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 2ux8_1_H DATA FIRST_RESID 2 DATA SEQUENCE TIKPLRKAVF PVAGLGTRFL PATKAMPKEM LPVVDRPLIQ YAVDEAVEAG DATA SEQUENCE IEQMIFVTGR GKSALEDHFD IAYELEATMA ARGKSLDVLD GTRLKPGNIA DATA SEQUENCE YVRQQEPMGL GHAVWCARDI VGDEPFAVLL PDDFMFGQPG CLKQMVDAYN DATA SEQUENCE KVGGNLICAE XXXXXXXXXX XXXXXXXXXX XLTEVKGLXX XXXXXXXXXX DATA SEQUENCE XXVIGRYILQ PEVMRILENX XXXXXXXXQL TDAMQRMIGD QPFHGVTFQG DATA SEQUENCE TRYDCGDKAG FIQANLAVAL SRPDLEPAVR AFAVKALG 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.676 174.700 -0.040 0.000 1.109 2 T CA 0.000 62.083 62.100 -0.028 0.000 1.349 2 T CB 0.000 68.855 68.868 -0.021 0.000 0.612 3 I N 0.376 120.908 120.570 -0.063 0.000 2.476 3 I HA 0.554 4.724 4.170 -0.000 0.000 0.281 3 I C -0.409 175.697 176.117 -0.018 0.000 1.040 3 I CA -1.046 60.195 61.300 -0.098 0.000 1.094 3 I CB 1.558 39.377 38.000 -0.302 0.000 1.219 3 I HN 0.535 nan 8.210 nan 0.000 0.450 4 K N 5.849 126.295 120.400 0.076 0.000 2.524 4 K HA 0.191 4.511 4.320 -0.000 0.000 0.279 4 K C -2.288 174.434 176.600 0.203 0.000 0.993 4 K CA -1.071 55.287 56.287 0.117 0.000 1.030 4 K CB -0.193 32.377 32.500 0.116 0.000 0.891 4 K HN 0.394 nan 8.250 nan 0.000 0.488 5 P HA -0.062 nan 4.420 nan 0.000 0.268 5 P C -0.922 176.475 177.300 0.163 0.000 1.208 5 P CA -0.322 62.876 63.100 0.162 0.000 0.777 5 P CB 0.398 32.151 31.700 0.089 0.000 0.875 6 L N 3.648 124.956 121.223 0.142 0.000 2.262 6 L HA 0.300 4.640 4.340 -0.000 0.000 0.288 6 L C 0.821 177.709 176.870 0.030 0.000 1.035 6 L CA 0.442 55.294 54.840 0.021 0.000 0.820 6 L CB 0.177 42.177 42.059 -0.099 0.000 1.204 6 L HN 0.284 nan 8.230 nan 0.000 0.424 7 R N 3.233 123.751 120.500 0.030 0.000 2.446 7 R HA 0.282 4.622 4.340 -0.000 0.000 0.254 7 R C -0.397 175.920 176.300 0.028 0.000 0.918 7 R CA -0.097 56.020 56.100 0.029 0.000 1.069 7 R CB 0.815 31.131 30.300 0.026 0.000 1.194 7 R HN 0.478 nan 8.270 nan 0.000 0.534 8 K N 0.542 120.964 120.400 0.038 0.000 2.426 8 K HA 0.672 4.992 4.320 -0.000 0.000 0.251 8 K C -1.325 175.320 176.600 0.074 0.000 0.941 8 K CA -0.672 55.648 56.287 0.055 0.000 0.808 8 K CB 2.698 35.226 32.500 0.047 0.000 1.265 8 K HN -0.069 nan 8.250 nan 0.000 0.432 9 A N 1.543 124.421 122.820 0.097 0.000 2.414 9 A HA 0.635 4.955 4.320 -0.000 0.000 0.306 9 A C -1.083 176.553 177.584 0.086 0.000 1.054 9 A CA -0.724 51.332 52.037 0.032 0.000 0.724 9 A CB 1.400 20.380 19.000 -0.034 0.000 1.267 9 A HN 0.361 nan 8.150 nan 0.000 0.418 10 V N 2.033 121.928 119.914 -0.031 0.000 2.417 10 V HA 0.496 4.616 4.120 -0.000 0.000 0.291 10 V C -1.278 174.750 176.094 -0.110 0.000 1.024 10 V CA -0.187 62.154 62.300 0.068 0.000 0.861 10 V CB 0.827 32.714 31.823 0.106 0.000 0.985 10 V HN 0.661 nan 8.190 nan 0.000 0.436 11 F N 5.740 125.728 119.950 0.063 0.000 2.325 11 F HA 0.486 5.013 4.527 -0.000 0.000 0.369 11 F C -2.401 173.369 175.800 -0.050 0.000 1.095 11 F CA -3.022 54.958 58.000 -0.034 0.000 1.082 11 F CB 1.404 40.267 39.000 -0.228 0.000 1.289 11 F HN 0.289 nan 8.300 nan 0.000 0.462 12 P HA 0.135 nan 4.420 nan 0.000 0.275 12 P C 0.002 177.342 177.300 0.066 0.000 1.276 12 P CA 0.045 63.196 63.100 0.085 0.000 0.782 12 P CB 0.824 32.562 31.700 0.064 0.000 0.851 13 V N 0.861 120.809 119.914 0.057 0.000 2.711 13 V HA 0.663 4.783 4.120 -0.000 0.000 0.335 13 V C 0.709 176.837 176.094 0.057 0.000 1.235 13 V CA -0.163 62.151 62.300 0.025 0.000 1.250 13 V CB 0.327 32.109 31.823 -0.068 0.000 1.469 13 V HN 0.363 nan 8.190 nan 0.000 0.646 14 A N 0.201 123.064 122.820 0.072 0.000 2.564 14 A HA 0.780 5.100 4.320 -0.000 0.000 0.279 14 A C 1.106 178.727 177.584 0.062 0.000 1.232 14 A CA 0.331 52.414 52.037 0.078 0.000 0.950 14 A CB -0.108 18.953 19.000 0.102 0.000 1.138 14 A HN 0.944 nan 8.150 nan 0.000 0.526 15 G N -0.789 108.041 108.800 0.050 0.000 2.503 15 G HA2 0.445 4.405 3.960 -0.000 0.000 0.257 15 G HA3 0.445 4.405 3.960 -0.000 0.000 0.257 15 G C 0.478 175.397 174.900 0.033 0.000 1.214 15 G CA -0.482 44.644 45.100 0.043 0.000 0.839 15 G HN 0.258 nan 8.290 nan 0.000 0.559 16 L N 1.535 122.777 121.223 0.032 0.000 2.611 16 L HA 0.163 4.503 4.340 -0.000 0.000 0.229 16 L C 2.078 178.966 176.870 0.029 0.000 1.137 16 L CA 0.307 55.163 54.840 0.027 0.000 0.901 16 L CB -0.177 41.897 42.059 0.026 0.000 1.098 16 L HN 0.858 nan 8.230 nan 0.000 0.456 17 G N 1.592 110.413 108.800 0.034 0.000 2.473 17 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.307 17 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.307 17 G C 1.236 176.185 174.900 0.082 0.000 0.937 17 G CA 0.888 46.020 45.100 0.053 0.000 0.947 17 G HN 0.542 nan 8.290 nan 0.000 0.513 18 T N -2.340 112.250 114.554 0.060 0.000 2.848 18 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 18 T C 2.128 176.862 174.700 0.056 0.000 1.081 18 T CA 1.581 63.711 62.100 0.050 0.000 1.125 18 T CB -0.254 68.634 68.868 0.033 0.000 0.848 18 T HN 0.629 nan 8.240 nan 0.000 0.503 19 R N -0.603 119.948 120.500 0.084 0.000 2.235 19 R HA 0.159 4.499 4.340 -0.000 0.000 0.213 19 R C 0.969 177.275 176.300 0.009 0.000 1.059 19 R CA 0.738 56.869 56.100 0.053 0.000 0.997 19 R CB -0.241 30.106 30.300 0.078 0.000 0.884 19 R HN 0.439 nan 8.270 nan 0.000 0.462 20 F N 0.651 120.566 119.950 -0.058 0.000 2.647 20 F HA 0.239 4.766 4.527 0.000 0.000 0.300 20 F C 0.430 176.180 175.800 -0.083 0.000 1.106 20 F CA -0.363 57.580 58.000 -0.095 0.000 1.313 20 F CB 0.361 39.272 39.000 -0.148 0.000 1.007 20 F HN -0.171 nan 8.300 nan 0.000 0.536 21 L N 2.575 123.836 121.223 0.063 0.000 2.461 21 L HA 0.080 4.420 4.340 -0.000 0.000 0.272 21 L C -0.719 176.149 176.870 -0.003 0.000 1.197 21 L CA -0.986 53.872 54.840 0.029 0.000 0.836 21 L CB 0.296 42.364 42.059 0.014 0.000 1.105 21 L HN -0.010 nan 8.230 nan 0.000 0.477 22 P HA 0.029 nan 4.420 nan 0.000 0.249 22 P C 0.944 178.254 177.300 0.017 0.000 1.229 22 P CA 0.380 63.486 63.100 0.010 0.000 0.788 22 P CB 0.454 32.156 31.700 0.002 0.000 1.072 23 A N 1.359 124.197 122.820 0.031 0.000 1.940 23 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 23 A C 1.962 179.548 177.584 0.004 0.000 1.176 23 A CA 2.274 54.325 52.037 0.024 0.000 0.631 23 A CB -1.619 17.413 19.000 0.054 0.000 0.814 23 A HN 0.403 nan 8.150 nan 0.000 0.446 24 T N -3.125 111.443 114.554 0.024 0.000 3.244 24 T HA 0.256 4.606 4.350 -0.000 0.000 0.254 24 T C 1.204 175.906 174.700 0.005 0.000 1.024 24 T CA 0.416 62.515 62.100 -0.002 0.000 0.920 24 T CB 0.307 69.178 68.868 0.005 0.000 1.042 24 T HN 0.483 nan 8.240 nan 0.000 0.572 25 K N 1.457 121.861 120.400 0.007 0.000 2.057 25 K HA 0.083 4.403 4.320 -0.000 0.000 0.207 25 K C 1.677 178.278 176.600 0.002 0.000 1.049 25 K CA 1.336 57.627 56.287 0.006 0.000 0.931 25 K CB -0.164 32.339 32.500 0.005 0.000 0.714 25 K HN 0.455 nan 8.250 nan 0.000 0.440 26 A N 0.157 122.976 122.820 -0.003 0.000 2.635 26 A HA 0.270 4.590 4.320 -0.000 0.000 0.279 26 A C 0.053 177.631 177.584 -0.009 0.000 1.122 26 A CA -0.533 51.502 52.037 -0.004 0.000 0.965 26 A CB 0.340 19.338 19.000 -0.003 0.000 1.221 26 A HN 0.299 nan 8.150 nan 0.000 0.566 27 M N 1.186 120.776 119.600 -0.017 0.000 2.321 27 M HA 0.518 4.998 4.480 -0.000 0.000 0.315 27 M C -3.143 173.133 176.300 -0.040 0.000 1.052 27 M CA -2.183 53.100 55.300 -0.029 0.000 0.936 27 M CB 2.193 34.768 32.600 -0.041 0.000 1.639 27 M HN -0.144 nan 8.290 nan 0.000 0.433 28 P HA 0.063 nan 4.420 nan 0.000 0.267 28 P C -0.387 176.863 177.300 -0.084 0.000 1.205 28 P CA 0.061 63.138 63.100 -0.039 0.000 0.765 28 P CB 0.393 32.083 31.700 -0.017 0.000 0.828 29 K N 2.815 123.155 120.400 -0.100 0.000 2.211 29 K HA -0.200 4.120 4.320 -0.000 0.000 0.204 29 K C 0.651 177.147 176.600 -0.175 0.000 1.047 29 K CA 1.638 57.809 56.287 -0.193 0.000 0.935 29 K CB -0.272 32.120 32.500 -0.181 0.000 0.728 29 K HN 0.214 nan 8.250 nan 0.000 0.452 30 E N 0.325 120.470 120.200 -0.091 0.000 2.409 30 E HA -0.015 4.335 4.350 -0.000 0.000 0.198 30 E C 1.386 177.948 176.600 -0.063 0.000 1.024 30 E CA 0.713 57.080 56.400 -0.055 0.000 0.861 30 E CB 0.024 29.705 29.700 -0.031 0.000 0.788 30 E HN 0.322 nan 8.360 nan 0.000 0.521 31 M N -0.068 119.477 119.600 -0.092 0.000 2.428 31 M HA 0.157 4.637 4.480 -0.000 0.000 0.239 31 M C 0.106 176.343 176.300 -0.104 0.000 1.121 31 M CA 0.057 55.293 55.300 -0.108 0.000 1.019 31 M CB -0.259 32.282 32.600 -0.098 0.000 1.485 31 M HN 0.059 nan 8.290 nan 0.000 0.484 32 L N 3.730 124.874 121.223 -0.132 0.000 2.525 32 L HA 0.051 4.391 4.340 -0.000 0.000 0.278 32 L C -1.828 175.061 176.870 0.032 0.000 1.218 32 L CA -0.859 53.907 54.840 -0.124 0.000 0.878 32 L CB -0.036 41.811 42.059 -0.352 0.000 1.127 32 L HN -0.032 nan 8.230 nan 0.000 0.492 33 P HA 0.167 nan 4.420 nan 0.000 0.293 33 P C -0.938 176.374 177.300 0.020 0.000 1.291 33 P CA -0.458 62.690 63.100 0.081 0.000 0.867 33 P CB 2.072 33.794 31.700 0.036 0.000 1.074 34 V N 4.599 124.463 119.914 -0.083 0.000 2.247 34 V HA 0.083 4.203 4.120 -0.000 0.000 0.262 34 V C 1.419 177.414 176.094 -0.165 0.000 1.096 34 V CA -0.009 62.071 62.300 -0.366 0.000 0.895 34 V CB -0.080 31.223 31.823 -0.867 0.000 1.141 34 V HN 0.590 nan 8.190 nan 0.000 0.478 35 V N 2.008 121.815 119.914 -0.178 0.000 0.575 35 V HA -0.383 3.737 4.120 -0.000 0.000 0.092 35 V C 1.579 177.651 176.094 -0.037 0.000 1.919 35 V CA 2.238 64.473 62.300 -0.109 0.000 3.435 35 V CB -1.255 30.517 31.823 -0.084 0.000 0.726 35 V HN 0.737 nan 8.190 nan 0.000 0.753 36 D N 0.133 120.537 120.400 0.006 0.000 2.525 36 D HA 0.203 4.843 4.640 -0.000 0.000 0.248 36 D C 0.922 177.214 176.300 -0.013 0.000 1.000 36 D CA 1.072 55.075 54.000 0.005 0.000 0.923 36 D CB 0.406 41.211 40.800 0.008 0.000 1.101 36 D HN 0.708 nan 8.370 nan 0.000 0.493 37 R N 0.341 120.838 120.500 -0.005 0.000 2.837 37 R HA 0.543 4.883 4.340 -0.000 0.000 0.271 37 R C -2.582 173.734 176.300 0.028 0.000 0.993 37 R CA -1.646 54.411 56.100 -0.072 0.000 0.931 37 R CB 1.687 31.838 30.300 -0.249 0.000 1.206 37 R HN -0.121 nan 8.270 nan 0.000 0.474 38 P HA 0.159 nan 4.420 nan 0.000 0.282 38 P C 0.533 177.935 177.300 0.171 0.000 1.259 38 P CA -0.631 62.472 63.100 0.004 0.000 0.826 38 P CB 0.978 32.582 31.700 -0.160 0.000 1.064 39 L N 1.138 122.464 121.223 0.172 0.000 2.010 39 L HA -0.281 4.059 4.340 -0.000 0.000 0.219 39 L C 2.427 179.468 176.870 0.285 0.000 1.077 39 L CA 2.100 57.090 54.840 0.250 0.000 0.773 39 L CB -1.174 40.955 42.059 0.118 0.000 0.892 39 L HN 0.374 nan 8.230 nan 0.000 0.436 40 I N -1.817 118.855 120.570 0.170 0.000 2.286 40 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 40 I C 2.601 178.922 176.117 0.340 0.000 1.115 40 I CA 1.297 62.724 61.300 0.211 0.000 1.392 40 I CB -0.633 37.462 38.000 0.159 0.000 1.065 40 I HN 0.194 nan 8.210 nan 0.000 0.418 41 Q N 1.035 120.996 119.800 0.268 0.000 2.061 41 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 41 Q C 2.133 178.269 176.000 0.226 0.000 0.984 41 Q CA 2.068 58.031 55.803 0.267 0.000 0.846 41 Q CB -0.680 28.070 28.738 0.021 0.000 0.902 41 Q HN 0.650 nan 8.270 nan 0.000 0.421 42 Y N -0.389 120.060 120.300 0.248 0.000 2.224 42 Y HA -0.141 4.409 4.550 0.000 0.000 0.289 42 Y C 2.287 178.330 175.900 0.238 0.000 1.146 42 Y CA 1.174 59.431 58.100 0.263 0.000 1.182 42 Y CB -0.520 38.166 38.460 0.378 0.000 0.983 42 Y HN 0.280 nan 8.280 nan 0.000 0.524 43 A N -0.241 122.834 122.820 0.425 0.000 1.930 43 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 43 A C 2.317 180.173 177.584 0.453 0.000 1.175 43 A CA 1.984 54.256 52.037 0.392 0.000 0.627 43 A CB -1.270 17.989 19.000 0.432 0.000 0.815 43 A HN 0.363 nan 8.150 nan 0.000 0.443 44 V N -2.697 117.450 119.914 0.388 0.000 2.649 44 V HA -0.081 4.039 4.120 -0.000 0.000 0.248 44 V C 1.691 177.923 176.094 0.230 0.000 1.054 44 V CA 1.949 64.426 62.300 0.295 0.000 1.073 44 V CB -0.711 31.134 31.823 0.037 0.000 0.699 44 V HN 0.320 nan 8.190 nan 0.000 0.463 45 D N 0.832 121.366 120.400 0.224 0.000 2.123 45 D HA -0.206 4.434 4.640 -0.000 0.000 0.196 45 D C 2.115 178.511 176.300 0.159 0.000 0.992 45 D CA 2.025 56.127 54.000 0.170 0.000 0.833 45 D CB -0.110 40.783 40.800 0.154 0.000 0.954 45 D HN 0.746 nan 8.370 nan 0.000 0.455 46 E N 0.365 120.674 120.200 0.181 0.000 2.058 46 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 46 E C 1.993 178.660 176.600 0.112 0.000 0.997 46 E CA 1.220 57.699 56.400 0.133 0.000 0.801 46 E CB -0.008 29.759 29.700 0.112 0.000 0.746 46 E HN 0.173 nan 8.360 nan 0.000 0.450 47 A N 0.415 123.327 122.820 0.154 0.000 1.902 47 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 47 A C 2.415 180.063 177.584 0.106 0.000 1.181 47 A CA 1.425 53.544 52.037 0.136 0.000 0.623 47 A CB -0.667 18.483 19.000 0.249 0.000 0.818 47 A HN 0.239 nan 8.150 nan 0.000 0.443 48 V N 0.201 120.182 119.914 0.111 0.000 2.343 48 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 48 V C 2.560 178.694 176.094 0.067 0.000 1.051 48 V CA 2.359 64.706 62.300 0.078 0.000 1.036 48 V CB -0.676 31.192 31.823 0.075 0.000 0.654 48 V HN 0.812 nan 8.190 nan 0.000 0.451 49 E N 0.464 120.709 120.200 0.075 0.000 2.110 49 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 49 E C 1.872 178.506 176.600 0.057 0.000 0.988 49 E CA 1.301 57.741 56.400 0.066 0.000 0.804 49 E CB -0.177 29.567 29.700 0.075 0.000 0.745 49 E HN 0.582 nan 8.360 nan 0.000 0.458 50 A N 0.010 122.863 122.820 0.055 0.000 2.276 50 A HA 0.265 4.585 4.320 -0.000 0.000 0.212 50 A C 1.501 179.112 177.584 0.044 0.000 1.230 50 A CA 0.808 52.872 52.037 0.045 0.000 0.844 50 A CB -0.510 18.508 19.000 0.030 0.000 0.860 50 A HN 0.468 nan 8.150 nan 0.000 0.486 51 G N -0.715 108.112 108.800 0.046 0.000 2.143 51 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.248 51 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.248 51 G C 0.090 175.013 174.900 0.039 0.000 0.991 51 G CA 0.240 45.366 45.100 0.042 0.000 0.689 51 G HN 0.461 nan 8.290 nan 0.000 0.522 52 I N 0.402 120.998 120.570 0.042 0.000 2.474 52 I HA 0.262 4.432 4.170 -0.000 0.000 0.287 52 I C 0.865 177.004 176.117 0.036 0.000 1.048 52 I CA 0.075 61.400 61.300 0.042 0.000 1.383 52 I CB 1.070 39.105 38.000 0.058 0.000 1.412 52 I HN 0.235 nan 8.210 nan 0.000 0.531 53 E N 4.854 125.068 120.200 0.023 0.000 2.789 53 E HA 0.174 4.524 4.350 -0.000 0.000 0.208 53 E C -0.335 176.255 176.600 -0.016 0.000 0.988 53 E CA -0.179 56.223 56.400 0.003 0.000 1.092 53 E CB 0.709 30.409 29.700 0.001 0.000 1.066 53 E HN 0.505 nan 8.360 nan 0.000 0.465 54 Q N 1.633 121.430 119.800 -0.005 0.000 2.605 54 Q HA 0.196 4.536 4.340 -0.000 0.000 0.228 54 Q C -1.462 174.539 176.000 0.003 0.000 0.805 54 Q CA -0.480 55.303 55.803 -0.034 0.000 0.894 54 Q CB 0.820 29.540 28.738 -0.030 0.000 1.469 54 Q HN 0.013 nan 8.270 nan 0.000 0.445 55 M N 4.327 123.884 119.600 -0.071 0.000 2.188 55 M HA 0.457 4.937 4.480 -0.000 0.000 0.357 55 M C -0.478 175.758 176.300 -0.107 0.000 1.204 55 M CA -0.342 54.966 55.300 0.013 0.000 1.095 55 M CB 0.518 32.928 32.600 -0.316 0.000 1.604 55 M HN 0.570 nan 8.290 nan 0.000 0.464 56 I N 3.958 124.634 120.570 0.176 0.000 2.420 56 I HA 0.307 4.477 4.170 -0.000 0.000 0.282 56 I C -1.044 175.283 176.117 0.351 0.000 1.019 56 I CA -0.356 60.996 61.300 0.087 0.000 1.130 56 I CB 0.867 38.907 38.000 0.067 0.000 1.262 56 I HN 0.352 nan 8.210 nan 0.000 0.454 57 F N 6.148 126.004 119.950 -0.157 0.000 2.404 57 F HA 0.292 4.819 4.527 0.000 0.000 0.358 57 F C 0.367 176.202 175.800 0.059 0.000 1.120 57 F CA -1.152 56.823 58.000 -0.043 0.000 1.144 57 F CB 1.582 40.489 39.000 -0.154 0.000 1.133 57 F HN 0.098 nan 8.300 nan 0.000 0.495 58 V N 5.281 125.349 119.914 0.256 0.000 2.304 58 V HA 0.562 4.682 4.120 -0.000 0.000 0.269 58 V C 0.075 176.280 176.094 0.185 0.000 1.036 58 V CA -0.114 62.294 62.300 0.181 0.000 0.840 58 V CB 0.324 32.214 31.823 0.112 0.000 1.036 58 V HN 0.853 nan 8.190 nan 0.000 0.466 59 T N 3.801 118.484 114.554 0.214 0.000 2.893 59 T HA 0.904 5.254 4.350 -0.000 0.000 0.279 59 T C 0.460 175.240 174.700 0.134 0.000 0.991 59 T CA -0.142 62.067 62.100 0.181 0.000 0.950 59 T CB 1.607 70.613 68.868 0.231 0.000 1.223 59 T HN 1.044 nan 8.240 nan 0.000 0.585 60 G N -0.819 108.045 108.800 0.106 0.000 3.175 60 G HA2 0.622 4.582 3.960 -0.000 0.000 0.255 60 G HA3 0.622 4.582 3.960 -0.000 0.000 0.255 60 G C -0.391 174.547 174.900 0.065 0.000 1.352 60 G CA -1.252 43.898 45.100 0.083 0.000 1.037 60 G HN 0.780 nan 8.290 nan 0.000 0.556 61 R N -1.247 119.283 120.500 0.049 0.000 2.745 61 R HA 0.407 4.747 4.340 -0.000 0.000 0.251 61 R C 1.567 177.885 176.300 0.029 0.000 1.257 61 R CA 0.417 56.538 56.100 0.035 0.000 1.102 61 R CB -0.330 29.988 30.300 0.029 0.000 1.151 61 R HN 0.943 nan 8.270 nan 0.000 0.571 62 G N 0.497 109.309 108.800 0.019 0.000 2.393 62 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.304 62 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.304 62 G C 0.122 175.032 174.900 0.018 0.000 0.977 62 G CA 1.272 46.381 45.100 0.015 0.000 0.803 62 G HN 0.467 nan 8.290 nan 0.000 0.511 63 K N 0.070 120.485 120.400 0.026 0.000 2.896 63 K HA 0.245 4.565 4.320 -0.000 0.000 0.210 63 K C 1.832 178.452 176.600 0.033 0.000 1.116 63 K CA 0.464 56.773 56.287 0.037 0.000 1.050 63 K CB 0.529 33.066 32.500 0.062 0.000 0.812 63 K HN 0.340 nan 8.250 nan 0.000 0.462 64 S N -0.274 115.430 115.700 0.007 0.000 2.447 64 S HA -0.135 4.335 4.470 -0.000 0.000 0.233 64 S C 2.139 176.743 174.600 0.006 0.000 1.006 64 S CA 0.814 59.005 58.200 -0.015 0.000 0.957 64 S CB -0.070 63.116 63.200 -0.023 0.000 0.773 64 S HN 0.349 nan 8.310 nan 0.000 0.507 65 A N 1.794 124.628 122.820 0.024 0.000 1.933 65 A HA 0.086 4.406 4.320 -0.000 0.000 0.218 65 A C 2.129 179.765 177.584 0.087 0.000 1.175 65 A CA 1.318 53.376 52.037 0.035 0.000 0.628 65 A CB -0.788 18.220 19.000 0.012 0.000 0.814 65 A HN 0.466 nan 8.150 nan 0.000 0.444 66 L N -0.539 120.762 121.223 0.130 0.000 2.131 66 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 66 L C 2.374 179.503 176.870 0.431 0.000 1.092 66 L CA 2.124 57.139 54.840 0.292 0.000 0.759 66 L CB -0.445 41.822 42.059 0.348 0.000 0.903 66 L HN 0.546 nan 8.230 nan 0.000 0.435 67 E N -0.977 119.330 120.200 0.178 0.000 2.076 67 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 67 E C 1.629 178.276 176.600 0.079 0.000 0.979 67 E CA 0.765 57.157 56.400 -0.014 0.000 0.807 67 E CB 0.158 29.602 29.700 -0.427 0.000 0.761 67 E HN 0.423 nan 8.360 nan 0.000 0.454 68 D N -0.532 119.896 120.400 0.047 0.000 2.144 68 D HA -0.163 4.477 4.640 -0.000 0.000 0.200 68 D C 1.733 178.050 176.300 0.028 0.000 0.978 68 D CA 0.959 54.978 54.000 0.033 0.000 0.833 68 D CB -0.199 40.611 40.800 0.017 0.000 0.961 68 D HN 0.271 nan 8.370 nan 0.000 0.470 69 H N -0.289 118.745 119.070 -0.061 0.000 2.387 69 H HA -0.109 4.447 4.556 0.000 0.000 0.299 69 H C 0.926 176.077 175.328 -0.296 0.000 1.099 69 H CA 1.327 57.237 56.048 -0.230 0.000 1.315 69 H CB -0.307 29.221 29.762 -0.391 0.000 1.380 69 H HN 0.062 nan 8.280 nan 0.000 0.513 70 F N 0.164 120.123 119.950 0.015 0.000 2.713 70 F HA 0.199 4.726 4.527 -0.000 0.000 0.294 70 F C 0.405 176.178 175.800 -0.046 0.000 1.152 70 F CA -0.296 57.675 58.000 -0.049 0.000 1.385 70 F CB 0.246 39.266 39.000 0.033 0.000 0.981 70 F HN 0.145 nan 8.300 nan 0.000 0.514 71 D N -0.445 119.988 120.400 0.055 0.000 2.687 71 D HA 0.402 5.042 4.640 -0.000 0.000 0.264 71 D C -0.255 176.042 176.300 -0.004 0.000 1.091 71 D CA -0.605 53.421 54.000 0.043 0.000 1.123 71 D CB 1.759 42.587 40.800 0.046 0.000 1.407 71 D HN -0.177 nan 8.370 nan 0.000 0.591 72 I N 1.030 121.610 120.570 0.016 0.000 2.556 72 I HA 0.263 4.433 4.170 -0.000 0.000 0.284 72 I C 0.402 176.532 176.117 0.021 0.000 1.114 72 I CA -0.300 61.008 61.300 0.012 0.000 1.418 72 I CB 1.188 39.219 38.000 0.050 0.000 1.394 72 I HN 0.330 nan 8.210 nan 0.000 0.552 73 A N 6.696 129.507 122.820 -0.015 0.000 3.016 73 A HA 0.146 4.466 4.320 -0.000 0.000 0.303 73 A C 0.759 178.345 177.584 0.003 0.000 1.507 73 A CA -0.448 51.588 52.037 -0.002 0.000 1.196 73 A CB -0.452 18.526 19.000 -0.036 0.000 1.169 73 A HN 0.828 nan 8.150 nan 0.000 0.544 74 Y N 1.226 121.512 120.300 -0.023 0.000 1.967 74 Y HA -0.378 4.172 4.550 -0.000 0.000 0.260 74 Y C 2.271 178.162 175.900 -0.016 0.000 1.181 74 Y CA 2.859 60.948 58.100 -0.018 0.000 1.097 74 Y CB -0.011 38.440 38.460 -0.015 0.000 0.934 74 Y HN 0.713 nan 8.280 nan 0.000 0.492 75 E N -0.454 119.834 120.200 0.147 0.000 2.085 75 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 75 E C 2.154 178.731 176.600 -0.038 0.000 0.994 75 E CA 1.325 57.769 56.400 0.074 0.000 0.801 75 E CB -0.398 29.360 29.700 0.096 0.000 0.743 75 E HN 0.460 nan 8.360 nan 0.000 0.453 76 L N 1.529 122.729 121.223 -0.039 0.000 1.970 76 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 76 L C 1.940 178.755 176.870 -0.091 0.000 1.071 76 L CA 2.041 56.850 54.840 -0.052 0.000 0.751 76 L CB -0.417 41.618 42.059 -0.040 0.000 0.889 76 L HN 0.115 nan 8.230 nan 0.000 0.432 77 E N -0.458 119.661 120.200 -0.135 0.000 2.160 77 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 77 E C 2.073 178.563 176.600 -0.183 0.000 0.991 77 E CA 1.030 57.336 56.400 -0.157 0.000 0.810 77 E CB -0.298 29.293 29.700 -0.182 0.000 0.742 77 E HN 0.694 nan 8.360 nan 0.000 0.466 78 A N 0.812 123.485 122.820 -0.245 0.000 1.897 78 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 78 A C 2.337 179.861 177.584 -0.101 0.000 1.181 78 A CA 1.455 53.369 52.037 -0.204 0.000 0.620 78 A CB -0.547 18.308 19.000 -0.241 0.000 0.821 78 A HN 0.150 nan 8.150 nan 0.000 0.443 79 T N 0.171 114.679 114.554 -0.076 0.000 2.867 79 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 79 T C 1.905 176.580 174.700 -0.042 0.000 1.057 79 T CA 1.602 63.676 62.100 -0.043 0.000 1.136 79 T CB -0.287 68.564 68.868 -0.028 0.000 0.874 79 T HN 0.419 nan 8.240 nan 0.000 0.466 80 M N 1.036 120.604 119.600 -0.053 0.000 2.132 80 M HA 0.049 4.529 4.480 -0.000 0.000 0.263 80 M C 2.878 179.152 176.300 -0.043 0.000 1.065 80 M CA 1.324 56.598 55.300 -0.044 0.000 1.122 80 M CB -0.463 32.109 32.600 -0.048 0.000 1.365 80 M HN 0.301 nan 8.290 nan 0.000 0.411 81 A N 0.581 123.368 122.820 -0.056 0.000 1.933 81 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 81 A C 2.208 179.771 177.584 -0.036 0.000 1.175 81 A CA 1.778 53.785 52.037 -0.049 0.000 0.628 81 A CB -0.834 18.127 19.000 -0.064 0.000 0.814 81 A HN 0.504 nan 8.150 nan 0.000 0.444 82 A N -1.069 121.730 122.820 -0.035 0.000 2.255 82 A HA 0.121 4.441 4.320 -0.000 0.000 0.206 82 A C 1.545 179.118 177.584 -0.018 0.000 1.193 82 A CA 0.659 52.682 52.037 -0.023 0.000 0.794 82 A CB -0.276 18.712 19.000 -0.020 0.000 0.794 82 A HN 0.515 nan 8.150 nan 0.000 0.481 83 R N -1.872 118.616 120.500 -0.020 0.000 2.592 83 R HA 0.255 4.595 4.340 -0.000 0.000 0.439 83 R C 0.933 177.223 176.300 -0.016 0.000 0.995 83 R CA 0.284 56.374 56.100 -0.016 0.000 1.141 83 R CB 0.267 30.558 30.300 -0.016 0.000 1.495 83 R HN 0.489 nan 8.270 nan 0.000 0.579 84 G N 2.231 111.020 108.800 -0.017 0.000 2.269 84 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.277 84 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.277 84 G C -0.145 174.745 174.900 -0.016 0.000 1.008 84 G CA 0.607 45.697 45.100 -0.016 0.000 0.774 84 G HN 0.251 nan 8.290 nan 0.000 0.511 85 K N 0.661 121.049 120.400 -0.020 0.000 2.258 85 K HA 0.439 4.759 4.320 -0.000 0.000 0.284 85 K C 0.762 177.348 176.600 -0.022 0.000 1.051 85 K CA -0.066 56.210 56.287 -0.019 0.000 0.923 85 K CB 1.378 33.866 32.500 -0.021 0.000 1.046 85 K HN 0.180 nan 8.250 nan 0.000 0.474 86 S N 2.942 118.631 115.700 -0.018 0.000 2.560 86 S HA 0.059 4.529 4.470 -0.000 0.000 0.284 86 S C 0.904 175.490 174.600 -0.023 0.000 1.327 86 S CA -0.518 57.671 58.200 -0.018 0.000 1.055 86 S CB 0.259 63.452 63.200 -0.012 0.000 0.868 86 S HN 0.540 nan 8.310 nan 0.000 0.506 87 L N 3.384 124.591 121.223 -0.026 0.000 2.629 87 L HA 0.193 4.533 4.340 -0.000 0.000 0.230 87 L C 1.014 177.869 176.870 -0.025 0.000 1.151 87 L CA -0.149 54.672 54.840 -0.032 0.000 0.924 87 L CB -0.329 41.705 42.059 -0.042 0.000 1.137 87 L HN 0.543 nan 8.230 nan 0.000 0.457 88 D N 0.586 120.976 120.400 -0.017 0.000 2.218 88 D HA -0.130 4.510 4.640 -0.000 0.000 0.204 88 D C 2.259 178.554 176.300 -0.009 0.000 0.976 88 D CA 0.997 54.991 54.000 -0.010 0.000 0.853 88 D CB 0.046 40.844 40.800 -0.004 0.000 0.939 88 D HN 0.172 nan 8.370 nan 0.000 0.481 89 V N 0.689 120.596 119.914 -0.012 0.000 2.688 89 V HA -0.179 3.941 4.120 -0.000 0.000 0.256 89 V C 2.134 178.218 176.094 -0.017 0.000 1.084 89 V CA 1.059 63.352 62.300 -0.011 0.000 1.103 89 V CB -0.524 31.291 31.823 -0.013 0.000 0.688 89 V HN 0.242 nan 8.190 nan 0.000 0.480 90 L N -1.001 120.206 121.223 -0.026 0.000 2.640 90 L HA 0.245 4.585 4.340 -0.000 0.000 0.230 90 L C 0.255 177.107 176.870 -0.030 0.000 1.123 90 L CA -0.158 54.657 54.840 -0.041 0.000 0.900 90 L CB -0.133 41.890 42.059 -0.059 0.000 1.146 90 L HN 0.224 nan 8.230 nan 0.000 0.484 91 D N 1.508 121.901 120.400 -0.012 0.000 2.450 91 D HA 0.215 4.855 4.640 -0.000 0.000 0.247 91 D C 1.203 177.514 176.300 0.018 0.000 1.162 91 D CA 1.396 55.397 54.000 0.002 0.000 0.879 91 D CB 1.450 42.255 40.800 0.007 0.000 1.163 91 D HN 0.315 nan 8.370 nan 0.000 0.472 92 G N 2.330 111.150 108.800 0.033 0.000 2.176 92 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.232 92 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.232 92 G C 1.224 176.192 174.900 0.115 0.000 0.986 92 G CA 0.390 45.531 45.100 0.069 0.000 0.643 92 G HN 0.529 nan 8.290 nan 0.000 0.522 93 T N 0.381 114.965 114.554 0.048 0.000 3.043 93 T HA 0.205 4.555 4.350 -0.000 0.000 0.263 93 T C 1.087 175.828 174.700 0.068 0.000 1.094 93 T CA 1.387 63.469 62.100 -0.030 0.000 1.127 93 T CB -0.072 68.683 68.868 -0.188 0.000 0.905 93 T HN 0.856 nan 8.240 nan 0.000 0.490 94 R N 0.241 120.785 120.500 0.074 0.000 2.575 94 R HA 0.652 4.992 4.340 -0.000 0.000 0.293 94 R C -1.613 174.721 176.300 0.056 0.000 0.983 94 R CA -0.903 55.251 56.100 0.089 0.000 0.887 94 R CB 1.077 31.393 30.300 0.027 0.000 1.184 94 R HN -0.056 nan 8.270 nan 0.000 0.445 95 L N 1.451 122.692 121.223 0.030 0.000 2.544 95 L HA 0.465 4.805 4.340 -0.000 0.000 0.256 95 L C 0.211 177.068 176.870 -0.022 0.000 1.097 95 L CA -0.946 53.884 54.840 -0.017 0.000 0.812 95 L CB 0.594 42.604 42.059 -0.080 0.000 1.440 95 L HN 0.580 nan 8.230 nan 0.000 0.496 96 K N 1.034 121.416 120.400 -0.030 0.000 2.401 96 K HA 0.182 4.502 4.320 -0.000 0.000 0.278 96 K C -2.397 174.182 176.600 -0.035 0.000 1.018 96 K CA -1.110 55.162 56.287 -0.025 0.000 0.981 96 K CB 0.278 32.763 32.500 -0.024 0.000 0.933 96 K HN 0.175 nan 8.250 nan 0.000 0.477 97 P HA -0.012 nan 4.420 nan 0.000 0.261 97 P C 0.271 177.550 177.300 -0.037 0.000 1.173 97 P CA 1.240 64.326 63.100 -0.022 0.000 0.760 97 P CB 0.592 32.285 31.700 -0.011 0.000 0.783 98 G N 3.545 112.316 108.800 -0.048 0.000 2.268 98 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.240 98 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.240 98 G C 1.297 176.137 174.900 -0.100 0.000 1.010 98 G CA -0.038 45.025 45.100 -0.062 0.000 0.618 98 G HN 0.498 nan 8.290 nan 0.000 0.516 99 N N 0.449 119.082 118.700 -0.112 0.000 2.520 99 N HA 0.080 4.820 4.740 -0.000 0.000 0.185 99 N C 0.683 176.042 175.510 -0.252 0.000 1.068 99 N CA 1.009 53.972 53.050 -0.144 0.000 0.911 99 N CB 0.073 38.490 38.487 -0.118 0.000 0.961 99 N HN 0.548 nan 8.380 nan 0.000 0.446 100 I N 0.723 121.093 120.570 -0.334 0.000 2.439 100 I HA 0.371 4.541 4.170 -0.000 0.000 0.285 100 I C -0.608 175.147 176.117 -0.604 0.000 1.021 100 I CA -0.692 60.232 61.300 -0.627 0.000 1.091 100 I CB 1.836 39.317 38.000 -0.865 0.000 1.242 100 I HN -0.204 nan 8.210 nan 0.000 0.439 101 A N 6.411 128.870 122.820 -0.603 0.000 2.340 101 A HA 0.854 5.174 4.320 -0.000 0.000 0.331 101 A C -1.581 175.703 177.584 -0.499 0.000 1.140 101 A CA -0.331 51.477 52.037 -0.382 0.000 0.801 101 A CB 0.965 19.853 19.000 -0.186 0.000 1.234 101 A HN 0.584 nan 8.150 nan 0.000 0.469 102 Y N 0.215 120.477 120.300 -0.063 0.000 2.446 102 Y HA 0.570 5.120 4.550 -0.000 0.000 0.345 102 Y C 0.112 176.022 175.900 0.018 0.000 0.984 102 Y CA -0.895 57.214 58.100 0.016 0.000 1.058 102 Y CB 2.373 40.853 38.460 0.034 0.000 1.220 102 Y HN 0.725 nan 8.280 nan 0.000 0.455 103 V N 0.309 120.339 119.914 0.192 0.000 2.808 103 V HA 0.672 4.792 4.120 -0.000 0.000 0.308 103 V C -0.929 175.237 176.094 0.120 0.000 1.099 103 V CA -1.338 61.024 62.300 0.103 0.000 0.920 103 V CB 1.913 33.749 31.823 0.022 0.000 1.014 103 V HN 0.707 nan 8.190 nan 0.000 0.425 104 R N 3.132 123.690 120.500 0.097 0.000 2.340 104 R HA 0.305 4.645 4.340 -0.000 0.000 0.300 104 R C 0.890 177.257 176.300 0.112 0.000 1.069 104 R CA -0.196 55.967 56.100 0.104 0.000 0.984 104 R CB 1.485 31.835 30.300 0.084 0.000 1.003 104 R HN 1.035 nan 8.270 nan 0.000 0.459 105 Q N 2.217 122.101 119.800 0.140 0.000 2.230 105 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 105 Q C 0.112 176.253 176.000 0.235 0.000 0.963 105 Q CA 1.449 57.374 55.803 0.204 0.000 0.866 105 Q CB 0.330 29.199 28.738 0.218 0.000 0.931 105 Q HN 0.688 nan 8.270 nan 0.000 0.452 106 Q N -1.336 118.554 119.800 0.150 0.000 2.755 106 Q HA -0.250 4.090 4.340 -0.000 0.000 0.190 106 Q C -0.667 175.385 176.000 0.088 0.000 2.840 106 Q CA 2.195 58.068 55.803 0.117 0.000 0.265 106 Q CB -0.917 27.901 28.738 0.133 0.000 0.240 106 Q HN 0.464 nan 8.270 nan 0.000 0.447 107 E N 1.690 121.944 120.200 0.090 0.000 2.210 107 E HA 0.299 4.649 4.350 -0.000 0.000 0.266 107 E C -2.584 173.994 176.600 -0.037 0.000 0.883 107 E CA -1.972 54.425 56.400 -0.006 0.000 0.761 107 E CB 1.702 31.354 29.700 -0.079 0.000 1.156 107 E HN 0.078 nan 8.360 nan 0.000 0.412 108 P HA 0.052 nan 4.420 nan 0.000 0.249 108 P C -0.239 177.029 177.300 -0.054 0.000 1.737 108 P CA 0.283 63.380 63.100 -0.005 0.000 1.128 108 P CB 0.060 31.764 31.700 0.007 0.000 1.942 109 M N 1.161 120.695 119.600 -0.110 0.000 2.484 109 M HA 0.297 4.777 4.480 -0.000 0.000 0.307 109 M C 0.809 177.107 176.300 -0.004 0.000 1.149 109 M CA 0.099 55.314 55.300 -0.141 0.000 0.972 109 M CB 0.517 32.869 32.600 -0.413 0.000 1.400 109 M HN 0.379 nan 8.290 nan 0.000 0.508 110 G N 1.070 109.904 108.800 0.056 0.000 2.661 110 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.685 110 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.685 110 G C -0.266 174.705 174.900 0.119 0.000 1.298 110 G CA -0.594 44.553 45.100 0.078 0.000 0.855 110 G HN 0.194 nan 8.290 nan 0.000 0.560 111 L N 1.421 122.696 121.223 0.087 0.000 2.012 111 L HA 0.158 4.498 4.340 -0.000 0.000 0.210 111 L C 2.886 179.798 176.870 0.071 0.000 1.073 111 L CA 3.690 58.572 54.840 0.069 0.000 0.748 111 L CB -1.117 40.967 42.059 0.042 0.000 0.891 111 L HN 1.357 nan 8.230 nan 0.000 0.431 112 G N -1.927 106.918 108.800 0.075 0.000 2.459 112 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.217 112 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.217 112 G C 1.575 176.558 174.900 0.137 0.000 1.183 112 G CA 1.077 46.224 45.100 0.079 0.000 0.776 112 G HN 0.635 nan 8.290 nan 0.000 0.552 113 H N 1.194 120.304 119.070 0.067 0.000 2.319 113 H HA 0.024 4.580 4.556 0.000 0.000 0.297 113 H C 2.693 178.173 175.328 0.253 0.000 1.097 113 H CA 2.272 58.395 56.048 0.125 0.000 1.285 113 H CB -0.347 29.448 29.762 0.055 0.000 1.368 113 H HN 0.298 nan 8.280 nan 0.000 0.495 114 A N 0.023 122.946 122.820 0.173 0.000 1.883 114 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 114 A C 2.751 180.363 177.584 0.048 0.000 1.186 114 A CA 2.021 54.122 52.037 0.107 0.000 0.624 114 A CB -1.108 17.969 19.000 0.128 0.000 0.822 114 A HN 0.353 nan 8.150 nan 0.000 0.444 115 V N -2.063 117.890 119.914 0.065 0.000 2.343 115 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 115 V C 2.192 178.291 176.094 0.008 0.000 1.051 115 V CA 1.935 64.262 62.300 0.045 0.000 1.036 115 V CB -0.996 30.876 31.823 0.082 0.000 0.654 115 V HN 0.876 nan 8.190 nan 0.000 0.451 116 W N 0.173 121.388 121.300 -0.142 0.000 2.350 116 W HA -0.233 4.427 4.660 0.000 0.000 0.289 116 W C 2.354 178.750 176.519 -0.205 0.000 1.215 116 W CA 1.436 58.677 57.345 -0.173 0.000 1.236 116 W CB -0.495 28.861 29.460 -0.172 0.000 1.130 116 W HN 0.251 nan 8.180 nan 0.000 0.541 117 C N 0.593 119.740 119.300 -0.255 0.000 2.437 117 C HA 0.054 4.514 4.460 -0.000 0.000 0.283 117 C C 2.706 177.481 174.990 -0.358 0.000 1.424 117 C CA 1.317 60.093 59.018 -0.403 0.000 1.782 117 C CB -1.918 25.718 27.740 -0.173 0.000 1.833 117 C HN 0.453 nan 8.230 nan 0.000 0.532 118 A N 1.032 123.676 122.820 -0.293 0.000 2.308 118 A HA 0.059 4.379 4.320 -0.000 0.000 0.217 118 A C 2.109 179.488 177.584 -0.342 0.000 1.216 118 A CA 0.111 51.992 52.037 -0.261 0.000 0.864 118 A CB -0.438 18.448 19.000 -0.190 0.000 0.902 118 A HN 0.741 nan 8.150 nan 0.000 0.499 119 R N 0.489 120.729 120.500 -0.433 0.000 2.134 119 R HA -0.220 4.120 4.340 -0.000 0.000 0.248 119 R C 0.496 176.611 176.300 -0.309 0.000 1.143 119 R CA 2.066 57.922 56.100 -0.407 0.000 0.957 119 R CB -0.857 29.155 30.300 -0.481 0.000 0.867 119 R HN 0.305 nan 8.270 nan 0.000 0.441 120 D N 0.410 120.638 120.400 -0.286 0.000 2.347 120 D HA 0.012 4.652 4.640 -0.000 0.000 0.215 120 D C 1.946 178.146 176.300 -0.166 0.000 0.976 120 D CA 0.624 54.503 54.000 -0.202 0.000 0.884 120 D CB 0.155 40.846 40.800 -0.181 0.000 0.915 120 D HN 0.301 nan 8.370 nan 0.000 0.526 121 I N 0.355 120.816 120.570 -0.181 0.000 2.480 121 I HA -0.100 4.070 4.170 -0.000 0.000 0.251 121 I C 2.468 178.499 176.117 -0.142 0.000 1.124 121 I CA 0.501 61.717 61.300 -0.141 0.000 1.444 121 I CB -1.020 36.903 38.000 -0.129 0.000 1.098 121 I HN -0.125 nan 8.210 nan 0.000 0.428 122 V N 0.909 120.702 119.914 -0.201 0.000 2.283 122 V HA 0.103 4.223 4.120 -0.000 0.000 0.243 122 V C 1.770 177.770 176.094 -0.157 0.000 1.039 122 V CA 1.534 63.705 62.300 -0.214 0.000 1.016 122 V CB -1.157 30.404 31.823 -0.436 0.000 0.650 122 V HN 0.638 nan 8.190 nan 0.000 0.449 123 G N 0.172 108.869 108.800 -0.172 0.000 2.528 123 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.262 123 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.262 123 G C 0.020 174.867 174.900 -0.088 0.000 1.200 123 G CA 0.290 45.321 45.100 -0.115 0.000 0.951 123 G HN 0.452 nan 8.290 nan 0.000 0.566 124 D N 2.408 122.780 120.400 -0.047 0.000 2.639 124 D HA 0.430 5.070 4.640 -0.000 0.000 0.233 124 D C 0.156 176.459 176.300 0.005 0.000 1.161 124 D CA 0.401 54.391 54.000 -0.018 0.000 1.003 124 D CB -0.352 40.442 40.800 -0.010 0.000 1.034 124 D HN 0.439 nan 8.370 nan 0.000 0.514 125 E N 1.244 121.455 120.200 0.018 0.000 2.412 125 E HA 0.331 4.681 4.350 -0.000 0.000 0.279 125 E C -2.673 174.005 176.600 0.131 0.000 0.984 125 E CA -1.834 54.599 56.400 0.056 0.000 0.788 125 E CB 3.026 32.746 29.700 0.034 0.000 1.277 125 E HN 0.150 nan 8.360 nan 0.000 0.455 126 P HA 0.244 nan 4.420 nan 0.000 0.277 126 P C -1.047 176.372 177.300 0.197 0.000 1.240 126 P CA -0.101 63.083 63.100 0.140 0.000 0.798 126 P CB 0.337 32.052 31.700 0.024 0.000 0.979 127 F N -1.030 118.846 119.950 -0.123 0.000 2.626 127 F HA 0.829 5.356 4.527 -0.000 0.000 0.311 127 F C -1.165 174.551 175.800 -0.141 0.000 1.088 127 F CA -1.524 56.404 58.000 -0.120 0.000 0.949 127 F CB 1.060 40.003 39.000 -0.095 0.000 1.322 127 F HN 0.389 nan 8.300 nan 0.000 0.461 128 A N 1.245 123.996 122.820 -0.116 0.000 2.281 128 A HA 0.882 5.202 4.320 -0.000 0.000 0.329 128 A C -1.334 176.159 177.584 -0.153 0.000 1.122 128 A CA -0.899 51.015 52.037 -0.206 0.000 0.850 128 A CB 1.608 20.511 19.000 -0.162 0.000 1.207 128 A HN 0.847 nan 8.150 nan 0.000 0.495 129 V N 1.156 120.979 119.914 -0.152 0.000 2.623 129 V HA 0.461 4.581 4.120 -0.000 0.000 0.304 129 V C -1.370 174.671 176.094 -0.089 0.000 1.054 129 V CA -0.247 61.968 62.300 -0.141 0.000 0.882 129 V CB 1.330 33.028 31.823 -0.208 0.000 1.002 129 V HN 0.689 nan 8.190 nan 0.000 0.424 130 L N 5.613 126.673 121.223 -0.272 0.000 2.381 130 L HA 0.589 4.929 4.340 -0.000 0.000 0.274 130 L C -0.501 176.329 176.870 -0.067 0.000 0.988 130 L CA -0.166 54.561 54.840 -0.188 0.000 0.824 130 L CB 1.866 43.721 42.059 -0.339 0.000 1.263 130 L HN 0.439 nan 8.230 nan 0.000 0.410 131 L N 5.487 126.735 121.223 0.042 0.000 2.264 131 L HA 0.369 4.709 4.340 -0.000 0.000 0.287 131 L C -1.204 175.721 176.870 0.092 0.000 1.039 131 L CA -1.442 53.445 54.840 0.078 0.000 0.829 131 L CB 1.273 43.397 42.059 0.108 0.000 1.211 131 L HN 0.444 nan 8.230 nan 0.000 0.427 132 P HA -0.166 nan 4.420 nan 0.000 0.223 132 P C 0.573 177.961 177.300 0.147 0.000 1.144 132 P CA 0.928 64.120 63.100 0.153 0.000 0.783 132 P CB 0.423 32.218 31.700 0.159 0.000 0.771 133 D N -0.023 120.445 120.400 0.113 0.000 2.219 133 D HA -0.071 4.569 4.640 -0.000 0.000 0.205 133 D C 0.253 176.650 176.300 0.163 0.000 0.970 133 D CA 1.036 55.106 54.000 0.117 0.000 0.851 133 D CB -0.398 40.460 40.800 0.097 0.000 0.943 133 D HN 0.163 nan 8.370 nan 0.000 0.488 134 D N 0.502 120.986 120.400 0.141 0.000 2.453 134 D HA 0.012 4.652 4.640 -0.000 0.000 0.223 134 D C -0.375 176.024 176.300 0.165 0.000 1.183 134 D CA -0.308 53.773 54.000 0.135 0.000 0.933 134 D CB -0.341 40.494 40.800 0.057 0.000 1.038 134 D HN -0.020 nan 8.370 nan 0.000 0.513 135 F N 3.643 123.644 119.950 0.084 0.000 2.466 135 F HA 0.149 4.676 4.527 -0.000 0.000 0.363 135 F C -0.174 175.717 175.800 0.152 0.000 1.109 135 F CA -0.591 57.447 58.000 0.064 0.000 1.161 135 F CB 0.413 39.413 39.000 0.001 0.000 1.117 135 F HN 0.073 nan 8.300 nan 0.000 0.539 136 M N 8.392 127.755 119.600 -0.396 0.000 2.055 136 M HA 0.180 4.660 4.480 -0.000 0.000 0.347 136 M C -1.077 175.147 176.300 -0.126 0.000 1.123 136 M CA -0.463 54.696 55.300 -0.236 0.000 1.035 136 M CB 0.079 32.344 32.600 -0.558 0.000 1.484 136 M HN 0.429 nan 8.290 nan 0.000 0.428 137 F N 2.486 122.423 119.950 -0.020 0.000 2.391 137 F HA 0.740 5.267 4.527 -0.000 0.000 0.359 137 F C 0.386 176.308 175.800 0.203 0.000 1.122 137 F CA -0.461 57.547 58.000 0.013 0.000 1.120 137 F CB 0.855 39.968 39.000 0.188 0.000 1.142 137 F HN 0.685 nan 8.300 nan 0.000 0.483 138 G N 4.827 113.677 108.800 0.082 0.000 2.325 138 G HA2 0.319 4.279 3.960 -0.000 0.000 0.297 138 G HA3 0.319 4.279 3.960 -0.000 0.000 0.297 138 G C -2.236 172.666 174.900 0.003 0.000 1.448 138 G CA -0.946 44.090 45.100 -0.105 0.000 0.838 138 G HN 0.577 nan 8.290 nan 0.000 0.579 139 Q N 0.659 120.420 119.800 -0.065 0.000 2.275 139 Q HA 0.516 4.856 4.340 -0.000 0.000 0.266 139 Q C -2.293 173.707 176.000 -0.001 0.000 1.002 139 Q CA -1.572 54.228 55.803 -0.005 0.000 0.761 139 Q CB 2.789 31.502 28.738 -0.041 0.000 1.255 139 Q HN 0.583 nan 8.270 nan 0.000 0.446 140 P HA 0.223 nan 4.420 nan 0.000 0.276 140 P C 0.062 177.460 177.300 0.163 0.000 1.252 140 P CA -0.252 62.899 63.100 0.086 0.000 0.802 140 P CB 0.677 32.419 31.700 0.070 0.000 1.035 141 G N -0.266 108.618 108.800 0.139 0.000 2.562 141 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.233 141 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.233 141 G C 1.347 176.290 174.900 0.072 0.000 1.266 141 G CA -0.268 44.910 45.100 0.129 0.000 0.852 141 G HN 0.746 nan 8.290 nan 0.000 0.581 142 C N 1.599 120.781 119.300 -0.196 0.000 2.376 142 C HA -0.130 4.330 4.460 -0.000 0.000 0.275 142 C C 2.754 177.649 174.990 -0.159 0.000 1.200 142 C CA 1.035 59.793 59.018 -0.433 0.000 1.756 142 C CB -0.937 26.265 27.740 -0.896 0.000 2.050 142 C HN 0.678 nan 8.230 nan 0.000 0.460 143 L N 0.878 122.027 121.223 -0.123 0.000 2.042 143 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 143 L C 2.561 179.424 176.870 -0.011 0.000 1.076 143 L CA 2.389 57.191 54.840 -0.065 0.000 0.749 143 L CB -1.162 40.869 42.059 -0.048 0.000 0.893 143 L HN 0.427 nan 8.230 nan 0.000 0.432 144 K N 0.324 120.734 120.400 0.017 0.000 2.026 144 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 144 K C 2.047 178.679 176.600 0.053 0.000 1.048 144 K CA 1.641 57.954 56.287 0.043 0.000 0.929 144 K CB -0.268 32.265 32.500 0.056 0.000 0.713 144 K HN 0.364 nan 8.250 nan 0.000 0.439 145 Q N -0.405 119.435 119.800 0.067 0.000 2.096 145 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 145 Q C 2.275 178.314 176.000 0.065 0.000 0.982 145 Q CA 2.130 57.981 55.803 0.080 0.000 0.850 145 Q CB -0.201 28.619 28.738 0.137 0.000 0.901 145 Q HN 0.382 nan 8.270 nan 0.000 0.422 146 M N -0.342 119.285 119.600 0.045 0.000 2.132 146 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 146 M C 2.348 178.698 176.300 0.083 0.000 1.065 146 M CA 0.992 56.320 55.300 0.045 0.000 1.122 146 M CB -0.239 32.359 32.600 -0.003 0.000 1.365 146 M HN 0.148 nan 8.290 nan 0.000 0.411 147 V N 0.383 120.340 119.914 0.072 0.000 2.515 147 V HA -0.252 3.868 4.120 -0.000 0.000 0.250 147 V C 1.451 177.638 176.094 0.154 0.000 1.058 147 V CA 2.071 64.449 62.300 0.129 0.000 1.064 147 V CB -0.468 31.406 31.823 0.084 0.000 0.675 147 V HN 0.386 nan 8.190 nan 0.000 0.461 148 D N 0.608 121.065 120.400 0.096 0.000 2.117 148 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 148 D C 2.168 178.508 176.300 0.066 0.000 0.987 148 D CA 1.705 55.747 54.000 0.071 0.000 0.829 148 D CB -0.275 40.556 40.800 0.051 0.000 0.961 148 D HN 0.564 nan 8.370 nan 0.000 0.460 149 A N -0.362 122.507 122.820 0.081 0.000 1.968 149 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 149 A C 2.107 179.751 177.584 0.100 0.000 1.169 149 A CA 0.830 52.907 52.037 0.067 0.000 0.638 149 A CB -0.787 18.254 19.000 0.067 0.000 0.812 149 A HN 0.312 nan 8.150 nan 0.000 0.446 150 Y N 1.796 122.111 120.300 0.026 0.000 2.145 150 Y HA -0.184 4.366 4.550 -0.000 0.000 0.286 150 Y C 1.807 177.722 175.900 0.024 0.000 1.145 150 Y CA 1.962 60.080 58.100 0.031 0.000 1.148 150 Y CB -0.327 38.144 38.460 0.019 0.000 0.981 150 Y HN 0.328 nan 8.280 nan 0.000 0.507 151 N N 0.606 119.252 118.700 -0.089 0.000 2.585 151 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 151 N C 1.200 176.620 175.510 -0.149 0.000 1.102 151 N CA 1.215 54.164 53.050 -0.168 0.000 0.920 151 N CB -0.081 38.392 38.487 -0.024 0.000 0.963 151 N HN 0.559 nan 8.380 nan 0.000 0.447 152 K N -0.597 119.735 120.400 -0.114 0.000 2.286 152 K HA 0.175 4.495 4.320 -0.000 0.000 0.203 152 K C 1.621 178.171 176.600 -0.083 0.000 1.078 152 K CA 0.270 56.509 56.287 -0.080 0.000 0.957 152 K CB 0.630 33.103 32.500 -0.046 0.000 1.018 152 K HN -0.101 nan 8.250 nan 0.000 0.484 153 V N 0.405 120.279 119.914 -0.065 0.000 3.431 153 V HA 0.194 4.314 4.120 -0.000 0.000 0.253 153 V C 1.027 177.116 176.094 -0.008 0.000 1.184 153 V CA 0.400 62.701 62.300 0.001 0.000 1.104 153 V CB -0.157 31.708 31.823 0.070 0.000 0.799 153 V HN 0.573 nan 8.190 nan 0.000 0.462 154 G N 0.369 109.068 108.800 -0.168 0.000 2.641 154 G HA2 0.222 4.182 3.960 -0.000 0.000 0.254 154 G HA3 0.222 4.182 3.960 -0.000 0.000 0.254 154 G C 0.690 175.669 174.900 0.131 0.000 1.315 154 G CA -0.129 44.813 45.100 -0.263 0.000 0.907 154 G HN 1.762 nan 8.290 nan 0.000 0.572 155 G N -0.908 107.991 108.800 0.165 0.000 2.528 155 G HA2 0.028 3.988 3.960 -0.000 0.000 0.262 155 G HA3 0.028 3.988 3.960 -0.000 0.000 0.262 155 G C -0.081 174.871 174.900 0.087 0.000 1.200 155 G CA 0.960 46.119 45.100 0.097 0.000 0.951 155 G HN 2.105 nan 8.290 nan 0.000 0.566 156 N N -0.266 118.380 118.700 -0.090 0.000 2.361 156 N HA 0.728 5.468 4.740 -0.000 0.000 0.302 156 N C -0.794 174.790 175.510 0.124 0.000 1.074 156 N CA -0.566 52.364 53.050 -0.201 0.000 0.850 156 N CB 1.859 39.835 38.487 -0.851 0.000 1.228 156 N HN 0.583 nan 8.380 nan 0.000 0.491 157 L N 1.729 123.048 121.223 0.160 0.000 2.409 157 L HA 0.655 4.995 4.340 -0.000 0.000 0.262 157 L C -0.821 176.147 176.870 0.164 0.000 0.992 157 L CA -0.914 54.069 54.840 0.238 0.000 0.817 157 L CB 1.869 44.032 42.059 0.173 0.000 1.350 157 L HN 0.545 nan 8.230 nan 0.000 0.411 158 I N -1.512 119.116 120.570 0.097 0.000 2.994 158 I HA 0.496 4.666 4.170 -0.000 0.000 0.306 158 I C -0.912 175.134 176.117 -0.118 0.000 1.195 158 I CA -0.763 60.485 61.300 -0.088 0.000 1.001 158 I CB 1.683 39.588 38.000 -0.160 0.000 1.244 158 I HN 0.686 nan 8.210 nan 0.000 0.437 159 C N 4.435 123.613 119.300 -0.204 0.000 2.514 159 C HA 0.837 5.297 4.460 -0.000 0.000 0.392 159 C C 0.633 175.548 174.990 -0.124 0.000 1.294 159 C CA 0.328 59.262 59.018 -0.139 0.000 1.957 159 C CB -0.475 27.161 27.740 -0.173 0.000 2.541 159 C HN 0.993 nan 8.230 nan 0.000 0.569 160 A N 4.884 127.666 122.820 -0.063 0.000 2.413 160 A HA 0.947 5.267 4.320 -0.000 0.000 0.307 160 A C -0.692 176.878 177.584 -0.023 0.000 1.087 160 A CA -0.382 51.621 52.037 -0.057 0.000 0.750 160 A CB 1.291 20.256 19.000 -0.058 0.000 1.296 160 A HN 1.011 nan 8.150 nan 0.000 0.423 184 T N -2.267 112.303 114.554 0.027 0.000 3.295 184 T HA 0.377 4.727 4.350 -0.000 0.000 0.331 184 T C -0.991 173.778 174.700 0.114 0.000 1.142 184 T CA -0.854 61.272 62.100 0.042 0.000 1.078 184 T CB 1.608 70.482 68.868 0.010 0.000 1.150 184 T HN 0.584 nan 8.240 nan 0.000 0.465 185 E N 1.993 122.286 120.200 0.156 0.000 2.384 185 E HA 0.324 4.674 4.350 -0.000 0.000 0.266 185 E C 0.113 176.716 176.600 0.004 0.000 1.012 185 E CA -0.690 55.812 56.400 0.169 0.000 0.901 185 E CB 1.518 31.309 29.700 0.151 0.000 0.967 185 E HN 0.541 nan 8.360 nan 0.000 0.435 186 V N 4.017 123.870 119.914 -0.102 0.000 2.348 186 V HA 0.085 4.205 4.120 -0.000 0.000 0.270 186 V C 0.457 176.462 176.094 -0.148 0.000 1.037 186 V CA -0.133 62.040 62.300 -0.212 0.000 0.872 186 V CB 0.778 32.292 31.823 -0.516 0.000 1.002 186 V HN 0.660 nan 8.190 nan 0.000 0.464 187 K N 4.805 125.153 120.400 -0.086 0.000 2.379 187 K HA 0.404 4.724 4.320 -0.000 0.000 0.194 187 K C 0.654 177.231 176.600 -0.038 0.000 1.031 187 K CA 0.666 56.929 56.287 -0.040 0.000 1.037 187 K CB 0.739 33.227 32.500 -0.020 0.000 0.824 187 K HN 0.894 nan 8.250 nan 0.000 0.516 188 G N 0.792 109.549 108.800 -0.071 0.000 2.466 188 G HA2 0.488 4.448 3.960 -0.000 0.000 0.291 188 G HA3 0.488 4.448 3.960 -0.000 0.000 0.291 188 G C -1.663 173.195 174.900 -0.071 0.000 1.460 188 G CA -0.874 44.198 45.100 -0.048 0.000 0.791 188 G HN 0.072 nan 8.290 nan 0.000 0.505 205 I N 2.462 122.923 120.570 -0.182 0.000 2.648 205 I HA 0.468 4.638 4.170 -0.000 0.000 0.304 205 I C 1.477 177.427 176.117 -0.279 0.000 1.009 205 I CA -0.241 60.962 61.300 -0.161 0.000 1.114 205 I CB 1.801 39.730 38.000 -0.118 0.000 1.293 205 I HN 0.788 nan 8.210 nan 0.000 0.449 206 G N 3.727 112.451 108.800 -0.125 0.000 3.157 206 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.232 206 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.232 206 G C 0.383 175.242 174.900 -0.068 0.000 0.989 206 G CA 0.166 45.250 45.100 -0.026 0.000 1.826 206 G HN 0.359 nan 8.290 nan 0.000 0.580 207 R N -0.335 119.973 120.500 -0.320 0.000 2.510 207 R HA 0.520 4.860 4.340 -0.000 0.000 0.294 207 R C -1.519 174.607 176.300 -0.289 0.000 1.056 207 R CA -0.867 55.117 56.100 -0.192 0.000 0.918 207 R CB 0.940 31.114 30.300 -0.210 0.000 1.187 207 R HN 0.218 nan 8.270 nan 0.000 0.437 208 Y N 2.739 122.957 120.300 -0.136 0.000 2.576 208 Y HA 0.643 5.193 4.550 -0.000 0.000 0.346 208 Y C 0.006 175.761 175.900 -0.242 0.000 1.018 208 Y CA -1.179 56.831 58.100 -0.150 0.000 1.050 208 Y CB 1.902 40.270 38.460 -0.153 0.000 1.280 208 Y HN 0.275 nan 8.280 nan 0.000 0.474 209 I N 3.934 124.448 120.570 -0.093 0.000 2.497 209 I HA 0.397 4.567 4.170 -0.000 0.000 0.284 209 I C -1.271 174.634 176.117 -0.354 0.000 1.060 209 I CA -0.355 60.769 61.300 -0.294 0.000 1.071 209 I CB 1.249 39.064 38.000 -0.309 0.000 1.216 209 I HN 0.387 nan 8.210 nan 0.000 0.442 210 L N 4.937 125.792 121.223 -0.613 0.000 2.323 210 L HA 0.533 4.873 4.340 -0.000 0.000 0.265 210 L C -0.289 176.340 176.870 -0.402 0.000 1.012 210 L CA -1.016 53.477 54.840 -0.579 0.000 0.820 210 L CB 1.823 43.423 42.059 -0.765 0.000 1.334 210 L HN 0.425 nan 8.230 nan 0.000 0.427 211 Q N 2.158 121.851 119.800 -0.178 0.000 2.260 211 Q HA 0.227 4.567 4.340 -0.000 0.000 0.242 211 Q C -1.695 174.390 176.000 0.141 0.000 0.932 211 Q CA -1.939 53.860 55.803 -0.006 0.000 0.891 211 Q CB 1.295 30.019 28.738 -0.023 0.000 1.222 211 Q HN 0.322 nan 8.270 nan 0.000 0.453 212 P HA -0.210 nan 4.420 nan 0.000 0.218 212 P C 0.453 177.811 177.300 0.097 0.000 1.146 212 P CA 1.386 64.575 63.100 0.149 0.000 0.813 212 P CB 0.387 32.131 31.700 0.073 0.000 0.778 213 E N 0.031 120.270 120.200 0.065 0.000 2.265 213 E HA -0.072 4.278 4.350 -0.000 0.000 0.196 213 E C 2.102 178.734 176.600 0.053 0.000 0.996 213 E CA 0.755 57.179 56.400 0.040 0.000 0.832 213 E CB -1.259 28.449 29.700 0.014 0.000 0.756 213 E HN 0.229 nan 8.360 nan 0.000 0.491 214 V N 1.284 121.249 119.914 0.085 0.000 2.548 214 V HA -0.190 3.930 4.120 -0.000 0.000 0.249 214 V C 2.408 178.585 176.094 0.137 0.000 1.055 214 V CA 1.186 63.546 62.300 0.099 0.000 1.065 214 V CB -0.434 31.449 31.823 0.099 0.000 0.681 214 V HN 0.198 nan 8.190 nan 0.000 0.462 215 M N -0.230 119.456 119.600 0.143 0.000 2.067 215 M HA -0.140 4.340 4.480 -0.000 0.000 0.260 215 M C 2.432 178.775 176.300 0.073 0.000 1.069 215 M CA 1.827 57.158 55.300 0.052 0.000 1.117 215 M CB -1.051 31.486 32.600 -0.105 0.000 1.334 215 M HN 0.202 nan 8.290 nan 0.000 0.407 216 R N 0.150 120.681 120.500 0.052 0.000 2.103 216 R HA -0.141 4.199 4.340 -0.000 0.000 0.242 216 R C 1.971 178.311 176.300 0.067 0.000 1.142 216 R CA 1.265 57.397 56.100 0.053 0.000 0.960 216 R CB -1.215 29.106 30.300 0.034 0.000 0.858 216 R HN 0.288 nan 8.270 nan 0.000 0.439 217 I N 0.039 120.646 120.570 0.062 0.000 2.493 217 I HA -0.133 4.037 4.170 -0.000 0.000 0.254 217 I C 1.579 177.731 176.117 0.059 0.000 1.160 217 I CA 1.164 62.495 61.300 0.052 0.000 1.445 217 I CB 0.020 38.045 38.000 0.043 0.000 1.086 217 I HN 0.105 nan 8.210 nan 0.000 0.433 218 L N -0.483 120.797 121.223 0.094 0.000 2.095 218 L HA -0.126 4.214 4.340 -0.000 0.000 0.204 218 L C 2.332 179.264 176.870 0.103 0.000 1.080 218 L CA 1.051 55.951 54.840 0.101 0.000 0.759 218 L CB -0.594 41.575 42.059 0.183 0.000 0.914 218 L HN 0.202 nan 8.230 nan 0.000 0.439 219 E N 0.018 120.364 120.200 0.244 0.000 2.058 219 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 219 E C 0.737 177.406 176.600 0.114 0.000 0.997 219 E CA 0.471 57.065 56.400 0.324 0.000 0.801 219 E CB -0.131 29.741 29.700 0.286 0.000 0.746 219 E HN 0.470 nan 8.360 nan 0.000 0.450 231 L N 2.131 123.377 121.223 0.039 0.000 1.956 231 L HA -0.163 4.177 4.340 -0.000 0.000 0.216 231 L C 1.836 178.746 176.870 0.067 0.000 1.073 231 L CA 3.259 58.125 54.840 0.043 0.000 0.762 231 L CB -0.838 41.229 42.059 0.014 0.000 0.889 231 L HN 0.904 nan 8.230 nan 0.000 0.433 232 T N -0.868 113.733 114.554 0.080 0.000 2.570 232 T HA -0.283 4.067 4.350 -0.000 0.000 0.266 232 T C 1.305 176.061 174.700 0.094 0.000 1.071 232 T CA 1.380 63.543 62.100 0.104 0.000 1.172 232 T CB -1.381 67.539 68.868 0.086 0.000 0.864 232 T HN 0.630 nan 8.240 nan 0.000 0.421 233 D N 1.991 122.430 120.400 0.066 0.000 2.368 233 D HA 0.257 4.897 4.640 -0.000 0.000 0.250 233 D C 1.346 177.681 176.300 0.059 0.000 1.142 233 D CA 0.591 54.626 54.000 0.057 0.000 0.925 233 D CB -0.399 40.424 40.800 0.037 0.000 0.896 233 D HN 0.606 nan 8.370 nan 0.000 0.525 234 A N -0.475 122.387 122.820 0.071 0.000 2.070 234 A HA 0.241 4.561 4.320 -0.000 0.000 0.202 234 A C 2.108 179.738 177.584 0.077 0.000 1.277 234 A CA 0.075 52.149 52.037 0.062 0.000 0.872 234 A CB -0.161 18.872 19.000 0.055 0.000 0.933 234 A HN 0.194 nan 8.150 nan 0.000 0.475 235 M N 0.687 120.357 119.600 0.117 0.000 2.159 235 M HA -0.236 4.244 4.480 -0.000 0.000 0.263 235 M C 2.377 178.827 176.300 0.250 0.000 1.063 235 M CA 1.997 57.402 55.300 0.174 0.000 1.110 235 M CB -0.639 32.167 32.600 0.343 0.000 1.374 235 M HN 0.707 nan 8.290 nan 0.000 0.411 236 Q N 0.503 120.428 119.800 0.208 0.000 2.124 236 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 236 Q C 1.704 177.776 176.000 0.121 0.000 0.977 236 Q CA 1.186 57.094 55.803 0.176 0.000 0.850 236 Q CB -0.539 28.262 28.738 0.104 0.000 0.901 236 Q HN 0.452 nan 8.270 nan 0.000 0.429 237 R N -0.223 120.326 120.500 0.082 0.000 2.377 237 R HA 0.042 4.382 4.340 -0.000 0.000 0.207 237 R C 0.398 176.724 176.300 0.043 0.000 1.075 237 R CA 0.506 56.638 56.100 0.053 0.000 1.035 237 R CB 0.109 30.431 30.300 0.038 0.000 0.857 237 R HN 0.363 nan 8.270 nan 0.000 0.475 238 M N 0.366 119.998 119.600 0.053 0.000 2.771 238 M HA 0.129 4.609 4.480 -0.000 0.000 0.341 238 M C 1.095 177.432 176.300 0.062 0.000 1.226 238 M CA 0.084 55.385 55.300 0.001 0.000 0.955 238 M CB 0.053 32.579 32.600 -0.124 0.000 1.318 238 M HN 0.091 nan 8.290 nan 0.000 0.514 239 I N -1.949 118.687 120.570 0.111 0.000 2.272 239 I HA 0.238 4.408 4.170 -0.000 0.000 0.235 239 I C 1.467 177.628 176.117 0.074 0.000 1.071 239 I CA 0.502 61.883 61.300 0.134 0.000 1.374 239 I CB -1.102 36.958 38.000 0.100 0.000 1.121 239 I HN 0.196 nan 8.210 nan 0.000 0.420 240 G N 0.285 109.114 108.800 0.047 0.000 2.486 240 G HA2 0.222 4.182 3.960 -0.000 0.000 0.272 240 G HA3 0.222 4.182 3.960 -0.000 0.000 0.272 240 G C -0.003 174.910 174.900 0.023 0.000 1.426 240 G CA 0.802 45.921 45.100 0.031 0.000 1.058 240 G HN 0.685 nan 8.290 nan 0.000 0.531 241 D N -1.929 118.480 120.400 0.014 0.000 4.018 241 D HA -0.173 4.467 4.640 -0.000 0.000 0.207 241 D C 0.689 176.986 176.300 -0.005 0.000 1.219 241 D CA 2.162 56.164 54.000 0.004 0.000 2.366 241 D CB -0.656 40.144 40.800 -0.000 0.000 1.202 241 D HN 0.551 nan 8.370 nan 0.000 0.414 242 Q N 0.333 120.122 119.800 -0.017 0.000 2.389 242 Q HA 0.495 4.835 4.340 -0.000 0.000 0.277 242 Q C -2.743 173.231 176.000 -0.043 0.000 1.082 242 Q CA -1.867 53.913 55.803 -0.037 0.000 0.810 242 Q CB 2.776 31.467 28.738 -0.078 0.000 1.374 242 Q HN 0.107 nan 8.270 nan 0.000 0.422 243 P HA 0.018 nan 4.420 nan 0.000 0.266 243 P C -1.221 175.967 177.300 -0.186 0.000 1.215 243 P CA 0.623 63.659 63.100 -0.107 0.000 0.763 243 P CB 0.120 31.842 31.700 0.035 0.000 0.806 244 F N 4.567 124.215 119.950 -0.502 0.000 2.445 244 F HA 0.302 4.829 4.527 0.000 0.000 0.348 244 F C 0.119 175.610 175.800 -0.515 0.000 1.125 244 F CA -0.776 57.007 58.000 -0.363 0.000 0.983 244 F CB 1.197 40.096 39.000 -0.168 0.000 1.198 244 F HN 0.377 nan 8.300 nan 0.000 0.436 245 H N 2.863 122.133 119.070 0.333 0.000 2.747 245 H HA 0.431 4.987 4.556 -0.000 0.000 0.371 245 H C -0.217 175.135 175.328 0.040 0.000 1.161 245 H CA -0.861 55.251 56.048 0.107 0.000 1.167 245 H CB 2.055 31.875 29.762 0.096 0.000 1.732 245 H HN 0.740 nan 8.280 nan 0.000 0.544 246 G N 0.608 109.470 108.800 0.103 0.000 2.356 246 G HA2 0.472 4.432 3.960 -0.000 0.000 0.322 246 G HA3 0.472 4.432 3.960 -0.000 0.000 0.322 246 G C -0.714 174.212 174.900 0.043 0.000 1.125 246 G CA -0.368 44.741 45.100 0.014 0.000 0.885 246 G HN 0.335 nan 8.290 nan 0.000 0.467 247 V N 1.715 121.645 119.914 0.026 0.000 2.459 247 V HA 0.552 4.672 4.120 -0.000 0.000 0.295 247 V C 0.430 176.542 176.094 0.031 0.000 1.029 247 V CA -0.730 61.590 62.300 0.034 0.000 0.874 247 V CB 1.772 33.620 31.823 0.041 0.000 0.985 247 V HN 0.973 nan 8.190 nan 0.000 0.438 248 T N 1.932 116.511 114.554 0.041 0.000 2.799 248 T HA 0.562 4.912 4.350 -0.000 0.000 0.286 248 T C -0.572 174.199 174.700 0.119 0.000 0.973 248 T CA -0.417 61.717 62.100 0.056 0.000 1.035 248 T CB 0.912 69.791 68.868 0.019 0.000 0.932 248 T HN 0.330 nan 8.240 nan 0.000 0.469 249 F N 3.427 123.350 119.950 -0.044 0.000 2.467 249 F HA 0.289 4.816 4.527 -0.000 0.000 0.362 249 F C 0.437 176.210 175.800 -0.045 0.000 1.090 249 F CA -1.342 56.632 58.000 -0.044 0.000 1.202 249 F CB 0.662 39.631 39.000 -0.051 0.000 1.113 249 F HN 0.476 nan 8.300 nan 0.000 0.541 250 Q N 5.740 125.356 119.800 -0.306 0.000 2.844 250 Q HA 0.470 4.810 4.340 -0.000 0.000 0.235 250 Q C 0.354 175.801 176.000 -0.922 0.000 1.336 250 Q CA 0.009 55.547 55.803 -0.442 0.000 1.026 250 Q CB 0.198 28.820 28.738 -0.193 0.000 1.513 250 Q HN 0.956 nan 8.270 nan 0.000 0.577 251 G N -0.041 108.070 108.800 -1.149 0.000 2.317 251 G HA2 0.280 4.240 3.960 -0.000 0.000 0.293 251 G HA3 0.280 4.240 3.960 -0.000 0.000 0.293 251 G C -1.201 173.288 174.900 -0.685 0.000 1.287 251 G CA -0.374 44.091 45.100 -1.059 0.000 0.850 251 G HN 0.292 nan 8.290 nan 0.000 0.515 252 T N -1.658 112.738 114.554 -0.263 0.000 2.856 252 T HA 0.755 5.105 4.350 -0.000 0.000 0.283 252 T C -0.220 174.528 174.700 0.080 0.000 1.008 252 T CA -0.711 61.335 62.100 -0.089 0.000 0.997 252 T CB 2.386 71.186 68.868 -0.114 0.000 0.992 252 T HN 0.762 nan 8.240 nan 0.000 0.454 253 R N 2.029 122.510 120.500 -0.033 0.000 2.460 253 R HA 0.406 4.746 4.340 -0.000 0.000 0.303 253 R C -1.732 174.428 176.300 -0.233 0.000 0.968 253 R CA -0.692 55.416 56.100 0.014 0.000 0.889 253 R CB 0.938 31.287 30.300 0.082 0.000 1.123 253 R HN 0.810 nan 8.270 nan 0.000 0.455 254 Y N 1.505 121.930 120.300 0.209 0.000 2.341 254 Y HA 0.153 4.703 4.550 -0.000 0.000 0.338 254 Y C 0.157 176.167 175.900 0.183 0.000 0.965 254 Y CA -0.809 57.411 58.100 0.200 0.000 1.108 254 Y CB 1.746 40.352 38.460 0.242 0.000 1.180 254 Y HN 0.515 nan 8.280 nan 0.000 0.458 255 D N 2.631 123.192 120.400 0.268 0.000 2.483 255 D HA 0.075 4.715 4.640 -0.000 0.000 0.220 255 D C 0.012 176.467 176.300 0.259 0.000 1.173 255 D CA 0.045 54.175 54.000 0.216 0.000 0.964 255 D CB 0.241 41.134 40.800 0.155 0.000 1.046 255 D HN 0.644 nan 8.370 nan 0.000 0.517 256 C N 2.630 122.091 119.300 0.269 0.000 2.511 256 C HA 0.177 4.637 4.460 -0.000 0.000 0.300 256 C C 2.163 177.322 174.990 0.281 0.000 1.393 256 C CA 0.118 59.312 59.018 0.293 0.000 1.637 256 C CB -1.315 26.554 27.740 0.215 0.000 1.637 256 C HN 0.704 nan 8.230 nan 0.000 0.595 257 G N 0.698 109.652 108.800 0.256 0.000 2.539 257 G HA2 0.040 4.000 3.960 -0.000 0.000 0.215 257 G HA3 0.040 4.000 3.960 -0.000 0.000 0.215 257 G C 0.078 175.177 174.900 0.331 0.000 1.141 257 G CA 0.401 45.648 45.100 0.245 0.000 0.806 257 G HN 0.682 nan 8.290 nan 0.000 0.533 258 D N -1.705 118.862 120.400 0.278 0.000 2.342 258 D HA 0.376 5.016 4.640 -0.000 0.000 0.243 258 D C 1.042 177.426 176.300 0.139 0.000 1.019 258 D CA -0.823 53.265 54.000 0.147 0.000 0.864 258 D CB 1.755 42.605 40.800 0.083 0.000 1.315 258 D HN -0.058 nan 8.370 nan 0.000 0.468 259 K N 1.472 121.767 120.400 -0.175 0.000 2.089 259 K HA -0.254 4.066 4.320 -0.000 0.000 0.210 259 K C 2.003 178.663 176.600 0.100 0.000 1.048 259 K CA 1.794 57.963 56.287 -0.198 0.000 0.926 259 K CB -0.404 31.869 32.500 -0.378 0.000 0.714 259 K HN 0.562 nan 8.250 nan 0.000 0.448 260 A N 1.256 124.118 122.820 0.070 0.000 1.902 260 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 260 A C 2.489 180.164 177.584 0.152 0.000 1.181 260 A CA 1.983 54.078 52.037 0.097 0.000 0.623 260 A CB -1.257 17.784 19.000 0.069 0.000 0.818 260 A HN 0.454 nan 8.150 nan 0.000 0.443 261 G N -1.287 107.630 108.800 0.195 0.000 2.418 261 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 261 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 261 G C 1.460 176.500 174.900 0.233 0.000 1.158 261 G CA 1.131 46.381 45.100 0.249 0.000 0.771 261 G HN 0.524 nan 8.290 nan 0.000 0.545 262 F N 1.322 121.354 119.950 0.137 0.000 2.095 262 F HA -0.037 4.490 4.527 -0.000 0.000 0.298 262 F C 2.377 178.157 175.800 -0.033 0.000 1.104 262 F CA 1.320 59.365 58.000 0.075 0.000 1.232 262 F CB -0.198 38.994 39.000 0.320 0.000 0.987 262 F HN 0.109 nan 8.300 nan 0.000 0.475 263 I N 0.321 120.902 120.570 0.019 0.000 2.179 263 I HA -0.317 3.853 4.170 -0.000 0.000 0.242 263 I C 2.463 178.465 176.117 -0.192 0.000 1.088 263 I CA 1.578 62.803 61.300 -0.126 0.000 1.357 263 I CB -0.620 37.412 38.000 0.054 0.000 1.051 263 I HN 0.215 nan 8.210 nan 0.000 0.409 264 Q N 0.303 120.053 119.800 -0.083 0.000 2.096 264 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 264 Q C 2.439 178.215 176.000 -0.373 0.000 0.982 264 Q CA 1.941 57.702 55.803 -0.069 0.000 0.850 264 Q CB -0.362 28.474 28.738 0.163 0.000 0.901 264 Q HN 0.607 nan 8.270 nan 0.000 0.422 265 A N 1.210 123.664 122.820 -0.611 0.000 1.902 265 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 265 A C 1.828 178.901 177.584 -0.851 0.000 1.181 265 A CA 1.548 52.927 52.037 -1.097 0.000 0.623 265 A CB -0.600 17.849 19.000 -0.919 0.000 0.818 265 A HN 0.343 nan 8.150 nan 0.000 0.443 266 N N -0.505 117.764 118.700 -0.718 0.000 2.166 266 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 266 N C 1.690 176.976 175.510 -0.374 0.000 1.019 266 N CA 1.588 54.287 53.050 -0.586 0.000 0.856 266 N CB -0.258 37.867 38.487 -0.603 0.000 0.993 266 N HN 0.422 nan 8.380 nan 0.000 0.426 267 L N 1.401 122.447 121.223 -0.295 0.000 2.027 267 L HA -0.005 4.335 4.340 -0.000 0.000 0.206 267 L C 2.271 179.064 176.870 -0.128 0.000 1.074 267 L CA 1.432 56.178 54.840 -0.156 0.000 0.745 267 L CB -0.840 41.170 42.059 -0.082 0.000 0.898 267 L HN 0.042 nan 8.230 nan 0.000 0.433 268 A N -0.866 121.841 122.820 -0.187 0.000 1.865 268 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 268 A C 2.240 179.795 177.584 -0.048 0.000 1.191 268 A CA 2.447 54.440 52.037 -0.072 0.000 0.623 268 A CB -1.265 17.652 19.000 -0.138 0.000 0.826 268 A HN 0.306 nan 8.150 nan 0.000 0.444 269 V N -0.170 119.568 119.914 -0.294 0.000 2.343 269 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 269 V C 3.032 179.100 176.094 -0.043 0.000 1.051 269 V CA 1.907 64.071 62.300 -0.227 0.000 1.036 269 V CB -1.353 30.237 31.823 -0.389 0.000 0.654 269 V HN 0.636 nan 8.190 nan 0.000 0.451 270 A N -0.138 122.628 122.820 -0.089 0.000 1.933 270 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 270 A C 2.181 179.774 177.584 0.014 0.000 1.175 270 A CA 1.681 53.694 52.037 -0.040 0.000 0.628 270 A CB -0.542 18.416 19.000 -0.070 0.000 0.814 270 A HN 0.518 nan 8.150 nan 0.000 0.444 271 L N 0.482 121.723 121.223 0.029 0.000 2.362 271 L HA -0.105 4.235 4.340 -0.000 0.000 0.219 271 L C 2.515 179.439 176.870 0.090 0.000 1.134 271 L CA 1.290 56.166 54.840 0.059 0.000 0.807 271 L CB -0.267 41.832 42.059 0.067 0.000 0.927 271 L HN 0.603 nan 8.230 nan 0.000 0.447 272 S N -1.514 114.266 115.700 0.133 0.000 2.575 272 S HA 0.097 4.567 4.470 -0.000 0.000 0.215 272 S C 0.918 175.595 174.600 0.129 0.000 0.966 272 S CA -0.376 57.923 58.200 0.165 0.000 0.911 272 S CB 0.070 63.457 63.200 0.312 0.000 0.780 272 S HN 0.174 nan 8.310 nan 0.000 0.514 273 R N 2.016 122.574 120.500 0.097 0.000 2.198 273 R HA 0.329 4.669 4.340 -0.000 0.000 0.339 273 R C -2.240 174.092 176.300 0.054 0.000 1.020 273 R CA -2.245 53.900 56.100 0.076 0.000 0.864 273 R CB 0.541 30.876 30.300 0.059 0.000 1.105 273 R HN 0.131 nan 8.270 nan 0.000 0.463 274 P HA -0.190 nan 4.420 nan 0.000 0.217 274 P C 0.271 177.589 177.300 0.030 0.000 1.151 274 P CA 1.392 64.515 63.100 0.038 0.000 0.849 274 P CB 0.342 32.063 31.700 0.036 0.000 0.787 275 D N -1.802 118.615 120.400 0.028 0.000 2.347 275 D HA 0.036 4.676 4.640 -0.000 0.000 0.213 275 D C 1.737 178.047 176.300 0.016 0.000 0.985 275 D CA 0.770 54.782 54.000 0.020 0.000 0.879 275 D CB 0.064 40.875 40.800 0.017 0.000 0.919 275 D HN 0.289 nan 8.370 nan 0.000 0.526 276 L N -0.003 121.231 121.223 0.018 0.000 2.577 276 L HA 0.112 4.452 4.340 -0.000 0.000 0.225 276 L C 2.336 179.217 176.870 0.018 0.000 1.053 276 L CA -0.044 54.802 54.840 0.010 0.000 0.866 276 L CB 0.036 42.096 42.059 0.001 0.000 1.132 276 L HN -0.169 nan 8.230 nan 0.000 0.486 277 E N 1.526 121.743 120.200 0.028 0.000 2.065 277 E HA -0.247 4.103 4.350 -0.000 0.000 0.201 277 E C -0.565 176.057 176.600 0.037 0.000 1.016 277 E CA 2.073 58.494 56.400 0.035 0.000 0.818 277 E CB -0.836 28.889 29.700 0.041 0.000 0.749 277 E HN 0.262 nan 8.360 nan 0.000 0.453 278 P HA -0.208 nan 4.420 nan 0.000 0.213 278 P C 1.234 178.559 177.300 0.043 0.000 1.176 278 P CA 2.549 65.669 63.100 0.034 0.000 0.919 278 P CB -0.271 31.445 31.700 0.027 0.000 0.791 279 A N -0.983 121.860 122.820 0.038 0.000 1.902 279 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 279 A C 2.358 179.987 177.584 0.075 0.000 1.181 279 A CA 1.988 54.053 52.037 0.048 0.000 0.623 279 A CB -1.742 17.271 19.000 0.022 0.000 0.818 279 A HN 0.040 nan 8.150 nan 0.000 0.443 280 V N 0.654 120.601 119.914 0.054 0.000 2.295 280 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 280 V C 2.722 178.891 176.094 0.126 0.000 1.049 280 V CA 2.425 64.769 62.300 0.074 0.000 1.024 280 V CB -0.922 30.919 31.823 0.030 0.000 0.648 280 V HN 0.827 nan 8.190 nan 0.000 0.447 281 R N 1.286 121.837 120.500 0.085 0.000 2.075 281 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 281 R C 2.219 178.566 176.300 0.078 0.000 1.126 281 R CA 1.892 58.037 56.100 0.075 0.000 0.963 281 R CB -0.765 29.566 30.300 0.051 0.000 0.858 281 R HN 0.355 nan 8.270 nan 0.000 0.435 282 A N 0.662 123.531 122.820 0.081 0.000 1.892 282 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 282 A C 2.130 179.765 177.584 0.085 0.000 1.188 282 A CA 1.558 53.637 52.037 0.070 0.000 0.631 282 A CB -0.923 18.120 19.000 0.072 0.000 0.822 282 A HN 0.595 nan 8.150 nan 0.000 0.447 283 F N 0.730 120.680 119.950 0.001 0.000 2.113 283 F HA 0.038 4.565 4.527 0.000 0.000 0.297 283 F C 2.523 178.323 175.800 -0.000 0.000 1.103 283 F CA 1.191 59.191 58.000 -0.000 0.000 1.248 283 F CB -0.435 38.564 39.000 -0.002 0.000 0.999 283 F HN 0.260 nan 8.300 nan 0.000 0.475 284 A N 0.415 123.327 122.820 0.154 0.000 1.873 284 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 284 A C 2.245 179.768 177.584 -0.103 0.000 1.193 284 A CA 2.685 54.746 52.037 0.039 0.000 0.629 284 A CB -1.546 17.514 19.000 0.101 0.000 0.826 284 A HN 0.322 nan 8.150 nan 0.000 0.447 285 V N 0.255 120.130 119.914 -0.065 0.000 2.255 285 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 285 V C 2.485 178.502 176.094 -0.127 0.000 1.051 285 V CA 2.536 64.794 62.300 -0.071 0.000 1.018 285 V CB -0.963 30.839 31.823 -0.036 0.000 0.641 285 V HN 0.593 nan 8.190 nan 0.000 0.445 286 K N 1.616 121.909 120.400 -0.179 0.000 2.001 286 K HA -0.160 4.160 4.320 -0.000 0.000 0.214 286 K C 2.107 178.539 176.600 -0.281 0.000 1.050 286 K CA 2.091 58.250 56.287 -0.212 0.000 0.934 286 K CB -1.107 31.246 32.500 -0.244 0.000 0.718 286 K HN 0.402 nan 8.250 nan 0.000 0.443 287 A N 0.672 123.194 122.820 -0.496 0.000 2.076 287 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 287 A C 1.787 179.243 177.584 -0.213 0.000 1.160 287 A CA 1.724 53.482 52.037 -0.465 0.000 0.653 287 A CB -0.857 17.681 19.000 -0.770 0.000 0.801 287 A HN 0.482 nan 8.150 nan 0.000 0.455 288 L N -4.236 116.894 121.223 -0.155 0.000 2.872 288 L HA 0.600 4.940 4.340 -0.000 0.000 0.245 288 L C 0.714 177.547 176.870 -0.062 0.000 1.211 288 L CA -0.157 54.633 54.840 -0.082 0.000 1.013 288 L CB -0.841 41.189 42.059 -0.049 0.000 1.326 288 L HN 0.471 nan 8.230 nan 0.000 0.525 289 G N 0.000 108.756 108.800 -0.073 0.000 5.446 289 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 289 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 289 G CA 0.000 45.069 45.100 -0.051 0.000 0.502 289 G HN 0.000 nan 8.290 nan 0.000 0.925