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 3ldw_1_D DATA FIRST_RESID 37 DATA SEQUENCE FRNMYDKYRD AFLSHLNEYS LEEEIKEHIS KYYKLLFDYN CLGGKNNRGI DATA SEQUENCE LVILIYEYVK XXXXNSSEWE KAACLAWCIE ILQAAFLVAD DIMDKGEMRR DATA SEQUENCE NKYCWYLLKD VETKNAVNDV LLLYNSIYKL IEIYLRNESC YVDVIATFRD DATA SEQUENCE ATLKTIIGQH LDTNIFSDKY SXXHREIDVN NINVPEQPVI DINMINFGVY DATA SEQUENCE KNIVIHKTAY YSFFLPIVCG MLLAGIXXDN LIYKKIEDIS MLMGEYFQIH DATA SEQUENCE DDYLDIFGDS TKTGKVGSDI QNNKLTWPLI KTFELCSEPD KIKIVKNYGK DATA SEQUENCE NNLACVKVID SLYEQYKIRK HYESYEKAQK AKILSAINEL HHEGIEYVLK DATA SEQUENCE YLLEILFTGV 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 37 F HA 0.000 nan 4.527 nan 0.000 0.279 37 F C 0.000 176.053 175.800 0.421 0.000 0.967 37 F CA 0.000 58.109 58.000 0.181 0.000 1.383 37 F CB 0.000 38.983 39.000 -0.028 0.000 1.145 38 R N 1.417 122.018 120.500 0.169 0.000 2.083 38 R HA -0.090 4.250 4.340 -0.000 0.000 0.237 38 R C 1.715 178.085 176.300 0.117 0.000 1.137 38 R CA 2.758 58.929 56.100 0.119 0.000 0.951 38 R CB -2.777 nan 30.300 nan 0.000 0.851 38 R HN 0.768 nan 8.270 nan 0.000 0.434 39 N N 0.488 119.242 118.700 0.090 0.000 2.396 39 N HA 0.027 4.767 4.740 -0.000 0.000 0.180 39 N C 1.950 177.463 175.510 0.004 0.000 1.028 39 N CA 1.456 54.530 53.050 0.040 0.000 0.893 39 N CB -0.193 nan 38.487 nan 0.000 0.967 39 N HN 0.462 nan 8.380 nan 0.000 0.440 40 M N -0.566 119.066 119.600 0.053 0.000 2.619 40 M HA 0.074 4.553 4.480 -0.000 0.000 0.251 40 M C 1.841 178.011 176.300 -0.218 0.000 1.106 40 M CA 0.271 55.562 55.300 -0.015 0.000 1.086 40 M CB -1.041 31.715 32.600 0.260 0.000 1.465 40 M HN 0.635 nan 8.290 nan 0.000 0.506 41 Y N 2.184 122.210 120.300 -0.456 0.000 2.081 41 Y HA -0.289 4.261 4.550 -0.001 0.000 0.280 41 Y C 1.599 177.098 175.900 -0.669 0.000 1.163 41 Y CA 2.205 59.652 58.100 -1.088 0.000 1.135 41 Y CB -0.509 37.239 38.460 -1.187 0.000 0.970 41 Y HN 0.214 nan 8.280 nan 0.000 0.498 42 D N 0.158 120.186 120.400 -0.621 0.000 2.158 42 D HA -0.218 4.422 4.640 -0.000 0.000 0.197 42 D C 2.190 178.174 176.300 -0.527 0.000 0.995 42 D CA 1.787 55.470 54.000 -0.529 0.000 0.846 42 D CB -0.282 40.385 40.800 -0.223 0.000 0.941 42 D HN 0.404 nan 8.370 nan 0.000 0.456 43 K N -0.330 119.750 120.400 -0.533 0.000 2.009 43 K HA -0.194 4.125 4.320 -0.000 0.000 0.210 43 K C 1.826 178.068 176.600 -0.596 0.000 1.049 43 K CA 1.209 57.160 56.287 -0.560 0.000 0.929 43 K CB -0.229 31.855 32.500 -0.693 0.000 0.714 43 K HN 0.223 nan 8.250 nan 0.000 0.440 44 Y N 0.739 120.811 120.300 -0.379 0.000 2.263 44 Y HA -0.049 4.501 4.550 -0.001 0.000 0.292 44 Y C 2.619 178.287 175.900 -0.386 0.000 1.130 44 Y CA 1.223 59.138 58.100 -0.308 0.000 1.179 44 Y CB -0.489 37.785 38.460 -0.311 0.000 0.998 44 Y HN 0.119 nan 8.280 nan 0.000 0.532 45 R N 0.688 120.842 120.500 -0.578 0.000 2.070 45 R HA -0.172 4.168 4.340 -0.000 0.000 0.233 45 R C 1.340 177.396 176.300 -0.406 0.000 1.137 45 R CA 2.129 57.815 56.100 -0.691 0.000 0.945 45 R CB -0.353 29.366 30.300 -0.969 0.000 0.845 45 R HN 0.245 nan 8.270 nan 0.000 0.430 46 D N 0.356 120.556 120.400 -0.333 0.000 2.178 46 D HA -0.093 4.546 4.640 -0.000 0.000 0.202 46 D C 1.700 177.916 176.300 -0.139 0.000 0.974 46 D CA 1.262 55.139 54.000 -0.206 0.000 0.841 46 D CB -0.173 40.515 40.800 -0.186 0.000 0.953 46 D HN 0.396 nan 8.370 nan 0.000 0.478 47 A N 0.459 123.220 122.820 -0.099 0.000 1.877 47 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 47 A C 2.084 179.671 177.584 0.004 0.000 1.186 47 A CA 0.965 52.997 52.037 -0.007 0.000 0.620 47 A CB -0.956 18.133 19.000 0.148 0.000 0.822 47 A HN 0.243 nan 8.150 nan 0.000 0.443 48 F N -0.115 119.754 119.950 -0.136 0.000 2.146 48 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 48 F C 1.793 177.528 175.800 -0.108 0.000 1.096 48 F CA 1.281 59.201 58.000 -0.133 0.000 1.275 48 F CB -0.245 38.604 39.000 -0.251 0.000 1.008 48 F HN 0.138 nan 8.300 nan 0.000 0.480 49 L N -0.391 120.712 121.223 -0.200 0.000 2.131 49 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 49 L C 2.768 179.494 176.870 -0.241 0.000 1.092 49 L CA 1.864 56.580 54.840 -0.206 0.000 0.759 49 L CB -1.315 40.686 42.059 -0.096 0.000 0.903 49 L HN 0.244 nan 8.230 nan 0.000 0.435 50 S N -1.748 113.838 115.700 -0.190 0.000 2.383 50 S HA -0.256 4.214 4.470 -0.000 0.000 0.227 50 S C 2.156 176.638 174.600 -0.198 0.000 1.026 50 S CA 1.288 59.393 58.200 -0.158 0.000 0.981 50 S CB -0.291 62.847 63.200 -0.103 0.000 0.818 50 S HN 0.716 nan 8.310 nan 0.000 0.472 51 H N 1.220 120.092 119.070 -0.331 0.000 2.352 51 H HA 0.023 4.579 4.556 -0.000 0.000 0.299 51 H C 1.828 176.851 175.328 -0.509 0.000 1.097 51 H CA 2.141 57.981 56.048 -0.348 0.000 1.311 51 H CB -0.433 29.101 29.762 -0.380 0.000 1.377 51 H HN 0.370 nan 8.280 nan 0.000 0.504 52 L N -0.180 120.516 121.223 -0.879 0.000 2.141 52 L HA -0.108 4.231 4.340 -0.000 0.000 0.209 52 L C 2.091 178.506 176.870 -0.759 0.000 1.094 52 L CA 1.073 55.198 54.840 -1.192 0.000 0.763 52 L CB -0.412 41.150 42.059 -0.829 0.000 0.908 52 L HN 0.331 nan 8.230 nan 0.000 0.437 53 N N 0.438 118.886 118.700 -0.421 0.000 2.512 53 N HA -0.150 4.590 4.740 -0.000 0.000 0.183 53 N C 1.504 176.916 175.510 -0.164 0.000 1.073 53 N CA 0.841 53.756 53.050 -0.225 0.000 0.911 53 N CB 0.130 38.526 38.487 -0.151 0.000 0.964 53 N HN 0.350 nan 8.380 nan 0.000 0.447 54 E N -1.224 118.856 120.200 -0.199 0.000 2.435 54 E HA -0.042 4.307 4.350 -0.000 0.000 0.195 54 E C -0.253 176.376 176.600 0.048 0.000 1.029 54 E CA -0.057 56.295 56.400 -0.080 0.000 0.865 54 E CB 0.151 29.797 29.700 -0.089 0.000 0.833 54 E HN 0.277 nan 8.360 nan 0.000 0.510 55 Y N 1.083 121.279 120.300 -0.173 0.000 2.550 55 Y HA 0.003 4.553 4.550 -0.001 0.000 0.343 55 Y C 0.942 176.797 175.900 -0.074 0.000 1.245 55 Y CA -0.995 57.028 58.100 -0.127 0.000 1.462 55 Y CB 0.502 38.891 38.460 -0.119 0.000 1.340 55 Y HN -0.235 nan 8.280 nan 0.000 0.604 56 S N 4.279 120.025 115.700 0.077 0.000 3.517 56 S HA 0.340 4.810 4.470 -0.000 0.000 0.284 56 S C -0.152 174.475 174.600 0.045 0.000 1.260 56 S CA -0.228 57.992 58.200 0.033 0.000 0.975 56 S CB -1.014 62.184 63.200 -0.004 0.000 1.540 56 S HN 0.339 nan 8.310 nan 0.000 0.506 57 L N 1.372 122.629 121.223 0.056 0.000 2.371 57 L HA 0.468 4.807 4.340 -0.000 0.000 0.262 57 L C 0.261 177.151 176.870 0.033 0.000 1.006 57 L CA -0.968 53.905 54.840 0.055 0.000 0.818 57 L CB 1.757 43.866 42.059 0.084 0.000 1.354 57 L HN 0.287 nan 8.230 nan 0.000 0.415 58 E N 0.694 120.913 120.200 0.031 0.000 2.384 58 E HA -0.065 4.285 4.350 -0.000 0.000 0.266 58 E C 0.145 176.751 176.600 0.010 0.000 1.012 58 E CA -0.072 56.340 56.400 0.019 0.000 0.901 58 E CB 1.205 30.919 29.700 0.023 0.000 0.967 58 E HN 0.430 nan 8.360 nan 0.000 0.435 59 E N 2.772 122.969 120.200 -0.005 0.000 2.114 59 E HA -0.302 4.048 4.350 -0.000 0.000 0.199 59 E C 2.172 178.746 176.600 -0.044 0.000 1.008 59 E CA 2.305 58.693 56.400 -0.021 0.000 0.810 59 E CB -0.103 29.583 29.700 -0.024 0.000 0.739 59 E HN 0.682 nan 8.360 nan 0.000 0.456 60 E N 0.097 120.267 120.200 -0.050 0.000 2.106 60 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 60 E C 2.137 178.662 176.600 -0.124 0.000 0.984 60 E CA 1.415 57.744 56.400 -0.118 0.000 0.806 60 E CB -0.783 28.875 29.700 -0.069 0.000 0.750 60 E HN 0.425 nan 8.360 nan 0.000 0.458 61 I N 0.058 120.642 120.570 0.022 0.000 2.315 61 I HA -0.209 3.960 4.170 -0.000 0.000 0.248 61 I C 2.645 178.815 176.117 0.088 0.000 1.117 61 I CA 1.406 62.774 61.300 0.114 0.000 1.404 61 I CB -0.014 38.048 38.000 0.104 0.000 1.071 61 I HN 0.181 nan 8.210 nan 0.000 0.419 62 K N 0.523 120.943 120.400 0.034 0.000 2.097 62 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 62 K C 1.969 178.578 176.600 0.015 0.000 1.049 62 K CA 1.448 57.748 56.287 0.021 0.000 0.933 62 K CB -0.123 32.371 32.500 -0.009 0.000 0.717 62 K HN 0.371 nan 8.250 nan 0.000 0.442 63 E N -0.295 119.879 120.200 -0.043 0.000 2.072 63 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 63 E C 2.031 178.623 176.600 -0.015 0.000 0.985 63 E CA 0.922 57.278 56.400 -0.074 0.000 0.801 63 E CB 0.007 29.602 29.700 -0.174 0.000 0.750 63 E HN 0.353 nan 8.360 nan 0.000 0.452 64 H N 0.234 119.336 119.070 0.053 0.000 2.357 64 H HA -0.043 4.513 4.556 -0.001 0.000 0.301 64 H C 2.218 177.603 175.328 0.095 0.000 1.082 64 H CA 0.821 56.906 56.048 0.062 0.000 1.342 64 H CB -0.061 29.724 29.762 0.038 0.000 1.389 64 H HN 0.147 nan 8.280 nan 0.000 0.511 65 I N 0.968 121.680 120.570 0.238 0.000 2.286 65 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 65 I C 2.630 178.946 176.117 0.332 0.000 1.115 65 I CA 1.346 62.809 61.300 0.271 0.000 1.392 65 I CB -0.659 37.499 38.000 0.264 0.000 1.065 65 I HN 0.256 nan 8.210 nan 0.000 0.418 66 S N 0.731 116.560 115.700 0.215 0.000 2.355 66 S HA -0.250 4.219 4.470 -0.000 0.000 0.222 66 S C 2.107 176.825 174.600 0.197 0.000 1.031 66 S CA 1.208 59.517 58.200 0.182 0.000 0.993 66 S CB -0.418 62.831 63.200 0.082 0.000 0.859 66 S HN 0.330 nan 8.310 nan 0.000 0.453 67 K N -0.201 120.303 120.400 0.174 0.000 2.032 67 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 67 K C 2.155 178.860 176.600 0.175 0.000 1.048 67 K CA 1.677 58.060 56.287 0.161 0.000 0.927 67 K CB -0.442 32.157 32.500 0.165 0.000 0.712 67 K HN 0.538 nan 8.250 nan 0.000 0.441 68 Y N -0.311 120.027 120.300 0.063 0.000 2.133 68 Y HA -0.267 4.282 4.550 -0.001 0.000 0.287 68 Y C 1.777 177.679 175.900 0.003 0.000 1.134 68 Y CA 1.741 59.826 58.100 -0.026 0.000 1.133 68 Y CB -0.160 38.163 38.460 -0.230 0.000 0.987 68 Y HN 0.100 nan 8.280 nan 0.000 0.502 69 Y N 0.450 120.986 120.300 0.392 0.000 2.373 69 Y HA -0.107 4.443 4.550 -0.000 0.000 0.293 69 Y C 2.489 178.602 175.900 0.355 0.000 1.129 69 Y CA 1.420 59.751 58.100 0.385 0.000 1.226 69 Y CB -0.557 38.181 38.460 0.463 0.000 1.000 69 Y HN 0.102 nan 8.280 nan 0.000 0.549 70 K N 0.214 120.829 120.400 0.359 0.000 2.026 70 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 70 K C 2.053 178.790 176.600 0.228 0.000 1.048 70 K CA 1.466 57.910 56.287 0.262 0.000 0.929 70 K CB -0.469 32.127 32.500 0.158 0.000 0.713 70 K HN 0.239 nan 8.250 nan 0.000 0.439 71 L N 1.457 122.762 121.223 0.136 0.000 2.017 71 L HA -0.133 4.206 4.340 -0.000 0.000 0.208 71 L C 2.183 179.013 176.870 -0.067 0.000 1.073 71 L CA 1.368 56.261 54.840 0.088 0.000 0.745 71 L CB -0.739 41.370 42.059 0.083 0.000 0.894 71 L HN 0.330 nan 8.230 nan 0.000 0.432 72 L N -1.235 119.835 121.223 -0.255 0.000 2.043 72 L HA -0.252 4.087 4.340 -0.000 0.000 0.212 72 L C 2.157 178.750 176.870 -0.462 0.000 1.075 72 L CA 1.989 56.414 54.840 -0.692 0.000 0.752 72 L CB -0.737 41.116 42.059 -0.343 0.000 0.891 72 L HN 0.230 nan 8.230 nan 0.000 0.432 73 F N -0.127 119.787 119.950 -0.059 0.000 2.118 73 F HA -0.119 4.408 4.527 -0.001 0.000 0.293 73 F C 2.326 178.177 175.800 0.086 0.000 1.102 73 F CA 1.558 59.586 58.000 0.046 0.000 1.247 73 F CB -0.672 38.399 39.000 0.119 0.000 1.017 73 F HN 0.113 nan 8.300 nan 0.000 0.475 74 D N -0.874 119.702 120.400 0.294 0.000 2.104 74 D HA -0.256 4.384 4.640 -0.000 0.000 0.194 74 D C 2.028 178.358 176.300 0.050 0.000 0.994 74 D CA 1.474 55.564 54.000 0.150 0.000 0.830 74 D CB -0.912 39.981 40.800 0.154 0.000 0.959 74 D HN 0.275 nan 8.370 nan 0.000 0.452 75 Y N 1.176 121.437 120.300 -0.064 0.000 2.224 75 Y HA -0.147 4.403 4.550 -0.000 0.000 0.289 75 Y C 1.728 177.574 175.900 -0.091 0.000 1.146 75 Y CA 1.416 59.476 58.100 -0.067 0.000 1.182 75 Y CB 0.193 38.608 38.460 -0.075 0.000 0.983 75 Y HN -0.026 nan 8.280 nan 0.000 0.524 76 N N -2.454 116.232 118.700 -0.023 0.000 2.294 76 N HA 0.010 4.749 4.740 -0.000 0.000 0.186 76 N C 1.150 176.669 175.510 0.016 0.000 1.107 76 N CA 0.807 53.834 53.050 -0.038 0.000 0.884 76 N CB 0.023 38.406 38.487 -0.173 0.000 1.030 76 N HN 0.297 nan 8.380 nan 0.000 0.482 77 C N 0.679 120.014 119.300 0.058 0.000 2.590 77 C HA 0.368 4.828 4.460 -0.000 0.000 0.272 77 C C 1.170 176.233 174.990 0.122 0.000 1.338 77 C CA -0.327 58.797 59.018 0.176 0.000 1.746 77 C CB -0.400 27.548 27.740 0.347 0.000 2.020 77 C HN 0.163 nan 8.230 nan 0.000 0.531 78 L N 0.217 121.415 121.223 -0.042 0.000 2.334 78 L HA 0.673 5.013 4.340 -0.000 0.000 0.270 78 L C 1.228 178.069 176.870 -0.048 0.000 1.018 78 L CA 0.579 55.370 54.840 -0.083 0.000 0.811 78 L CB 0.824 42.740 42.059 -0.239 0.000 1.271 78 L HN 0.347 nan 8.230 nan 0.000 0.443 79 G N 0.606 109.393 108.800 -0.021 0.000 2.195 79 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.224 79 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.224 79 G C 0.375 175.289 174.900 0.023 0.000 0.990 79 G CA -0.246 44.843 45.100 -0.018 0.000 0.639 79 G HN 1.026 nan 8.290 nan 0.000 0.514 80 G N -0.517 108.316 108.800 0.055 0.000 2.543 80 G HA2 0.541 4.500 3.960 -0.000 0.000 0.290 80 G HA3 0.541 4.500 3.960 -0.000 0.000 0.290 80 G C 0.832 175.779 174.900 0.079 0.000 1.310 80 G CA 0.304 45.451 45.100 0.077 0.000 1.025 80 G HN 0.259 nan 8.290 nan 0.000 0.502 81 K N -0.560 119.889 120.400 0.082 0.000 2.217 81 K HA -0.019 4.300 4.320 -0.000 0.000 0.202 81 K C 0.560 177.181 176.600 0.035 0.000 1.051 81 K CA 0.827 57.153 56.287 0.064 0.000 0.952 81 K CB -0.110 32.434 32.500 0.074 0.000 0.736 81 K HN 0.628 nan 8.250 nan 0.000 0.453 82 N N 0.500 119.218 118.700 0.030 0.000 2.747 82 N HA -0.192 4.548 4.740 -0.000 0.000 0.249 82 N C 0.136 175.555 175.510 -0.153 0.000 1.107 82 N CA 0.217 53.260 53.050 -0.012 0.000 0.707 82 N CB -0.883 37.681 38.487 0.129 0.000 1.054 82 N HN 0.225 nan 8.380 nan 0.000 0.555 83 N N 0.592 119.200 118.700 -0.152 0.000 2.104 83 N HA -0.105 4.634 4.740 -0.000 0.000 0.190 83 N C 1.681 177.002 175.510 -0.315 0.000 1.024 83 N CA 1.335 54.242 53.050 -0.239 0.000 0.853 83 N CB -0.060 38.269 38.487 -0.264 0.000 1.008 83 N HN 0.513 nan 8.380 nan 0.000 0.424 84 R N -0.004 120.309 120.500 -0.311 0.000 2.073 84 R HA -0.013 4.327 4.340 -0.000 0.000 0.234 84 R C 2.404 178.513 176.300 -0.317 0.000 1.134 84 R CA 1.354 57.264 56.100 -0.317 0.000 0.952 84 R CB -0.684 29.470 30.300 -0.244 0.000 0.850 84 R HN 0.228 nan 8.270 nan 0.000 0.433 85 G N 1.469 110.040 108.800 -0.381 0.000 2.421 85 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 85 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 85 G C 1.400 175.748 174.900 -0.921 0.000 1.171 85 G CA 0.469 45.186 45.100 -0.638 0.000 0.775 85 G HN 0.069 nan 8.290 nan 0.000 0.543 86 I N 0.468 120.501 120.570 -0.895 0.000 2.286 86 I HA -0.087 4.083 4.170 -0.000 0.000 0.248 86 I C 2.639 178.566 176.117 -0.317 0.000 1.115 86 I CA 0.790 61.717 61.300 -0.622 0.000 1.392 86 I CB -0.795 36.963 38.000 -0.404 0.000 1.065 86 I HN 0.135 nan 8.210 nan 0.000 0.418 87 L N 0.639 121.697 121.223 -0.276 0.000 2.083 87 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 87 L C 2.484 179.283 176.870 -0.118 0.000 1.083 87 L CA 1.625 56.361 54.840 -0.173 0.000 0.752 87 L CB -0.701 41.234 42.059 -0.206 0.000 0.899 87 L HN -0.037 nan 8.230 nan 0.000 0.433 88 V N -0.300 119.521 119.914 -0.155 0.000 2.255 88 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 88 V C 2.540 178.659 176.094 0.043 0.000 1.051 88 V CA 1.766 64.021 62.300 -0.074 0.000 1.018 88 V CB -0.639 31.122 31.823 -0.104 0.000 0.641 88 V HN 0.334 nan 8.190 nan 0.000 0.445 89 I N -0.273 120.307 120.570 0.017 0.000 2.127 89 I HA -0.251 3.918 4.170 -0.000 0.000 0.241 89 I C 2.393 178.703 176.117 0.322 0.000 1.075 89 I CA 1.957 63.384 61.300 0.212 0.000 1.334 89 I CB -1.132 36.857 38.000 -0.018 0.000 1.040 89 I HN 0.279 nan 8.210 nan 0.000 0.405 90 L N -0.241 121.088 121.223 0.178 0.000 2.027 90 L HA -0.186 4.154 4.340 -0.000 0.000 0.206 90 L C 2.591 179.632 176.870 0.285 0.000 1.074 90 L CA 0.882 55.877 54.840 0.257 0.000 0.745 90 L CB -0.448 41.695 42.059 0.141 0.000 0.898 90 L HN 0.139 nan 8.230 nan 0.000 0.433 91 I N -0.674 119.986 120.570 0.150 0.000 2.163 91 I HA -0.347 3.822 4.170 -0.000 0.000 0.243 91 I C 2.563 178.767 176.117 0.145 0.000 1.085 91 I CA 1.798 63.159 61.300 0.101 0.000 1.347 91 I CB -0.923 37.084 38.000 0.011 0.000 1.044 91 I HN 0.268 nan 8.210 nan 0.000 0.408 92 Y N 1.795 122.130 120.300 0.057 0.000 2.128 92 Y HA -0.287 4.263 4.550 -0.000 0.000 0.284 92 Y C 2.743 178.637 175.900 -0.010 0.000 1.154 92 Y CA 2.331 60.436 58.100 0.008 0.000 1.149 92 Y CB -0.382 38.072 38.460 -0.010 0.000 0.976 92 Y HN 0.244 nan 8.280 nan 0.000 0.505 93 E N -1.070 119.188 120.200 0.098 0.000 2.058 93 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 93 E C 1.614 178.105 176.600 -0.182 0.000 0.997 93 E CA 1.756 58.143 56.400 -0.022 0.000 0.801 93 E CB -0.457 29.405 29.700 0.271 0.000 0.746 93 E HN 0.661 nan 8.360 nan 0.000 0.450 94 Y N -0.861 119.438 120.300 -0.003 0.000 2.529 94 Y HA 0.006 4.555 4.550 -0.001 0.000 0.290 94 Y C 1.649 177.572 175.900 0.039 0.000 1.177 94 Y CA -0.129 57.978 58.100 0.012 0.000 1.305 94 Y CB 0.677 39.156 38.460 0.033 0.000 1.047 94 Y HN -0.005 nan 8.280 nan 0.000 0.522 95 V N -1.000 118.943 119.914 0.049 0.000 2.672 95 V HA -0.031 4.088 4.120 -0.000 0.000 0.242 95 V C 1.262 177.316 176.094 -0.066 0.000 1.059 95 V CA 0.827 63.154 62.300 0.046 0.000 1.081 95 V CB 0.054 31.847 31.823 -0.051 0.000 0.752 95 V HN 0.057 nan 8.190 nan 0.000 0.472 102 S N -0.470 115.363 115.700 0.221 0.000 2.400 102 S HA -0.170 4.300 4.470 -0.000 0.000 0.232 102 S C 1.332 176.063 174.600 0.219 0.000 1.025 102 S CA 1.608 59.975 58.200 0.278 0.000 0.993 102 S CB -0.816 62.497 63.200 0.188 0.000 0.808 102 S HN 0.527 nan 8.310 nan 0.000 0.478 103 S N 1.870 117.651 115.700 0.135 0.000 2.383 103 S HA -0.029 4.441 4.470 -0.000 0.000 0.227 103 S C 1.864 176.520 174.600 0.092 0.000 1.026 103 S CA 1.197 59.464 58.200 0.112 0.000 0.981 103 S CB -0.321 62.925 63.200 0.078 0.000 0.818 103 S HN 0.686 nan 8.310 nan 0.000 0.472 104 E N -0.223 120.000 120.200 0.039 0.000 2.158 104 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 104 E C 1.612 178.154 176.600 -0.096 0.000 0.982 104 E CA 0.665 57.040 56.400 -0.042 0.000 0.823 104 E CB -0.086 29.575 29.700 -0.065 0.000 0.766 104 E HN 0.623 nan 8.360 nan 0.000 0.468 105 W N 1.525 122.874 121.300 0.081 0.000 2.418 105 W HA -0.091 4.569 4.660 -0.000 0.000 0.292 105 W C 2.315 178.869 176.519 0.058 0.000 1.213 105 W CA 0.409 57.795 57.345 0.069 0.000 1.283 105 W CB 0.191 29.715 29.460 0.106 0.000 1.119 105 W HN 0.122 nan 8.180 nan 0.000 0.542 106 E N 1.105 121.485 120.200 0.299 0.000 2.118 106 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 106 E C 1.785 178.469 176.600 0.140 0.000 0.992 106 E CA 1.406 57.949 56.400 0.238 0.000 0.804 106 E CB -0.023 29.801 29.700 0.207 0.000 0.741 106 E HN 0.284 nan 8.360 nan 0.000 0.458 107 K N -0.172 120.271 120.400 0.072 0.000 2.076 107 K HA -0.009 4.311 4.320 -0.000 0.000 0.204 107 K C 2.166 178.700 176.600 -0.111 0.000 1.051 107 K CA 0.828 57.111 56.287 -0.007 0.000 0.949 107 K CB -0.019 32.470 32.500 -0.017 0.000 0.726 107 K HN 0.088 nan 8.250 nan 0.000 0.443 108 A N 1.651 124.369 122.820 -0.171 0.000 1.898 108 A HA -0.050 4.269 4.320 -0.000 0.000 0.216 108 A C 2.363 179.943 177.584 -0.007 0.000 1.181 108 A CA 1.701 53.620 52.037 -0.196 0.000 0.620 108 A CB -0.608 18.213 19.000 -0.298 0.000 0.819 108 A HN 0.301 nan 8.150 nan 0.000 0.442 109 A N -1.219 121.675 122.820 0.124 0.000 2.067 109 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 109 A C 2.289 179.761 177.584 -0.185 0.000 1.158 109 A CA 1.475 53.630 52.037 0.197 0.000 0.661 109 A CB -1.265 18.003 19.000 0.447 0.000 0.801 109 A HN 0.782 nan 8.150 nan 0.000 0.452 110 C N -0.983 117.991 119.300 -0.544 0.000 2.462 110 C HA -0.044 4.415 4.460 -0.000 0.000 0.278 110 C C 2.415 177.182 174.990 -0.372 0.000 1.253 110 C CA 1.339 59.772 59.018 -0.976 0.000 1.713 110 C CB -1.348 25.999 27.740 -0.655 0.000 2.049 110 C HN 0.479 nan 8.230 nan 0.000 0.477 111 L N 1.793 122.921 121.223 -0.159 0.000 2.042 111 L HA -0.010 4.330 4.340 -0.000 0.000 0.210 111 L C 2.878 179.779 176.870 0.053 0.000 1.076 111 L CA 2.296 57.142 54.840 0.011 0.000 0.749 111 L CB -1.280 40.798 42.059 0.032 0.000 0.893 111 L HN 0.485 nan 8.230 nan 0.000 0.432 112 A N -1.827 120.981 122.820 -0.021 0.000 1.877 112 A HA -0.255 4.064 4.320 -0.000 0.000 0.216 112 A C 2.179 179.768 177.584 0.007 0.000 1.186 112 A CA 1.749 53.749 52.037 -0.061 0.000 0.620 112 A CB -1.214 17.717 19.000 -0.116 0.000 0.822 112 A HN 0.555 nan 8.150 nan 0.000 0.443 113 W N -0.904 120.484 121.300 0.148 0.000 2.467 113 W HA -0.109 4.551 4.660 -0.000 0.000 0.275 113 W C 2.480 179.042 176.519 0.072 0.000 1.239 113 W CA 0.731 58.149 57.345 0.122 0.000 1.266 113 W CB -0.376 29.070 29.460 -0.024 0.000 1.112 113 W HN 0.353 nan 8.180 nan 0.000 0.576 114 C N -0.207 119.204 119.300 0.185 0.000 2.422 114 C HA -0.159 4.301 4.460 -0.000 0.000 0.279 114 C C 2.404 177.548 174.990 0.257 0.000 1.305 114 C CA 0.734 59.811 59.018 0.097 0.000 1.757 114 C CB -1.285 26.386 27.740 -0.114 0.000 1.962 114 C HN 0.294 nan 8.230 nan 0.000 0.499 115 I N 0.264 121.005 120.570 0.285 0.000 2.716 115 I HA -0.064 4.106 4.170 -0.000 0.000 0.259 115 I C 2.367 178.607 176.117 0.206 0.000 1.172 115 I CA 0.959 62.402 61.300 0.238 0.000 1.478 115 I CB -0.575 37.470 38.000 0.074 0.000 1.104 115 I HN 0.291 nan 8.210 nan 0.000 0.439 116 E N 1.163 121.488 120.200 0.208 0.000 2.158 116 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 116 E C 2.277 179.056 176.600 0.297 0.000 0.982 116 E CA 1.035 57.587 56.400 0.253 0.000 0.823 116 E CB 0.008 29.882 29.700 0.291 0.000 0.766 116 E HN 0.520 nan 8.360 nan 0.000 0.468 117 I N 0.579 121.328 120.570 0.298 0.000 2.286 117 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 117 I C 2.381 178.544 176.117 0.076 0.000 1.104 117 I CA 0.418 61.840 61.300 0.203 0.000 1.397 117 I CB -0.143 37.977 38.000 0.201 0.000 1.072 117 I HN 0.061 nan 8.210 nan 0.000 0.417 118 L N 0.853 122.129 121.223 0.087 0.000 2.046 118 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 118 L C 2.539 179.353 176.870 -0.093 0.000 1.077 118 L CA 1.908 56.718 54.840 -0.049 0.000 0.747 118 L CB -0.728 41.399 42.059 0.113 0.000 0.896 118 L HN 0.240 nan 8.230 nan 0.000 0.432 119 Q N -0.224 119.686 119.800 0.184 0.000 2.061 119 Q HA -0.192 4.147 4.340 -0.000 0.000 0.204 119 Q C 2.150 178.259 176.000 0.181 0.000 0.984 119 Q CA 2.398 58.387 55.803 0.311 0.000 0.846 119 Q CB -0.544 28.395 28.738 0.335 0.000 0.902 119 Q HN 0.551 nan 8.270 nan 0.000 0.421 120 A N 0.644 123.532 122.820 0.114 0.000 1.865 120 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 120 A C 2.379 179.965 177.584 0.004 0.000 1.191 120 A CA 2.403 54.472 52.037 0.053 0.000 0.623 120 A CB -1.511 17.498 19.000 0.014 0.000 0.826 120 A HN 0.618 nan 8.150 nan 0.000 0.444 121 A N -1.012 121.771 122.820 -0.063 0.000 1.865 121 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 121 A C 1.948 179.523 177.584 -0.014 0.000 1.191 121 A CA 1.847 53.828 52.037 -0.094 0.000 0.623 121 A CB -0.848 18.042 19.000 -0.184 0.000 0.826 121 A HN 0.458 nan 8.150 nan 0.000 0.444 122 F N -0.004 119.933 119.950 -0.022 0.000 2.171 122 F HA -0.069 4.458 4.527 -0.000 0.000 0.300 122 F C 2.149 177.940 175.800 -0.015 0.000 1.090 122 F CA 0.765 58.715 58.000 -0.085 0.000 1.293 122 F CB -0.791 38.040 39.000 -0.281 0.000 1.013 122 F HN 0.091 nan 8.300 nan 0.000 0.486 123 L N -1.301 120.053 121.223 0.219 0.000 2.109 123 L HA -0.133 4.206 4.340 -0.000 0.000 0.207 123 L C 2.362 179.328 176.870 0.161 0.000 1.086 123 L CA 0.430 55.378 54.840 0.180 0.000 0.760 123 L CB -0.798 41.370 42.059 0.182 0.000 0.910 123 L HN -0.068 nan 8.230 nan 0.000 0.437 124 V N 0.497 120.501 119.914 0.150 0.000 2.287 124 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 124 V C 2.802 178.978 176.094 0.137 0.000 1.053 124 V CA 2.021 64.432 62.300 0.185 0.000 1.027 124 V CB -0.834 31.091 31.823 0.170 0.000 0.646 124 V HN 0.483 nan 8.190 nan 0.000 0.447 125 A N -0.130 122.755 122.820 0.109 0.000 1.902 125 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 125 A C 2.035 179.630 177.584 0.018 0.000 1.181 125 A CA 2.170 54.245 52.037 0.064 0.000 0.623 125 A CB -0.737 18.321 19.000 0.097 0.000 0.818 125 A HN 0.641 nan 8.150 nan 0.000 0.443 126 D N -0.378 120.053 120.400 0.051 0.000 2.117 126 D HA -0.160 4.479 4.640 -0.000 0.000 0.197 126 D C 1.222 177.520 176.300 -0.003 0.000 0.987 126 D CA 1.507 55.524 54.000 0.028 0.000 0.829 126 D CB -0.079 40.760 40.800 0.064 0.000 0.961 126 D HN 0.355 nan 8.370 nan 0.000 0.460 127 D N -0.384 120.025 120.400 0.014 0.000 2.219 127 D HA -0.074 4.566 4.640 -0.000 0.000 0.205 127 D C 2.160 178.260 176.300 -0.333 0.000 0.970 127 D CA 0.477 54.478 54.000 0.002 0.000 0.851 127 D CB -0.036 40.884 40.800 0.201 0.000 0.943 127 D HN 0.416 nan 8.370 nan 0.000 0.488 128 I N 0.371 120.646 120.570 -0.491 0.000 2.202 128 I HA -0.229 3.940 4.170 -0.000 0.000 0.242 128 I C 2.540 178.456 176.117 -0.336 0.000 1.091 128 I CA 0.800 61.659 61.300 -0.735 0.000 1.368 128 I CB -0.195 37.560 38.000 -0.408 0.000 1.058 128 I HN -0.077 nan 8.210 nan 0.000 0.410 129 M N 0.250 119.747 119.600 -0.171 0.000 2.086 129 M HA -0.212 4.267 4.480 -0.000 0.000 0.261 129 M C 1.072 177.333 176.300 -0.065 0.000 1.067 129 M CA 1.719 56.965 55.300 -0.090 0.000 1.116 129 M CB -0.484 32.085 32.600 -0.052 0.000 1.348 129 M HN 0.156 nan 8.290 nan 0.000 0.407 130 D N 0.212 120.583 120.400 -0.049 0.000 2.328 130 D HA 0.075 4.715 4.640 -0.000 0.000 0.221 130 D C -0.133 176.174 176.300 0.012 0.000 1.072 130 D CA 0.229 54.223 54.000 -0.010 0.000 0.850 130 D CB -0.056 40.750 40.800 0.011 0.000 0.922 130 D HN 0.241 nan 8.370 nan 0.000 0.516 131 K N 0.273 120.672 120.400 -0.001 0.000 3.148 131 K HA -0.126 4.193 4.320 -0.000 0.000 0.267 131 K C 0.653 177.366 176.600 0.188 0.000 0.996 131 K CA 0.405 56.754 56.287 0.103 0.000 0.737 131 K CB -1.661 30.889 32.500 0.084 0.000 1.308 131 K HN 0.261 nan 8.250 nan 0.000 0.470 132 G N 0.626 109.558 108.800 0.221 0.000 2.491 132 G HA2 0.057 4.016 3.960 -0.000 0.000 0.238 132 G HA3 0.057 4.016 3.960 -0.000 0.000 0.238 132 G C 0.556 175.629 174.900 0.288 0.000 1.277 132 G CA -0.312 44.933 45.100 0.242 0.000 0.851 132 G HN 0.438 nan 8.290 nan 0.000 0.573 133 E N 0.286 120.599 120.200 0.188 0.000 2.228 133 E HA 0.155 4.505 4.350 -0.000 0.000 0.197 133 E C 0.306 177.027 176.600 0.202 0.000 0.909 133 E CA 0.215 56.714 56.400 0.164 0.000 0.911 133 E CB 0.303 30.076 29.700 0.121 0.000 0.887 133 E HN 0.389 nan 8.360 nan 0.000 0.481 134 M N 0.425 120.123 119.600 0.163 0.000 2.464 134 M HA 0.389 4.868 4.480 -0.000 0.000 0.308 134 M C -1.525 174.851 176.300 0.127 0.000 1.127 134 M CA -0.650 54.731 55.300 0.135 0.000 0.913 134 M CB 2.158 34.799 32.600 0.069 0.000 1.689 134 M HN -0.240 nan 8.290 nan 0.000 0.445 135 R N 2.107 122.680 120.500 0.122 0.000 2.510 135 R HA 0.578 4.918 4.340 -0.000 0.000 0.294 135 R C -0.951 175.375 176.300 0.043 0.000 1.056 135 R CA -0.273 55.892 56.100 0.107 0.000 0.918 135 R CB 0.636 31.037 30.300 0.168 0.000 1.187 135 R HN 0.714 nan 8.270 nan 0.000 0.437 136 R N 3.861 124.377 120.500 0.026 0.000 3.416 136 R HA -0.303 4.037 4.340 -0.000 0.000 0.263 136 R C -0.362 175.911 176.300 -0.044 0.000 1.053 136 R CA 0.812 56.908 56.100 -0.007 0.000 0.705 136 R CB -1.569 28.718 30.300 -0.022 0.000 1.124 136 R HN 0.964 nan 8.270 nan 0.000 0.444 137 N N -1.382 117.297 118.700 -0.035 0.000 2.828 137 N HA -0.174 4.566 4.740 -0.000 0.000 0.248 137 N C -0.643 174.798 175.510 -0.116 0.000 1.044 137 N CA 2.028 55.040 53.050 -0.063 0.000 0.851 137 N CB -0.277 38.176 38.487 -0.055 0.000 1.136 137 N HN 0.551 nan 8.380 nan 0.000 0.572 138 K N -0.308 120.028 120.400 -0.106 0.000 2.350 138 K HA 0.400 4.720 4.320 -0.000 0.000 0.241 138 K C -0.268 176.350 176.600 0.029 0.000 0.994 138 K CA -0.616 55.601 56.287 -0.117 0.000 0.839 138 K CB 1.061 33.439 32.500 -0.205 0.000 1.244 138 K HN -0.022 nan 8.250 nan 0.000 0.443 139 Y N 0.257 120.672 120.300 0.192 0.000 2.480 139 Y HA -0.037 4.513 4.550 -0.000 0.000 0.338 139 Y C 0.721 176.789 175.900 0.279 0.000 1.220 139 Y CA -0.810 57.391 58.100 0.168 0.000 1.430 139 Y CB 0.424 38.945 38.460 0.103 0.000 1.311 139 Y HN 0.428 nan 8.280 nan 0.000 0.575 140 C N 3.842 123.370 119.300 0.380 0.000 2.634 140 C HA -0.190 4.270 4.460 -0.000 0.000 0.417 140 C C 2.002 177.224 174.990 0.387 0.000 1.334 140 C CA -0.826 58.438 59.018 0.410 0.000 1.829 140 C CB -0.299 27.699 27.740 0.430 0.000 2.665 140 C HN 1.105 nan 8.230 nan 0.000 0.614 141 W N 2.356 123.819 121.300 0.271 0.000 2.318 141 W HA -0.239 4.421 4.660 -0.000 0.000 0.313 141 W C 2.103 178.655 176.519 0.055 0.000 1.221 141 W CA 2.287 59.685 57.345 0.089 0.000 1.266 141 W CB -0.462 29.081 29.460 0.137 0.000 1.150 141 W HN 1.016 nan 8.180 nan 0.000 0.496 142 Y N 0.031 120.390 120.300 0.097 0.000 2.403 142 Y HA -0.102 4.448 4.550 -0.000 0.000 0.291 142 Y C 2.041 177.890 175.900 -0.086 0.000 1.143 142 Y CA 1.464 59.546 58.100 -0.030 0.000 1.257 142 Y CB -1.202 37.300 38.460 0.071 0.000 0.984 142 Y HN -0.114 nan 8.280 nan 0.000 0.550 143 L N 0.219 120.993 121.223 -0.748 0.000 2.240 143 L HA -0.003 4.336 4.340 -0.000 0.000 0.211 143 L C 0.290 176.909 176.870 -0.418 0.000 1.106 143 L CA -0.173 54.259 54.840 -0.681 0.000 0.793 143 L CB -0.279 41.416 42.059 -0.608 0.000 0.927 143 L HN 0.135 nan 8.230 nan 0.000 0.446 144 L N 1.016 122.012 121.223 -0.379 0.000 2.499 144 L HA -0.046 4.294 4.340 -0.000 0.000 0.273 144 L C 1.469 178.148 176.870 -0.319 0.000 1.195 144 L CA 0.563 55.189 54.840 -0.356 0.000 0.882 144 L CB 0.000 41.784 42.059 -0.459 0.000 1.133 144 L HN 0.029 nan 8.230 nan 0.000 0.483 145 K N 1.611 121.863 120.400 -0.246 0.000 2.280 145 K HA -0.106 4.214 4.320 -0.000 0.000 0.202 145 K C 0.925 177.420 176.600 -0.174 0.000 1.047 145 K CA 0.937 57.112 56.287 -0.187 0.000 0.942 145 K CB 0.045 32.457 32.500 -0.147 0.000 0.739 145 K HN 0.561 nan 8.250 nan 0.000 0.457 146 D N -0.023 120.255 120.400 -0.204 0.000 2.347 146 D HA -0.026 4.614 4.640 -0.000 0.000 0.213 146 D C 1.600 177.783 176.300 -0.195 0.000 0.985 146 D CA 0.380 54.278 54.000 -0.169 0.000 0.879 146 D CB 0.569 41.280 40.800 -0.148 0.000 0.919 146 D HN -0.071 nan 8.370 nan 0.000 0.526 147 V N -0.096 119.618 119.914 -0.333 0.000 2.988 147 V HA 0.103 4.223 4.120 -0.000 0.000 0.223 147 V C 0.392 176.351 176.094 -0.225 0.000 1.144 147 V CA -0.010 62.057 62.300 -0.388 0.000 1.242 147 V CB -0.071 31.168 31.823 -0.973 0.000 1.073 147 V HN 0.097 nan 8.190 nan 0.000 0.508 148 E N -0.611 119.452 120.200 -0.228 0.000 9.197 148 E HA -0.213 4.137 4.350 -0.000 0.000 0.478 148 E C 0.734 177.342 176.600 0.014 0.000 1.409 148 E CA 0.479 56.820 56.400 -0.098 0.000 2.454 148 E CB -1.012 28.643 29.700 -0.075 0.000 1.029 148 E HN 0.441 nan 8.360 nan 0.000 0.289 149 T N 0.544 115.159 114.554 0.101 0.000 2.759 149 T HA -0.237 4.113 4.350 -0.000 0.000 0.269 149 T C 1.720 176.475 174.700 0.091 0.000 1.042 149 T CA 2.095 64.280 62.100 0.142 0.000 1.140 149 T CB -0.302 68.646 68.868 0.134 0.000 0.864 149 T HN 0.477 nan 8.240 nan 0.000 0.455 150 K N 1.554 121.986 120.400 0.053 0.000 2.074 150 K HA -0.136 4.184 4.320 -0.000 0.000 0.209 150 K C 2.004 178.642 176.600 0.063 0.000 1.048 150 K CA 1.647 57.960 56.287 0.044 0.000 0.926 150 K CB -0.263 32.246 32.500 0.015 0.000 0.713 150 K HN 0.199 nan 8.250 nan 0.000 0.444 151 N N 0.976 119.712 118.700 0.061 0.000 2.290 151 N HA 0.009 4.748 4.740 -0.000 0.000 0.179 151 N C 1.995 177.646 175.510 0.236 0.000 1.016 151 N CA 1.204 54.325 53.050 0.118 0.000 0.871 151 N CB -0.219 38.325 38.487 0.095 0.000 0.987 151 N HN 0.366 nan 8.380 nan 0.000 0.431 152 A N 1.183 124.138 122.820 0.224 0.000 1.917 152 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 152 A C 2.486 180.228 177.584 0.264 0.000 1.182 152 A CA 1.519 53.763 52.037 0.344 0.000 0.633 152 A CB -0.857 18.340 19.000 0.328 0.000 0.819 152 A HN 0.098 nan 8.150 nan 0.000 0.448 153 V N 0.545 120.564 119.914 0.176 0.000 2.295 153 V HA -0.267 3.852 4.120 -0.000 0.000 0.246 153 V C 2.412 178.595 176.094 0.148 0.000 1.049 153 V CA 2.365 64.745 62.300 0.133 0.000 1.024 153 V CB -1.128 30.750 31.823 0.092 0.000 0.648 153 V HN 0.717 nan 8.190 nan 0.000 0.447 154 N N 0.382 119.182 118.700 0.166 0.000 2.188 154 N HA -0.166 4.574 4.740 -0.000 0.000 0.184 154 N C 1.443 177.095 175.510 0.237 0.000 1.018 154 N CA 1.498 54.657 53.050 0.183 0.000 0.858 154 N CB -0.216 38.376 38.487 0.174 0.000 0.989 154 N HN 0.453 nan 8.380 nan 0.000 0.426 155 D N -0.638 119.942 120.400 0.301 0.000 2.178 155 D HA -0.075 4.565 4.640 -0.000 0.000 0.202 155 D C 1.979 178.385 176.300 0.177 0.000 0.974 155 D CA 0.485 54.684 54.000 0.332 0.000 0.841 155 D CB -0.286 40.809 40.800 0.492 0.000 0.953 155 D HN 0.097 nan 8.370 nan 0.000 0.478 156 V N 1.050 121.058 119.914 0.158 0.000 2.295 156 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 156 V C 2.626 178.785 176.094 0.109 0.000 1.049 156 V CA 1.200 63.558 62.300 0.097 0.000 1.024 156 V CB -0.452 31.429 31.823 0.096 0.000 0.648 156 V HN 0.199 nan 8.190 nan 0.000 0.447 157 L N -1.017 120.290 121.223 0.140 0.000 2.083 157 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 157 L C 2.400 179.375 176.870 0.175 0.000 1.083 157 L CA 1.343 56.287 54.840 0.173 0.000 0.752 157 L CB -0.453 41.699 42.059 0.155 0.000 0.899 157 L HN 0.334 nan 8.230 nan 0.000 0.433 158 L N -0.324 120.990 121.223 0.152 0.000 1.994 158 L HA -0.218 4.121 4.340 -0.000 0.000 0.208 158 L C 2.408 179.272 176.870 -0.009 0.000 1.071 158 L CA 1.596 56.505 54.840 0.114 0.000 0.745 158 L CB -0.246 41.900 42.059 0.146 0.000 0.892 158 L HN 0.072 nan 8.230 nan 0.000 0.431 159 L N -1.596 119.576 121.223 -0.084 0.000 2.013 159 L HA -0.295 4.045 4.340 -0.000 0.000 0.212 159 L C 2.540 179.358 176.870 -0.087 0.000 1.073 159 L CA 1.748 56.465 54.840 -0.205 0.000 0.753 159 L CB -0.896 41.025 42.059 -0.230 0.000 0.890 159 L HN 0.359 nan 8.230 nan 0.000 0.432 160 Y N 0.960 121.199 120.300 -0.102 0.000 2.145 160 Y HA -0.249 4.301 4.550 -0.001 0.000 0.286 160 Y C 2.522 178.452 175.900 0.049 0.000 1.145 160 Y CA 1.630 59.700 58.100 -0.050 0.000 1.148 160 Y CB -0.334 38.119 38.460 -0.011 0.000 0.981 160 Y HN 0.213 nan 8.280 nan 0.000 0.507 161 N N -0.361 118.325 118.700 -0.024 0.000 2.331 161 N HA -0.126 4.614 4.740 -0.000 0.000 0.180 161 N C 2.018 177.476 175.510 -0.087 0.000 1.019 161 N CA 1.203 54.247 53.050 -0.009 0.000 0.881 161 N CB -0.248 38.303 38.487 0.108 0.000 0.972 161 N HN 0.514 nan 8.380 nan 0.000 0.435 162 S N 1.127 116.644 115.700 -0.305 0.000 2.399 162 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 162 S C 2.072 176.412 174.600 -0.433 0.000 1.022 162 S CA 0.504 58.254 58.200 -0.749 0.000 0.983 162 S CB -0.570 61.917 63.200 -1.187 0.000 0.803 162 S HN 0.204 nan 8.310 nan 0.000 0.480 163 I N 0.422 120.747 120.570 -0.409 0.000 2.091 163 I HA -0.242 3.928 4.170 -0.000 0.000 0.239 163 I C 2.415 178.170 176.117 -0.603 0.000 1.061 163 I CA 1.992 62.950 61.300 -0.570 0.000 1.317 163 I CB -0.536 36.947 38.000 -0.863 0.000 1.031 163 I HN 0.263 nan 8.210 nan 0.000 0.401 164 Y N 0.450 120.533 120.300 -0.362 0.000 2.293 164 Y HA -0.234 4.315 4.550 -0.001 0.000 0.291 164 Y C 2.478 178.310 175.900 -0.113 0.000 1.137 164 Y CA 1.271 59.217 58.100 -0.258 0.000 1.202 164 Y CB -0.477 37.832 38.460 -0.252 0.000 0.990 164 Y HN 0.066 nan 8.280 nan 0.000 0.537 165 K N 0.938 121.355 120.400 0.028 0.000 2.057 165 K HA -0.095 4.224 4.320 -0.000 0.000 0.206 165 K C 1.760 178.377 176.600 0.028 0.000 1.050 165 K CA 1.363 57.661 56.287 0.019 0.000 0.935 165 K CB -0.723 31.806 32.500 0.048 0.000 0.715 165 K HN 0.322 nan 8.250 nan 0.000 0.439 166 L N 0.232 121.470 121.223 0.025 0.000 2.093 166 L HA -0.095 4.244 4.340 -0.000 0.000 0.208 166 L C 2.302 179.265 176.870 0.154 0.000 1.085 166 L CA 1.135 56.050 54.840 0.125 0.000 0.755 166 L CB -0.309 41.793 42.059 0.071 0.000 0.904 166 L HN 0.166 nan 8.230 nan 0.000 0.435 167 I N -0.516 120.063 120.570 0.016 0.000 2.315 167 I HA -0.276 3.893 4.170 -0.000 0.000 0.248 167 I C 2.569 178.829 176.117 0.238 0.000 1.117 167 I CA 1.170 62.522 61.300 0.086 0.000 1.404 167 I CB -0.286 37.674 38.000 -0.066 0.000 1.071 167 I HN 0.343 nan 8.210 nan 0.000 0.419 168 E N 1.762 122.087 120.200 0.208 0.000 2.031 168 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 168 E C 2.363 178.918 176.600 -0.075 0.000 0.994 168 E CA 1.374 57.837 56.400 0.106 0.000 0.800 168 E CB -0.021 29.748 29.700 0.115 0.000 0.752 168 E HN 0.438 nan 8.360 nan 0.000 0.447 169 I N -0.159 120.358 120.570 -0.089 0.000 2.208 169 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 169 I C 1.720 177.598 176.117 -0.399 0.000 1.097 169 I CA 1.394 62.525 61.300 -0.281 0.000 1.363 169 I CB -0.201 37.571 38.000 -0.380 0.000 1.051 169 I HN 0.225 nan 8.210 nan 0.000 0.413 170 Y N -1.078 119.229 120.300 0.012 0.000 2.481 170 Y HA 0.195 4.744 4.550 -0.001 0.000 0.258 170 Y C 1.347 177.244 175.900 -0.004 0.000 1.103 170 Y CA 0.153 58.270 58.100 0.028 0.000 1.287 170 Y CB 0.471 38.980 38.460 0.083 0.000 1.108 170 Y HN 0.003 nan 8.280 nan 0.000 0.529 171 L N -0.535 120.736 121.223 0.080 0.000 3.410 171 L HA 0.218 4.558 4.340 -0.000 0.000 0.309 171 L C 1.916 178.652 176.870 -0.223 0.000 1.254 171 L CA 0.000 54.864 54.840 0.040 0.000 1.048 171 L CB 0.149 42.315 42.059 0.178 0.000 1.442 171 L HN -0.003 nan 8.230 nan 0.000 0.615 172 R N -0.327 119.856 120.500 -0.529 0.000 2.127 172 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 172 R C 0.802 176.750 176.300 -0.587 0.000 1.134 172 R CA 2.187 57.616 56.100 -1.118 0.000 0.975 172 R CB -0.668 29.201 30.300 -0.719 0.000 0.865 172 R HN 0.395 nan 8.270 nan 0.000 0.447 173 N N 0.299 118.839 118.700 -0.267 0.000 2.336 173 N HA 0.019 4.759 4.740 -0.000 0.000 0.189 173 N C -0.490 174.992 175.510 -0.046 0.000 1.113 173 N CA -0.163 52.812 53.050 -0.126 0.000 0.858 173 N CB 0.309 38.746 38.487 -0.084 0.000 0.970 173 N HN 0.190 nan 8.380 nan 0.000 0.471 174 E N 0.344 120.532 120.200 -0.021 0.000 2.390 174 E HA 0.007 4.357 4.350 -0.000 0.000 0.261 174 E C 0.707 177.365 176.600 0.095 0.000 1.076 174 E CA 0.067 56.499 56.400 0.054 0.000 0.905 174 E CB 1.464 31.218 29.700 0.091 0.000 0.984 174 E HN -0.027 nan 8.360 nan 0.000 0.427 175 S N 1.116 116.869 115.700 0.088 0.000 2.428 175 S HA -0.114 4.355 4.470 -0.000 0.000 0.230 175 S C 1.810 176.477 174.600 0.113 0.000 1.014 175 S CA 1.116 59.370 58.200 0.091 0.000 0.957 175 S CB -0.128 63.113 63.200 0.068 0.000 0.784 175 S HN 0.695 nan 8.310 nan 0.000 0.499 176 C N 0.235 119.609 119.300 0.122 0.000 2.576 176 C HA 0.288 4.747 4.460 -0.000 0.000 0.267 176 C C 2.047 177.125 174.990 0.146 0.000 1.364 176 C CA -0.388 58.698 59.018 0.114 0.000 1.723 176 C CB -2.308 25.495 27.740 0.105 0.000 1.778 176 C HN 0.617 nan 8.230 nan 0.000 0.572 177 Y N 2.900 123.228 120.300 0.047 0.000 2.040 177 Y HA -0.227 4.323 4.550 -0.001 0.000 0.275 177 Y C 2.339 178.276 175.900 0.061 0.000 1.171 177 Y CA 2.393 60.522 58.100 0.049 0.000 1.123 177 Y CB -0.703 37.781 38.460 0.039 0.000 0.963 177 Y HN 0.249 nan 8.280 nan 0.000 0.493 178 V N 0.423 120.299 119.914 -0.063 0.000 2.427 178 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 178 V C 2.089 178.143 176.094 -0.066 0.000 1.051 178 V CA 2.099 64.318 62.300 -0.135 0.000 1.048 178 V CB -0.643 31.169 31.823 -0.019 0.000 0.666 178 V HN 0.396 nan 8.190 nan 0.000 0.456 179 D N -0.004 120.390 120.400 -0.009 0.000 2.178 179 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 179 D C 2.160 178.475 176.300 0.024 0.000 0.974 179 D CA 1.104 55.106 54.000 0.002 0.000 0.841 179 D CB 0.023 40.822 40.800 -0.001 0.000 0.953 179 D HN 0.334 nan 8.370 nan 0.000 0.478 180 V N 1.179 121.120 119.914 0.045 0.000 2.323 180 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 180 V C 2.545 178.765 176.094 0.210 0.000 1.041 180 V CA 0.883 63.259 62.300 0.128 0.000 1.025 180 V CB -0.252 31.658 31.823 0.144 0.000 0.656 180 V HN 0.141 nan 8.190 nan 0.000 0.451 181 I N 0.720 121.321 120.570 0.052 0.000 2.163 181 I HA -0.290 3.879 4.170 -0.000 0.000 0.243 181 I C 2.653 178.907 176.117 0.228 0.000 1.085 181 I CA 1.748 63.121 61.300 0.122 0.000 1.347 181 I CB -0.586 37.347 38.000 -0.111 0.000 1.044 181 I HN 0.296 nan 8.210 nan 0.000 0.408 182 A N 0.098 122.988 122.820 0.117 0.000 1.930 182 A HA -0.179 4.140 4.320 -0.000 0.000 0.217 182 A C 2.368 180.049 177.584 0.160 0.000 1.175 182 A CA 2.294 54.399 52.037 0.114 0.000 0.627 182 A CB -1.001 18.031 19.000 0.054 0.000 0.815 182 A HN 0.406 nan 8.150 nan 0.000 0.443 183 T N -0.734 113.915 114.554 0.157 0.000 2.737 183 T HA -0.093 4.257 4.350 -0.000 0.000 0.265 183 T C 1.559 176.359 174.700 0.167 0.000 1.038 183 T CA 1.544 63.718 62.100 0.124 0.000 1.144 183 T CB -0.423 68.452 68.868 0.011 0.000 0.866 183 T HN 0.409 nan 8.240 nan 0.000 0.434 184 F N 1.135 121.173 119.950 0.147 0.000 2.102 184 F HA -0.013 4.514 4.527 -0.000 0.000 0.298 184 F C 2.731 178.728 175.800 0.328 0.000 1.105 184 F CA 1.151 59.270 58.000 0.197 0.000 1.239 184 F CB -0.173 38.863 39.000 0.060 0.000 0.991 184 F HN -0.078 nan 8.300 nan 0.000 0.474 185 R N 0.439 121.247 120.500 0.513 0.000 2.070 185 R HA -0.152 4.187 4.340 -0.000 0.000 0.233 185 R C 1.831 178.292 176.300 0.268 0.000 1.137 185 R CA 1.918 58.253 56.100 0.392 0.000 0.945 185 R CB -0.501 29.941 30.300 0.237 0.000 0.845 185 R HN 0.115 nan 8.270 nan 0.000 0.430 186 D N -0.346 120.173 120.400 0.199 0.000 2.178 186 D HA -0.077 4.562 4.640 -0.000 0.000 0.202 186 D C 1.601 177.961 176.300 0.100 0.000 0.974 186 D CA 1.388 55.457 54.000 0.115 0.000 0.841 186 D CB -0.187 40.665 40.800 0.087 0.000 0.953 186 D HN 0.331 nan 8.370 nan 0.000 0.478 187 A N 0.154 123.096 122.820 0.204 0.000 1.872 187 A HA -0.129 4.191 4.320 -0.000 0.000 0.214 187 A C 2.345 180.108 177.584 0.299 0.000 1.187 187 A CA 1.850 54.050 52.037 0.272 0.000 0.614 187 A CB -0.896 18.301 19.000 0.329 0.000 0.826 187 A HN 0.177 nan 8.150 nan 0.000 0.442 188 T N 0.627 115.409 114.554 0.379 0.000 2.684 188 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 188 T C 1.827 176.658 174.700 0.218 0.000 1.036 188 T CA 1.599 63.970 62.100 0.451 0.000 1.148 188 T CB -0.441 68.718 68.868 0.485 0.000 0.863 188 T HN 0.342 nan 8.240 nan 0.000 0.436 189 L N 0.269 121.580 121.223 0.146 0.000 2.042 189 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 189 L C 2.682 179.571 176.870 0.032 0.000 1.076 189 L CA 1.476 56.353 54.840 0.062 0.000 0.749 189 L CB -0.370 41.716 42.059 0.044 0.000 0.893 189 L HN 0.214 nan 8.230 nan 0.000 0.432 190 K N -0.923 119.494 120.400 0.028 0.000 2.097 190 K HA -0.115 4.204 4.320 -0.000 0.000 0.205 190 K C 2.053 178.722 176.600 0.115 0.000 1.050 190 K CA 1.697 58.019 56.287 0.058 0.000 0.938 190 K CB -0.130 32.249 32.500 -0.202 0.000 0.718 190 K HN 0.287 nan 8.250 nan 0.000 0.442 191 T N 1.547 116.122 114.554 0.036 0.000 2.708 191 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 191 T C 1.871 176.465 174.700 -0.177 0.000 1.037 191 T CA 1.144 63.158 62.100 -0.144 0.000 1.146 191 T CB -0.190 68.330 68.868 -0.580 0.000 0.865 191 T HN 0.111 nan 8.240 nan 0.000 0.435 192 I N 0.353 120.852 120.570 -0.118 0.000 2.208 192 I HA -0.158 4.011 4.170 -0.000 0.000 0.245 192 I C 2.127 178.241 176.117 -0.005 0.000 1.097 192 I CA 1.049 62.314 61.300 -0.058 0.000 1.363 192 I CB -0.359 37.631 38.000 -0.017 0.000 1.051 192 I HN 0.141 nan 8.210 nan 0.000 0.413 193 I N 0.900 121.468 120.570 -0.004 0.000 2.226 193 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 193 I C 2.560 178.696 176.117 0.033 0.000 1.100 193 I CA 1.697 62.992 61.300 -0.008 0.000 1.374 193 I CB -1.202 36.742 38.000 -0.094 0.000 1.057 193 I HN 0.180 nan 8.210 nan 0.000 0.413 194 G N -0.630 108.200 108.800 0.050 0.000 2.418 194 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 194 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 194 G C 1.548 176.461 174.900 0.021 0.000 1.158 194 G CA 0.315 45.456 45.100 0.068 0.000 0.771 194 G HN 0.311 nan 8.290 nan 0.000 0.545 195 Q N -0.164 119.633 119.800 -0.006 0.000 2.167 195 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 195 Q C 2.152 178.154 176.000 0.003 0.000 0.970 195 Q CA 1.581 57.369 55.803 -0.025 0.000 0.855 195 Q CB -0.422 28.277 28.738 -0.065 0.000 0.911 195 Q HN 0.785 nan 8.270 nan 0.000 0.438 196 H N 0.549 119.598 119.070 -0.034 0.000 2.326 196 H HA -0.001 4.554 4.556 -0.001 0.000 0.301 196 H C 2.018 177.350 175.328 0.007 0.000 1.081 196 H CA 1.360 57.401 56.048 -0.012 0.000 1.334 196 H CB -0.114 29.648 29.762 -0.001 0.000 1.385 196 H HN 0.083 nan 8.280 nan 0.000 0.504 197 L N 0.279 121.504 121.223 0.003 0.000 2.056 197 L HA -0.162 4.177 4.340 -0.000 0.000 0.207 197 L C 2.481 179.286 176.870 -0.109 0.000 1.078 197 L CA 1.604 56.423 54.840 -0.036 0.000 0.749 197 L CB -0.535 41.521 42.059 -0.005 0.000 0.901 197 L HN 0.505 nan 8.230 nan 0.000 0.433 198 D N -0.385 119.961 120.400 -0.090 0.000 2.149 198 D HA -0.201 4.439 4.640 -0.000 0.000 0.198 198 D C 1.748 177.980 176.300 -0.114 0.000 0.990 198 D CA 1.837 55.780 54.000 -0.095 0.000 0.839 198 D CB 0.258 41.028 40.800 -0.051 0.000 0.948 198 D HN 0.240 nan 8.370 nan 0.000 0.460 199 T N -0.187 114.287 114.554 -0.133 0.000 3.035 199 T HA 0.062 4.411 4.350 -0.000 0.000 0.259 199 T C 1.324 175.912 174.700 -0.187 0.000 1.078 199 T CA 0.368 62.386 62.100 -0.137 0.000 1.132 199 T CB 0.175 68.965 68.868 -0.129 0.000 0.900 199 T HN 0.192 nan 8.240 nan 0.000 0.480 200 N N 0.127 118.669 118.700 -0.263 0.000 2.159 200 N HA 0.189 4.929 4.740 -0.000 0.000 0.217 200 N C 1.226 176.665 175.510 -0.119 0.000 1.223 200 N CA -0.056 52.817 53.050 -0.296 0.000 0.896 200 N CB 0.502 38.641 38.487 -0.580 0.000 1.064 200 N HN 0.175 nan 8.380 nan 0.000 0.518 201 I N 0.586 121.098 120.570 -0.097 0.000 2.315 201 I HA -0.202 3.968 4.170 -0.000 0.000 0.251 201 I C 0.845 176.972 176.117 0.016 0.000 1.125 201 I CA 1.545 62.800 61.300 -0.075 0.000 1.392 201 I CB -0.053 37.759 38.000 -0.313 0.000 1.065 201 I HN -0.046 nan 8.210 nan 0.000 0.424 202 F N -0.212 119.745 119.950 0.012 0.000 2.678 202 F HA 0.300 4.827 4.527 -0.001 0.000 0.305 202 F C 1.547 177.331 175.800 -0.027 0.000 1.090 202 F CA -0.312 57.684 58.000 -0.007 0.000 1.272 202 F CB -1.325 37.666 39.000 -0.014 0.000 1.060 202 F HN -0.043 nan 8.300 nan 0.000 0.576 203 S N -0.050 115.695 115.700 0.074 0.000 2.568 203 S HA -0.020 4.450 4.470 -0.000 0.000 0.282 203 S C 1.061 175.641 174.600 -0.033 0.000 1.338 203 S CA -0.469 57.700 58.200 -0.052 0.000 1.045 203 S CB 0.906 63.964 63.200 -0.236 0.000 0.873 203 S HN 0.139 nan 8.310 nan 0.000 0.516 204 D N 1.975 122.354 120.400 -0.035 0.000 2.149 204 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 204 D C 2.002 178.302 176.300 0.001 0.000 0.990 204 D CA 1.865 55.861 54.000 -0.008 0.000 0.839 204 D CB -0.291 40.500 40.800 -0.014 0.000 0.948 204 D HN 0.914 nan 8.370 nan 0.000 0.460 205 K N -0.116 120.248 120.400 -0.061 0.000 2.281 205 K HA -0.171 4.149 4.320 -0.000 0.000 0.203 205 K C 1.573 178.279 176.600 0.177 0.000 1.046 205 K CA 1.209 57.485 56.287 -0.019 0.000 0.938 205 K CB -0.433 31.994 32.500 -0.121 0.000 0.737 205 K HN 0.357 nan 8.250 nan 0.000 0.458 206 Y N 1.074 121.387 120.300 0.021 0.000 2.458 206 Y HA 0.195 4.744 4.550 -0.000 0.000 0.254 206 Y C 0.782 176.695 175.900 0.023 0.000 1.120 206 Y CA -1.126 56.986 58.100 0.021 0.000 1.282 206 Y CB 0.879 39.349 38.460 0.016 0.000 1.109 206 Y HN 0.011 nan 8.280 nan 0.000 0.526 211 R N 1.928 122.453 120.500 0.042 0.000 2.446 211 R HA 0.070 4.410 4.340 -0.000 0.000 0.325 211 R C 0.087 176.419 176.300 0.053 0.000 0.997 211 R CA 0.148 56.275 56.100 0.045 0.000 1.010 211 R CB -0.058 30.273 30.300 0.052 0.000 0.946 211 R HN 0.891 nan 8.270 nan 0.000 0.422 212 E N 4.017 124.240 120.200 0.038 0.000 2.301 212 E HA 0.063 4.412 4.350 -0.000 0.000 0.275 212 E C -0.148 176.471 176.600 0.032 0.000 1.030 212 E CA -0.551 55.871 56.400 0.037 0.000 0.852 212 E CB 0.902 30.617 29.700 0.025 0.000 1.060 212 E HN 0.578 nan 8.360 nan 0.000 0.401 213 I N 3.406 123.997 120.570 0.035 0.000 2.533 213 I HA 0.048 4.218 4.170 -0.000 0.000 0.284 213 I C -0.132 175.992 176.117 0.012 0.000 1.109 213 I CA -0.264 61.048 61.300 0.019 0.000 1.412 213 I CB 0.615 38.627 38.000 0.021 0.000 1.396 213 I HN 0.390 nan 8.210 nan 0.000 0.543 214 D N 6.778 127.180 120.400 0.004 0.000 2.359 214 D HA 0.034 4.674 4.640 -0.000 0.000 0.250 214 D C 1.096 177.397 176.300 0.001 0.000 1.264 214 D CA -0.194 53.808 54.000 0.003 0.000 0.911 214 D CB 1.187 41.986 40.800 -0.000 0.000 1.056 214 D HN 0.502 nan 8.370 nan 0.000 0.499 215 V N 1.468 121.385 119.914 0.004 0.000 3.573 215 V HA 0.121 4.241 4.120 -0.000 0.000 0.270 215 V C 0.621 176.716 176.094 0.002 0.000 1.221 215 V CA 0.645 62.947 62.300 0.004 0.000 1.163 215 V CB -0.718 31.109 31.823 0.006 0.000 0.847 215 V HN 0.321 nan 8.190 nan 0.000 0.468 216 N N 0.625 119.326 118.700 0.002 0.000 2.171 216 N HA 0.156 4.895 4.740 -0.000 0.000 0.212 216 N C 0.254 175.764 175.510 -0.001 0.000 1.184 216 N CA -0.068 52.983 53.050 0.001 0.000 0.888 216 N CB 0.182 38.670 38.487 0.001 0.000 1.038 216 N HN 0.455 nan 8.380 nan 0.000 0.517 217 N N 1.620 120.319 118.700 -0.002 0.000 2.457 217 N HA 0.215 4.955 4.740 -0.000 0.000 0.250 217 N C -0.049 175.459 175.510 -0.004 0.000 0.982 217 N CA -0.440 52.608 53.050 -0.003 0.000 0.941 217 N CB 0.563 39.047 38.487 -0.005 0.000 1.120 217 N HN 0.242 nan 8.380 nan 0.000 0.505 218 I N -0.286 120.281 120.570 -0.004 0.000 4.338 218 I HA 0.494 4.664 4.170 -0.000 0.000 0.329 218 I C 0.020 176.135 176.117 -0.004 0.000 1.378 218 I CA -0.197 61.101 61.300 -0.003 0.000 1.170 218 I CB 0.338 38.337 38.000 -0.002 0.000 1.206 218 I HN 0.148 nan 8.210 nan 0.000 0.432 219 N N 0.693 119.391 118.700 -0.004 0.000 2.325 219 N HA 0.240 4.979 4.740 -0.000 0.000 0.220 219 N C 0.151 175.658 175.510 -0.005 0.000 1.176 219 N CA 0.367 53.414 53.050 -0.004 0.000 0.861 219 N CB 1.635 40.120 38.487 -0.004 0.000 1.230 219 N HN 0.106 nan 8.380 nan 0.000 0.479 220 V N 4.636 124.546 119.914 -0.006 0.000 2.304 220 V HA 0.314 4.434 4.120 -0.000 0.000 0.262 220 V C -2.098 173.991 176.094 -0.008 0.000 1.061 220 V CA -1.317 60.979 62.300 -0.007 0.000 0.872 220 V CB 0.570 32.389 31.823 -0.006 0.000 1.077 220 V HN -0.007 nan 8.190 nan 0.000 0.480 221 P HA 0.191 nan 4.420 nan 0.000 0.272 221 P C -0.113 177.180 177.300 -0.011 0.000 1.223 221 P CA -0.359 62.734 63.100 -0.010 0.000 0.784 221 P CB 0.787 32.481 31.700 -0.009 0.000 0.923 222 E N 1.307 121.499 120.200 -0.014 0.000 2.338 222 E HA 0.034 4.384 4.350 -0.000 0.000 0.272 222 E C -0.395 176.199 176.600 -0.011 0.000 1.029 222 E CA -0.402 55.989 56.400 -0.014 0.000 0.872 222 E CB 0.419 30.106 29.700 -0.021 0.000 1.015 222 E HN 0.299 nan 8.360 nan 0.000 0.417 223 Q N 4.717 124.512 119.800 -0.009 0.000 2.349 223 Q HA 0.267 4.606 4.340 -0.000 0.000 0.254 223 Q C -2.198 173.799 176.000 -0.005 0.000 0.980 223 Q CA -1.968 53.830 55.803 -0.008 0.000 0.924 223 Q CB 1.090 29.822 28.738 -0.010 0.000 1.209 223 Q HN 0.374 nan 8.270 nan 0.000 0.445 224 P HA 0.024 nan 4.420 nan 0.000 0.267 224 P C -0.741 176.562 177.300 0.005 0.000 1.209 224 P CA -0.038 63.072 63.100 0.017 0.000 0.763 224 P CB 0.596 32.314 31.700 0.031 0.000 0.816 225 V N 2.010 121.916 119.914 -0.013 0.000 2.925 225 V HA 0.592 4.712 4.120 -0.000 0.000 0.311 225 V C 0.067 176.039 176.094 -0.204 0.000 1.104 225 V CA -1.433 60.822 62.300 -0.074 0.000 0.954 225 V CB 1.700 33.483 31.823 -0.066 0.000 1.022 225 V HN 0.503 nan 8.190 nan 0.000 0.427 226 I N -0.058 120.261 120.570 -0.417 0.000 2.779 226 I HA 0.598 4.767 4.170 -0.000 0.000 0.285 226 I C -0.347 175.345 176.117 -0.709 0.000 1.134 226 I CA 0.289 60.945 61.300 -1.073 0.000 1.398 226 I CB 0.867 38.177 38.000 -1.149 0.000 1.404 226 I HN 0.746 nan 8.210 nan 0.000 0.587 227 D N 4.678 124.635 120.400 -0.738 0.000 2.441 227 D HA 0.234 4.874 4.640 -0.000 0.000 0.231 227 D C 1.008 177.185 176.300 -0.204 0.000 1.073 227 D CA -0.728 53.160 54.000 -0.185 0.000 0.850 227 D CB 1.518 42.392 40.800 0.123 0.000 1.062 227 D HN 0.527 nan 8.370 nan 0.000 0.524 228 I N 1.400 121.828 120.570 -0.237 0.000 2.423 228 I HA -0.158 4.012 4.170 -0.000 0.000 0.254 228 I C 1.449 177.475 176.117 -0.151 0.000 1.151 228 I CA 0.894 62.031 61.300 -0.272 0.000 1.421 228 I CB -1.299 36.643 38.000 -0.097 0.000 1.079 228 I HN 0.346 nan 8.210 nan 0.000 0.431 229 N N 0.316 118.979 118.700 -0.061 0.000 2.453 229 N HA 0.011 4.751 4.740 -0.000 0.000 0.183 229 N C 1.479 176.982 175.510 -0.013 0.000 1.041 229 N CA 1.282 54.318 53.050 -0.024 0.000 0.900 229 N CB -0.277 38.209 38.487 -0.001 0.000 0.961 229 N HN 0.464 nan 8.380 nan 0.000 0.443 230 M N -0.075 119.538 119.600 0.021 0.000 2.414 230 M HA 0.238 4.718 4.480 -0.000 0.000 0.251 230 M C 0.313 176.613 176.300 0.000 0.000 1.116 230 M CA 0.028 55.358 55.300 0.050 0.000 1.056 230 M CB -0.009 32.681 32.600 0.149 0.000 1.388 230 M HN -0.070 nan 8.290 nan 0.000 0.487 231 I N 2.961 123.470 120.570 -0.102 0.000 2.270 231 I HA 0.037 4.207 4.170 -0.000 0.000 0.300 231 I C -0.368 175.586 176.117 -0.272 0.000 1.186 231 I CA -0.243 60.900 61.300 -0.261 0.000 1.431 231 I CB -1.021 36.596 38.000 -0.638 0.000 1.485 231 I HN 0.302 nan 8.210 nan 0.000 0.650 232 N N 2.369 120.930 118.700 -0.231 0.000 2.598 232 N HA 0.299 5.039 4.740 -0.000 0.000 0.263 232 N C -0.129 175.280 175.510 -0.168 0.000 1.254 232 N CA -0.840 52.063 53.050 -0.245 0.000 0.863 232 N CB 0.694 39.128 38.487 -0.090 0.000 1.586 232 N HN -0.084 nan 8.380 nan 0.000 0.491 233 F N 0.176 120.147 119.950 0.035 0.000 2.365 233 F HA 0.185 4.711 4.527 -0.000 0.000 0.300 233 F C 2.350 178.251 175.800 0.168 0.000 1.090 233 F CA 1.361 59.435 58.000 0.123 0.000 1.408 233 F CB -0.563 38.500 39.000 0.105 0.000 1.060 233 F HN 0.828 nan 8.300 nan 0.000 0.534 234 G N 0.018 108.969 108.800 0.251 0.000 2.433 234 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 234 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 234 G C 1.868 176.855 174.900 0.145 0.000 1.186 234 G CA 1.239 46.444 45.100 0.174 0.000 0.779 234 G HN 0.243 nan 8.290 nan 0.000 0.543 235 V N -0.155 119.825 119.914 0.110 0.000 2.307 235 V HA -0.179 3.940 4.120 -0.000 0.000 0.245 235 V C 2.275 178.432 176.094 0.105 0.000 1.045 235 V CA 1.787 64.128 62.300 0.068 0.000 1.024 235 V CB -0.757 31.077 31.823 0.019 0.000 0.651 235 V HN 0.455 nan 8.190 nan 0.000 0.449 236 Y N 1.314 121.646 120.300 0.053 0.000 2.114 236 Y HA -0.301 4.249 4.550 -0.001 0.000 0.282 236 Y C 2.550 178.539 175.900 0.147 0.000 1.165 236 Y CA 2.067 60.227 58.100 0.101 0.000 1.148 236 Y CB -0.258 38.312 38.460 0.182 0.000 0.972 236 Y HN 0.154 nan 8.280 nan 0.000 0.504 237 K N 0.057 120.579 120.400 0.205 0.000 2.097 237 K HA -0.206 4.113 4.320 -0.000 0.000 0.206 237 K C 1.932 178.573 176.600 0.069 0.000 1.049 237 K CA 1.668 58.026 56.287 0.118 0.000 0.933 237 K CB -0.377 32.236 32.500 0.189 0.000 0.717 237 K HN 0.536 nan 8.250 nan 0.000 0.442 238 N N 0.722 119.481 118.700 0.098 0.000 2.104 238 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 238 N C 1.910 177.521 175.510 0.169 0.000 1.024 238 N CA 1.107 54.243 53.050 0.144 0.000 0.853 238 N CB -0.119 38.411 38.487 0.071 0.000 1.008 238 N HN 0.125 nan 8.380 nan 0.000 0.424 239 I N 0.383 120.966 120.570 0.022 0.000 2.163 239 I HA -0.203 3.967 4.170 -0.000 0.000 0.240 239 I C 2.217 178.331 176.117 -0.004 0.000 1.081 239 I CA 0.862 62.153 61.300 -0.017 0.000 1.353 239 I CB -0.288 37.647 38.000 -0.108 0.000 1.054 239 I HN -0.027 nan 8.210 nan 0.000 0.407 240 V N 0.977 120.808 119.914 -0.138 0.000 2.407 240 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 240 V C 2.297 178.399 176.094 0.013 0.000 1.055 240 V CA 1.766 63.985 62.300 -0.135 0.000 1.049 240 V CB -0.232 31.350 31.823 -0.402 0.000 0.662 240 V HN 0.310 nan 8.190 nan 0.000 0.455 241 I N -0.985 119.602 120.570 0.028 0.000 2.252 241 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 241 I C 2.342 178.474 176.117 0.025 0.000 1.102 241 I CA 1.629 62.921 61.300 -0.012 0.000 1.385 241 I CB -0.195 37.787 38.000 -0.029 0.000 1.064 241 I HN 0.403 nan 8.210 nan 0.000 0.414 242 H N 0.241 119.413 119.070 0.169 0.000 2.329 242 H HA -0.094 4.462 4.556 -0.000 0.000 0.306 242 H C 2.069 177.488 175.328 0.151 0.000 1.062 242 H CA 1.455 57.621 56.048 0.196 0.000 1.364 242 H CB -0.058 29.754 29.762 0.084 0.000 1.409 242 H HN 0.222 nan 8.280 nan 0.000 0.519 243 K N -0.319 120.196 120.400 0.190 0.000 2.365 243 K HA 0.020 4.339 4.320 -0.000 0.000 0.199 243 K C 0.790 177.526 176.600 0.227 0.000 1.045 243 K CA 1.883 58.237 56.287 0.112 0.000 0.962 243 K CB 0.360 32.888 32.500 0.047 0.000 0.759 243 K HN 0.121 nan 8.250 nan 0.000 0.469 244 T N -0.608 114.095 114.554 0.249 0.000 3.115 244 T HA 0.265 4.614 4.350 -0.000 0.000 0.256 244 T C 1.856 176.675 174.700 0.198 0.000 0.970 244 T CA 0.186 62.452 62.100 0.276 0.000 1.010 244 T CB 0.120 69.149 68.868 0.269 0.000 1.151 244 T HN 0.264 nan 8.240 nan 0.000 0.479 245 A N 0.707 123.629 122.820 0.170 0.000 1.902 245 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 245 A C 1.934 179.534 177.584 0.028 0.000 1.181 245 A CA 1.528 53.628 52.037 0.105 0.000 0.623 245 A CB -1.028 17.892 19.000 -0.134 0.000 0.818 245 A HN 0.546 nan 8.150 nan 0.000 0.443 246 Y N -1.178 119.205 120.300 0.139 0.000 2.133 246 Y HA -0.248 4.302 4.550 -0.001 0.000 0.287 246 Y C 2.470 178.515 175.900 0.241 0.000 1.134 246 Y CA 2.175 60.389 58.100 0.190 0.000 1.133 246 Y CB -0.648 37.885 38.460 0.123 0.000 0.987 246 Y HN 0.636 nan 8.280 nan 0.000 0.502 247 Y N -2.383 118.076 120.300 0.265 0.000 2.475 247 Y HA 0.107 4.656 4.550 -0.000 0.000 0.289 247 Y C 1.906 177.842 175.900 0.059 0.000 1.121 247 Y CA 0.866 59.085 58.100 0.198 0.000 1.257 247 Y CB -0.532 38.129 38.460 0.335 0.000 1.026 247 Y HN -0.116 nan 8.280 nan 0.000 0.555 248 S N -0.613 114.724 115.700 -0.605 0.000 2.483 248 S HA 0.183 4.653 4.470 -0.000 0.000 0.221 248 S C 0.817 174.843 174.600 -0.956 0.000 1.030 248 S CA 0.565 58.233 58.200 -0.887 0.000 0.925 248 S CB -0.136 62.491 63.200 -0.955 0.000 0.795 248 S HN 0.480 nan 8.310 nan 0.000 0.511 249 F N -1.221 118.623 119.950 -0.178 0.000 2.495 249 F HA 0.381 4.908 4.527 -0.000 0.000 0.272 249 F C 1.501 177.270 175.800 -0.052 0.000 0.919 249 F CA -0.605 57.312 58.000 -0.139 0.000 1.178 249 F CB -0.513 38.406 39.000 -0.136 0.000 1.030 249 F HN 0.081 nan 8.300 nan 0.000 0.777 250 F N 1.143 121.102 119.950 0.015 0.000 2.051 250 F HA -0.180 4.347 4.527 -0.001 0.000 0.296 250 F C 2.289 178.092 175.800 0.005 0.000 1.122 250 F CA 1.484 59.486 58.000 0.003 0.000 1.201 250 F CB -0.719 38.273 39.000 -0.013 0.000 0.978 250 F HN -0.051 nan 8.300 nan 0.000 0.472 251 L N 1.803 123.027 121.223 0.002 0.000 1.971 251 L HA -0.137 4.203 4.340 -0.000 0.000 0.215 251 L C -0.714 175.992 176.870 -0.273 0.000 1.072 251 L CA 2.395 57.119 54.840 -0.193 0.000 0.758 251 L CB -2.111 39.856 42.059 -0.154 0.000 0.889 251 L HN 0.056 nan 8.230 nan 0.000 0.433 252 P HA -0.170 nan 4.420 nan 0.000 0.216 252 P C 2.099 179.301 177.300 -0.163 0.000 1.150 252 P CA 1.866 64.845 63.100 -0.202 0.000 0.837 252 P CB -0.101 31.466 31.700 -0.221 0.000 0.786 253 I N -0.724 119.751 120.570 -0.157 0.000 2.202 253 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 253 I C 2.532 178.563 176.117 -0.142 0.000 1.091 253 I CA 1.139 62.361 61.300 -0.131 0.000 1.368 253 I CB -0.935 37.004 38.000 -0.102 0.000 1.058 253 I HN -0.218 nan 8.210 nan 0.000 0.410 254 V N 0.151 119.919 119.914 -0.243 0.000 2.407 254 V HA -0.317 3.802 4.120 -0.000 0.000 0.248 254 V C 2.624 178.682 176.094 -0.060 0.000 1.055 254 V CA 1.724 63.925 62.300 -0.165 0.000 1.049 254 V CB -0.692 30.838 31.823 -0.489 0.000 0.662 254 V HN 0.580 nan 8.190 nan 0.000 0.455 255 C N 0.763 119.997 119.300 -0.109 0.000 2.413 255 C HA -0.119 4.340 4.460 -0.000 0.000 0.277 255 C C 2.985 177.988 174.990 0.023 0.000 1.228 255 C CA 1.138 60.133 59.018 -0.039 0.000 1.731 255 C CB -1.649 26.051 27.740 -0.067 0.000 2.042 255 C HN 0.680 nan 8.230 nan 0.000 0.468 256 G N -0.369 108.444 108.800 0.022 0.000 2.422 256 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 256 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 256 G C 1.601 176.591 174.900 0.151 0.000 1.146 256 G CA 0.823 45.991 45.100 0.114 0.000 0.769 256 G HN 0.518 nan 8.290 nan 0.000 0.547 257 M N -0.290 119.350 119.600 0.067 0.000 2.123 257 M HA 0.144 4.624 4.480 -0.000 0.000 0.263 257 M C 2.556 178.950 176.300 0.157 0.000 1.069 257 M CA 0.935 56.267 55.300 0.053 0.000 1.133 257 M CB -0.303 32.271 32.600 -0.044 0.000 1.356 257 M HN 0.128 nan 8.290 nan 0.000 0.415 258 L N -0.301 121.033 121.223 0.185 0.000 2.046 258 L HA -0.213 4.126 4.340 -0.000 0.000 0.208 258 L C 2.434 179.391 176.870 0.145 0.000 1.077 258 L CA 0.703 55.639 54.840 0.161 0.000 0.747 258 L CB -0.586 41.529 42.059 0.092 0.000 0.896 258 L HN 0.276 nan 8.230 nan 0.000 0.432 259 L N 0.024 121.339 121.223 0.154 0.000 2.093 259 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 259 L C 2.445 179.514 176.870 0.332 0.000 1.085 259 L CA 1.832 56.778 54.840 0.177 0.000 0.755 259 L CB -0.639 41.437 42.059 0.029 0.000 0.904 259 L HN 0.143 nan 8.230 nan 0.000 0.435 260 A N -1.313 121.699 122.820 0.321 0.000 2.206 260 A HA 0.369 4.689 4.320 -0.000 0.000 0.211 260 A C 1.663 179.281 177.584 0.056 0.000 1.158 260 A CA 0.725 52.824 52.037 0.103 0.000 0.761 260 A CB -0.761 18.194 19.000 -0.076 0.000 0.801 260 A HN 0.781 nan 8.150 nan 0.000 0.473 261 G N -1.106 107.754 108.800 0.100 0.000 2.134 261 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.209 261 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.209 261 G C 0.192 175.147 174.900 0.092 0.000 0.993 261 G CA 0.117 45.268 45.100 0.085 0.000 0.669 261 G HN 0.410 nan 8.290 nan 0.000 0.519 266 N N 0.944 119.786 118.700 0.236 0.000 2.458 266 N HA 0.179 4.918 4.740 -0.000 0.000 0.258 266 N C 1.191 176.827 175.510 0.210 0.000 1.219 266 N CA -0.084 53.086 53.050 0.199 0.000 0.902 266 N CB 1.276 39.867 38.487 0.174 0.000 1.076 266 N HN 0.401 nan 8.380 nan 0.000 0.455 267 L N 4.038 125.335 121.223 0.124 0.000 2.456 267 L HA -0.051 4.289 4.340 -0.000 0.000 0.224 267 L C 2.200 179.122 176.870 0.087 0.000 1.148 267 L CA 0.304 55.210 54.840 0.109 0.000 0.825 267 L CB -0.176 41.929 42.059 0.077 0.000 0.937 267 L HN 0.658 nan 8.230 nan 0.000 0.450 268 I N -1.270 119.319 120.570 0.031 0.000 2.361 268 I HA -0.347 3.823 4.170 -0.000 0.000 0.251 268 I C 2.185 178.265 176.117 -0.062 0.000 1.133 268 I CA 1.360 62.624 61.300 -0.060 0.000 1.413 268 I CB 0.043 37.950 38.000 -0.155 0.000 1.073 268 I HN 0.157 nan 8.210 nan 0.000 0.424 269 Y N 0.688 121.026 120.300 0.063 0.000 2.256 269 Y HA -0.286 4.263 4.550 -0.000 0.000 0.288 269 Y C 2.903 178.912 175.900 0.181 0.000 1.155 269 Y CA 1.650 59.822 58.100 0.119 0.000 1.203 269 Y CB -0.815 37.719 38.460 0.124 0.000 0.980 269 Y HN 0.009 nan 8.280 nan 0.000 0.530 270 K N 0.465 121.014 120.400 0.248 0.000 2.103 270 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 270 K C 1.931 178.586 176.600 0.091 0.000 1.052 270 K CA 1.255 57.634 56.287 0.153 0.000 0.945 270 K CB -0.230 32.333 32.500 0.104 0.000 0.722 270 K HN 0.404 nan 8.250 nan 0.000 0.443 271 K N 0.131 120.569 120.400 0.062 0.000 2.057 271 K HA 0.019 4.339 4.320 -0.000 0.000 0.207 271 K C 2.084 178.690 176.600 0.010 0.000 1.049 271 K CA 1.557 57.849 56.287 0.009 0.000 0.931 271 K CB -0.215 32.270 32.500 -0.024 0.000 0.714 271 K HN 0.170 nan 8.250 nan 0.000 0.440 272 I N 1.588 122.191 120.570 0.055 0.000 2.226 272 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 272 I C 2.333 178.568 176.117 0.195 0.000 1.100 272 I CA 1.481 62.836 61.300 0.092 0.000 1.374 272 I CB -0.895 37.153 38.000 0.081 0.000 1.057 272 I HN 0.309 nan 8.210 nan 0.000 0.413 273 E N 0.847 121.197 120.200 0.251 0.000 2.058 273 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 273 E C 1.676 178.203 176.600 -0.121 0.000 0.997 273 E CA 1.611 58.000 56.400 -0.018 0.000 0.801 273 E CB 0.151 29.735 29.700 -0.195 0.000 0.746 273 E HN 0.399 nan 8.360 nan 0.000 0.450 274 D N 0.210 120.570 120.400 -0.065 0.000 2.117 274 D HA -0.143 4.496 4.640 -0.000 0.000 0.197 274 D C 2.010 178.247 176.300 -0.105 0.000 0.987 274 D CA 0.875 54.824 54.000 -0.085 0.000 0.829 274 D CB -0.206 40.562 40.800 -0.053 0.000 0.961 274 D HN 0.293 nan 8.370 nan 0.000 0.460 275 I N 0.838 121.352 120.570 -0.094 0.000 2.226 275 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 275 I C 2.322 178.332 176.117 -0.180 0.000 1.100 275 I CA 0.828 62.047 61.300 -0.135 0.000 1.374 275 I CB -0.159 37.768 38.000 -0.122 0.000 1.057 275 I HN -0.125 nan 8.210 nan 0.000 0.413 276 S N 0.449 116.078 115.700 -0.119 0.000 2.383 276 S HA -0.170 4.299 4.470 -0.000 0.000 0.229 276 S C 2.001 176.465 174.600 -0.225 0.000 1.030 276 S CA 1.300 59.432 58.200 -0.114 0.000 1.002 276 S CB -0.180 63.056 63.200 0.060 0.000 0.829 276 S HN 0.309 nan 8.310 nan 0.000 0.467 277 M N 0.556 120.013 119.600 -0.238 0.000 2.099 277 M HA 0.048 4.528 4.480 -0.000 0.000 0.262 277 M C 1.912 178.127 176.300 -0.141 0.000 1.067 277 M CA 1.100 56.273 55.300 -0.212 0.000 1.124 277 M CB -1.575 30.912 32.600 -0.189 0.000 1.353 277 M HN 0.240 nan 8.290 nan 0.000 0.410 278 L N -0.116 121.017 121.223 -0.150 0.000 2.046 278 L HA -0.104 4.235 4.340 -0.000 0.000 0.208 278 L C 2.477 179.247 176.870 -0.167 0.000 1.077 278 L CA 1.765 56.529 54.840 -0.127 0.000 0.747 278 L CB -1.108 40.853 42.059 -0.164 0.000 0.896 278 L HN 0.313 nan 8.230 nan 0.000 0.432 279 M N -1.566 117.814 119.600 -0.366 0.000 2.200 279 M HA -0.077 4.402 4.480 -0.000 0.000 0.265 279 M C 2.177 178.107 176.300 -0.616 0.000 1.066 279 M CA 1.561 56.464 55.300 -0.662 0.000 1.127 279 M CB -0.758 31.117 32.600 -1.209 0.000 1.379 279 M HN 0.358 nan 8.290 nan 0.000 0.420 280 G N -0.189 108.372 108.800 -0.398 0.000 2.402 280 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 280 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 280 G C 1.358 176.374 174.900 0.193 0.000 1.162 280 G CA 0.747 45.897 45.100 0.085 0.000 0.777 280 G HN 0.492 nan 8.290 nan 0.000 0.539 281 E N -0.499 119.775 120.200 0.124 0.000 2.051 281 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 281 E C 2.062 178.846 176.600 0.306 0.000 0.991 281 E CA 1.044 57.559 56.400 0.191 0.000 0.799 281 E CB -0.318 29.488 29.700 0.177 0.000 0.748 281 E HN 0.543 nan 8.360 nan 0.000 0.449 282 Y N -0.041 120.381 120.300 0.203 0.000 2.128 282 Y HA -0.286 4.264 4.550 -0.000 0.000 0.284 282 Y C 2.080 178.235 175.900 0.425 0.000 1.154 282 Y CA 2.078 60.365 58.100 0.311 0.000 1.149 282 Y CB -0.440 38.085 38.460 0.108 0.000 0.976 282 Y HN 0.135 nan 8.280 nan 0.000 0.505 283 F N 1.049 121.176 119.950 0.295 0.000 2.186 283 F HA -0.143 4.384 4.527 -0.001 0.000 0.299 283 F C 2.410 178.344 175.800 0.223 0.000 1.090 283 F CA 1.961 60.163 58.000 0.337 0.000 1.307 283 F CB -0.688 38.633 39.000 0.535 0.000 1.019 283 F HN 0.170 nan 8.300 nan 0.000 0.489 284 Q N 0.607 120.520 119.800 0.189 0.000 2.123 284 Q HA -0.086 4.254 4.340 -0.000 0.000 0.199 284 Q C 2.091 178.124 176.000 0.054 0.000 0.966 284 Q CA 1.845 57.686 55.803 0.063 0.000 0.845 284 Q CB -0.483 28.320 28.738 0.108 0.000 0.907 284 Q HN 0.571 nan 8.270 nan 0.000 0.439 285 I N -0.418 120.200 120.570 0.080 0.000 2.226 285 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 285 I C 2.209 178.218 176.117 -0.179 0.000 1.100 285 I CA 1.515 62.775 61.300 -0.067 0.000 1.374 285 I CB -0.323 37.386 38.000 -0.484 0.000 1.057 285 I HN 0.367 nan 8.210 nan 0.000 0.413 286 H N 0.656 119.543 119.070 -0.305 0.000 2.353 286 H HA -0.247 4.308 4.556 -0.000 0.000 0.300 286 H C 1.836 176.874 175.328 -0.485 0.000 1.090 286 H CA 2.302 57.983 56.048 -0.613 0.000 1.327 286 H CB -0.176 29.024 29.762 -0.937 0.000 1.383 286 H HN 0.345 nan 8.280 nan 0.000 0.508 287 D N -0.534 119.581 120.400 -0.476 0.000 2.097 287 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 287 D C 1.589 177.730 176.300 -0.265 0.000 0.989 287 D CA 1.601 55.353 54.000 -0.413 0.000 0.827 287 D CB -0.252 40.356 40.800 -0.320 0.000 0.966 287 D HN 0.419 nan 8.370 nan 0.000 0.456 288 D N -1.074 119.244 120.400 -0.135 0.000 2.149 288 D HA -0.188 4.452 4.640 -0.000 0.000 0.198 288 D C 1.645 177.895 176.300 -0.083 0.000 0.990 288 D CA 0.790 54.773 54.000 -0.028 0.000 0.839 288 D CB -0.511 40.370 40.800 0.136 0.000 0.948 288 D HN 0.403 nan 8.370 nan 0.000 0.460 289 Y N 1.159 121.272 120.300 -0.313 0.000 2.145 289 Y HA -0.133 4.417 4.550 -0.000 0.000 0.286 289 Y C 2.058 177.815 175.900 -0.239 0.000 1.145 289 Y CA 1.367 59.281 58.100 -0.310 0.000 1.148 289 Y CB -0.384 37.537 38.460 -0.898 0.000 0.981 289 Y HN -0.079 nan 8.280 nan 0.000 0.507 290 L N 0.204 121.179 121.223 -0.414 0.000 2.131 290 L HA -0.210 4.129 4.340 -0.000 0.000 0.210 290 L C 2.060 178.746 176.870 -0.308 0.000 1.092 290 L CA 1.822 56.423 54.840 -0.398 0.000 0.759 290 L CB -0.637 41.173 42.059 -0.414 0.000 0.903 290 L HN 0.320 nan 8.230 nan 0.000 0.435 291 D N 0.036 120.282 120.400 -0.257 0.000 2.178 291 D HA -0.203 4.436 4.640 -0.000 0.000 0.201 291 D C 2.031 178.186 176.300 -0.242 0.000 0.980 291 D CA 1.119 55.006 54.000 -0.187 0.000 0.842 291 D CB 0.308 41.041 40.800 -0.112 0.000 0.948 291 D HN 0.155 nan 8.370 nan 0.000 0.472 292 I N -0.796 119.535 120.570 -0.397 0.000 2.512 292 I HA -0.037 4.133 4.170 -0.000 0.000 0.247 292 I C 1.305 176.971 176.117 -0.751 0.000 1.094 292 I CA 0.794 61.712 61.300 -0.636 0.000 1.427 292 I CB -1.111 36.258 38.000 -1.051 0.000 1.149 292 I HN 0.050 nan 8.210 nan 0.000 0.438 293 F N 1.252 120.950 119.950 -0.421 0.000 2.695 293 F HA 0.388 4.915 4.527 -0.000 0.000 0.303 293 F C 1.627 177.229 175.800 -0.330 0.000 1.091 293 F CA -0.353 57.387 58.000 -0.434 0.000 1.300 293 F CB -0.290 38.266 39.000 -0.741 0.000 1.071 293 F HN -0.058 nan 8.300 nan 0.000 0.578 294 G N -0.147 108.538 108.800 -0.191 0.000 2.562 294 G HA2 0.238 4.197 3.960 -0.000 0.000 0.275 294 G HA3 0.238 4.197 3.960 -0.000 0.000 0.275 294 G C -1.445 173.419 174.900 -0.059 0.000 1.196 294 G CA -0.255 44.783 45.100 -0.103 0.000 0.908 294 G HN 0.025 nan 8.290 nan 0.000 0.524 295 D N -1.102 119.285 120.400 -0.022 0.000 2.280 295 D HA 0.241 4.881 4.640 -0.000 0.000 0.236 295 D C 1.668 177.960 176.300 -0.013 0.000 1.082 295 D CA -0.126 53.868 54.000 -0.010 0.000 0.834 295 D CB 1.524 42.331 40.800 0.011 0.000 1.100 295 D HN 0.201 nan 8.370 nan 0.000 0.486 296 S N 1.857 117.546 115.700 -0.017 0.000 2.440 296 S HA -0.220 4.250 4.470 -0.000 0.000 0.238 296 S C 1.715 176.312 174.600 -0.005 0.000 1.010 296 S CA 1.654 59.846 58.200 -0.013 0.000 0.972 296 S CB -0.768 62.425 63.200 -0.011 0.000 0.774 296 S HN 0.611 nan 8.310 nan 0.000 0.501 297 T N -0.591 113.961 114.554 -0.002 0.000 2.985 297 T HA 0.136 4.486 4.350 -0.000 0.000 0.266 297 T C 1.666 176.370 174.700 0.007 0.000 1.076 297 T CA 0.773 62.872 62.100 -0.001 0.000 1.135 297 T CB -0.277 68.591 68.868 0.001 0.000 0.890 297 T HN 0.476 nan 8.240 nan 0.000 0.480 298 K N 1.001 121.409 120.400 0.014 0.000 2.128 298 K HA 0.035 4.354 4.320 -0.000 0.000 0.202 298 K C 2.831 179.449 176.600 0.030 0.000 1.050 298 K CA 1.460 57.764 56.287 0.027 0.000 0.966 298 K CB -0.216 32.306 32.500 0.037 0.000 0.759 298 K HN 0.553 nan 8.250 nan 0.000 0.454 299 T N -2.257 112.307 114.554 0.016 0.000 2.951 299 T HA 0.037 4.387 4.350 -0.000 0.000 0.268 299 T C 1.583 176.295 174.700 0.019 0.000 1.073 299 T CA 0.961 63.068 62.100 0.012 0.000 1.134 299 T CB -0.092 68.763 68.868 -0.021 0.000 0.884 299 T HN 0.365 nan 8.240 nan 0.000 0.479 300 G N 2.002 110.809 108.800 0.012 0.000 2.159 300 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.256 300 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.256 300 G C -0.073 174.838 174.900 0.018 0.000 0.977 300 G CA 0.514 45.620 45.100 0.010 0.000 0.652 300 G HN 1.023 nan 8.290 nan 0.000 0.531 301 K N -1.231 119.179 120.400 0.017 0.000 2.532 301 K HA 0.749 5.068 4.320 -0.000 0.000 0.265 301 K C -0.877 175.730 176.600 0.013 0.000 0.948 301 K CA -1.152 55.152 56.287 0.029 0.000 0.842 301 K CB 2.419 34.942 32.500 0.038 0.000 1.392 301 K HN 0.206 nan 8.250 nan 0.000 0.436 302 V N 1.564 121.493 119.914 0.025 0.000 2.407 302 V HA 0.344 4.464 4.120 -0.000 0.000 0.278 302 V C 0.753 176.845 176.094 -0.003 0.000 1.037 302 V CA -0.415 61.891 62.300 0.010 0.000 0.900 302 V CB 1.128 32.967 31.823 0.026 0.000 0.983 302 V HN 0.904 nan 8.190 nan 0.000 0.459 303 G N 3.178 111.958 108.800 -0.033 0.000 2.353 303 G HA2 0.362 4.322 3.960 -0.000 0.000 0.239 303 G HA3 0.362 4.322 3.960 -0.000 0.000 0.239 303 G C 0.610 175.487 174.900 -0.040 0.000 1.295 303 G CA 0.470 45.539 45.100 -0.052 0.000 0.884 303 G HN 1.159 nan 8.290 nan 0.000 0.537 304 S N -0.133 115.547 115.700 -0.033 0.000 2.874 304 S HA 0.079 4.548 4.470 -0.000 0.000 0.257 304 S C 0.626 175.205 174.600 -0.036 0.000 0.975 304 S CA 0.006 58.187 58.200 -0.032 0.000 1.326 304 S CB 0.515 63.712 63.200 -0.006 0.000 1.215 304 S HN 0.401 nan 8.310 nan 0.000 0.679 305 D N 2.680 123.067 120.400 -0.021 0.000 2.144 305 D HA 0.032 4.672 4.640 -0.000 0.000 0.199 305 D C 1.722 177.990 176.300 -0.054 0.000 0.984 305 D CA 1.197 55.209 54.000 0.020 0.000 0.834 305 D CB -0.204 40.648 40.800 0.087 0.000 0.955 305 D HN 0.489 nan 8.370 nan 0.000 0.465 306 I N 1.287 121.751 120.570 -0.177 0.000 2.179 306 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 306 I C 2.668 178.455 176.117 -0.551 0.000 1.088 306 I CA 1.099 62.063 61.300 -0.560 0.000 1.357 306 I CB -0.383 37.382 38.000 -0.392 0.000 1.051 306 I HN 0.062 nan 8.210 nan 0.000 0.409 307 Q N 0.362 120.000 119.800 -0.271 0.000 2.230 307 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 307 Q C 1.126 177.057 176.000 -0.116 0.000 0.963 307 Q CA 1.254 56.949 55.803 -0.180 0.000 0.866 307 Q CB -0.399 28.274 28.738 -0.109 0.000 0.931 307 Q HN 0.421 nan 8.270 nan 0.000 0.452 308 N N 1.246 119.900 118.700 -0.077 0.000 2.383 308 N HA -0.015 4.725 4.740 -0.000 0.000 0.192 308 N C -0.512 175.028 175.510 0.051 0.000 1.141 308 N CA 0.295 53.339 53.050 -0.010 0.000 0.851 308 N CB -0.063 38.426 38.487 0.004 0.000 0.976 308 N HN 0.300 nan 8.380 nan 0.000 0.465 309 N N 0.810 119.551 118.700 0.068 0.000 2.738 309 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 309 N C -1.178 174.616 175.510 0.473 0.000 1.047 309 N CA 0.568 53.812 53.050 0.324 0.000 0.707 309 N CB -0.607 38.042 38.487 0.270 0.000 0.937 309 N HN 0.058 nan 8.380 nan 0.000 0.545 310 K N 0.407 121.058 120.400 0.418 0.000 2.144 310 K HA 0.317 4.636 4.320 -0.000 0.000 0.270 310 K C 0.183 176.981 176.600 0.331 0.000 1.005 310 K CA -0.823 55.630 56.287 0.276 0.000 0.932 310 K CB 0.959 33.569 32.500 0.183 0.000 1.021 310 K HN 0.257 nan 8.250 nan 0.000 0.462 311 L N 3.032 124.270 121.223 0.024 0.000 2.334 311 L HA 0.134 4.474 4.340 -0.000 0.000 0.286 311 L C -0.032 176.971 176.870 0.222 0.000 1.108 311 L CA 0.330 55.170 54.840 0.000 0.000 0.875 311 L CB -0.243 41.613 42.059 -0.339 0.000 1.246 311 L HN 0.725 nan 8.230 nan 0.000 0.439 312 T N -0.128 114.547 114.554 0.203 0.000 2.949 312 T HA 0.210 4.559 4.350 -0.000 0.000 0.287 312 T C 0.553 175.202 174.700 -0.085 0.000 1.034 312 T CA -0.515 61.724 62.100 0.230 0.000 1.018 312 T CB 0.714 69.719 68.868 0.228 0.000 1.135 312 T HN 0.671 nan 8.240 nan 0.000 0.532 313 W N 1.316 122.398 121.300 -0.363 0.000 2.379 313 W HA 0.121 4.781 4.660 -0.001 0.000 0.307 313 W C -1.454 174.944 176.519 -0.201 0.000 1.200 313 W CA 1.167 58.231 57.345 -0.468 0.000 1.297 313 W CB -1.241 28.008 29.460 -0.352 0.000 1.140 313 W HN 0.613 nan 8.180 nan 0.000 0.507 314 P HA -0.224 nan 4.420 nan 0.000 0.216 314 P C 1.757 178.856 177.300 -0.335 0.000 1.150 314 P CA 1.703 64.618 63.100 -0.308 0.000 0.837 314 P CB -0.345 30.994 31.700 -0.602 0.000 0.786 315 L N -0.703 120.455 121.223 -0.107 0.000 1.994 315 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 315 L C 2.186 178.937 176.870 -0.198 0.000 1.071 315 L CA 1.868 56.699 54.840 -0.015 0.000 0.745 315 L CB -1.135 40.867 42.059 -0.094 0.000 0.892 315 L HN -0.151 nan 8.230 nan 0.000 0.431 316 I N -0.565 119.758 120.570 -0.411 0.000 2.179 316 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 316 I C 2.472 178.219 176.117 -0.617 0.000 1.088 316 I CA 1.238 62.159 61.300 -0.632 0.000 1.357 316 I CB -0.489 36.864 38.000 -1.079 0.000 1.051 316 I HN 0.221 nan 8.210 nan 0.000 0.409 317 K N 1.096 121.089 120.400 -0.678 0.000 2.063 317 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 317 K C 2.032 178.416 176.600 -0.359 0.000 1.048 317 K CA 2.066 58.010 56.287 -0.573 0.000 0.928 317 K CB -0.786 31.112 32.500 -1.003 0.000 0.713 317 K HN 0.234 nan 8.250 nan 0.000 0.442 318 T N 0.212 114.622 114.554 -0.240 0.000 2.708 318 T HA -0.090 4.259 4.350 -0.000 0.000 0.266 318 T C 1.587 176.121 174.700 -0.277 0.000 1.037 318 T CA 1.413 63.407 62.100 -0.176 0.000 1.146 318 T CB -0.470 68.460 68.868 0.103 0.000 0.865 318 T HN 0.152 nan 8.240 nan 0.000 0.435 319 F N 1.607 121.367 119.950 -0.317 0.000 2.202 319 F HA -0.059 4.467 4.527 -0.000 0.000 0.301 319 F C 2.507 178.137 175.800 -0.283 0.000 1.082 319 F CA 1.198 59.020 58.000 -0.297 0.000 1.313 319 F CB -0.135 38.695 39.000 -0.284 0.000 1.024 319 F HN 0.200 nan 8.300 nan 0.000 0.495 320 E N -0.556 119.551 120.200 -0.154 0.000 2.150 320 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 320 E C 1.615 178.114 176.600 -0.169 0.000 0.985 320 E CA 0.977 57.287 56.400 -0.151 0.000 0.814 320 E CB 0.037 29.647 29.700 -0.150 0.000 0.752 320 E HN 0.262 nan 8.360 nan 0.000 0.466 321 L N 0.231 121.310 121.223 -0.241 0.000 2.609 321 L HA 0.129 4.468 4.340 -0.000 0.000 0.230 321 L C 1.021 177.732 176.870 -0.265 0.000 1.087 321 L CA 0.196 54.925 54.840 -0.185 0.000 0.874 321 L CB -0.249 41.734 42.059 -0.126 0.000 1.114 321 L HN 0.282 nan 8.230 nan 0.000 0.488 322 C N -0.420 118.524 119.300 -0.594 0.000 2.500 322 C HA 0.646 5.106 4.460 -0.000 0.000 0.367 322 C C 1.376 176.183 174.990 -0.305 0.000 1.283 322 C CA -1.052 57.529 59.018 -0.729 0.000 2.456 322 C CB 0.520 27.626 27.740 -1.057 0.000 2.457 322 C HN 0.546 nan 8.230 nan 0.000 0.632 323 S N 0.539 116.168 115.700 -0.117 0.000 2.603 323 S HA 0.216 4.686 4.470 -0.000 0.000 0.268 323 S C 0.928 175.436 174.600 -0.153 0.000 1.317 323 S CA 0.586 58.742 58.200 -0.073 0.000 1.012 323 S CB 0.938 64.150 63.200 0.020 0.000 0.926 323 S HN 1.046 nan 8.310 nan 0.000 0.539 324 E N 1.402 121.528 120.200 -0.125 0.000 2.085 324 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 324 E C -1.167 175.364 176.600 -0.115 0.000 0.994 324 E CA 1.716 58.033 56.400 -0.137 0.000 0.801 324 E CB -2.010 27.635 29.700 -0.090 0.000 0.743 324 E HN 0.572 nan 8.360 nan 0.000 0.453 325 P HA -0.056 nan 4.420 nan 0.000 0.220 325 P C 0.533 177.799 177.300 -0.058 0.000 1.148 325 P CA 1.534 64.604 63.100 -0.050 0.000 0.803 325 P CB -0.023 31.663 31.700 -0.024 0.000 0.782 326 D N -0.751 119.606 120.400 -0.071 0.000 2.224 326 D HA -0.061 4.578 4.640 -0.000 0.000 0.205 326 D C 1.764 177.962 176.300 -0.171 0.000 0.965 326 D CA 0.868 54.825 54.000 -0.071 0.000 0.852 326 D CB -0.233 40.568 40.800 0.003 0.000 0.947 326 D HN 0.187 nan 8.370 nan 0.000 0.494 327 K N 0.279 120.501 120.400 -0.297 0.000 2.097 327 K HA -0.057 4.263 4.320 -0.000 0.000 0.205 327 K C 2.167 178.691 176.600 -0.126 0.000 1.050 327 K CA 0.646 56.677 56.287 -0.427 0.000 0.938 327 K CB 0.013 32.152 32.500 -0.603 0.000 0.718 327 K HN 0.069 nan 8.250 nan 0.000 0.442 328 I N 1.352 121.869 120.570 -0.087 0.000 2.252 328 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 328 I C 2.258 178.364 176.117 -0.017 0.000 1.102 328 I CA 1.228 62.507 61.300 -0.034 0.000 1.385 328 I CB -0.638 37.341 38.000 -0.035 0.000 1.064 328 I HN 0.257 nan 8.210 nan 0.000 0.414 329 K N 0.244 120.630 120.400 -0.024 0.000 2.057 329 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 329 K C 2.123 178.729 176.600 0.010 0.000 1.049 329 K CA 1.679 57.961 56.287 -0.008 0.000 0.931 329 K CB -0.318 32.178 32.500 -0.007 0.000 0.714 329 K HN 0.428 nan 8.250 nan 0.000 0.440 330 I N 0.352 120.934 120.570 0.021 0.000 2.142 330 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 330 I C 2.192 178.353 176.117 0.073 0.000 1.078 330 I CA 0.954 62.297 61.300 0.072 0.000 1.343 330 I CB -0.286 37.789 38.000 0.125 0.000 1.046 330 I HN -0.076 nan 8.210 nan 0.000 0.405 331 V N 1.317 121.263 119.914 0.052 0.000 2.324 331 V HA -0.362 3.758 4.120 -0.000 0.000 0.250 331 V C 2.984 179.081 176.094 0.005 0.000 1.060 331 V CA 2.675 64.978 62.300 0.005 0.000 1.042 331 V CB -1.333 30.494 31.823 0.006 0.000 0.650 331 V HN 0.579 nan 8.190 nan 0.000 0.450 332 K N -0.194 120.211 120.400 0.009 0.000 2.148 332 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 332 K C 1.678 178.282 176.600 0.007 0.000 1.050 332 K CA 1.729 58.017 56.287 0.002 0.000 0.942 332 K CB -0.559 31.939 32.500 -0.003 0.000 0.724 332 K HN 0.663 nan 8.250 nan 0.000 0.446 333 N N -1.831 116.883 118.700 0.023 0.000 2.294 333 N HA 0.082 4.822 4.740 -0.000 0.000 0.186 333 N C -0.471 175.053 175.510 0.023 0.000 1.107 333 N CA -0.239 52.817 53.050 0.010 0.000 0.884 333 N CB 0.437 38.921 38.487 -0.005 0.000 1.030 333 N HN 0.480 nan 8.380 nan 0.000 0.482 334 Y N 1.279 121.542 120.300 -0.063 0.000 2.346 334 Y HA 0.329 4.879 4.550 -0.000 0.000 0.330 334 Y C 1.374 177.242 175.900 -0.052 0.000 1.178 334 Y CA 0.872 58.936 58.100 -0.060 0.000 1.331 334 Y CB 0.827 39.247 38.460 -0.067 0.000 1.253 334 Y HN 0.308 nan 8.280 nan 0.000 0.529 335 G N 3.425 112.073 108.800 -0.253 0.000 2.160 335 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.244 335 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.244 335 G C -0.416 174.436 174.900 -0.080 0.000 1.022 335 G CA -0.031 45.008 45.100 -0.101 0.000 0.741 335 G HN 0.532 nan 8.290 nan 0.000 0.508 336 K N -0.102 120.227 120.400 -0.117 0.000 2.463 336 K HA 0.332 4.652 4.320 -0.000 0.000 0.255 336 K C -0.327 176.222 176.600 -0.085 0.000 0.942 336 K CA -0.985 55.256 56.287 -0.077 0.000 0.814 336 K CB 1.059 33.525 32.500 -0.058 0.000 1.122 336 K HN 0.091 nan 8.250 nan 0.000 0.425 337 N N 3.698 122.362 118.700 -0.061 0.000 2.739 337 N HA -0.008 4.731 4.740 -0.000 0.000 0.266 337 N C -1.295 174.188 175.510 -0.045 0.000 1.168 337 N CA 0.143 53.161 53.050 -0.053 0.000 1.055 337 N CB -0.028 38.437 38.487 -0.036 0.000 1.393 337 N HN 0.579 nan 8.380 nan 0.000 0.514 338 N N 3.559 122.228 118.700 -0.053 0.000 2.537 338 N HA 0.018 4.757 4.740 -0.000 0.000 0.281 338 N C 0.255 175.735 175.510 -0.050 0.000 1.097 338 N CA -0.449 52.575 53.050 -0.044 0.000 0.964 338 N CB 0.949 39.413 38.487 -0.039 0.000 1.588 338 N HN 0.208 nan 8.380 nan 0.000 0.511 339 L N 4.923 126.121 121.223 -0.042 0.000 1.990 339 L HA -0.113 4.227 4.340 -0.000 0.000 0.213 339 L C 2.395 179.238 176.870 -0.044 0.000 1.072 339 L CA 2.878 57.693 54.840 -0.042 0.000 0.755 339 L CB -0.524 41.516 42.059 -0.031 0.000 0.889 339 L HN 0.787 nan 8.230 nan 0.000 0.432 340 A N -1.578 121.220 122.820 -0.037 0.000 1.908 340 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 340 A C 2.381 179.939 177.584 -0.042 0.000 1.181 340 A CA 1.955 53.971 52.037 -0.034 0.000 0.627 340 A CB -1.515 17.469 19.000 -0.026 0.000 0.818 340 A HN 0.669 nan 8.150 nan 0.000 0.445 341 C N -1.400 117.872 119.300 -0.048 0.000 2.432 341 C HA -0.053 4.406 4.460 -0.000 0.000 0.277 341 C C 2.760 177.700 174.990 -0.083 0.000 1.249 341 C CA 1.079 60.063 59.018 -0.057 0.000 1.725 341 C CB -1.202 26.504 27.740 -0.057 0.000 2.028 341 C HN 0.469 nan 8.230 nan 0.000 0.477 342 V N 0.838 120.693 119.914 -0.098 0.000 2.427 342 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 342 V C 2.426 178.450 176.094 -0.117 0.000 1.051 342 V CA 1.734 63.957 62.300 -0.128 0.000 1.048 342 V CB -0.623 31.127 31.823 -0.121 0.000 0.666 342 V HN 0.552 nan 8.190 nan 0.000 0.456 343 K N -0.232 120.119 120.400 -0.082 0.000 2.097 343 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 343 K C 2.077 178.637 176.600 -0.066 0.000 1.049 343 K CA 1.303 57.551 56.287 -0.065 0.000 0.933 343 K CB -0.328 32.146 32.500 -0.043 0.000 0.717 343 K HN 0.343 nan 8.250 nan 0.000 0.442 344 V N 1.874 121.749 119.914 -0.065 0.000 2.261 344 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 344 V C 2.216 178.253 176.094 -0.095 0.000 1.047 344 V CA 1.492 63.759 62.300 -0.056 0.000 1.015 344 V CB -0.387 31.413 31.823 -0.038 0.000 0.642 344 V HN 0.261 nan 8.190 nan 0.000 0.446 345 I N 0.275 120.750 120.570 -0.158 0.000 2.226 345 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 345 I C 2.300 178.099 176.117 -0.529 0.000 1.100 345 I CA 1.624 62.725 61.300 -0.330 0.000 1.374 345 I CB -1.480 36.351 38.000 -0.282 0.000 1.057 345 I HN 0.335 nan 8.210 nan 0.000 0.413 346 D N 0.425 120.647 120.400 -0.296 0.000 2.123 346 D HA -0.154 4.485 4.640 -0.000 0.000 0.196 346 D C 2.413 178.709 176.300 -0.007 0.000 0.992 346 D CA 1.430 55.347 54.000 -0.138 0.000 0.833 346 D CB -0.155 40.598 40.800 -0.077 0.000 0.954 346 D HN 0.145 nan 8.370 nan 0.000 0.455 347 S N -0.456 115.233 115.700 -0.018 0.000 2.368 347 S HA -0.044 4.425 4.470 -0.000 0.000 0.225 347 S C 2.039 176.687 174.600 0.080 0.000 1.030 347 S CA 0.541 58.761 58.200 0.033 0.000 0.999 347 S CB -0.180 63.025 63.200 0.008 0.000 0.844 347 S HN 0.182 nan 8.310 nan 0.000 0.459 348 L N -0.062 121.198 121.223 0.061 0.000 2.201 348 L HA -0.056 4.284 4.340 -0.000 0.000 0.212 348 L C 2.057 179.168 176.870 0.403 0.000 1.105 348 L CA 0.887 55.850 54.840 0.206 0.000 0.775 348 L CB -0.485 41.654 42.059 0.133 0.000 0.913 348 L HN 0.361 nan 8.230 nan 0.000 0.440 349 Y N 0.126 120.566 120.300 0.235 0.000 2.373 349 Y HA -0.119 4.430 4.550 -0.000 0.000 0.293 349 Y C 2.607 178.709 175.900 0.336 0.000 1.129 349 Y CA 0.370 58.651 58.100 0.302 0.000 1.226 349 Y CB -0.343 38.276 38.460 0.264 0.000 1.000 349 Y HN 0.182 nan 8.280 nan 0.000 0.549 350 E N -0.150 120.286 120.200 0.393 0.000 2.076 350 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 350 E C 2.128 178.825 176.600 0.162 0.000 0.979 350 E CA 0.584 57.144 56.400 0.268 0.000 0.807 350 E CB -0.442 29.373 29.700 0.192 0.000 0.761 350 E HN 0.532 nan 8.360 nan 0.000 0.454 351 Q N -0.173 119.688 119.800 0.102 0.000 2.096 351 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 351 Q C 0.806 176.679 176.000 -0.211 0.000 0.982 351 Q CA 1.315 57.057 55.803 -0.103 0.000 0.850 351 Q CB -0.018 28.594 28.738 -0.211 0.000 0.901 351 Q HN 0.314 nan 8.270 nan 0.000 0.422 352 Y N 0.653 121.057 120.300 0.174 0.000 2.532 352 Y HA 0.151 4.701 4.550 -0.001 0.000 0.283 352 Y C -0.125 175.948 175.900 0.288 0.000 1.181 352 Y CA -0.162 58.056 58.100 0.197 0.000 1.256 352 Y CB 0.583 39.137 38.460 0.157 0.000 1.112 352 Y HN -0.037 nan 8.280 nan 0.000 0.521 353 K N -0.427 120.148 120.400 0.291 0.000 3.156 353 K HA -0.241 4.078 4.320 -0.000 0.000 0.266 353 K C 0.778 177.545 176.600 0.279 0.000 0.966 353 K CA 0.288 56.688 56.287 0.189 0.000 0.719 353 K CB -1.804 30.717 32.500 0.035 0.000 1.333 353 K HN 0.427 nan 8.250 nan 0.000 0.468 354 I N 0.168 120.978 120.570 0.401 0.000 2.248 354 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 354 I C 2.586 178.909 176.117 0.343 0.000 1.107 354 I CA 1.328 62.898 61.300 0.449 0.000 1.373 354 I CB -0.535 37.697 38.000 0.386 0.000 1.055 354 I HN 0.362 nan 8.210 nan 0.000 0.418 355 R N 0.474 120.964 120.500 -0.016 0.000 2.081 355 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 355 R C 2.274 178.613 176.300 0.065 0.000 1.131 355 R CA 1.110 57.132 56.100 -0.130 0.000 0.960 355 R CB 0.033 30.097 30.300 -0.394 0.000 0.856 355 R HN 0.268 nan 8.270 nan 0.000 0.436 356 K N -0.304 120.095 120.400 -0.002 0.000 2.025 356 K HA -0.103 4.216 4.320 -0.000 0.000 0.207 356 K C 1.941 178.513 176.600 -0.047 0.000 1.049 356 K CA 1.294 57.534 56.287 -0.077 0.000 0.933 356 K CB -0.492 31.897 32.500 -0.185 0.000 0.714 356 K HN 0.414 nan 8.250 nan 0.000 0.438 357 H N -0.786 118.415 119.070 0.217 0.000 2.387 357 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 357 H C 2.060 177.632 175.328 0.406 0.000 1.090 357 H CA 1.347 57.589 56.048 0.323 0.000 1.332 357 H CB -0.355 29.633 29.762 0.377 0.000 1.386 357 H HN 0.241 nan 8.280 nan 0.000 0.516 358 Y N 1.892 122.422 120.300 0.383 0.000 2.145 358 Y HA -0.229 4.321 4.550 -0.000 0.000 0.286 358 Y C 2.743 178.606 175.900 -0.062 0.000 1.145 358 Y CA 2.417 60.523 58.100 0.011 0.000 1.148 358 Y CB -0.583 37.818 38.460 -0.099 0.000 0.981 358 Y HN 0.287 nan 8.280 nan 0.000 0.507 359 E N -0.050 119.970 120.200 -0.299 0.000 2.097 359 E HA -0.259 4.090 4.350 -0.000 0.000 0.196 359 E C 2.381 178.822 176.600 -0.264 0.000 1.000 359 E CA 1.803 58.014 56.400 -0.315 0.000 0.804 359 E CB -1.441 28.192 29.700 -0.112 0.000 0.740 359 E HN 0.555 nan 8.360 nan 0.000 0.454 360 S N -1.403 114.220 115.700 -0.129 0.000 2.387 360 S HA -0.107 4.363 4.470 -0.000 0.000 0.226 360 S C 2.026 176.569 174.600 -0.095 0.000 1.026 360 S CA 1.435 59.597 58.200 -0.064 0.000 0.972 360 S CB -0.517 62.707 63.200 0.040 0.000 0.814 360 S HN 0.704 nan 8.310 nan 0.000 0.477 361 Y N 2.267 122.441 120.300 -0.210 0.000 2.133 361 Y HA -0.027 4.523 4.550 -0.000 0.000 0.287 361 Y C 2.535 178.262 175.900 -0.290 0.000 1.134 361 Y CA 2.265 60.221 58.100 -0.240 0.000 1.133 361 Y CB -0.718 37.508 38.460 -0.390 0.000 0.987 361 Y HN 0.261 nan 8.280 nan 0.000 0.502 362 E N 0.988 120.810 120.200 -0.630 0.000 2.070 362 E HA -0.290 4.060 4.350 -0.000 0.000 0.197 362 E C 2.421 178.880 176.600 -0.236 0.000 1.004 362 E CA 2.083 58.227 56.400 -0.427 0.000 0.805 362 E CB -0.371 29.010 29.700 -0.532 0.000 0.744 362 E HN 0.346 nan 8.360 nan 0.000 0.451 363 K N 0.105 120.357 120.400 -0.246 0.000 2.032 363 K HA -0.074 4.245 4.320 -0.000 0.000 0.209 363 K C 2.187 178.666 176.600 -0.201 0.000 1.048 363 K CA 1.560 57.742 56.287 -0.176 0.000 0.927 363 K CB -0.913 31.503 32.500 -0.140 0.000 0.712 363 K HN 0.354 nan 8.250 nan 0.000 0.441 364 A N -0.170 122.504 122.820 -0.244 0.000 1.929 364 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 364 A C 2.285 179.687 177.584 -0.304 0.000 1.176 364 A CA 1.836 53.734 52.037 -0.231 0.000 0.628 364 A CB -0.656 18.233 19.000 -0.185 0.000 0.816 364 A HN 0.627 nan 8.150 nan 0.000 0.444 365 Q N 0.157 119.671 119.800 -0.476 0.000 2.123 365 Q HA -0.076 4.263 4.340 -0.000 0.000 0.199 365 Q C 1.995 177.745 176.000 -0.418 0.000 0.966 365 Q CA 2.003 57.528 55.803 -0.464 0.000 0.845 365 Q CB -0.272 28.063 28.738 -0.672 0.000 0.907 365 Q HN 0.635 nan 8.270 nan 0.000 0.439 366 K N -0.674 119.482 120.400 -0.407 0.000 2.103 366 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 366 K C 1.822 178.223 176.600 -0.332 0.000 1.048 366 K CA 1.297 57.302 56.287 -0.470 0.000 0.930 366 K CB -0.271 32.049 32.500 -0.301 0.000 0.716 366 K HN 0.267 nan 8.250 nan 0.000 0.444 367 A N 1.354 124.025 122.820 -0.248 0.000 1.898 367 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 367 A C 2.043 179.516 177.584 -0.186 0.000 1.181 367 A CA 1.621 53.544 52.037 -0.189 0.000 0.620 367 A CB -0.449 18.460 19.000 -0.150 0.000 0.819 367 A HN 0.325 nan 8.150 nan 0.000 0.442 368 K N -0.388 119.892 120.400 -0.199 0.000 2.057 368 K HA -0.099 4.220 4.320 -0.000 0.000 0.207 368 K C 1.835 178.320 176.600 -0.192 0.000 1.049 368 K CA 1.532 57.716 56.287 -0.172 0.000 0.931 368 K CB -0.304 32.100 32.500 -0.159 0.000 0.714 368 K HN 0.529 nan 8.250 nan 0.000 0.440 369 I N 1.052 121.464 120.570 -0.262 0.000 2.142 369 I HA -0.312 3.858 4.170 -0.000 0.000 0.240 369 I C 2.262 178.235 176.117 -0.239 0.000 1.078 369 I CA 1.106 62.234 61.300 -0.287 0.000 1.343 369 I CB -0.208 37.533 38.000 -0.432 0.000 1.046 369 I HN 0.156 nan 8.210 nan 0.000 0.405 370 L N -0.171 120.911 121.223 -0.235 0.000 2.079 370 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 370 L C 2.751 179.531 176.870 -0.150 0.000 1.081 370 L CA 1.520 56.248 54.840 -0.186 0.000 0.752 370 L CB -0.501 41.455 42.059 -0.172 0.000 0.896 370 L HN 0.278 nan 8.230 nan 0.000 0.433 371 S N -0.554 115.061 115.700 -0.141 0.000 2.368 371 S HA -0.165 4.304 4.470 -0.000 0.000 0.225 371 S C 2.083 176.612 174.600 -0.118 0.000 1.030 371 S CA 1.217 59.349 58.200 -0.114 0.000 0.999 371 S CB -0.048 63.091 63.200 -0.101 0.000 0.844 371 S HN 0.450 nan 8.310 nan 0.000 0.459 372 A N 1.212 123.953 122.820 -0.131 0.000 1.930 372 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 372 A C 2.098 179.596 177.584 -0.144 0.000 1.175 372 A CA 1.226 53.187 52.037 -0.128 0.000 0.627 372 A CB -0.695 18.227 19.000 -0.129 0.000 0.815 372 A HN 0.612 nan 8.150 nan 0.000 0.443 373 I N 0.305 120.784 120.570 -0.152 0.000 2.226 373 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 373 I C 1.851 177.877 176.117 -0.152 0.000 1.100 373 I CA 1.146 62.357 61.300 -0.149 0.000 1.374 373 I CB -0.420 37.490 38.000 -0.150 0.000 1.057 373 I HN 0.298 nan 8.210 nan 0.000 0.413 374 N N 0.864 119.477 118.700 -0.144 0.000 2.364 374 N HA -0.166 4.574 4.740 -0.000 0.000 0.183 374 N C 1.355 176.726 175.510 -0.232 0.000 1.022 374 N CA 1.067 54.034 53.050 -0.139 0.000 0.883 374 N CB -0.184 38.246 38.487 -0.096 0.000 0.965 374 N HN 0.504 nan 8.380 nan 0.000 0.438 375 E N 0.020 120.053 120.200 -0.277 0.000 2.489 375 E HA 0.113 4.463 4.350 -0.000 0.000 0.193 375 E C 1.608 177.828 176.600 -0.634 0.000 1.057 375 E CA -0.162 55.976 56.400 -0.436 0.000 0.866 375 E CB 0.176 29.756 29.700 -0.200 0.000 0.916 375 E HN 0.283 nan 8.360 nan 0.000 0.500 376 L N 0.326 121.292 121.223 -0.427 0.000 2.093 376 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 376 L C 0.129 176.888 176.870 -0.185 0.000 1.085 376 L CA 0.636 55.324 54.840 -0.253 0.000 0.755 376 L CB -0.326 41.654 42.059 -0.133 0.000 0.904 376 L HN 0.376 nan 8.230 nan 0.000 0.435 377 H N -0.493 118.586 119.070 0.015 0.000 2.819 377 H HA -0.196 4.360 4.556 -0.000 0.000 0.323 377 H C -0.303 175.053 175.328 0.047 0.000 1.243 377 H CA 0.743 56.799 56.048 0.013 0.000 1.163 377 H CB -2.487 27.275 29.762 -0.001 0.000 1.493 377 H HN 0.450 nan 8.280 nan 0.000 0.434 378 H N 0.481 119.561 119.070 0.017 0.000 3.221 378 H HA 0.131 4.687 4.556 -0.000 0.000 0.324 378 H C 0.810 176.129 175.328 -0.016 0.000 1.212 378 H CA -0.217 55.828 56.048 -0.006 0.000 1.624 378 H CB 0.596 30.337 29.762 -0.035 0.000 1.899 378 H HN 0.423 nan 8.280 nan 0.000 0.538 379 E N 2.439 122.631 120.200 -0.013 0.000 2.118 379 E HA -0.136 4.213 4.350 -0.000 0.000 0.195 379 E C 1.860 178.531 176.600 0.117 0.000 0.992 379 E CA 1.288 57.706 56.400 0.031 0.000 0.804 379 E CB 0.251 29.941 29.700 -0.016 0.000 0.741 379 E HN 0.795 nan 8.360 nan 0.000 0.458 380 G N 1.539 110.481 108.800 0.235 0.000 2.433 380 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 380 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 380 G C 1.617 176.640 174.900 0.204 0.000 1.186 380 G CA 0.721 46.027 45.100 0.344 0.000 0.779 380 G HN 0.118 nan 8.290 nan 0.000 0.543 381 I N 0.547 121.237 120.570 0.200 0.000 2.226 381 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 381 I C 2.779 178.859 176.117 -0.061 0.000 1.100 381 I CA 1.250 62.508 61.300 -0.070 0.000 1.374 381 I CB -0.298 37.520 38.000 -0.304 0.000 1.057 381 I HN 0.259 nan 8.210 nan 0.000 0.413 382 E N 0.004 120.197 120.200 -0.011 0.000 2.085 382 E HA -0.293 4.057 4.350 -0.000 0.000 0.194 382 E C 2.069 178.619 176.600 -0.083 0.000 0.994 382 E CA 1.693 58.062 56.400 -0.052 0.000 0.801 382 E CB -0.262 29.421 29.700 -0.029 0.000 0.743 382 E HN 0.523 nan 8.360 nan 0.000 0.453 383 Y N 1.196 121.433 120.300 -0.104 0.000 2.114 383 Y HA -0.240 4.309 4.550 -0.000 0.000 0.284 383 Y C 2.124 177.909 175.900 -0.192 0.000 1.143 383 Y CA 1.235 59.231 58.100 -0.172 0.000 1.135 383 Y CB -0.460 37.839 38.460 -0.268 0.000 0.980 383 Y HN -0.196 nan 8.280 nan 0.000 0.499 384 V N 0.947 120.709 119.914 -0.253 0.000 2.287 384 V HA -0.350 3.770 4.120 -0.000 0.000 0.248 384 V C 2.559 178.610 176.094 -0.070 0.000 1.053 384 V CA 2.220 64.422 62.300 -0.162 0.000 1.027 384 V CB -0.903 30.826 31.823 -0.156 0.000 0.646 384 V HN 0.484 nan 8.190 nan 0.000 0.447 385 L N -0.741 120.422 121.223 -0.100 0.000 2.093 385 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 385 L C 2.596 179.386 176.870 -0.133 0.000 1.085 385 L CA 1.645 56.417 54.840 -0.114 0.000 0.755 385 L CB -0.621 41.365 42.059 -0.122 0.000 0.904 385 L HN 0.306 nan 8.230 nan 0.000 0.435 386 K N -0.792 119.540 120.400 -0.112 0.000 2.057 386 K HA -0.221 4.099 4.320 -0.000 0.000 0.206 386 K C 2.150 178.700 176.600 -0.083 0.000 1.050 386 K CA 1.508 57.728 56.287 -0.111 0.000 0.935 386 K CB -0.276 32.172 32.500 -0.087 0.000 0.715 386 K HN 0.139 nan 8.250 nan 0.000 0.439 387 Y N 1.760 121.961 120.300 -0.166 0.000 2.163 387 Y HA -0.215 4.334 4.550 -0.000 0.000 0.288 387 Y C 2.008 177.821 175.900 -0.145 0.000 1.136 387 Y CA 1.110 59.119 58.100 -0.152 0.000 1.147 387 Y CB -0.536 37.824 38.460 -0.168 0.000 0.987 387 Y HN -0.028 nan 8.280 nan 0.000 0.509 388 L N 0.066 121.071 121.223 -0.364 0.000 2.013 388 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 388 L C 2.249 178.908 176.870 -0.352 0.000 1.073 388 L CA 1.945 56.550 54.840 -0.392 0.000 0.753 388 L CB -1.191 40.750 42.059 -0.197 0.000 0.890 388 L HN 0.377 nan 8.230 nan 0.000 0.432 389 L N -0.389 120.661 121.223 -0.289 0.000 2.187 389 L HA -0.184 4.155 4.340 -0.000 0.000 0.213 389 L C 2.384 179.058 176.870 -0.326 0.000 1.100 389 L CA 1.683 56.337 54.840 -0.310 0.000 0.765 389 L CB -0.781 41.091 42.059 -0.312 0.000 0.904 389 L HN 0.394 nan 8.230 nan 0.000 0.437 390 E N -0.505 119.512 120.200 -0.304 0.000 2.122 390 E HA -0.051 4.298 4.350 -0.000 0.000 0.190 390 E C 2.019 178.453 176.600 -0.276 0.000 0.977 390 E CA 1.483 57.732 56.400 -0.251 0.000 0.820 390 E CB -0.137 29.467 29.700 -0.160 0.000 0.770 390 E HN 0.729 nan 8.360 nan 0.000 0.462 391 I N -1.695 118.648 120.570 -0.378 0.000 3.860 391 I HA 0.048 4.218 4.170 -0.000 0.000 0.319 391 I C 1.950 177.933 176.117 -0.223 0.000 1.279 391 I CA 0.068 61.186 61.300 -0.303 0.000 1.220 391 I CB -0.237 37.502 38.000 -0.435 0.000 1.027 391 I HN -0.137 nan 8.210 nan 0.000 0.428 392 L N 0.857 121.909 121.223 -0.285 0.000 2.034 392 L HA -0.235 4.105 4.340 -0.000 0.000 0.217 392 L C 2.026 178.995 176.870 0.165 0.000 1.077 392 L CA 2.212 56.942 54.840 -0.184 0.000 0.769 392 L CB -0.742 41.131 42.059 -0.309 0.000 0.890 392 L HN 0.281 nan 8.230 nan 0.000 0.435 393 F N -1.583 118.389 119.950 0.036 0.000 2.664 393 F HA 0.081 4.608 4.527 -0.000 0.000 0.296 393 F C 2.375 178.226 175.800 0.085 0.000 1.125 393 F CA 0.983 59.008 58.000 0.041 0.000 1.444 393 F CB -1.622 37.261 39.000 -0.194 0.000 1.114 393 F HN 0.284 nan 8.300 nan 0.000 0.576 394 T N -3.366 111.301 114.554 0.189 0.000 3.038 394 T HA 0.553 4.902 4.350 -0.000 0.000 0.244 394 T C 1.298 176.047 174.700 0.083 0.000 1.016 394 T CA 0.490 62.665 62.100 0.124 0.000 1.098 394 T CB 0.064 68.978 68.868 0.077 0.000 0.954 394 T HN 0.384 nan 8.240 nan 0.000 0.469 395 G N 1.234 110.054 108.800 0.034 0.000 2.627 395 G HA2 0.356 4.316 3.960 -0.000 0.000 0.214 395 G HA3 0.356 4.316 3.960 -0.000 0.000 0.214 395 G C 0.199 175.090 174.900 -0.016 0.000 1.331 395 G CA -0.176 44.924 45.100 0.001 0.000 0.891 395 G HN 1.813 nan 8.290 nan 0.000 0.539 396 V N 0.000 119.917 119.914 0.005 0.000 2.409 396 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 396 V CA 0.000 62.326 62.300 0.043 0.000 1.235 396 V CB 0.000 31.857 31.823 0.057 0.000 1.184 396 V HN 0.000 nan 8.190 nan 0.000 0.556