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 3gsy_1_A DATA FIRST_RESID 26 DATA SEQUENCE DLLScLTFNG VRNHTVFSAD SDSDFNRFLH LSIQNPLFQN SLISKPSAII DATA SEQUENCE LPGSKEELSN TIRcIRKGSW TIRLRSGGHS YEGLSYTSDT PFILIDLMNL DATA SEQUENCE NRVSIDLESE TAWVESGSTL GELYYAITES SSKLGFTAGW CPTVGTGGHI DATA SEQUENCE SGGGFGMMSR KYGLAADNVV DAILIDANGA ILDRQAMGED VFWAIRGGGG DATA SEQUENCE GVWGAIYAWK IKLLPVPEKV TVFRVTKNVA IDEATSLLHK WQFVAEELEE DATA SEQUENCE DFTLSVLGGA DEKQVWLTML GFHFGLKTVA KSTFDLLFPE LGLVEEDYLE DATA SEQUENCE MSWGESFAYL AGLETVSQLN NRFLKFDERA FKTKVDLTKE PLPSKAFYGL DATA SEQUENCE LERLSKEPNG FIALNGFGGQ MSKISSDFTP FPHRSGTRLM VEYIVAWNQS DATA SEQUENCE EQKKKTEFLD WLEKVYEFMK PFVSKNPRLG YVNHIDLDLG GIDWGNKTVV DATA SEQUENCE NNAIEISRSW GESYFLSNYE RLIRAKTLID PNNVFNHPQS IPPMA 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 26 D HA 0.000 nan 4.640 nan 0.000 0.175 26 D C 0.000 176.325 176.300 0.042 0.000 2.045 26 D CA 0.000 54.024 54.000 0.040 0.000 0.868 26 D CB 0.000 40.831 40.800 0.052 0.000 0.688 27 L N 1.822 123.086 121.223 0.069 0.000 2.017 27 L HA 0.075 4.405 4.340 -0.017 0.000 0.208 27 L C 2.028 178.851 176.870 -0.077 0.000 1.073 27 L CA 1.718 56.569 54.840 0.019 0.000 0.745 27 L CB -0.655 41.395 42.059 -0.015 0.000 0.894 27 L HN 0.101 nan 8.230 nan 0.000 0.432 28 L N -0.607 120.548 121.223 -0.114 0.000 2.046 28 L HA -0.200 4.130 4.340 -0.017 0.000 0.208 28 L C 2.693 179.526 176.870 -0.062 0.000 1.077 28 L CA 1.499 56.225 54.840 -0.191 0.000 0.747 28 L CB -1.008 40.960 42.059 -0.152 0.000 0.896 28 L HN 0.511 nan 8.230 nan 0.000 0.432 29 S N -1.177 114.519 115.700 -0.006 0.000 2.382 29 S HA -0.252 4.208 4.470 -0.017 0.000 0.228 29 S C 2.186 176.826 174.600 0.066 0.000 1.027 29 S CA 1.130 59.352 58.200 0.037 0.000 0.991 29 S CB -1.171 62.042 63.200 0.023 0.000 0.823 29 S HN 0.524 nan 8.310 nan 0.000 0.469 30 c N 1.535 120.157 118.600 0.036 0.000 2.453 30 c HA 0.147 4.706 4.570 -0.017 0.000 0.277 30 c C 2.650 176.805 174.090 0.110 0.000 1.262 30 c CA 0.678 57.047 56.329 0.067 0.000 1.718 30 c CB -1.705 40.826 42.510 0.034 0.000 2.031 30 c HN 0.685 nan 8.230 nan 0.000 0.480 31 L N 0.359 121.606 121.223 0.039 0.000 2.046 31 L HA -0.124 4.205 4.340 -0.017 0.000 0.208 31 L C 2.755 179.683 176.870 0.097 0.000 1.077 31 L CA 2.083 56.948 54.840 0.041 0.000 0.747 31 L CB -1.074 40.952 42.059 -0.054 0.000 0.896 31 L HN 0.370 nan 8.230 nan 0.000 0.432 32 T N -0.282 114.340 114.554 0.113 0.000 2.708 32 T HA -0.225 4.114 4.350 -0.017 0.000 0.266 32 T C 1.625 176.399 174.700 0.123 0.000 1.037 32 T CA 1.388 63.564 62.100 0.126 0.000 1.146 32 T CB -0.419 68.525 68.868 0.126 0.000 0.865 32 T HN 0.224 nan 8.240 nan 0.000 0.435 33 F N 2.406 122.366 119.950 0.017 0.000 2.250 33 F HA -0.042 4.475 4.527 -0.017 0.000 0.301 33 F C 1.744 177.548 175.800 0.008 0.000 1.077 33 F CA 0.985 58.991 58.000 0.011 0.000 1.348 33 F CB -0.237 38.768 39.000 0.007 0.000 1.040 33 F HN 0.125 nan 8.300 nan 0.000 0.509 34 N N -0.354 118.398 118.700 0.086 0.000 2.230 34 N HA 0.137 4.867 4.740 -0.017 0.000 0.202 34 N C 1.127 176.621 175.510 -0.027 0.000 1.119 34 N CA 0.777 53.830 53.050 0.005 0.000 0.851 34 N CB 0.526 39.066 38.487 0.089 0.000 0.990 34 N HN 0.370 nan 8.380 nan 0.000 0.497 35 G N 0.960 109.748 108.800 -0.020 0.000 2.137 35 G HA2 -0.241 3.709 3.960 -0.017 0.000 0.237 35 G HA3 -0.241 3.709 3.960 -0.017 0.000 0.237 35 G C -0.121 174.784 174.900 0.008 0.000 1.002 35 G CA -0.116 44.972 45.100 -0.021 0.000 0.702 35 G HN 0.154 nan 8.290 nan 0.000 0.515 36 V N 0.263 120.205 119.914 0.045 0.000 2.333 36 V HA 0.474 4.584 4.120 -0.017 0.000 0.274 36 V C 1.276 177.450 176.094 0.133 0.000 1.028 36 V CA -0.182 62.160 62.300 0.069 0.000 0.851 36 V CB 1.219 33.088 31.823 0.077 0.000 1.000 36 V HN 0.409 nan 8.190 nan 0.000 0.456 37 R N 2.256 122.780 120.500 0.040 0.000 2.279 37 R HA 0.181 4.510 4.340 -0.017 0.000 0.195 37 R C 0.776 176.883 176.300 -0.321 0.000 0.905 37 R CA -0.161 55.895 56.100 -0.074 0.000 1.044 37 R CB 0.307 30.565 30.300 -0.070 0.000 1.056 37 R HN 0.540 nan 8.270 nan 0.000 0.535 38 N N 1.957 120.555 118.700 -0.170 0.000 2.719 38 N HA 0.015 4.744 4.740 -0.017 0.000 0.243 38 N C -1.504 173.910 175.510 -0.160 0.000 1.104 38 N CA 0.014 52.936 53.050 -0.214 0.000 0.981 38 N CB 0.061 38.463 38.487 -0.142 0.000 1.290 38 N HN 0.266 nan 8.380 nan 0.000 0.513 39 H N -1.435 117.599 119.070 -0.060 0.000 3.016 39 H HA 0.584 5.129 4.556 -0.017 0.000 0.362 39 H C -1.087 174.246 175.328 0.008 0.000 1.233 39 H CA -0.979 55.040 56.048 -0.049 0.000 1.124 39 H CB 1.340 31.079 29.762 -0.039 0.000 1.850 39 H HN 0.037 nan 8.280 nan 0.000 0.549 40 T N 1.476 116.165 114.554 0.226 0.000 2.971 40 T HA 0.495 4.835 4.350 -0.017 0.000 0.304 40 T C -0.712 174.149 174.700 0.268 0.000 1.038 40 T CA -0.441 61.815 62.100 0.260 0.000 1.007 40 T CB 0.678 69.755 68.868 0.349 0.000 1.055 40 T HN 0.909 nan 8.240 nan 0.000 0.451 41 V N 3.781 123.787 119.914 0.154 0.000 2.904 41 V HA 0.683 4.793 4.120 -0.017 0.000 0.305 41 V C 0.485 176.431 176.094 -0.246 0.000 1.067 41 V CA -1.090 61.221 62.300 0.017 0.000 1.044 41 V CB 0.386 32.208 31.823 -0.001 0.000 1.050 41 V HN 0.859 nan 8.190 nan 0.000 0.475 42 F N 2.827 122.343 119.950 -0.724 0.000 2.623 42 F HA 0.329 4.845 4.527 -0.017 0.000 0.386 42 F C 0.703 176.039 175.800 -0.772 0.000 1.068 42 F CA 1.373 58.509 58.000 -1.439 0.000 1.265 42 F CB 0.313 38.841 39.000 -0.786 0.000 1.026 42 F HN 0.865 nan 8.300 nan 0.000 0.568 43 S N 4.370 119.139 115.700 -1.552 0.000 2.521 43 S HA 0.681 5.141 4.470 -0.017 0.000 0.295 43 S C 0.404 174.366 174.600 -1.064 0.000 1.098 43 S CA -0.299 57.382 58.200 -0.865 0.000 0.999 43 S CB 1.539 64.537 63.200 -0.336 0.000 1.034 43 S HN 0.991 nan 8.310 nan 0.000 0.483 44 A N 2.778 125.250 122.820 -0.580 0.000 2.167 44 A HA 0.149 4.458 4.320 -0.017 0.000 0.214 44 A C 0.730 178.233 177.584 -0.135 0.000 1.151 44 A CA 0.387 52.269 52.037 -0.258 0.000 0.735 44 A CB -0.481 18.529 19.000 0.016 0.000 0.802 44 A HN 0.809 nan 8.150 nan 0.000 0.467 45 D N 0.192 120.508 120.400 -0.140 0.000 2.426 45 D HA 0.055 4.684 4.640 -0.017 0.000 0.261 45 D C 1.354 177.624 176.300 -0.050 0.000 1.245 45 D CA 0.840 54.797 54.000 -0.072 0.000 0.917 45 D CB 0.648 41.409 40.800 -0.065 0.000 1.123 45 D HN 0.176 nan 8.370 nan 0.000 0.508 46 S N 3.626 119.310 115.700 -0.027 0.000 2.390 46 S HA -0.284 4.175 4.470 -0.017 0.000 0.234 46 S C 0.776 175.358 174.600 -0.030 0.000 1.063 46 S CA 2.020 60.210 58.200 -0.017 0.000 1.108 46 S CB -0.156 63.033 63.200 -0.018 0.000 0.975 46 S HN 0.698 nan 8.310 nan 0.000 0.442 47 D N 0.955 121.329 120.400 -0.042 0.000 2.643 47 D HA 0.282 4.912 4.640 -0.017 0.000 0.244 47 D C 0.456 176.719 176.300 -0.063 0.000 1.257 47 D CA 0.066 54.030 54.000 -0.060 0.000 0.831 47 D CB -0.175 40.584 40.800 -0.068 0.000 1.043 47 D HN 0.400 nan 8.370 nan 0.000 0.488 48 S N -0.509 115.166 115.700 -0.042 0.000 2.580 48 S HA -0.010 4.449 4.470 -0.017 0.000 0.266 48 S C 0.865 175.432 174.600 -0.055 0.000 1.354 48 S CA -0.356 57.825 58.200 -0.032 0.000 1.008 48 S CB 1.237 64.432 63.200 -0.008 0.000 0.898 48 S HN -0.011 nan 8.310 nan 0.000 0.555 49 D N 0.358 120.722 120.400 -0.061 0.000 2.178 49 D HA -0.087 4.543 4.640 -0.017 0.000 0.201 49 D C 1.401 177.633 176.300 -0.114 0.000 0.980 49 D CA 1.071 54.960 54.000 -0.185 0.000 0.842 49 D CB -0.421 40.322 40.800 -0.095 0.000 0.948 49 D HN 0.650 nan 8.370 nan 0.000 0.472 50 F N 2.001 121.930 119.950 -0.034 0.000 2.095 50 F HA -0.203 4.314 4.527 -0.017 0.000 0.298 50 F C 1.922 177.736 175.800 0.023 0.000 1.104 50 F CA 1.432 59.464 58.000 0.054 0.000 1.232 50 F CB -0.294 38.686 39.000 -0.033 0.000 0.987 50 F HN -0.128 nan 8.300 nan 0.000 0.475 51 N N 0.301 119.006 118.700 0.009 0.000 2.188 51 N HA -0.226 4.503 4.740 -0.017 0.000 0.184 51 N C 2.203 177.691 175.510 -0.036 0.000 1.018 51 N CA 1.012 54.055 53.050 -0.012 0.000 0.858 51 N CB -0.213 38.340 38.487 0.110 0.000 0.989 51 N HN 0.354 nan 8.380 nan 0.000 0.426 52 R N -0.199 120.201 120.500 -0.168 0.000 2.073 52 R HA -0.108 4.221 4.340 -0.017 0.000 0.234 52 R C 1.859 178.008 176.300 -0.253 0.000 1.134 52 R CA 1.429 57.372 56.100 -0.262 0.000 0.952 52 R CB -0.235 29.801 30.300 -0.440 0.000 0.850 52 R HN 0.101 nan 8.270 nan 0.000 0.433 53 F N 0.529 120.387 119.950 -0.153 0.000 2.186 53 F HA -0.115 4.401 4.527 -0.018 0.000 0.299 53 F C 2.037 177.699 175.800 -0.230 0.000 1.090 53 F CA 0.631 58.530 58.000 -0.168 0.000 1.307 53 F CB -0.773 38.139 39.000 -0.148 0.000 1.019 53 F HN 0.102 nan 8.300 nan 0.000 0.489 54 L N -0.343 120.755 121.223 -0.207 0.000 2.017 54 L HA -0.219 4.111 4.340 -0.017 0.000 0.208 54 L C 2.404 179.064 176.870 -0.350 0.000 1.073 54 L CA 2.132 56.753 54.840 -0.364 0.000 0.745 54 L CB -1.007 40.691 42.059 -0.602 0.000 0.894 54 L HN 0.194 nan 8.230 nan 0.000 0.432 55 H N -1.462 117.509 119.070 -0.166 0.000 2.535 55 H HA 0.016 4.562 4.556 -0.018 0.000 0.273 55 H C 2.094 177.345 175.328 -0.129 0.000 0.983 55 H CA 0.882 56.840 56.048 -0.149 0.000 1.238 55 H CB 0.286 29.977 29.762 -0.118 0.000 1.412 55 H HN 0.266 nan 8.280 nan 0.000 0.562 56 L N 0.731 121.942 121.223 -0.020 0.000 2.043 56 L HA -0.138 4.191 4.340 -0.017 0.000 0.212 56 L C 1.360 178.277 176.870 0.077 0.000 1.075 56 L CA 1.689 56.506 54.840 -0.038 0.000 0.752 56 L CB -0.180 41.846 42.059 -0.055 0.000 0.891 56 L HN -0.056 nan 8.230 nan 0.000 0.432 57 S N -1.041 114.682 115.700 0.038 0.000 2.651 57 S HA 0.379 4.839 4.470 -0.017 0.000 0.246 57 S C 0.389 174.899 174.600 -0.150 0.000 1.039 57 S CA -0.460 57.761 58.200 0.034 0.000 1.013 57 S CB -0.068 63.182 63.200 0.084 0.000 0.861 57 S HN 0.149 nan 8.310 nan 0.000 0.485 58 I N 2.586 123.012 120.570 -0.240 0.000 2.322 58 I HA 0.155 4.314 4.170 -0.017 0.000 0.292 58 I C 0.998 177.051 176.117 -0.108 0.000 1.060 58 I CA -0.121 60.953 61.300 -0.376 0.000 1.309 58 I CB 0.958 38.710 38.000 -0.413 0.000 1.415 58 I HN 0.114 nan 8.210 nan 0.000 0.492 59 Q N 3.523 123.286 119.800 -0.062 0.000 2.319 59 Q HA 0.138 4.468 4.340 -0.017 0.000 0.209 59 Q C -0.019 176.068 176.000 0.146 0.000 0.884 59 Q CA 0.244 56.005 55.803 -0.071 0.000 0.938 59 Q CB 0.223 28.647 28.738 -0.523 0.000 1.098 59 Q HN 0.504 nan 8.270 nan 0.000 0.517 60 N N 1.047 119.877 118.700 0.216 0.000 2.569 60 N HA 0.209 4.938 4.740 -0.017 0.000 0.254 60 N C -2.294 173.284 175.510 0.113 0.000 1.004 60 N CA -2.047 51.117 53.050 0.190 0.000 0.904 60 N CB 1.740 40.266 38.487 0.065 0.000 1.165 60 N HN -0.248 nan 8.380 nan 0.000 0.513 61 P HA -0.125 nan 4.420 nan 0.000 0.222 61 P C 1.486 178.737 177.300 -0.081 0.000 1.142 61 P CA 0.386 63.482 63.100 -0.008 0.000 0.788 61 P CB 0.373 32.039 31.700 -0.056 0.000 0.767 62 L N -1.617 119.448 121.223 -0.263 0.000 2.187 62 L HA -0.089 4.241 4.340 -0.017 0.000 0.213 62 L C 1.026 177.573 176.870 -0.538 0.000 1.100 62 L CA 1.847 56.396 54.840 -0.484 0.000 0.765 62 L CB -1.050 40.510 42.059 -0.831 0.000 0.904 62 L HN -0.104 nan 8.230 nan 0.000 0.437 63 F N -1.553 118.449 119.950 0.087 0.000 2.850 63 F HA 0.322 4.838 4.527 -0.018 0.000 0.306 63 F C 1.794 177.725 175.800 0.219 0.000 1.162 63 F CA -0.106 57.992 58.000 0.162 0.000 1.327 63 F CB -0.183 38.935 39.000 0.198 0.000 0.953 63 F HN 0.100 nan 8.300 nan 0.000 0.507 64 Q N 0.426 120.379 119.800 0.256 0.000 2.317 64 Q HA 0.075 4.404 4.340 -0.017 0.000 0.220 64 Q C 0.594 176.762 176.000 0.280 0.000 0.873 64 Q CA -0.126 55.846 55.803 0.281 0.000 0.936 64 Q CB 0.398 29.275 28.738 0.231 0.000 1.105 64 Q HN 0.499 nan 8.270 nan 0.000 0.520 65 N N -0.973 117.846 118.700 0.198 0.000 2.399 65 N HA -0.057 4.672 4.740 -0.017 0.000 0.250 65 N C 0.697 176.321 175.510 0.190 0.000 1.272 65 N CA 0.601 53.750 53.050 0.166 0.000 0.928 65 N CB 0.811 39.371 38.487 0.122 0.000 1.158 65 N HN -0.011 nan 8.380 nan 0.000 0.463 66 S N 0.349 116.147 115.700 0.162 0.000 2.469 66 S HA -0.104 4.355 4.470 -0.017 0.000 0.238 66 S C 1.448 176.149 174.600 0.167 0.000 0.998 66 S CA 0.497 58.801 58.200 0.173 0.000 0.957 66 S CB -0.695 62.588 63.200 0.138 0.000 0.764 66 S HN 0.580 nan 8.310 nan 0.000 0.514 67 L N 0.002 121.314 121.223 0.148 0.000 2.395 67 L HA 0.276 4.605 4.340 -0.017 0.000 0.218 67 L C 0.420 177.384 176.870 0.156 0.000 1.130 67 L CA 0.062 54.982 54.840 0.135 0.000 0.826 67 L CB -0.405 41.720 42.059 0.110 0.000 0.941 67 L HN 0.258 nan 8.230 nan 0.000 0.451 68 I N -0.128 120.558 120.570 0.193 0.000 2.638 68 I HA -0.040 4.119 4.170 -0.017 0.000 0.286 68 I C 1.115 177.375 176.117 0.238 0.000 1.088 68 I CA 0.199 61.632 61.300 0.221 0.000 1.397 68 I CB 1.048 39.215 38.000 0.278 0.000 1.414 68 I HN 0.057 nan 8.210 nan 0.000 0.566 69 S N 5.731 121.572 115.700 0.235 0.000 2.558 69 S HA 0.190 4.650 4.470 -0.017 0.000 0.288 69 S C -0.333 174.532 174.600 0.442 0.000 1.318 69 S CA -0.475 57.910 58.200 0.309 0.000 1.056 69 S CB 0.332 63.708 63.200 0.294 0.000 0.853 69 S HN 0.416 nan 8.310 nan 0.000 0.505 70 K N 2.072 122.719 120.400 0.412 0.000 2.318 70 K HA 0.553 4.863 4.320 -0.017 0.000 0.249 70 K C -3.076 173.516 176.600 -0.014 0.000 0.942 70 K CA -2.491 54.024 56.287 0.380 0.000 0.808 70 K CB 1.165 33.955 32.500 0.485 0.000 1.189 70 K HN 0.359 nan 8.250 nan 0.000 0.428 71 P HA 0.144 nan 4.420 nan 0.000 0.269 71 P C 0.254 177.434 177.300 -0.200 0.000 1.209 71 P CA -0.031 62.565 63.100 -0.839 0.000 0.776 71 P CB 0.565 32.060 31.700 -0.342 0.000 0.876 72 S N 0.258 115.765 115.700 -0.322 0.000 2.461 72 S HA 0.232 4.692 4.470 -0.017 0.000 0.228 72 S C 0.779 175.300 174.600 -0.132 0.000 1.005 72 S CA 0.956 59.049 58.200 -0.179 0.000 0.942 72 S CB -0.155 62.974 63.200 -0.117 0.000 0.776 72 S HN 0.757 nan 8.310 nan 0.000 0.514 73 A N 0.341 123.089 122.820 -0.120 0.000 2.610 73 A HA 0.745 5.054 4.320 -0.017 0.000 0.291 73 A C -1.689 175.936 177.584 0.068 0.000 1.086 73 A CA -0.735 51.309 52.037 0.011 0.000 0.677 73 A CB 0.893 19.792 19.000 -0.168 0.000 1.278 73 A HN 0.192 nan 8.150 nan 0.000 0.414 74 I N 1.759 122.413 120.570 0.141 0.000 2.436 74 I HA 0.428 4.587 4.170 -0.017 0.000 0.289 74 I C -1.087 175.039 176.117 0.015 0.000 1.010 74 I CA -0.638 60.693 61.300 0.051 0.000 1.098 74 I CB 1.720 39.734 38.000 0.023 0.000 1.266 74 I HN 0.371 nan 8.210 nan 0.000 0.434 75 I N 6.954 127.516 120.570 -0.014 0.000 2.433 75 I HA 0.358 4.517 4.170 -0.017 0.000 0.292 75 I C -0.476 175.619 176.117 -0.037 0.000 1.001 75 I CA -0.868 60.430 61.300 -0.003 0.000 1.119 75 I CB 1.660 39.659 38.000 -0.002 0.000 1.289 75 I HN 0.382 nan 8.210 nan 0.000 0.438 76 L N 8.255 129.437 121.223 -0.068 0.000 2.435 76 L HA 0.407 4.736 4.340 -0.017 0.000 0.253 76 L C -2.096 174.751 176.870 -0.037 0.000 1.087 76 L CA -1.280 53.511 54.840 -0.082 0.000 0.950 76 L CB 0.751 42.703 42.059 -0.179 0.000 1.304 76 L HN 0.330 nan 8.230 nan 0.000 0.453 77 P HA 0.139 nan 4.420 nan 0.000 0.268 77 P C 0.633 177.943 177.300 0.017 0.000 1.205 77 P CA -0.053 63.054 63.100 0.012 0.000 0.771 77 P CB 1.250 32.969 31.700 0.030 0.000 0.858 78 G N 0.381 109.188 108.800 0.011 0.000 3.192 78 G HA2 0.285 4.235 3.960 -0.017 0.000 0.239 78 G HA3 0.285 4.235 3.960 -0.017 0.000 0.239 78 G C 0.057 174.976 174.900 0.031 0.000 1.084 78 G CA 0.092 45.203 45.100 0.018 0.000 0.784 78 G HN 0.724 nan 8.290 nan 0.000 0.540 79 S N -1.045 114.665 115.700 0.016 0.000 2.615 79 S HA 0.345 4.805 4.470 -0.017 0.000 0.269 79 S C 0.866 175.377 174.600 -0.149 0.000 1.161 79 S CA -0.167 58.013 58.200 -0.032 0.000 0.817 79 S CB 1.453 64.610 63.200 -0.071 0.000 1.131 79 S HN 0.186 nan 8.310 nan 0.000 0.467 80 K N 0.468 120.584 120.400 -0.475 0.000 2.097 80 K HA -0.068 4.242 4.320 -0.017 0.000 0.206 80 K C 1.173 177.583 176.600 -0.316 0.000 1.049 80 K CA 1.811 57.676 56.287 -0.704 0.000 0.933 80 K CB -0.431 31.300 32.500 -1.282 0.000 0.717 80 K HN 0.541 nan 8.250 nan 0.000 0.442 81 E N 1.467 121.527 120.200 -0.233 0.000 2.077 81 E HA -0.132 4.208 4.350 -0.017 0.000 0.193 81 E C 1.908 178.459 176.600 -0.081 0.000 0.989 81 E CA 1.542 57.860 56.400 -0.136 0.000 0.800 81 E CB -0.016 29.616 29.700 -0.113 0.000 0.746 81 E HN 0.440 nan 8.360 nan 0.000 0.452 82 E N -0.029 120.130 120.200 -0.069 0.000 2.110 82 E HA -0.179 4.161 4.350 -0.017 0.000 0.193 82 E C 1.945 178.539 176.600 -0.010 0.000 0.988 82 E CA 0.617 57.000 56.400 -0.028 0.000 0.804 82 E CB -0.077 29.613 29.700 -0.016 0.000 0.745 82 E HN 0.111 nan 8.360 nan 0.000 0.458 83 L N 0.841 122.052 121.223 -0.019 0.000 2.056 83 L HA -0.150 4.179 4.340 -0.017 0.000 0.207 83 L C 2.387 179.269 176.870 0.021 0.000 1.078 83 L CA 1.900 56.750 54.840 0.016 0.000 0.749 83 L CB -0.856 41.224 42.059 0.036 0.000 0.901 83 L HN -0.029 nan 8.230 nan 0.000 0.433 84 S N -0.230 115.462 115.700 -0.013 0.000 2.353 84 S HA -0.219 4.240 4.470 -0.017 0.000 0.222 84 S C 1.882 176.496 174.600 0.023 0.000 1.035 84 S CA 1.768 59.970 58.200 0.003 0.000 1.025 84 S CB -0.437 62.744 63.200 -0.031 0.000 0.902 84 S HN 0.656 nan 8.310 nan 0.000 0.440 85 N N 0.524 119.231 118.700 0.012 0.000 2.270 85 N HA -0.019 4.711 4.740 -0.017 0.000 0.181 85 N C 1.753 177.284 175.510 0.035 0.000 1.016 85 N CA 1.473 54.539 53.050 0.027 0.000 0.870 85 N CB -1.033 37.468 38.487 0.022 0.000 0.979 85 N HN 0.464 nan 8.380 nan 0.000 0.431 86 T N 1.864 116.436 114.554 0.030 0.000 2.674 86 T HA 0.001 4.341 4.350 -0.017 0.000 0.265 86 T C 2.126 176.846 174.700 0.033 0.000 1.039 86 T CA 0.710 62.825 62.100 0.025 0.000 1.150 86 T CB -0.159 68.725 68.868 0.027 0.000 0.864 86 T HN 0.155 nan 8.240 nan 0.000 0.427 87 I N 0.673 121.278 120.570 0.059 0.000 2.163 87 I HA -0.217 3.943 4.170 -0.017 0.000 0.243 87 I C 2.790 178.939 176.117 0.054 0.000 1.085 87 I CA 1.419 62.763 61.300 0.074 0.000 1.347 87 I CB -0.334 37.751 38.000 0.142 0.000 1.044 87 I HN 0.149 nan 8.210 nan 0.000 0.408 88 R N -0.211 120.322 120.500 0.054 0.000 2.091 88 R HA -0.191 4.138 4.340 -0.017 0.000 0.238 88 R C 2.407 178.735 176.300 0.046 0.000 1.136 88 R CA 1.840 57.970 56.100 0.049 0.000 0.959 88 R CB -0.717 29.612 30.300 0.049 0.000 0.856 88 R HN 0.438 nan 8.270 nan 0.000 0.437 89 c N 0.334 118.962 118.600 0.046 0.000 2.446 89 c HA 0.001 4.561 4.570 -0.017 0.000 0.277 89 c C 2.544 176.675 174.090 0.068 0.000 1.275 89 c CA 0.262 56.619 56.329 0.046 0.000 1.727 89 c CB -0.656 41.872 42.510 0.031 0.000 2.010 89 c HN 0.438 nan 8.230 nan 0.000 0.486 90 I N 0.602 121.207 120.570 0.058 0.000 2.335 90 I HA -0.215 3.944 4.170 -0.017 0.000 0.251 90 I C 2.714 178.937 176.117 0.176 0.000 1.129 90 I CA 1.412 62.781 61.300 0.116 0.000 1.402 90 I CB -0.463 37.562 38.000 0.042 0.000 1.069 90 I HN 0.364 nan 8.210 nan 0.000 0.424 91 R N 0.817 121.366 120.500 0.082 0.000 2.148 91 R HA -0.110 4.220 4.340 -0.017 0.000 0.227 91 R C 2.073 178.400 176.300 0.045 0.000 1.103 91 R CA 0.841 56.969 56.100 0.047 0.000 0.983 91 R CB -0.222 30.087 30.300 0.014 0.000 0.874 91 R HN 0.387 nan 8.270 nan 0.000 0.451 92 K N 0.141 120.575 120.400 0.056 0.000 2.280 92 K HA -0.045 4.264 4.320 -0.017 0.000 0.202 92 K C 1.306 177.927 176.600 0.035 0.000 1.047 92 K CA 0.904 57.212 56.287 0.035 0.000 0.942 92 K CB 0.059 32.577 32.500 0.030 0.000 0.739 92 K HN 0.166 nan 8.250 nan 0.000 0.457 93 G N -0.089 108.765 108.800 0.090 0.000 2.702 93 G HA2 0.149 4.099 3.960 -0.017 0.000 0.254 93 G HA3 0.149 4.099 3.960 -0.017 0.000 0.254 93 G C -0.903 173.916 174.900 -0.135 0.000 1.380 93 G CA -0.516 44.589 45.100 0.009 0.000 1.042 93 G HN 0.023 nan 8.290 nan 0.000 0.557 94 S N -0.107 115.314 115.700 -0.465 0.000 2.080 94 S HA 0.455 4.914 4.470 -0.017 0.000 0.162 94 S C -1.458 172.818 174.600 -0.542 0.000 1.618 94 S CA -0.756 57.200 58.200 -0.407 0.000 1.200 94 S CB -0.414 62.566 63.200 -0.367 0.000 1.135 94 S HN 0.372 nan 8.310 nan 0.000 0.455 95 W N 1.125 122.415 121.300 -0.017 0.000 2.781 95 W HA 0.470 5.120 4.660 -0.017 0.000 0.345 95 W C 0.017 176.538 176.519 0.002 0.000 1.085 95 W CA -0.952 56.396 57.345 0.005 0.000 1.198 95 W CB 1.437 30.899 29.460 0.003 0.000 1.423 95 W HN 0.102 nan 8.180 nan 0.000 0.532 96 T N 3.187 117.945 114.554 0.340 0.000 2.771 96 T HA 0.419 4.758 4.350 -0.017 0.000 0.291 96 T C -0.057 174.771 174.700 0.213 0.000 0.954 96 T CA -0.427 61.793 62.100 0.200 0.000 1.045 96 T CB 0.314 69.290 68.868 0.179 0.000 0.917 96 T HN 0.099 nan 8.240 nan 0.000 0.484 97 I N 3.963 124.575 120.570 0.071 0.000 2.441 97 I HA 0.308 4.468 4.170 -0.017 0.000 0.287 97 I C 0.632 176.820 176.117 0.119 0.000 1.049 97 I CA -0.394 60.946 61.300 0.067 0.000 1.381 97 I CB 0.507 38.461 38.000 -0.076 0.000 1.409 97 I HN 0.234 nan 8.210 nan 0.000 0.523 98 R N 7.108 127.718 120.500 0.184 0.000 2.513 98 R HA 0.576 4.905 4.340 -0.017 0.000 0.301 98 R C -1.160 175.244 176.300 0.172 0.000 0.968 98 R CA -0.857 55.344 56.100 0.168 0.000 0.872 98 R CB 1.851 32.272 30.300 0.201 0.000 1.177 98 R HN 0.546 nan 8.270 nan 0.000 0.444 99 L N 2.848 124.165 121.223 0.157 0.000 2.295 99 L HA 0.582 4.911 4.340 -0.017 0.000 0.285 99 L C 0.443 177.388 176.870 0.126 0.000 1.035 99 L CA -0.620 54.307 54.840 0.146 0.000 0.806 99 L CB 1.382 43.533 42.059 0.154 0.000 1.214 99 L HN 0.301 nan 8.230 nan 0.000 0.426 100 R N 1.259 121.834 120.500 0.125 0.000 2.532 100 R HA 0.412 4.742 4.340 -0.017 0.000 0.297 100 R C -0.155 176.209 176.300 0.106 0.000 0.984 100 R CA -0.164 56.013 56.100 0.129 0.000 0.884 100 R CB 2.156 32.550 30.300 0.158 0.000 1.182 100 R HN 0.749 nan 8.270 nan 0.000 0.442 101 S N 1.706 117.471 115.700 0.108 0.000 2.860 101 S HA 0.189 4.649 4.470 -0.017 0.000 0.181 101 S C 1.316 175.968 174.600 0.087 0.000 0.763 101 S CA 0.653 58.908 58.200 0.092 0.000 0.829 101 S CB 0.051 63.314 63.200 0.106 0.000 0.793 101 S HN 0.743 nan 8.310 nan 0.000 0.614 102 G N -1.078 107.788 108.800 0.110 0.000 2.887 102 G HA2 0.406 4.356 3.960 -0.017 0.000 0.211 102 G HA3 0.406 4.356 3.960 -0.017 0.000 0.211 102 G C 1.033 176.029 174.900 0.160 0.000 1.152 102 G CA 0.467 45.647 45.100 0.133 0.000 0.769 102 G HN 1.466 nan 8.290 nan 0.000 0.541 103 G N -0.057 108.838 108.800 0.159 0.000 2.160 103 G HA2 -0.288 3.662 3.960 -0.017 0.000 0.251 103 G HA3 -0.288 3.662 3.960 -0.017 0.000 0.251 103 G C 0.778 175.775 174.900 0.162 0.000 1.008 103 G CA 0.520 45.719 45.100 0.165 0.000 0.724 103 G HN 0.564 nan 8.290 nan 0.000 0.514 104 H N 0.032 119.192 119.070 0.151 0.000 2.547 104 H HA 0.191 4.737 4.556 -0.017 0.000 0.266 104 H C 1.821 177.242 175.328 0.154 0.000 0.988 104 H CA 0.848 57.007 56.048 0.185 0.000 1.147 104 H CB 0.295 30.134 29.762 0.128 0.000 1.365 104 H HN 0.471 nan 8.280 nan 0.000 0.589 105 S N 1.039 116.820 115.700 0.136 0.000 2.784 105 S HA -0.156 4.303 4.470 -0.017 0.000 0.322 105 S C 1.078 175.729 174.600 0.085 0.000 1.234 105 S CA -0.351 57.831 58.200 -0.031 0.000 1.064 105 S CB 0.054 63.161 63.200 -0.155 0.000 0.787 105 S HN 0.215 nan 8.310 nan 0.000 0.506 106 Y N 2.880 123.189 120.300 0.015 0.000 2.333 106 Y HA -0.002 4.537 4.550 -0.018 0.000 0.290 106 Y C 2.142 178.015 175.900 -0.045 0.000 1.144 106 Y CA 0.799 58.909 58.100 0.016 0.000 1.228 106 Y CB -0.132 38.345 38.460 0.028 0.000 0.985 106 Y HN 0.680 nan 8.280 nan 0.000 0.542 107 E N -1.157 119.004 120.200 -0.064 0.000 2.548 107 E HA 0.216 4.555 4.350 -0.017 0.000 0.206 107 E C 1.371 177.313 176.600 -1.096 0.000 1.005 107 E CA 0.481 56.669 56.400 -0.353 0.000 0.951 107 E CB 0.209 29.784 29.700 -0.209 0.000 1.035 107 E HN 0.392 nan 8.360 nan 0.000 0.470 108 G N 1.966 110.185 108.800 -0.968 0.000 2.225 108 G HA2 -0.300 3.650 3.960 -0.017 0.000 0.267 108 G HA3 -0.300 3.650 3.960 -0.017 0.000 0.267 108 G C 0.870 175.055 174.900 -1.192 0.000 1.024 108 G CA 0.482 44.794 45.100 -1.312 0.000 0.784 108 G HN 0.370 nan 8.290 nan 0.000 0.507 109 L N 0.697 121.487 121.223 -0.722 0.000 2.552 109 L HA 0.050 4.379 4.340 -0.017 0.000 0.227 109 L C 2.607 179.224 176.870 -0.422 0.000 1.146 109 L CA 1.284 55.793 54.840 -0.552 0.000 0.858 109 L CB -0.125 41.642 42.059 -0.487 0.000 0.969 109 L HN 0.498 nan 8.230 nan 0.000 0.451 110 S N -0.883 114.597 115.700 -0.367 0.000 2.558 110 S HA -0.072 4.388 4.470 -0.017 0.000 0.217 110 S C 0.948 175.572 174.600 0.039 0.000 0.975 110 S CA 0.008 58.156 58.200 -0.087 0.000 0.912 110 S CB -0.136 63.118 63.200 0.090 0.000 0.776 110 S HN 0.626 nan 8.310 nan 0.000 0.526 111 Y N 0.131 120.388 120.300 -0.071 0.000 2.888 111 Y HA 0.473 5.013 4.550 -0.017 0.000 0.260 111 Y C -0.038 175.864 175.900 0.005 0.000 1.113 111 Y CA -0.615 57.518 58.100 0.055 0.000 1.237 111 Y CB -0.428 38.068 38.460 0.060 0.000 1.307 111 Y HN 0.233 nan 8.280 nan 0.000 0.580 112 T N -1.682 112.573 114.554 -0.499 0.000 2.906 112 T HA 0.783 5.123 4.350 -0.017 0.000 0.295 112 T C -0.690 173.493 174.700 -0.862 0.000 1.075 112 T CA -0.635 61.133 62.100 -0.553 0.000 1.005 112 T CB 2.136 70.769 68.868 -0.391 0.000 1.136 112 T HN 0.420 nan 8.240 nan 0.000 0.498 113 S N -0.156 115.057 115.700 -0.813 0.000 2.556 113 S HA 0.348 4.808 4.470 -0.017 0.000 0.280 113 S C -0.616 173.887 174.600 -0.161 0.000 1.141 113 S CA -0.579 57.296 58.200 -0.543 0.000 0.883 113 S CB 1.607 64.342 63.200 -0.774 0.000 1.103 113 S HN 0.704 nan 8.310 nan 0.000 0.453 114 D N 1.863 122.232 120.400 -0.053 0.000 2.269 114 D HA 0.094 4.724 4.640 -0.017 0.000 0.208 114 D C 1.124 177.474 176.300 0.083 0.000 0.963 114 D CA 1.385 55.403 54.000 0.030 0.000 0.864 114 D CB 0.077 40.891 40.800 0.024 0.000 0.936 114 D HN 0.731 nan 8.370 nan 0.000 0.505 115 T N -1.751 112.863 114.554 0.101 0.000 2.929 115 T HA 0.531 4.870 4.350 -0.017 0.000 0.284 115 T C -2.810 172.059 174.700 0.283 0.000 1.014 115 T CA -2.277 59.909 62.100 0.143 0.000 1.051 115 T CB 1.928 70.863 68.868 0.112 0.000 1.028 115 T HN -0.318 nan 8.240 nan 0.000 0.485 116 P HA 0.233 nan 4.420 nan 0.000 0.262 116 P C -0.820 176.815 177.300 0.558 0.000 1.182 116 P CA 0.018 63.333 63.100 0.359 0.000 0.761 116 P CB -0.151 31.670 31.700 0.202 0.000 0.795 117 F N 1.804 121.933 119.950 0.299 0.000 2.613 117 F HA 0.727 5.243 4.527 -0.018 0.000 0.314 117 F C -1.183 174.674 175.800 0.095 0.000 1.075 117 F CA -1.469 56.671 58.000 0.233 0.000 0.945 117 F CB 1.216 40.297 39.000 0.137 0.000 1.310 117 F HN -0.044 nan 8.300 nan 0.000 0.467 118 I N 3.518 124.132 120.570 0.074 0.000 2.378 118 I HA 0.331 4.491 4.170 -0.017 0.000 0.291 118 I C -0.900 175.255 176.117 0.064 0.000 0.992 118 I CA -0.777 60.427 61.300 -0.160 0.000 1.154 118 I CB 1.538 39.335 38.000 -0.339 0.000 1.315 118 I HN 0.629 nan 8.210 nan 0.000 0.448 119 L N 8.269 129.516 121.223 0.040 0.000 2.260 119 L HA 0.473 4.803 4.340 -0.017 0.000 0.289 119 L C -0.368 176.543 176.870 0.068 0.000 1.057 119 L CA 0.168 55.091 54.840 0.139 0.000 0.811 119 L CB 0.289 42.437 42.059 0.149 0.000 1.184 119 L HN 0.352 nan 8.230 nan 0.000 0.429 120 I N 5.176 125.800 120.570 0.089 0.000 2.287 120 I HA 0.217 4.376 4.170 -0.017 0.000 0.290 120 I C -0.193 175.966 176.117 0.070 0.000 1.069 120 I CA -0.320 61.018 61.300 0.064 0.000 1.237 120 I CB 0.683 38.733 38.000 0.083 0.000 1.418 120 I HN 0.548 nan 8.210 nan 0.000 0.481 121 D N 7.087 127.509 120.400 0.038 0.000 2.249 121 D HA 0.227 4.857 4.640 -0.017 0.000 0.246 121 D C 0.404 176.723 176.300 0.031 0.000 1.114 121 D CA -0.239 53.784 54.000 0.038 0.000 0.854 121 D CB 1.685 42.489 40.800 0.006 0.000 1.132 121 D HN 0.455 nan 8.370 nan 0.000 0.461 122 L N 4.646 125.898 121.223 0.050 0.000 2.685 122 L HA 0.087 4.416 4.340 -0.017 0.000 0.233 122 L C 2.235 179.127 176.870 0.036 0.000 1.173 122 L CA -0.129 54.739 54.840 0.046 0.000 0.961 122 L CB -0.293 41.799 42.059 0.054 0.000 1.217 122 L HN 0.474 nan 8.230 nan 0.000 0.478 123 M N -2.148 117.476 119.600 0.039 0.000 2.358 123 M HA -0.090 4.379 4.480 -0.017 0.000 0.264 123 M C 1.059 177.379 176.300 0.033 0.000 1.064 123 M CA 1.642 56.968 55.300 0.043 0.000 1.093 123 M CB -0.386 32.279 32.600 0.108 0.000 1.401 123 M HN 0.117 nan 8.290 nan 0.000 0.440 124 N N 1.410 120.126 118.700 0.027 0.000 2.467 124 N HA 0.197 4.927 4.740 -0.017 0.000 0.184 124 N C 0.300 175.829 175.510 0.030 0.000 1.106 124 N CA 0.618 53.683 53.050 0.025 0.000 0.892 124 N CB 0.055 38.549 38.487 0.011 0.000 0.969 124 N HN 0.459 nan 8.380 nan 0.000 0.454 125 L N 2.343 123.585 121.223 0.032 0.000 2.598 125 L HA 0.215 4.544 4.340 -0.017 0.000 0.241 125 L C 0.309 177.174 176.870 -0.008 0.000 1.244 125 L CA -0.284 54.575 54.840 0.032 0.000 1.198 125 L CB -0.301 41.789 42.059 0.052 0.000 1.448 125 L HN 0.064 nan 8.230 nan 0.000 0.406 126 N N 0.367 119.065 118.700 -0.004 0.000 2.416 126 N HA 0.072 4.801 4.740 -0.017 0.000 0.267 126 N C 0.082 175.588 175.510 -0.007 0.000 1.294 126 N CA -0.513 52.527 53.050 -0.017 0.000 0.891 126 N CB 0.318 38.787 38.487 -0.030 0.000 1.238 126 N HN 0.249 nan 8.380 nan 0.000 0.508 127 R N 0.002 120.501 120.500 -0.001 0.000 2.390 127 R HA 0.466 4.796 4.340 -0.017 0.000 0.291 127 R C -0.655 175.657 176.300 0.020 0.000 1.070 127 R CA -0.382 55.728 56.100 0.016 0.000 1.014 127 R CB 1.468 31.784 30.300 0.027 0.000 1.007 127 R HN -0.047 nan 8.270 nan 0.000 0.466 128 V N 2.278 122.213 119.914 0.035 0.000 2.448 128 V HA 0.283 4.393 4.120 -0.017 0.000 0.295 128 V C -0.523 175.606 176.094 0.059 0.000 1.025 128 V CA -0.570 61.756 62.300 0.044 0.000 0.859 128 V CB 2.023 33.867 31.823 0.035 0.000 0.988 128 V HN 0.761 nan 8.190 nan 0.000 0.431 129 S N 5.907 121.659 115.700 0.086 0.000 2.669 129 S HA 0.617 5.077 4.470 -0.017 0.000 0.315 129 S C -0.397 174.254 174.600 0.085 0.000 1.106 129 S CA -0.319 57.938 58.200 0.095 0.000 1.107 129 S CB 0.774 64.054 63.200 0.132 0.000 0.990 129 S HN 0.537 nan 8.310 nan 0.000 0.471 130 I N 2.750 123.349 120.570 0.047 0.000 2.353 130 I HA 0.276 4.436 4.170 -0.017 0.000 0.293 130 I C -0.201 175.931 176.117 0.026 0.000 0.992 130 I CA -0.382 60.930 61.300 0.019 0.000 1.268 130 I CB 1.027 39.028 38.000 0.001 0.000 1.387 130 I HN 0.431 nan 8.210 nan 0.000 0.478 131 D N 6.960 127.369 120.400 0.016 0.000 2.460 131 D HA 0.247 4.876 4.640 -0.017 0.000 0.232 131 D C 0.617 176.914 176.300 -0.005 0.000 1.079 131 D CA -0.273 53.739 54.000 0.020 0.000 0.864 131 D CB 1.173 41.996 40.800 0.038 0.000 1.048 131 D HN 0.427 nan 8.370 nan 0.000 0.523 132 L N 2.454 123.674 121.223 -0.005 0.000 2.376 132 L HA -0.037 4.293 4.340 -0.017 0.000 0.219 132 L C 1.847 178.709 176.870 -0.014 0.000 1.133 132 L CA 0.566 55.396 54.840 -0.016 0.000 0.816 132 L CB 0.099 42.149 42.059 -0.014 0.000 0.933 132 L HN 0.320 nan 8.230 nan 0.000 0.449 133 E N -0.177 120.020 120.200 -0.005 0.000 2.158 133 E HA -0.098 4.241 4.350 -0.017 0.000 0.191 133 E C 2.201 178.797 176.600 -0.007 0.000 0.982 133 E CA 1.399 57.796 56.400 -0.004 0.000 0.823 133 E CB 0.006 29.709 29.700 0.004 0.000 0.766 133 E HN 0.487 nan 8.360 nan 0.000 0.468 134 S N -0.481 115.214 115.700 -0.008 0.000 2.523 134 S HA 0.092 4.551 4.470 -0.017 0.000 0.217 134 S C 0.307 174.887 174.600 -0.033 0.000 0.996 134 S CA -0.204 57.986 58.200 -0.015 0.000 0.921 134 S CB 0.157 63.352 63.200 -0.008 0.000 0.829 134 S HN 0.142 nan 8.310 nan 0.000 0.495 135 E N 1.768 121.945 120.200 -0.038 0.000 2.252 135 E HA -0.158 4.181 4.350 -0.017 0.000 0.218 135 E C -0.266 176.287 176.600 -0.078 0.000 1.253 135 E CA 0.769 57.134 56.400 -0.059 0.000 0.705 135 E CB -2.326 27.337 29.700 -0.061 0.000 1.172 135 E HN 0.857 nan 8.360 nan 0.000 0.369 136 T N -3.101 111.404 114.554 -0.082 0.000 2.887 136 T HA 0.857 5.196 4.350 -0.017 0.000 0.292 136 T C -0.537 174.085 174.700 -0.130 0.000 1.087 136 T CA -0.421 61.601 62.100 -0.129 0.000 1.009 136 T CB 2.589 71.369 68.868 -0.147 0.000 1.203 136 T HN 0.476 nan 8.240 nan 0.000 0.518 137 A N -0.005 122.695 122.820 -0.200 0.000 2.486 137 A HA 0.663 4.973 4.320 -0.017 0.000 0.300 137 A C -1.976 175.495 177.584 -0.188 0.000 1.048 137 A CA -1.075 50.883 52.037 -0.132 0.000 0.696 137 A CB 1.048 19.967 19.000 -0.134 0.000 1.278 137 A HN 0.826 nan 8.150 nan 0.000 0.405 138 W N 1.527 122.805 121.300 -0.037 0.000 2.361 138 W HA 0.549 5.197 4.660 -0.021 0.000 0.309 138 W C -0.572 175.917 176.519 -0.049 0.000 1.122 138 W CA -0.231 57.099 57.345 -0.026 0.000 1.208 138 W CB 2.038 31.492 29.460 -0.011 0.000 1.246 138 W HN 0.443 nan 8.180 nan 0.000 0.490 139 V N 4.136 124.178 119.914 0.213 0.000 2.409 139 V HA 0.164 4.274 4.120 -0.017 0.000 0.290 139 V C 0.018 176.141 176.094 0.049 0.000 1.017 139 V CA -1.298 61.061 62.300 0.099 0.000 0.841 139 V CB 0.941 32.800 31.823 0.061 0.000 1.003 139 V HN 0.479 nan 8.190 nan 0.000 0.426 140 E N 2.004 122.161 120.200 -0.072 0.000 2.415 140 E HA 0.032 4.372 4.350 -0.017 0.000 0.262 140 E C 1.017 177.549 176.600 -0.113 0.000 1.038 140 E CA 0.459 56.707 56.400 -0.253 0.000 0.921 140 E CB 0.810 30.366 29.700 -0.238 0.000 0.950 140 E HN 0.859 nan 8.360 nan 0.000 0.438 141 S N 1.586 117.186 115.700 -0.166 0.000 2.561 141 S HA -0.035 4.425 4.470 -0.017 0.000 0.225 141 S C 1.633 176.255 174.600 0.037 0.000 0.977 141 S CA 0.351 58.541 58.200 -0.016 0.000 0.926 141 S CB 0.205 63.344 63.200 -0.101 0.000 0.769 141 S HN 0.622 nan 8.310 nan 0.000 0.533 142 G N 0.933 109.732 108.800 -0.001 0.000 2.813 142 G HA2 0.172 4.121 3.960 -0.017 0.000 0.209 142 G HA3 0.172 4.121 3.960 -0.017 0.000 0.209 142 G C 0.327 175.221 174.900 -0.009 0.000 1.150 142 G CA -0.247 44.859 45.100 0.011 0.000 0.785 142 G HN 0.503 nan 8.290 nan 0.000 0.535 143 S N 0.973 116.667 115.700 -0.010 0.000 2.549 143 S HA 0.359 4.819 4.470 -0.017 0.000 0.283 143 S C 0.833 175.400 174.600 -0.055 0.000 1.320 143 S CA -0.089 58.090 58.200 -0.036 0.000 1.058 143 S CB 1.026 64.212 63.200 -0.023 0.000 0.882 143 S HN 0.523 nan 8.310 nan 0.000 0.498 144 T N 0.818 115.308 114.554 -0.108 0.000 2.847 144 T HA 0.410 4.749 4.350 -0.017 0.000 0.279 144 T C 1.503 176.066 174.700 -0.229 0.000 0.984 144 T CA -0.936 61.072 62.100 -0.154 0.000 0.988 144 T CB 0.284 69.045 68.868 -0.179 0.000 1.040 144 T HN 0.397 nan 8.240 nan 0.000 0.528 145 L N 0.922 121.945 121.223 -0.333 0.000 2.042 145 L HA 0.030 4.360 4.340 -0.017 0.000 0.210 145 L C 3.039 179.491 176.870 -0.697 0.000 1.076 145 L CA 1.727 56.214 54.840 -0.589 0.000 0.749 145 L CB -1.292 40.395 42.059 -0.620 0.000 0.893 145 L HN 0.996 nan 8.230 nan 0.000 0.432 146 G N -0.279 108.302 108.800 -0.365 0.000 2.418 146 G HA2 -0.238 3.711 3.960 -0.017 0.000 0.217 146 G HA3 -0.238 3.711 3.960 -0.017 0.000 0.217 146 G C 1.419 176.286 174.900 -0.055 0.000 1.158 146 G CA 0.606 45.619 45.100 -0.145 0.000 0.771 146 G HN 0.413 nan 8.290 nan 0.000 0.545 147 E N -0.333 119.805 120.200 -0.103 0.000 2.085 147 E HA -0.127 4.212 4.350 -0.017 0.000 0.194 147 E C 2.372 178.997 176.600 0.041 0.000 0.994 147 E CA 0.869 57.252 56.400 -0.028 0.000 0.801 147 E CB -0.186 29.472 29.700 -0.071 0.000 0.743 147 E HN 0.348 nan 8.360 nan 0.000 0.453 148 L N 0.311 121.499 121.223 -0.058 0.000 2.017 148 L HA -0.199 4.130 4.340 -0.017 0.000 0.208 148 L C 2.001 178.971 176.870 0.167 0.000 1.073 148 L CA 1.772 56.603 54.840 -0.016 0.000 0.745 148 L CB -0.642 41.335 42.059 -0.137 0.000 0.894 148 L HN 0.094 nan 8.230 nan 0.000 0.432 149 Y N -1.378 119.032 120.300 0.183 0.000 2.181 149 Y HA -0.270 4.267 4.550 -0.022 0.000 0.288 149 Y C 2.606 178.609 175.900 0.172 0.000 1.146 149 Y CA 1.430 59.668 58.100 0.229 0.000 1.164 149 Y CB -1.539 36.974 38.460 0.089 0.000 0.982 149 Y HN 0.343 nan 8.280 nan 0.000 0.515 150 Y N 0.344 120.752 120.300 0.180 0.000 2.145 150 Y HA -0.186 4.370 4.550 0.011 0.000 0.286 150 Y C 2.492 178.452 175.900 0.100 0.000 1.145 150 Y CA 1.507 59.667 58.100 0.099 0.000 1.148 150 Y CB -0.579 37.908 38.460 0.045 0.000 0.981 150 Y HN 0.034 nan 8.280 nan 0.000 0.507 151 A N 0.376 123.307 122.820 0.186 0.000 1.902 151 A HA -0.182 4.128 4.320 -0.017 0.000 0.217 151 A C 2.265 179.868 177.584 0.031 0.000 1.181 151 A CA 2.040 54.126 52.037 0.082 0.000 0.623 151 A CB -1.123 17.941 19.000 0.106 0.000 0.818 151 A HN 0.589 nan 8.150 nan 0.000 0.443 152 I N 0.150 120.789 120.570 0.115 0.000 2.202 152 I HA -0.238 3.922 4.170 -0.017 0.000 0.242 152 I C 2.916 179.093 176.117 0.100 0.000 1.091 152 I CA 1.855 63.225 61.300 0.117 0.000 1.368 152 I CB -0.732 37.391 38.000 0.206 0.000 1.058 152 I HN 0.546 nan 8.210 nan 0.000 0.410 153 T N -1.607 113.037 114.554 0.151 0.000 2.759 153 T HA -0.175 4.165 4.350 -0.017 0.000 0.269 153 T C 1.722 176.379 174.700 -0.072 0.000 1.042 153 T CA 1.116 63.260 62.100 0.073 0.000 1.140 153 T CB -0.336 68.543 68.868 0.019 0.000 0.864 153 T HN 0.259 nan 8.240 nan 0.000 0.455 154 E N 1.574 121.659 120.200 -0.191 0.000 2.150 154 E HA -0.077 4.262 4.350 -0.017 0.000 0.193 154 E C 2.663 179.209 176.600 -0.091 0.000 0.985 154 E CA 1.481 57.758 56.400 -0.205 0.000 0.814 154 E CB -0.275 29.238 29.700 -0.313 0.000 0.752 154 E HN 0.840 nan 8.360 nan 0.000 0.466 155 S N -0.912 114.755 115.700 -0.056 0.000 2.458 155 S HA 0.060 4.519 4.470 -0.017 0.000 0.223 155 S C 1.048 175.631 174.600 -0.028 0.000 1.019 155 S CA 0.131 58.312 58.200 -0.032 0.000 0.937 155 S CB 0.478 63.666 63.200 -0.021 0.000 0.788 155 S HN 0.020 nan 8.310 nan 0.000 0.511 156 S N 0.033 115.719 115.700 -0.024 0.000 2.535 156 S HA 0.470 4.930 4.470 -0.017 0.000 0.272 156 S C 0.179 174.771 174.600 -0.013 0.000 1.149 156 S CA -0.040 58.145 58.200 -0.026 0.000 0.888 156 S CB 1.422 64.597 63.200 -0.041 0.000 1.110 156 S HN 0.443 nan 8.310 nan 0.000 0.463 157 S N 2.863 118.552 115.700 -0.018 0.000 2.575 157 S HA 0.303 4.762 4.470 -0.017 0.000 0.215 157 S C 0.655 175.239 174.600 -0.028 0.000 0.966 157 S CA -0.124 58.072 58.200 -0.007 0.000 0.911 157 S CB -0.237 62.954 63.200 -0.015 0.000 0.780 157 S HN 0.661 nan 8.310 nan 0.000 0.514 158 K N 0.593 120.959 120.400 -0.056 0.000 2.469 158 K HA 0.440 4.750 4.320 -0.017 0.000 0.204 158 K C -0.740 175.780 176.600 -0.133 0.000 1.047 158 K CA -0.046 56.188 56.287 -0.088 0.000 1.072 158 K CB 0.674 33.133 32.500 -0.068 0.000 0.863 158 K HN 0.314 nan 8.250 nan 0.000 0.530 159 L N -0.168 120.952 121.223 -0.171 0.000 2.370 159 L HA 0.649 4.979 4.340 -0.017 0.000 0.266 159 L C 0.157 176.687 176.870 -0.566 0.000 1.002 159 L CA -0.977 53.697 54.840 -0.276 0.000 0.818 159 L CB 2.130 44.078 42.059 -0.186 0.000 1.325 159 L HN 0.051 nan 8.230 nan 0.000 0.418 160 G N 0.533 108.828 108.800 -0.842 0.000 2.827 160 G HA2 0.712 4.662 3.960 -0.017 0.000 0.296 160 G HA3 0.712 4.662 3.960 -0.017 0.000 0.296 160 G C -2.321 172.114 174.900 -0.775 0.000 1.362 160 G CA -0.323 43.735 45.100 -1.737 0.000 0.809 160 G HN 0.286 nan 8.290 nan 0.000 0.522 161 F N -0.467 119.030 119.950 -0.755 0.000 2.641 161 F HA 0.653 5.169 4.527 -0.019 0.000 0.308 161 F C -0.351 175.480 175.800 0.053 0.000 1.105 161 F CA -0.716 57.158 58.000 -0.210 0.000 0.964 161 F CB 2.456 41.469 39.000 0.023 0.000 1.294 161 F HN 0.527 nan 8.300 nan 0.000 0.442 162 T N 4.103 118.145 114.554 -0.853 0.000 2.727 162 T HA 0.821 5.161 4.350 -0.017 0.000 0.298 162 T C -0.557 173.922 174.700 -0.367 0.000 0.942 162 T CA 0.489 62.334 62.100 -0.424 0.000 0.997 162 T CB -0.260 68.390 68.868 -0.364 0.000 0.917 162 T HN 1.030 nan 8.240 nan 0.000 0.487 163 A N 3.764 126.693 122.820 0.182 0.000 2.594 163 A HA 0.899 5.209 4.320 -0.017 0.000 0.307 163 A C 0.400 178.218 177.584 0.391 0.000 1.203 163 A CA -0.450 51.796 52.037 0.349 0.000 0.644 163 A CB 0.272 19.571 19.000 0.499 0.000 1.349 163 A HN 1.031 nan 8.150 nan 0.000 0.510 164 G N -1.876 107.167 108.800 0.406 0.000 2.684 164 G HA2 0.275 4.224 3.960 -0.017 0.000 0.255 164 G HA3 0.275 4.224 3.960 -0.017 0.000 0.255 164 G C 0.274 175.278 174.900 0.172 0.000 1.219 164 G CA 0.568 45.817 45.100 0.250 0.000 0.901 164 G HN 1.118 nan 8.290 nan 0.000 0.548 165 W N -0.096 121.167 121.300 -0.063 0.000 2.539 165 W HA 0.131 4.782 4.660 -0.015 0.000 0.281 165 W C 0.980 177.373 176.519 -0.209 0.000 1.220 165 W CA -0.114 57.135 57.345 -0.161 0.000 1.332 165 W CB -0.018 29.395 29.460 -0.078 0.000 1.095 165 W HN 0.353 nan 8.180 nan 0.000 0.571 166 C N 4.355 123.565 119.300 -0.150 0.000 2.555 166 C HA 0.116 4.565 4.460 -0.017 0.000 0.385 166 C C -0.368 174.241 174.990 -0.634 0.000 1.296 166 C CA -1.042 57.595 59.018 -0.636 0.000 1.757 166 C CB 0.562 28.038 27.740 -0.439 0.000 2.445 166 C HN 0.266 nan 8.230 nan 0.000 0.571 167 P HA -0.069 nan 4.420 nan 0.000 0.223 167 P C 1.215 178.298 177.300 -0.361 0.000 1.151 167 P CA 1.501 64.340 63.100 -0.435 0.000 0.787 167 P CB -0.130 31.352 31.700 -0.363 0.000 0.788 168 T N -3.715 110.620 114.554 -0.366 0.000 3.107 168 T HA 0.145 4.485 4.350 -0.017 0.000 0.249 168 T C 0.772 175.401 174.700 -0.119 0.000 1.096 168 T CA -0.241 61.772 62.100 -0.144 0.000 1.012 168 T CB -0.803 68.113 68.868 0.079 0.000 0.977 168 T HN -0.221 nan 8.240 nan 0.000 0.527 169 V N 2.224 121.882 119.914 -0.427 0.000 2.655 169 V HA 0.480 4.589 4.120 -0.017 0.000 0.300 169 V C 1.324 177.310 176.094 -0.180 0.000 1.044 169 V CA -0.242 61.814 62.300 -0.407 0.000 1.095 169 V CB 0.572 32.061 31.823 -0.556 0.000 0.952 169 V HN 0.617 nan 8.190 nan 0.000 0.485 170 G N 2.421 111.208 108.800 -0.022 0.000 2.415 170 G HA2 0.373 4.322 3.960 -0.017 0.000 0.269 170 G HA3 0.373 4.322 3.960 -0.017 0.000 0.269 170 G C 1.044 175.978 174.900 0.057 0.000 1.209 170 G CA 0.311 45.421 45.100 0.016 0.000 0.835 170 G HN 0.920 nan 8.290 nan 0.000 0.534 171 T N -0.105 114.493 114.554 0.073 0.000 2.915 171 T HA -0.052 4.287 4.350 -0.017 0.000 0.269 171 T C 2.381 177.290 174.700 0.348 0.000 1.071 171 T CA 1.436 63.631 62.100 0.158 0.000 1.132 171 T CB -0.271 68.692 68.868 0.159 0.000 0.878 171 T HN 0.568 nan 8.240 nan 0.000 0.479 172 G N 1.555 110.544 108.800 0.315 0.000 2.480 172 G HA2 0.041 3.991 3.960 -0.017 0.000 0.216 172 G HA3 0.041 3.991 3.960 -0.017 0.000 0.216 172 G C 1.691 176.784 174.900 0.322 0.000 1.200 172 G CA 0.678 45.986 45.100 0.346 0.000 0.782 172 G HN 0.635 nan 8.290 nan 0.000 0.554 173 G N -0.585 108.342 108.800 0.211 0.000 2.396 173 G HA2 -0.117 3.832 3.960 -0.017 0.000 0.214 173 G HA3 -0.117 3.832 3.960 -0.017 0.000 0.214 173 G C 1.581 176.568 174.900 0.144 0.000 1.166 173 G CA 1.268 46.462 45.100 0.156 0.000 0.793 173 G HN 0.568 nan 8.290 nan 0.000 0.533 174 H N 0.701 119.792 119.070 0.035 0.000 2.299 174 H HA 0.091 4.637 4.556 -0.017 0.000 0.302 174 H C 2.477 177.776 175.328 -0.049 0.000 1.078 174 H CA 1.579 57.617 56.048 -0.017 0.000 1.323 174 H CB -0.171 29.573 29.762 -0.030 0.000 1.381 174 H HN 0.287 nan 8.280 nan 0.000 0.498 175 I N -0.435 120.068 120.570 -0.112 0.000 2.394 175 I HA -0.213 3.946 4.170 -0.017 0.000 0.251 175 I C 2.248 178.161 176.117 -0.341 0.000 1.136 175 I CA 1.080 62.096 61.300 -0.473 0.000 1.425 175 I CB -0.290 37.031 38.000 -1.132 0.000 1.079 175 I HN 0.228 nan 8.210 nan 0.000 0.425 176 S N 0.762 116.496 115.700 0.057 0.000 2.419 176 S HA -0.112 4.348 4.470 -0.017 0.000 0.235 176 S C 1.883 176.553 174.600 0.118 0.000 1.019 176 S CA 1.421 59.763 58.200 0.236 0.000 0.982 176 S CB -0.348 63.070 63.200 0.363 0.000 0.789 176 S HN 0.662 nan 8.310 nan 0.000 0.490 177 G N -0.701 108.120 108.800 0.034 0.000 3.126 177 G HA2 0.500 4.450 3.960 -0.017 0.000 0.224 177 G HA3 0.500 4.450 3.960 -0.017 0.000 0.224 177 G C 0.727 175.691 174.900 0.107 0.000 1.142 177 G CA 0.390 45.525 45.100 0.058 0.000 0.759 177 G HN 0.703 nan 8.290 nan 0.000 0.550 178 G N -0.611 108.161 108.800 -0.047 0.000 2.134 178 G HA2 0.402 4.351 3.960 -0.017 0.000 0.225 178 G HA3 0.402 4.351 3.960 -0.017 0.000 0.225 178 G C 0.587 175.323 174.900 -0.274 0.000 1.944 178 G CA 0.694 45.741 45.100 -0.088 0.000 1.512 178 G HN 2.013 nan 8.290 nan 0.000 0.493 179 G N -0.277 108.360 108.800 -0.271 0.000 2.826 179 G HA2 0.393 4.342 3.960 -0.017 0.000 0.623 179 G HA3 0.393 4.342 3.960 -0.017 0.000 0.623 179 G C -0.563 174.275 174.900 -0.103 0.000 1.127 179 G CA 0.346 45.110 45.100 -0.560 0.000 1.165 179 G HN 1.751 nan 8.290 nan 0.000 0.504 180 F N 2.621 122.542 119.950 -0.048 0.000 2.443 180 F HA 0.820 5.338 4.527 -0.015 0.000 0.335 180 F C 0.750 176.596 175.800 0.078 0.000 1.104 180 F CA 0.872 58.819 58.000 -0.089 0.000 1.013 180 F CB 1.738 40.624 39.000 -0.190 0.000 1.136 180 F HN 0.755 nan 8.300 nan 0.000 0.470 181 G N 4.417 112.890 108.800 -0.544 0.000 2.731 181 G HA2 0.189 4.139 3.960 -0.017 0.000 0.309 181 G HA3 0.189 4.139 3.960 -0.017 0.000 0.309 181 G C -0.142 174.502 174.900 -0.427 0.000 1.273 181 G CA -0.742 44.215 45.100 -0.238 0.000 0.798 181 G HN 0.459 nan 8.290 nan 0.000 0.509 182 M N 0.039 119.493 119.600 -0.243 0.000 2.460 182 M HA 0.161 4.631 4.480 -0.017 0.000 0.263 182 M C 1.866 177.996 176.300 -0.283 0.000 1.071 182 M CA 1.189 56.350 55.300 -0.232 0.000 1.096 182 M CB -0.631 31.799 32.600 -0.283 0.000 1.408 182 M HN 0.386 nan 8.290 nan 0.000 0.463 183 M N -1.624 117.839 119.600 -0.228 0.000 2.404 183 M HA 0.083 4.553 4.480 -0.017 0.000 0.271 183 M C 1.394 177.543 176.300 -0.251 0.000 1.128 183 M CA -0.017 55.165 55.300 -0.196 0.000 0.982 183 M CB 0.123 32.719 32.600 -0.007 0.000 1.445 183 M HN 0.009 nan 8.290 nan 0.000 0.495 184 S N 0.807 116.238 115.700 -0.449 0.000 2.447 184 S HA -0.002 4.458 4.470 -0.017 0.000 0.233 184 S C 1.796 176.181 174.600 -0.357 0.000 1.006 184 S CA 0.922 58.798 58.200 -0.540 0.000 0.957 184 S CB -0.102 62.408 63.200 -1.149 0.000 0.773 184 S HN 0.511 nan 8.310 nan 0.000 0.507 185 R N 0.842 121.187 120.500 -0.258 0.000 2.189 185 R HA 0.025 4.355 4.340 -0.017 0.000 0.223 185 R C 2.113 178.302 176.300 -0.186 0.000 1.092 185 R CA 0.955 56.978 56.100 -0.129 0.000 0.989 185 R CB -0.064 30.235 30.300 -0.001 0.000 0.876 185 R HN 0.137 nan 8.270 nan 0.000 0.457 186 K N -0.673 119.547 120.400 -0.300 0.000 2.244 186 K HA 0.004 4.313 4.320 -0.017 0.000 0.200 186 K C 0.439 176.671 176.600 -0.613 0.000 1.052 186 K CA 1.066 57.020 56.287 -0.555 0.000 0.980 186 K CB 0.401 32.405 32.500 -0.827 0.000 0.838 186 K HN 0.034 nan 8.250 nan 0.000 0.481 187 Y N -0.721 119.438 120.300 -0.234 0.000 2.610 187 Y HA 0.391 4.931 4.550 -0.017 0.000 0.254 187 Y C 0.682 176.436 175.900 -0.244 0.000 1.110 187 Y CA -0.258 57.699 58.100 -0.238 0.000 1.238 187 Y CB 1.081 39.382 38.460 -0.265 0.000 1.322 187 Y HN 0.226 nan 8.280 nan 0.000 0.547 188 G N 0.841 109.558 108.800 -0.138 0.000 2.593 188 G HA2 -0.253 3.696 3.960 -0.017 0.000 0.237 188 G HA3 -0.253 3.696 3.960 -0.017 0.000 0.237 188 G C -0.507 174.241 174.900 -0.252 0.000 1.312 188 G CA -0.465 44.529 45.100 -0.178 0.000 0.896 188 G HN 0.128 nan 8.290 nan 0.000 0.574 189 L N 0.563 121.649 121.223 -0.228 0.000 2.456 189 L HA 0.538 4.867 4.340 -0.017 0.000 0.257 189 L C 2.367 179.083 176.870 -0.257 0.000 1.162 189 L CA -0.136 54.544 54.840 -0.267 0.000 0.808 189 L CB 0.763 42.655 42.059 -0.277 0.000 1.136 189 L HN 1.120 nan 8.230 nan 0.000 0.466 190 A N 1.650 124.314 122.820 -0.260 0.000 1.892 190 A HA -0.232 4.077 4.320 -0.017 0.000 0.218 190 A C 2.260 179.766 177.584 -0.130 0.000 1.188 190 A CA 2.153 54.061 52.037 -0.215 0.000 0.631 190 A CB -0.872 18.118 19.000 -0.016 0.000 0.822 190 A HN 0.909 nan 8.150 nan 0.000 0.447 191 A N -0.497 122.193 122.820 -0.216 0.000 2.070 191 A HA -0.119 4.191 4.320 -0.017 0.000 0.220 191 A C 1.503 179.010 177.584 -0.128 0.000 1.159 191 A CA 1.625 53.512 52.037 -0.250 0.000 0.656 191 A CB -0.461 18.371 19.000 -0.280 0.000 0.800 191 A HN 0.471 nan 8.150 nan 0.000 0.453 192 D N 0.083 120.463 120.400 -0.033 0.000 2.371 192 D HA -0.035 4.595 4.640 -0.017 0.000 0.221 192 D C 0.486 176.889 176.300 0.170 0.000 0.986 192 D CA 0.568 54.671 54.000 0.172 0.000 0.899 192 D CB -0.106 40.782 40.800 0.146 0.000 0.902 192 D HN 0.459 nan 8.370 nan 0.000 0.530 193 N N 0.112 118.855 118.700 0.073 0.000 2.291 193 N HA 0.068 4.798 4.740 -0.017 0.000 0.244 193 N C -0.626 174.975 175.510 0.151 0.000 1.216 193 N CA -0.013 53.109 53.050 0.119 0.000 0.879 193 N CB 2.262 40.800 38.487 0.085 0.000 1.167 193 N HN -0.081 nan 8.380 nan 0.000 0.515 194 V N 1.900 121.867 119.914 0.089 0.000 2.407 194 V HA 0.144 4.254 4.120 -0.017 0.000 0.278 194 V C 1.405 177.634 176.094 0.225 0.000 1.037 194 V CA -0.288 62.066 62.300 0.090 0.000 0.900 194 V CB 1.696 33.525 31.823 0.009 0.000 0.983 194 V HN 0.090 nan 8.190 nan 0.000 0.459 195 V N -0.093 119.931 119.914 0.184 0.000 3.635 195 V HA 0.506 4.615 4.120 -0.017 0.000 0.266 195 V C 0.257 176.395 176.094 0.073 0.000 1.316 195 V CA 0.452 62.857 62.300 0.175 0.000 1.060 195 V CB 0.672 32.509 31.823 0.022 0.000 0.820 195 V HN 0.766 nan 8.190 nan 0.000 0.447 196 D N -0.670 119.777 120.400 0.077 0.000 2.665 196 D HA 0.805 5.435 4.640 -0.017 0.000 0.287 196 D C -1.265 175.169 176.300 0.223 0.000 1.266 196 D CA 0.527 54.522 54.000 -0.008 0.000 0.830 196 D CB 2.332 43.072 40.800 -0.099 0.000 1.356 196 D HN 0.557 nan 8.370 nan 0.000 0.437 197 A N 0.604 123.626 122.820 0.337 0.000 2.597 197 A HA 0.563 4.873 4.320 -0.017 0.000 0.292 197 A C -1.900 175.890 177.584 0.343 0.000 1.057 197 A CA -0.589 51.663 52.037 0.358 0.000 0.674 197 A CB 1.088 20.245 19.000 0.263 0.000 1.278 197 A HN 0.314 nan 8.150 nan 0.000 0.416 198 I N 1.821 122.547 120.570 0.259 0.000 2.355 198 I HA 0.439 4.598 4.170 -0.017 0.000 0.288 198 I C -0.746 175.392 176.117 0.036 0.000 0.999 198 I CA -0.383 61.008 61.300 0.153 0.000 1.163 198 I CB 0.932 39.056 38.000 0.207 0.000 1.316 198 I HN 0.605 nan 8.210 nan 0.000 0.454 199 L N 8.059 129.291 121.223 0.015 0.000 2.307 199 L HA 0.571 4.901 4.340 -0.017 0.000 0.284 199 L C -0.645 176.217 176.870 -0.013 0.000 1.023 199 L CA -0.194 54.625 54.840 -0.034 0.000 0.810 199 L CB 1.187 43.231 42.059 -0.025 0.000 1.231 199 L HN 0.231 nan 8.230 nan 0.000 0.423 200 I N 4.846 125.401 120.570 -0.026 0.000 2.312 200 I HA 0.268 4.428 4.170 -0.017 0.000 0.290 200 I C -0.018 176.099 176.117 -0.000 0.000 1.008 200 I CA -0.532 60.768 61.300 -0.001 0.000 1.226 200 I CB 0.687 38.699 38.000 0.020 0.000 1.371 200 I HN 0.677 nan 8.210 nan 0.000 0.468 201 D N 5.652 126.079 120.400 0.045 0.000 2.478 201 D HA 0.256 4.886 4.640 -0.017 0.000 0.269 201 D C 1.099 177.547 176.300 0.247 0.000 1.232 201 D CA -0.476 53.581 54.000 0.095 0.000 1.059 201 D CB 0.800 41.655 40.800 0.091 0.000 1.104 201 D HN 0.418 nan 8.370 nan 0.000 0.566 202 A N -0.221 122.811 122.820 0.353 0.000 2.076 202 A HA -0.196 4.114 4.320 -0.017 0.000 0.220 202 A C 1.471 179.150 177.584 0.157 0.000 1.160 202 A CA 1.204 53.446 52.037 0.342 0.000 0.653 202 A CB -0.680 18.460 19.000 0.234 0.000 0.801 202 A HN 0.564 nan 8.150 nan 0.000 0.455 203 N N -1.159 117.614 118.700 0.122 0.000 2.270 203 N HA 0.192 4.922 4.740 -0.017 0.000 0.198 203 N C 1.051 176.602 175.510 0.069 0.000 1.117 203 N CA 0.918 54.013 53.050 0.076 0.000 0.845 203 N CB 0.573 39.094 38.487 0.057 0.000 0.980 203 N HN 0.608 nan 8.380 nan 0.000 0.486 204 G N 0.369 109.221 108.800 0.087 0.000 2.143 204 G HA2 -0.271 3.678 3.960 -0.017 0.000 0.249 204 G HA3 -0.271 3.678 3.960 -0.017 0.000 0.249 204 G C 0.326 175.246 174.900 0.034 0.000 0.981 204 G CA 0.194 45.331 45.100 0.062 0.000 0.665 204 G HN 0.601 nan 8.290 nan 0.000 0.528 205 A N -0.239 122.604 122.820 0.038 0.000 2.483 205 A HA 0.610 4.919 4.320 -0.017 0.000 0.238 205 A C 0.576 178.162 177.584 0.004 0.000 1.070 205 A CA 0.356 52.405 52.037 0.019 0.000 0.770 205 A CB 0.249 19.265 19.000 0.027 0.000 1.008 205 A HN 0.856 nan 8.150 nan 0.000 0.497 206 I N 2.838 123.399 120.570 -0.016 0.000 2.337 206 I HA 0.240 4.399 4.170 -0.017 0.000 0.285 206 I C -0.835 175.271 176.117 -0.018 0.000 1.041 206 I CA 0.130 61.409 61.300 -0.035 0.000 1.199 206 I CB 0.476 38.429 38.000 -0.078 0.000 1.370 206 I HN 0.426 nan 8.210 nan 0.000 0.470 207 L N 6.125 127.350 121.223 0.003 0.000 2.325 207 L HA 0.427 4.757 4.340 -0.017 0.000 0.281 207 L C -0.259 176.635 176.870 0.040 0.000 1.004 207 L CA -0.930 53.921 54.840 0.019 0.000 0.823 207 L CB 1.401 43.478 42.059 0.030 0.000 1.236 207 L HN 0.529 nan 8.230 nan 0.000 0.415 208 D N 1.732 122.156 120.400 0.040 0.000 2.478 208 D HA 0.131 4.761 4.640 -0.017 0.000 0.269 208 D C 1.091 177.412 176.300 0.035 0.000 1.232 208 D CA -0.675 53.369 54.000 0.073 0.000 1.059 208 D CB 0.717 41.565 40.800 0.079 0.000 1.104 208 D HN 0.391 nan 8.370 nan 0.000 0.566 209 R N -0.865 119.617 120.500 -0.030 0.000 2.096 209 R HA -0.220 4.109 4.340 -0.017 0.000 0.240 209 R C 1.937 178.159 176.300 -0.130 0.000 1.139 209 R CA 1.604 57.576 56.100 -0.214 0.000 0.952 209 R CB -0.163 29.753 30.300 -0.640 0.000 0.854 209 R HN 0.419 nan 8.270 nan 0.000 0.436 210 Q N -0.099 119.646 119.800 -0.092 0.000 2.096 210 Q HA -0.136 4.193 4.340 -0.017 0.000 0.204 210 Q C 2.047 178.035 176.000 -0.019 0.000 0.982 210 Q CA 1.865 57.637 55.803 -0.053 0.000 0.850 210 Q CB -0.361 28.355 28.738 -0.036 0.000 0.901 210 Q HN 0.511 nan 8.270 nan 0.000 0.422 211 A N 1.275 124.091 122.820 -0.005 0.000 1.929 211 A HA -0.109 4.200 4.320 -0.017 0.000 0.216 211 A C 2.113 179.711 177.584 0.022 0.000 1.176 211 A CA 1.513 53.556 52.037 0.009 0.000 0.628 211 A CB -0.507 18.499 19.000 0.011 0.000 0.816 211 A HN 0.514 nan 8.150 nan 0.000 0.444 212 M N -2.063 117.557 119.600 0.035 0.000 2.349 212 M HA 0.366 4.836 4.480 -0.017 0.000 0.266 212 M C 1.037 177.373 176.300 0.060 0.000 1.076 212 M CA 1.006 56.340 55.300 0.057 0.000 1.126 212 M CB -0.557 32.093 32.600 0.083 0.000 1.392 212 M HN 0.780 nan 8.290 nan 0.000 0.440 213 G N 0.977 109.806 108.800 0.048 0.000 2.730 213 G HA2 -0.160 3.790 3.960 -0.017 0.000 0.686 213 G HA3 -0.160 3.790 3.960 -0.017 0.000 0.686 213 G C -0.185 174.769 174.900 0.089 0.000 1.343 213 G CA -0.201 44.926 45.100 0.046 0.000 0.826 213 G HN 0.368 nan 8.290 nan 0.000 0.582 214 E N -0.058 120.186 120.200 0.075 0.000 2.150 214 E HA -0.064 4.275 4.350 -0.017 0.000 0.193 214 E C 2.008 178.692 176.600 0.141 0.000 0.985 214 E CA 1.381 57.857 56.400 0.127 0.000 0.814 214 E CB -0.093 29.647 29.700 0.068 0.000 0.752 214 E HN 0.565 nan 8.360 nan 0.000 0.466 215 D N 0.251 120.693 120.400 0.069 0.000 2.097 215 D HA -0.102 4.528 4.640 -0.017 0.000 0.197 215 D C 2.092 178.460 176.300 0.114 0.000 0.984 215 D CA 0.747 54.783 54.000 0.059 0.000 0.826 215 D CB -0.028 40.776 40.800 0.007 0.000 0.973 215 D HN 0.018 nan 8.370 nan 0.000 0.460 216 V N 0.856 120.815 119.914 0.074 0.000 2.427 216 V HA -0.191 3.918 4.120 -0.017 0.000 0.248 216 V C 2.146 178.229 176.094 -0.018 0.000 1.051 216 V CA 0.960 63.257 62.300 -0.005 0.000 1.048 216 V CB -0.524 31.325 31.823 0.043 0.000 0.666 216 V HN 0.072 nan 8.190 nan 0.000 0.456 217 F N -0.197 119.734 119.950 -0.032 0.000 2.234 217 F HA -0.178 4.338 4.527 -0.019 0.000 0.299 217 F C 2.029 177.812 175.800 -0.029 0.000 1.087 217 F CA 1.360 59.345 58.000 -0.024 0.000 1.340 217 F CB -0.350 38.657 39.000 0.011 0.000 1.031 217 F HN 0.320 nan 8.300 nan 0.000 0.500 218 W N 0.937 122.085 121.300 -0.252 0.000 2.379 218 W HA -0.079 4.571 4.660 -0.017 0.000 0.307 218 W C 2.362 178.617 176.519 -0.440 0.000 1.200 218 W CA 2.597 59.727 57.345 -0.359 0.000 1.297 218 W CB -0.810 28.519 29.460 -0.220 0.000 1.140 218 W HN 0.016 nan 8.180 nan 0.000 0.507 219 A N 1.244 123.831 122.820 -0.389 0.000 1.908 219 A HA -0.217 4.093 4.320 -0.017 0.000 0.218 219 A C 2.068 178.979 177.584 -1.122 0.000 1.181 219 A CA 2.262 53.724 52.037 -0.960 0.000 0.627 219 A CB -1.550 16.686 19.000 -1.273 0.000 0.818 219 A HN 0.637 nan 8.150 nan 0.000 0.445 220 I N -3.461 116.591 120.570 -0.863 0.000 2.830 220 I HA -0.037 4.123 4.170 -0.017 0.000 0.263 220 I C 1.134 177.112 176.117 -0.232 0.000 1.230 220 I CA 0.786 61.762 61.300 -0.541 0.000 1.480 220 I CB -0.232 37.620 38.000 -0.248 0.000 1.095 220 I HN 0.058 nan 8.210 nan 0.000 0.455 221 R N 2.149 122.386 120.500 -0.437 0.000 4.609 221 R HA 0.318 4.648 4.340 -0.017 0.000 0.235 221 R C 0.671 176.758 176.300 -0.354 0.000 1.836 221 R CA 0.503 56.361 56.100 -0.404 0.000 1.564 221 R CB 0.104 30.072 30.300 -0.553 0.000 1.382 221 R HN 0.686 nan 8.270 nan 0.000 0.776 222 G N -1.064 107.611 108.800 -0.208 0.000 2.425 222 G HA2 -0.195 3.755 3.960 -0.017 0.000 0.177 222 G HA3 -0.195 3.755 3.960 -0.017 0.000 0.177 222 G C 0.822 175.789 174.900 0.112 0.000 0.999 222 G CA -0.308 44.775 45.100 -0.028 0.000 0.723 222 G HN 0.494 nan 8.290 nan 0.000 0.491 223 G N 0.257 109.018 108.800 -0.066 0.000 2.848 223 G HA2 0.545 4.494 3.960 -0.017 0.000 0.208 223 G HA3 0.545 4.494 3.960 -0.017 0.000 0.208 223 G C 1.116 176.337 174.900 0.534 0.000 1.152 223 G CA 1.479 46.598 45.100 0.031 0.000 0.789 223 G HN 1.963 nan 8.290 nan 0.000 0.531 224 G N -1.740 107.362 108.800 0.504 0.000 2.770 224 G HA2 0.449 4.398 3.960 -0.017 0.000 0.686 224 G HA3 0.449 4.398 3.960 -0.017 0.000 0.686 224 G C 0.184 175.333 174.900 0.416 0.000 1.180 224 G CA -0.379 44.982 45.100 0.435 0.000 0.767 224 G HN 0.917 nan 8.290 nan 0.000 0.646 225 G N -0.641 108.313 108.800 0.257 0.000 2.569 225 G HA2 0.666 4.615 3.960 -0.017 0.000 0.249 225 G HA3 0.666 4.615 3.960 -0.017 0.000 0.249 225 G C 1.447 176.449 174.900 0.170 0.000 1.216 225 G CA 1.338 46.567 45.100 0.215 0.000 0.845 225 G HN 2.540 nan 8.290 nan 0.000 0.568 226 G N -1.123 107.759 108.800 0.138 0.000 2.147 226 G HA2 -0.179 3.770 3.960 -0.017 0.000 0.244 226 G HA3 -0.179 3.770 3.960 -0.017 0.000 0.244 226 G C 0.580 175.553 174.900 0.122 0.000 1.005 226 G CA 0.551 45.753 45.100 0.170 0.000 0.713 226 G HN 1.293 nan 8.290 nan 0.000 0.515 227 V N -2.829 116.991 119.914 -0.157 0.000 3.350 227 V HA 0.240 4.350 4.120 -0.017 0.000 0.246 227 V C 1.811 177.478 176.094 -0.711 0.000 1.363 227 V CA 1.507 63.464 62.300 -0.571 0.000 1.162 227 V CB -0.260 30.918 31.823 -1.074 0.000 0.947 227 V HN 0.487 nan 8.190 nan 0.000 0.454 228 W N 0.733 121.970 121.300 -0.105 0.000 2.993 228 W HA 0.661 5.310 4.660 -0.017 0.000 0.290 228 W C 1.126 177.402 176.519 -0.405 0.000 1.203 228 W CA 0.637 57.889 57.345 -0.155 0.000 1.582 228 W CB 0.734 30.132 29.460 -0.103 0.000 1.033 228 W HN 0.340 nan 8.180 nan 0.000 0.594 229 G N 0.418 108.711 108.800 -0.844 0.000 2.325 229 G HA2 0.340 4.290 3.960 -0.017 0.000 0.285 229 G HA3 0.340 4.290 3.960 -0.017 0.000 0.285 229 G C -1.698 172.668 174.900 -0.891 0.000 1.303 229 G CA -0.664 43.553 45.100 -1.471 0.000 0.970 229 G HN 0.319 nan 8.290 nan 0.000 0.490 230 A N 0.143 122.675 122.820 -0.480 0.000 2.258 230 A HA 0.675 4.985 4.320 -0.017 0.000 0.316 230 A C 0.345 177.855 177.584 -0.123 0.000 1.279 230 A CA -0.569 51.367 52.037 -0.169 0.000 0.876 230 A CB 0.246 19.249 19.000 0.006 0.000 1.170 230 A HN 0.872 nan 8.150 nan 0.000 0.520 231 I N 3.741 124.214 120.570 -0.163 0.000 2.587 231 I HA -0.080 4.079 4.170 -0.017 0.000 0.284 231 I C 1.037 177.043 176.117 -0.184 0.000 1.134 231 I CA 0.622 61.744 61.300 -0.297 0.000 1.410 231 I CB 0.030 37.641 38.000 -0.649 0.000 1.392 231 I HN 0.939 nan 8.210 nan 0.000 0.545 232 Y N 7.340 127.511 120.300 -0.215 0.000 2.269 232 Y HA 0.390 4.930 4.550 -0.017 0.000 0.294 232 Y C 0.703 176.524 175.900 -0.132 0.000 1.120 232 Y CA 0.637 58.655 58.100 -0.136 0.000 1.159 232 Y CB 0.488 38.887 38.460 -0.102 0.000 1.024 232 Y HN 0.587 nan 8.280 nan 0.000 0.532 233 A N -1.550 120.998 122.820 -0.453 0.000 2.604 233 A HA 0.498 4.807 4.320 -0.017 0.000 0.295 233 A C -2.115 175.415 177.584 -0.089 0.000 1.067 233 A CA -0.668 51.161 52.037 -0.347 0.000 0.683 233 A CB 0.010 18.822 19.000 -0.314 0.000 1.281 233 A HN 0.316 nan 8.150 nan 0.000 0.407 234 W N 1.059 122.427 121.300 0.114 0.000 2.551 234 W HA 0.642 5.290 4.660 -0.019 0.000 0.330 234 W C 0.416 176.793 176.519 -0.236 0.000 1.063 234 W CA -0.440 56.907 57.345 0.003 0.000 1.222 234 W CB 1.686 31.107 29.460 -0.065 0.000 1.349 234 W HN 0.663 nan 8.180 nan 0.000 0.536 235 K N 5.046 125.230 120.400 -0.360 0.000 2.293 235 K HA 0.473 4.782 4.320 -0.017 0.000 0.267 235 K C -0.652 175.720 176.600 -0.379 0.000 1.010 235 K CA -0.447 55.312 56.287 -0.880 0.000 0.875 235 K CB 0.398 31.905 32.500 -1.655 0.000 1.106 235 K HN 0.618 nan 8.250 nan 0.000 0.450 236 I N 0.310 120.666 120.570 -0.358 0.000 2.648 236 I HA 0.526 4.685 4.170 -0.017 0.000 0.304 236 I C -0.766 175.222 176.117 -0.214 0.000 1.009 236 I CA -1.223 59.914 61.300 -0.273 0.000 1.114 236 I CB 1.692 39.332 38.000 -0.601 0.000 1.293 236 I HN 0.291 nan 8.210 nan 0.000 0.449 237 K N 5.105 125.468 120.400 -0.063 0.000 2.276 237 K HA 0.506 4.816 4.320 -0.017 0.000 0.285 237 K C -0.964 175.625 176.600 -0.017 0.000 1.062 237 K CA -0.263 55.994 56.287 -0.050 0.000 0.918 237 K CB 0.595 33.084 32.500 -0.018 0.000 1.055 237 K HN 0.689 nan 8.250 nan 0.000 0.477 238 L N 5.267 126.438 121.223 -0.086 0.000 2.417 238 L HA 0.351 4.680 4.340 -0.017 0.000 0.268 238 L C -0.119 176.654 176.870 -0.163 0.000 1.158 238 L CA -0.607 54.178 54.840 -0.093 0.000 0.819 238 L CB 0.393 42.375 42.059 -0.128 0.000 1.112 238 L HN 0.471 nan 8.230 nan 0.000 0.458 239 L N 2.875 123.935 121.223 -0.272 0.000 2.354 239 L HA 0.522 4.851 4.340 -0.017 0.000 0.269 239 L C -2.369 174.312 176.870 -0.314 0.000 1.005 239 L CA -2.131 52.438 54.840 -0.452 0.000 0.819 239 L CB 1.927 43.392 42.059 -0.989 0.000 1.311 239 L HN 0.314 nan 8.230 nan 0.000 0.423 240 P HA 0.144 nan 4.420 nan 0.000 0.271 240 P C -1.118 176.294 177.300 0.187 0.000 1.216 240 P CA -0.216 62.901 63.100 0.027 0.000 0.771 240 P CB 0.947 32.729 31.700 0.136 0.000 0.864 241 V N 0.568 120.462 119.914 -0.033 0.000 2.925 241 V HA 0.716 4.825 4.120 -0.017 0.000 0.311 241 V C -2.795 173.094 176.094 -0.342 0.000 1.104 241 V CA -3.132 59.038 62.300 -0.217 0.000 0.954 241 V CB 1.806 33.464 31.823 -0.276 0.000 1.022 241 V HN 0.251 nan 8.190 nan 0.000 0.427 242 P HA 0.316 nan 4.420 nan 0.000 0.272 242 P C 0.555 177.719 177.300 -0.228 0.000 1.230 242 P CA -0.129 62.735 63.100 -0.393 0.000 0.788 242 P CB 0.662 32.056 31.700 -0.511 0.000 0.949 243 E N 0.103 120.215 120.200 -0.147 0.000 2.204 243 E HA -0.108 4.232 4.350 -0.017 0.000 0.195 243 E C 0.070 176.621 176.600 -0.081 0.000 0.990 243 E CA 1.137 57.484 56.400 -0.087 0.000 0.821 243 E CB 0.077 29.738 29.700 -0.065 0.000 0.750 243 E HN 0.312 nan 8.360 nan 0.000 0.477 244 K N 0.937 121.266 120.400 -0.119 0.000 2.426 244 K HA 0.294 4.603 4.320 -0.017 0.000 0.254 244 K C -0.290 176.202 176.600 -0.181 0.000 0.936 244 K CA -0.515 55.706 56.287 -0.110 0.000 0.801 244 K CB 2.164 34.615 32.500 -0.082 0.000 1.139 244 K HN -0.087 nan 8.250 nan 0.000 0.424 245 V N -0.970 118.839 119.914 -0.175 0.000 3.096 245 V HA 0.713 4.823 4.120 -0.017 0.000 0.319 245 V C -0.106 175.864 176.094 -0.207 0.000 1.103 245 V CA -0.617 61.503 62.300 -0.299 0.000 1.016 245 V CB 1.905 33.492 31.823 -0.392 0.000 1.090 245 V HN 0.619 nan 8.190 nan 0.000 0.449 246 T N 2.074 116.490 114.554 -0.230 0.000 2.807 246 T HA 0.739 5.078 4.350 -0.017 0.000 0.279 246 T C -0.381 174.303 174.700 -0.025 0.000 0.993 246 T CA -0.313 61.779 62.100 -0.014 0.000 0.970 246 T CB 1.272 70.256 68.868 0.194 0.000 0.950 246 T HN 1.326 nan 8.240 nan 0.000 0.441 247 V N 0.703 120.646 119.914 0.049 0.000 3.040 247 V HA 0.993 5.103 4.120 -0.017 0.000 0.312 247 V C -1.266 174.904 176.094 0.127 0.000 1.115 247 V CA -1.496 60.835 62.300 0.052 0.000 0.998 247 V CB 1.700 33.624 31.823 0.169 0.000 1.042 247 V HN 0.823 nan 8.190 nan 0.000 0.433 248 F N -0.257 119.762 119.950 0.114 0.000 2.599 248 F HA 0.897 5.414 4.527 -0.017 0.000 0.311 248 F C -0.488 175.385 175.800 0.123 0.000 1.076 248 F CA -1.343 56.684 58.000 0.044 0.000 0.937 248 F CB 2.195 41.024 39.000 -0.285 0.000 1.282 248 F HN 0.748 nan 8.300 nan 0.000 0.460 249 R N 2.785 123.516 120.500 0.385 0.000 2.680 249 R HA 0.679 5.008 4.340 -0.017 0.000 0.278 249 R C -2.536 173.847 176.300 0.139 0.000 1.582 249 R CA -0.398 55.812 56.100 0.184 0.000 1.177 249 R CB 1.542 31.810 30.300 -0.054 0.000 1.232 249 R HN 0.754 nan 8.270 nan 0.000 0.528 250 V N 3.146 123.140 119.914 0.134 0.000 2.483 250 V HA 0.377 4.486 4.120 -0.017 0.000 0.297 250 V C -0.156 175.950 176.094 0.021 0.000 1.027 250 V CA -0.670 61.653 62.300 0.038 0.000 0.855 250 V CB 2.149 33.939 31.823 -0.055 0.000 0.995 250 V HN 0.624 nan 8.190 nan 0.000 0.424 251 T N 5.697 120.259 114.554 0.012 0.000 2.744 251 T HA 0.363 4.703 4.350 -0.017 0.000 0.291 251 T C -0.100 174.613 174.700 0.022 0.000 0.957 251 T CA -0.651 61.472 62.100 0.038 0.000 1.002 251 T CB 0.512 69.396 68.868 0.027 0.000 0.919 251 T HN 0.391 nan 8.240 nan 0.000 0.468 252 K N 4.007 124.423 120.400 0.027 0.000 2.227 252 K HA 0.303 4.612 4.320 -0.017 0.000 0.280 252 K C -0.182 176.447 176.600 0.049 0.000 1.041 252 K CA -0.573 55.717 56.287 0.005 0.000 0.905 252 K CB 0.809 33.289 32.500 -0.034 0.000 1.068 252 K HN 0.462 nan 8.250 nan 0.000 0.470 253 N N 2.651 121.373 118.700 0.037 0.000 2.501 253 N HA 0.238 4.968 4.740 -0.017 0.000 0.245 253 N C -0.179 175.348 175.510 0.029 0.000 0.974 253 N CA -0.270 52.813 53.050 0.055 0.000 0.941 253 N CB 1.481 39.995 38.487 0.046 0.000 1.122 253 N HN 0.357 nan 8.380 nan 0.000 0.507 254 V N -1.257 118.672 119.914 0.026 0.000 3.156 254 V HA 0.961 5.071 4.120 -0.017 0.000 0.310 254 V C -0.107 175.991 176.094 0.006 0.000 1.234 254 V CA -1.118 61.188 62.300 0.010 0.000 1.065 254 V CB 1.297 33.120 31.823 -0.001 0.000 1.088 254 V HN 0.483 nan 8.190 nan 0.000 0.451 255 A N 0.017 122.839 122.820 0.005 0.000 2.248 255 A HA 0.748 5.058 4.320 -0.017 0.000 0.316 255 A C 0.923 178.498 177.584 -0.016 0.000 1.101 255 A CA -0.165 51.871 52.037 -0.002 0.000 0.875 255 A CB 0.845 19.851 19.000 0.011 0.000 1.207 255 A HN 1.278 nan 8.150 nan 0.000 0.504 256 I N -0.891 119.654 120.570 -0.041 0.000 2.286 256 I HA -0.191 3.968 4.170 -0.017 0.000 0.248 256 I C 1.814 177.926 176.117 -0.009 0.000 1.115 256 I CA 2.321 63.563 61.300 -0.096 0.000 1.392 256 I CB -0.127 37.722 38.000 -0.251 0.000 1.065 256 I HN 0.959 nan 8.210 nan 0.000 0.418 257 D N 0.652 121.094 120.400 0.071 0.000 2.092 257 D HA -0.329 4.300 4.640 -0.017 0.000 0.193 257 D C 2.152 178.512 176.300 0.101 0.000 0.994 257 D CA 1.926 56.009 54.000 0.138 0.000 0.828 257 D CB -0.068 40.802 40.800 0.117 0.000 0.963 257 D HN 0.456 nan 8.370 nan 0.000 0.450 258 E N -0.685 119.553 120.200 0.063 0.000 2.072 258 E HA -0.146 4.194 4.350 -0.017 0.000 0.191 258 E C 2.024 178.652 176.600 0.047 0.000 0.985 258 E CA 0.881 57.315 56.400 0.057 0.000 0.801 258 E CB -0.212 29.510 29.700 0.038 0.000 0.750 258 E HN 0.334 nan 8.360 nan 0.000 0.452 259 A N 0.315 123.143 122.820 0.013 0.000 1.908 259 A HA -0.184 4.125 4.320 -0.017 0.000 0.218 259 A C 2.372 179.951 177.584 -0.009 0.000 1.181 259 A CA 2.060 54.083 52.037 -0.023 0.000 0.627 259 A CB -0.984 17.977 19.000 -0.066 0.000 0.818 259 A HN 0.337 nan 8.150 nan 0.000 0.445 260 T N 0.586 115.169 114.554 0.048 0.000 2.708 260 T HA -0.153 4.186 4.350 -0.017 0.000 0.266 260 T C 2.350 177.134 174.700 0.140 0.000 1.037 260 T CA 2.068 64.244 62.100 0.126 0.000 1.146 260 T CB -0.456 68.567 68.868 0.258 0.000 0.865 260 T HN 0.804 nan 8.240 nan 0.000 0.435 261 S N 1.595 117.381 115.700 0.144 0.000 2.402 261 S HA 0.051 4.510 4.470 -0.017 0.000 0.229 261 S C 2.093 176.821 174.600 0.213 0.000 1.021 261 S CA 0.617 58.926 58.200 0.182 0.000 0.974 261 S CB -0.745 62.546 63.200 0.152 0.000 0.800 261 S HN 0.388 nan 8.310 nan 0.000 0.484 262 L N 0.641 121.966 121.223 0.170 0.000 2.027 262 L HA 0.020 4.350 4.340 -0.017 0.000 0.206 262 L C 2.649 179.656 176.870 0.228 0.000 1.074 262 L CA 1.181 56.175 54.840 0.257 0.000 0.745 262 L CB -0.544 41.590 42.059 0.126 0.000 0.898 262 L HN 0.307 nan 8.230 nan 0.000 0.433 263 L N -1.234 119.949 121.223 -0.067 0.000 2.093 263 L HA -0.236 4.094 4.340 -0.017 0.000 0.208 263 L C 2.711 179.314 176.870 -0.445 0.000 1.085 263 L CA 1.024 55.597 54.840 -0.444 0.000 0.755 263 L CB -0.809 40.604 42.059 -1.077 0.000 0.904 263 L HN 0.415 nan 8.230 nan 0.000 0.435 264 H N 0.963 119.896 119.070 -0.228 0.000 2.387 264 H HA -0.212 4.334 4.556 -0.017 0.000 0.299 264 H C 2.250 177.691 175.328 0.188 0.000 1.090 264 H CA 1.941 58.074 56.048 0.141 0.000 1.332 264 H CB 0.367 30.289 29.762 0.267 0.000 1.386 264 H HN 0.244 nan 8.280 nan 0.000 0.516 265 K N -0.080 120.411 120.400 0.152 0.000 2.116 265 K HA -0.148 4.162 4.320 -0.017 0.000 0.203 265 K C 2.302 178.791 176.600 -0.185 0.000 1.052 265 K CA 1.083 57.385 56.287 0.025 0.000 0.952 265 K CB -0.440 32.031 32.500 -0.049 0.000 0.729 265 K HN 0.279 nan 8.250 nan 0.000 0.446 266 W N 2.880 124.048 121.300 -0.220 0.000 2.305 266 W HA -0.331 4.318 4.660 -0.019 0.000 0.308 266 W C 1.987 178.424 176.519 -0.136 0.000 1.226 266 W CA 2.549 59.826 57.345 -0.113 0.000 1.253 266 W CB -0.325 29.205 29.460 0.116 0.000 1.146 266 W HN 0.311 nan 8.180 nan 0.000 0.507 267 Q N -1.310 118.233 119.800 -0.428 0.000 2.135 267 Q HA -0.238 4.091 4.340 -0.017 0.000 0.204 267 Q C 1.941 177.427 176.000 -0.856 0.000 0.981 267 Q CA 1.949 57.218 55.803 -0.890 0.000 0.856 267 Q CB -1.304 27.141 28.738 -0.489 0.000 0.902 267 Q HN 0.384 nan 8.270 nan 0.000 0.425 268 F N 0.978 120.683 119.950 -0.408 0.000 2.149 268 F HA -0.053 4.463 4.527 -0.018 0.000 0.294 268 F C 2.425 178.023 175.800 -0.336 0.000 1.095 268 F CA 0.610 58.418 58.000 -0.320 0.000 1.276 268 F CB -0.643 38.200 39.000 -0.262 0.000 1.023 268 F HN -0.125 nan 8.300 nan 0.000 0.480 269 V N 0.366 120.138 119.914 -0.237 0.000 2.287 269 V HA -0.344 3.765 4.120 -0.017 0.000 0.248 269 V C 2.624 178.594 176.094 -0.207 0.000 1.053 269 V CA 1.942 64.108 62.300 -0.223 0.000 1.027 269 V CB -1.453 30.208 31.823 -0.270 0.000 0.646 269 V HN 0.367 nan 8.190 nan 0.000 0.447 270 A N -0.648 121.904 122.820 -0.448 0.000 1.877 270 A HA -0.274 4.035 4.320 -0.017 0.000 0.216 270 A C 2.333 179.811 177.584 -0.176 0.000 1.186 270 A CA 2.012 53.833 52.037 -0.360 0.000 0.620 270 A CB -0.510 17.956 19.000 -0.889 0.000 0.822 270 A HN 0.609 nan 8.150 nan 0.000 0.443 271 E N -0.449 119.610 120.200 -0.234 0.000 2.216 271 E HA -0.145 4.195 4.350 -0.017 0.000 0.192 271 E C 1.617 178.199 176.600 -0.029 0.000 0.988 271 E CA 1.026 57.374 56.400 -0.087 0.000 0.834 271 E CB -0.009 29.627 29.700 -0.107 0.000 0.772 271 E HN 0.765 nan 8.360 nan 0.000 0.479 272 E N 0.035 120.204 120.200 -0.052 0.000 2.400 272 E HA 0.090 4.430 4.350 -0.017 0.000 0.195 272 E C 0.275 176.856 176.600 -0.032 0.000 1.012 272 E CA -0.301 56.081 56.400 -0.030 0.000 0.875 272 E CB 0.332 30.010 29.700 -0.036 0.000 0.859 272 E HN 0.180 nan 8.360 nan 0.000 0.498 273 L N 2.510 123.715 121.223 -0.031 0.000 2.529 273 L HA -0.074 4.256 4.340 -0.017 0.000 0.287 273 L C 0.702 177.600 176.870 0.047 0.000 1.241 273 L CA 0.378 55.200 54.840 -0.031 0.000 0.857 273 L CB 0.245 42.332 42.059 0.047 0.000 1.113 273 L HN 0.106 nan 8.230 nan 0.000 0.504 274 E N 1.581 121.823 120.200 0.069 0.000 2.438 274 E HA -0.112 4.228 4.350 -0.017 0.000 0.261 274 E C 0.895 177.619 176.600 0.206 0.000 1.103 274 E CA 0.216 56.702 56.400 0.143 0.000 0.959 274 E CB 0.429 30.244 29.700 0.193 0.000 0.958 274 E HN 0.660 nan 8.360 nan 0.000 0.447 275 E N 1.191 121.445 120.200 0.090 0.000 2.333 275 E HA -0.220 4.119 4.350 -0.017 0.000 0.198 275 E C 0.328 176.923 176.600 -0.007 0.000 1.007 275 E CA 0.981 57.385 56.400 0.007 0.000 0.845 275 E CB 0.087 29.720 29.700 -0.111 0.000 0.766 275 E HN 0.348 nan 8.360 nan 0.000 0.507 276 D N -0.185 120.247 120.400 0.053 0.000 2.352 276 D HA 0.105 4.735 4.640 -0.017 0.000 0.232 276 D C -0.788 175.504 176.300 -0.014 0.000 1.055 276 D CA 0.473 54.451 54.000 -0.036 0.000 0.891 276 D CB -0.056 40.714 40.800 -0.050 0.000 0.897 276 D HN 0.139 nan 8.370 nan 0.000 0.529 277 F N -0.721 119.396 119.950 0.278 0.000 2.576 277 F HA 0.397 4.915 4.527 -0.014 0.000 0.313 277 F C 0.308 176.303 175.800 0.325 0.000 1.078 277 F CA -0.752 57.464 58.000 0.361 0.000 0.921 277 F CB 2.246 41.383 39.000 0.228 0.000 1.232 277 F HN -0.492 nan 8.300 nan 0.000 0.459 278 T N 3.477 118.388 114.554 0.595 0.000 2.921 278 T HA 0.559 4.899 4.350 -0.017 0.000 0.297 278 T C -1.802 173.182 174.700 0.473 0.000 1.013 278 T CA -0.452 61.914 62.100 0.444 0.000 0.990 278 T CB 1.657 70.707 68.868 0.303 0.000 1.023 278 T HN 0.413 nan 8.240 nan 0.000 0.447 279 L N 3.141 124.653 121.223 0.482 0.000 2.372 279 L HA 0.766 5.096 4.340 -0.017 0.000 0.273 279 L C -0.638 176.605 176.870 0.621 0.000 0.989 279 L CA 0.092 55.237 54.840 0.509 0.000 0.841 279 L CB 1.408 43.871 42.059 0.673 0.000 1.225 279 L HN 0.631 nan 8.230 nan 0.000 0.414 280 S N 2.810 118.744 115.700 0.390 0.000 2.677 280 S HA 0.916 5.376 4.470 -0.017 0.000 0.304 280 S C -1.102 173.495 174.600 -0.005 0.000 1.108 280 S CA -0.660 57.710 58.200 0.282 0.000 0.944 280 S CB 2.259 65.554 63.200 0.158 0.000 1.127 280 S HN 0.388 nan 8.310 nan 0.000 0.511 281 V N 1.667 121.439 119.914 -0.236 0.000 2.760 281 V HA 0.507 4.617 4.120 -0.017 0.000 0.309 281 V C -1.139 174.817 176.094 -0.230 0.000 1.077 281 V CA -0.624 61.483 62.300 -0.322 0.000 0.910 281 V CB 1.587 33.019 31.823 -0.652 0.000 1.008 281 V HN 0.682 nan 8.190 nan 0.000 0.424 282 L N 3.322 124.477 121.223 -0.112 0.000 2.322 282 L HA 0.942 5.272 4.340 -0.017 0.000 0.281 282 L C 0.514 177.325 176.870 -0.098 0.000 1.014 282 L CA -0.108 54.730 54.840 -0.002 0.000 0.815 282 L CB 1.955 44.094 42.059 0.133 0.000 1.247 282 L HN 0.847 nan 8.230 nan 0.000 0.421 283 G N 0.953 109.545 108.800 -0.347 0.000 2.659 283 G HA2 0.777 4.726 3.960 -0.017 0.000 0.296 283 G HA3 0.777 4.726 3.960 -0.017 0.000 0.296 283 G C -1.147 173.004 174.900 -1.249 0.000 1.369 283 G CA -0.353 44.197 45.100 -0.917 0.000 0.937 283 G HN 0.833 nan 8.290 nan 0.000 0.485 284 G N -1.360 106.244 108.800 -1.994 0.000 2.606 284 G HA2 0.982 4.931 3.960 -0.017 0.000 0.300 284 G HA3 0.982 4.931 3.960 -0.017 0.000 0.300 284 G C -1.123 173.264 174.900 -0.855 0.000 1.360 284 G CA 0.337 44.779 45.100 -1.096 0.000 0.783 284 G HN 1.885 nan 8.290 nan 0.000 0.484 285 A N -0.737 121.976 122.820 -0.177 0.000 2.581 285 A HA 0.806 5.115 4.320 -0.017 0.000 0.290 285 A C -2.277 175.364 177.584 0.096 0.000 1.119 285 A CA -0.298 51.725 52.037 -0.023 0.000 0.670 285 A CB 2.265 21.218 19.000 -0.077 0.000 1.280 285 A HN 0.921 nan 8.150 nan 0.000 0.425 286 D N 0.154 120.603 120.400 0.082 0.000 2.354 286 D HA 0.384 5.013 4.640 -0.017 0.000 0.230 286 D C 0.347 176.670 176.300 0.038 0.000 1.361 286 D CA 0.277 54.315 54.000 0.065 0.000 0.992 286 D CB 0.417 41.268 40.800 0.085 0.000 1.409 286 D HN 0.667 nan 8.370 nan 0.000 0.573 287 E N 1.723 121.936 120.200 0.022 0.000 3.357 287 E HA -0.352 3.988 4.350 -0.017 0.000 0.416 287 E C 0.512 177.115 176.600 0.004 0.000 1.565 287 E CA 1.539 57.946 56.400 0.012 0.000 1.422 287 E CB -0.485 29.224 29.700 0.014 0.000 1.536 287 E HN 0.427 nan 8.360 nan 0.000 0.459 288 K N 1.164 121.569 120.400 0.008 0.000 2.459 288 K HA 0.035 4.345 4.320 -0.017 0.000 0.193 288 K C 0.396 177.001 176.600 0.007 0.000 1.030 288 K CA 0.378 56.666 56.287 0.003 0.000 1.026 288 K CB 0.092 32.597 32.500 0.008 0.000 0.809 288 K HN 0.216 nan 8.250 nan 0.000 0.504 289 Q N 1.398 121.213 119.800 0.024 0.000 2.331 289 Q HA 0.240 4.570 4.340 -0.017 0.000 0.257 289 Q C -1.062 174.971 176.000 0.056 0.000 0.957 289 Q CA -0.440 55.390 55.803 0.045 0.000 0.923 289 Q CB 1.901 30.678 28.738 0.066 0.000 1.212 289 Q HN -0.095 nan 8.270 nan 0.000 0.443 290 V N 3.964 123.895 119.914 0.027 0.000 2.483 290 V HA 0.472 4.582 4.120 -0.017 0.000 0.295 290 V C -0.406 175.722 176.094 0.056 0.000 1.035 290 V CA -0.823 61.461 62.300 -0.026 0.000 0.896 290 V CB 0.977 32.747 31.823 -0.088 0.000 0.986 290 V HN 0.715 nan 8.190 nan 0.000 0.447 291 W N 4.849 126.130 121.300 -0.031 0.000 2.587 291 W HA 0.810 5.460 4.660 -0.018 0.000 0.324 291 W C -2.060 174.428 176.519 -0.052 0.000 1.040 291 W CA -1.248 56.070 57.345 -0.045 0.000 1.222 291 W CB 1.187 30.618 29.460 -0.049 0.000 1.381 291 W HN 0.353 nan 8.180 nan 0.000 0.483 292 L N 4.288 125.583 121.223 0.120 0.000 2.372 292 L HA 0.299 4.629 4.340 -0.017 0.000 0.274 292 L C -0.076 176.863 176.870 0.114 0.000 0.988 292 L CA -0.506 54.328 54.840 -0.010 0.000 0.833 292 L CB 2.243 44.236 42.059 -0.109 0.000 1.236 292 L HN 0.346 nan 8.230 nan 0.000 0.410 293 T N 4.411 119.078 114.554 0.189 0.000 2.727 293 T HA 0.420 4.760 4.350 -0.017 0.000 0.298 293 T C 0.223 174.951 174.700 0.047 0.000 0.942 293 T CA -0.510 61.672 62.100 0.137 0.000 0.997 293 T CB 0.534 69.510 68.868 0.178 0.000 0.917 293 T HN 0.251 nan 8.240 nan 0.000 0.487 294 M N 4.619 124.251 119.600 0.053 0.000 2.120 294 M HA 0.355 4.825 4.480 -0.017 0.000 0.354 294 M C -0.449 175.947 176.300 0.160 0.000 1.287 294 M CA -0.501 54.857 55.300 0.096 0.000 1.103 294 M CB 0.146 32.817 32.600 0.118 0.000 1.623 294 M HN 0.415 nan 8.290 nan 0.000 0.471 295 L N 3.114 124.383 121.223 0.076 0.000 2.276 295 L HA 0.717 5.047 4.340 -0.017 0.000 0.286 295 L C 0.620 177.386 176.870 -0.173 0.000 1.024 295 L CA -0.577 54.258 54.840 -0.009 0.000 0.826 295 L CB 1.443 43.510 42.059 0.014 0.000 1.211 295 L HN 0.819 nan 8.230 nan 0.000 0.422 296 G N 2.409 110.782 108.800 -0.711 0.000 2.452 296 G HA2 0.659 4.608 3.960 -0.017 0.000 0.324 296 G HA3 0.659 4.608 3.960 -0.017 0.000 0.324 296 G C -1.861 172.834 174.900 -0.343 0.000 1.214 296 G CA -0.333 44.147 45.100 -1.034 0.000 0.947 296 G HN 0.355 nan 8.290 nan 0.000 0.478 297 F N 1.795 121.710 119.950 -0.059 0.000 2.574 297 F HA 0.616 5.130 4.527 -0.021 0.000 0.313 297 F C -1.125 174.840 175.800 0.276 0.000 1.130 297 F CA -0.945 57.130 58.000 0.125 0.000 0.936 297 F CB 2.362 41.462 39.000 0.167 0.000 1.219 297 F HN 0.618 nan 8.300 nan 0.000 0.445 298 H N 5.335 124.153 119.070 -0.420 0.000 2.589 298 H HA 0.298 4.845 4.556 -0.015 0.000 0.351 298 H C -1.369 173.617 175.328 -0.571 0.000 1.074 298 H CA -1.133 54.666 56.048 -0.415 0.000 1.203 298 H CB 1.183 30.792 29.762 -0.254 0.000 1.558 298 H HN 0.596 nan 8.280 nan 0.000 0.522 299 F N 5.389 124.788 119.950 -0.919 0.000 2.626 299 F HA 0.395 4.914 4.527 -0.013 0.000 0.374 299 F C 0.739 175.976 175.800 -0.938 0.000 1.184 299 F CA 1.511 59.107 58.000 -0.673 0.000 1.339 299 F CB -0.865 37.942 39.000 -0.323 0.000 1.730 299 F HN 0.778 nan 8.300 nan 0.000 0.650 300 G N 1.114 109.343 108.800 -0.951 0.000 2.344 300 G HA2 0.195 4.145 3.960 -0.017 0.000 0.282 300 G HA3 0.195 4.145 3.960 -0.017 0.000 0.282 300 G C -1.512 173.271 174.900 -0.196 0.000 1.281 300 G CA -1.081 43.677 45.100 -0.569 0.000 0.877 300 G HN 0.179 nan 8.290 nan 0.000 0.494 301 L N 0.534 121.773 121.223 0.027 0.000 2.454 301 L HA 0.390 4.720 4.340 -0.017 0.000 0.256 301 L C 2.152 179.116 176.870 0.157 0.000 1.136 301 L CA -0.421 54.459 54.840 0.067 0.000 0.804 301 L CB 1.317 43.394 42.059 0.031 0.000 1.181 301 L HN 0.960 nan 8.230 nan 0.000 0.469 302 K N -1.136 119.322 120.400 0.096 0.000 2.155 302 K HA -0.112 4.198 4.320 -0.017 0.000 0.203 302 K C 1.569 178.150 176.600 -0.031 0.000 1.052 302 K CA 1.567 57.902 56.287 0.079 0.000 0.948 302 K CB -0.462 32.082 32.500 0.072 0.000 0.728 302 K HN 0.787 nan 8.250 nan 0.000 0.448 303 T N -0.556 113.992 114.554 -0.010 0.000 2.708 303 T HA -0.101 4.238 4.350 -0.017 0.000 0.266 303 T C 2.100 176.785 174.700 -0.025 0.000 1.037 303 T CA 1.291 63.368 62.100 -0.037 0.000 1.146 303 T CB -0.761 68.101 68.868 -0.010 0.000 0.865 303 T HN 0.039 nan 8.240 nan 0.000 0.435 304 V N 2.398 122.332 119.914 0.034 0.000 2.358 304 V HA -0.042 4.068 4.120 -0.017 0.000 0.246 304 V C 3.292 179.394 176.094 0.014 0.000 1.047 304 V CA 1.505 63.832 62.300 0.045 0.000 1.035 304 V CB -1.537 30.367 31.823 0.135 0.000 0.658 304 V HN 0.688 nan 8.190 nan 0.000 0.452 305 A N 0.078 122.923 122.820 0.042 0.000 1.865 305 A HA -0.318 3.991 4.320 -0.017 0.000 0.217 305 A C 2.353 180.081 177.584 0.240 0.000 1.191 305 A CA 2.517 54.707 52.037 0.255 0.000 0.623 305 A CB -0.529 18.761 19.000 0.483 0.000 0.826 305 A HN 0.532 nan 8.150 nan 0.000 0.444 306 K N -0.505 119.773 120.400 -0.202 0.000 2.103 306 K HA -0.059 4.250 4.320 -0.017 0.000 0.204 306 K C 2.183 178.744 176.600 -0.065 0.000 1.052 306 K CA 1.316 57.375 56.287 -0.380 0.000 0.945 306 K CB -0.148 31.886 32.500 -0.777 0.000 0.722 306 K HN 0.415 nan 8.250 nan 0.000 0.443 307 S N 0.171 115.830 115.700 -0.070 0.000 2.368 307 S HA -0.125 4.334 4.470 -0.017 0.000 0.225 307 S C 1.802 176.360 174.600 -0.070 0.000 1.030 307 S CA 1.797 59.968 58.200 -0.048 0.000 0.999 307 S CB -0.342 62.833 63.200 -0.042 0.000 0.844 307 S HN 0.439 nan 8.310 nan 0.000 0.459 308 T N 1.560 116.027 114.554 -0.145 0.000 2.708 308 T HA -0.009 4.331 4.350 -0.017 0.000 0.266 308 T C 1.352 175.844 174.700 -0.347 0.000 1.037 308 T CA 1.227 63.096 62.100 -0.384 0.000 1.146 308 T CB -0.397 67.959 68.868 -0.854 0.000 0.865 308 T HN 0.352 nan 8.240 nan 0.000 0.435 309 F N 1.505 121.479 119.950 0.041 0.000 2.367 309 F HA 0.062 4.578 4.527 -0.019 0.000 0.298 309 F C 2.208 178.077 175.800 0.116 0.000 1.094 309 F CA 0.320 58.405 58.000 0.141 0.000 1.409 309 F CB -0.449 38.715 39.000 0.273 0.000 1.064 309 F HN 0.063 nan 8.300 nan 0.000 0.528 310 D N 0.149 120.672 120.400 0.206 0.000 2.144 310 D HA -0.155 4.475 4.640 -0.017 0.000 0.199 310 D C 2.274 178.629 176.300 0.092 0.000 0.984 310 D CA 0.988 55.063 54.000 0.126 0.000 0.834 310 D CB -0.425 40.413 40.800 0.062 0.000 0.955 310 D HN 0.207 nan 8.370 nan 0.000 0.465 311 L N 0.018 121.265 121.223 0.040 0.000 2.044 311 L HA -0.010 4.319 4.340 -0.017 0.000 0.205 311 L C 2.017 178.903 176.870 0.027 0.000 1.075 311 L CA 1.404 56.249 54.840 0.008 0.000 0.747 311 L CB -0.251 41.779 42.059 -0.048 0.000 0.903 311 L HN -0.018 nan 8.230 nan 0.000 0.435 312 L N -2.259 118.979 121.223 0.025 0.000 2.307 312 L HA 0.045 4.375 4.340 -0.017 0.000 0.211 312 L C 0.711 177.688 176.870 0.178 0.000 1.099 312 L CA 0.470 55.326 54.840 0.028 0.000 0.816 312 L CB 0.082 42.093 42.059 -0.080 0.000 0.952 312 L HN 0.178 nan 8.230 nan 0.000 0.455 313 F N 1.081 121.111 119.950 0.133 0.000 2.577 313 F HA 0.239 4.755 4.527 -0.018 0.000 0.359 313 F C -1.805 174.080 175.800 0.141 0.000 1.535 313 F CA -1.409 56.695 58.000 0.173 0.000 1.093 313 F CB 1.229 40.403 39.000 0.291 0.000 1.613 313 F HN -0.142 nan 8.300 nan 0.000 0.558 314 P HA -0.153 nan 4.420 nan 0.000 0.222 314 P C 0.785 178.150 177.300 0.108 0.000 1.147 314 P CA 1.236 64.435 63.100 0.165 0.000 0.790 314 P CB 0.286 32.062 31.700 0.127 0.000 0.780 315 E N 0.043 120.357 120.200 0.190 0.000 2.265 315 E HA -0.092 4.247 4.350 -0.017 0.000 0.196 315 E C 2.062 178.604 176.600 -0.096 0.000 0.996 315 E CA 0.661 57.128 56.400 0.111 0.000 0.832 315 E CB -0.940 28.930 29.700 0.283 0.000 0.756 315 E HN 0.280 nan 8.360 nan 0.000 0.491 316 L N -0.624 120.394 121.223 -0.341 0.000 2.191 316 L HA -0.046 4.284 4.340 -0.017 0.000 0.212 316 L C 1.423 178.144 176.870 -0.249 0.000 1.103 316 L CA 0.726 55.288 54.840 -0.465 0.000 0.769 316 L CB -0.627 41.020 42.059 -0.685 0.000 0.908 316 L HN 0.381 nan 8.230 nan 0.000 0.438 317 G N 0.905 109.617 108.800 -0.146 0.000 2.273 317 G HA2 -0.284 3.665 3.960 -0.017 0.000 0.280 317 G HA3 -0.284 3.665 3.960 -0.017 0.000 0.280 317 G C 0.139 174.972 174.900 -0.113 0.000 1.047 317 G CA -0.124 44.923 45.100 -0.089 0.000 0.869 317 G HN 0.243 nan 8.290 nan 0.000 0.502 318 L N -0.299 120.831 121.223 -0.154 0.000 2.416 318 L HA 0.519 4.848 4.340 -0.017 0.000 0.272 318 L C 1.232 178.102 176.870 0.000 0.000 1.161 318 L CA -0.591 54.139 54.840 -0.184 0.000 0.845 318 L CB 0.956 42.780 42.059 -0.392 0.000 1.119 318 L HN 0.255 nan 8.230 nan 0.000 0.464 319 V N -0.242 119.682 119.914 0.016 0.000 3.096 319 V HA 0.352 4.462 4.120 -0.017 0.000 0.319 319 V C 0.903 177.111 176.094 0.191 0.000 1.103 319 V CA -0.712 61.639 62.300 0.084 0.000 1.016 319 V CB 1.595 33.439 31.823 0.035 0.000 1.090 319 V HN 0.796 nan 8.190 nan 0.000 0.449 320 E N 0.145 120.434 120.200 0.148 0.000 2.097 320 E HA -0.243 4.096 4.350 -0.017 0.000 0.196 320 E C 1.734 178.455 176.600 0.202 0.000 1.000 320 E CA 2.146 58.646 56.400 0.166 0.000 0.804 320 E CB 0.032 29.773 29.700 0.069 0.000 0.740 320 E HN 0.893 nan 8.360 nan 0.000 0.454 321 E N 0.644 120.917 120.200 0.121 0.000 2.409 321 E HA -0.131 4.209 4.350 -0.017 0.000 0.198 321 E C 1.257 177.910 176.600 0.088 0.000 1.024 321 E CA 0.652 57.105 56.400 0.089 0.000 0.861 321 E CB 0.027 29.758 29.700 0.051 0.000 0.788 321 E HN 0.211 nan 8.360 nan 0.000 0.521 322 D N -0.634 119.812 120.400 0.077 0.000 2.234 322 D HA -0.090 4.540 4.640 -0.017 0.000 0.205 322 D C -0.188 176.107 176.300 -0.009 0.000 0.962 322 D CA 0.668 54.648 54.000 -0.033 0.000 0.855 322 D CB 0.047 40.696 40.800 -0.253 0.000 0.951 322 D HN 0.263 nan 8.370 nan 0.000 0.500 323 Y N 0.674 121.034 120.300 0.099 0.000 2.365 323 Y HA 0.319 4.858 4.550 -0.019 0.000 0.340 323 Y C 0.408 176.358 175.900 0.083 0.000 1.016 323 Y CA -0.390 57.807 58.100 0.162 0.000 1.196 323 Y CB 0.732 39.289 38.460 0.162 0.000 1.167 323 Y HN -0.303 nan 8.280 nan 0.000 0.509 324 L N 4.208 125.528 121.223 0.160 0.000 2.333 324 L HA 0.478 4.807 4.340 -0.017 0.000 0.280 324 L C -0.438 176.434 176.870 0.004 0.000 1.004 324 L CA -0.838 54.011 54.840 0.015 0.000 0.820 324 L CB 1.813 43.768 42.059 -0.174 0.000 1.247 324 L HN 0.557 nan 8.230 nan 0.000 0.416 325 E N 5.316 125.515 120.200 -0.002 0.000 2.227 325 E HA 0.642 4.982 4.350 -0.017 0.000 0.282 325 E C -0.536 176.031 176.600 -0.056 0.000 1.015 325 E CA -0.346 56.041 56.400 -0.022 0.000 0.823 325 E CB 1.828 31.524 29.700 -0.008 0.000 1.081 325 E HN 0.534 nan 8.360 nan 0.000 0.396 326 M N -0.912 118.650 119.600 -0.063 0.000 2.949 326 M HA 0.409 4.878 4.480 -0.017 0.000 0.270 326 M C -0.570 175.707 176.300 -0.038 0.000 1.221 326 M CA -1.105 54.160 55.300 -0.058 0.000 0.818 326 M CB 1.470 34.019 32.600 -0.085 0.000 1.635 326 M HN 0.358 nan 8.290 nan 0.000 0.492 327 S N 0.030 115.718 115.700 -0.021 0.000 2.600 327 S HA 0.138 4.597 4.470 -0.017 0.000 0.265 327 S C 0.324 174.955 174.600 0.052 0.000 1.325 327 S CA -0.006 58.202 58.200 0.013 0.000 1.002 327 S CB 0.606 63.815 63.200 0.015 0.000 0.921 327 S HN 0.977 nan 8.310 nan 0.000 0.554 328 W N 2.260 123.515 121.300 -0.074 0.000 2.335 328 W HA 0.044 4.683 4.660 -0.034 0.000 0.311 328 W C 2.131 178.594 176.519 -0.093 0.000 1.213 328 W CA 1.838 59.139 57.345 -0.073 0.000 1.274 328 W CB -1.080 28.290 29.460 -0.150 0.000 1.148 328 W HN 0.845 nan 8.180 nan 0.000 0.498 329 G N 0.108 108.729 108.800 -0.298 0.000 2.418 329 G HA2 -0.304 3.646 3.960 -0.017 0.000 0.217 329 G HA3 -0.304 3.646 3.960 -0.017 0.000 0.217 329 G C 1.325 176.038 174.900 -0.312 0.000 1.158 329 G CA 1.185 45.961 45.100 -0.541 0.000 0.771 329 G HN 0.440 nan 8.290 nan 0.000 0.545 330 E N 0.594 120.713 120.200 -0.135 0.000 2.110 330 E HA -0.151 4.189 4.350 -0.017 0.000 0.193 330 E C 2.923 179.523 176.600 0.000 0.000 0.988 330 E CA 1.330 57.702 56.400 -0.046 0.000 0.804 330 E CB -0.108 29.575 29.700 -0.028 0.000 0.745 330 E HN 0.589 nan 8.360 nan 0.000 0.458 331 S N 0.261 115.957 115.700 -0.007 0.000 2.382 331 S HA -0.152 4.308 4.470 -0.017 0.000 0.228 331 S C 1.826 176.564 174.600 0.230 0.000 1.027 331 S CA 0.739 59.038 58.200 0.165 0.000 0.991 331 S CB -0.354 63.019 63.200 0.288 0.000 0.823 331 S HN 0.115 nan 8.310 nan 0.000 0.469 332 F N 2.395 122.140 119.950 -0.342 0.000 2.259 332 F HA 0.364 4.884 4.527 -0.011 0.000 0.298 332 F C 2.798 178.448 175.800 -0.251 0.000 1.088 332 F CA -0.234 57.525 58.000 -0.401 0.000 1.358 332 F CB -1.167 37.315 39.000 -0.863 0.000 1.040 332 F HN 0.334 nan 8.300 nan 0.000 0.505 333 A N -1.067 121.744 122.820 -0.016 0.000 1.898 333 A HA -0.245 4.064 4.320 -0.017 0.000 0.216 333 A C 2.120 179.715 177.584 0.018 0.000 1.181 333 A CA 1.444 53.472 52.037 -0.014 0.000 0.620 333 A CB -1.434 17.579 19.000 0.021 0.000 0.819 333 A HN 0.433 nan 8.150 nan 0.000 0.442 334 Y N 0.440 120.720 120.300 -0.032 0.000 2.163 334 Y HA -0.117 4.422 4.550 -0.017 0.000 0.288 334 Y C 1.947 177.858 175.900 0.018 0.000 1.136 334 Y CA 1.782 59.882 58.100 -0.000 0.000 1.147 334 Y CB -0.281 38.194 38.460 0.026 0.000 0.987 334 Y HN 0.199 nan 8.280 nan 0.000 0.509 335 L N -0.385 120.876 121.223 0.062 0.000 2.131 335 L HA -0.178 4.151 4.340 -0.017 0.000 0.210 335 L C 2.441 179.359 176.870 0.080 0.000 1.092 335 L CA 1.098 55.986 54.840 0.081 0.000 0.759 335 L CB -0.671 41.501 42.059 0.189 0.000 0.903 335 L HN 0.345 nan 8.230 nan 0.000 0.435 336 A N -0.732 121.913 122.820 -0.293 0.000 2.251 336 A HA 0.287 4.597 4.320 -0.017 0.000 0.209 336 A C 1.709 179.147 177.584 -0.243 0.000 1.187 336 A CA 0.696 52.327 52.037 -0.676 0.000 0.823 336 A CB -0.328 18.144 19.000 -0.880 0.000 0.846 336 A HN 0.502 nan 8.150 nan 0.000 0.486 337 G N -1.027 107.667 108.800 -0.177 0.000 2.136 337 G HA2 -0.209 3.741 3.960 -0.017 0.000 0.242 337 G HA3 -0.209 3.741 3.960 -0.017 0.000 0.242 337 G C 0.128 174.967 174.900 -0.101 0.000 0.989 337 G CA 0.289 45.292 45.100 -0.161 0.000 0.682 337 G HN 0.418 nan 8.290 nan 0.000 0.522 338 L N 0.014 121.202 121.223 -0.060 0.000 2.464 338 L HA 0.280 4.610 4.340 -0.017 0.000 0.264 338 L C 1.738 178.609 176.870 0.001 0.000 1.199 338 L CA -0.624 54.206 54.840 -0.015 0.000 0.818 338 L CB 0.388 42.442 42.059 -0.007 0.000 1.102 338 L HN 0.031 nan 8.230 nan 0.000 0.473 339 E N 0.527 120.731 120.200 0.007 0.000 2.107 339 E HA -0.032 4.308 4.350 -0.017 0.000 0.191 339 E C 0.557 177.182 176.600 0.041 0.000 0.982 339 E CA 0.993 57.406 56.400 0.021 0.000 0.809 339 E CB 0.145 29.851 29.700 0.009 0.000 0.756 339 E HN 0.825 nan 8.360 nan 0.000 0.459 340 T N -3.894 110.683 114.554 0.038 0.000 2.843 340 T HA 0.340 4.679 4.350 -0.017 0.000 0.302 340 T C 1.034 175.769 174.700 0.057 0.000 1.232 340 T CA -0.635 61.494 62.100 0.049 0.000 1.009 340 T CB 1.529 70.424 68.868 0.045 0.000 1.254 340 T HN -0.246 nan 8.240 nan 0.000 0.504 341 V N 1.407 121.366 119.914 0.075 0.000 2.392 341 V HA -0.160 3.950 4.120 -0.017 0.000 0.249 341 V C 2.890 179.096 176.094 0.188 0.000 1.059 341 V CA 2.533 64.901 62.300 0.113 0.000 1.051 341 V CB -1.046 30.836 31.823 0.098 0.000 0.658 341 V HN 1.030 nan 8.190 nan 0.000 0.455 342 S N -0.791 115.004 115.700 0.158 0.000 2.402 342 S HA -0.299 4.161 4.470 -0.017 0.000 0.233 342 S C 1.944 176.507 174.600 -0.062 0.000 1.030 342 S CA 1.554 59.801 58.200 0.079 0.000 1.003 342 S CB -0.318 62.913 63.200 0.052 0.000 0.813 342 S HN 0.671 nan 8.310 nan 0.000 0.477 343 Q N 0.193 119.984 119.800 -0.014 0.000 2.291 343 Q HA 0.024 4.353 4.340 -0.017 0.000 0.205 343 Q C 2.004 177.969 176.000 -0.058 0.000 0.970 343 Q CA 0.619 56.399 55.803 -0.037 0.000 0.876 343 Q CB -0.314 28.420 28.738 -0.007 0.000 0.935 343 Q HN 0.522 nan 8.270 nan 0.000 0.455 344 L N 0.571 121.781 121.223 -0.022 0.000 2.127 344 L HA -0.206 4.123 4.340 -0.017 0.000 0.211 344 L C 1.769 178.581 176.870 -0.097 0.000 1.089 344 L CA 0.815 55.649 54.840 -0.010 0.000 0.757 344 L CB -0.292 41.843 42.059 0.127 0.000 0.899 344 L HN 0.209 nan 8.230 nan 0.000 0.434 345 N N -0.062 118.487 118.700 -0.251 0.000 2.383 345 N HA -0.069 4.661 4.740 -0.017 0.000 0.192 345 N C 0.147 175.500 175.510 -0.262 0.000 1.141 345 N CA 0.104 52.925 53.050 -0.383 0.000 0.851 345 N CB -0.121 37.793 38.487 -0.954 0.000 0.976 345 N HN 0.096 nan 8.380 nan 0.000 0.465 346 N N 0.670 119.260 118.700 -0.184 0.000 2.609 346 N HA 0.089 4.818 4.740 -0.017 0.000 0.234 346 N C 0.868 176.283 175.510 -0.159 0.000 1.001 346 N CA -0.359 52.611 53.050 -0.133 0.000 0.926 346 N CB 0.415 38.862 38.487 -0.066 0.000 1.130 346 N HN 0.230 nan 8.380 nan 0.000 0.510 347 R N 1.884 122.206 120.500 -0.297 0.000 2.237 347 R HA 0.001 4.330 4.340 -0.017 0.000 0.219 347 R C -0.004 176.039 176.300 -0.427 0.000 1.080 347 R CA 1.192 57.034 56.100 -0.431 0.000 0.995 347 R CB -0.252 29.667 30.300 -0.637 0.000 0.875 347 R HN 0.251 nan 8.270 nan 0.000 0.462 348 F N 1.062 121.010 119.950 -0.004 0.000 2.664 348 F HA 0.329 4.846 4.527 -0.016 0.000 0.303 348 F C 0.762 176.568 175.800 0.011 0.000 1.092 348 F CA -1.111 56.893 58.000 0.006 0.000 1.305 348 F CB 0.135 39.135 39.000 -0.000 0.000 1.054 348 F HN -0.079 nan 8.300 nan 0.000 0.565 349 L N 2.160 123.457 121.223 0.122 0.000 2.513 349 L HA 0.060 4.390 4.340 -0.017 0.000 0.272 349 L C 0.460 177.406 176.870 0.126 0.000 1.187 349 L CA -0.194 54.704 54.840 0.097 0.000 0.895 349 L CB 0.306 42.398 42.059 0.056 0.000 1.147 349 L HN -0.160 nan 8.230 nan 0.000 0.483 350 K N 5.763 126.227 120.400 0.107 0.000 2.315 350 K HA -0.031 4.278 4.320 -0.017 0.000 0.291 350 K C 0.428 177.103 176.600 0.126 0.000 1.074 350 K CA 0.337 56.689 56.287 0.109 0.000 0.936 350 K CB 0.374 32.908 32.500 0.056 0.000 1.049 350 K HN 0.552 nan 8.250 nan 0.000 0.471 351 F N 1.545 121.501 119.950 0.010 0.000 2.149 351 F HA -0.072 4.444 4.527 -0.017 0.000 0.294 351 F C 0.525 176.314 175.800 -0.019 0.000 1.095 351 F CA 0.955 58.945 58.000 -0.018 0.000 1.276 351 F CB 0.661 39.661 39.000 0.001 0.000 1.023 351 F HN 0.395 nan 8.300 nan 0.000 0.480 352 D N 0.018 120.449 120.400 0.053 0.000 2.452 352 D HA 0.071 4.700 4.640 -0.017 0.000 0.226 352 D C -0.944 175.369 176.300 0.022 0.000 1.366 352 D CA -0.129 53.837 54.000 -0.056 0.000 0.986 352 D CB 1.188 41.945 40.800 -0.071 0.000 1.420 352 D HN 0.123 nan 8.370 nan 0.000 0.583 353 E N 2.344 122.537 120.200 -0.012 0.000 2.320 353 E HA 0.135 4.474 4.350 -0.017 0.000 0.189 353 E C -0.237 176.352 176.600 -0.018 0.000 1.100 353 E CA 0.140 56.542 56.400 0.004 0.000 1.009 353 E CB 0.132 29.826 29.700 -0.009 0.000 1.145 353 E HN 0.217 nan 8.360 nan 0.000 0.454 354 R N 0.007 120.494 120.500 -0.022 0.000 2.460 354 R HA 0.580 4.909 4.340 -0.017 0.000 0.303 354 R C -0.373 175.850 176.300 -0.127 0.000 0.968 354 R CA -0.602 55.438 56.100 -0.100 0.000 0.889 354 R CB 1.654 31.894 30.300 -0.100 0.000 1.123 354 R HN 0.119 nan 8.270 nan 0.000 0.455 355 A N 3.296 125.847 122.820 -0.449 0.000 2.498 355 A HA 0.348 4.657 4.320 -0.017 0.000 0.239 355 A C -0.317 176.748 177.584 -0.865 0.000 1.068 355 A CA 0.338 51.944 52.037 -0.720 0.000 0.766 355 A CB -0.177 18.163 19.000 -1.100 0.000 1.003 355 A HN 0.676 nan 8.150 nan 0.000 0.497 356 F N -0.687 118.847 119.950 -0.695 0.000 2.713 356 F HA 0.796 5.312 4.527 -0.017 0.000 0.311 356 F C -0.916 174.801 175.800 -0.138 0.000 1.141 356 F CA -1.096 56.652 58.000 -0.420 0.000 0.939 356 F CB 1.580 40.463 39.000 -0.194 0.000 1.325 356 F HN 0.607 nan 8.300 nan 0.000 0.453 357 K N 0.976 121.483 120.400 0.179 0.000 2.464 357 K HA 0.684 4.993 4.320 -0.017 0.000 0.253 357 K C -1.754 174.980 176.600 0.223 0.000 0.933 357 K CA -0.497 55.871 56.287 0.136 0.000 0.801 357 K CB 2.442 35.065 32.500 0.205 0.000 1.271 357 K HN 1.035 nan 8.250 nan 0.000 0.430 358 T N 1.935 116.574 114.554 0.142 0.000 2.916 358 T HA 0.536 4.876 4.350 -0.017 0.000 0.305 358 T C -1.676 173.161 174.700 0.229 0.000 1.119 358 T CA -0.689 61.504 62.100 0.155 0.000 1.008 358 T CB 1.147 70.014 68.868 -0.002 0.000 1.129 358 T HN 0.608 nan 8.240 nan 0.000 0.480 359 K N 1.586 122.158 120.400 0.288 0.000 2.444 359 K HA 0.842 5.152 4.320 -0.017 0.000 0.252 359 K C -1.585 175.131 176.600 0.194 0.000 0.993 359 K CA -1.013 55.415 56.287 0.234 0.000 0.847 359 K CB 2.664 35.153 32.500 -0.018 0.000 1.340 359 K HN 0.387 nan 8.250 nan 0.000 0.446 360 V N 0.734 120.678 119.914 0.051 0.000 3.007 360 V HA 0.458 4.568 4.120 -0.017 0.000 0.311 360 V C -1.719 174.443 176.094 0.114 0.000 1.120 360 V CA -0.529 61.661 62.300 -0.182 0.000 0.980 360 V CB 2.244 33.664 31.823 -0.671 0.000 1.033 360 V HN 0.723 nan 8.190 nan 0.000 0.429 361 D N 3.397 123.791 120.400 -0.009 0.000 2.601 361 D HA 0.535 5.165 4.640 -0.017 0.000 0.230 361 D C -1.363 174.851 176.300 -0.145 0.000 1.106 361 D CA -0.280 53.729 54.000 0.014 0.000 0.873 361 D CB 2.290 43.142 40.800 0.086 0.000 1.515 361 D HN 0.248 nan 8.370 nan 0.000 0.468 362 L N 1.140 122.246 121.223 -0.195 0.000 2.334 362 L HA 0.522 4.852 4.340 -0.017 0.000 0.273 362 L C 0.763 177.487 176.870 -0.245 0.000 1.013 362 L CA -0.549 54.101 54.840 -0.316 0.000 0.816 362 L CB 1.388 43.170 42.059 -0.463 0.000 1.278 362 L HN 0.515 nan 8.230 nan 0.000 0.431 363 T N -1.572 112.829 114.554 -0.254 0.000 2.924 363 T HA 0.604 4.943 4.350 -0.017 0.000 0.291 363 T C 0.340 174.948 174.700 -0.153 0.000 1.045 363 T CA -0.669 61.328 62.100 -0.172 0.000 1.015 363 T CB 2.677 71.460 68.868 -0.143 0.000 1.103 363 T HN 0.631 nan 8.240 nan 0.000 0.496 364 K N -0.050 120.289 120.400 -0.101 0.000 2.474 364 K HA 0.252 4.561 4.320 -0.017 0.000 0.202 364 K C 0.180 176.754 176.600 -0.043 0.000 1.248 364 K CA 0.026 56.274 56.287 -0.065 0.000 0.946 364 K CB 0.860 33.332 32.500 -0.047 0.000 1.102 364 K HN 0.656 nan 8.250 nan 0.000 0.541 365 E N 1.430 121.605 120.200 -0.042 0.000 2.244 365 E HA 0.288 4.628 4.350 -0.017 0.000 0.266 365 E C -2.764 173.815 176.600 -0.035 0.000 0.914 365 E CA -2.477 53.913 56.400 -0.017 0.000 0.794 365 E CB 1.583 31.284 29.700 0.001 0.000 1.210 365 E HN -0.177 nan 8.360 nan 0.000 0.414 366 P HA -0.021 nan 4.420 nan 0.000 0.267 366 P C -0.766 176.503 177.300 -0.052 0.000 1.200 366 P CA 0.219 63.279 63.100 -0.067 0.000 0.772 366 P CB 0.426 32.181 31.700 0.093 0.000 0.855 367 L N 5.060 126.204 121.223 -0.132 0.000 2.331 367 L HA 0.295 4.624 4.340 -0.017 0.000 0.278 367 L C -1.715 175.124 176.870 -0.051 0.000 1.106 367 L CA -1.946 52.770 54.840 -0.207 0.000 0.824 367 L CB 0.395 42.148 42.059 -0.509 0.000 1.142 367 L HN 0.248 nan 8.230 nan 0.000 0.443 368 P HA 0.007 nan 4.420 nan 0.000 0.272 368 P C 0.505 177.807 177.300 0.004 0.000 1.230 368 P CA -0.308 62.794 63.100 0.003 0.000 0.788 368 P CB 1.183 32.828 31.700 -0.092 0.000 0.949 369 S N 2.154 117.851 115.700 -0.005 0.000 2.374 369 S HA -0.215 4.244 4.470 -0.017 0.000 0.227 369 S C 1.617 176.260 174.600 0.071 0.000 1.037 369 S CA 1.958 60.163 58.200 0.007 0.000 1.024 369 S CB -0.822 62.230 63.200 -0.246 0.000 0.861 369 S HN 0.635 nan 8.310 nan 0.000 0.456 370 K N 0.554 120.931 120.400 -0.038 0.000 2.280 370 K HA 0.095 4.405 4.320 -0.017 0.000 0.202 370 K C 2.077 178.677 176.600 0.002 0.000 1.047 370 K CA 1.163 57.456 56.287 0.010 0.000 0.942 370 K CB -0.456 32.039 32.500 -0.007 0.000 0.739 370 K HN 0.368 nan 8.250 nan 0.000 0.457 371 A N 1.259 123.862 122.820 -0.362 0.000 1.872 371 A HA -0.001 4.309 4.320 -0.017 0.000 0.214 371 A C 1.767 179.294 177.584 -0.094 0.000 1.187 371 A CA 0.797 52.473 52.037 -0.601 0.000 0.614 371 A CB -0.631 17.555 19.000 -1.358 0.000 0.826 371 A HN 0.292 nan 8.150 nan 0.000 0.442 372 F N -1.679 118.296 119.950 0.042 0.000 2.171 372 F HA -0.104 4.412 4.527 -0.017 0.000 0.300 372 F C 2.175 178.049 175.800 0.122 0.000 1.090 372 F CA 1.147 59.209 58.000 0.102 0.000 1.293 372 F CB -0.996 38.073 39.000 0.115 0.000 1.013 372 F HN 0.402 nan 8.300 nan 0.000 0.486 373 Y N 0.572 120.992 120.300 0.199 0.000 2.145 373 Y HA -0.146 4.394 4.550 -0.017 0.000 0.286 373 Y C 2.580 178.513 175.900 0.055 0.000 1.145 373 Y CA 1.719 59.885 58.100 0.110 0.000 1.148 373 Y CB -0.843 37.662 38.460 0.074 0.000 0.981 373 Y HN 0.017 nan 8.280 nan 0.000 0.507 374 G N -0.187 108.761 108.800 0.247 0.000 2.422 374 G HA2 -0.269 3.680 3.960 -0.017 0.000 0.218 374 G HA3 -0.269 3.680 3.960 -0.017 0.000 0.218 374 G C 1.533 176.257 174.900 -0.293 0.000 1.146 374 G CA 0.980 46.005 45.100 -0.125 0.000 0.769 374 G HN 0.406 nan 8.290 nan 0.000 0.547 375 L N 0.501 121.743 121.223 0.032 0.000 2.046 375 L HA 0.118 4.447 4.340 -0.017 0.000 0.208 375 L C 2.723 179.621 176.870 0.047 0.000 1.077 375 L CA 1.319 56.210 54.840 0.084 0.000 0.747 375 L CB -0.542 41.671 42.059 0.257 0.000 0.896 375 L HN 0.209 nan 8.230 nan 0.000 0.432 376 L N -0.898 120.337 121.223 0.021 0.000 2.083 376 L HA -0.209 4.121 4.340 -0.017 0.000 0.209 376 L C 2.488 179.304 176.870 -0.090 0.000 1.083 376 L CA 1.324 56.133 54.840 -0.052 0.000 0.752 376 L CB -0.588 41.402 42.059 -0.115 0.000 0.899 376 L HN 0.337 nan 8.230 nan 0.000 0.433 377 E N 0.024 120.132 120.200 -0.153 0.000 2.085 377 E HA -0.240 4.100 4.350 -0.017 0.000 0.194 377 E C 2.363 178.950 176.600 -0.022 0.000 0.994 377 E CA 1.212 57.537 56.400 -0.125 0.000 0.801 377 E CB -0.035 29.585 29.700 -0.133 0.000 0.743 377 E HN 0.426 nan 8.360 nan 0.000 0.453 378 R N 0.301 120.796 120.500 -0.009 0.000 2.092 378 R HA -0.063 4.266 4.340 -0.017 0.000 0.231 378 R C 2.462 179.034 176.300 0.453 0.000 1.119 378 R CA 0.775 56.977 56.100 0.171 0.000 0.970 378 R CB -0.231 30.051 30.300 -0.030 0.000 0.864 378 R HN 0.144 nan 8.270 nan 0.000 0.440 379 L N 0.671 122.093 121.223 0.333 0.000 2.083 379 L HA -0.182 4.148 4.340 -0.017 0.000 0.209 379 L C 2.554 179.480 176.870 0.094 0.000 1.083 379 L CA 1.508 56.511 54.840 0.271 0.000 0.752 379 L CB -0.481 41.665 42.059 0.144 0.000 0.899 379 L HN 0.298 nan 8.230 nan 0.000 0.433 380 S N -0.590 115.143 115.700 0.056 0.000 2.447 380 S HA -0.155 4.305 4.470 -0.017 0.000 0.233 380 S C 1.806 176.423 174.600 0.028 0.000 1.006 380 S CA 0.747 58.959 58.200 0.019 0.000 0.957 380 S CB -0.206 62.986 63.200 -0.014 0.000 0.773 380 S HN 0.415 nan 8.310 nan 0.000 0.507 381 K N 0.288 120.725 120.400 0.061 0.000 2.400 381 K HA 0.209 4.519 4.320 -0.017 0.000 0.194 381 K C 0.212 176.799 176.600 -0.023 0.000 1.033 381 K CA 0.494 56.812 56.287 0.052 0.000 1.021 381 K CB 0.218 32.786 32.500 0.113 0.000 0.808 381 K HN 0.288 nan 8.250 nan 0.000 0.505 382 E N 0.493 120.614 120.200 -0.131 0.000 2.731 382 E HA 0.165 4.505 4.350 -0.017 0.000 0.248 382 E C -2.484 173.941 176.600 -0.293 0.000 1.084 382 E CA -2.431 53.741 56.400 -0.380 0.000 0.776 382 E CB 1.132 30.096 29.700 -1.227 0.000 1.404 382 E HN -0.193 nan 8.360 nan 0.000 0.395 383 P HA -0.023 nan 4.420 nan 0.000 0.225 383 P C 0.222 177.527 177.300 0.008 0.000 1.148 383 P CA 0.761 63.865 63.100 0.007 0.000 0.779 383 P CB 0.332 32.056 31.700 0.041 0.000 0.780 384 N N -1.066 117.582 118.700 -0.086 0.000 2.467 384 N HA 0.047 4.777 4.740 -0.017 0.000 0.184 384 N C 1.032 176.488 175.510 -0.091 0.000 1.106 384 N CA 0.377 53.362 53.050 -0.109 0.000 0.892 384 N CB -0.304 37.983 38.487 -0.333 0.000 0.969 384 N HN 0.084 nan 8.380 nan 0.000 0.454 385 G N -0.201 108.446 108.800 -0.254 0.000 2.425 385 G HA2 0.528 4.478 3.960 -0.017 0.000 0.302 385 G HA3 0.528 4.478 3.960 -0.017 0.000 0.302 385 G C -0.650 174.398 174.900 0.247 0.000 1.159 385 G CA -0.454 44.527 45.100 -0.199 0.000 0.865 385 G HN 0.190 nan 8.290 nan 0.000 0.515 386 F N -0.082 119.971 119.950 0.173 0.000 2.711 386 F HA 0.776 5.293 4.527 -0.017 0.000 0.313 386 F C -0.757 175.136 175.800 0.154 0.000 1.141 386 F CA -1.745 56.340 58.000 0.140 0.000 0.941 386 F CB 1.477 40.608 39.000 0.218 0.000 1.349 386 F HN 0.615 nan 8.300 nan 0.000 0.464 387 I N 0.254 120.926 120.570 0.169 0.000 2.785 387 I HA 0.980 5.140 4.170 -0.017 0.000 0.302 387 I C -1.257 174.886 176.117 0.043 0.000 1.069 387 I CA -1.325 59.993 61.300 0.030 0.000 1.045 387 I CB 2.115 40.134 38.000 0.032 0.000 1.236 387 I HN 0.982 nan 8.210 nan 0.000 0.429 388 A N 6.242 129.032 122.820 -0.050 0.000 2.343 388 A HA 0.836 5.145 4.320 -0.017 0.000 0.308 388 A C -1.047 176.464 177.584 -0.122 0.000 1.092 388 A CA -0.574 51.424 52.037 -0.065 0.000 0.751 388 A CB 1.223 20.211 19.000 -0.020 0.000 1.203 388 A HN 0.733 nan 8.150 nan 0.000 0.452 389 L N 3.061 124.180 121.223 -0.173 0.000 2.356 389 L HA 0.534 4.863 4.340 -0.017 0.000 0.277 389 L C -0.506 176.421 176.870 0.096 0.000 0.996 389 L CA -0.670 54.079 54.840 -0.151 0.000 0.822 389 L CB 1.836 43.536 42.059 -0.598 0.000 1.256 389 L HN 0.654 nan 8.230 nan 0.000 0.413 390 N N 1.443 120.327 118.700 0.308 0.000 2.249 390 N HA 0.468 5.198 4.740 -0.017 0.000 0.296 390 N C -0.534 175.255 175.510 0.464 0.000 1.051 390 N CA -0.399 52.926 53.050 0.458 0.000 0.815 390 N CB 2.927 41.624 38.487 0.350 0.000 1.487 390 N HN 0.740 nan 8.380 nan 0.000 0.475 391 G N 0.907 109.976 108.800 0.448 0.000 2.400 391 G HA2 0.485 4.434 3.960 -0.017 0.000 0.301 391 G HA3 0.485 4.434 3.960 -0.017 0.000 0.301 391 G C -0.263 174.950 174.900 0.521 0.000 1.154 391 G CA -0.079 45.163 45.100 0.236 0.000 0.852 391 G HN 0.285 nan 8.290 nan 0.000 0.511 392 F N 0.804 120.803 119.950 0.080 0.000 2.589 392 F HA 0.734 5.251 4.527 -0.016 0.000 0.207 392 F C 1.564 177.417 175.800 0.089 0.000 1.028 392 F CA -0.038 58.045 58.000 0.137 0.000 1.009 392 F CB -0.488 38.576 39.000 0.107 0.000 2.173 392 F HN 0.948 nan 8.300 nan 0.000 0.637 393 G N -0.507 108.464 108.800 0.285 0.000 2.681 393 G HA2 0.349 4.299 3.960 -0.017 0.000 0.220 393 G HA3 0.349 4.299 3.960 -0.017 0.000 0.220 393 G C 0.424 175.375 174.900 0.085 0.000 1.353 393 G CA -0.054 45.130 45.100 0.141 0.000 0.872 393 G HN 1.791 nan 8.290 nan 0.000 0.557 394 G N -1.259 107.569 108.800 0.046 0.000 2.596 394 G HA2 -0.105 3.844 3.960 -0.017 0.000 0.295 394 G HA3 -0.105 3.844 3.960 -0.017 0.000 0.295 394 G C 1.187 176.074 174.900 -0.021 0.000 1.240 394 G CA 1.985 47.088 45.100 0.004 0.000 0.985 394 G HN 2.166 nan 8.290 nan 0.000 0.555 395 Q N -0.496 119.263 119.800 -0.069 0.000 2.291 395 Q HA 0.105 4.435 4.340 -0.017 0.000 0.205 395 Q C 2.728 178.695 176.000 -0.056 0.000 0.970 395 Q CA 2.258 58.010 55.803 -0.084 0.000 0.876 395 Q CB -0.210 28.446 28.738 -0.136 0.000 0.935 395 Q HN 0.555 nan 8.270 nan 0.000 0.455 396 M N -0.673 118.901 119.600 -0.043 0.000 2.358 396 M HA -0.050 4.419 4.480 -0.017 0.000 0.264 396 M C 1.579 177.924 176.300 0.076 0.000 1.064 396 M CA 1.097 56.391 55.300 -0.010 0.000 1.093 396 M CB -0.521 32.029 32.600 -0.084 0.000 1.401 396 M HN 0.095 nan 8.290 nan 0.000 0.440 397 S N -0.262 115.480 115.700 0.069 0.000 2.558 397 S HA 0.065 4.525 4.470 -0.017 0.000 0.217 397 S C 1.588 176.214 174.600 0.043 0.000 0.975 397 S CA 0.381 58.628 58.200 0.079 0.000 0.912 397 S CB 0.206 63.450 63.200 0.075 0.000 0.776 397 S HN 0.461 nan 8.310 nan 0.000 0.526 398 K N 0.462 120.867 120.400 0.009 0.000 2.354 398 K HA 0.293 4.602 4.320 -0.017 0.000 0.194 398 K C -0.073 176.504 176.600 -0.039 0.000 1.038 398 K CA 0.208 56.484 56.287 -0.018 0.000 1.052 398 K CB 0.446 32.922 32.500 -0.042 0.000 0.861 398 K HN 0.288 nan 8.250 nan 0.000 0.535 399 I N 2.470 123.021 120.570 -0.032 0.000 2.395 399 I HA -0.005 4.154 4.170 -0.017 0.000 0.289 399 I C 0.598 176.748 176.117 0.056 0.000 1.023 399 I CA -0.513 60.754 61.300 -0.055 0.000 1.350 399 I CB 1.363 39.334 38.000 -0.047 0.000 1.409 399 I HN 0.057 nan 8.210 nan 0.000 0.507 400 S N 3.250 118.999 115.700 0.081 0.000 2.579 400 S HA 0.017 4.476 4.470 -0.017 0.000 0.275 400 S C 1.277 176.003 174.600 0.211 0.000 1.345 400 S CA -0.225 58.061 58.200 0.143 0.000 1.031 400 S CB 1.253 64.546 63.200 0.156 0.000 0.892 400 S HN 0.790 nan 8.310 nan 0.000 0.529 401 S N 0.306 116.111 115.700 0.176 0.000 2.442 401 S HA -0.155 4.305 4.470 -0.017 0.000 0.236 401 S C 0.954 175.697 174.600 0.238 0.000 1.007 401 S CA 0.964 59.271 58.200 0.178 0.000 0.965 401 S CB -0.618 62.656 63.200 0.123 0.000 0.773 401 S HN 0.925 nan 8.310 nan 0.000 0.504 402 D N -0.557 120.006 120.400 0.272 0.000 2.440 402 D HA 0.080 4.710 4.640 -0.017 0.000 0.216 402 D C 1.091 177.680 176.300 0.482 0.000 1.150 402 D CA -0.600 53.615 54.000 0.359 0.000 0.832 402 D CB -0.719 40.207 40.800 0.210 0.000 0.992 402 D HN 0.345 nan 8.370 nan 0.000 0.502 403 F N 2.927 123.043 119.950 0.276 0.000 2.095 403 F HA -0.067 4.449 4.527 -0.018 0.000 0.298 403 F C 0.839 176.854 175.800 0.358 0.000 1.104 403 F CA 1.768 59.924 58.000 0.260 0.000 1.232 403 F CB -0.271 38.821 39.000 0.154 0.000 0.987 403 F HN 0.045 nan 8.300 nan 0.000 0.475 404 T N -4.391 110.252 114.554 0.148 0.000 2.864 404 T HA 0.406 4.745 4.350 -0.017 0.000 0.289 404 T C -2.114 172.449 174.700 -0.228 0.000 1.082 404 T CA -1.679 60.248 62.100 -0.290 0.000 1.009 404 T CB 1.400 70.078 68.868 -0.317 0.000 1.234 404 T HN -0.324 nan 8.240 nan 0.000 0.526 405 P HA 0.070 nan 4.420 nan 0.000 0.220 405 P C 0.199 177.594 177.300 0.158 0.000 1.148 405 P CA 0.376 63.228 63.100 -0.414 0.000 0.803 405 P CB -0.161 31.117 31.700 -0.704 0.000 0.782 406 F N 2.549 122.537 119.950 0.063 0.000 2.533 406 F HA 0.105 4.622 4.527 -0.016 0.000 0.378 406 F C -1.518 174.306 175.800 0.040 0.000 1.070 406 F CA -1.847 56.220 58.000 0.111 0.000 1.172 406 F CB 0.611 39.669 39.000 0.096 0.000 1.085 406 F HN 0.010 nan 8.300 nan 0.000 0.552 407 P HA -0.013 nan 4.420 nan 0.000 0.264 407 P C -0.457 176.631 177.300 -0.353 0.000 1.259 407 P CA 0.441 63.342 63.100 -0.331 0.000 0.841 407 P CB 0.226 31.733 31.700 -0.321 0.000 1.232 408 H N 1.284 120.115 119.070 -0.399 0.000 2.982 408 H HA 0.287 4.833 4.556 -0.018 0.000 0.261 408 H C 1.020 176.523 175.328 0.292 0.000 1.603 408 H CA 0.046 56.033 56.048 -0.102 0.000 1.398 408 H CB 0.456 30.084 29.762 -0.223 0.000 1.693 408 H HN 0.042 nan 8.280 nan 0.000 0.535 409 R N 0.486 121.167 120.500 0.302 0.000 2.495 409 R HA 0.158 4.488 4.340 -0.017 0.000 0.109 409 R C 0.557 176.999 176.300 0.237 0.000 1.362 409 R CA -0.820 55.456 56.100 0.293 0.000 1.165 409 R CB -0.524 29.904 30.300 0.212 0.000 1.003 409 R HN 0.303 nan 8.270 nan 0.000 0.412 410 S N -0.061 115.734 115.700 0.158 0.000 2.573 410 S HA 0.243 4.702 4.470 -0.017 0.000 0.297 410 S C 1.086 175.752 174.600 0.110 0.000 1.280 410 S CA 1.441 59.713 58.200 0.120 0.000 1.061 410 S CB -0.108 63.143 63.200 0.084 0.000 0.812 410 S HN 0.682 nan 8.310 nan 0.000 0.500 411 G N 3.309 112.163 108.800 0.090 0.000 2.268 411 G HA2 -0.227 3.723 3.960 -0.017 0.000 0.240 411 G HA3 -0.227 3.723 3.960 -0.017 0.000 0.240 411 G C 0.219 175.147 174.900 0.047 0.000 1.010 411 G CA 0.250 45.387 45.100 0.062 0.000 0.618 411 G HN 0.936 nan 8.290 nan 0.000 0.516 412 T N 1.337 115.942 114.554 0.086 0.000 2.794 412 T HA 0.542 4.881 4.350 -0.017 0.000 0.296 412 T C 1.415 176.099 174.700 -0.027 0.000 0.949 412 T CA 0.137 62.242 62.100 0.008 0.000 1.101 412 T CB 1.695 70.616 68.868 0.089 0.000 0.905 412 T HN 0.408 nan 8.240 nan 0.000 0.516 413 R N 2.030 122.449 120.500 -0.136 0.000 2.072 413 R HA 0.352 4.682 4.340 -0.017 0.000 0.214 413 R C 0.229 176.406 176.300 -0.204 0.000 1.168 413 R CA 0.482 56.508 56.100 -0.123 0.000 1.020 413 R CB 0.136 30.360 30.300 -0.128 0.000 0.914 413 R HN 0.433 nan 8.270 nan 0.000 0.449 414 L N 0.338 121.375 121.223 -0.310 0.000 2.350 414 L HA 0.534 4.864 4.340 -0.017 0.000 0.260 414 L C -0.890 175.678 176.870 -0.503 0.000 1.015 414 L CA -0.905 53.763 54.840 -0.286 0.000 0.821 414 L CB 2.333 44.353 42.059 -0.065 0.000 1.370 414 L HN 0.014 nan 8.230 nan 0.000 0.416 415 M N 2.064 121.418 119.600 -0.409 0.000 2.243 415 M HA 0.627 5.096 4.480 -0.017 0.000 0.324 415 M C -1.806 174.387 176.300 -0.178 0.000 1.031 415 M CA -0.538 54.549 55.300 -0.355 0.000 0.949 415 M CB 1.766 34.146 32.600 -0.366 0.000 1.615 415 M HN 0.325 nan 8.290 nan 0.000 0.430 416 V N 4.444 124.219 119.914 -0.231 0.000 2.407 416 V HA 0.426 4.535 4.120 -0.017 0.000 0.291 416 V C -0.684 175.075 176.094 -0.559 0.000 1.018 416 V CA -0.658 61.455 62.300 -0.312 0.000 0.842 416 V CB 1.626 33.280 31.823 -0.282 0.000 0.996 416 V HN 0.859 nan 8.190 nan 0.000 0.426 417 E N 3.806 123.725 120.200 -0.469 0.000 2.179 417 E HA 0.564 4.904 4.350 -0.017 0.000 0.275 417 E C -1.797 174.509 176.600 -0.490 0.000 0.945 417 E CA -0.619 55.527 56.400 -0.423 0.000 0.792 417 E CB 1.422 31.074 29.700 -0.079 0.000 1.125 417 E HN 0.638 nan 8.360 nan 0.000 0.397 418 Y N 3.469 123.783 120.300 0.024 0.000 2.341 418 Y HA 0.484 5.024 4.550 -0.017 0.000 0.338 418 Y C -0.410 175.477 175.900 -0.021 0.000 0.965 418 Y CA -0.932 57.178 58.100 0.017 0.000 1.108 418 Y CB 0.966 39.460 38.460 0.057 0.000 1.180 418 Y HN 0.333 nan 8.280 nan 0.000 0.458 419 I N 3.253 123.788 120.570 -0.059 0.000 2.545 419 I HA 0.557 4.716 4.170 -0.017 0.000 0.292 419 I C -1.013 175.083 176.117 -0.036 0.000 1.040 419 I CA -0.902 60.266 61.300 -0.219 0.000 1.068 419 I CB 2.221 39.680 38.000 -0.903 0.000 1.251 419 I HN 0.416 nan 8.210 nan 0.000 0.424 420 V N 5.043 125.058 119.914 0.168 0.000 2.588 420 V HA 0.958 5.068 4.120 -0.017 0.000 0.304 420 V C -0.876 175.364 176.094 0.244 0.000 1.042 420 V CA -0.165 62.249 62.300 0.191 0.000 0.877 420 V CB 1.542 33.552 31.823 0.313 0.000 0.996 420 V HN 0.943 nan 8.190 nan 0.000 0.425 421 A N 5.982 128.893 122.820 0.151 0.000 2.515 421 A HA 1.003 5.313 4.320 -0.017 0.000 0.298 421 A C -1.588 176.024 177.584 0.046 0.000 1.059 421 A CA -0.468 51.623 52.037 0.090 0.000 0.698 421 A CB 1.539 20.620 19.000 0.135 0.000 1.289 421 A HN 1.725 nan 8.150 nan 0.000 0.404 422 W N 1.465 122.679 121.300 -0.144 0.000 3.213 422 W HA 0.655 5.306 4.660 -0.016 0.000 0.318 422 W C -0.656 175.860 176.519 -0.006 0.000 1.248 422 W CA -0.727 56.529 57.345 -0.148 0.000 1.187 422 W CB 0.481 29.820 29.460 -0.202 0.000 1.403 422 W HN 0.860 nan 8.180 nan 0.000 0.556 423 N N 0.188 118.995 118.700 0.179 0.000 2.447 423 N HA 0.187 4.916 4.740 -0.017 0.000 0.271 423 N C 0.824 176.468 175.510 0.223 0.000 1.226 423 N CA -0.354 52.758 53.050 0.103 0.000 0.980 423 N CB 0.761 39.287 38.487 0.066 0.000 1.206 423 N HN 0.827 nan 8.380 nan 0.000 0.558 424 Q N -0.476 119.405 119.800 0.136 0.000 2.181 424 Q HA -0.183 4.147 4.340 -0.017 0.000 0.205 424 Q C 1.089 177.187 176.000 0.163 0.000 0.980 424 Q CA 1.912 57.809 55.803 0.156 0.000 0.862 424 Q CB -0.205 28.584 28.738 0.085 0.000 0.905 424 Q HN 0.807 nan 8.270 nan 0.000 0.429 425 S N -0.829 114.951 115.700 0.134 0.000 2.515 425 S HA -0.075 4.384 4.470 -0.017 0.000 0.231 425 S C 0.872 175.550 174.600 0.130 0.000 0.987 425 S CA 0.866 59.130 58.200 0.106 0.000 0.936 425 S CB 0.061 63.306 63.200 0.076 0.000 0.766 425 S HN 0.454 nan 8.310 nan 0.000 0.528 426 E N 0.399 120.728 120.200 0.216 0.000 2.501 426 E HA 0.165 4.504 4.350 -0.017 0.000 0.200 426 E C 1.474 178.182 176.600 0.180 0.000 1.016 426 E CA -0.219 56.321 56.400 0.234 0.000 0.921 426 E CB 0.056 29.991 29.700 0.392 0.000 1.034 426 E HN 0.599 nan 8.360 nan 0.000 0.468 427 Q N 1.067 120.983 119.800 0.193 0.000 2.234 427 Q HA -0.224 4.105 4.340 -0.017 0.000 0.206 427 Q C 1.908 177.883 176.000 -0.042 0.000 0.980 427 Q CA 1.626 57.511 55.803 0.135 0.000 0.869 427 Q CB -0.222 28.628 28.738 0.187 0.000 0.912 427 Q HN 0.195 nan 8.270 nan 0.000 0.436 428 K N 0.521 120.886 120.400 -0.058 0.000 2.362 428 K HA -0.105 4.205 4.320 -0.017 0.000 0.200 428 K C 1.199 177.661 176.600 -0.230 0.000 1.046 428 K CA 1.189 57.410 56.287 -0.109 0.000 0.952 428 K CB 0.121 32.575 32.500 -0.077 0.000 0.753 428 K HN -0.034 nan 8.250 nan 0.000 0.466 429 K N 0.905 121.083 120.400 -0.371 0.000 2.404 429 K HA 0.057 4.366 4.320 -0.017 0.000 0.194 429 K C 1.463 177.523 176.600 -0.900 0.000 1.023 429 K CA -0.003 55.857 56.287 -0.712 0.000 1.094 429 K CB 0.256 32.113 32.500 -1.073 0.000 0.841 429 K HN 0.190 nan 8.250 nan 0.000 0.523 430 K N 1.243 121.281 120.400 -0.603 0.000 2.059 430 K HA -0.193 4.116 4.320 -0.017 0.000 0.212 430 K C 1.498 177.875 176.600 -0.372 0.000 1.050 430 K CA 1.962 57.885 56.287 -0.607 0.000 0.927 430 K CB -0.074 32.214 32.500 -0.353 0.000 0.714 430 K HN -0.010 nan 8.250 nan 0.000 0.447 431 T N 0.891 115.290 114.554 -0.259 0.000 2.746 431 T HA -0.181 4.159 4.350 -0.017 0.000 0.267 431 T C 1.692 176.305 174.700 -0.145 0.000 1.039 431 T CA 1.702 63.712 62.100 -0.149 0.000 1.142 431 T CB -0.207 68.595 68.868 -0.110 0.000 0.866 431 T HN 0.470 nan 8.240 nan 0.000 0.444 432 E N -0.067 119.978 120.200 -0.258 0.000 2.077 432 E HA -0.139 4.201 4.350 -0.017 0.000 0.193 432 E C 1.783 178.326 176.600 -0.096 0.000 0.989 432 E CA 0.981 57.250 56.400 -0.218 0.000 0.800 432 E CB -0.159 29.329 29.700 -0.354 0.000 0.746 432 E HN 0.419 nan 8.360 nan 0.000 0.452 433 F N 1.154 121.021 119.950 -0.138 0.000 2.095 433 F HA -0.165 4.352 4.527 -0.017 0.000 0.298 433 F C 2.285 178.142 175.800 0.095 0.000 1.104 433 F CA 0.976 58.930 58.000 -0.078 0.000 1.232 433 F CB -0.723 38.077 39.000 -0.335 0.000 0.987 433 F HN 0.071 nan 8.300 nan 0.000 0.475 434 L N -0.533 120.806 121.223 0.194 0.000 2.093 434 L HA -0.203 4.126 4.340 -0.017 0.000 0.208 434 L C 2.111 179.078 176.870 0.161 0.000 1.085 434 L CA 1.695 56.644 54.840 0.183 0.000 0.755 434 L CB -0.747 41.375 42.059 0.104 0.000 0.904 434 L HN 0.114 nan 8.230 nan 0.000 0.435 435 D N -0.459 120.016 120.400 0.126 0.000 2.117 435 D HA -0.266 4.364 4.640 -0.017 0.000 0.197 435 D C 2.003 178.391 176.300 0.147 0.000 0.987 435 D CA 1.100 55.159 54.000 0.099 0.000 0.829 435 D CB -0.116 40.720 40.800 0.061 0.000 0.961 435 D HN 0.318 nan 8.370 nan 0.000 0.460 436 W N 0.429 121.757 121.300 0.047 0.000 2.355 436 W HA -0.166 4.484 4.660 -0.018 0.000 0.309 436 W C 1.956 178.513 176.519 0.064 0.000 1.206 436 W CA 1.237 58.618 57.345 0.061 0.000 1.284 436 W CB -0.604 28.919 29.460 0.105 0.000 1.145 436 W HN 0.135 nan 8.180 nan 0.000 0.502 437 L N 1.380 122.752 121.223 0.247 0.000 2.046 437 L HA -0.171 4.158 4.340 -0.017 0.000 0.208 437 L C 2.442 179.241 176.870 -0.119 0.000 1.077 437 L CA 2.702 57.545 54.840 0.005 0.000 0.747 437 L CB -1.331 40.878 42.059 0.249 0.000 0.896 437 L HN 0.268 nan 8.230 nan 0.000 0.432 438 E N -0.504 119.684 120.200 -0.019 0.000 2.085 438 E HA -0.275 4.065 4.350 -0.017 0.000 0.194 438 E C 2.085 178.655 176.600 -0.049 0.000 0.994 438 E CA 1.498 57.892 56.400 -0.009 0.000 0.801 438 E CB -0.030 29.682 29.700 0.021 0.000 0.743 438 E HN 0.533 nan 8.360 nan 0.000 0.453 439 K N -0.032 120.295 120.400 -0.122 0.000 2.103 439 K HA -0.073 4.237 4.320 -0.017 0.000 0.204 439 K C 2.170 178.640 176.600 -0.217 0.000 1.052 439 K CA 1.024 57.225 56.287 -0.142 0.000 0.945 439 K CB 0.094 32.511 32.500 -0.137 0.000 0.722 439 K HN 0.057 nan 8.250 nan 0.000 0.443 440 V N 0.649 120.297 119.914 -0.442 0.000 2.295 440 V HA -0.268 3.841 4.120 -0.017 0.000 0.246 440 V C 2.025 177.910 176.094 -0.348 0.000 1.049 440 V CA 1.659 63.664 62.300 -0.491 0.000 1.024 440 V CB -0.520 30.781 31.823 -0.871 0.000 0.648 440 V HN 0.260 nan 8.190 nan 0.000 0.447 441 Y N 1.206 121.230 120.300 -0.460 0.000 2.224 441 Y HA -0.231 4.309 4.550 -0.018 0.000 0.289 441 Y C 2.554 178.324 175.900 -0.218 0.000 1.146 441 Y CA 2.145 60.015 58.100 -0.383 0.000 1.182 441 Y CB -0.131 38.192 38.460 -0.228 0.000 0.983 441 Y HN 0.368 nan 8.280 nan 0.000 0.524 442 E N -0.215 119.933 120.200 -0.087 0.000 2.072 442 E HA -0.245 4.094 4.350 -0.017 0.000 0.191 442 E C 2.015 178.531 176.600 -0.140 0.000 0.985 442 E CA 1.498 57.828 56.400 -0.118 0.000 0.801 442 E CB -0.910 28.765 29.700 -0.041 0.000 0.750 442 E HN 0.459 nan 8.360 nan 0.000 0.452 443 F N 0.348 120.175 119.950 -0.206 0.000 2.161 443 F HA -0.133 4.383 4.527 -0.018 0.000 0.300 443 F C 1.793 177.516 175.800 -0.127 0.000 1.089 443 F CA 1.410 59.323 58.000 -0.145 0.000 1.282 443 F CB -0.094 38.842 39.000 -0.107 0.000 1.010 443 F HN 0.072 nan 8.300 nan 0.000 0.485 444 M N 0.286 119.679 119.600 -0.345 0.000 2.558 444 M HA -0.070 4.399 4.480 -0.017 0.000 0.255 444 M C 2.090 178.131 176.300 -0.431 0.000 1.113 444 M CA 0.777 55.882 55.300 -0.325 0.000 1.097 444 M CB -1.061 31.448 32.600 -0.152 0.000 1.426 444 M HN 0.240 nan 8.290 nan 0.000 0.488 445 K N 1.326 121.423 120.400 -0.505 0.000 2.052 445 K HA -0.199 4.110 4.320 -0.017 0.000 0.215 445 K C -1.029 175.280 176.600 -0.486 0.000 1.053 445 K CA 1.876 57.882 56.287 -0.470 0.000 0.934 445 K CB -0.862 31.404 32.500 -0.390 0.000 0.717 445 K HN 0.163 nan 8.250 nan 0.000 0.450 446 P HA -0.059 nan 4.420 nan 0.000 0.229 446 P C 0.440 177.365 177.300 -0.625 0.000 1.160 446 P CA 0.981 63.654 63.100 -0.711 0.000 0.777 446 P CB 0.058 31.190 31.700 -0.947 0.000 0.814 447 F N -1.325 118.464 119.950 -0.268 0.000 2.714 447 F HA 0.081 4.598 4.527 -0.017 0.000 0.294 447 F C 1.540 177.223 175.800 -0.196 0.000 1.120 447 F CA -0.225 57.636 58.000 -0.232 0.000 1.398 447 F CB -0.895 37.932 39.000 -0.288 0.000 1.120 447 F HN -0.226 nan 8.300 nan 0.000 0.589 448 V N -2.217 117.653 119.914 -0.074 0.000 3.345 448 V HA 0.622 4.732 4.120 -0.017 0.000 0.308 448 V C 0.567 176.593 176.094 -0.114 0.000 1.168 448 V CA -1.167 61.079 62.300 -0.090 0.000 1.024 448 V CB 0.732 32.495 31.823 -0.099 0.000 1.211 448 V HN 0.101 nan 8.190 nan 0.000 0.461 449 S N 0.490 116.120 115.700 -0.116 0.000 2.563 449 S HA 0.340 4.799 4.470 -0.017 0.000 0.284 449 S C -0.355 174.180 174.600 -0.107 0.000 1.331 449 S CA -0.216 57.920 58.200 -0.108 0.000 1.047 449 S CB -0.303 62.824 63.200 -0.123 0.000 0.859 449 S HN 0.838 nan 8.310 nan 0.000 0.514 450 K N 1.009 121.356 120.400 -0.089 0.000 2.477 450 K HA 0.451 4.760 4.320 -0.017 0.000 0.255 450 K C -0.858 175.704 176.600 -0.063 0.000 0.952 450 K CA -1.146 55.089 56.287 -0.087 0.000 0.826 450 K CB 1.101 33.542 32.500 -0.098 0.000 1.331 450 K HN 0.625 nan 8.250 nan 0.000 0.437 451 N N 1.208 119.872 118.700 -0.060 0.000 2.708 451 N HA -0.104 4.626 4.740 -0.017 0.000 0.255 451 N C -2.445 173.044 175.510 -0.035 0.000 1.046 451 N CA 0.499 53.521 53.050 -0.047 0.000 0.715 451 N CB -1.383 37.078 38.487 -0.043 0.000 0.895 451 N HN 0.574 nan 8.380 nan 0.000 0.545 452 P HA 0.309 nan 4.420 nan 0.000 0.285 452 P C -0.090 177.180 177.300 -0.049 0.000 1.285 452 P CA -0.687 62.385 63.100 -0.047 0.000 0.854 452 P CB 1.260 32.927 31.700 -0.055 0.000 1.180 453 R N 0.943 121.414 120.500 -0.049 0.000 2.351 453 R HA 0.260 4.590 4.340 -0.017 0.000 0.318 453 R C -0.001 176.284 176.300 -0.026 0.000 1.055 453 R CA -0.242 55.829 56.100 -0.048 0.000 0.968 453 R CB -0.530 29.747 30.300 -0.039 0.000 0.974 453 R HN 0.396 nan 8.270 nan 0.000 0.439 454 L N 3.356 124.542 121.223 -0.062 0.000 2.453 454 L HA 0.469 4.799 4.340 -0.017 0.000 0.261 454 L C 1.045 177.900 176.870 -0.025 0.000 1.179 454 L CA -0.150 54.638 54.840 -0.086 0.000 0.813 454 L CB 1.211 43.094 42.059 -0.293 0.000 1.110 454 L HN 0.826 nan 8.230 nan 0.000 0.466 455 G N -0.239 108.612 108.800 0.085 0.000 2.921 455 G HA2 0.512 4.462 3.960 -0.017 0.000 0.291 455 G HA3 0.512 4.462 3.960 -0.017 0.000 0.291 455 G C -2.364 172.835 174.900 0.497 0.000 1.370 455 G CA -0.215 45.060 45.100 0.291 0.000 0.847 455 G HN 0.333 nan 8.290 nan 0.000 0.532 456 Y N 0.193 120.720 120.300 0.379 0.000 2.361 456 Y HA 0.476 5.015 4.550 -0.018 0.000 0.328 456 Y C 0.594 176.471 175.900 -0.038 0.000 1.044 456 Y CA -1.309 56.966 58.100 0.291 0.000 1.085 456 Y CB 1.740 40.418 38.460 0.363 0.000 1.194 456 Y HN 0.457 nan 8.280 nan 0.000 0.438 457 V N 5.135 124.849 119.914 -0.333 0.000 2.594 457 V HA -0.207 3.902 4.120 -0.017 0.000 0.253 457 V C 1.407 177.139 176.094 -0.603 0.000 1.069 457 V CA 2.406 64.204 62.300 -0.836 0.000 1.082 457 V CB -0.248 31.314 31.823 -0.435 0.000 0.680 457 V HN 0.832 nan 8.190 nan 0.000 0.469 458 N N -0.490 117.698 118.700 -0.853 0.000 2.453 458 N HA -0.094 4.635 4.740 -0.017 0.000 0.183 458 N C 0.916 176.030 175.510 -0.659 0.000 1.041 458 N CA 0.834 53.422 53.050 -0.771 0.000 0.900 458 N CB -0.343 37.629 38.487 -0.858 0.000 0.961 458 N HN 0.681 nan 8.380 nan 0.000 0.443 459 H N -0.144 118.605 119.070 -0.535 0.000 2.579 459 H HA 0.284 4.829 4.556 -0.018 0.000 0.289 459 H C -0.167 175.203 175.328 0.071 0.000 1.270 459 H CA -0.556 55.494 56.048 0.004 0.000 1.060 459 H CB -0.327 29.584 29.762 0.249 0.000 1.554 459 H HN 0.028 nan 8.280 nan 0.000 0.515 460 I N 1.278 121.819 120.570 -0.048 0.000 2.826 460 I HA -0.093 4.066 4.170 -0.017 0.000 0.295 460 I C -0.253 175.972 176.117 0.179 0.000 1.213 460 I CA 0.900 62.202 61.300 0.004 0.000 1.436 460 I CB 0.263 38.191 38.000 -0.119 0.000 1.348 460 I HN 0.382 nan 8.210 nan 0.000 0.570 461 D N 7.024 127.566 120.400 0.238 0.000 2.476 461 D HA 0.198 4.828 4.640 -0.017 0.000 0.251 461 D C 0.399 176.743 176.300 0.074 0.000 1.291 461 D CA -0.355 53.748 54.000 0.171 0.000 0.939 461 D CB 1.049 41.962 40.800 0.188 0.000 1.221 461 D HN 0.553 nan 8.370 nan 0.000 0.567 462 L N 2.178 123.408 121.223 0.012 0.000 2.552 462 L HA -0.009 4.320 4.340 -0.017 0.000 0.227 462 L C 1.094 177.936 176.870 -0.046 0.000 1.146 462 L CA 0.307 55.106 54.840 -0.069 0.000 0.858 462 L CB 0.076 42.095 42.059 -0.066 0.000 0.969 462 L HN 0.285 nan 8.230 nan 0.000 0.451 463 D N 0.315 120.713 120.400 -0.003 0.000 2.263 463 D HA -0.139 4.491 4.640 -0.017 0.000 0.208 463 D C 1.999 178.317 176.300 0.030 0.000 0.971 463 D CA 1.006 55.010 54.000 0.006 0.000 0.867 463 D CB 0.041 40.832 40.800 -0.014 0.000 0.929 463 D HN 0.197 nan 8.370 nan 0.000 0.492 464 L N -0.499 120.750 121.223 0.043 0.000 2.376 464 L HA 0.190 4.520 4.340 -0.017 0.000 0.219 464 L C 1.502 178.501 176.870 0.215 0.000 1.133 464 L CA 0.740 55.662 54.840 0.135 0.000 0.816 464 L CB -0.925 41.242 42.059 0.180 0.000 0.933 464 L HN 0.115 nan 8.230 nan 0.000 0.449 465 G N -2.196 106.607 108.800 0.004 0.000 2.353 465 G HA2 0.399 4.349 3.960 -0.017 0.000 0.615 465 G HA3 0.399 4.349 3.960 -0.017 0.000 0.615 465 G C -0.486 174.090 174.900 -0.540 0.000 1.280 465 G CA -0.558 44.528 45.100 -0.024 0.000 1.000 465 G HN 0.492 nan 8.290 nan 0.000 0.516 466 G N -1.278 107.284 108.800 -0.397 0.000 2.616 466 G HA2 0.616 4.566 3.960 -0.017 0.000 0.294 466 G HA3 0.616 4.566 3.960 -0.017 0.000 0.294 466 G C -1.193 173.614 174.900 -0.154 0.000 1.489 466 G CA -0.606 44.204 45.100 -0.484 0.000 0.836 466 G HN 0.922 nan 8.290 nan 0.000 0.527 467 I N 1.710 122.163 120.570 -0.195 0.000 2.365 467 I HA 0.262 4.422 4.170 -0.017 0.000 0.291 467 I C -0.541 175.298 176.117 -0.463 0.000 1.004 467 I CA -0.579 60.486 61.300 -0.391 0.000 1.311 467 I CB 1.613 39.074 38.000 -0.898 0.000 1.401 467 I HN 0.474 nan 8.210 nan 0.000 0.491 468 D N 5.825 126.028 120.400 -0.328 0.000 2.411 468 D HA 0.091 4.720 4.640 -0.017 0.000 0.225 468 D C 0.584 176.768 176.300 -0.192 0.000 1.156 468 D CA -0.310 53.578 54.000 -0.186 0.000 0.874 468 D CB 0.411 41.163 40.800 -0.080 0.000 1.034 468 D HN 0.363 nan 8.370 nan 0.000 0.502 469 W N 2.194 123.506 121.300 0.019 0.000 2.721 469 W HA 0.128 4.777 4.660 -0.017 0.000 0.245 469 W C 2.144 178.669 176.519 0.010 0.000 1.276 469 W CA 0.072 57.427 57.345 0.016 0.000 1.342 469 W CB 0.479 29.942 29.460 0.004 0.000 1.135 469 W HN 0.577 nan 8.180 nan 0.000 0.654 470 G N -0.550 108.349 108.800 0.164 0.000 3.042 470 G HA2 -0.093 3.857 3.960 -0.017 0.000 0.212 470 G HA3 -0.093 3.857 3.960 -0.017 0.000 0.212 470 G C 0.234 175.169 174.900 0.059 0.000 1.166 470 G CA -0.256 44.906 45.100 0.103 0.000 0.767 470 G HN -0.039 nan 8.290 nan 0.000 0.546 471 N N 0.667 119.389 118.700 0.036 0.000 2.485 471 N HA 0.201 4.931 4.740 -0.017 0.000 0.243 471 N C 1.063 176.582 175.510 0.015 0.000 0.987 471 N CA -0.411 52.645 53.050 0.010 0.000 0.940 471 N CB 1.713 40.189 38.487 -0.019 0.000 1.122 471 N HN -0.149 nan 8.380 nan 0.000 0.509 472 K N 1.742 122.156 120.400 0.024 0.000 2.063 472 K HA -0.087 4.222 4.320 -0.017 0.000 0.208 472 K C 1.658 178.269 176.600 0.019 0.000 1.048 472 K CA 1.673 57.979 56.287 0.030 0.000 0.928 472 K CB -0.564 31.952 32.500 0.027 0.000 0.713 472 K HN 0.539 nan 8.250 nan 0.000 0.442 473 T N -0.751 113.807 114.554 0.007 0.000 2.821 473 T HA -0.054 4.286 4.350 -0.017 0.000 0.267 473 T C 1.675 176.370 174.700 -0.008 0.000 1.046 473 T CA 1.327 63.429 62.100 0.002 0.000 1.139 473 T CB -0.161 68.707 68.868 -0.000 0.000 0.871 473 T HN 0.015 nan 8.240 nan 0.000 0.454 474 V N 1.020 120.919 119.914 -0.024 0.000 2.307 474 V HA -0.087 4.022 4.120 -0.017 0.000 0.245 474 V C 2.729 178.785 176.094 -0.064 0.000 1.045 474 V CA 1.487 63.755 62.300 -0.054 0.000 1.024 474 V CB -0.510 31.259 31.823 -0.090 0.000 0.651 474 V HN 0.362 nan 8.190 nan 0.000 0.449 475 V N 0.601 120.491 119.914 -0.040 0.000 2.407 475 V HA -0.247 3.863 4.120 -0.017 0.000 0.248 475 V C 2.345 178.474 176.094 0.058 0.000 1.055 475 V CA 1.981 64.295 62.300 0.022 0.000 1.049 475 V CB -0.922 30.982 31.823 0.136 0.000 0.662 475 V HN 0.558 nan 8.190 nan 0.000 0.455 476 N N 0.749 119.473 118.700 0.041 0.000 2.137 476 N HA -0.164 4.566 4.740 -0.017 0.000 0.190 476 N C 1.477 177.007 175.510 0.032 0.000 1.017 476 N CA 1.510 54.584 53.050 0.040 0.000 0.859 476 N CB -0.419 38.083 38.487 0.026 0.000 1.002 476 N HN 0.465 nan 8.380 nan 0.000 0.428 477 N N 0.034 118.742 118.700 0.014 0.000 2.321 477 N HA 0.256 4.985 4.740 -0.017 0.000 0.242 477 N C 0.763 176.273 175.510 -0.000 0.000 1.141 477 N CA -0.082 52.971 53.050 0.006 0.000 0.864 477 N CB 0.142 38.624 38.487 -0.008 0.000 1.100 477 N HN 0.076 nan 8.380 nan 0.000 0.510 478 A N 0.205 123.036 122.820 0.018 0.000 1.940 478 A HA -0.096 4.213 4.320 -0.017 0.000 0.219 478 A C 2.051 179.668 177.584 0.054 0.000 1.176 478 A CA 0.965 53.008 52.037 0.010 0.000 0.631 478 A CB -0.465 18.581 19.000 0.077 0.000 0.814 478 A HN 0.417 nan 8.150 nan 0.000 0.446 479 I N -0.819 119.802 120.570 0.085 0.000 2.142 479 I HA -0.251 3.909 4.170 -0.017 0.000 0.240 479 I C 2.639 178.812 176.117 0.094 0.000 1.078 479 I CA 1.809 63.185 61.300 0.127 0.000 1.343 479 I CB -0.357 37.701 38.000 0.097 0.000 1.046 479 I HN 0.535 nan 8.210 nan 0.000 0.405 480 E N 1.564 121.778 120.200 0.024 0.000 2.051 480 E HA -0.234 4.105 4.350 -0.017 0.000 0.192 480 E C 2.363 178.881 176.600 -0.136 0.000 0.991 480 E CA 1.477 57.857 56.400 -0.034 0.000 0.799 480 E CB -0.054 29.630 29.700 -0.028 0.000 0.748 480 E HN 0.443 nan 8.360 nan 0.000 0.449 481 I N 0.810 121.298 120.570 -0.137 0.000 2.208 481 I HA -0.258 3.902 4.170 -0.017 0.000 0.245 481 I C 2.377 178.150 176.117 -0.573 0.000 1.097 481 I CA 1.124 62.290 61.300 -0.223 0.000 1.363 481 I CB -0.146 37.792 38.000 -0.104 0.000 1.051 481 I HN 0.048 nan 8.210 nan 0.000 0.413 482 S N -0.162 115.228 115.700 -0.517 0.000 2.515 482 S HA -0.072 4.387 4.470 -0.017 0.000 0.231 482 S C 1.928 175.837 174.600 -1.151 0.000 0.987 482 S CA 0.473 58.099 58.200 -0.957 0.000 0.936 482 S CB -0.272 62.882 63.200 -0.077 0.000 0.766 482 S HN 0.328 nan 8.310 nan 0.000 0.528 483 R N 1.117 121.181 120.500 -0.727 0.000 2.152 483 R HA -0.041 4.288 4.340 -0.017 0.000 0.232 483 R C 2.483 178.364 176.300 -0.699 0.000 1.117 483 R CA 1.075 56.717 56.100 -0.763 0.000 0.981 483 R CB -0.316 29.750 30.300 -0.390 0.000 0.870 483 R HN 0.337 nan 8.270 nan 0.000 0.451 484 S N 0.084 115.353 115.700 -0.719 0.000 2.359 484 S HA -0.185 4.275 4.470 -0.017 0.000 0.223 484 S C 1.526 175.929 174.600 -0.328 0.000 1.039 484 S CA 1.771 59.708 58.200 -0.438 0.000 1.042 484 S CB -0.202 62.820 63.200 -0.296 0.000 0.915 484 S HN 0.636 nan 8.310 nan 0.000 0.439 485 W N 0.544 121.693 121.300 -0.252 0.000 2.630 485 W HA 0.478 5.128 4.660 -0.018 0.000 0.271 485 W C 2.271 178.453 176.519 -0.562 0.000 1.244 485 W CA 0.255 57.315 57.345 -0.474 0.000 1.353 485 W CB -1.169 28.065 29.460 -0.377 0.000 1.080 485 W HN 0.197 nan 8.180 nan 0.000 0.594 486 G N 1.457 109.951 108.800 -0.510 0.000 2.446 486 G HA2 -0.290 3.659 3.960 -0.017 0.000 0.217 486 G HA3 -0.290 3.659 3.960 -0.017 0.000 0.217 486 G C 1.425 176.202 174.900 -0.205 0.000 1.168 486 G CA 1.399 46.364 45.100 -0.224 0.000 0.771 486 G HN 0.433 nan 8.290 nan 0.000 0.551 487 E N 0.339 120.290 120.200 -0.416 0.000 2.208 487 E HA -0.015 4.325 4.350 -0.017 0.000 0.193 487 E C 2.830 179.375 176.600 -0.093 0.000 0.988 487 E CA 0.652 56.940 56.400 -0.185 0.000 0.828 487 E CB 0.024 29.601 29.700 -0.205 0.000 0.763 487 E HN 0.351 nan 8.360 nan 0.000 0.478 488 S N 0.296 115.885 115.700 -0.186 0.000 2.368 488 S HA -0.128 4.331 4.470 -0.017 0.000 0.224 488 S C 1.545 176.144 174.600 -0.002 0.000 1.029 488 S CA 0.995 59.120 58.200 -0.125 0.000 0.988 488 S CB -0.146 62.922 63.200 -0.219 0.000 0.838 488 S HN 0.311 nan 8.310 nan 0.000 0.462 489 Y N -0.602 119.622 120.300 -0.127 0.000 2.365 489 Y HA 0.212 4.752 4.550 -0.017 0.000 0.293 489 Y C 1.274 176.824 175.900 -0.583 0.000 1.119 489 Y CA -0.102 57.733 58.100 -0.441 0.000 1.203 489 Y CB -0.301 37.533 38.460 -1.043 0.000 1.026 489 Y HN 0.254 nan 8.280 nan 0.000 0.549 490 F N -2.710 117.380 119.950 0.233 0.000 2.817 490 F HA 0.305 4.821 4.527 -0.018 0.000 0.333 490 F C 1.042 176.893 175.800 0.086 0.000 1.085 490 F CA -0.904 57.180 58.000 0.140 0.000 1.170 490 F CB -0.332 38.840 39.000 0.287 0.000 1.066 490 F HN -0.207 nan 8.300 nan 0.000 0.564 491 L N -0.411 120.925 121.223 0.188 0.000 5.840 491 L HA -0.499 3.830 4.340 -0.017 0.000 0.053 491 L C 1.813 178.809 176.870 0.210 0.000 2.327 491 L CA 1.553 56.479 54.840 0.143 0.000 1.715 491 L CB -1.485 40.628 42.059 0.090 0.000 2.706 491 L HN 0.040 nan 8.230 nan 0.000 0.957 492 S N -0.132 115.674 115.700 0.176 0.000 2.555 492 S HA -0.026 4.434 4.470 -0.017 0.000 0.230 492 S C 1.137 175.878 174.600 0.235 0.000 0.978 492 S CA 0.869 59.177 58.200 0.181 0.000 0.934 492 S CB -0.411 62.863 63.200 0.124 0.000 0.766 492 S HN 0.421 nan 8.310 nan 0.000 0.533 493 N N 0.633 119.522 118.700 0.315 0.000 2.494 493 N HA 0.011 4.740 4.740 -0.017 0.000 0.182 493 N C 1.101 176.867 175.510 0.427 0.000 1.076 493 N CA 0.273 53.576 53.050 0.421 0.000 0.908 493 N CB -0.310 38.485 38.487 0.514 0.000 0.967 493 N HN 0.469 nan 8.380 nan 0.000 0.449 494 Y N 2.162 122.621 120.300 0.265 0.000 2.165 494 Y HA -0.230 4.309 4.550 -0.018 0.000 0.286 494 Y C 1.921 177.928 175.900 0.179 0.000 1.155 494 Y CA 1.694 59.934 58.100 0.233 0.000 1.164 494 Y CB -0.111 38.479 38.460 0.217 0.000 0.978 494 Y HN -0.038 nan 8.280 nan 0.000 0.513 495 E N -0.031 120.233 120.200 0.107 0.000 2.051 495 E HA -0.201 4.138 4.350 -0.017 0.000 0.192 495 E C 2.421 179.009 176.600 -0.021 0.000 0.991 495 E CA 1.610 57.995 56.400 -0.025 0.000 0.799 495 E CB -0.360 29.359 29.700 0.033 0.000 0.748 495 E HN 0.398 nan 8.360 nan 0.000 0.449 496 R N 0.151 120.668 120.500 0.028 0.000 2.096 496 R HA -0.076 4.254 4.340 -0.017 0.000 0.235 496 R C 2.204 178.603 176.300 0.165 0.000 1.127 496 R CA 0.880 56.970 56.100 -0.018 0.000 0.968 496 R CB -0.243 29.863 30.300 -0.323 0.000 0.861 496 R HN 0.185 nan 8.270 nan 0.000 0.440 497 L N 0.362 121.760 121.223 0.292 0.000 2.042 497 L HA -0.223 4.107 4.340 -0.017 0.000 0.210 497 L C 2.388 179.409 176.870 0.251 0.000 1.076 497 L CA 1.380 56.411 54.840 0.319 0.000 0.749 497 L CB -0.355 41.820 42.059 0.194 0.000 0.893 497 L HN 0.260 nan 8.230 nan 0.000 0.432 498 I N -0.694 119.890 120.570 0.022 0.000 2.226 498 I HA -0.294 3.866 4.170 -0.017 0.000 0.245 498 I C 2.764 178.911 176.117 0.049 0.000 1.100 498 I CA 1.263 62.543 61.300 -0.033 0.000 1.374 498 I CB -0.270 37.607 38.000 -0.204 0.000 1.057 498 I HN 0.199 nan 8.210 nan 0.000 0.413 499 R N 0.540 121.067 120.500 0.045 0.000 2.075 499 R HA -0.103 4.226 4.340 -0.017 0.000 0.232 499 R C 2.454 178.815 176.300 0.102 0.000 1.126 499 R CA 1.402 57.532 56.100 0.050 0.000 0.963 499 R CB -0.414 29.892 30.300 0.011 0.000 0.858 499 R HN 0.355 nan 8.270 nan 0.000 0.435 500 A N 1.493 124.410 122.820 0.160 0.000 1.902 500 A HA -0.223 4.086 4.320 -0.017 0.000 0.217 500 A C 2.048 179.834 177.584 0.337 0.000 1.181 500 A CA 1.646 53.806 52.037 0.204 0.000 0.623 500 A CB -0.293 18.799 19.000 0.154 0.000 0.818 500 A HN 0.110 nan 8.150 nan 0.000 0.443 501 K N -0.165 120.504 120.400 0.448 0.000 2.026 501 K HA -0.104 4.205 4.320 -0.017 0.000 0.208 501 K C 1.861 178.553 176.600 0.153 0.000 1.048 501 K CA 2.414 58.889 56.287 0.314 0.000 0.929 501 K CB -0.964 31.588 32.500 0.088 0.000 0.713 501 K HN 0.377 nan 8.250 nan 0.000 0.439 502 T N 1.285 115.906 114.554 0.111 0.000 2.788 502 T HA -0.113 4.227 4.350 -0.017 0.000 0.268 502 T C 1.553 176.298 174.700 0.076 0.000 1.044 502 T CA 1.265 63.406 62.100 0.068 0.000 1.139 502 T CB -0.245 68.653 68.868 0.049 0.000 0.867 502 T HN 0.165 nan 8.240 nan 0.000 0.454 503 L N 0.421 121.702 121.223 0.097 0.000 2.044 503 L HA 0.195 4.524 4.340 -0.017 0.000 0.205 503 L C 1.988 178.917 176.870 0.099 0.000 1.075 503 L CA 1.523 56.415 54.840 0.086 0.000 0.747 503 L CB -0.471 41.637 42.059 0.082 0.000 0.903 503 L HN 0.150 nan 8.230 nan 0.000 0.435 504 I N -1.268 119.387 120.570 0.142 0.000 3.228 504 I HA 0.069 4.228 4.170 -0.017 0.000 0.279 504 I C 0.171 176.376 176.117 0.146 0.000 1.221 504 I CA 0.557 61.947 61.300 0.149 0.000 1.458 504 I CB 0.094 38.212 38.000 0.198 0.000 1.105 504 I HN 0.325 nan 8.210 nan 0.000 0.445 505 D N -0.192 120.288 120.400 0.134 0.000 2.945 505 D HA 0.221 4.851 4.640 -0.017 0.000 0.340 505 D C -1.873 174.452 176.300 0.042 0.000 1.240 505 D CA -1.490 52.576 54.000 0.111 0.000 0.749 505 D CB 0.619 41.505 40.800 0.144 0.000 1.217 505 D HN 0.059 nan 8.370 nan 0.000 0.514 506 P HA -0.098 nan 4.420 nan 0.000 0.219 506 P C 0.653 177.945 177.300 -0.014 0.000 1.146 506 P CA 0.779 63.889 63.100 0.016 0.000 0.808 506 P CB 0.422 32.138 31.700 0.026 0.000 0.779 507 N N -0.725 117.963 118.700 -0.019 0.000 2.336 507 N HA -0.023 4.707 4.740 -0.017 0.000 0.189 507 N C 0.302 175.747 175.510 -0.108 0.000 1.113 507 N CA 0.088 53.109 53.050 -0.048 0.000 0.858 507 N CB -0.996 37.470 38.487 -0.034 0.000 0.970 507 N HN 0.002 nan 8.380 nan 0.000 0.471 508 N N 0.134 118.753 118.700 -0.134 0.000 2.740 508 N HA -0.143 4.586 4.740 -0.017 0.000 0.248 508 N C 0.611 175.956 175.510 -0.277 0.000 1.062 508 N CA 0.156 53.049 53.050 -0.261 0.000 0.704 508 N CB -1.318 36.910 38.487 -0.432 0.000 0.968 508 N HN -0.048 nan 8.380 nan 0.000 0.547 509 V N -1.081 118.704 119.914 -0.215 0.000 2.515 509 V HA -0.059 4.051 4.120 -0.017 0.000 0.250 509 V C 0.905 176.635 176.094 -0.606 0.000 1.058 509 V CA 1.500 63.562 62.300 -0.398 0.000 1.064 509 V CB -0.410 31.140 31.823 -0.455 0.000 0.675 509 V HN 0.347 nan 8.190 nan 0.000 0.461 510 F N 1.948 121.807 119.950 -0.153 0.000 2.308 510 F HA 0.487 5.004 4.527 -0.017 0.000 0.370 510 F C 0.231 175.880 175.800 -0.250 0.000 1.100 510 F CA -0.840 57.073 58.000 -0.144 0.000 1.108 510 F CB 0.298 39.233 39.000 -0.109 0.000 1.293 510 F HN 0.271 nan 8.300 nan 0.000 0.478 511 N N 0.977 119.598 118.700 -0.132 0.000 2.329 511 N HA 0.754 5.484 4.740 -0.017 0.000 0.282 511 N C -1.187 174.322 175.510 -0.001 0.000 1.198 511 N CA -0.878 52.005 53.050 -0.279 0.000 0.790 511 N CB 2.092 40.136 38.487 -0.740 0.000 1.579 511 N HN 0.519 nan 8.380 nan 0.000 0.475 512 H N -3.441 115.708 119.070 0.133 0.000 2.918 512 H HA 0.514 5.060 4.556 -0.017 0.000 0.303 512 H C -2.722 172.780 175.328 0.290 0.000 1.380 512 H CA -1.577 54.563 56.048 0.153 0.000 1.134 512 H CB 0.385 30.159 29.762 0.020 0.000 1.842 512 H HN 0.273 nan 8.280 nan 0.000 0.533 513 P HA -0.071 nan 4.420 nan 0.000 0.222 513 P C 0.273 177.546 177.300 -0.045 0.000 1.147 513 P CA 1.493 64.636 63.100 0.070 0.000 0.790 513 P CB 0.265 31.936 31.700 -0.048 0.000 0.780 514 Q N -1.066 118.776 119.800 0.069 0.000 2.135 514 Q HA 0.149 4.479 4.340 -0.017 0.000 0.231 514 Q C -0.128 175.936 176.000 0.107 0.000 0.817 514 Q CA -0.216 55.569 55.803 -0.029 0.000 1.073 514 Q CB 0.476 29.087 28.738 -0.211 0.000 1.176 514 Q HN 0.197 nan 8.270 nan 0.000 0.478 515 S N -0.137 115.353 115.700 -0.351 0.000 2.576 515 S HA 0.259 4.718 4.470 -0.017 0.000 0.276 515 S C 0.554 175.258 174.600 0.173 0.000 1.339 515 S CA -0.658 57.353 58.200 -0.315 0.000 1.039 515 S CB 0.993 63.894 63.200 -0.499 0.000 0.902 515 S HN 0.138 nan 8.310 nan 0.000 0.516 516 I N 3.003 123.615 120.570 0.069 0.000 2.668 516 I HA 0.160 4.320 4.170 -0.017 0.000 0.285 516 I C -2.137 174.043 176.117 0.105 0.000 1.168 516 I CA -1.834 59.553 61.300 0.146 0.000 1.424 516 I CB -0.684 37.309 38.000 -0.011 0.000 1.377 516 I HN 0.455 nan 8.210 nan 0.000 0.560 517 P HA 0.282 nan 4.420 nan 0.000 0.279 517 P C -2.529 174.825 177.300 0.089 0.000 1.239 517 P CA -1.410 61.859 63.100 0.282 0.000 0.789 517 P CB 0.178 32.106 31.700 0.381 0.000 0.933 518 P HA 0.269 nan 4.420 nan 0.000 0.281 518 P C -0.131 177.200 177.300 0.051 0.000 1.249 518 P CA -0.263 62.848 63.100 0.018 0.000 0.810 518 P CB 0.524 32.211 31.700 -0.022 0.000 1.008 519 M N 1.290 120.912 119.600 0.037 0.000 2.243 519 M HA 0.294 4.764 4.480 -0.017 0.000 0.341 519 M C 0.955 177.281 176.300 0.042 0.000 1.130 519 M CA -0.147 55.177 55.300 0.040 0.000 1.162 519 M CB 0.532 33.148 32.600 0.026 0.000 1.497 519 M HN 0.427 nan 8.290 nan 0.000 0.456 520 A N 0.000 122.849 122.820 0.048 0.000 2.254 520 A HA 0.000 4.310 4.320 -0.017 0.000 0.244 520 A CA 0.000 52.064 52.037 0.045 0.000 0.836 520 A CB 0.000 19.029 19.000 0.049 0.000 0.831 520 A HN 0.000 nan 8.150 nan 0.000 0.486