.190 nan 0.000 0.424 215 V N 6.477 126.283 119.914 -0.180 0.000 2.333 215 V HA 0.412 4.532 4.120 -0.001 0.000 0.274 215 V C -0.111 175.859 176.094 -0.207 0.000 1.028 215 V CA -0.323 61.879 62.300 -0.163 0.000 0.851 215 V CB 1.529 33.260 31.823 -0.153 0.000 1.000 215 V HN 0.745 nan 8.190 nan 0.000 0.456 216 L N 6.599 127.718 121.223 -0.174 0.000 2.282 216 L HA 0.607 4.947 4.340 -0.001 0.000 0.288 216 L C -0.847 175.933 176.870 -0.149 0.000 1.033 216 L CA -0.394 54.339 54.840 -0.178 0.000 0.807 216 L CB 0.959 42.931 42.059 -0.146 0.000 1.209 216 L HN 0.392 nan 8.230 nan 0.000 0.423 217 I N 4.193 124.661 120.570 -0.169 0.000 2.377 217 I HA 0.519 4.689 4.170 -0.001 0.000 0.293 217 I C -0.066 176.000 176.117 -0.085 0.000 0.987 217 I CA -0.208 61.025 61.300 -0.111 0.000 1.185 217 I CB 1.396 39.326 38.000 -0.117 0.000 1.341 217 I HN 0.663 nan 8.210 nan 0.000 0.455 218 S N 3.521 119.189 115.700 -0.054 0.000 2.570 218 S HA 0.546 5.016 4.470 -0.001 0.000 0.286 218 S C 0.478 175.062 174.600 -0.027 0.000 1.143 218 S CA 0.071 58.243 58.200 -0.045 0.000 0.921 218 S CB 1.367 64.529 63.200 -0.064 0.000 1.108 218 S HN 0.741 nan 8.310 nan 0.000 0.456 219 A N 3.141 125.954 122.820 -0.012 0.000 1.908 219 A HA 0.195 4.515 4.320 -0.001 0.000 0.218 219 A C 1.321 178.902 177.584 -0.005 0.000 1.181 219 A CA 2.090 54.127 52.037 0.000 0.000 0.627 219 A CB -1.045 17.960 19.000 0.009 0.000 0.818 219 A HN 1.473 nan 8.150 nan 0.000 0.445 220 T N -3.655 110.891 114.554 -0.012 0.000 2.930 220 T HA 0.679 5.029 4.350 -0.001 0.000 0.290 220 T C -0.692 173.982 174.700 -0.042 0.000 1.052 220 T CA -0.749 61.343 62.100 -0.013 0.000 1.017 220 T CB 1.559 70.430 68.868 0.005 0.000 1.137 220 T HN 0.140 nan 8.240 nan 0.000 0.511 221 L N 1.747 122.936 121.223 -0.056 0.000 2.490 221 L HA 0.397 4.737 4.340 -0.001 0.000 0.256 221 L C -2.584 174.229 176.870 -0.095 0.000 1.089 221 L CA -1.776 52.992 54.840 -0.119 0.000 0.916 221 L CB 1.449 43.350 42.059 -0.264 0.000 1.188 221 L HN 0.493 nan 8.230 nan 0.000 0.476 222 P HA 0.124 nan 4.420 nan 0.000 0.272 222 P C 0.129 177.466 177.300 0.063 0.000 1.240 222 P CA -0.347 62.796 63.100 0.071 0.000 0.791 222 P CB 0.471 32.243 31.700 0.119 0.000 0.978 223 H N -0.517 118.565 119.070 0.020 0.000 2.568 223 H HA -0.040 4.516 4.556 -0.001 0.000 0.275 223 H C 1.193 176.526 175.328 0.009 0.000 1.028 223 H CA 0.789 56.851 56.048 0.024 0.000 1.173 223 H CB -0.486 29.292 29.762 0.027 0.000 1.335 223 H HN 0.574 nan 8.280 nan 0.000 0.614 224 E N 0.094 120.373 120.200 0.132 0.000 2.508 224 E HA 0.033 4.382 4.350 -0.001 0.000 0.217 224 E C 1.237 177.858 176.600 0.035 0.000 0.896 224 E CA 0.043 56.486 56.400 0.072 0.000 1.118 224 E CB 0.370 30.111 29.700 0.068 0.000 1.133 224 E HN 0.245 nan 8.360 nan 0.000 0.526 225 I N 1.271 121.847 120.570 0.011 0.000 2.617 225 I HA -0.085 4.085 4.170 -0.001 0.000 0.256 225 I C 2.115 178.202 176.117 -0.050 0.000 1.167 225 I CA 0.655 61.939 61.300 -0.027 0.000 1.469 225 I CB -0.263 37.703 38.000 -0.056 0.000 1.098 225 I HN 0.273 nan 8.210 nan 0.000 0.436 226 L N 0.209 121.403 121.223 -0.048 0.000 2.072 226 L HA -0.140 4.199 4.340 -0.001 0.000 0.205 226 L C 2.485 179.336 176.870 -0.031 0.000 1.079 226 L CA 0.897 55.704 54.840 -0.055 0.000 0.752 226 L CB -0.471 41.569 42.059 -0.032 0.000 0.906 226 L HN 0.072 nan 8.230 nan 0.000 0.436 227 E N 0.009 120.203 120.200 -0.009 0.000 2.267 227 E HA -0.267 4.083 4.350 -0.001 0.000 0.197 227 E C 2.006 178.573 176.600 -0.054 0.000 0.998 227 E CA 1.353 57.745 56.400 -0.014 0.000 0.830 227 E CB -0.065 29.642 29.700 0.013 0.000 0.751 227 E HN 0.396 nan 8.360 nan 0.000 0.491 228 M N -0.766 118.785 119.600 -0.080 0.000 2.429 228 M HA -0.096 4.383 4.480 -0.001 0.000 0.265 228 M C 1.975 178.165 176.300 -0.183 0.000 1.120 228 M CA 1.543 56.692 55.300 -0.251 0.000 1.173 228 M CB -0.167 32.310 32.600 -0.204 0.000 1.343 228 M HN 0.150 nan 8.290 nan 0.000 0.464 229 T N 0.608 115.157 114.554 -0.008 0.000 2.595 229 T HA -0.201 4.148 4.350 -0.001 0.000 0.264 229 T C 1.290 176.020 174.700 0.050 0.000 1.058 229 T CA 2.068 64.206 62.100 0.065 0.000 1.166 229 T CB -1.535 67.321 68.868 -0.020 0.000 0.863 229 T HN 0.605 nan 8.240 nan 0.000 0.415 230 N N 1.371 120.063 118.700 -0.014 0.000 2.520 230 N HA -0.036 4.704 4.740 -0.001 0.000 0.185 230 N C 1.524 177.008 175.510 -0.042 0.000 1.068 230 N CA 0.877 53.918 53.050 -0.015 0.000 0.911 230 N CB -0.362 38.115 38.487 -0.016 0.000 0.961 230 N HN 0.485 nan 8.380 nan 0.000 0.446 231 K N 0.024 120.344 120.400 -0.133 0.000 2.366 231 K HA 0.073 4.393 4.320 -0.001 0.000 0.198 231 K C -0.245 176.225 176.600 -0.216 0.000 1.044 231 K CA 0.666 56.815 56.287 -0.230 0.000 0.973 231 K CB 0.003 32.290 32.500 -0.356 0.000 0.767 231 K HN 0.532 nan 8.250 nan 0.000 0.475 232 F N -1.761 118.041 119.950 -0.248 0.000 2.514 232 F HA 0.414 4.941 4.527 -0.001 0.000 0.374 232 F C -1.001 174.625 175.800 -0.290 0.000 1.532 232 F CA -1.175 56.582 58.000 -0.405 0.000 1.082 232 F CB 0.253 38.535 39.000 -1.198 0.000 1.610 232 F HN -0.253 nan 8.300 nan 0.000 0.531 233 M N 3.156 122.813 119.600 0.095 0.000 2.265 233 M HA 0.244 4.724 4.480 -0.001 0.000 0.251 233 M C -0.957 175.354 176.300 0.018 0.000 1.005 233 M CA -0.206 55.107 55.300 0.021 0.000 0.998 233 M CB 2.281 34.889 32.600 0.013 0.000 2.070 233 M HN 0.359 nan 8.290 nan 0.000 0.476 234 T N -0.281 114.280 114.554 0.012 0.000 2.806 234 T HA 0.313 4.662 4.350 -0.001 0.000 0.290 234 T C 0.175 174.872 174.700 -0.004 0.000 0.966 234 T CA -0.407 61.694 62.100 0.001 0.000 1.060 234 T CB 1.183 70.048 68.868 -0.005 0.000 0.927 234 T HN 0.763 nan 8.240 nan 0.000 0.485 235 D N 3.553 123.948 120.400 -0.008 0.000 3.060 235 D HA -0.115 4.525 4.640 -0.001 0.000 0.209 235 D C -2.184 174.115 176.300 -0.002 0.000 1.232 235 D CA 0.054 54.050 54.000 -0.006 0.000 0.841 235 D CB 0.034 40.835 40.800 0.003 0.000 0.863 235 D HN 0.542 nan 8.370 nan 0.000 0.389 236 P HA 0.289 nan 4.420 nan 0.000 0.279 236 P C 0.055 177.352 177.300 -0.005 0.000 1.252 236 P CA -0.897 62.197 63.100 -0.010 0.000 0.811 236 P CB 0.960 32.649 31.700 -0.019 0.000 1.035 237 I N 2.478 123.046 120.570 -0.002 0.000 2.342 237 I HA 0.270 4.440 4.170 -0.001 0.000 0.291 237 I C 1.099 177.218 176.117 0.003 0.000 1.010 237 I CA -0.463 60.841 61.300 0.007 0.000 1.308 237 I CB 0.482 38.491 38.000 0.015 0.000 1.400 237 I HN 0.307 nan 8.210 nan 0.000 0.488 238 R N 6.647 127.156 120.500 0.015 0.000 2.346 238 R HA 0.615 4.955 4.340 -0.001 0.000 0.311 238 R C -0.659 175.660 176.300 0.032 0.000 0.983 238 R CA -0.543 55.569 56.100 0.021 0.000 0.880 238 R CB 1.734 32.072 30.300 0.063 0.000 1.100 238 R HN 0.483 nan 8.270 nan 0.000 0.453 239 I N 6.177 126.760 120.570 0.022 0.000 2.464 239 I HA 0.231 4.401 4.170 -0.001 0.000 0.277 239 I C -0.339 175.799 176.117 0.035 0.000 1.040 239 I CA -0.323 60.995 61.300 0.031 0.000 1.153 239 I CB 0.655 38.671 38.000 0.027 0.000 1.274 239 I HN 0.350 nan 8.210 nan 0.000 0.469 240 L N 4.580 125.837 121.223 0.056 0.000 2.492 240 L HA 0.555 4.895 4.340 -0.001 0.000 0.263 240 L C 1.031 177.934 176.870 0.055 0.000 1.062 240 L CA -0.755 54.125 54.840 0.068 0.000 0.817 240 L CB 0.972 43.111 42.059 0.133 0.000 1.441 240 L HN 0.177 nan 8.230 nan 0.000 0.493 241 V N -1.381 118.567 119.914 0.056 0.000 2.672 241 V HA 0.090 4.209 4.120 -0.001 0.000 0.242 241 V C 0.730 176.848 176.094 0.040 0.000 1.059 241 V CA 0.801 63.127 62.300 0.043 0.000 1.081 241 V CB -0.098 31.748 31.823 0.038 0.000 0.752 241 V HN 0.545 nan 8.190 nan 0.000 0.472 242 K N 1.444 121.873 120.400 0.047 0.000 2.143 242 K HA 0.355 4.674 4.320 -0.001 0.000 0.272 242 K C 0.096 176.709 176.600 0.022 0.000 1.001 242 K CA -0.599 55.706 56.287 0.030 0.000 0.915 242 K CB 1.541 34.056 32.500 0.026 0.000 1.047 242 K HN 0.154 nan 8.250 nan 0.000 0.458 243 R N 1.974 122.479 120.500 0.008 0.000 2.640 243 R HA -0.096 4.244 4.340 -0.001 0.000 0.270 243 R C -0.751 175.534 176.300 -0.025 0.000 1.024 243 R CA 0.558 56.657 56.100 -0.001 0.000 1.085 243 R CB 0.331 30.631 30.300 -0.001 0.000 0.963 243 R HN 0.639 nan 8.270 nan 0.000 0.426 244 D N 2.581 122.960 120.400 -0.036 0.000 2.646 244 D HA 0.204 4.844 4.640 -0.001 0.000 0.245 244 D C -1.429 174.829 176.300 -0.071 0.000 1.099 244 D CA -0.559 53.388 54.000 -0.088 0.000 0.849 244 D CB 1.300 42.022 40.800 -0.130 0.000 1.448 244 D HN 0.587 nan 8.370 nan 0.000 0.489 245 E N 2.508 122.661 120.200 -0.079 0.000 2.288 245 E HA 0.450 4.800 4.350 -0.001 0.000 0.268 245 E C -0.728 175.838 176.600 -0.056 0.000 0.885 245 E CA -1.179 55.190 56.400 -0.051 0.000 0.767 245 E CB 1.475 31.159 29.700 -0.026 0.000 1.220 245 E HN 0.194 nan 8.360 nan 0.000 0.427 246 L N 2.197 123.394 121.223 -0.044 0.000 2.543 246 L HA 0.180 4.520 4.340 -0.001 0.000 0.285 246 L C 0.302 177.155 176.870 -0.028 0.000 1.236 246 L CA 1.226 56.037 54.840 -0.048 0.000 0.871 246 L CB 0.276 42.311 42.059 -0.040 0.000 1.121 246 L HN 0.904 nan 8.230 nan 0.000 0.501 247 T N 0.532 115.060 114.554 -0.044 0.000 3.291 247 T HA 0.421 4.771 4.350 -0.001 0.000 0.344 247 T C 0.000 174.667 174.700 -0.055 0.000 1.293 247 T CA -0.885 61.199 62.100 -0.028 0.000 1.108 247 T CB 0.628 69.483 68.868 -0.022 0.000 1.231 247 T HN 0.236 nan 8.240 nan 0.000 0.474 248 L N -0.109 121.074 121.223 -0.066 0.000 2.672 248 L HA 0.457 4.796 4.340 -0.001 0.000 0.236 248 L C 0.905 177.742 176.870 -0.055 0.000 1.186 248 L CA -0.298 54.490 54.840 -0.086 0.000 0.977 248 L CB -1.372 40.610 42.059 -0.129 0.000 1.203 248 L HN 0.746 nan 8.230 nan 0.000 0.448 249 E N 1.610 121.787 120.200 -0.038 0.000 2.414 249 E HA 0.282 4.632 4.350 -0.001 0.000 0.263 249 E C 1.233 177.812 176.600 -0.034 0.000 1.000 249 E CA 1.052 57.436 56.400 -0.027 0.000 0.914 249 E CB 0.587 30.274 29.700 -0.020 0.000 0.948 249 E HN 0.518 nan 8.360 nan 0.000 0.444 250 G N 3.996 112.778 108.800 -0.030 0.000 2.213 250 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.236 250 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.236 250 G C 0.374 175.245 174.900 -0.047 0.000 0.991 250 G CA 0.099 45.181 45.100 -0.031 0.000 0.629 250 G HN 0.524 nan 8.290 nan 0.000 0.517 251 I N 1.812 122.344 120.570 -0.063 0.000 2.331 251 I HA 0.298 4.467 4.170 -0.001 0.000 0.292 251 I C 0.033 176.071 176.117 -0.132 0.000 0.998 251 I CA -0.843 60.402 61.300 -0.091 0.000 1.267 251 I CB 1.330 39.271 38.000 -0.098 0.000 1.386 251 I HN -0.137 nan 8.210 nan 0.000 0.476 252 K N 7.138 127.423 120.400 -0.193 0.000 2.316 252 K HA 0.291 4.611 4.320 -0.001 0.000 0.289 252 K C -0.524 175.734 176.600 -0.570 0.000 1.070 252 K CA -0.199 55.856 56.287 -0.388 0.000 0.928 252 K CB 0.836 33.098 32.500 -0.396 0.000 1.039 252 K HN 0.568 nan 8.250 nan 0.000 0.480 253 Q N 2.925 122.401 119.800 -0.540 0.000 2.316 253 Q HA 0.561 4.901 4.340 -0.001 0.000 0.264 253 Q C -0.661 175.140 176.000 -0.333 0.000 0.987 253 Q CA -0.442 55.166 55.803 -0.325 0.000 0.852 253 Q CB 1.430 30.161 28.738 -0.012 0.000 1.287 253 Q HN 0.405 nan 8.270 nan 0.000 0.448 254 F N 1.272 121.330 119.950 0.180 0.000 2.675 254 F HA 0.696 5.222 4.527 -0.001 0.000 0.324 254 F C -0.696 175.270 175.800 0.276 0.000 1.106 254 F CA -1.362 56.733 58.000 0.157 0.000 0.970 254 F CB 1.614 40.641 39.000 0.045 0.000 1.385 254 F HN 0.519 nan 8.300 nan 0.000 0.489 255 F N -0.751 119.419 119.950 0.366 0.000 2.591 255 F HA 0.820 5.346 4.527 -0.000 0.000 0.309 255 F C -1.982 173.958 175.800 0.233 0.000 1.098 255 F CA -1.340 56.829 58.000 0.282 0.000 0.937 255 F CB 1.024 40.144 39.000 0.200 0.000 1.250 255 F HN 0.129 nan 8.300 nan 0.000 0.447 256 V N 3.067 123.158 119.914 0.294 0.000 2.357 256 V HA 0.631 4.751 4.120 -0.001 0.000 0.284 256 V C 0.427 176.627 176.094 0.177 0.000 1.018 256 V CA -0.735 61.622 62.300 0.095 0.000 0.841 256 V CB 1.071 32.928 31.823 0.057 0.000 0.991 256 V HN 1.103 nan 8.190 nan 0.000 0.437 257 A N 5.852 128.773 122.820 0.167 0.000 2.981 257 A HA 0.440 4.759 4.320 -0.001 0.000 0.280 257 A C 0.570 178.222 177.584 0.114 0.000 1.797 257 A CA -0.013 52.161 52.037 0.229 0.000 1.456 257 A CB -0.610 18.540 19.000 0.250 0.000 1.057 257 A HN 1.122 nan 8.150 nan 0.000 0.602 258 V N 0.144 120.104 119.914 0.077 0.000 3.751 258 V HA 0.332 4.452 4.120 -0.001 0.000 0.279 258 V C 0.799 176.981 176.094 0.148 0.000 1.010 258 V CA 0.520 62.862 62.300 0.069 0.000 1.015 258 V CB 0.493 32.309 31.823 -0.010 0.000 1.240 258 V HN 0.757 nan 8.190 nan 0.000 0.438 259 E N -0.094 120.241 120.200 0.225 0.000 2.444 259 E HA 0.233 4.583 4.350 -0.001 0.000 0.203 259 E C 0.554 177.158 176.600 0.008 0.000 0.847 259 E CA -0.141 56.343 56.400 0.140 0.000 1.142 259 E CB 0.514 30.347 29.700 0.222 0.000 1.125 259 E HN 0.795 nan 8.360 nan 0.000 0.521 260 R N 0.798 121.263 120.500 -0.059 0.000 2.867 260 R HA 0.309 4.648 4.340 -0.001 0.000 0.268 260 R C 0.375 176.644 176.300 -0.053 0.000 1.014 260 R CA -0.487 55.527 56.100 -0.143 0.000 0.946 260 R CB 1.139 31.237 30.300 -0.336 0.000 1.208 260 R HN -0.234 nan 8.270 nan 0.000 0.477 261 E N 1.341 121.509 120.200 -0.053 0.000 2.097 261 E HA -0.209 4.141 4.350 -0.001 0.000 0.196 261 E C 1.163 177.836 176.600 0.122 0.000 1.000 261 E CA 1.888 58.294 56.400 0.010 0.000 0.804 261 E CB 0.060 29.734 29.700 -0.043 0.000 0.740 261 E HN 0.597 nan 8.360 nan 0.000 0.454 262 E N -0.698 119.546 120.200 0.074 0.000 2.338 262 E HA -0.140 4.209 4.350 -0.001 0.000 0.197 262 E C 1.408 178.289 176.600 0.469 0.000 1.007 262 E CA 0.474 57.016 56.400 0.236 0.000 0.849 262 E CB -0.167 29.617 29.700 0.141 0.000 0.774 262 E HN 0.333 nan 8.360 nan 0.000 0.506 263 W N 0.733 122.101 121.300 0.114 0.000 2.863 263 W HA 0.191 4.851 4.660 -0.000 0.000 0.258 263 W C 1.487 178.048 176.519 0.070 0.000 1.298 263 W CA -0.166 57.225 57.345 0.076 0.000 1.451 263 W CB -0.160 29.311 29.460 0.019 0.000 1.107 263 W HN 0.051 nan 8.180 nan 0.000 0.641 264 K N -0.157 120.439 120.400 0.327 0.000 1.991 264 K HA -0.226 4.093 4.320 -0.001 0.000 0.212 264 K C 1.958 178.839 176.600 0.468 0.000 1.049 264 K CA 1.803 58.241 56.287 0.250 0.000 0.932 264 K CB -0.945 31.653 32.500 0.163 0.000 0.717 264 K HN -0.081 nan 8.250 nan 0.000 0.441 265 F N 3.236 123.455 119.950 0.449 0.000 2.032 265 F HA -0.363 4.164 4.527 -0.000 0.000 0.297 265 F C 1.814 177.706 175.800 0.153 0.000 1.125 265 F CA 1.883 60.071 58.000 0.313 0.000 1.202 265 F CB -0.787 38.366 39.000 0.256 0.000 0.958 265 F HN 0.139 nan 8.300 nan 0.000 0.491 266 D N -0.379 119.933 120.400 -0.147 0.000 2.133 266 D HA -0.210 4.430 4.640 -0.001 0.000 0.192 266 D C 2.185 178.369 176.300 -0.193 0.000 1.001 266 D CA 2.486 56.292 54.000 -0.323 0.000 0.844 266 D CB -0.732 39.950 40.800 -0.197 0.000 0.944 266 D HN 0.358 nan 8.370 nan 0.000 0.447 267 T N 1.379 115.871 114.554 -0.104 0.000 2.803 267 T HA -0.165 4.185 4.350 -0.001 0.000 0.269 267 T C 1.818 176.525 174.700 0.012 0.000 1.052 267 T CA 0.492 62.509 62.100 -0.138 0.000 1.136 267 T CB -0.215 68.436 68.868 -0.362 0.000 0.864 267 T HN 0.034 nan 8.240 nan 0.000 0.467 268 L N 0.892 122.219 121.223 0.173 0.000 2.007 268 L HA 0.029 4.369 4.340 -0.001 0.000 0.205 268 L C 2.535 179.476 176.870 0.119 0.000 1.073 268 L CA 1.427 56.479 54.840 0.353 0.000 0.744 268 L CB -1.321 40.978 42.059 0.399 0.000 0.898 268 L HN 0.290 nan 8.230 nan 0.000 0.435 269 C N 0.327 119.555 119.300 -0.120 0.000 2.367 269 C HA -0.232 4.228 4.460 -0.001 0.000 0.276 269 C C 2.426 177.445 174.990 0.048 0.000 1.195 269 C CA 1.015 59.938 59.018 -0.159 0.000 1.756 269 C CB -1.257 26.273 27.740 -0.349 0.000 2.046 269 C HN 0.605 nan 8.230 nan 0.000 0.453 270 D N 0.306 120.701 120.400 -0.008 0.000 2.157 270 D HA -0.191 4.449 4.640 -0.001 0.000 0.191 270 D C 1.833 178.187 176.300 0.091 0.000 1.004 270 D CA 1.756 55.771 54.000 0.024 0.000 0.854 270 D CB -0.521 40.262 40.800 -0.030 0.000 0.936 270 D HN 0.484 nan 8.370 nan 0.000 0.446 271 L N -0.323 120.980 121.223 0.133 0.000 2.131 271 L HA -0.090 4.249 4.340 -0.001 0.000 0.206 271 L C 2.277 179.262 176.870 0.193 0.000 1.087 271 L CA 1.125 56.062 54.840 0.162 0.000 0.767 271 L CB -0.780 41.412 42.059 0.221 0.000 0.917 271 L HN 0.008 nan 8.230 nan 0.000 0.441 272 Y N 0.480 120.840 120.300 0.099 0.000 2.446 272 Y HA -0.278 4.272 4.550 -0.001 0.000 0.287 272 Y C 1.845 177.824 175.900 0.132 0.000 1.159 272 Y CA 1.781 59.948 58.100 0.111 0.000 1.297 272 Y CB -0.418 38.100 38.460 0.097 0.000 0.974 272 Y HN 0.386 nan 8.280 nan 0.000 0.557 273 D N -0.591 119.933 120.400 0.206 0.000 2.219 273 D HA -0.122 4.518 4.640 -0.001 0.000 0.205 273 D C 1.606 177.903 176.300 -0.006 0.000 0.970 273 D CA 1.823 55.895 54.000 0.120 0.000 0.851 273 D CB -0.171 40.702 40.800 0.121 0.000 0.943 273 D HN 0.524 nan 8.370 nan 0.000 0.488 274 T N -1.963 112.583 114.554 -0.012 0.000 3.228 274 T HA 0.261 4.611 4.350 -0.001 0.000 0.278 274 T C 1.334 175.998 174.700 -0.059 0.000 1.014 274 T CA -0.387 61.697 62.100 -0.028 0.000 0.904 274 T CB -0.038 68.832 68.868 0.004 0.000 1.110 274 T HN 0.058 nan 8.240 nan 0.000 0.541 275 L N 1.454 122.581 121.223 -0.159 0.000 2.296 275 L HA 0.142 4.482 4.340 -0.001 0.000 0.193 275 L C 2.463 179.185 176.870 -0.247 0.000 1.123 275 L CA 1.002 55.725 54.840 -0.195 0.000 0.805 275 L CB -0.635 41.271 42.059 -0.256 0.000 1.004 275 L HN 0.317 nan 8.230 nan 0.000 0.478 276 T N -0.466 113.800 114.554 -0.479 0.000 2.946 276 T HA -0.215 4.135 4.350 -0.001 0.000 0.270 276 T C 1.855 176.470 174.700 -0.143 0.000 1.129 276 T CA 1.512 63.441 62.100 -0.286 0.000 1.103 276 T CB -1.009 67.690 68.868 -0.283 0.000 0.839 276 T HN 0.394 nan 8.240 nan 0.000 0.544 277 I N 1.260 121.752 120.570 -0.130 0.000 2.229 277 I HA -0.194 3.975 4.170 -0.001 0.000 0.250 277 I C 1.731 177.814 176.117 -0.058 0.000 1.096 277 I CA 1.453 62.709 61.300 -0.072 0.000 1.358 277 I CB -0.461 37.509 38.000 -0.051 0.000 1.047 277 I HN 0.442 nan 8.210 nan 0.000 0.422 278 T N -1.884 112.634 114.554 -0.059 0.000 2.804 278 T HA 0.343 4.692 4.350 -0.001 0.000 0.290 278 T C -0.374 174.303 174.700 -0.039 0.000 1.099 278 T CA -0.757 61.315 62.100 -0.047 0.000 1.011 278 T CB 1.590 70.442 68.868 -0.026 0.000 1.291 278 T HN 0.074 nan 8.240 nan 0.000 0.523 279 Q N 0.030 119.805 119.800 -0.041 0.000 2.370 279 Q HA 0.679 5.018 4.340 -0.001 0.000 0.186 279 Q C -0.507 175.577 176.000 0.141 0.000 1.093 279 Q CA -0.754 55.064 55.803 0.025 0.000 1.142 279 Q CB 0.668 29.280 28.738 -0.210 0.000 1.175 279 Q HN 0.900 nan 8.270 nan 0.000 0.625 280 A N -0.332 122.682 122.820 0.324 0.000 2.590 280 A HA 0.503 4.822 4.320 -0.001 0.000 0.296 280 A C -1.658 176.009 177.584 0.139 0.000 1.050 280 A CA -0.590 51.562 52.037 0.191 0.000 0.697 280 A CB 1.254 20.318 19.000 0.107 0.000 1.277 280 A HN 0.307 nan 8.150 nan 0.000 0.411 281 V N 2.414 122.319 119.914 -0.016 0.000 2.448 281 V HA 0.522 4.641 4.120 -0.001 0.000 0.295 281 V C -0.499 175.440 176.094 -0.259 0.000 1.025 281 V CA -0.214 61.930 62.300 -0.261 0.000 0.859 281 V CB 1.401 33.011 31.823 -0.355 0.000 0.988 281 V HN 0.681 nan 8.190 nan 0.000 0.431 282 I N 5.131 125.523 120.570 -0.296 0.000 2.378 282 I HA 0.450 4.620 4.170 -0.001 0.000 0.291 282 I C -0.353 175.640 176.117 -0.207 0.000 0.992 282 I CA -0.119 61.074 61.300 -0.178 0.000 1.154 282 I CB 1.421 39.344 38.000 -0.127 0.000 1.315 282 I HN 0.414 nan 8.210 nan 0.000 0.448 283 F N 4.158 124.141 119.950 0.054 0.000 2.348 283 F HA 0.590 5.117 4.527 -0.001 0.000 0.308 283 F C 0.549 176.434 175.800 0.142 0.000 1.175 283 F CA 0.080 58.138 58.000 0.096 0.000 1.080 283 F CB 1.160 40.221 39.000 0.102 0.000 1.341 283 F HN 0.375 nan 8.300 nan 0.000 0.518 284 C N 0.284 119.827 119.300 0.406 0.000 3.312 284 C HA 0.184 4.644 4.460 -0.001 0.000 0.332 284 C C 0.461 175.594 174.990 0.238 0.000 1.340 284 C CA -1.086 58.117 59.018 0.308 0.000 1.265 284 C CB 1.671 29.575 27.740 0.273 0.000 1.563 284 C HN 0.847 nan 8.230 nan 0.000 0.471 285 N N -0.124 118.683 118.700 0.178 0.000 2.388 285 N HA 0.102 4.842 4.740 -0.001 0.000 0.176 285 N C 0.152 175.717 175.510 0.092 0.000 1.062 285 N CA 0.681 53.801 53.050 0.116 0.000 0.895 285 N CB 0.365 38.900 38.487 0.081 0.000 1.018 285 N HN 0.887 nan 8.380 nan 0.000 0.456 286 T N -3.437 111.179 114.554 0.104 0.000 2.906 286 T HA 0.337 4.687 4.350 -0.001 0.000 0.295 286 T C 0.675 175.424 174.700 0.080 0.000 1.061 286 T CA -0.934 61.208 62.100 0.070 0.000 1.000 286 T CB 2.789 71.685 68.868 0.046 0.000 1.103 286 T HN -0.130 nan 8.240 nan 0.000 0.486 287 K N 1.244 121.656 120.400 0.021 0.000 1.977 287 K HA -0.223 4.096 4.320 -0.001 0.000 0.218 287 K C 2.397 179.030 176.600 0.054 0.000 1.051 287 K CA 1.953 58.228 56.287 -0.021 0.000 0.953 287 K CB -0.319 32.050 32.500 -0.217 0.000 0.727 287 K HN 0.745 nan 8.250 nan 0.000 0.445 288 R N 0.669 121.186 120.500 0.029 0.000 2.185 288 R HA -0.209 4.130 4.340 -0.001 0.000 0.247 288 R C 2.047 178.434 176.300 0.144 0.000 1.159 288 R CA 2.134 58.274 56.100 0.067 0.000 0.988 288 R CB -0.349 29.966 30.300 0.025 0.000 0.871 288 R HN 0.186 nan 8.270 nan 0.000 0.458 289 K N 0.584 121.075 120.400 0.152 0.000 2.305 289 K HA 0.033 4.352 4.320 -0.001 0.000 0.199 289 K C 1.697 178.459 176.600 0.271 0.000 1.047 289 K CA 0.539 56.971 56.287 0.241 0.000 0.976 289 K CB 0.398 33.030 32.500 0.219 0.000 0.765 289 K HN 0.095 nan 8.250 nan 0.000 0.474 290 V N 1.156 121.189 119.914 0.198 0.000 2.300 290 V HA -0.184 3.936 4.120 -0.001 0.000 0.241 290 V C 1.507 177.663 176.094 0.104 0.000 1.034 290 V CA 1.693 64.074 62.300 0.135 0.000 1.021 290 V CB -0.407 31.501 31.823 0.142 0.000 0.662 290 V HN 0.286 nan 8.190 nan 0.000 0.458 291 D N -0.719 119.772 120.400 0.151 0.000 2.154 291 D HA -0.272 4.367 4.640 -0.001 0.000 0.190 291 D C 1.632 177.993 176.300 0.101 0.000 1.003 291 D CA 1.952 56.024 54.000 0.119 0.000 0.849 291 D CB -0.378 40.509 40.800 0.145 0.000 0.942 291 D HN 0.593 nan 8.370 nan 0.000 0.446 292 W N 1.188 122.482 121.300 -0.010 0.000 2.329 292 W HA -0.204 4.456 4.660 -0.000 0.000 0.324 292 W C 2.262 178.721 176.519 -0.100 0.000 1.222 292 W CA 1.268 58.588 57.345 -0.042 0.000 1.270 292 W CB -0.932 28.517 29.460 -0.019 0.000 1.167 292 W HN 0.033 nan 8.180 nan 0.000 0.467 293 L N 0.848 122.002 121.223 -0.115 0.000 2.043 293 L HA -0.250 4.090 4.340 -0.001 0.000 0.212 293 L C 2.315 178.911 176.870 -0.456 0.000 1.075 293 L CA 2.921 57.492 54.840 -0.447 0.000 0.752 293 L CB -1.437 40.462 42.059 -0.266 0.000 0.891 293 L HN 0.043 nan 8.230 nan 0.000 0.432 294 T N -0.761 113.637 114.554 -0.260 0.000 2.569 294 T HA -0.272 4.077 4.350 -0.001 0.000 0.263 294 T C 1.691 176.247 174.700 -0.240 0.000 1.074 294 T CA 1.643 63.619 62.100 -0.207 0.000 1.176 294 T CB -0.350 68.447 68.868 -0.117 0.000 0.863 294 T HN 0.513 nan 8.240 nan 0.000 0.410 295 E N 0.689 120.758 120.200 -0.219 0.000 2.065 295 E HA -0.297 4.052 4.350 -0.001 0.000 0.201 295 E C 2.162 178.569 176.600 -0.322 0.000 1.016 295 E CA 1.667 57.942 56.400 -0.207 0.000 0.818 295 E CB -0.105 29.506 29.700 -0.149 0.000 0.749 295 E HN 0.149 nan 8.360 nan 0.000 0.453 296 K N -0.170 119.864 120.400 -0.609 0.000 2.280 296 K HA -0.051 4.269 4.320 -0.001 0.000 0.202 296 K C 1.870 178.110 176.600 -0.601 0.000 1.047 296 K CA 1.206 57.005 56.287 -0.812 0.000 0.942 296 K CB 0.007 31.529 32.500 -1.630 0.000 0.739 296 K HN 0.234 nan 8.250 nan 0.000 0.457 297 M N -1.109 118.230 119.600 -0.435 0.000 2.486 297 M HA 0.041 4.521 4.480 -0.001 0.000 0.264 297 M C 1.612 177.938 176.300 0.042 0.000 1.125 297 M CA 0.764 55.934 55.300 -0.216 0.000 1.144 297 M CB 0.251 32.659 32.600 -0.320 0.000 1.353 297 M HN 0.013 nan 8.290 nan 0.000 0.466 298 R N 0.568 121.041 120.500 -0.044 0.000 2.161 298 R HA -0.092 4.248 4.340 -0.001 0.000 0.213 298 R C 1.687 177.995 176.300 0.015 0.000 1.055 298 R CA 1.136 57.243 56.100 0.012 0.000 0.996 298 R CB -0.134 30.150 30.300 -0.027 0.000 0.901 298 R HN 0.505 nan 8.270 nan 0.000 0.456 299 E N 0.262 120.450 120.200 -0.020 0.000 2.511 299 E HA 0.008 4.358 4.350 -0.001 0.000 0.196 299 E C 1.009 177.636 176.600 0.044 0.000 1.066 299 E CA 0.726 57.123 56.400 -0.005 0.000 0.871 299 E CB 0.363 30.042 29.700 -0.036 0.000 0.863 299 E HN 0.218 nan 8.360 nan 0.000 0.520 300 A N 1.270 124.154 122.820 0.107 0.000 2.469 300 A HA 0.164 4.483 4.320 -0.001 0.000 0.245 300 A C 0.123 177.791 177.584 0.139 0.000 1.221 300 A CA -0.059 52.096 52.037 0.197 0.000 0.946 300 A CB -0.169 19.059 19.000 0.380 0.000 1.049 300 A HN 0.335 nan 8.150 nan 0.000 0.529 301 N N -1.207 117.545 118.700 0.087 0.000 2.483 301 N HA -0.141 4.599 4.740 -0.001 0.000 0.280 301 N C -1.673 173.623 175.510 -0.356 0.000 1.315 301 N CA 0.371 53.370 53.050 -0.085 0.000 0.637 301 N CB -0.677 37.713 38.487 -0.163 0.000 0.893 301 N HN 0.315 nan 8.380 nan 0.000 0.535 302 F N 0.240 120.153 119.950 -0.062 0.000 2.628 302 F HA 0.216 4.743 4.527 -0.000 0.000 0.309 302 F C 0.598 176.393 175.800 -0.008 0.000 1.108 302 F CA -0.675 57.282 58.000 -0.072 0.000 0.971 302 F CB 1.815 40.668 39.000 -0.245 0.000 1.279 302 F HN 0.031 nan 8.300 nan 0.000 0.441 303 T N 3.908 118.590 114.554 0.213 0.000 2.776 303 T HA 0.552 4.902 4.350 -0.001 0.000 0.292 303 T C -0.533 174.268 174.700 0.169 0.000 0.921 303 T CA -0.303 61.891 62.100 0.156 0.000 1.038 303 T CB -0.745 68.205 68.868 0.136 0.000 0.910 303 T HN 0.577 nan 8.240 nan 0.000 0.536 304 V N 1.958 121.937 119.914 0.109 0.000 3.158 304 V HA 0.950 5.069 4.120 -0.001 0.000 0.315 304 V C -0.155 175.966 176.094 0.045 0.000 1.148 304 V CA -1.092 61.253 62.300 0.075 0.000 1.042 304 V CB 1.874 33.703 31.823 0.010 0.000 1.101 304 V HN 0.704 nan 8.190 nan 0.000 0.448 305 S N 0.764 116.465 115.700 0.001 0.000 2.706 305 S HA 0.635 5.105 4.470 -0.001 0.000 0.270 305 S C -0.656 173.874 174.600 -0.117 0.000 1.163 305 S CA 0.111 58.292 58.200 -0.030 0.000 1.042 305 S CB 0.860 64.078 63.200 0.030 0.000 1.079 305 S HN 1.859 nan 8.310 nan 0.000 0.474 306 S N 4.845 120.466 115.700 -0.132 0.000 2.503 306 S HA 0.925 5.395 4.470 -0.001 0.000 0.301 306 S C -0.384 174.051 174.600 -0.274 0.000 1.087 306 S CA -0.746 57.341 58.200 -0.188 0.000 1.042 306 S CB 1.314 64.419 63.200 -0.158 0.000 1.043 306 S HN 0.899 nan 8.310 nan 0.000 0.489 307 M N 0.557 119.962 119.600 -0.325 0.000 2.683 307 M HA 0.853 5.332 4.480 -0.001 0.000 0.274 307 M C -1.266 174.799 176.300 -0.392 0.000 1.272 307 M CA -0.783 54.246 55.300 -0.451 0.000 0.833 307 M CB 1.905 34.320 32.600 -0.308 0.000 1.708 307 M HN 0.965 nan 8.290 nan 0.000 0.463 308 H N -1.654 117.351 119.070 -0.108 0.000 2.917 308 H HA 0.632 5.188 4.556 -0.001 0.000 0.269 308 H C 0.496 175.767 175.328 -0.095 0.000 1.488 308 H CA -0.705 55.289 56.048 -0.090 0.000 1.173 308 H CB 0.213 29.949 29.762 -0.043 0.000 1.868 308 H HN 0.763 nan 8.280 nan 0.000 0.600 309 G N -0.759 108.111 108.800 0.116 0.000 2.448 309 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.219 309 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.219 309 G C 0.312 175.232 174.900 0.033 0.000 1.127 309 G CA 0.849 45.967 45.100 0.030 0.000 0.766 309 G HN 0.660 nan 8.290 nan 0.000 0.552 310 D N 0.606 121.037 120.400 0.051 0.000 2.332 310 D HA 0.080 4.719 4.640 -0.001 0.000 0.244 310 D C 0.787 177.130 176.300 0.072 0.000 1.136 310 D CA 0.364 54.381 54.000 0.027 0.000 0.884 310 D CB 0.044 40.819 40.800 -0.042 0.000 0.906 310 D HN 0.335 nan 8.370 nan 0.000 0.520 311 M N 1.687 121.334 119.600 0.079 0.000 2.300 311 M HA 0.273 4.752 4.480 -0.001 0.000 0.348 311 M C -2.285 174.020 176.300 0.008 0.000 1.151 311 M CA -1.903 53.421 55.300 0.040 0.000 1.046 311 M CB 1.865 34.470 32.600 0.009 0.000 1.647 311 M HN -0.310 nan 8.290 nan 0.000 0.451 312 P HA -0.051 nan 4.420 nan 0.000 0.265 312 P C -0.052 177.246 177.300 -0.002 0.000 1.193 312 P CA 0.148 63.251 63.100 0.004 0.000 0.765 312 P CB 0.794 32.499 31.700 0.007 0.000 0.823 313 Q N 3.788 123.588 119.800 0.001 0.000 2.182 313 Q HA -0.255 4.085 4.340 -0.001 0.000 0.213 313 Q C 2.066 178.069 176.000 0.005 0.000 1.000 313 Q CA 2.292 58.096 55.803 0.002 0.000 0.889 313 Q CB -0.602 28.142 28.738 0.011 0.000 0.932 313 Q HN 0.531 nan 8.270 nan 0.000 0.415 314 K N -0.247 120.158 120.400 0.009 0.000 2.001 314 K HA -0.209 4.111 4.320 -0.001 0.000 0.208 314 K C 2.079 178.684 176.600 0.008 0.000 1.048 314 K CA 1.589 57.884 56.287 0.012 0.000 0.932 314 K CB -0.289 32.219 32.500 0.014 0.000 0.715 314 K HN 0.398 nan 8.250 nan 0.000 0.437 315 E N 0.437 120.637 120.200 0.001 0.000 2.085 315 E HA -0.244 4.106 4.350 -0.001 0.000 0.194 315 E C 1.933 178.523 176.600 -0.018 0.000 0.994 315 E CA 0.985 57.381 56.400 -0.007 0.000 0.801 315 E CB 0.076 29.769 29.700 -0.012 0.000 0.743 315 E HN 0.209 nan 8.360 nan 0.000 0.453 316 R N 0.831 121.313 120.500 -0.030 0.000 2.154 316 R HA -0.246 4.094 4.340 -0.001 0.000 0.236 316 R C 2.435 178.722 176.300 -0.022 0.000 1.121 316 R CA 2.293 58.359 56.100 -0.056 0.000 0.915 316 R CB -1.204 29.055 30.300 -0.068 0.000 0.856 316 R HN 0.605 nan 8.270 nan 0.000 0.431 317 E N 0.624 120.831 120.200 0.012 0.000 2.204 317 E HA -0.115 4.234 4.350 -0.001 0.000 0.194 317 E C 1.879 178.510 176.600 0.050 0.000 0.989 317 E CA 1.315 57.746 56.400 0.051 0.000 0.824 317 E CB -0.242 29.493 29.700 0.058 0.000 0.756 317 E HN 0.210 nan 8.360 nan 0.000 0.477 318 S N 0.578 116.296 115.700 0.030 0.000 2.399 318 S HA -0.125 4.344 4.470 -0.001 0.000 0.231 318 S C 1.943 176.566 174.600 0.039 0.000 1.022 318 S CA 0.972 59.191 58.200 0.031 0.000 0.983 318 S CB -0.208 63.002 63.200 0.018 0.000 0.803 318 S HN 0.285 nan 8.310 nan 0.000 0.480 319 I N 1.967 122.555 120.570 0.030 0.000 2.193 319 I HA -0.095 4.075 4.170 -0.001 0.000 0.240 319 I C 2.545 178.721 176.117 0.098 0.000 1.084 319 I CA 1.109 62.431 61.300 0.037 0.000 1.365 319 I CB -1.571 36.419 38.000 -0.017 0.000 1.064 319 I HN 0.358 nan 8.210 nan 0.000 0.410 320 M N 1.078 120.748 119.600 0.118 0.000 2.110 320 M HA -0.266 4.214 4.480 -0.001 0.000 0.257 320 M C 2.216 178.627 176.300 0.185 0.000 1.071 320 M CA 1.835 57.255 55.300 0.200 0.000 1.096 320 M CB -1.560 31.164 32.600 0.207 0.000 1.300 320 M HN 0.241 nan 8.290 nan 0.000 0.411 321 K N 0.066 120.539 120.400 0.121 0.000 2.107 321 K HA -0.218 4.102 4.320 -0.001 0.000 0.211 321 K C 1.945 178.597 176.600 0.087 0.000 1.049 321 K CA 1.811 58.150 56.287 0.088 0.000 0.927 321 K CB -0.232 32.306 32.500 0.062 0.000 0.714 321 K HN 0.489 nan 8.250 nan 0.000 0.452 322 E N 0.116 120.377 120.200 0.102 0.000 1.996 322 E HA -0.205 4.144 4.350 -0.001 0.000 0.197 322 E C 1.859 178.541 176.600 0.137 0.000 1.002 322 E CA 1.369 57.829 56.400 0.101 0.000 0.840 322 E CB -0.313 29.448 29.700 0.102 0.000 0.786 322 E HN 0.165 nan 8.360 nan 0.000 0.469 323 F N 1.965 121.929 119.950 0.024 0.000 2.027 323 F HA -0.318 4.208 4.527 -0.001 0.000 0.297 323 F C 2.573 178.388 175.800 0.024 0.000 1.129 323 F CA 2.190 60.205 58.000 0.025 0.000 1.195 323 F CB -0.340 38.679 39.000 0.032 0.000 0.960 323 F HN -0.112 nan 8.300 nan 0.000 0.485 324 R N 0.253 120.830 120.500 0.128 0.000 2.162 324 R HA -0.321 4.019 4.340 -0.001 0.000 0.245 324 R C 2.673 178.916 176.300 -0.096 0.000 1.129 324 R CA 2.639 58.737 56.100 -0.002 0.000 0.940 324 R CB -0.971 29.378 30.300 0.081 0.000 0.875 324 R HN 0.570 nan 8.270 nan 0.000 0.437 325 S N -1.777 113.901 115.700 -0.037 0.000 2.359 325 S HA -0.126 4.343 4.470 -0.001 0.000 0.222 325 S C 1.422 175.969 174.600 -0.088 0.000 1.038 325 S CA 1.981 60.156 58.200 -0.040 0.000 1.051 325 S CB -0.173 63.023 63.200 -0.008 0.000 0.944 325 S HN 0.713 nan 8.310 nan 0.000 0.433 326 G N -0.627 108.100 108.800 -0.121 0.000 2.507 326 G HA2 0.185 4.145 3.960 -0.001 0.000 0.205 326 G HA3 0.185 4.145 3.960 -0.001 0.000 0.205 326 G C 0.538 175.392 174.900 -0.077 0.000 0.996 326 G CA 0.050 45.058 45.100 -0.153 0.000 0.776 326 G HN 1.203 nan 8.290 nan 0.000 0.532 327 A N 0.430 123.234 122.820 -0.026 0.000 2.250 327 A HA 0.596 4.916 4.320 -0.001 0.000 0.208 327 A C 1.157 178.778 177.584 0.063 0.000 1.254 327 A CA 1.509 53.559 52.037 0.022 0.000 0.858 327 A CB -0.619 18.402 19.000 0.036 0.000 0.820 327 A HN 2.007 nan 8.150 nan 0.000 0.484 328 S N -2.308 113.437 115.700 0.075 0.000 2.586 328 S HA 0.357 4.827 4.470 -0.001 0.000 0.296 328 S C 0.078 174.788 174.600 0.183 0.000 1.120 328 S CA -0.821 57.475 58.200 0.160 0.000 0.927 328 S CB 0.762 64.108 63.200 0.242 0.000 1.114 328 S HN 0.182 nan 8.310 nan 0.000 0.453 329 R N 1.031 121.639 120.500 0.180 0.000 2.316 329 R HA 0.265 4.604 4.340 -0.001 0.000 0.202 329 R C -0.008 176.475 176.300 0.305 0.000 1.029 329 R CA 0.418 56.624 56.100 0.177 0.000 1.018 329 R CB -0.338 30.062 30.300 0.168 0.000 0.888 329 R HN 0.605 nan 8.270 nan 0.000 0.471 330 V N 0.978 121.132 119.914 0.400 0.000 2.924 330 V HA 0.212 4.331 4.120 -0.001 0.000 0.300 330 V C -1.600 174.568 176.094 0.123 0.000 1.227 330 V CA -1.158 61.349 62.300 0.345 0.000 0.954 330 V CB 2.580 34.572 31.823 0.282 0.000 1.055 330 V HN -0.048 nan 8.190 nan 0.000 0.429 331 L N 6.454 127.520 121.223 -0.261 0.000 2.343 331 L HA 0.723 5.063 4.340 -0.001 0.000 0.278 331 L C -0.932 175.690 176.870 -0.413 0.000 0.996 331 L CA 0.197 54.668 54.840 -0.615 0.000 0.831 331 L CB 1.261 42.339 42.059 -1.636 0.000 1.232 331 L HN 0.551 nan 8.230 nan 0.000 0.413 332 I N 4.176 124.575 120.570 -0.285 0.000 2.412 332 I HA 0.683 4.852 4.170 -0.001 0.000 0.296 332 I C 0.111 176.102 176.117 -0.210 0.000 0.987 332 I CA -0.351 60.809 61.300 -0.232 0.000 1.180 332 I CB 1.773 39.670 38.000 -0.172 0.000 1.340 332 I HN 0.768 nan 8.210 nan 0.000 0.455 333 S N 3.126 118.719 115.700 -0.178 0.000 2.636 333 S HA 0.514 4.984 4.470 -0.001 0.000 0.268 333 S C -0.538 174.137 174.600 0.125 0.000 1.159 333 S CA -0.481 57.669 58.200 -0.083 0.000 0.815 333 S CB 1.781 64.884 63.200 -0.161 0.000 1.130 333 S HN 0.770 nan 8.310 nan 0.000 0.471 334 T N -0.517 114.133 114.554 0.161 0.000 2.862 334 T HA 0.437 4.787 4.350 -0.001 0.000 0.276 334 T C -0.160 174.755 174.700 0.359 0.000 0.974 334 T CA -0.427 61.819 62.100 0.245 0.000 0.966 334 T CB 0.728 69.684 68.868 0.146 0.000 1.072 334 T HN 0.500 nan 8.240 nan 0.000 0.538 335 D N 1.899 122.460 120.400 0.268 0.000 2.598 335 D HA 0.071 4.711 4.640 -0.001 0.000 0.231 335 D C 0.595 177.032 176.300 0.228 0.000 1.127 335 D CA -0.067 54.079 54.000 0.243 0.000 1.126 335 D CB -0.479 40.338 40.800 0.028 0.000 1.124 335 D HN 0.531 nan 8.370 nan 0.000 0.485 336 V N 0.786 120.811 119.914 0.185 0.000 2.125 336 V HA 0.438 4.557 4.120 -0.001 0.000 0.263 336 V C -0.572 175.311 176.094 -0.351 0.000 1.365 336 V CA -0.783 61.420 62.300 -0.162 0.000 1.276 336 V CB -0.360 31.183 31.823 -0.467 0.000 1.350 336 V HN 0.247 nan 8.190 nan 0.000 0.487 337 W N 1.443 122.853 121.300 0.183 0.000 3.775 337 W HA 0.583 5.242 4.660 -0.001 0.000 0.315 337 W C 0.646 177.275 176.519 0.182 0.000 1.169 337 W CA -0.375 57.059 57.345 0.147 0.000 1.266 337 W CB 2.184 31.712 29.460 0.114 0.000 1.269 337 W HN 0.452 nan 8.180 nan 0.000 0.471 338 A N 4.137 127.135 122.820 0.296 0.000 1.834 338 A HA -0.123 4.197 4.320 -0.001 0.000 0.216 338 A C 1.554 179.302 177.584 0.273 0.000 1.203 338 A CA 1.348 53.524 52.037 0.232 0.000 0.621 338 A CB -0.340 18.751 19.000 0.151 0.000 0.841 338 A HN 0.581 nan 8.150 nan 0.000 0.446 339 R N -2.194 118.415 120.500 0.183 0.000 2.983 339 R HA 0.328 4.668 4.340 -0.001 0.000 0.241 339 R C 1.668 177.901 176.300 -0.112 0.000 1.202 339 R CA 0.246 56.398 56.100 0.086 0.000 1.080 339 R CB -0.243 30.084 30.300 0.044 0.000 1.019 339 R HN 0.407 nan 8.270 nan 0.000 0.527 340 G N -0.249 108.409 108.800 -0.238 0.000 2.742 340 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.204 340 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.204 340 G C 1.204 175.902 174.900 -0.336 0.000 1.126 340 G CA -0.094 44.687 45.100 -0.532 0.000 0.829 340 G HN 0.192 nan 8.290 nan 0.000 0.574 341 L N 1.519 122.626 121.223 -0.194 0.000 2.127 341 L HA 0.041 4.381 4.340 -0.001 0.000 0.211 341 L C 0.715 177.464 176.870 -0.201 0.000 1.089 341 L CA 0.830 55.573 54.840 -0.161 0.000 0.757 341 L CB -0.322 41.683 42.059 -0.089 0.000 0.899 341 L HN 0.047 nan 8.230 nan 0.000 0.434 342 D N 1.363 121.649 120.400 -0.190 0.000 2.606 342 D HA 0.128 4.768 4.640 -0.001 0.000 0.234 342 D C -0.181 175.684 176.300 -0.726 0.000 1.140 342 D CA 0.383 54.243 54.000 -0.233 0.000 1.182 342 D CB -0.132 40.681 40.800 0.021 0.000 1.130 342 D HN 0.066 nan 8.370 nan 0.000 0.485 343 V N -0.737 118.779 119.914 -0.663 0.000 3.141 343 V HA 0.570 4.690 4.120 -0.001 0.000 0.312 343 V C -2.493 173.289 176.094 -0.520 0.000 1.157 343 V CA -1.914 59.800 62.300 -0.976 0.000 1.041 343 V CB 2.164 33.619 31.823 -0.614 0.000 1.071 343 V HN -0.051 nan 8.190 nan 0.000 0.441 344 P HA 0.128 nan 4.420 nan 0.000 0.212 344 P C 0.163 177.446 177.300 -0.029 0.000 1.816 344 P CA -0.276 62.779 63.100 -0.075 0.000 0.944 344 P CB -0.215 31.569 31.700 0.139 0.000 1.896 345 Q N 0.137 119.882 119.800 -0.091 0.000 3.910 345 Q HA -0.087 4.252 4.340 -0.001 0.000 0.382 345 Q C -0.652 175.337 176.000 -0.017 0.000 1.094 345 Q CA 0.282 56.050 55.803 -0.059 0.000 1.335 345 Q CB -0.433 28.269 28.738 -0.061 0.000 0.996 345 Q HN 0.175 nan 8.270 nan 0.000 0.454 346 V N 2.845 122.762 119.914 0.005 0.000 3.770 346 V HA 0.375 4.494 4.120 -0.001 0.000 0.288 346 V C 0.894 176.991 176.094 0.005 0.000 1.291 346 V CA 0.263 62.573 62.300 0.018 0.000 0.948 346 V CB 1.998 33.869 31.823 0.080 0.000 1.269 346 V HN 0.898 nan 8.190 nan 0.000 0.469 347 S N 0.187 115.893 115.700 0.010 0.000 2.512 347 S HA 0.337 4.806 4.470 -0.001 0.000 0.216 347 S C -0.286 174.324 174.600 0.018 0.000 1.006 347 S CA 0.042 58.246 58.200 0.006 0.000 0.915 347 S CB 0.448 63.648 63.200 0.000 0.000 0.824 347 S HN 0.559 nan 8.310 nan 0.000 0.497 348 L N 2.115 123.359 121.223 0.034 0.000 2.491 348 L HA 0.601 4.941 4.340 -0.001 0.000 0.267 348 L C -1.617 175.281 176.870 0.047 0.000 0.971 348 L CA -0.753 54.113 54.840 0.043 0.000 0.857 348 L CB 1.576 43.665 42.059 0.049 0.000 1.226 348 L HN 0.126 nan 8.230 nan 0.000 0.408 349 I N 5.822 126.419 120.570 0.045 0.000 2.412 349 I HA 0.421 4.591 4.170 -0.001 0.000 0.296 349 I C -0.316 175.839 176.117 0.064 0.000 0.987 349 I CA -0.422 60.916 61.300 0.063 0.000 1.180 349 I CB 1.933 39.995 38.000 0.103 0.000 1.340 349 I HN 0.558 nan 8.210 nan 0.000 0.455 350 I N 6.005 126.604 120.570 0.048 0.000 2.448 350 I HA 0.214 4.384 4.170 -0.001 0.000 0.281 350 I C 0.076 176.206 176.117 0.021 0.000 1.027 350 I CA -0.521 60.765 61.300 -0.024 0.000 1.111 350 I CB 1.132 39.057 38.000 -0.124 0.000 1.236 350 I HN 0.396 nan 8.210 nan 0.000 0.452 351 N N 5.778 124.515 118.700 0.062 0.000 2.549 351 N HA -0.051 4.688 4.740 -0.001 0.000 0.267 351 N C 0.753 176.289 175.510 0.042 0.000 1.182 351 N CA 0.152 53.291 53.050 0.149 0.000 1.019 351 N CB 0.413 39.020 38.487 0.201 0.000 1.380 351 N HN 0.557 nan 8.380 nan 0.000 0.505 352 Y N 1.425 121.678 120.300 -0.078 0.000 2.333 352 Y HA -0.104 4.445 4.550 -0.001 0.000 0.290 352 Y C -0.143 175.865 175.900 0.180 0.000 1.144 352 Y CA 1.077 59.138 58.100 -0.065 0.000 1.228 352 Y CB 0.379 38.875 38.460 0.060 0.000 0.985 352 Y HN 0.308 nan 8.280 nan 0.000 0.542 353 D N -0.616 119.892 120.400 0.181 0.000 2.671 353 D HA 0.332 4.971 4.640 -0.001 0.000 0.232 353 D C -1.137 175.250 176.300 0.144 0.000 1.114 353 D CA -0.422 53.652 54.000 0.122 0.000 0.858 353 D CB 1.903 42.791 40.800 0.148 0.000 1.544 353 D HN -0.060 nan 8.370 nan 0.000 0.471 354 L N 2.809 124.101 121.223 0.114 0.000 2.357 354 L HA 0.442 4.781 4.340 -0.001 0.000 0.273 354 L C -1.852 175.068 176.870 0.084 0.000 1.080 354 L CA -1.447 53.463 54.840 0.117 0.000 0.803 354 L CB 1.448 43.553 42.059 0.076 0.000 1.174 354 L HN 0.162 nan 8.230 nan 0.000 0.443 355 P HA 0.138 nan 4.420 nan 0.000 0.277 355 P C -0.605 176.702 177.300 0.011 0.000 1.271 355 P CA -0.486 62.639 63.100 0.042 0.000 0.795 355 P CB 1.339 33.063 31.700 0.040 0.000 1.101 356 N N -0.676 118.016 118.700 -0.014 0.000 2.368 356 N HA -0.005 4.735 4.740 -0.001 0.000 0.178 356 N C 0.104 175.574 175.510 -0.066 0.000 1.076 356 N CA 0.358 53.386 53.050 -0.036 0.000 0.889 356 N CB 0.149 38.617 38.487 -0.031 0.000 1.040 356 N HN 0.387 nan 8.380 nan 0.000 0.463 357 N N 1.265 119.921 118.700 -0.072 0.000 2.469 357 N HA 0.146 4.885 4.740 -0.001 0.000 0.253 357 N C 0.697 176.120 175.510 -0.144 0.000 0.970 357 N CA -0.171 52.809 53.050 -0.117 0.000 0.940 357 N CB 1.006 39.431 38.487 -0.102 0.000 1.128 357 N HN -0.070 nan 8.380 nan 0.000 0.503 358 R N 1.999 122.337 120.500 -0.270 0.000 2.134 358 R HA -0.224 4.116 4.340 -0.001 0.000 0.248 358 R C 1.321 177.489 176.300 -0.220 0.000 1.143 358 R CA 1.577 57.461 56.100 -0.360 0.000 0.957 358 R CB -0.277 29.449 30.300 -0.958 0.000 0.867 358 R HN 0.550 nan 8.270 nan 0.000 0.441 359 E N 1.083 121.090 120.200 -0.322 0.000 2.284 359 E HA -0.179 4.170 4.350 -0.001 0.000 0.200 359 E C 1.354 178.041 176.600 0.145 0.000 1.008 359 E CA 1.315 57.719 56.400 0.006 0.000 0.829 359 E CB -0.049 29.654 29.700 0.006 0.000 0.744 359 E HN 0.485 nan 8.360 nan 0.000 0.491 360 L N -1.847 119.409 121.223 0.054 0.000 2.585 360 L HA 0.239 4.578 4.340 -0.001 0.000 0.226 360 L C 1.939 178.863 176.870 0.090 0.000 1.113 360 L CA 0.572 55.416 54.840 0.007 0.000 0.876 360 L CB -1.152 40.792 42.059 -0.193 0.000 1.072 360 L HN -0.006 nan 8.230 nan 0.000 0.468 361 Y N 0.611 120.937 120.300 0.044 0.000 2.081 361 Y HA -0.256 4.294 4.550 -0.001 0.000 0.280 361 Y C 2.503 178.379 175.900 -0.040 0.000 1.163 361 Y CA 2.145 60.246 58.100 0.002 0.000 1.135 361 Y CB -0.133 38.368 38.460 0.070 0.000 0.970 361 Y HN 0.223 nan 8.280 nan 0.000 0.498 362 I N 0.271 120.839 120.570 -0.003 0.000 2.286 362 I HA -0.312 3.857 4.170 -0.001 0.000 0.248 362 I C 2.452 178.518 176.117 -0.085 0.000 1.115 362 I CA 2.058 63.245 61.300 -0.189 0.000 1.392 362 I CB -1.138 36.857 38.000 -0.008 0.000 1.065 362 I HN 0.485 nan 8.210 nan 0.000 0.418 363 H N 1.132 120.164 119.070 -0.064 0.000 2.489 363 H HA -0.198 4.357 4.556 -0.001 0.000 0.295 363 H C 2.195 177.433 175.328 -0.151 0.000 1.082 363 H CA 1.737 57.750 56.048 -0.058 0.000 1.295 363 H CB 0.111 29.876 29.762 0.004 0.000 1.380 363 H HN 0.282 nan 8.280 nan 0.000 0.548 364 R N 0.576 121.012 120.500 -0.106 0.000 2.046 364 R HA 0.047 4.387 4.340 -0.001 0.000 0.223 364 R C 2.643 178.792 176.300 -0.253 0.000 1.179 364 R CA 1.486 57.375 56.100 -0.352 0.000 0.952 364 R CB -0.232 29.714 30.300 -0.591 0.000 0.843 364 R HN 0.447 nan 8.270 nan 0.000 0.439 365 I N -1.225 119.136 120.570 -0.349 0.000 3.883 365 I HA 0.390 4.560 4.170 -0.001 0.000 0.326 365 I C 0.582 176.557 176.117 -0.236 0.000 1.283 365 I CA -0.236 60.907 61.300 -0.262 0.000 1.161 365 I CB 0.046 37.829 38.000 -0.362 0.000 1.012 365 I HN 0.081 nan 8.210 nan 0.000 0.421 366 G N 2.482 111.138 108.800 -0.239 0.000 2.544 366 G HA2 0.341 4.301 3.960 -0.001 0.000 0.242 366 G HA3 0.341 4.301 3.960 -0.001 0.000 0.242 366 G C 0.092 174.910 174.900 -0.137 0.000 1.247 366 G CA -0.534 44.457 45.100 -0.181 0.000 0.840 366 G HN 0.626 nan 8.290 nan 0.000 0.578 367 R N -0.949 119.484 120.500 -0.111 0.000 3.024 367 R HA 0.687 5.027 4.340 -0.001 0.000 0.224 367 R C 0.965 177.214 176.300 -0.086 0.000 1.490 367 R CA -0.245 55.800 56.100 -0.091 0.000 1.057 367 R CB 0.632 30.887 30.300 -0.074 0.000 1.723 367 R HN 0.408 nan 8.270 nan 0.000 0.520 368 S N -1.718 113.937 115.700 -0.076 0.000 2.535 368 S HA 0.173 4.642 4.470 -0.001 0.000 0.214 368 S C 1.321 175.848 174.600 -0.123 0.000 0.980 368 S CA 0.423 58.568 58.200 -0.091 0.000 0.907 368 S CB -0.644 62.517 63.200 -0.065 0.000 0.790 368 S HN 0.950 nan 8.310 nan 0.000 0.510 369 G N 2.229 110.973 108.800 -0.094 0.000 4.843 369 G HA2 -0.480 3.480 3.960 -0.001 0.000 0.229 369 G HA3 -0.480 3.480 3.960 -0.001 0.000 0.229 369 G C 1.173 175.997 174.900 -0.127 0.000 1.384 369 G CA 0.885 45.926 45.100 -0.098 0.000 1.133 369 G HN 0.558 nan 8.290 nan 0.000 0.741 370 R N -0.673 119.676 120.500 -0.252 0.000 2.119 370 R HA 0.151 4.491 4.340 -0.001 0.000 0.222 370 R C 1.614 177.783 176.300 -0.218 0.000 1.088 370 R CA 1.778 57.659 56.100 -0.365 0.000 0.984 370 R CB -0.101 29.778 30.300 -0.701 0.000 0.884 370 R HN 0.590 nan 8.270 nan 0.000 0.447 371 Y N -1.933 118.340 120.300 -0.045 0.000 2.675 371 Y HA 0.440 4.990 4.550 -0.001 0.000 0.248 371 Y C 0.413 176.289 175.900 -0.040 0.000 1.161 371 Y CA -0.705 57.368 58.100 -0.044 0.000 1.203 371 Y CB 0.628 39.062 38.460 -0.044 0.000 1.262 371 Y HN -0.027 nan 8.280 nan 0.000 0.544 372 G N 0.850 109.683 108.800 0.056 0.000 2.400 372 G HA2 0.533 4.493 3.960 -0.001 0.000 0.333 372 G HA3 0.533 4.493 3.960 -0.001 0.000 0.333 372 G C -0.187 174.715 174.900 0.004 0.000 1.143 372 G CA -0.855 44.255 45.100 0.018 0.000 0.914 372 G HN 0.006 nan 8.290 nan 0.000 0.480 373 R N 0.613 121.112 120.500 -0.003 0.000 2.738 373 R HA 0.154 4.493 4.340 -0.001 0.000 0.268 373 R C 0.216 176.505 176.300 -0.018 0.000 1.062 373 R CA -0.029 56.067 56.100 -0.007 0.000 1.158 373 R CB 0.751 31.045 30.300 -0.011 0.000 1.046 373 R HN 0.421 nan 8.270 nan 0.000 0.493 374 K N 0.375 120.766 120.400 -0.016 0.000 2.202 374 K HA 0.334 4.654 4.320 -0.001 0.000 0.264 374 K C 0.305 176.891 176.600 -0.024 0.000 1.010 374 K CA -0.219 56.055 56.287 -0.022 0.000 0.940 374 K CB 1.375 33.865 32.500 -0.015 0.000 0.983 374 K HN 0.763 nan 8.250 nan 0.000 0.475 375 G N -0.007 108.773 108.800 -0.034 0.000 2.815 375 G HA2 0.565 4.525 3.960 -0.001 0.000 0.305 375 G HA3 0.565 4.525 3.960 -0.001 0.000 0.305 375 G C -1.614 173.259 174.900 -0.045 0.000 1.277 375 G CA -0.459 44.623 45.100 -0.032 0.000 0.795 375 G HN 0.372 nan 8.290 nan 0.000 0.528 376 V N -0.447 119.445 119.914 -0.036 0.000 2.971 376 V HA 0.814 4.934 4.120 -0.001 0.000 0.309 376 V C -0.527 175.549 176.094 -0.029 0.000 1.130 376 V CA -0.221 62.046 62.300 -0.054 0.000 0.964 376 V CB 1.800 33.625 31.823 0.004 0.000 1.029 376 V HN 1.610 nan 8.190 nan 0.000 0.427 377 A N 4.775 127.564 122.820 -0.052 0.000 2.398 377 A HA 0.917 5.236 4.320 -0.001 0.000 0.301 377 A C -1.298 176.336 177.584 0.083 0.000 1.041 377 A CA -0.411 51.633 52.037 0.013 0.000 0.711 377 A CB 1.262 20.249 19.000 -0.022 0.000 1.240 377 A HN 0.714 nan 8.150 nan 0.000 0.420 378 I N 2.530 123.185 120.570 0.142 0.000 2.404 378 I HA 0.289 4.458 4.170 -0.001 0.000 0.293 378 I C -0.641 175.601 176.117 0.209 0.000 0.992 378 I CA -0.648 60.795 61.300 0.238 0.000 1.149 378 I CB 1.888 40.042 38.000 0.258 0.000 1.315 378 I HN 0.581 nan 8.210 nan 0.000 0.446 379 N N 6.281 125.185 118.700 0.340 0.000 2.424 379 N HA 0.342 5.082 4.740 -0.001 0.000 0.271 379 N C -1.150 174.677 175.510 0.527 0.000 0.985 379 N CA -0.442 52.821 53.050 0.355 0.000 0.921 379 N CB 1.546 40.251 38.487 0.364 0.000 1.149 379 N HN 0.257 nan 8.380 nan 0.000 0.492 380 F N 1.965 122.046 119.950 0.219 0.000 2.390 380 F HA 0.173 4.699 4.527 -0.001 0.000 0.361 380 F C 0.673 176.548 175.800 0.125 0.000 1.124 380 F CA -1.336 56.765 58.000 0.167 0.000 1.149 380 F CB 0.393 39.452 39.000 0.098 0.000 1.160 380 F HN 0.057 nan 8.300 nan 0.000 0.501 381 V N 3.411 123.517 119.914 0.320 0.000 2.376 381 V HA 0.545 4.665 4.120 -0.001 0.000 0.287 381 V C -0.464 175.704 176.094 0.123 0.000 1.015 381 V CA -0.997 61.410 62.300 0.179 0.000 0.834 381 V CB 1.098 32.992 31.823 0.118 0.000 1.001 381 V HN 0.684 nan 8.190 nan 0.000 0.428 382 K N 3.186 123.631 120.400 0.074 0.000 2.144 382 K HA 0.509 4.828 4.320 -0.001 0.000 0.270 382 K C 0.604 177.217 176.600 0.022 0.000 1.005 382 K CA -0.525 55.789 56.287 0.046 0.000 0.932 382 K CB 0.884 33.393 32.500 0.015 0.000 1.021 382 K HN 0.454 nan 8.250 nan 0.000 0.462 383 N N 1.885 120.596 118.700 0.018 0.000 2.165 383 N HA -0.285 4.455 4.740 -0.001 0.000 0.200 383 N C 0.752 176.254 175.510 -0.014 0.000 0.991 383 N CA 2.269 55.320 53.050 0.002 0.000 0.904 383 N CB -0.546 37.938 38.487 -0.005 0.000 1.068 383 N HN 0.695 nan 8.380 nan 0.000 0.530 384 D N 0.093 120.481 120.400 -0.020 0.000 2.271 384 D HA -0.133 4.507 4.640 -0.001 0.000 0.207 384 D C 0.337 176.622 176.300 -0.025 0.000 0.983 384 D CA 1.064 55.049 54.000 -0.025 0.000 0.878 384 D CB -0.173 40.609 40.800 -0.030 0.000 0.920 384 D HN 0.484 nan 8.370 nan 0.000 0.479 385 D N -0.185 120.203 120.400 -0.020 0.000 2.369 385 D HA 0.012 4.652 4.640 -0.001 0.000 0.211 385 D C 1.905 178.177 176.300 -0.046 0.000 1.077 385 D CA -0.335 53.650 54.000 -0.026 0.000 0.842 385 D CB 0.194 40.989 40.800 -0.007 0.000 0.947 385 D HN 0.112 nan 8.370 nan 0.000 0.509 386 I N 1.855 122.397 120.570 -0.047 0.000 2.399 386 I HA -0.257 3.913 4.170 -0.001 0.000 0.254 386 I C 2.261 178.325 176.117 -0.090 0.000 1.146 386 I CA 1.198 62.450 61.300 -0.079 0.000 1.412 386 I CB -0.079 37.888 38.000 -0.056 0.000 1.076 386 I HN -0.087 nan 8.210 nan 0.000 0.432 387 R N 0.630 121.091 120.500 -0.065 0.000 2.056 387 R HA -0.101 4.239 4.340 -0.001 0.000 0.227 387 R C 2.388 178.645 176.300 -0.072 0.000 1.149 387 R CA 1.850 57.913 56.100 -0.062 0.000 0.937 387 R CB -0.522 29.750 30.300 -0.047 0.000 0.835 387 R HN 0.309 nan 8.270 nan 0.000 0.430 388 I N 1.550 122.079 120.570 -0.069 0.000 2.143 388 I HA -0.353 3.817 4.170 -0.001 0.000 0.245 388 I C 2.488 178.544 176.117 -0.101 0.000 1.068 388 I CA 1.246 62.499 61.300 -0.079 0.000 1.326 388 I CB -0.524 37.433 38.000 -0.071 0.000 1.028 388 I HN 0.316 nan 8.210 nan 0.000 0.412 389 L N 0.963 122.115 121.223 -0.118 0.000 2.129 389 L HA -0.219 4.120 4.340 -0.001 0.000 0.212 389 L C 2.465 179.253 176.870 -0.135 0.000 1.087 389 L CA 1.811 56.556 54.840 -0.159 0.000 0.757 389 L CB -0.646 41.289 42.059 -0.207 0.000 0.896 389 L HN 0.088 nan 8.230 nan 0.000 0.434 390 R N -0.409 120.026 120.500 -0.108 0.000 2.193 390 R HA -0.061 4.278 4.340 -0.001 0.000 0.213 390 R C 1.618 177.891 176.300 -0.044 0.000 1.055 390 R CA 1.181 57.237 56.100 -0.074 0.000 0.995 390 R CB -0.496 29.766 30.300 -0.063 0.000 0.893 390 R HN 0.387 nan 8.270 nan 0.000 0.459 391 D N -0.601 119.768 120.400 -0.052 0.000 2.289 391 D HA 0.038 4.678 4.640 -0.001 0.000 0.207 391 D C 1.593 177.891 176.300 -0.004 0.000 0.966 391 D CA 0.745 54.725 54.000 -0.032 0.000 0.868 391 D CB 0.242 41.006 40.800 -0.060 0.000 0.943 391 D HN 0.275 nan 8.370 nan 0.000 0.514 392 I N 0.335 120.884 120.570 -0.034 0.000 2.585 392 I HA -0.094 4.075 4.170 -0.001 0.000 0.254 392 I C 2.283 178.486 176.117 0.142 0.000 1.129 392 I CA 0.511 61.828 61.300 0.027 0.000 1.455 392 I CB 0.138 38.003 38.000 -0.226 0.000 1.111 392 I HN -0.092 nan 8.210 nan 0.000 0.433 393 E N 0.648 120.868 120.200 0.033 0.000 2.017 393 E HA -0.247 4.102 4.350 -0.001 0.000 0.193 393 E C 2.263 178.916 176.600 0.089 0.000 0.997 393 E CA 1.250 57.687 56.400 0.061 0.000 0.804 393 E CB 0.142 29.846 29.700 0.007 0.000 0.757 393 E HN 0.352 nan 8.360 nan 0.000 0.448 394 Q N -0.340 119.492 119.800 0.053 0.000 2.061 394 Q HA -0.226 4.114 4.340 -0.001 0.000 0.204 394 Q C 2.082 178.103 176.000 0.035 0.000 0.984 394 Q CA 1.374 57.199 55.803 0.037 0.000 0.846 394 Q CB -0.637 28.114 28.738 0.022 0.000 0.902 394 Q HN 0.429 nan 8.270 nan 0.000 0.421 395 Y N 0.432 120.671 120.300 -0.101 0.000 2.069 395 Y HA -0.309 4.241 4.550 -0.001 0.000 0.278 395 Y C 1.696 177.385 175.900 -0.351 0.000 1.175 395 Y CA 1.887 59.834 58.100 -0.254 0.000 1.134 395 Y CB -0.463 37.773 38.460 -0.373 0.000 0.965 395 Y HN 0.120 nan 8.280 nan 0.000 0.498 396 Y N -0.960 119.352 120.300 0.021 0.000 2.500 396 Y HA 0.193 4.743 4.550 -0.000 0.000 0.270 396 Y C 1.235 177.111 175.900 -0.040 0.000 1.134 396 Y CA 0.491 58.563 58.100 -0.046 0.000 1.293 396 Y CB -0.076 38.432 38.460 0.080 0.000 1.063 396 Y HN -0.082 nan 8.280 nan 0.000 0.534 397 S N 0.435 116.187 115.700 0.087 0.000 3.884 397 S HA -0.171 4.299 4.470 -0.001 0.000 0.374 397 S C 0.020 174.672 174.600 0.087 0.000 0.971 397 S CA 0.866 59.098 58.200 0.053 0.000 1.152 397 S CB -1.619 61.586 63.200 0.008 0.000 0.877 397 S HN 0.505 nan 8.310 nan 0.000 0.491 398 T N 0.202 114.827 114.554 0.118 0.000 2.838 398 T HA 0.659 5.009 4.350 -0.001 0.000 0.292 398 T C -1.280 173.472 174.700 0.087 0.000 1.113 398 T CA -0.519 61.642 62.100 0.101 0.000 1.008 398 T CB 1.892 70.833 68.868 0.122 0.000 1.259 398 T HN 0.403 nan 8.240 nan 0.000 0.520 399 Q N 1.328 121.175 119.800 0.079 0.000 2.365 399 Q HA 0.691 5.031 4.340 -0.001 0.000 0.269 399 Q C -1.579 174.490 176.000 0.115 0.000 1.061 399 Q CA -0.700 55.158 55.803 0.092 0.000 0.816 399 Q CB 1.360 30.152 28.738 0.090 0.000 1.325 399 Q HN 0.610 nan 8.270 nan 0.000 0.446 400 I N 3.793 124.461 120.570 0.163 0.000 2.476 400 I HA 0.282 4.452 4.170 -0.001 0.000 0.281 400 I C -0.816 175.593 176.117 0.487 0.000 1.040 400 I CA -0.695 60.765 61.300 0.266 0.000 1.094 400 I CB 1.586 39.724 38.000 0.230 0.000 1.219 400 I HN 0.545 nan 8.210 nan 0.000 0.450 401 D N 5.443 126.135 120.400 0.487 0.000 2.340 401 D HA 0.252 4.892 4.640 -0.001 0.000 0.251 401 D C -0.080 176.223 176.300 0.004 0.000 1.080 401 D CA -0.423 53.836 54.000 0.432 0.000 0.971 401 D CB 1.705 42.700 40.800 0.326 0.000 1.137 401 D HN 0.479 nan 8.370 nan 0.000 0.475 402 E N -0.109 119.790 120.200 -0.502 0.000 2.376 402 E HA 0.163 4.512 4.350 -0.001 0.000 0.254 402 E C -0.200 176.049 176.600 -0.585 0.000 1.213 402 E CA -0.388 55.319 56.400 -1.155 0.000 0.945 402 E CB 0.795 30.108 29.700 -0.645 0.000 1.057 402 E HN 0.205 nan 8.360 nan 0.000 0.479 403 M N 2.773 122.062 119.600 -0.518 0.000 2.120 403 M HA 0.271 4.750 4.480 -0.001 0.000 0.354 403 M C -2.138 173.943 176.300 -0.364 0.000 1.287 403 M CA -1.637 53.369 55.300 -0.491 0.000 1.103 403 M CB 0.830 33.243 32.600 -0.312 0.000 1.623 403 M HN 0.228 nan 8.290 nan 0.000 0.471 404 P HA 0.282 nan 4.420 nan 0.000 0.288 404 P C 0.570 177.758 177.300 -0.187 0.000 1.267 404 P CA -0.622 62.333 63.100 -0.240 0.000 0.815 404 P CB 0.726 32.295 31.700 -0.219 0.000 0.989 405 M N -0.863 118.663 119.600 -0.122 0.000 2.507 405 M HA -0.146 4.333 4.480 -0.001 0.000 0.258 405 M C 0.054 176.309 176.300 -0.074 0.000 1.081 405 M CA 1.267 56.515 55.300 -0.087 0.000 1.039 405 M CB -1.752 30.810 32.600 -0.063 0.000 1.386 405 M HN 0.283 nan 8.290 nan 0.000 0.459 406 N N 2.225 120.873 118.700 -0.086 0.000 2.415 406 N HA 0.194 4.934 4.740 -0.001 0.000 0.250 406 N C 1.006 176.484 175.510 -0.053 0.000 1.127 406 N CA 0.023 53.038 53.050 -0.058 0.000 0.945 406 N CB 1.567 40.025 38.487 -0.048 0.000 1.196 406 N HN 0.238 nan 8.380 nan 0.000 0.499 407 V N -0.776 119.122 119.914 -0.027 0.000 3.514 407 V HA 0.284 4.403 4.120 -0.001 0.000 0.301 407 V C 1.433 177.535 176.094 0.013 0.000 1.346 407 V CA 0.006 62.305 62.300 -0.002 0.000 1.156 407 V CB -0.198 31.627 31.823 0.003 0.000 1.029 407 V HN 0.480 nan 8.190 nan 0.000 0.428 408 A N 0.235 123.059 122.820 0.007 0.000 2.412 408 A HA 0.242 4.562 4.320 -0.001 0.000 0.253 408 A C 1.019 178.619 177.584 0.027 0.000 1.334 408 A CA 0.494 52.538 52.037 0.012 0.000 0.929 408 A CB -0.461 18.541 19.000 0.003 0.000 0.983 408 A HN 0.566 nan 8.150 nan 0.000 0.508 409 D N -1.109 119.319 120.400 0.047 0.000 2.469 409 D HA 0.080 4.720 4.640 -0.001 0.000 0.213 409 D C 1.118 177.472 176.300 0.089 0.000 1.135 409 D CA -0.029 54.019 54.000 0.080 0.000 0.834 409 D CB 0.465 41.342 40.800 0.129 0.000 1.009 409 D HN 0.491 nan 8.370 nan 0.000 0.507 410 L N 0.509 121.773 121.223 0.068 0.000 2.640 410 L HA 0.271 4.611 4.340 -0.001 0.000 0.230 410 L C 1.656 178.544 176.870 0.030 0.000 1.123 410 L CA 0.136 55.010 54.840 0.057 0.000 0.900 410 L CB 0.088 42.181 42.059 0.057 0.000 1.146 410 L HN -0.183 nan 8.230 nan 0.000 0.484 411 I N 1.104 121.688 120.570 0.024 0.000 2.502 411 I HA -0.254 3.916 4.170 -0.001 0.000 0.258 411 I C 0.660 176.781 176.117 0.007 0.000 1.172 411 I CA 0.467 61.774 61.300 0.011 0.000 1.430 411 I CB -0.430 37.576 38.000 0.010 0.000 1.086 411 I HN 0.321 nan 8.210 nan 0.000 0.440 412 L N 1.269 122.499 121.223 0.012 0.000 2.654 412 L HA 0.130 4.469 4.340 -0.001 0.000 0.271 412 L C 0.542 177.411 176.870 -0.002 0.000 1.169 412 L CA -0.275 54.568 54.840 0.005 0.000 0.947 412 L CB -1.119 40.945 42.059 0.009 0.000 1.232 412 L HN 0.194 nan 8.230 nan 0.000 0.486 413 E N 0.000 120.196 120.200 -0.007 0.000 2.725 413 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 413 E CA 0.000 56.393 56.400 -0.012 0.000 0.976 413 E CB 0.000 29.692 29.700 -0.013 0.000 0.812 413 E HN 0.000 nan 8.360 nan 0.000 0.440