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 2gam_1_A DATA FIRST_RESID 56 DATA SEQUENCE NVNCTKILQG DPEEIQKVKL EILTVXXXXR PRWTPHDYIN MTRDCASFIR DATA SEQUENCE TRKYIVEPLT KEEVGFPIAY SIVVHHKIEM LDRLLRAIYM PQNFYCIHVD DATA SEQUENCE RKAEESFLAA VQGIASCFDN VFVASQLESV VYASWTRVKA DLNCMKDLYR DATA SEQUENCE MNANWKYLIN LCGMDFPIKT NLEIVRKLKC STGENNLETE KMPPNKEERW DATA SEQUENCE KKRYAVVDGK LTNTGIVKAP PPLKTPLFSG SAYFVVTREY VGYVLENENI DATA SEQUENCE QKLMEWAQDT YSPDEFLWAT IQRIPEVPGS FPSSNKYDLS DMNAIARFVK DATA SEQUENCE WQYFEGDVSN GAPYPPCSGV HVRSVCVFGA GDLSWMLRQH HLFANKFDMD DATA SEQUENCE VDPFAIQCLD EHLRRKALE 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 56 N HA 0.000 nan 4.740 nan 0.000 0.220 56 N C 0.000 175.529 175.510 0.031 0.000 1.280 56 N CA 0.000 53.078 53.050 0.046 0.000 0.885 56 N CB 0.000 38.529 38.487 0.069 0.000 1.341 57 V N 0.408 120.340 119.914 0.032 0.000 2.950 57 V HA 0.432 4.552 4.120 0.000 0.000 0.295 57 V C -1.596 174.496 176.094 -0.002 0.000 1.297 57 V CA -0.794 61.494 62.300 -0.020 0.000 0.962 57 V CB 2.074 33.841 31.823 -0.094 0.000 1.081 57 V HN 0.324 nan 8.190 nan 0.000 0.432 58 N N 4.619 123.304 118.700 -0.024 0.000 2.415 58 N HA 0.127 4.867 4.740 0.000 0.000 0.250 58 N C 1.029 176.529 175.510 -0.017 0.000 1.127 58 N CA 0.289 53.329 53.050 -0.016 0.000 0.945 58 N CB 1.018 39.491 38.487 -0.024 0.000 1.196 58 N HN 0.839 nan 8.380 nan 0.000 0.499 59 C N 1.854 121.154 119.300 -0.000 0.000 2.413 59 C HA -0.134 4.326 4.460 0.000 0.000 0.276 59 C C 2.523 177.494 174.990 -0.032 0.000 1.236 59 C CA 0.954 59.971 59.018 -0.002 0.000 1.735 59 C CB -0.879 26.870 27.740 0.015 0.000 2.031 59 C HN 0.730 nan 8.230 nan 0.000 0.474 60 T N 0.744 115.277 114.554 -0.035 0.000 2.649 60 T HA -0.273 4.077 4.350 0.000 0.000 0.268 60 T C 1.804 176.470 174.700 -0.055 0.000 1.036 60 T CA 1.709 63.777 62.100 -0.054 0.000 1.157 60 T CB -0.293 68.552 68.868 -0.038 0.000 0.861 60 T HN 0.614 nan 8.240 nan 0.000 0.445 61 K N 0.290 120.666 120.400 -0.041 0.000 2.032 61 K HA -0.029 4.291 4.320 0.000 0.000 0.209 61 K C 2.298 178.875 176.600 -0.039 0.000 1.048 61 K CA 1.315 57.579 56.287 -0.038 0.000 0.927 61 K CB -0.399 32.079 32.500 -0.036 0.000 0.712 61 K HN 0.363 nan 8.250 nan 0.000 0.441 62 I N 0.814 121.360 120.570 -0.040 0.000 2.286 62 I HA -0.273 3.897 4.170 0.000 0.000 0.248 62 I C 1.798 177.894 176.117 -0.035 0.000 1.115 62 I CA 0.886 62.167 61.300 -0.032 0.000 1.392 62 I CB -0.112 37.875 38.000 -0.022 0.000 1.065 62 I HN 0.074 nan 8.210 nan 0.000 0.418 63 L N -0.117 121.066 121.223 -0.067 0.000 2.376 63 L HA -0.116 4.224 4.340 0.000 0.000 0.219 63 L C 2.131 178.950 176.870 -0.084 0.000 1.133 63 L CA 1.522 56.298 54.840 -0.106 0.000 0.816 63 L CB -0.606 41.320 42.059 -0.222 0.000 0.933 63 L HN 0.272 nan 8.230 nan 0.000 0.449 64 Q N -0.839 118.925 119.800 -0.060 0.000 2.319 64 Q HA 0.259 4.599 4.340 0.000 0.000 0.202 64 Q C 1.148 177.139 176.000 -0.015 0.000 0.896 64 Q CA 0.507 56.285 55.803 -0.041 0.000 0.942 64 Q CB 0.413 29.127 28.738 -0.039 0.000 1.083 64 Q HN 0.462 nan 8.270 nan 0.000 0.510 65 G N 2.526 111.322 108.800 -0.008 0.000 2.160 65 G HA2 -0.244 3.716 3.960 0.000 0.000 0.244 65 G HA3 -0.244 3.716 3.960 0.000 0.000 0.244 65 G C -0.421 174.483 174.900 0.006 0.000 1.022 65 G CA 0.215 45.323 45.100 0.013 0.000 0.741 65 G HN 0.377 nan 8.290 nan 0.000 0.508 66 D N 0.190 120.585 120.400 -0.008 0.000 2.382 66 D HA 0.330 4.970 4.640 0.000 0.000 0.259 66 D C -0.077 176.215 176.300 -0.013 0.000 1.224 66 D CA -1.794 52.199 54.000 -0.012 0.000 0.894 66 D CB 0.952 41.740 40.800 -0.021 0.000 1.127 66 D HN 0.180 nan 8.370 nan 0.000 0.487 67 P HA -0.154 nan 4.420 nan 0.000 0.215 67 P C 0.860 178.147 177.300 -0.020 0.000 1.157 67 P CA 1.334 64.428 63.100 -0.009 0.000 0.868 67 P CB 0.199 31.898 31.700 -0.003 0.000 0.788 68 E N -0.365 119.821 120.200 -0.022 0.000 2.058 68 E HA -0.248 4.102 4.350 0.000 0.000 0.194 68 E C 2.067 178.640 176.600 -0.045 0.000 0.997 68 E CA 1.177 57.559 56.400 -0.030 0.000 0.801 68 E CB -0.458 29.226 29.700 -0.026 0.000 0.746 68 E HN 0.245 nan 8.360 nan 0.000 0.450 69 E N 0.895 121.067 120.200 -0.048 0.000 2.072 69 E HA -0.163 4.187 4.350 0.000 0.000 0.191 69 E C 1.934 178.480 176.600 -0.090 0.000 0.985 69 E CA 0.855 57.214 56.400 -0.069 0.000 0.801 69 E CB -0.030 29.635 29.700 -0.059 0.000 0.750 69 E HN 0.143 nan 8.360 nan 0.000 0.452 70 I N 0.843 121.375 120.570 -0.064 0.000 2.208 70 I HA -0.231 3.939 4.170 0.000 0.000 0.245 70 I C 2.339 178.409 176.117 -0.079 0.000 1.097 70 I CA 1.267 62.528 61.300 -0.064 0.000 1.363 70 I CB -1.517 36.466 38.000 -0.027 0.000 1.051 70 I HN 0.274 nan 8.210 nan 0.000 0.413 71 Q N 1.613 121.375 119.800 -0.063 0.000 2.170 71 Q HA -0.213 4.127 4.340 0.000 0.000 0.203 71 Q C 2.178 178.127 176.000 -0.086 0.000 0.976 71 Q CA 1.747 57.515 55.803 -0.060 0.000 0.858 71 Q CB -0.279 28.434 28.738 -0.042 0.000 0.907 71 Q HN 0.438 nan 8.270 nan 0.000 0.433 72 K N -0.605 119.728 120.400 -0.112 0.000 2.097 72 K HA -0.098 4.222 4.320 0.000 0.000 0.205 72 K C 1.845 178.309 176.600 -0.228 0.000 1.050 72 K CA 1.321 57.523 56.287 -0.141 0.000 0.938 72 K CB -0.117 32.301 32.500 -0.138 0.000 0.718 72 K HN 0.279 nan 8.250 nan 0.000 0.442 73 V N -0.715 118.999 119.914 -0.333 0.000 2.594 73 V HA -0.224 3.896 4.120 0.000 0.000 0.253 73 V C 1.679 177.606 176.094 -0.280 0.000 1.069 73 V CA 1.563 63.509 62.300 -0.590 0.000 1.082 73 V CB -0.576 30.848 31.823 -0.665 0.000 0.680 73 V HN 0.229 nan 8.190 nan 0.000 0.469 74 K N 0.791 121.103 120.400 -0.146 0.000 2.057 74 K HA 0.025 4.345 4.320 0.000 0.000 0.207 74 K C 2.177 178.752 176.600 -0.042 0.000 1.049 74 K CA 1.882 58.133 56.287 -0.060 0.000 0.931 74 K CB -0.430 32.043 32.500 -0.045 0.000 0.714 74 K HN 0.474 nan 8.250 nan 0.000 0.440 75 L N 0.628 121.814 121.223 -0.062 0.000 2.156 75 L HA -0.094 4.246 4.340 0.000 0.000 0.208 75 L C 2.381 179.235 176.870 -0.026 0.000 1.095 75 L CA 0.824 55.641 54.840 -0.039 0.000 0.770 75 L CB -0.316 41.716 42.059 -0.045 0.000 0.914 75 L HN 0.118 nan 8.230 nan 0.000 0.439 76 E N 0.655 120.820 120.200 -0.057 0.000 2.110 76 E HA -0.178 4.172 4.350 0.000 0.000 0.193 76 E C 2.105 178.774 176.600 0.116 0.000 0.988 76 E CA 1.059 57.460 56.400 0.001 0.000 0.804 76 E CB 0.100 29.726 29.700 -0.122 0.000 0.745 76 E HN 0.234 nan 8.360 nan 0.000 0.458 77 I N 0.298 120.944 120.570 0.126 0.000 2.141 77 I HA -0.225 3.945 4.170 0.000 0.000 0.236 77 I C 2.327 178.489 176.117 0.074 0.000 1.071 77 I CA 1.035 62.426 61.300 0.152 0.000 1.345 77 I CB -1.340 36.747 38.000 0.145 0.000 1.066 77 I HN 0.193 nan 8.210 nan 0.000 0.406 78 L N 0.238 121.488 121.223 0.045 0.000 2.043 78 L HA -0.185 4.156 4.340 0.000 0.000 0.212 78 L C 0.911 177.794 176.870 0.022 0.000 1.075 78 L CA 1.201 56.057 54.840 0.026 0.000 0.752 78 L CB -1.296 40.771 42.059 0.014 0.000 0.891 78 L HN 0.209 nan 8.230 nan 0.000 0.432 79 T N 2.361 116.930 114.554 0.024 0.000 2.987 79 T HA 0.346 4.696 4.350 0.000 0.000 0.288 79 T C 0.207 174.922 174.700 0.026 0.000 0.981 79 T CA -0.277 61.834 62.100 0.018 0.000 1.031 79 T CB 0.191 69.067 68.868 0.012 0.000 0.976 79 T HN 0.129 nan 8.240 nan 0.000 0.612 86 P HA 0.115 nan 4.420 nan 0.000 0.260 86 P C -1.020 176.133 177.300 -0.245 0.000 1.207 86 P CA -0.071 62.881 63.100 -0.247 0.000 0.780 86 P CB 0.454 31.950 31.700 -0.340 0.000 0.789 87 R N 3.545 123.942 120.500 -0.171 0.000 2.467 87 R HA 0.239 4.579 4.340 0.000 0.000 0.299 87 R C -0.394 175.948 176.300 0.069 0.000 1.120 87 R CA -0.494 55.572 56.100 -0.056 0.000 0.940 87 R CB 0.446 30.742 30.300 -0.007 0.000 1.161 87 R HN 0.452 nan 8.270 nan 0.000 0.506 88 W N 1.894 123.244 121.300 0.083 0.000 2.079 88 W HA 0.196 4.856 4.660 0.000 0.000 0.354 88 W C 1.186 177.819 176.519 0.189 0.000 1.302 88 W CA 0.286 57.710 57.345 0.130 0.000 1.281 88 W CB 0.718 30.286 29.460 0.180 0.000 1.165 88 W HN 0.451 nan 8.180 nan 0.000 0.603 89 T N -1.905 112.936 114.554 0.479 0.000 2.864 89 T HA 0.398 4.748 4.350 0.000 0.000 0.289 89 T C -2.155 172.745 174.700 0.334 0.000 1.082 89 T CA -1.805 60.499 62.100 0.340 0.000 1.009 89 T CB 2.305 71.341 68.868 0.281 0.000 1.234 89 T HN -0.067 nan 8.240 nan 0.000 0.526 90 P HA -0.099 nan 4.420 nan 0.000 0.216 90 P C 0.964 178.261 177.300 -0.005 0.000 1.153 90 P CA 1.554 64.661 63.100 0.012 0.000 0.858 90 P CB -0.143 31.514 31.700 -0.072 0.000 0.789 91 H N -0.932 118.182 119.070 0.073 0.000 2.321 91 H HA -0.113 4.443 4.556 0.000 0.000 0.300 91 H C 1.790 177.131 175.328 0.021 0.000 1.087 91 H CA 1.635 57.706 56.048 0.039 0.000 1.319 91 H CB -1.011 28.775 29.762 0.040 0.000 1.379 91 H HN 0.131 nan 8.280 nan 0.000 0.501 92 D N 0.071 120.577 120.400 0.177 0.000 2.149 92 D HA -0.205 4.435 4.640 0.000 0.000 0.194 92 D C 1.766 177.943 176.300 -0.204 0.000 1.001 92 D CA 1.434 55.442 54.000 0.013 0.000 0.849 92 D CB -0.364 40.479 40.800 0.072 0.000 0.939 92 D HN 0.435 nan 8.370 nan 0.000 0.449 93 Y N 0.773 120.948 120.300 -0.208 0.000 2.263 93 Y HA -0.017 4.533 4.550 0.000 0.000 0.292 93 Y C 2.481 178.212 175.900 -0.281 0.000 1.130 93 Y CA 0.415 58.336 58.100 -0.297 0.000 1.179 93 Y CB -0.215 38.066 38.460 -0.299 0.000 0.998 93 Y HN -0.034 nan 8.280 nan 0.000 0.532 94 I N -0.273 120.258 120.570 -0.066 0.000 2.361 94 I HA -0.298 3.872 4.170 0.000 0.000 0.251 94 I C 1.504 177.555 176.117 -0.110 0.000 1.133 94 I CA 1.269 62.502 61.300 -0.111 0.000 1.413 94 I CB -0.343 37.598 38.000 -0.099 0.000 1.073 94 I HN 0.250 nan 8.210 nan 0.000 0.424 95 N N 0.922 119.569 118.700 -0.089 0.000 2.132 95 N HA -0.025 4.715 4.740 0.000 0.000 0.187 95 N C 1.893 177.330 175.510 -0.122 0.000 1.038 95 N CA 1.199 54.201 53.050 -0.080 0.000 0.846 95 N CB -0.235 38.226 38.487 -0.044 0.000 1.012 95 N HN 0.136 nan 8.380 nan 0.000 0.429 96 M N 0.260 119.757 119.600 -0.173 0.000 2.143 96 M HA -0.166 4.314 4.480 0.000 0.000 0.258 96 M C 1.592 177.798 176.300 -0.157 0.000 1.071 96 M CA 1.728 56.931 55.300 -0.160 0.000 1.088 96 M CB -0.885 31.552 32.600 -0.271 0.000 1.360 96 M HN 0.327 nan 8.290 nan 0.000 0.404 97 T N -2.236 112.132 114.554 -0.311 0.000 3.072 97 T HA -0.034 4.316 4.350 0.000 0.000 0.266 97 T C 1.543 176.089 174.700 -0.256 0.000 1.127 97 T CA 0.632 62.475 62.100 -0.429 0.000 1.107 97 T CB -0.306 68.252 68.868 -0.515 0.000 0.910 97 T HN 0.228 nan 8.240 nan 0.000 0.513 98 R N 2.582 122.979 120.500 -0.172 0.000 2.103 98 R HA -0.092 4.248 4.340 0.000 0.000 0.242 98 R C 0.322 176.556 176.300 -0.109 0.000 1.142 98 R CA 1.676 57.703 56.100 -0.122 0.000 0.960 98 R CB -0.661 29.588 30.300 -0.085 0.000 0.858 98 R HN 0.515 nan 8.270 nan 0.000 0.439 99 D N -1.229 119.114 120.400 -0.096 0.000 2.461 99 D HA 0.153 4.793 4.640 0.000 0.000 0.240 99 D C 0.394 176.646 176.300 -0.079 0.000 1.094 99 D CA -0.464 53.490 54.000 -0.077 0.000 0.868 99 D CB 0.768 41.539 40.800 -0.048 0.000 1.062 99 D HN 0.155 nan 8.370 nan 0.000 0.530 100 C N 3.236 122.463 119.300 -0.123 0.000 2.413 100 C HA -0.093 4.367 4.460 0.000 0.000 0.277 100 C C 2.796 177.728 174.990 -0.096 0.000 1.228 100 C CA 1.048 59.970 59.018 -0.161 0.000 1.731 100 C CB -1.193 26.407 27.740 -0.234 0.000 2.042 100 C HN 0.844 nan 8.230 nan 0.000 0.468 101 A N -0.028 122.746 122.820 -0.078 0.000 1.896 101 A HA -0.304 4.017 4.320 0.000 0.000 0.220 101 A C 2.320 179.885 177.584 -0.032 0.000 1.206 101 A CA 2.757 54.765 52.037 -0.049 0.000 0.647 101 A CB -1.225 17.754 19.000 -0.035 0.000 0.828 101 A HN 0.541 nan 8.150 nan 0.000 0.455 102 S N -1.975 113.711 115.700 -0.023 0.000 2.345 102 S HA -0.120 4.350 4.470 0.000 0.000 0.220 102 S C 1.701 176.288 174.600 -0.022 0.000 1.031 102 S CA 1.448 59.638 58.200 -0.017 0.000 0.996 102 S CB -0.519 62.674 63.200 -0.012 0.000 0.882 102 S HN 0.576 nan 8.310 nan 0.000 0.445 103 F N 2.158 122.018 119.950 -0.150 0.000 2.043 103 F HA -0.166 4.361 4.527 0.000 0.000 0.297 103 F C 1.923 177.650 175.800 -0.123 0.000 1.121 103 F CA 1.833 59.724 58.000 -0.181 0.000 1.199 103 F CB -0.627 38.210 39.000 -0.271 0.000 0.968 103 F HN 0.219 nan 8.300 nan 0.000 0.478 104 I N 0.020 120.534 120.570 -0.093 0.000 2.091 104 I HA -0.372 3.798 4.170 0.000 0.000 0.239 104 I C 2.769 178.870 176.117 -0.026 0.000 1.061 104 I CA 1.916 63.162 61.300 -0.091 0.000 1.317 104 I CB -0.587 37.380 38.000 -0.055 0.000 1.031 104 I HN 0.142 nan 8.210 nan 0.000 0.401 105 R N 0.339 120.823 120.500 -0.027 0.000 2.080 105 R HA -0.185 4.155 4.340 0.000 0.000 0.236 105 R C 2.324 178.606 176.300 -0.030 0.000 1.137 105 R CA 2.441 58.537 56.100 -0.007 0.000 0.943 105 R CB -0.413 29.882 30.300 -0.008 0.000 0.846 105 R HN 0.324 nan 8.270 nan 0.000 0.431 106 T N 1.080 115.591 114.554 -0.071 0.000 2.595 106 T HA -0.130 4.220 4.350 0.000 0.000 0.264 106 T C 1.753 176.406 174.700 -0.079 0.000 1.058 106 T CA 1.279 63.337 62.100 -0.069 0.000 1.166 106 T CB -0.247 68.570 68.868 -0.085 0.000 0.863 106 T HN 0.283 nan 8.240 nan 0.000 0.415 107 R N 1.415 121.796 120.500 -0.198 0.000 2.341 107 R HA 0.027 4.367 4.340 0.000 0.000 0.213 107 R C 0.177 176.463 176.300 -0.024 0.000 1.082 107 R CA 0.412 56.428 56.100 -0.139 0.000 1.017 107 R CB -0.402 29.681 30.300 -0.361 0.000 0.860 107 R HN 0.562 nan 8.270 nan 0.000 0.473 108 K N -0.051 120.356 120.400 0.012 0.000 3.619 108 K HA -0.208 4.112 4.320 0.000 0.000 0.275 108 K C -1.131 175.499 176.600 0.051 0.000 0.993 108 K CA 0.458 56.763 56.287 0.030 0.000 0.787 108 K CB -1.838 30.654 32.500 -0.014 0.000 1.431 108 K HN 0.226 nan 8.250 nan 0.000 0.451 109 Y N 0.636 120.935 120.300 -0.002 0.000 2.336 109 Y HA 0.237 4.787 4.550 0.000 0.000 0.335 109 Y C 1.397 177.378 175.900 0.134 0.000 1.046 109 Y CA -0.951 57.187 58.100 0.064 0.000 1.198 109 Y CB 0.698 39.201 38.460 0.071 0.000 1.182 109 Y HN 0.164 nan 8.280 nan 0.000 0.502 110 I N 5.716 126.426 120.570 0.234 0.000 2.691 110 I HA -0.069 4.101 4.170 0.000 0.000 0.288 110 I C 0.826 177.118 176.117 0.293 0.000 1.143 110 I CA 0.196 61.602 61.300 0.178 0.000 1.364 110 I CB -0.014 38.026 38.000 0.067 0.000 1.435 110 I HN 0.533 nan 8.210 nan 0.000 0.551 111 V N 1.738 121.816 119.914 0.272 0.000 3.342 111 V HA 0.323 4.443 4.120 0.000 0.000 0.322 111 V C 0.234 176.430 176.094 0.169 0.000 1.370 111 V CA 0.030 62.514 62.300 0.308 0.000 1.170 111 V CB -0.305 31.686 31.823 0.280 0.000 1.101 111 V HN 0.674 nan 8.190 nan 0.000 0.442 112 E N 1.466 121.730 120.200 0.107 0.000 2.244 112 E HA 0.562 4.912 4.350 0.000 0.000 0.260 112 E C -2.968 173.649 176.600 0.029 0.000 0.884 112 E CA -2.236 54.202 56.400 0.062 0.000 0.777 112 E CB 2.140 31.872 29.700 0.053 0.000 1.197 112 E HN 0.197 nan 8.360 nan 0.000 0.416 113 P HA -0.054 nan 4.420 nan 0.000 0.263 113 P C 0.374 177.675 177.300 0.001 0.000 1.175 113 P CA 0.375 63.473 63.100 -0.003 0.000 0.761 113 P CB 0.563 32.266 31.700 0.004 0.000 0.794 114 L N 1.042 122.260 121.223 -0.008 0.000 2.068 114 L HA 0.004 4.344 4.340 0.000 0.000 0.204 114 L C 1.490 178.358 176.870 -0.004 0.000 1.076 114 L CA 1.558 56.393 54.840 -0.008 0.000 0.753 114 L CB -0.596 41.451 42.059 -0.019 0.000 0.910 114 L HN 0.512 nan 8.230 nan 0.000 0.439 115 T N -4.382 110.171 114.554 -0.001 0.000 2.831 115 T HA 0.277 4.627 4.350 0.000 0.000 0.287 115 T C 0.410 175.118 174.700 0.013 0.000 1.070 115 T CA -0.802 61.299 62.100 0.003 0.000 1.010 115 T CB 2.114 70.979 68.868 -0.004 0.000 1.264 115 T HN -0.094 nan 8.240 nan 0.000 0.532 116 K N -0.186 120.223 120.400 0.015 0.000 2.305 116 K HA 0.123 4.443 4.320 0.000 0.000 0.199 116 K C 2.047 178.669 176.600 0.036 0.000 1.047 116 K CA 0.475 56.777 56.287 0.025 0.000 0.976 116 K CB 0.084 32.597 32.500 0.021 0.000 0.765 116 K HN 0.706 nan 8.250 nan 0.000 0.474 117 E N 1.478 121.693 120.200 0.025 0.000 2.107 117 E HA -0.171 4.179 4.350 0.000 0.000 0.191 117 E C 1.327 177.964 176.600 0.062 0.000 0.982 117 E CA 1.018 57.435 56.400 0.028 0.000 0.809 117 E CB 0.301 29.995 29.700 -0.009 0.000 0.756 117 E HN 0.305 nan 8.360 nan 0.000 0.459 118 E N -0.189 120.043 120.200 0.054 0.000 2.076 118 E HA -0.102 4.248 4.350 0.000 0.000 0.190 118 E C 2.185 178.853 176.600 0.113 0.000 0.979 118 E CA 0.797 57.249 56.400 0.087 0.000 0.807 118 E CB 0.176 29.901 29.700 0.042 0.000 0.761 118 E HN 0.086 nan 8.360 nan 0.000 0.454 119 V N 1.122 121.079 119.914 0.072 0.000 2.469 119 V HA -0.204 3.916 4.120 0.000 0.000 0.251 119 V C 2.157 178.306 176.094 0.091 0.000 1.064 119 V CA 1.996 64.334 62.300 0.064 0.000 1.066 119 V CB -0.646 31.203 31.823 0.044 0.000 0.667 119 V HN 0.414 nan 8.190 nan 0.000 0.461 120 G N -2.559 106.311 108.800 0.117 0.000 2.920 120 G HA2 -0.031 3.929 3.960 0.000 0.000 0.208 120 G HA3 -0.031 3.929 3.960 0.000 0.000 0.208 120 G C 0.257 175.286 174.900 0.216 0.000 1.159 120 G CA -0.035 45.145 45.100 0.135 0.000 0.784 120 G HN 0.458 nan 8.290 nan 0.000 0.535 121 F N 1.306 121.288 119.950 0.054 0.000 2.809 121 F HA 0.428 4.955 4.527 0.000 0.000 0.369 121 F C -2.578 173.280 175.800 0.097 0.000 1.225 121 F CA -2.491 55.555 58.000 0.076 0.000 1.201 121 F CB 2.175 41.212 39.000 0.061 0.000 1.527 121 F HN -0.147 nan 8.300 nan 0.000 0.565 122 P HA 0.258 nan 4.420 nan 0.000 0.276 122 P C -0.416 176.960 177.300 0.126 0.000 1.230 122 P CA 0.280 63.448 63.100 0.113 0.000 0.776 122 P CB 1.067 32.900 31.700 0.222 0.000 0.888 123 I N 1.733 122.383 120.570 0.133 0.000 2.648 123 I HA 0.671 4.841 4.170 0.000 0.000 0.304 123 I C 0.069 176.146 176.117 -0.068 0.000 1.009 123 I CA -0.975 60.357 61.300 0.054 0.000 1.114 123 I CB 1.993 39.989 38.000 -0.006 0.000 1.293 123 I HN 0.281 nan 8.210 nan 0.000 0.449 124 A N 4.890 127.546 122.820 -0.273 0.000 2.371 124 A HA 0.785 5.105 4.320 0.000 0.000 0.311 124 A C -1.692 175.542 177.584 -0.583 0.000 1.068 124 A CA -0.318 51.427 52.037 -0.485 0.000 0.744 124 A CB 0.865 19.221 19.000 -1.072 0.000 1.239 124 A HN 0.573 nan 8.150 nan 0.000 0.435 125 Y N 0.444 120.515 120.300 -0.382 0.000 2.446 125 Y HA 0.630 5.180 4.550 0.000 0.000 0.345 125 Y C 0.595 176.360 175.900 -0.226 0.000 0.984 125 Y CA -0.434 57.509 58.100 -0.262 0.000 1.058 125 Y CB 2.628 40.997 38.460 -0.151 0.000 1.220 125 Y HN 0.567 nan 8.280 nan 0.000 0.455 126 S N 4.282 119.957 115.700 -0.041 0.000 2.669 126 S HA 0.627 5.097 4.470 0.000 0.000 0.315 126 S C -1.121 173.456 174.600 -0.039 0.000 1.106 126 S CA -0.481 57.684 58.200 -0.058 0.000 1.107 126 S CB -0.334 62.822 63.200 -0.073 0.000 0.990 126 S HN 0.541 nan 8.310 nan 0.000 0.471 127 I N 4.529 125.099 120.570 -0.001 0.000 2.354 127 I HA 0.452 4.622 4.170 0.000 0.000 0.292 127 I C -0.548 175.605 176.117 0.060 0.000 0.989 127 I CA -0.996 60.311 61.300 0.013 0.000 1.188 127 I CB 1.878 39.893 38.000 0.025 0.000 1.342 127 I HN 0.217 nan 8.210 nan 0.000 0.457 128 V N 7.372 127.321 119.914 0.059 0.000 2.347 128 V HA 0.477 4.597 4.120 0.000 0.000 0.280 128 V C 0.026 176.194 176.094 0.123 0.000 1.021 128 V CA -0.434 61.931 62.300 0.108 0.000 0.847 128 V CB 1.729 33.567 31.823 0.025 0.000 0.990 128 V HN 0.579 nan 8.190 nan 0.000 0.444 129 V N 2.561 122.582 119.914 0.179 0.000 3.130 129 V HA 0.712 4.832 4.120 0.000 0.000 0.310 129 V C 0.027 176.211 176.094 0.150 0.000 1.158 129 V CA -0.133 62.287 62.300 0.201 0.000 1.029 129 V CB 1.972 33.978 31.823 0.306 0.000 1.057 129 V HN 0.955 nan 8.190 nan 0.000 0.436 130 H N -0.490 118.430 119.070 -0.250 0.000 3.838 130 H HA 0.522 5.078 4.556 0.000 0.000 0.255 130 H C 0.396 175.136 175.328 -0.980 0.000 1.074 130 H CA 0.382 56.128 56.048 -0.503 0.000 1.143 130 H CB 0.530 30.063 29.762 -0.382 0.000 1.479 130 H HN 1.009 nan 8.280 nan 0.000 0.644 131 H N -0.219 118.194 119.070 -1.095 0.000 2.905 131 H HA 0.385 4.941 4.556 0.000 0.000 0.280 131 H C -0.946 174.312 175.328 -0.116 0.000 1.445 131 H CA -1.688 53.738 56.048 -1.035 0.000 1.165 131 H CB 0.620 29.882 29.762 -0.833 0.000 1.857 131 H HN 0.123 nan 8.280 nan 0.000 0.567 132 K N 0.218 120.698 120.400 0.133 0.000 3.585 132 K HA -0.162 4.159 4.320 0.000 0.000 0.275 132 K C 0.383 177.134 176.600 0.251 0.000 1.026 132 K CA 0.651 56.998 56.287 0.098 0.000 0.800 132 K CB -1.180 31.261 32.500 -0.097 0.000 1.401 132 K HN 0.506 nan 8.250 nan 0.000 0.453 133 I N 1.288 121.989 120.570 0.218 0.000 2.502 133 I HA -0.241 3.929 4.170 0.000 0.000 0.258 133 I C 2.129 178.077 176.117 -0.283 0.000 1.172 133 I CA 1.899 63.061 61.300 -0.230 0.000 1.430 133 I CB -0.108 37.526 38.000 -0.611 0.000 1.086 133 I HN 0.485 nan 8.210 nan 0.000 0.440 134 E N -0.743 119.446 120.200 -0.017 0.000 2.216 134 E HA -0.146 4.204 4.350 0.000 0.000 0.192 134 E C 2.206 178.895 176.600 0.150 0.000 0.988 134 E CA 0.643 57.145 56.400 0.170 0.000 0.834 134 E CB 0.054 29.941 29.700 0.312 0.000 0.772 134 E HN 0.435 nan 8.360 nan 0.000 0.479 135 M N 0.184 119.854 119.600 0.117 0.000 2.123 135 M HA -0.111 4.369 4.480 0.000 0.000 0.263 135 M C 2.418 178.806 176.300 0.145 0.000 1.069 135 M CA 0.755 56.139 55.300 0.140 0.000 1.133 135 M CB -0.509 32.181 32.600 0.149 0.000 1.356 135 M HN 0.244 nan 8.290 nan 0.000 0.415 136 L N 1.301 122.592 121.223 0.113 0.000 2.042 136 L HA -0.226 4.115 4.340 0.000 0.000 0.210 136 L C 1.890 178.798 176.870 0.063 0.000 1.076 136 L CA 2.304 57.195 54.840 0.084 0.000 0.749 136 L CB -0.899 41.185 42.059 0.043 0.000 0.893 136 L HN 0.257 nan 8.230 nan 0.000 0.432 137 D N -0.865 119.573 120.400 0.064 0.000 2.144 137 D HA -0.226 4.414 4.640 0.000 0.000 0.200 137 D C 2.366 178.775 176.300 0.181 0.000 0.978 137 D CA 1.279 55.395 54.000 0.194 0.000 0.833 137 D CB -0.059 40.942 40.800 0.335 0.000 0.961 137 D HN 0.353 nan 8.370 nan 0.000 0.470 138 R N -0.634 119.966 120.500 0.167 0.000 2.066 138 R HA -0.064 4.276 4.340 0.000 0.000 0.232 138 R C 2.320 178.693 176.300 0.121 0.000 1.131 138 R CA 1.036 57.227 56.100 0.152 0.000 0.955 138 R CB -0.437 29.979 30.300 0.193 0.000 0.851 138 R HN 0.256 nan 8.270 nan 0.000 0.432 139 L N 0.824 122.130 121.223 0.139 0.000 2.083 139 L HA -0.123 4.217 4.340 0.000 0.000 0.209 139 L C 1.955 178.730 176.870 -0.157 0.000 1.083 139 L CA 1.516 56.340 54.840 -0.027 0.000 0.752 139 L CB -0.511 41.582 42.059 0.057 0.000 0.899 139 L HN 0.263 nan 8.230 nan 0.000 0.433 140 L N -0.391 120.778 121.223 -0.089 0.000 2.141 140 L HA -0.128 4.212 4.340 0.000 0.000 0.209 140 L C 2.677 179.409 176.870 -0.231 0.000 1.094 140 L CA 1.688 56.437 54.840 -0.151 0.000 0.763 140 L CB -0.703 41.334 42.059 -0.037 0.000 0.908 140 L HN 0.371 nan 8.230 nan 0.000 0.437 141 R N -0.812 119.485 120.500 -0.339 0.000 2.093 141 R HA -0.015 4.325 4.340 0.000 0.000 0.224 141 R C 2.114 178.161 176.300 -0.422 0.000 1.101 141 R CA 0.992 56.635 56.100 -0.763 0.000 0.979 141 R CB -0.228 29.538 30.300 -0.890 0.000 0.877 141 R HN 0.420 nan 8.270 nan 0.000 0.441 142 A N 1.456 124.083 122.820 -0.321 0.000 2.019 142 A HA -0.098 4.222 4.320 0.000 0.000 0.219 142 A C 1.937 179.329 177.584 -0.319 0.000 1.164 142 A CA 1.472 53.311 52.037 -0.331 0.000 0.644 142 A CB -0.419 18.247 19.000 -0.557 0.000 0.805 142 A HN 0.609 nan 8.150 nan 0.000 0.449 143 I N -5.659 114.728 120.570 -0.305 0.000 4.154 143 I HA 0.356 4.526 4.170 0.000 0.000 0.334 143 I C 0.395 176.407 176.117 -0.174 0.000 1.371 143 I CA -0.723 60.432 61.300 -0.243 0.000 1.110 143 I CB 0.068 37.853 38.000 -0.358 0.000 1.085 143 I HN 0.105 nan 8.210 nan 0.000 0.398 144 Y N 3.824 123.906 120.300 -0.363 0.000 2.442 144 Y HA 0.546 5.096 4.550 0.000 0.000 0.330 144 Y C -0.289 175.550 175.900 -0.102 0.000 1.129 144 Y CA 0.043 57.903 58.100 -0.400 0.000 1.365 144 Y CB 0.588 38.796 38.460 -0.421 0.000 1.233 144 Y HN 0.120 nan 8.280 nan 0.000 0.529 145 M N 8.978 127.980 119.600 -0.997 0.000 2.284 145 M HA 0.180 4.660 4.480 0.000 0.000 0.281 145 M C -1.956 173.882 176.300 -0.770 0.000 1.083 145 M CA -2.227 52.679 55.300 -0.657 0.000 0.965 145 M CB 2.127 34.605 32.600 -0.204 0.000 1.717 145 M HN 0.359 nan 8.290 nan 0.000 0.479 146 P HA -0.243 nan 4.420 nan 0.000 0.217 146 P C 1.000 178.183 177.300 -0.195 0.000 1.151 146 P CA 1.811 64.784 63.100 -0.211 0.000 0.849 146 P CB 0.008 31.705 31.700 -0.006 0.000 0.787 147 Q N -0.005 119.679 119.800 -0.193 0.000 2.378 147 Q HA -0.014 4.326 4.340 0.000 0.000 0.205 147 Q C 0.724 176.490 176.000 -0.391 0.000 0.954 147 Q CA 0.681 56.361 55.803 -0.204 0.000 0.901 147 Q CB -1.031 27.663 28.738 -0.073 0.000 0.981 147 Q HN 0.399 nan 8.270 nan 0.000 0.483 148 N N -0.423 118.062 118.700 -0.358 0.000 2.366 148 N HA 0.393 5.133 4.740 0.000 0.000 0.277 148 N C -1.138 173.863 175.510 -0.848 0.000 1.275 148 N CA -0.331 52.461 53.050 -0.430 0.000 0.964 148 N CB 0.431 38.781 38.487 -0.230 0.000 1.167 148 N HN -0.046 nan 8.380 nan 0.000 0.568 149 F N 0.357 120.067 119.950 -0.401 0.000 2.561 149 F HA 0.375 4.902 4.527 0.000 0.000 0.313 149 F C -1.152 174.258 175.800 -0.650 0.000 1.126 149 F CA -0.641 57.187 58.000 -0.287 0.000 0.918 149 F CB 1.115 40.034 39.000 -0.135 0.000 1.199 149 F HN 0.287 nan 8.300 nan 0.000 0.444 150 Y N 1.865 122.255 120.300 0.150 0.000 2.326 150 Y HA 0.485 5.035 4.550 0.000 0.000 0.329 150 Y C -0.396 175.246 175.900 -0.430 0.000 0.973 150 Y CA -1.052 57.020 58.100 -0.048 0.000 1.162 150 Y CB 1.839 40.276 38.460 -0.038 0.000 1.147 150 Y HN 0.672 nan 8.280 nan 0.000 0.456 151 C N 6.695 125.758 119.300 -0.395 0.000 2.281 151 C HA 0.741 5.201 4.460 0.000 0.000 0.323 151 C C -0.313 174.510 174.990 -0.278 0.000 1.270 151 C CA -0.747 57.825 59.018 -0.743 0.000 1.559 151 C CB -1.403 26.052 27.740 -0.475 0.000 2.239 151 C HN 0.806 nan 8.230 nan 0.000 0.488 152 I N 6.610 127.039 120.570 -0.234 0.000 2.359 152 I HA 0.339 4.509 4.170 0.000 0.000 0.294 152 I C 0.062 176.203 176.117 0.041 0.000 0.987 152 I CA -0.236 61.039 61.300 -0.042 0.000 1.225 152 I CB 1.053 39.037 38.000 -0.026 0.000 1.366 152 I HN 0.672 nan 8.210 nan 0.000 0.466 153 H N 6.655 125.732 119.070 0.012 0.000 2.551 153 H HA 0.457 5.013 4.556 0.000 0.000 0.321 153 H C -1.608 173.760 175.328 0.068 0.000 1.028 153 H CA -0.515 55.555 56.048 0.038 0.000 1.215 153 H CB 1.519 31.295 29.762 0.024 0.000 1.414 153 H HN 0.302 nan 8.280 nan 0.000 0.480 154 V N 5.742 125.475 119.914 -0.300 0.000 2.427 154 V HA 0.033 4.153 4.120 0.000 0.000 0.286 154 V C 0.766 176.697 176.094 -0.271 0.000 1.034 154 V CA -0.825 61.410 62.300 -0.108 0.000 0.893 154 V CB 1.467 33.318 31.823 0.046 0.000 0.982 154 V HN 0.772 nan 8.190 nan 0.000 0.452 155 D N 3.526 123.884 120.400 -0.069 0.000 2.443 155 D HA 0.061 4.701 4.640 0.000 0.000 0.239 155 D C 1.160 177.443 176.300 -0.028 0.000 1.136 155 D CA -0.003 53.992 54.000 -0.008 0.000 0.879 155 D CB 0.946 41.772 40.800 0.042 0.000 1.195 155 D HN 0.444 nan 8.370 nan 0.000 0.443 156 R N 2.365 122.861 120.500 -0.006 0.000 2.189 156 R HA -0.084 4.256 4.340 0.000 0.000 0.223 156 R C 1.362 177.669 176.300 0.012 0.000 1.092 156 R CA 0.835 56.937 56.100 0.003 0.000 0.989 156 R CB 0.209 30.520 30.300 0.019 0.000 0.876 156 R HN 0.361 nan 8.270 nan 0.000 0.457 157 K N 0.355 120.764 120.400 0.015 0.000 2.505 157 K HA 0.130 4.451 4.320 0.000 0.000 0.192 157 K C 0.338 176.935 176.600 -0.004 0.000 1.025 157 K CA -0.052 56.243 56.287 0.014 0.000 1.086 157 K CB 0.621 33.134 32.500 0.022 0.000 0.840 157 K HN 0.072 nan 8.250 nan 0.000 0.514 158 A N 1.527 124.335 122.820 -0.019 0.000 2.322 158 A HA 0.132 4.452 4.320 0.000 0.000 0.269 158 A C -0.008 177.578 177.584 0.004 0.000 1.094 158 A CA -0.573 51.429 52.037 -0.058 0.000 0.807 158 A CB 0.367 19.308 19.000 -0.098 0.000 1.047 158 A HN 0.080 nan 8.150 nan 0.000 0.487 159 E N 1.040 121.251 120.200 0.018 0.000 2.392 159 E HA 0.010 4.360 4.350 0.000 0.000 0.264 159 E C 0.850 177.503 176.600 0.089 0.000 1.024 159 E CA 0.096 56.533 56.400 0.062 0.000 0.903 159 E CB 0.505 30.254 29.700 0.082 0.000 0.963 159 E HN 0.731 nan 8.360 nan 0.000 0.432 160 E N 1.231 121.465 120.200 0.056 0.000 2.118 160 E HA -0.201 4.150 4.350 0.000 0.000 0.195 160 E C 1.786 178.390 176.600 0.006 0.000 0.992 160 E CA 1.558 57.979 56.400 0.035 0.000 0.804 160 E CB -0.006 29.707 29.700 0.022 0.000 0.741 160 E HN 0.523 nan 8.360 nan 0.000 0.458 161 S N 0.757 116.447 115.700 -0.016 0.000 2.382 161 S HA -0.197 4.273 4.470 0.000 0.000 0.228 161 S C 1.890 176.430 174.600 -0.101 0.000 1.027 161 S CA 0.785 58.892 58.200 -0.155 0.000 0.991 161 S CB -0.555 62.488 63.200 -0.261 0.000 0.823 161 S HN 0.319 nan 8.310 nan 0.000 0.469 162 F N 2.022 121.909 119.950 -0.105 0.000 2.084 162 F HA 0.060 4.587 4.527 0.000 0.000 0.296 162 F C 2.076 177.821 175.800 -0.092 0.000 1.111 162 F CA 1.239 59.184 58.000 -0.090 0.000 1.224 162 F CB -0.467 38.503 39.000 -0.051 0.000 0.991 162 F HN 0.250 nan 8.300 nan 0.000 0.471 163 L N 0.984 122.322 121.223 0.190 0.000 2.012 163 L HA -0.116 4.224 4.340 0.000 0.000 0.210 163 L C 2.440 179.266 176.870 -0.073 0.000 1.073 163 L CA 2.173 57.062 54.840 0.082 0.000 0.748 163 L CB -1.409 40.697 42.059 0.079 0.000 0.891 163 L HN 0.181 nan 8.230 nan 0.000 0.431 164 A N -0.394 122.373 122.820 -0.089 0.000 1.908 164 A HA -0.163 4.157 4.320 0.000 0.000 0.218 164 A C 2.488 179.958 177.584 -0.190 0.000 1.181 164 A CA 2.125 54.088 52.037 -0.124 0.000 0.627 164 A CB -1.314 17.612 19.000 -0.123 0.000 0.818 164 A HN 0.627 nan 8.150 nan 0.000 0.445 165 A N -0.561 122.099 122.820 -0.267 0.000 1.892 165 A HA -0.076 4.245 4.320 0.000 0.000 0.218 165 A C 2.240 179.608 177.584 -0.359 0.000 1.188 165 A CA 2.076 53.914 52.037 -0.331 0.000 0.631 165 A CB -1.029 17.689 19.000 -0.469 0.000 0.822 165 A HN 0.485 nan 8.150 nan 0.000 0.447 166 V N -0.020 119.657 119.914 -0.394 0.000 2.427 166 V HA -0.299 3.821 4.120 0.000 0.000 0.248 166 V C 2.577 178.567 176.094 -0.174 0.000 1.051 166 V CA 2.130 64.256 62.300 -0.289 0.000 1.048 166 V CB -1.019 30.672 31.823 -0.220 0.000 0.666 166 V HN 0.657 nan 8.190 nan 0.000 0.456 167 Q N 0.342 120.058 119.800 -0.141 0.000 2.124 167 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 167 Q C 2.406 178.326 176.000 -0.133 0.000 0.977 167 Q CA 1.583 57.330 55.803 -0.093 0.000 0.850 167 Q CB -0.544 28.151 28.738 -0.071 0.000 0.901 167 Q HN 0.712 nan 8.270 nan 0.000 0.429 168 G N 1.607 110.294 108.800 -0.188 0.000 2.480 168 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 168 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 168 G C 1.439 176.142 174.900 -0.328 0.000 1.200 168 G CA 0.881 45.835 45.100 -0.243 0.000 0.782 168 G HN 0.221 nan 8.290 nan 0.000 0.554 169 I N 1.646 122.004 120.570 -0.353 0.000 2.127 169 I HA -0.216 3.954 4.170 0.000 0.000 0.241 169 I C 3.347 179.338 176.117 -0.211 0.000 1.075 169 I CA 1.145 62.205 61.300 -0.399 0.000 1.334 169 I CB -0.486 37.367 38.000 -0.245 0.000 1.040 169 I HN 0.242 nan 8.210 nan 0.000 0.405 170 A N 1.109 123.878 122.820 -0.085 0.000 1.997 170 A HA -0.288 4.032 4.320 0.000 0.000 0.221 170 A C 2.451 180.041 177.584 0.009 0.000 1.172 170 A CA 2.570 54.628 52.037 0.034 0.000 0.645 170 A CB -0.964 18.061 19.000 0.041 0.000 0.813 170 A HN 0.611 nan 8.150 nan 0.000 0.454 171 S N -1.436 114.201 115.700 -0.105 0.000 2.453 171 S HA -0.141 4.329 4.470 0.000 0.000 0.231 171 S C 1.663 176.133 174.600 -0.216 0.000 1.005 171 S CA 1.169 59.297 58.200 -0.119 0.000 0.949 171 S CB -1.180 61.937 63.200 -0.139 0.000 0.774 171 S HN 0.587 nan 8.310 nan 0.000 0.510 172 C N 0.819 119.863 119.300 -0.426 0.000 2.472 172 C HA 0.388 4.848 4.460 0.000 0.000 0.278 172 C C 0.060 174.528 174.990 -0.871 0.000 1.447 172 C CA -0.468 58.113 59.018 -0.729 0.000 1.773 172 C CB -1.795 25.288 27.740 -1.094 0.000 1.793 172 C HN 0.524 nan 8.230 nan 0.000 0.544 173 F N 1.238 121.115 119.950 -0.121 0.000 2.539 173 F HA 0.315 4.842 4.527 0.000 0.000 0.318 173 F C 0.731 176.573 175.800 0.070 0.000 1.135 173 F CA -1.349 56.622 58.000 -0.047 0.000 0.915 173 F CB 0.825 39.755 39.000 -0.117 0.000 1.176 173 F HN 0.006 nan 8.300 nan 0.000 0.440 174 D N -0.323 120.245 120.400 0.280 0.000 2.312 174 D HA -0.145 4.496 4.640 0.000 0.000 0.211 174 D C 0.828 177.326 176.300 0.330 0.000 0.964 174 D CA 0.951 55.096 54.000 0.241 0.000 0.877 174 D CB -0.346 40.562 40.800 0.181 0.000 0.924 174 D HN 0.472 nan 8.370 nan 0.000 0.515 175 N N 0.435 119.373 118.700 0.396 0.000 2.230 175 N HA 0.019 4.759 4.740 0.000 0.000 0.202 175 N C -0.468 175.380 175.510 0.563 0.000 1.119 175 N CA -0.196 53.120 53.050 0.443 0.000 0.851 175 N CB 0.626 39.248 38.487 0.226 0.000 0.990 175 N HN 0.048 nan 8.380 nan 0.000 0.497 176 V N 1.787 121.999 119.914 0.498 0.000 2.540 176 V HA 0.643 4.763 4.120 0.000 0.000 0.302 176 V C -0.925 175.387 176.094 0.364 0.000 1.035 176 V CA -0.885 61.629 62.300 0.356 0.000 0.873 176 V CB 0.885 32.841 31.823 0.221 0.000 0.992 176 V HN 0.254 nan 8.190 nan 0.000 0.428 177 F N 2.665 122.721 119.950 0.177 0.000 2.668 177 F HA 0.854 5.381 4.527 0.000 0.000 0.309 177 F C -0.977 174.880 175.800 0.095 0.000 1.117 177 F CA -1.325 56.745 58.000 0.117 0.000 0.951 177 F CB 1.221 40.290 39.000 0.115 0.000 1.323 177 F HN 0.186 nan 8.300 nan 0.000 0.451 178 V N 2.401 122.446 119.914 0.218 0.000 2.607 178 V HA 0.624 4.744 4.120 0.000 0.000 0.289 178 V C 0.734 176.985 176.094 0.262 0.000 1.053 178 V CA -0.370 62.000 62.300 0.117 0.000 0.996 178 V CB 1.069 32.937 31.823 0.074 0.000 0.995 178 V HN 1.128 nan 8.190 nan 0.000 0.476 179 A N 3.441 126.367 122.820 0.177 0.000 2.540 179 A HA 0.237 4.558 4.320 0.000 0.000 0.239 179 A C 1.554 179.259 177.584 0.202 0.000 1.061 179 A CA 0.471 52.663 52.037 0.257 0.000 0.758 179 A CB 0.103 19.243 19.000 0.233 0.000 0.991 179 A HN 1.312 nan 8.150 nan 0.000 0.502 180 S N 1.257 117.080 115.700 0.205 0.000 2.469 180 S HA -0.113 4.357 4.470 0.000 0.000 0.238 180 S C 0.670 175.334 174.600 0.107 0.000 0.998 180 S CA 1.428 59.706 58.200 0.130 0.000 0.957 180 S CB -0.177 63.084 63.200 0.101 0.000 0.764 180 S HN 0.821 nan 8.310 nan 0.000 0.514 181 Q N 0.412 120.290 119.800 0.129 0.000 2.275 181 Q HA 0.570 4.910 4.340 0.000 0.000 0.266 181 Q C -1.742 174.346 176.000 0.146 0.000 1.002 181 Q CA -0.592 55.281 55.803 0.118 0.000 0.761 181 Q CB 1.241 30.051 28.738 0.119 0.000 1.255 181 Q HN 0.429 nan 8.270 nan 0.000 0.446 182 L N 2.736 124.012 121.223 0.088 0.000 2.317 182 L HA 0.578 4.918 4.340 0.000 0.000 0.281 182 L C 0.016 176.976 176.870 0.151 0.000 1.024 182 L CA -0.967 53.899 54.840 0.044 0.000 0.810 182 L CB 1.425 43.412 42.059 -0.120 0.000 1.240 182 L HN 0.518 nan 8.230 nan 0.000 0.427 183 E N 1.078 121.487 120.200 0.348 0.000 2.232 183 E HA 0.265 4.615 4.350 0.000 0.000 0.264 183 E C -0.705 175.990 176.600 0.159 0.000 0.973 183 E CA -0.508 56.020 56.400 0.213 0.000 0.849 183 E CB 2.138 31.933 29.700 0.159 0.000 1.198 183 E HN 0.410 nan 8.360 nan 0.000 0.407 184 S N 1.211 116.969 115.700 0.096 0.000 2.466 184 S HA 0.251 4.721 4.470 0.000 0.000 0.313 184 S C -0.372 174.261 174.600 0.056 0.000 1.078 184 S CA -0.614 57.628 58.200 0.069 0.000 1.115 184 S CB -0.300 62.932 63.200 0.053 0.000 1.006 184 S HN 0.243 nan 8.310 nan 0.000 0.487 185 V N 5.857 125.803 119.914 0.054 0.000 2.572 185 V HA 0.268 4.388 4.120 0.000 0.000 0.291 185 V C 0.224 176.320 176.094 0.003 0.000 1.039 185 V CA -0.208 62.096 62.300 0.006 0.000 1.055 185 V CB 1.236 33.048 31.823 -0.018 0.000 0.969 185 V HN 0.651 nan 8.190 nan 0.000 0.482 186 V N 5.012 124.922 119.914 -0.006 0.000 2.555 186 V HA 0.289 4.409 4.120 0.000 0.000 0.302 186 V C -0.447 175.651 176.094 0.008 0.000 1.038 186 V CA -0.975 61.338 62.300 0.023 0.000 0.887 186 V CB 1.660 33.502 31.823 0.031 0.000 0.991 186 V HN 0.740 nan 8.190 nan 0.000 0.434 187 Y N 4.605 124.858 120.300 -0.079 0.000 2.721 187 Y HA 0.287 4.837 4.550 0.000 0.000 0.329 187 Y C 1.078 176.868 175.900 -0.183 0.000 1.211 187 Y CA 0.711 58.745 58.100 -0.110 0.000 1.512 187 Y CB 0.193 38.616 38.460 -0.062 0.000 1.249 187 Y HN 1.090 nan 8.280 nan 0.000 0.549 188 A N 3.361 125.648 122.820 -0.887 0.000 2.887 188 A HA -0.215 4.105 4.320 0.000 0.000 0.257 188 A C 0.673 177.863 177.584 -0.656 0.000 1.372 188 A CA 0.992 52.421 52.037 -1.012 0.000 0.879 188 A CB -2.259 15.815 19.000 -1.543 0.000 1.082 188 A HN 1.405 nan 8.150 nan 0.000 0.703 189 S N -1.494 113.983 115.700 -0.372 0.000 2.681 189 S HA 0.524 4.994 4.470 0.000 0.000 0.299 189 S C 0.775 175.286 174.600 -0.149 0.000 1.113 189 S CA 0.313 58.396 58.200 -0.195 0.000 1.013 189 S CB 1.061 64.218 63.200 -0.072 0.000 1.076 189 S HN 1.268 nan 8.310 nan 0.000 0.534 190 W N 2.414 123.608 121.300 -0.178 0.000 2.341 190 W HA -0.210 4.450 4.660 0.000 0.000 0.283 190 W C 1.645 178.094 176.519 -0.118 0.000 1.215 190 W CA 2.228 59.478 57.345 -0.158 0.000 1.211 190 W CB -0.973 28.418 29.460 -0.115 0.000 1.131 190 W HN 0.953 nan 8.180 nan 0.000 0.552 191 T N -0.780 113.649 114.554 -0.209 0.000 2.929 191 T HA -0.233 4.117 4.350 0.000 0.000 0.271 191 T C 1.723 176.224 174.700 -0.331 0.000 1.085 191 T CA 1.432 63.386 62.100 -0.243 0.000 1.125 191 T CB -0.499 68.334 68.868 -0.058 0.000 0.874 191 T HN 0.095 nan 8.240 nan 0.000 0.494 192 R N 1.134 121.435 120.500 -0.330 0.000 2.115 192 R HA 0.124 4.464 4.340 0.000 0.000 0.230 192 R C 2.069 178.165 176.300 -0.341 0.000 1.111 192 R CA 1.104 57.025 56.100 -0.297 0.000 0.976 192 R CB -1.062 29.082 30.300 -0.260 0.000 0.870 192 R HN 0.389 nan 8.270 nan 0.000 0.445 193 V N 0.708 120.295 119.914 -0.544 0.000 2.488 193 V HA -0.088 4.032 4.120 0.000 0.000 0.246 193 V C 2.140 177.899 176.094 -0.559 0.000 1.046 193 V CA 1.758 63.712 62.300 -0.577 0.000 1.053 193 V CB -0.409 30.746 31.823 -1.114 0.000 0.679 193 V HN 0.275 nan 8.190 nan 0.000 0.458 194 K N 1.579 121.524 120.400 -0.758 0.000 2.097 194 K HA -0.077 4.243 4.320 0.000 0.000 0.206 194 K C 2.022 178.494 176.600 -0.215 0.000 1.049 194 K CA 1.732 57.771 56.287 -0.413 0.000 0.933 194 K CB -0.636 31.676 32.500 -0.313 0.000 0.717 194 K HN 0.354 nan 8.250 nan 0.000 0.442 195 A N 1.149 123.780 122.820 -0.315 0.000 1.865 195 A HA -0.203 4.118 4.320 0.000 0.000 0.217 195 A C 1.909 179.351 177.584 -0.237 0.000 1.191 195 A CA 2.105 53.849 52.037 -0.487 0.000 0.623 195 A CB -0.914 17.507 19.000 -0.965 0.000 0.826 195 A HN 0.444 nan 8.150 nan 0.000 0.444 196 D N -0.099 120.226 120.400 -0.125 0.000 2.123 196 D HA -0.119 4.521 4.640 0.000 0.000 0.196 196 D C 1.954 178.320 176.300 0.111 0.000 0.992 196 D CA 1.087 55.109 54.000 0.037 0.000 0.833 196 D CB -0.320 40.588 40.800 0.180 0.000 0.954 196 D HN 0.449 nan 8.370 nan 0.000 0.455 197 L N 0.704 121.998 121.223 0.119 0.000 2.083 197 L HA -0.197 4.143 4.340 0.000 0.000 0.209 197 L C 2.003 178.944 176.870 0.120 0.000 1.083 197 L CA 0.862 55.792 54.840 0.151 0.000 0.752 197 L CB -0.347 41.783 42.059 0.118 0.000 0.899 197 L HN -0.031 nan 8.230 nan 0.000 0.433 198 N N -0.789 117.964 118.700 0.090 0.000 2.120 198 N HA -0.163 4.577 4.740 0.000 0.000 0.188 198 N C 1.851 177.455 175.510 0.156 0.000 1.024 198 N CA 1.465 54.590 53.050 0.125 0.000 0.852 198 N CB -0.682 37.893 38.487 0.146 0.000 1.003 198 N HN 0.285 nan 8.380 nan 0.000 0.424 199 C N 0.495 119.879 119.300 0.140 0.000 2.446 199 C HA 0.016 4.477 4.460 0.000 0.000 0.277 199 C C 2.646 177.727 174.990 0.152 0.000 1.275 199 C CA 0.467 59.574 59.018 0.148 0.000 1.727 199 C CB -0.926 26.861 27.740 0.077 0.000 2.010 199 C HN 0.484 nan 8.230 nan 0.000 0.486 200 M N 0.384 120.069 119.600 0.142 0.000 2.106 200 M HA -0.232 4.248 4.480 0.000 0.000 0.259 200 M C 2.352 178.797 176.300 0.241 0.000 1.068 200 M CA 1.809 57.216 55.300 0.178 0.000 1.100 200 M CB -0.602 32.105 32.600 0.179 0.000 1.351 200 M HN 0.384 nan 8.290 nan 0.000 0.404 201 K N 0.322 120.838 120.400 0.193 0.000 2.057 201 K HA -0.185 4.135 4.320 0.000 0.000 0.207 201 K C 1.466 178.195 176.600 0.215 0.000 1.049 201 K CA 1.577 57.979 56.287 0.192 0.000 0.931 201 K CB -0.060 32.521 32.500 0.134 0.000 0.714 201 K HN 0.305 nan 8.250 nan 0.000 0.440 202 D N 0.868 121.391 120.400 0.204 0.000 2.097 202 D HA -0.155 4.486 4.640 0.000 0.000 0.195 202 D C 2.085 178.490 176.300 0.174 0.000 0.989 202 D CA 1.060 55.168 54.000 0.180 0.000 0.827 202 D CB -0.077 40.917 40.800 0.325 0.000 0.966 202 D HN 0.224 nan 8.370 nan 0.000 0.456 203 L N -0.265 121.105 121.223 0.244 0.000 2.056 203 L HA -0.184 4.156 4.340 0.000 0.000 0.207 203 L C 2.523 179.567 176.870 0.290 0.000 1.078 203 L CA 0.825 55.743 54.840 0.129 0.000 0.749 203 L CB -0.430 41.532 42.059 -0.162 0.000 0.901 203 L HN 0.030 nan 8.230 nan 0.000 0.433 204 Y N 1.003 121.488 120.300 0.308 0.000 2.114 204 Y HA -0.254 4.296 4.550 0.000 0.000 0.284 204 Y C 2.777 178.771 175.900 0.157 0.000 1.143 204 Y CA 1.671 59.984 58.100 0.355 0.000 1.135 204 Y CB -0.055 38.550 38.460 0.241 0.000 0.980 204 Y HN -0.021 nan 8.280 nan 0.000 0.499 205 R N -0.793 119.842 120.500 0.225 0.000 2.148 205 R HA -0.129 4.211 4.340 0.000 0.000 0.223 205 R C 2.349 178.633 176.300 -0.026 0.000 1.088 205 R CA 1.469 57.618 56.100 0.082 0.000 0.985 205 R CB -0.332 30.026 30.300 0.097 0.000 0.880 205 R HN 0.422 nan 8.270 nan 0.000 0.451 206 M N 0.160 119.734 119.600 -0.044 0.000 2.254 206 M HA -0.046 4.434 4.480 0.000 0.000 0.265 206 M C 0.232 176.429 176.300 -0.171 0.000 1.066 206 M CA 1.144 56.364 55.300 -0.133 0.000 1.123 206 M CB 0.408 32.878 32.600 -0.218 0.000 1.388 206 M HN 0.002 nan 8.290 nan 0.000 0.425 207 N N -1.340 117.255 118.700 -0.175 0.000 2.598 207 N HA 0.318 5.058 4.740 0.000 0.000 0.263 207 N C -1.567 173.786 175.510 -0.262 0.000 1.254 207 N CA 0.312 53.218 53.050 -0.240 0.000 0.863 207 N CB 1.815 39.968 38.487 -0.557 0.000 1.586 207 N HN 0.042 nan 8.380 nan 0.000 0.491 208 A N 1.769 124.391 122.820 -0.330 0.000 2.594 208 A HA 0.300 4.620 4.320 0.000 0.000 0.287 208 A C 0.044 177.350 177.584 -0.463 0.000 1.227 208 A CA -0.283 51.448 52.037 -0.509 0.000 0.952 208 A CB -0.159 18.605 19.000 -0.394 0.000 1.161 208 A HN 0.638 nan 8.150 nan 0.000 0.524 209 N N 0.267 118.775 118.700 -0.321 0.000 2.171 209 N HA 0.077 4.817 4.740 0.000 0.000 0.212 209 N C -0.065 175.385 175.510 -0.101 0.000 1.184 209 N CA -0.196 52.744 53.050 -0.184 0.000 0.888 209 N CB 0.210 38.681 38.487 -0.026 0.000 1.038 209 N HN 0.815 nan 8.380 nan 0.000 0.517 210 W N 1.618 122.854 121.300 -0.106 0.000 2.261 210 W HA 0.429 5.090 4.660 0.000 0.000 0.323 210 W C 0.523 176.933 176.519 -0.182 0.000 1.243 210 W CA -0.556 56.746 57.345 -0.071 0.000 1.210 210 W CB 0.678 30.144 29.460 0.010 0.000 1.149 210 W HN -0.298 nan 8.180 nan 0.000 0.562 211 K N 2.091 122.459 120.400 -0.054 0.000 2.029 211 K HA 0.012 4.332 4.320 0.000 0.000 0.205 211 K C 0.035 176.607 176.600 -0.046 0.000 1.042 211 K CA 1.115 57.258 56.287 -0.239 0.000 0.949 211 K CB -0.448 31.697 32.500 -0.591 0.000 0.740 211 K HN 0.421 nan 8.250 nan 0.000 0.442 212 Y N -0.604 119.805 120.300 0.181 0.000 2.562 212 Y HA 0.437 4.987 4.550 0.000 0.000 0.343 212 Y C -0.499 175.539 175.900 0.230 0.000 1.025 212 Y CA -1.526 56.721 58.100 0.246 0.000 1.082 212 Y CB 1.465 40.002 38.460 0.127 0.000 1.264 212 Y HN -0.149 nan 8.280 nan 0.000 0.478 213 L N 3.243 124.651 121.223 0.309 0.000 2.362 213 L HA 0.703 5.043 4.340 0.000 0.000 0.275 213 L C -1.595 175.261 176.870 -0.023 0.000 0.998 213 L CA -0.674 54.143 54.840 -0.039 0.000 0.820 213 L CB 0.965 43.001 42.059 -0.038 0.000 1.270 213 L HN 0.517 nan 8.230 nan 0.000 0.415 214 I N 5.445 125.841 120.570 -0.291 0.000 2.406 214 I HA 0.401 4.571 4.170 0.000 0.000 0.290 214 I C -0.758 175.119 176.117 -0.399 0.000 0.999 214 I CA -0.782 60.309 61.300 -0.348 0.000 1.124 214 I CB 1.782 39.522 38.000 -0.434 0.000 1.289 214 I HN 0.732 nan 8.210 nan 0.000 0.441 215 N N 8.450 126.777 118.700 -0.622 0.000 2.438 215 N HA 0.583 5.324 4.740 0.000 0.000 0.282 215 N C -1.315 173.951 175.510 -0.407 0.000 1.037 215 N CA -0.441 52.300 53.050 -0.514 0.000 0.942 215 N CB 2.061 40.094 38.487 -0.757 0.000 1.136 215 N HN 0.500 nan 8.380 nan 0.000 0.481 216 L N 0.299 121.362 121.223 -0.267 0.000 2.323 216 L HA 0.614 4.954 4.340 0.000 0.000 0.265 216 L C 0.281 177.080 176.870 -0.118 0.000 1.012 216 L CA -1.188 53.476 54.840 -0.293 0.000 0.820 216 L CB 1.986 43.866 42.059 -0.297 0.000 1.334 216 L HN 0.802 nan 8.230 nan 0.000 0.427 217 C N -1.301 117.939 119.300 -0.101 0.000 2.630 217 C HA 0.707 5.167 4.460 0.000 0.000 0.346 217 C C 1.692 176.720 174.990 0.063 0.000 1.245 217 C CA 0.069 59.105 59.018 0.030 0.000 1.804 217 C CB 0.950 28.759 27.740 0.114 0.000 2.279 217 C HN 0.995 nan 8.230 nan 0.000 0.498 218 G N 0.575 109.449 108.800 0.124 0.000 2.469 218 G HA2 -0.167 3.793 3.960 0.000 0.000 0.220 218 G HA3 -0.167 3.793 3.960 0.000 0.000 0.220 218 G C 1.086 176.113 174.900 0.212 0.000 1.136 218 G CA 1.021 46.235 45.100 0.189 0.000 0.759 218 G HN 0.800 nan 8.290 nan 0.000 0.562 219 M N 1.160 120.884 119.600 0.206 0.000 2.530 219 M HA 0.211 4.691 4.480 0.000 0.000 0.231 219 M C -0.472 176.028 176.300 0.333 0.000 1.180 219 M CA -0.089 55.362 55.300 0.252 0.000 0.985 219 M CB 0.445 33.162 32.600 0.195 0.000 1.623 219 M HN -0.044 nan 8.290 nan 0.000 0.475 220 D N -0.057 120.505 120.400 0.270 0.000 2.253 220 D HA 0.394 5.034 4.640 0.000 0.000 0.249 220 D C -1.247 175.361 176.300 0.513 0.000 1.049 220 D CA 0.202 54.404 54.000 0.336 0.000 0.929 220 D CB 1.709 42.533 40.800 0.040 0.000 1.176 220 D HN -0.032 nan 8.370 nan 0.000 0.437 221 F N 1.226 121.457 119.950 0.468 0.000 2.601 221 F HA 0.322 4.849 4.527 0.000 0.000 0.309 221 F C -2.407 173.533 175.800 0.233 0.000 1.089 221 F CA -1.983 56.124 58.000 0.179 0.000 0.940 221 F CB 2.550 41.264 39.000 -0.477 0.000 1.273 221 F HN 0.045 nan 8.300 nan 0.000 0.450 222 P HA 0.306 nan 4.420 nan 0.000 0.277 222 P C 0.019 177.154 177.300 -0.275 0.000 1.240 222 P CA 0.013 62.688 63.100 -0.708 0.000 0.798 222 P CB 1.564 32.654 31.700 -1.018 0.000 0.979 223 I N -2.445 117.971 120.570 -0.256 0.000 3.966 223 I HA 0.428 4.598 4.170 0.000 0.000 0.324 223 I C -0.247 175.786 176.117 -0.140 0.000 1.517 223 I CA -0.349 60.901 61.300 -0.083 0.000 1.117 223 I CB 0.214 38.225 38.000 0.019 0.000 1.190 223 I HN -0.027 nan 8.210 nan 0.000 0.466 224 K N 1.827 122.077 120.400 -0.250 0.000 2.508 224 K HA 0.421 4.741 4.320 0.000 0.000 0.260 224 K C -0.266 176.184 176.600 -0.249 0.000 0.949 224 K CA -0.342 55.816 56.287 -0.215 0.000 0.834 224 K CB 2.633 35.020 32.500 -0.189 0.000 1.365 224 K HN 0.222 nan 8.250 nan 0.000 0.437 225 T N -1.921 112.514 114.554 -0.198 0.000 2.788 225 T HA 0.082 4.433 4.350 0.000 0.000 0.287 225 T C 1.209 175.828 174.700 -0.135 0.000 1.007 225 T CA -0.300 61.694 62.100 -0.178 0.000 1.005 225 T CB 0.810 69.587 68.868 -0.152 0.000 1.012 225 T HN 0.549 nan 8.240 nan 0.000 0.530 226 N N -0.321 118.321 118.700 -0.097 0.000 2.166 226 N HA -0.119 4.621 4.740 0.000 0.000 0.186 226 N C 1.734 177.225 175.510 -0.032 0.000 1.019 226 N CA 1.162 54.193 53.050 -0.031 0.000 0.856 226 N CB -0.436 38.047 38.487 -0.006 0.000 0.993 226 N HN 0.609 nan 8.380 nan 0.000 0.426 227 L N 1.927 123.116 121.223 -0.057 0.000 2.056 227 L HA -0.050 4.290 4.340 0.000 0.000 0.207 227 L C 2.054 178.871 176.870 -0.089 0.000 1.078 227 L CA 1.597 56.399 54.840 -0.065 0.000 0.749 227 L CB -0.562 41.459 42.059 -0.063 0.000 0.901 227 L HN 0.122 nan 8.230 nan 0.000 0.433 228 E N -0.357 119.786 120.200 -0.095 0.000 2.118 228 E HA -0.251 4.099 4.350 0.000 0.000 0.195 228 E C 2.284 178.820 176.600 -0.107 0.000 0.992 228 E CA 1.711 58.049 56.400 -0.103 0.000 0.804 228 E CB -0.237 29.397 29.700 -0.109 0.000 0.741 228 E HN 0.569 nan 8.360 nan 0.000 0.458 229 I N 0.606 121.121 120.570 -0.092 0.000 2.202 229 I HA -0.249 3.921 4.170 0.000 0.000 0.242 229 I C 2.384 178.446 176.117 -0.091 0.000 1.091 229 I CA 0.779 62.038 61.300 -0.068 0.000 1.368 229 I CB -0.154 37.847 38.000 0.001 0.000 1.058 229 I HN -0.021 nan 8.210 nan 0.000 0.410 230 V N 0.893 120.754 119.914 -0.089 0.000 2.392 230 V HA -0.297 3.823 4.120 0.000 0.000 0.249 230 V C 2.536 178.381 176.094 -0.415 0.000 1.059 230 V CA 1.852 64.023 62.300 -0.215 0.000 1.051 230 V CB -0.817 30.910 31.823 -0.160 0.000 0.658 230 V HN 0.382 nan 8.190 nan 0.000 0.455 231 R N 0.044 120.386 120.500 -0.264 0.000 2.075 231 R HA -0.129 4.211 4.340 0.000 0.000 0.232 231 R C 2.411 178.583 176.300 -0.213 0.000 1.126 231 R CA 1.362 57.318 56.100 -0.241 0.000 0.963 231 R CB -0.328 29.878 30.300 -0.156 0.000 0.858 231 R HN 0.500 nan 8.270 nan 0.000 0.435 232 K N 0.646 120.942 120.400 -0.174 0.000 2.147 232 K HA -0.083 4.237 4.320 0.000 0.000 0.205 232 K C 2.115 178.607 176.600 -0.181 0.000 1.049 232 K CA 1.011 57.208 56.287 -0.149 0.000 0.936 232 K CB -0.084 32.336 32.500 -0.133 0.000 0.722 232 K HN 0.181 nan 8.250 nan 0.000 0.446 233 L N 0.939 122.016 121.223 -0.244 0.000 2.093 233 L HA -0.150 4.190 4.340 0.000 0.000 0.208 233 L C 2.230 179.015 176.870 -0.142 0.000 1.085 233 L CA 1.235 55.893 54.840 -0.303 0.000 0.755 233 L CB -0.355 41.559 42.059 -0.241 0.000 0.904 233 L HN 0.128 nan 8.230 nan 0.000 0.435 234 K N -0.394 119.835 120.400 -0.284 0.000 2.147 234 K HA -0.132 4.189 4.320 0.000 0.000 0.205 234 K C 2.096 178.668 176.600 -0.047 0.000 1.049 234 K CA 1.356 57.537 56.287 -0.177 0.000 0.936 234 K CB -0.192 32.113 32.500 -0.326 0.000 0.722 234 K HN 0.411 nan 8.250 nan 0.000 0.446 235 C N 0.150 119.405 119.300 -0.075 0.000 2.464 235 C HA 0.036 4.496 4.460 0.000 0.000 0.278 235 C C 2.492 177.491 174.990 0.015 0.000 1.375 235 C CA 0.263 59.263 59.018 -0.030 0.000 1.761 235 C CB -0.515 27.195 27.740 -0.050 0.000 1.944 235 C HN 0.360 nan 8.230 nan 0.000 0.509 236 S N -0.038 115.674 115.700 0.020 0.000 2.500 236 S HA -0.116 4.355 4.470 0.000 0.000 0.239 236 S C 1.273 175.967 174.600 0.157 0.000 0.989 236 S CA 1.310 59.562 58.200 0.087 0.000 0.951 236 S CB -0.620 62.619 63.200 0.064 0.000 0.759 236 S HN 0.760 nan 8.310 nan 0.000 0.523 237 T N 0.780 115.419 114.554 0.142 0.000 3.708 237 T HA -0.242 4.108 4.350 0.000 0.000 0.375 237 T C 0.977 175.781 174.700 0.174 0.000 0.763 237 T CA 1.311 63.498 62.100 0.145 0.000 1.915 237 T CB -1.910 67.015 68.868 0.096 0.000 1.783 237 T HN 1.167 nan 8.240 nan 0.000 0.734 238 G N -0.038 108.914 108.800 0.253 0.000 2.199 238 G HA2 -0.233 3.727 3.960 0.000 0.000 0.254 238 G HA3 -0.233 3.727 3.960 0.000 0.000 0.254 238 G C -0.200 174.799 174.900 0.165 0.000 0.982 238 G CA 0.541 45.750 45.100 0.182 0.000 0.632 238 G HN 0.822 nan 8.290 nan 0.000 0.529 239 E N 0.610 120.950 120.200 0.234 0.000 2.314 239 E HA 0.471 4.821 4.350 0.000 0.000 0.262 239 E C 0.046 176.786 176.600 0.233 0.000 1.093 239 E CA -0.799 55.727 56.400 0.211 0.000 0.908 239 E CB 0.514 30.414 29.700 0.333 0.000 1.091 239 E HN 0.258 nan 8.360 nan 0.000 0.425 240 N N 1.652 120.377 118.700 0.042 0.000 2.495 240 N HA 0.204 4.944 4.740 0.000 0.000 0.280 240 N C -0.866 174.669 175.510 0.042 0.000 1.168 240 N CA -0.340 52.712 53.050 0.002 0.000 0.978 240 N CB 0.833 39.146 38.487 -0.291 0.000 1.191 240 N HN 0.365 nan 8.380 nan 0.000 0.497 241 N N 1.384 120.135 118.700 0.084 0.000 2.410 241 N HA 0.510 5.250 4.740 0.000 0.000 0.287 241 N C -1.588 173.998 175.510 0.126 0.000 1.044 241 N CA -0.314 52.822 53.050 0.144 0.000 0.881 241 N CB 0.980 39.537 38.487 0.116 0.000 1.405 241 N HN 0.593 nan 8.380 nan 0.000 0.490 242 L N -0.434 120.889 121.223 0.166 0.000 2.866 242 L HA 0.547 4.887 4.340 0.000 0.000 0.262 242 L C -0.418 176.590 176.870 0.230 0.000 0.986 242 L CA -1.035 53.920 54.840 0.192 0.000 0.925 242 L CB 1.356 43.511 42.059 0.161 0.000 1.484 242 L HN 0.294 nan 8.230 nan 0.000 0.414 243 E N 0.307 120.658 120.200 0.252 0.000 2.413 243 E HA 0.369 4.719 4.350 0.000 0.000 0.263 243 E C -0.908 175.835 176.600 0.238 0.000 1.015 243 E CA 0.471 57.024 56.400 0.255 0.000 0.916 243 E CB 0.697 30.556 29.700 0.265 0.000 0.947 243 E HN 0.723 nan 8.360 nan 0.000 0.440 244 T N 3.941 118.633 114.554 0.229 0.000 4.096 244 T HA 0.175 4.525 4.350 0.000 0.000 0.336 244 T C -1.550 173.283 174.700 0.221 0.000 0.820 244 T CA -0.563 61.657 62.100 0.200 0.000 0.986 244 T CB 0.206 69.116 68.868 0.070 0.000 1.077 244 T HN 0.555 nan 8.240 nan 0.000 0.466 245 E N 1.880 122.285 120.200 0.342 0.000 2.378 245 E HA 0.432 4.782 4.350 0.000 0.000 0.265 245 E C -0.785 176.126 176.600 0.518 0.000 0.932 245 E CA -1.286 55.338 56.400 0.373 0.000 0.795 245 E CB 1.938 31.789 29.700 0.251 0.000 1.296 245 E HN 0.437 nan 8.360 nan 0.000 0.438 246 K N 1.578 122.203 120.400 0.376 0.000 2.511 246 K HA -0.034 4.286 4.320 0.000 0.000 0.280 246 K C -0.095 176.587 176.600 0.136 0.000 1.008 246 K CA -0.094 56.318 56.287 0.208 0.000 1.050 246 K CB 0.325 32.916 32.500 0.152 0.000 0.889 246 K HN 0.392 nan 8.250 nan 0.000 0.484 247 M N 7.856 127.471 119.600 0.026 0.000 2.427 247 M HA 0.111 4.591 4.480 0.000 0.000 0.345 247 M C -2.266 174.102 176.300 0.114 0.000 1.653 247 M CA -1.254 54.102 55.300 0.093 0.000 1.138 247 M CB 0.365 33.004 32.600 0.065 0.000 1.995 247 M HN 0.359 nan 8.290 nan 0.000 0.459 248 P HA 0.267 nan 4.420 nan 0.000 0.274 248 P C -2.417 174.931 177.300 0.081 0.000 1.231 248 P CA -1.169 61.986 63.100 0.093 0.000 0.790 248 P CB 0.083 31.835 31.700 0.087 0.000 0.951 249 P HA -0.166 nan 4.420 nan 0.000 0.215 249 P C 1.107 178.396 177.300 -0.017 0.000 1.153 249 P CA 1.393 64.500 63.100 0.011 0.000 0.853 249 P CB -0.323 31.377 31.700 -0.001 0.000 0.788 250 N N -0.020 118.671 118.700 -0.014 0.000 2.609 250 N HA -0.139 4.601 4.740 0.000 0.000 0.190 250 N C 0.811 176.305 175.510 -0.026 0.000 1.157 250 N CA 1.077 54.106 53.050 -0.035 0.000 0.918 250 N CB -0.433 38.029 38.487 -0.043 0.000 0.978 250 N HN 0.210 nan 8.380 nan 0.000 0.448 251 K N -0.093 120.317 120.400 0.016 0.000 2.438 251 K HA 0.187 4.507 4.320 0.000 0.000 0.205 251 K C 0.679 177.296 176.600 0.030 0.000 1.033 251 K CA -0.145 56.181 56.287 0.065 0.000 1.089 251 K CB 0.656 33.254 32.500 0.163 0.000 0.857 251 K HN 0.239 nan 8.250 nan 0.000 0.522 252 E N 1.456 121.572 120.200 -0.139 0.000 2.158 252 E HA -0.158 4.192 4.350 0.000 0.000 0.191 252 E C 1.212 177.271 176.600 -0.902 0.000 0.982 252 E CA 0.874 56.917 56.400 -0.595 0.000 0.823 252 E CB 0.135 29.567 29.700 -0.446 0.000 0.766 252 E HN 0.393 nan 8.360 nan 0.000 0.468 253 E N 1.315 121.264 120.200 -0.418 0.000 2.331 253 E HA -0.196 4.154 4.350 0.000 0.000 0.199 253 E C 1.817 178.333 176.600 -0.141 0.000 1.008 253 E CA 0.626 56.864 56.400 -0.270 0.000 0.843 253 E CB -0.289 29.328 29.700 -0.138 0.000 0.761 253 E HN 0.190 nan 8.360 nan 0.000 0.507 254 R N 0.548 120.951 120.500 -0.162 0.000 2.148 254 R HA -0.061 4.279 4.340 0.000 0.000 0.227 254 R C 1.583 177.973 176.300 0.151 0.000 1.103 254 R CA 1.573 57.693 56.100 0.034 0.000 0.983 254 R CB -0.106 30.343 30.300 0.248 0.000 0.874 254 R HN 0.565 nan 8.270 nan 0.000 0.451 255 W N -0.946 120.413 121.300 0.097 0.000 2.714 255 W HA 0.359 5.019 4.660 0.000 0.000 0.353 255 W C 0.562 177.108 176.519 0.044 0.000 0.999 255 W CA -0.540 56.810 57.345 0.009 0.000 1.629 255 W CB -0.076 29.266 29.460 -0.196 0.000 1.106 255 W HN -0.203 nan 8.180 nan 0.000 0.545 256 K N 1.689 121.927 120.400 -0.270 0.000 2.076 256 K HA 0.013 4.333 4.320 0.000 0.000 0.204 256 K C 0.963 177.543 176.600 -0.033 0.000 1.051 256 K CA 1.037 57.221 56.287 -0.171 0.000 0.949 256 K CB -0.075 32.230 32.500 -0.326 0.000 0.726 256 K HN -0.009 nan 8.250 nan 0.000 0.443 257 K N 1.167 121.555 120.400 -0.020 0.000 2.132 257 K HA 0.296 4.616 4.320 0.000 0.000 0.241 257 K C 0.373 176.958 176.600 -0.024 0.000 1.000 257 K CA -0.531 55.712 56.287 -0.074 0.000 0.911 257 K CB 1.107 33.475 32.500 -0.220 0.000 1.093 257 K HN -0.065 nan 8.250 nan 0.000 0.460 258 R N 0.535 120.959 120.500 -0.126 0.000 2.500 258 R HA 0.350 4.690 4.340 0.000 0.000 0.277 258 R C -0.647 175.538 176.300 -0.193 0.000 1.026 258 R CA -0.496 55.570 56.100 -0.056 0.000 1.058 258 R CB 0.605 30.865 30.300 -0.067 0.000 1.078 258 R HN 0.426 nan 8.270 nan 0.000 0.509 259 Y N -0.347 119.951 120.300 -0.003 0.000 2.462 259 Y HA 0.577 5.127 4.550 0.000 0.000 0.346 259 Y C -0.114 175.804 175.900 0.030 0.000 0.976 259 Y CA -0.704 57.419 58.100 0.039 0.000 1.044 259 Y CB 2.400 40.924 38.460 0.107 0.000 1.230 259 Y HN 0.658 nan 8.280 nan 0.000 0.455 260 A N 1.577 124.481 122.820 0.140 0.000 2.454 260 A HA 0.753 5.074 4.320 0.000 0.000 0.302 260 A C -1.599 176.055 177.584 0.117 0.000 1.079 260 A CA -0.799 51.297 52.037 0.098 0.000 0.731 260 A CB 1.135 20.158 19.000 0.039 0.000 1.299 260 A HN 0.480 nan 8.150 nan 0.000 0.413 261 V N 2.020 121.992 119.914 0.097 0.000 2.427 261 V HA 0.325 4.445 4.120 0.000 0.000 0.268 261 V C -0.366 175.771 176.094 0.072 0.000 1.046 261 V CA 0.033 62.389 62.300 0.094 0.000 0.970 261 V CB 0.809 32.679 31.823 0.080 0.000 1.001 261 V HN 0.560 nan 8.190 nan 0.000 0.476 262 V N 4.846 124.806 119.914 0.076 0.000 2.376 262 V HA 0.434 4.554 4.120 0.000 0.000 0.287 262 V C 0.043 176.171 176.094 0.057 0.000 1.015 262 V CA -0.671 61.663 62.300 0.056 0.000 0.834 262 V CB 1.232 33.084 31.823 0.048 0.000 1.001 262 V HN 0.949 nan 8.190 nan 0.000 0.428 263 D N 4.324 124.752 120.400 0.047 0.000 2.699 263 D HA -0.185 4.455 4.640 0.000 0.000 0.239 263 D C 1.344 177.675 176.300 0.052 0.000 1.136 263 D CA 1.533 55.560 54.000 0.044 0.000 0.668 263 D CB -1.014 39.809 40.800 0.039 0.000 1.060 263 D HN 1.408 nan 8.370 nan 0.000 0.429 264 G N -0.037 108.797 108.800 0.057 0.000 2.189 264 G HA2 -0.374 3.587 3.960 0.000 0.000 0.267 264 G HA3 -0.374 3.587 3.960 0.000 0.000 0.267 264 G C 0.229 175.180 174.900 0.086 0.000 0.975 264 G CA 1.266 46.404 45.100 0.064 0.000 0.644 264 G HN 0.756 nan 8.290 nan 0.000 0.537 265 K N -0.563 119.897 120.400 0.100 0.000 2.426 265 K HA 0.776 5.096 4.320 0.000 0.000 0.254 265 K C -0.202 176.499 176.600 0.169 0.000 0.936 265 K CA -1.416 54.956 56.287 0.141 0.000 0.801 265 K CB 2.209 34.793 32.500 0.139 0.000 1.139 265 K HN 0.094 nan 8.250 nan 0.000 0.424 266 L N 3.530 124.882 121.223 0.216 0.000 2.534 266 L HA 0.189 4.529 4.340 0.000 0.000 0.271 266 L C -0.521 176.572 176.870 0.373 0.000 1.178 266 L CA 1.323 56.331 54.840 0.279 0.000 0.907 266 L CB 0.026 42.239 42.059 0.256 0.000 1.164 266 L HN 1.005 nan 8.230 nan 0.000 0.482 267 T N 1.082 115.816 114.554 0.300 0.000 2.907 267 T HA 0.344 4.694 4.350 0.000 0.000 0.292 267 T C -0.092 174.613 174.700 0.009 0.000 1.043 267 T CA -1.039 61.178 62.100 0.195 0.000 1.003 267 T CB 1.274 70.192 68.868 0.082 0.000 1.084 267 T HN 0.447 nan 8.240 nan 0.000 0.483 268 N N 1.979 120.552 118.700 -0.212 0.000 2.400 268 N HA 0.049 4.789 4.740 0.000 0.000 0.267 268 N C 1.587 176.876 175.510 -0.368 0.000 1.208 268 N CA 0.338 52.998 53.050 -0.650 0.000 0.951 268 N CB 1.134 39.343 38.487 -0.463 0.000 1.227 268 N HN 0.899 nan 8.380 nan 0.000 0.488 269 T N 1.023 115.365 114.554 -0.354 0.000 2.833 269 T HA 0.030 4.381 4.350 0.000 0.000 0.269 269 T C 1.374 175.975 174.700 -0.166 0.000 1.054 269 T CA 1.290 63.274 62.100 -0.192 0.000 1.135 269 T CB -0.196 68.586 68.868 -0.143 0.000 0.869 269 T HN 0.607 nan 8.240 nan 0.000 0.466 270 G N 1.277 109.954 108.800 -0.205 0.000 2.232 270 G HA2 -0.178 3.782 3.960 0.000 0.000 0.226 270 G HA3 -0.178 3.782 3.960 0.000 0.000 0.226 270 G C 0.138 174.969 174.900 -0.115 0.000 0.996 270 G CA -0.125 44.888 45.100 -0.146 0.000 0.626 270 G HN 0.660 nan 8.290 nan 0.000 0.509 271 I N 2.736 123.239 120.570 -0.111 0.000 2.578 271 I HA 0.220 4.390 4.170 0.000 0.000 0.286 271 I C 1.116 177.192 176.117 -0.067 0.000 1.126 271 I CA -0.335 60.919 61.300 -0.075 0.000 1.380 271 I CB 0.774 38.736 38.000 -0.065 0.000 1.408 271 I HN -0.058 nan 8.210 nan 0.000 0.532 272 V N 7.845 127.731 119.914 -0.046 0.000 2.740 272 V HA 0.042 4.162 4.120 0.000 0.000 0.303 272 V C 0.542 176.641 176.094 0.009 0.000 1.054 272 V CA -0.158 62.127 62.300 -0.024 0.000 1.106 272 V CB 0.652 32.465 31.823 -0.016 0.000 0.957 272 V HN 0.757 nan 8.190 nan 0.000 0.486 273 K N 3.640 124.068 120.400 0.046 0.000 2.221 273 K HA 0.862 5.182 4.320 0.000 0.000 0.243 273 K C -0.220 176.504 176.600 0.207 0.000 0.968 273 K CA -0.737 55.608 56.287 0.097 0.000 0.846 273 K CB 1.709 34.235 32.500 0.043 0.000 1.141 273 K HN 0.644 nan 8.250 nan 0.000 0.434 274 A N 2.074 125.045 122.820 0.252 0.000 2.547 274 A HA 0.187 4.507 4.320 0.000 0.000 0.233 274 A C -2.130 175.685 177.584 0.385 0.000 1.067 274 A CA -0.636 51.564 52.037 0.271 0.000 0.763 274 A CB -0.816 18.334 19.000 0.250 0.000 1.007 274 A HN 0.580 nan 8.150 nan 0.000 0.506 275 P HA 0.259 nan 4.420 nan 0.000 0.272 275 P C -2.426 174.705 177.300 -0.282 0.000 1.230 275 P CA -0.884 62.258 63.100 0.070 0.000 0.788 275 P CB -0.185 31.514 31.700 -0.003 0.000 0.949 276 P HA 0.075 nan 4.420 nan 0.000 0.267 276 P C -2.172 174.619 177.300 -0.847 0.000 1.200 276 P CA -0.734 61.498 63.100 -1.447 0.000 0.772 276 P CB -0.734 30.284 31.700 -1.138 0.000 0.855 277 P HA 0.202 nan 4.420 nan 0.000 0.220 277 P C -0.792 176.327 177.300 -0.303 0.000 1.778 277 P CA 0.567 63.421 63.100 -0.409 0.000 0.912 277 P CB -0.110 31.408 31.700 -0.303 0.000 1.861 278 L N 0.077 121.115 121.223 -0.309 0.000 2.422 278 L HA 0.433 4.773 4.340 0.000 0.000 0.264 278 L C 1.223 177.998 176.870 -0.158 0.000 0.984 278 L CA -0.868 53.845 54.840 -0.211 0.000 0.819 278 L CB 2.601 44.522 42.059 -0.229 0.000 1.330 278 L HN -0.303 nan 8.230 nan 0.000 0.410 279 K N 0.700 121.040 120.400 -0.101 0.000 2.137 279 K HA 0.045 4.365 4.320 0.000 0.000 0.202 279 K C 0.713 177.276 176.600 -0.062 0.000 1.052 279 K CA 0.870 57.113 56.287 -0.072 0.000 0.961 279 K CB 0.125 32.597 32.500 -0.045 0.000 0.741 279 K HN 0.735 nan 8.250 nan 0.000 0.452 280 T N 0.424 114.950 114.554 -0.047 0.000 2.910 280 T HA 0.391 4.741 4.350 0.000 0.000 0.293 280 T C -2.405 172.255 174.700 -0.066 0.000 1.015 280 T CA -1.914 60.181 62.100 -0.007 0.000 1.094 280 T CB 1.121 70.024 68.868 0.058 0.000 0.968 280 T HN -0.088 nan 8.240 nan 0.000 0.521 281 P HA 0.225 nan 4.420 nan 0.000 0.272 281 P C -0.539 176.546 177.300 -0.359 0.000 1.248 281 P CA -0.594 62.340 63.100 -0.277 0.000 0.799 281 P CB 0.383 31.845 31.700 -0.397 0.000 0.997 282 L N 0.596 121.505 121.223 -0.524 0.000 2.295 282 L HA 0.415 4.755 4.340 0.000 0.000 0.285 282 L C -0.299 176.281 176.870 -0.483 0.000 1.035 282 L CA -0.398 54.137 54.840 -0.508 0.000 0.806 282 L CB 0.228 41.731 42.059 -0.926 0.000 1.214 282 L HN 0.260 nan 8.230 nan 0.000 0.426 283 F N 0.845 120.779 119.950 -0.026 0.000 2.492 283 F HA 0.354 4.881 4.527 0.000 0.000 0.327 283 F C 0.619 176.517 175.800 0.165 0.000 1.079 283 F CA -0.364 57.686 58.000 0.083 0.000 0.967 283 F CB 2.083 41.152 39.000 0.114 0.000 1.169 283 F HN 0.283 nan 8.300 nan 0.000 0.472 284 S N 0.872 116.796 115.700 0.375 0.000 2.525 284 S HA 0.814 5.285 4.470 0.000 0.000 0.278 284 S C 0.054 174.839 174.600 0.308 0.000 1.234 284 S CA 0.167 58.561 58.200 0.325 0.000 1.058 284 S CB 0.673 64.030 63.200 0.261 0.000 0.983 284 S HN 0.948 nan 8.310 nan 0.000 0.495 285 G N 2.233 111.198 108.800 0.275 0.000 2.894 285 G HA2 0.615 4.575 3.960 0.000 0.000 0.164 285 G HA3 0.615 4.575 3.960 0.000 0.000 0.164 285 G C -0.711 174.316 174.900 0.212 0.000 1.180 285 G CA 0.158 45.409 45.100 0.251 0.000 0.997 285 G HN 1.241 nan 8.290 nan 0.000 0.572 286 S N -1.825 114.002 115.700 0.211 0.000 2.697 286 S HA 0.666 5.136 4.470 0.000 0.000 0.289 286 S C 0.961 175.612 174.600 0.085 0.000 1.149 286 S CA 0.775 59.052 58.200 0.128 0.000 0.850 286 S CB 1.321 64.615 63.200 0.157 0.000 1.151 286 S HN 1.814 nan 8.310 nan 0.000 0.491 287 A N -0.178 122.530 122.820 -0.188 0.000 2.206 287 A HA 0.331 4.651 4.320 0.000 0.000 0.211 287 A C -0.228 177.211 177.584 -0.241 0.000 1.158 287 A CA 0.467 52.396 52.037 -0.179 0.000 0.761 287 A CB -0.636 18.112 19.000 -0.420 0.000 0.801 287 A HN 0.666 nan 8.150 nan 0.000 0.473 288 Y N -0.153 120.176 120.300 0.049 0.000 2.334 288 Y HA 0.553 5.103 4.550 0.000 0.000 0.328 288 Y C -0.097 175.766 175.900 -0.062 0.000 1.130 288 Y CA -2.022 55.981 58.100 -0.160 0.000 1.163 288 Y CB 0.503 38.912 38.460 -0.085 0.000 1.207 288 Y HN 0.307 nan 8.280 nan 0.000 0.471 289 F N -1.265 118.696 119.950 0.019 0.000 2.789 289 F HA 0.883 5.410 4.527 0.000 0.000 0.319 289 F C -1.852 173.883 175.800 -0.107 0.000 1.168 289 F CA -1.976 55.969 58.000 -0.092 0.000 0.934 289 F CB 0.836 39.653 39.000 -0.305 0.000 1.375 289 F HN 0.067 nan 8.300 nan 0.000 0.480 290 V N 2.131 122.217 119.914 0.287 0.000 2.524 290 V HA 0.723 4.843 4.120 0.000 0.000 0.297 290 V C -0.821 175.407 176.094 0.224 0.000 1.035 290 V CA -0.463 61.968 62.300 0.220 0.000 0.867 290 V CB 1.153 33.031 31.823 0.092 0.000 1.004 290 V HN 1.116 nan 8.190 nan 0.000 0.426 291 V N 1.090 121.160 119.914 0.260 0.000 3.078 291 V HA 0.893 5.013 4.120 0.000 0.000 0.311 291 V C 0.117 176.208 176.094 -0.006 0.000 1.138 291 V CA -0.527 61.756 62.300 -0.029 0.000 1.007 291 V CB 2.006 33.448 31.823 -0.636 0.000 1.045 291 V HN 0.896 nan 8.190 nan 0.000 0.432 292 T N -0.553 113.831 114.554 -0.284 0.000 2.904 292 T HA 0.341 4.691 4.350 0.000 0.000 0.290 292 T C 0.961 175.575 174.700 -0.142 0.000 1.018 292 T CA 0.261 62.047 62.100 -0.523 0.000 1.075 292 T CB 1.097 69.638 68.868 -0.545 0.000 0.986 292 T HN 1.000 nan 8.240 nan 0.000 0.523 293 R N 0.407 120.730 120.500 -0.295 0.000 2.211 293 R HA -0.152 4.188 4.340 0.000 0.000 0.240 293 R C 1.479 177.718 176.300 -0.102 0.000 1.144 293 R CA 1.709 57.514 56.100 -0.492 0.000 0.992 293 R CB -0.182 29.394 30.300 -1.207 0.000 0.869 293 R HN 0.786 nan 8.270 nan 0.000 0.462 294 E N -1.187 118.956 120.200 -0.094 0.000 2.170 294 E HA -0.126 4.224 4.350 0.000 0.000 0.191 294 E C 1.279 177.911 176.600 0.054 0.000 0.981 294 E CA 0.874 57.271 56.400 -0.005 0.000 0.830 294 E CB -0.320 29.343 29.700 -0.063 0.000 0.775 294 E HN 0.424 nan 8.360 nan 0.000 0.470 295 Y N 0.686 120.936 120.300 -0.083 0.000 2.145 295 Y HA -0.239 4.311 4.550 0.000 0.000 0.286 295 Y C 2.005 177.902 175.900 -0.005 0.000 1.145 295 Y CA 1.275 59.329 58.100 -0.077 0.000 1.148 295 Y CB -0.189 38.191 38.460 -0.134 0.000 0.981 295 Y HN -0.133 nan 8.280 nan 0.000 0.507 296 V N 0.258 120.330 119.914 0.262 0.000 2.295 296 V HA -0.298 3.822 4.120 0.000 0.000 0.246 296 V C 2.598 178.632 176.094 -0.099 0.000 1.049 296 V CA 2.032 64.442 62.300 0.182 0.000 1.024 296 V CB -1.523 30.549 31.823 0.415 0.000 0.648 296 V HN 0.668 nan 8.190 nan 0.000 0.447 297 G N -1.710 106.998 108.800 -0.154 0.000 2.446 297 G HA2 -0.349 3.611 3.960 0.000 0.000 0.217 297 G HA3 -0.349 3.611 3.960 0.000 0.000 0.217 297 G C 1.572 176.332 174.900 -0.234 0.000 1.168 297 G CA 1.209 46.008 45.100 -0.503 0.000 0.771 297 G HN 0.551 nan 8.290 nan 0.000 0.551 298 Y N 1.701 121.867 120.300 -0.224 0.000 2.181 298 Y HA -0.185 4.365 4.550 0.000 0.000 0.288 298 Y C 2.928 178.695 175.900 -0.221 0.000 1.146 298 Y CA 2.090 60.065 58.100 -0.208 0.000 1.164 298 Y CB -0.207 38.126 38.460 -0.213 0.000 0.982 298 Y HN 0.123 nan 8.280 nan 0.000 0.515 299 V N -1.743 118.128 119.914 -0.072 0.000 2.759 299 V HA -0.203 3.917 4.120 0.000 0.000 0.256 299 V C 1.938 177.979 176.094 -0.088 0.000 1.080 299 V CA 1.746 63.996 62.300 -0.084 0.000 1.101 299 V CB -0.879 30.922 31.823 -0.036 0.000 0.698 299 V HN 0.450 nan 8.190 nan 0.000 0.477 300 L N -0.143 120.994 121.223 -0.143 0.000 2.209 300 L HA 0.096 4.436 4.340 0.000 0.000 0.207 300 L C 2.650 179.429 176.870 -0.151 0.000 1.094 300 L CA 1.441 56.200 54.840 -0.136 0.000 0.790 300 L CB -0.287 41.640 42.059 -0.221 0.000 0.932 300 L HN 0.364 nan 8.230 nan 0.000 0.447 301 E N -1.105 118.969 120.200 -0.209 0.000 2.389 301 E HA 0.015 4.365 4.350 0.000 0.000 0.199 301 E C 0.597 177.047 176.600 -0.251 0.000 0.978 301 E CA -0.302 55.980 56.400 -0.198 0.000 0.912 301 E CB 0.310 29.900 29.700 -0.184 0.000 0.907 301 E HN 0.245 nan 8.360 nan 0.000 0.494 302 N N 2.100 120.569 118.700 -0.385 0.000 2.468 302 N HA -0.073 4.668 4.740 0.000 0.000 0.265 302 N C 0.718 176.068 175.510 -0.266 0.000 1.199 302 N CA 0.324 53.089 53.050 -0.475 0.000 0.928 302 N CB 0.949 38.893 38.487 -0.905 0.000 1.059 302 N HN 0.063 nan 8.380 nan 0.000 0.467 303 E N 3.755 123.830 120.200 -0.207 0.000 2.012 303 E HA -0.212 4.139 4.350 0.000 0.000 0.197 303 E C 1.225 177.761 176.600 -0.107 0.000 1.007 303 E CA 1.229 57.552 56.400 -0.129 0.000 0.816 303 E CB -0.231 29.407 29.700 -0.104 0.000 0.762 303 E HN 0.682 nan 8.360 nan 0.000 0.451 304 N N 0.866 119.501 118.700 -0.108 0.000 2.037 304 N HA -0.204 4.536 4.740 0.000 0.000 0.196 304 N C 2.206 177.676 175.510 -0.067 0.000 1.034 304 N CA 1.258 54.261 53.050 -0.079 0.000 0.861 304 N CB -0.426 38.023 38.487 -0.063 0.000 1.039 304 N HN 0.173 nan 8.380 nan 0.000 0.427 305 I N 1.602 122.127 120.570 -0.074 0.000 2.248 305 I HA -0.284 3.886 4.170 0.000 0.000 0.248 305 I C 2.415 178.515 176.117 -0.028 0.000 1.107 305 I CA 1.068 62.343 61.300 -0.041 0.000 1.373 305 I CB -0.203 37.767 38.000 -0.050 0.000 1.055 305 I HN 0.146 nan 8.210 nan 0.000 0.418 306 Q N 0.949 120.721 119.800 -0.047 0.000 2.030 306 Q HA -0.206 4.134 4.340 0.000 0.000 0.204 306 Q C 2.139 178.124 176.000 -0.025 0.000 0.986 306 Q CA 1.462 57.248 55.803 -0.029 0.000 0.843 306 Q CB -0.609 28.105 28.738 -0.041 0.000 0.904 306 Q HN 0.402 nan 8.270 nan 0.000 0.420 307 K N 0.606 120.987 120.400 -0.031 0.000 2.211 307 K HA -0.121 4.199 4.320 0.000 0.000 0.204 307 K C 2.102 178.711 176.600 0.015 0.000 1.047 307 K CA 0.595 56.871 56.287 -0.018 0.000 0.935 307 K CB -0.557 31.919 32.500 -0.040 0.000 0.728 307 K HN 0.181 nan 8.250 nan 0.000 0.452 308 L N 0.508 121.732 121.223 0.002 0.000 2.095 308 L HA 0.028 4.368 4.340 0.000 0.000 0.204 308 L C 2.173 179.132 176.870 0.148 0.000 1.080 308 L CA 1.300 56.169 54.840 0.049 0.000 0.759 308 L CB -0.271 41.789 42.059 0.002 0.000 0.914 308 L HN 0.046 nan 8.230 nan 0.000 0.439 309 M N -0.262 119.362 119.600 0.039 0.000 2.077 309 M HA -0.183 4.297 4.480 0.000 0.000 0.261 309 M C 2.112 178.156 176.300 -0.426 0.000 1.070 309 M CA 2.164 57.415 55.300 -0.081 0.000 1.125 309 M CB -0.681 31.962 32.600 0.072 0.000 1.339 309 M HN 0.415 nan 8.290 nan 0.000 0.409 310 E N -0.294 119.743 120.200 -0.271 0.000 2.160 310 E HA -0.262 4.088 4.350 0.000 0.000 0.195 310 E C 1.866 178.324 176.600 -0.236 0.000 0.991 310 E CA 1.475 57.677 56.400 -0.330 0.000 0.810 310 E CB -0.780 28.827 29.700 -0.156 0.000 0.742 310 E HN 0.702 nan 8.360 nan 0.000 0.466 311 W N 1.772 122.935 121.300 -0.228 0.000 2.465 311 W HA 0.090 4.750 4.660 0.000 0.000 0.268 311 W C 1.920 178.375 176.519 -0.107 0.000 1.242 311 W CA 1.534 58.799 57.345 -0.134 0.000 1.248 311 W CB 0.096 29.508 29.460 -0.081 0.000 1.118 311 W HN 0.142 nan 8.180 nan 0.000 0.587 312 A N -0.260 122.429 122.820 -0.219 0.000 2.308 312 A HA 0.026 4.347 4.320 0.000 0.000 0.217 312 A C 1.731 179.107 177.584 -0.347 0.000 1.216 312 A CA 0.296 52.177 52.037 -0.259 0.000 0.864 312 A CB -0.349 18.777 19.000 0.210 0.000 0.902 312 A HN 0.471 nan 8.150 nan 0.000 0.499 313 Q N 0.819 120.221 119.800 -0.663 0.000 2.297 313 Q HA -0.161 4.180 4.340 0.000 0.000 0.208 313 Q C 0.154 176.036 176.000 -0.197 0.000 0.981 313 Q CA 1.304 56.703 55.803 -0.673 0.000 0.876 313 Q CB -0.147 28.077 28.738 -0.856 0.000 0.921 313 Q HN 0.859 nan 8.270 nan 0.000 0.446 314 D N 0.228 120.516 120.400 -0.187 0.000 2.615 314 D HA 0.015 4.655 4.640 0.000 0.000 0.236 314 D C 0.037 176.376 176.300 0.066 0.000 1.233 314 D CA -0.044 53.932 54.000 -0.041 0.000 0.829 314 D CB 0.061 40.822 40.800 -0.065 0.000 1.024 314 D HN 0.005 nan 8.370 nan 0.000 0.490 315 T N -2.973 111.602 114.554 0.034 0.000 2.948 315 T HA 0.390 4.740 4.350 0.000 0.000 0.285 315 T C -0.607 174.032 174.700 -0.102 0.000 1.019 315 T CA -0.925 61.224 62.100 0.082 0.000 1.013 315 T CB 1.793 70.795 68.868 0.224 0.000 1.117 315 T HN 0.072 nan 8.240 nan 0.000 0.533 316 Y N 0.938 120.910 120.300 -0.546 0.000 2.383 316 Y HA 0.391 4.941 4.550 0.000 0.000 0.344 316 Y C 0.630 176.383 175.900 -0.246 0.000 0.986 316 Y CA 0.077 57.803 58.100 -0.623 0.000 1.175 316 Y CB 0.186 37.979 38.460 -1.111 0.000 1.152 316 Y HN 1.025 nan 8.280 nan 0.000 0.511 317 S N 5.618 120.950 115.700 -0.614 0.000 3.749 317 S HA -0.139 4.331 4.470 0.000 0.000 0.348 317 S C -1.527 172.843 174.600 -0.383 0.000 1.045 317 S CA 0.557 58.481 58.200 -0.460 0.000 1.051 317 S CB -1.053 61.985 63.200 -0.271 0.000 0.898 317 S HN 0.843 nan 8.310 nan 0.000 0.472 318 P HA -0.198 nan 4.420 nan 0.000 0.219 318 P C 1.140 177.886 177.300 -0.923 0.000 1.144 318 P CA 1.922 64.529 63.100 -0.822 0.000 0.806 318 P CB -0.197 31.389 31.700 -0.190 0.000 0.771 319 D N 0.069 120.146 120.400 -0.538 0.000 2.348 319 D HA -0.149 4.491 4.640 0.000 0.000 0.216 319 D C 1.082 177.255 176.300 -0.212 0.000 0.970 319 D CA 0.741 54.516 54.000 -0.375 0.000 0.889 319 D CB -0.862 39.818 40.800 -0.200 0.000 0.912 319 D HN 0.278 nan 8.370 nan 0.000 0.524 320 E N -0.805 119.253 120.200 -0.236 0.000 2.423 320 E HA 0.164 4.514 4.350 0.000 0.000 0.198 320 E C -0.092 176.597 176.600 0.147 0.000 1.038 320 E CA -0.253 56.146 56.400 -0.001 0.000 1.011 320 E CB 0.000 29.735 29.700 0.058 0.000 1.118 320 E HN 0.492 nan 8.360 nan 0.000 0.451 321 F N -3.461 116.542 119.950 0.090 0.000 2.764 321 F HA 0.150 4.677 4.527 0.000 0.000 0.393 321 F C 1.053 176.883 175.800 0.049 0.000 0.854 321 F CA -0.455 57.599 58.000 0.090 0.000 1.003 321 F CB -0.206 38.824 39.000 0.050 0.000 1.085 321 F HN -0.064 nan 8.300 nan 0.000 0.592 322 L N 0.883 122.014 121.223 -0.153 0.000 1.943 322 L HA -0.148 4.192 4.340 0.000 0.000 0.215 322 L C 2.054 178.906 176.870 -0.031 0.000 1.074 322 L CA 2.973 57.727 54.840 -0.143 0.000 0.759 322 L CB -0.962 40.719 42.059 -0.630 0.000 0.888 322 L HN 0.436 nan 8.230 nan 0.000 0.433 323 W N 0.018 121.383 121.300 0.108 0.000 2.342 323 W HA -0.173 4.487 4.660 0.000 0.000 0.297 323 W C 2.663 179.259 176.519 0.128 0.000 1.213 323 W CA 0.768 58.180 57.345 0.113 0.000 1.251 323 W CB -0.613 28.885 29.460 0.063 0.000 1.136 323 W HN 0.326 nan 8.180 nan 0.000 0.526 324 A N 0.009 123.050 122.820 0.368 0.000 1.972 324 A HA -0.179 4.141 4.320 0.000 0.000 0.219 324 A C 1.871 179.606 177.584 0.252 0.000 1.169 324 A CA 2.290 54.499 52.037 0.287 0.000 0.635 324 A CB -1.083 18.114 19.000 0.329 0.000 0.810 324 A HN 0.258 nan 8.150 nan 0.000 0.446 325 T N -0.122 114.619 114.554 0.311 0.000 2.894 325 T HA 0.066 4.416 4.350 0.000 0.000 0.258 325 T C 1.762 176.581 174.700 0.198 0.000 1.043 325 T CA 1.110 63.401 62.100 0.319 0.000 1.141 325 T CB -0.295 68.732 68.868 0.266 0.000 0.873 325 T HN 0.409 nan 8.240 nan 0.000 0.449 326 I N 1.543 122.229 120.570 0.194 0.000 2.454 326 I HA -0.171 3.999 4.170 0.000 0.000 0.254 326 I C 2.611 178.806 176.117 0.130 0.000 1.156 326 I CA 1.111 62.498 61.300 0.145 0.000 1.433 326 I CB -0.325 37.776 38.000 0.167 0.000 1.082 326 I HN 0.235 nan 8.210 nan 0.000 0.432 327 Q N 1.220 121.120 119.800 0.166 0.000 2.436 327 Q HA -0.107 4.233 4.340 0.000 0.000 0.209 327 Q C 1.544 177.460 176.000 -0.139 0.000 0.965 327 Q CA 1.248 57.063 55.803 0.019 0.000 0.910 327 Q CB 0.114 28.799 28.738 -0.089 0.000 0.980 327 Q HN 0.230 nan 8.270 nan 0.000 0.491 328 R N -0.237 120.206 120.500 -0.094 0.000 2.468 328 R HA 0.335 4.675 4.340 0.000 0.000 0.280 328 R C -0.359 175.926 176.300 -0.026 0.000 0.963 328 R CA -0.105 55.916 56.100 -0.131 0.000 1.083 328 R CB 0.221 30.313 30.300 -0.347 0.000 1.200 328 R HN 0.252 nan 8.270 nan 0.000 0.541 329 I N 3.090 123.644 120.570 -0.026 0.000 2.331 329 I HA 0.214 4.384 4.170 0.000 0.000 0.292 329 I C -2.130 173.946 176.117 -0.069 0.000 0.998 329 I CA -2.263 59.025 61.300 -0.019 0.000 1.267 329 I CB 1.496 39.498 38.000 0.004 0.000 1.386 329 I HN -0.325 nan 8.210 nan 0.000 0.476 330 P HA 0.034 nan 4.420 nan 0.000 0.265 330 P C -0.079 177.176 177.300 -0.075 0.000 1.193 330 P CA 0.569 63.634 63.100 -0.059 0.000 0.765 330 P CB 0.531 32.215 31.700 -0.028 0.000 0.823 331 E N -0.075 120.051 120.200 -0.123 0.000 4.233 331 E HA -0.117 4.233 4.350 0.000 0.000 0.400 331 E C -0.405 175.883 176.600 -0.521 0.000 0.563 331 E CA 0.685 56.989 56.400 -0.160 0.000 1.422 331 E CB -1.807 27.904 29.700 0.019 0.000 1.876 331 E HN 0.197 nan 8.360 nan 0.000 0.364 332 V N 2.343 121.902 119.914 -0.591 0.000 2.455 332 V HA 0.230 4.350 4.120 0.000 0.000 0.273 332 V C -2.072 173.715 176.094 -0.511 0.000 1.045 332 V CA -1.099 60.652 62.300 -0.915 0.000 0.976 332 V CB 0.876 32.380 31.823 -0.531 0.000 0.993 332 V HN -0.028 nan 8.190 nan 0.000 0.475 333 P HA 0.109 nan 4.420 nan 0.000 0.253 333 P C 0.872 178.109 177.300 -0.105 0.000 1.170 333 P CA 1.431 64.402 63.100 -0.214 0.000 0.806 333 P CB 0.075 31.683 31.700 -0.153 0.000 0.775 334 G N 2.131 110.872 108.800 -0.097 0.000 2.132 334 G HA2 -0.220 3.740 3.960 0.000 0.000 0.228 334 G HA3 -0.220 3.740 3.960 0.000 0.000 0.228 334 G C 0.414 175.199 174.900 -0.192 0.000 1.000 334 G CA 0.158 45.211 45.100 -0.078 0.000 0.693 334 G HN 0.641 nan 8.290 nan 0.000 0.515 335 S N -0.733 114.847 115.700 -0.201 0.000 2.652 335 S HA 0.835 5.305 4.470 0.000 0.000 0.267 335 S C 0.022 174.486 174.600 -0.227 0.000 1.201 335 S CA -0.553 57.457 58.200 -0.318 0.000 0.996 335 S CB 1.260 64.340 63.200 -0.200 0.000 1.054 335 S HN 0.476 nan 8.310 nan 0.000 0.561 336 F N -0.070 119.793 119.950 -0.146 0.000 2.563 336 F HA 0.491 5.019 4.527 0.000 0.000 0.316 336 F C -2.520 173.054 175.800 -0.378 0.000 1.076 336 F CA -2.918 54.921 58.000 -0.269 0.000 0.921 336 F CB 1.838 40.735 39.000 -0.171 0.000 1.209 336 F HN 0.273 nan 8.300 nan 0.000 0.462 337 P HA -0.093 nan 4.420 nan 0.000 0.266 337 P C 0.526 177.741 177.300 -0.140 0.000 1.186 337 P CA 0.502 63.378 63.100 -0.375 0.000 0.767 337 P CB 0.843 32.126 31.700 -0.696 0.000 0.820 338 S N 1.944 117.639 115.700 -0.008 0.000 2.442 338 S HA -0.103 4.367 4.470 0.000 0.000 0.236 338 S C 1.087 175.825 174.600 0.230 0.000 1.007 338 S CA 0.764 59.045 58.200 0.134 0.000 0.965 338 S CB -0.508 62.798 63.200 0.177 0.000 0.773 338 S HN 0.529 nan 8.310 nan 0.000 0.504 339 S N 1.037 116.851 115.700 0.190 0.000 2.558 339 S HA 0.076 4.546 4.470 0.000 0.000 0.293 339 S C 0.851 175.636 174.600 0.308 0.000 1.292 339 S CA -0.044 58.309 58.200 0.255 0.000 1.063 339 S CB -0.204 63.173 63.200 0.294 0.000 0.831 339 S HN 0.679 nan 8.310 nan 0.000 0.499 340 N N 2.914 121.766 118.700 0.252 0.000 2.573 340 N HA -0.033 4.707 4.740 0.000 0.000 0.187 340 N C 1.368 176.967 175.510 0.149 0.000 1.107 340 N CA 0.356 53.544 53.050 0.230 0.000 0.918 340 N CB 0.027 38.631 38.487 0.195 0.000 0.966 340 N HN 0.587 nan 8.380 nan 0.000 0.448 341 K N -0.072 120.395 120.400 0.111 0.000 2.362 341 K HA -0.099 4.221 4.320 0.000 0.000 0.200 341 K C 0.205 176.676 176.600 -0.215 0.000 1.046 341 K CA 0.880 57.117 56.287 -0.083 0.000 0.952 341 K CB 0.115 32.496 32.500 -0.197 0.000 0.753 341 K HN 0.334 nan 8.250 nan 0.000 0.466 342 Y N 0.770 121.049 120.300 -0.036 0.000 2.571 342 Y HA 0.137 4.687 4.550 0.000 0.000 0.275 342 Y C -0.267 175.587 175.900 -0.077 0.000 1.179 342 Y CA -0.895 57.125 58.100 -0.133 0.000 1.242 342 Y CB 0.059 38.419 38.460 -0.167 0.000 1.126 342 Y HN -0.139 nan 8.280 nan 0.000 0.524 343 D N 1.283 121.755 120.400 0.121 0.000 2.425 343 D HA 0.156 4.796 4.640 0.000 0.000 0.247 343 D C -0.320 176.052 176.300 0.119 0.000 1.147 343 D CA 0.481 54.564 54.000 0.137 0.000 0.879 343 D CB 0.976 41.875 40.800 0.166 0.000 1.179 343 D HN 0.160 nan 8.370 nan 0.000 0.456 344 L N 2.353 123.677 121.223 0.168 0.000 2.287 344 L HA 0.233 4.573 4.340 0.000 0.000 0.287 344 L C 0.797 177.785 176.870 0.198 0.000 1.022 344 L CA -0.618 54.330 54.840 0.180 0.000 0.814 344 L CB 1.347 43.552 42.059 0.243 0.000 1.217 344 L HN 0.400 nan 8.230 nan 0.000 0.420 345 S N 0.141 115.950 115.700 0.183 0.000 2.655 345 S HA 0.100 4.570 4.470 0.000 0.000 0.265 345 S C 0.822 175.575 174.600 0.256 0.000 1.240 345 S CA -0.348 57.967 58.200 0.192 0.000 0.986 345 S CB 1.115 64.405 63.200 0.149 0.000 0.985 345 S HN 0.707 nan 8.310 nan 0.000 0.562 346 D N 0.577 121.141 120.400 0.273 0.000 2.178 346 D HA -0.156 4.484 4.640 0.000 0.000 0.201 346 D C 1.590 178.185 176.300 0.492 0.000 0.980 346 D CA 1.152 55.366 54.000 0.356 0.000 0.842 346 D CB -0.386 40.621 40.800 0.345 0.000 0.948 346 D HN 0.361 nan 8.370 nan 0.000 0.472 347 M N 0.311 120.178 119.600 0.445 0.000 2.288 347 M HA 0.041 4.522 4.480 0.000 0.000 0.266 347 M C 1.445 178.016 176.300 0.452 0.000 1.072 347 M CA 0.670 56.300 55.300 0.551 0.000 1.132 347 M CB -0.842 31.995 32.600 0.394 0.000 1.386 347 M HN 0.054 nan 8.290 nan 0.000 0.432 348 N N 0.647 119.539 118.700 0.321 0.000 2.300 348 N HA 0.061 4.801 4.740 0.000 0.000 0.179 348 N C 0.766 176.471 175.510 0.325 0.000 1.016 348 N CA 0.536 53.747 53.050 0.268 0.000 0.876 348 N CB 0.063 38.650 38.487 0.167 0.000 0.979 348 N HN 0.249 nan 8.380 nan 0.000 0.432 349 A N 0.950 123.956 122.820 0.310 0.000 2.280 349 A HA 0.402 4.722 4.320 0.000 0.000 0.268 349 A C 1.272 178.920 177.584 0.107 0.000 1.111 349 A CA -0.243 51.933 52.037 0.231 0.000 0.814 349 A CB 0.135 19.299 19.000 0.273 0.000 1.093 349 A HN 0.283 nan 8.150 nan 0.000 0.498 350 I N -3.869 116.687 120.570 -0.023 0.000 4.240 350 I HA 0.394 4.564 4.170 0.000 0.000 0.331 350 I C 1.441 177.667 176.117 0.182 0.000 1.381 350 I CA 0.605 61.770 61.300 -0.224 0.000 1.136 350 I CB 0.131 37.882 38.000 -0.416 0.000 1.137 350 I HN 0.431 nan 8.210 nan 0.000 0.411 351 A N 1.937 124.914 122.820 0.262 0.000 1.845 351 A HA 0.016 4.336 4.320 0.000 0.000 0.215 351 A C 1.365 179.140 177.584 0.318 0.000 1.195 351 A CA 1.419 53.608 52.037 0.254 0.000 0.616 351 A CB -0.175 18.964 19.000 0.232 0.000 0.832 351 A HN 0.498 nan 8.150 nan 0.000 0.443 352 R N -2.299 118.425 120.500 0.373 0.000 2.522 352 R HA 0.461 4.801 4.340 0.000 0.000 0.283 352 R C -1.639 174.693 176.300 0.052 0.000 1.074 352 R CA -0.708 55.547 56.100 0.259 0.000 0.925 352 R CB 0.678 31.117 30.300 0.231 0.000 1.205 352 R HN 0.246 nan 8.270 nan 0.000 0.436 353 F N 5.340 125.157 119.950 -0.221 0.000 2.438 353 F HA 0.639 5.166 4.527 0.000 0.000 0.356 353 F C -0.993 174.800 175.800 -0.012 0.000 1.099 353 F CA -0.132 57.626 58.000 -0.403 0.000 1.185 353 F CB 0.792 39.646 39.000 -0.243 0.000 1.115 353 F HN 0.205 nan 8.300 nan 0.000 0.526 354 V N 6.216 125.670 119.914 -0.766 0.000 2.817 354 V HA 0.287 4.407 4.120 0.000 0.000 0.303 354 V C -0.941 174.661 176.094 -0.820 0.000 1.151 354 V CA -1.269 60.667 62.300 -0.607 0.000 0.929 354 V CB 2.221 33.902 31.823 -0.236 0.000 1.030 354 V HN 0.635 nan 8.190 nan 0.000 0.427 355 K N 3.265 123.101 120.400 -0.941 0.000 2.159 355 K HA 0.538 4.858 4.320 0.000 0.000 0.266 355 K C -1.533 174.720 176.600 -0.577 0.000 0.975 355 K CA -0.427 55.274 56.287 -0.976 0.000 0.865 355 K CB 1.866 33.858 32.500 -0.846 0.000 1.087 355 K HN 0.541 nan 8.250 nan 0.000 0.446 356 W N 1.903 123.172 121.300 -0.051 0.000 2.478 356 W HA 0.219 4.879 4.660 0.000 0.000 0.318 356 W C 1.483 177.766 176.519 -0.392 0.000 1.062 356 W CA -0.479 56.679 57.345 -0.311 0.000 1.210 356 W CB 1.210 30.359 29.460 -0.519 0.000 1.325 356 W HN 0.699 nan 8.180 nan 0.000 0.496 357 Q N 1.808 121.354 119.800 -0.424 0.000 2.133 357 Q HA -0.299 4.041 4.340 0.000 0.000 0.208 357 Q C 1.390 177.239 176.000 -0.251 0.000 0.991 357 Q CA 2.415 57.924 55.803 -0.491 0.000 0.867 357 Q CB -0.256 28.035 28.738 -0.745 0.000 0.911 357 Q HN 0.735 nan 8.270 nan 0.000 0.417 358 Y N -3.171 117.067 120.300 -0.103 0.000 2.502 358 Y HA 0.157 4.707 4.550 0.000 0.000 0.295 358 Y C 0.607 176.386 175.900 -0.200 0.000 1.193 358 Y CA -0.237 57.745 58.100 -0.197 0.000 1.295 358 Y CB -0.162 38.105 38.460 -0.321 0.000 1.059 358 Y HN 0.043 nan 8.280 nan 0.000 0.514 359 F N 0.355 120.382 119.950 0.127 0.000 2.711 359 F HA 0.251 4.779 4.527 0.000 0.000 0.296 359 F C 1.003 176.788 175.800 -0.026 0.000 1.096 359 F CA -1.276 56.774 58.000 0.083 0.000 1.280 359 F CB -0.299 38.739 39.000 0.063 0.000 1.060 359 F HN -0.042 nan 8.300 nan 0.000 0.608 360 E N 0.099 120.475 120.200 0.294 0.000 2.438 360 E HA 0.391 4.741 4.350 0.000 0.000 0.261 360 E C 0.733 177.398 176.600 0.108 0.000 1.103 360 E CA 0.863 57.406 56.400 0.237 0.000 0.959 360 E CB 0.232 30.087 29.700 0.259 0.000 0.958 360 E HN 0.306 nan 8.360 nan 0.000 0.447 361 G N 1.166 110.004 108.800 0.063 0.000 2.403 361 G HA2 -0.110 3.850 3.960 0.000 0.000 0.223 361 G HA3 -0.110 3.850 3.960 0.000 0.000 0.223 361 G C -1.474 173.429 174.900 0.005 0.000 1.287 361 G CA -0.706 44.415 45.100 0.036 0.000 0.982 361 G HN 0.553 nan 8.290 nan 0.000 0.471 362 D N 1.100 121.508 120.400 0.012 0.000 2.383 362 D HA 0.308 4.948 4.640 0.000 0.000 0.245 362 D C 1.833 178.140 176.300 0.011 0.000 1.263 362 D CA 0.060 54.067 54.000 0.011 0.000 0.936 362 D CB 1.143 41.956 40.800 0.021 0.000 1.053 362 D HN 0.154 nan 8.370 nan 0.000 0.507 363 V N 3.416 123.334 119.914 0.006 0.000 2.469 363 V HA -0.229 3.891 4.120 0.000 0.000 0.251 363 V C 2.008 178.143 176.094 0.068 0.000 1.064 363 V CA 2.138 64.463 62.300 0.042 0.000 1.066 363 V CB -0.475 31.407 31.823 0.098 0.000 0.667 363 V HN 0.695 nan 8.190 nan 0.000 0.461 364 S N -0.439 115.297 115.700 0.060 0.000 2.767 364 S HA 0.158 4.628 4.470 0.000 0.000 0.253 364 S C 0.531 175.155 174.600 0.040 0.000 1.082 364 S CA 0.284 58.517 58.200 0.056 0.000 1.148 364 S CB -0.540 62.693 63.200 0.054 0.000 0.808 364 S HN 0.605 nan 8.310 nan 0.000 0.466 365 N N -0.588 118.133 118.700 0.035 0.000 2.278 365 N HA 0.256 4.996 4.740 0.000 0.000 0.239 365 N C 0.647 176.173 175.510 0.025 0.000 1.411 365 N CA 0.630 53.697 53.050 0.029 0.000 0.908 365 N CB 0.447 38.950 38.487 0.027 0.000 1.307 365 N HN 0.460 nan 8.380 nan 0.000 0.522 366 G N -0.461 108.353 108.800 0.023 0.000 2.232 366 G HA2 -0.118 3.842 3.960 0.000 0.000 0.226 366 G HA3 -0.118 3.842 3.960 0.000 0.000 0.226 366 G C 0.313 175.207 174.900 -0.009 0.000 0.996 366 G CA -0.039 45.069 45.100 0.013 0.000 0.626 366 G HN 0.690 nan 8.290 nan 0.000 0.509 367 A N 1.131 123.941 122.820 -0.016 0.000 2.450 367 A HA 0.678 4.999 4.320 0.000 0.000 0.255 367 A C -0.244 177.251 177.584 -0.148 0.000 1.096 367 A CA -0.167 51.824 52.037 -0.077 0.000 0.778 367 A CB 0.588 19.556 19.000 -0.053 0.000 1.031 367 A HN 0.108 nan 8.150 nan 0.000 0.494 368 P HA -0.068 nan 4.420 nan 0.000 0.218 368 P C -0.407 176.805 177.300 -0.145 0.000 1.148 368 P CA 1.653 64.539 63.100 -0.356 0.000 0.822 368 P CB -0.150 31.082 31.700 -0.780 0.000 0.784 369 Y N -5.866 114.440 120.300 0.010 0.000 2.725 369 Y HA 0.657 5.207 4.550 0.000 0.000 0.333 369 Y C -3.097 172.566 175.900 -0.394 0.000 1.242 369 Y CA -3.171 54.675 58.100 -0.423 0.000 1.059 369 Y CB -0.088 38.196 38.460 -0.293 0.000 1.306 369 Y HN -0.377 nan 8.280 nan 0.000 0.454 370 P HA 0.338 nan 4.420 nan 0.000 0.281 370 P C -2.849 174.439 177.300 -0.020 0.000 1.264 370 P CA -2.063 60.911 63.100 -0.209 0.000 0.824 370 P CB 1.258 32.749 31.700 -0.348 0.000 1.092 371 P HA -0.081 nan 4.420 nan 0.000 0.264 371 P C 0.231 177.574 177.300 0.070 0.000 1.179 371 P CA 0.167 63.312 63.100 0.075 0.000 0.763 371 P CB -0.045 31.688 31.700 0.055 0.000 0.806 372 C N 3.235 122.598 119.300 0.104 0.000 2.653 372 C HA 0.103 4.563 4.460 0.000 0.000 0.421 372 C C 1.741 176.719 174.990 -0.019 0.000 1.334 372 C CA 0.528 59.566 59.018 0.033 0.000 1.885 372 C CB -0.989 26.718 27.740 -0.055 0.000 2.645 372 C HN 0.599 nan 8.230 nan 0.000 0.601 373 S N 3.307 119.011 115.700 0.008 0.000 2.503 373 S HA 0.188 4.658 4.470 0.000 0.000 0.217 373 S C 1.323 175.904 174.600 -0.033 0.000 0.999 373 S CA 0.580 58.783 58.200 0.004 0.000 0.914 373 S CB 0.218 63.447 63.200 0.048 0.000 0.782 373 S HN 1.044 nan 8.310 nan 0.000 0.520 374 G N 1.680 110.431 108.800 -0.082 0.000 3.372 374 G HA2 0.525 4.485 3.960 0.000 0.000 0.178 374 G HA3 0.525 4.485 3.960 0.000 0.000 0.178 374 G C 0.101 174.867 174.900 -0.224 0.000 1.817 374 G CA 0.391 45.422 45.100 -0.114 0.000 0.996 374 G HN 0.443 nan 8.290 nan 0.000 0.559 375 V N -4.161 115.571 119.914 -0.302 0.000 3.156 375 V HA 0.699 4.819 4.120 0.000 0.000 0.311 375 V C -1.159 174.622 176.094 -0.522 0.000 1.208 375 V CA -1.200 60.890 62.300 -0.351 0.000 1.063 375 V CB 1.875 33.599 31.823 -0.165 0.000 1.098 375 V HN 0.606 nan 8.190 nan 0.000 0.452 376 H N 0.360 119.363 119.070 -0.111 0.000 2.638 376 H HA 0.637 5.194 4.556 0.000 0.000 0.317 376 H C -1.094 174.165 175.328 -0.115 0.000 1.006 376 H CA -0.386 55.578 56.048 -0.140 0.000 1.222 376 H CB 1.684 31.381 29.762 -0.108 0.000 1.419 376 H HN 0.569 nan 8.280 nan 0.000 0.489 377 V N 5.083 124.978 119.914 -0.032 0.000 2.318 377 V HA 0.208 4.328 4.120 0.000 0.000 0.271 377 V C 0.814 176.882 176.094 -0.044 0.000 1.030 377 V CA -0.589 61.686 62.300 -0.042 0.000 0.844 377 V CB 0.535 32.317 31.823 -0.068 0.000 1.015 377 V HN 0.865 nan 8.190 nan 0.000 0.460 378 R N 3.616 124.115 120.500 -0.002 0.000 3.423 378 R HA -0.211 4.129 4.340 0.000 0.000 0.271 378 R C 1.018 177.355 176.300 0.061 0.000 1.093 378 R CA 0.573 56.696 56.100 0.039 0.000 0.730 378 R CB -1.823 28.501 30.300 0.040 0.000 1.190 378 R HN 0.946 nan 8.270 nan 0.000 0.437 379 S N -3.424 112.284 115.700 0.013 0.000 2.524 379 S HA -0.166 4.304 4.470 0.000 0.000 0.254 379 S C 0.451 174.905 174.600 -0.243 0.000 1.258 379 S CA 1.293 59.462 58.200 -0.052 0.000 1.448 379 S CB -0.520 62.794 63.200 0.192 0.000 1.806 379 S HN 0.296 nan 8.310 nan 0.000 0.630 380 V N 2.126 121.847 119.914 -0.321 0.000 2.498 380 V HA 0.358 4.478 4.120 0.000 0.000 0.279 380 V C 1.020 176.907 176.094 -0.345 0.000 1.048 380 V CA -0.479 61.453 62.300 -0.614 0.000 0.967 380 V CB 1.272 32.699 31.823 -0.661 0.000 0.988 380 V HN 0.662 nan 8.190 nan 0.000 0.473 381 C N 6.902 125.945 119.300 -0.428 0.000 2.576 381 C HA 0.504 4.964 4.460 0.000 0.000 0.401 381 C C 0.253 174.768 174.990 -0.791 0.000 1.314 381 C CA -0.363 58.398 59.018 -0.429 0.000 1.855 381 C CB -0.351 27.151 27.740 -0.397 0.000 2.537 381 C HN 0.681 nan 8.230 nan 0.000 0.578 382 V N 8.399 127.956 119.914 -0.595 0.000 2.348 382 V HA 0.294 4.414 4.120 0.000 0.000 0.270 382 V C 0.043 175.861 176.094 -0.461 0.000 1.037 382 V CA -0.249 61.725 62.300 -0.544 0.000 0.872 382 V CB 0.078 31.735 31.823 -0.277 0.000 1.002 382 V HN 0.753 nan 8.190 nan 0.000 0.464 383 F N 3.247 123.033 119.950 -0.272 0.000 2.607 383 F HA 0.445 4.972 4.527 0.000 0.000 0.374 383 F C 1.217 177.002 175.800 -0.025 0.000 1.104 383 F CA 0.422 58.317 58.000 -0.174 0.000 1.296 383 F CB 0.218 39.044 39.000 -0.289 0.000 1.085 383 F HN 0.532 nan 8.300 nan 0.000 0.584 384 G N 0.637 109.567 108.800 0.217 0.000 2.511 384 G HA2 0.528 4.488 3.960 0.000 0.000 0.318 384 G HA3 0.528 4.488 3.960 0.000 0.000 0.318 384 G C 0.523 175.523 174.900 0.166 0.000 1.210 384 G CA -0.433 44.758 45.100 0.151 0.000 0.969 384 G HN 0.852 nan 8.290 nan 0.000 0.484 385 A N 0.224 123.127 122.820 0.139 0.000 1.940 385 A HA -0.067 4.253 4.320 0.000 0.000 0.221 385 A C 2.597 180.229 177.584 0.081 0.000 1.190 385 A CA 2.778 54.880 52.037 0.109 0.000 0.647 385 A CB -1.095 17.944 19.000 0.065 0.000 0.821 385 A HN 1.365 nan 8.150 nan 0.000 0.457 386 G N -0.729 108.112 108.800 0.068 0.000 2.462 386 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 386 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 386 G C 1.000 175.952 174.900 0.087 0.000 1.121 386 G CA 1.370 46.506 45.100 0.060 0.000 0.758 386 G HN 0.622 nan 8.290 nan 0.000 0.559 387 D N -0.095 120.377 120.400 0.120 0.000 2.213 387 D HA 0.059 4.699 4.640 0.000 0.000 0.205 387 D C 2.463 178.818 176.300 0.091 0.000 0.961 387 D CA -0.076 54.009 54.000 0.142 0.000 0.853 387 D CB -0.006 40.945 40.800 0.253 0.000 0.967 387 D HN 0.225 nan 8.370 nan 0.000 0.496 388 L N 0.580 121.842 121.223 0.065 0.000 2.030 388 L HA -0.333 4.007 4.340 0.000 0.000 0.222 388 L C 2.470 179.355 176.870 0.026 0.000 1.082 388 L CA 1.450 56.310 54.840 0.034 0.000 0.785 388 L CB -0.648 41.440 42.059 0.047 0.000 0.895 388 L HN 0.127 nan 8.230 nan 0.000 0.439 389 S N -1.123 114.606 115.700 0.049 0.000 2.359 389 S HA -0.303 4.167 4.470 0.000 0.000 0.222 389 S C 1.673 176.315 174.600 0.071 0.000 1.038 389 S CA 1.983 60.207 58.200 0.041 0.000 1.051 389 S CB -0.567 62.668 63.200 0.059 0.000 0.944 389 S HN 0.515 nan 8.310 nan 0.000 0.433 390 W N 1.573 122.842 121.300 -0.053 0.000 2.358 390 W HA -0.051 4.609 4.660 0.000 0.000 0.303 390 W C 2.549 178.970 176.519 -0.163 0.000 1.208 390 W CA 1.858 59.168 57.345 -0.058 0.000 1.274 390 W CB -0.384 29.082 29.460 0.009 0.000 1.138 390 W HN 0.367 nan 8.180 nan 0.000 0.515 391 M N -0.227 119.411 119.600 0.064 0.000 2.108 391 M HA -0.233 4.247 4.480 0.000 0.000 0.261 391 M C 1.825 177.934 176.300 -0.318 0.000 1.066 391 M CA 1.770 56.885 55.300 -0.309 0.000 1.107 391 M CB -0.577 31.851 32.600 -0.288 0.000 1.356 391 M HN 0.088 nan 8.290 nan 0.000 0.406 392 L N -0.084 121.040 121.223 -0.166 0.000 2.353 392 L HA -0.147 4.193 4.340 0.000 0.000 0.220 392 L C 2.149 178.928 176.870 -0.151 0.000 1.133 392 L CA 0.802 55.577 54.840 -0.109 0.000 0.798 392 L CB -0.382 41.655 42.059 -0.036 0.000 0.922 392 L HN 0.349 nan 8.230 nan 0.000 0.445 393 R N -1.022 119.324 120.500 -0.257 0.000 2.297 393 R HA 0.055 4.395 4.340 0.000 0.000 0.197 393 R C 0.249 176.357 176.300 -0.320 0.000 0.943 393 R CA -0.048 55.880 56.100 -0.287 0.000 1.038 393 R CB 0.101 30.178 30.300 -0.371 0.000 0.957 393 R HN 0.288 nan 8.270 nan 0.000 0.484 394 Q N 0.714 120.310 119.800 -0.339 0.000 2.306 394 Q HA 0.013 4.353 4.340 0.000 0.000 0.241 394 Q C 0.978 176.976 176.000 -0.003 0.000 0.948 394 Q CA 0.289 55.966 55.803 -0.210 0.000 0.886 394 Q CB 0.767 29.378 28.738 -0.213 0.000 1.227 394 Q HN 0.504 nan 8.270 nan 0.000 0.457 395 H N -0.831 118.144 119.070 -0.158 0.000 2.556 395 H HA 0.108 4.664 4.556 0.000 0.000 0.268 395 H C -0.165 175.068 175.328 -0.158 0.000 0.996 395 H CA -0.220 55.724 56.048 -0.173 0.000 1.157 395 H CB 0.222 29.869 29.762 -0.190 0.000 1.355 395 H HN 0.422 nan 8.280 nan 0.000 0.597 396 H N 1.024 120.192 119.070 0.164 0.000 2.757 396 H HA -0.016 4.540 4.556 0.000 0.000 0.370 396 H C 1.371 176.718 175.328 0.032 0.000 1.172 396 H CA 0.314 56.409 56.048 0.078 0.000 1.426 396 H CB 1.897 31.817 29.762 0.264 0.000 1.438 396 H HN 0.290 nan 8.280 nan 0.000 0.612 397 L N 0.509 121.850 121.223 0.197 0.000 2.127 397 L HA 0.033 4.374 4.340 0.000 0.000 0.203 397 L C 0.170 177.008 176.870 -0.054 0.000 1.080 397 L CA 1.188 56.081 54.840 0.088 0.000 0.768 397 L CB 0.032 42.258 42.059 0.278 0.000 0.924 397 L HN 0.265 nan 8.230 nan 0.000 0.444 398 F N -1.178 118.855 119.950 0.138 0.000 2.620 398 F HA 0.693 5.220 4.527 0.000 0.000 0.320 398 F C 0.155 176.091 175.800 0.227 0.000 1.069 398 F CA -0.981 57.105 58.000 0.145 0.000 0.953 398 F CB 1.445 40.482 39.000 0.062 0.000 1.322 398 F HN -0.253 nan 8.300 nan 0.000 0.479 399 A N 1.265 124.406 122.820 0.535 0.000 2.387 399 A HA 0.819 5.139 4.320 0.000 0.000 0.298 399 A C -1.367 176.497 177.584 0.466 0.000 1.165 399 A CA -0.585 51.757 52.037 0.509 0.000 0.814 399 A CB 1.950 21.240 19.000 0.482 0.000 1.357 399 A HN 0.745 nan 8.150 nan 0.000 0.443 400 N N -0.028 118.886 118.700 0.356 0.000 2.647 400 N HA 0.251 4.991 4.740 0.000 0.000 0.259 400 N C -1.712 173.619 175.510 -0.298 0.000 1.098 400 N CA -0.290 52.802 53.050 0.070 0.000 0.984 400 N CB 1.615 40.112 38.487 0.017 0.000 1.683 400 N HN 0.831 nan 8.380 nan 0.000 0.501 401 K N 1.094 121.102 120.400 -0.652 0.000 2.350 401 K HA 0.653 4.973 4.320 0.000 0.000 0.241 401 K C -1.152 175.169 176.600 -0.465 0.000 0.994 401 K CA -0.629 55.452 56.287 -0.344 0.000 0.839 401 K CB 1.647 34.039 32.500 -0.181 0.000 1.244 401 K HN 0.153 nan 8.250 nan 0.000 0.443 402 F N 0.157 120.171 119.950 0.107 0.000 2.522 402 F HA 0.353 4.881 4.527 0.000 0.000 0.324 402 F C -0.441 175.387 175.800 0.046 0.000 1.077 402 F CA -0.550 57.516 58.000 0.110 0.000 0.944 402 F CB 2.038 41.119 39.000 0.135 0.000 1.175 402 F HN 0.542 nan 8.300 nan 0.000 0.468 403 D N 2.663 123.181 120.400 0.197 0.000 2.686 403 D HA 0.211 4.851 4.640 0.000 0.000 0.249 403 D C 0.571 176.913 176.300 0.070 0.000 1.260 403 D CA -0.346 53.716 54.000 0.104 0.000 0.910 403 D CB 1.738 42.563 40.800 0.041 0.000 1.323 403 D HN 0.461 nan 8.370 nan 0.000 0.561 404 M N 1.983 121.609 119.600 0.044 0.000 2.144 404 M HA -0.139 4.341 4.480 0.000 0.000 0.260 404 M C 1.030 177.322 176.300 -0.012 0.000 1.067 404 M CA 1.590 56.888 55.300 -0.003 0.000 1.095 404 M CB 0.021 32.616 32.600 -0.008 0.000 1.365 404 M HN 0.328 nan 8.290 nan 0.000 0.406 405 D N -1.236 119.162 120.400 -0.005 0.000 2.363 405 D HA -0.025 4.615 4.640 0.000 0.000 0.220 405 D C 1.823 178.124 176.300 0.002 0.000 0.994 405 D CA 0.715 54.709 54.000 -0.008 0.000 0.890 405 D CB 0.222 41.014 40.800 -0.014 0.000 0.906 405 D HN 0.261 nan 8.370 nan 0.000 0.530 406 V N -0.209 119.713 119.914 0.014 0.000 2.922 406 V HA 0.054 4.174 4.120 0.000 0.000 0.242 406 V C 0.274 176.396 176.094 0.046 0.000 1.094 406 V CA 0.443 62.753 62.300 0.017 0.000 1.106 406 V CB 0.627 32.450 31.823 -0.001 0.000 0.799 406 V HN -0.009 nan 8.190 nan 0.000 0.474 407 D N -1.462 118.976 120.400 0.063 0.000 2.349 407 D HA 0.162 4.802 4.640 0.000 0.000 0.224 407 D C -2.544 173.792 176.300 0.059 0.000 1.323 407 D CA -0.687 53.379 54.000 0.110 0.000 0.917 407 D CB 1.820 42.710 40.800 0.151 0.000 1.524 407 D HN 0.001 nan 8.370 nan 0.000 0.505 408 P HA 0.043 nan 4.420 nan 0.000 0.221 408 P C 1.458 178.618 177.300 -0.234 0.000 1.150 408 P CA 0.468 63.445 63.100 -0.205 0.000 0.800 408 P CB 0.105 31.598 31.700 -0.344 0.000 0.787 409 F N 0.338 120.269 119.950 -0.032 0.000 2.216 409 F HA -0.129 4.398 4.527 0.000 0.000 0.300 409 F C 2.409 178.185 175.800 -0.040 0.000 1.085 409 F CA 1.322 59.301 58.000 -0.035 0.000 1.326 409 F CB -1.393 37.596 39.000 -0.018 0.000 1.027 409 F HN -0.089 nan 8.300 nan 0.000 0.497 410 A N 0.265 123.182 122.820 0.162 0.000 1.930 410 A HA -0.101 4.219 4.320 0.000 0.000 0.217 410 A C 2.199 179.739 177.584 -0.074 0.000 1.175 410 A CA 1.537 53.650 52.037 0.127 0.000 0.627 410 A CB -0.948 18.213 19.000 0.269 0.000 0.815 410 A HN 0.400 nan 8.150 nan 0.000 0.443 411 I N -1.250 119.188 120.570 -0.220 0.000 2.500 411 I HA -0.163 4.008 4.170 0.000 0.000 0.252 411 I C 2.624 178.458 176.117 -0.472 0.000 1.142 411 I CA 1.163 62.085 61.300 -0.629 0.000 1.451 411 I CB -0.322 37.316 38.000 -0.603 0.000 1.093 411 I HN 0.300 nan 8.210 nan 0.000 0.430 412 Q N 1.111 120.765 119.800 -0.243 0.000 1.993 412 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 412 Q C 2.418 178.373 176.000 -0.075 0.000 0.984 412 Q CA 2.343 58.055 55.803 -0.151 0.000 0.837 412 Q CB -0.514 28.151 28.738 -0.122 0.000 0.902 412 Q HN 0.534 nan 8.270 nan 0.000 0.423 413 C N -0.371 118.917 119.300 -0.020 0.000 2.436 413 C HA -0.081 4.379 4.460 0.000 0.000 0.277 413 C C 2.544 177.549 174.990 0.026 0.000 1.241 413 C CA 0.580 59.609 59.018 0.018 0.000 1.721 413 C CB -1.356 26.404 27.740 0.033 0.000 2.043 413 C HN 0.574 nan 8.230 nan 0.000 0.472 414 L N 1.561 122.772 121.223 -0.020 0.000 2.081 414 L HA -0.183 4.157 4.340 0.000 0.000 0.212 414 L C 2.009 178.931 176.870 0.087 0.000 1.080 414 L CA 2.254 57.112 54.840 0.029 0.000 0.754 414 L CB -0.878 41.117 42.059 -0.106 0.000 0.893 414 L HN 0.341 nan 8.230 nan 0.000 0.433 415 D N -0.887 119.513 120.400 0.001 0.000 2.084 415 D HA -0.223 4.417 4.640 0.000 0.000 0.196 415 D C 2.135 178.469 176.300 0.058 0.000 0.985 415 D CA 1.622 55.684 54.000 0.105 0.000 0.826 415 D CB -0.054 40.752 40.800 0.010 0.000 0.978 415 D HN 0.663 nan 8.370 nan 0.000 0.456 416 E N -0.638 119.583 120.200 0.035 0.000 2.072 416 E HA -0.256 4.094 4.350 0.000 0.000 0.191 416 E C 2.221 178.855 176.600 0.056 0.000 0.985 416 E CA 0.990 57.408 56.400 0.030 0.000 0.801 416 E CB -0.862 28.853 29.700 0.025 0.000 0.750 416 E HN 0.557 nan 8.360 nan 0.000 0.452 417 H N 1.783 120.844 119.070 -0.014 0.000 2.319 417 H HA -0.131 4.425 4.556 0.000 0.000 0.297 417 H C 2.209 177.522 175.328 -0.025 0.000 1.097 417 H CA 1.774 57.811 56.048 -0.019 0.000 1.285 417 H CB -0.008 29.743 29.762 -0.019 0.000 1.368 417 H HN 0.192 nan 8.280 nan 0.000 0.495 418 L N 0.138 121.215 121.223 -0.243 0.000 2.046 418 L HA -0.167 4.174 4.340 0.000 0.000 0.208 418 L C 2.994 179.746 176.870 -0.196 0.000 1.077 418 L CA 1.318 55.972 54.840 -0.311 0.000 0.747 418 L CB -0.355 41.589 42.059 -0.191 0.000 0.896 418 L HN 0.212 nan 8.230 nan 0.000 0.432 419 R N 0.764 121.198 120.500 -0.111 0.000 2.062 419 R HA -0.151 4.189 4.340 0.000 0.000 0.231 419 R C 2.381 178.638 176.300 -0.072 0.000 1.136 419 R CA 1.543 57.592 56.100 -0.085 0.000 0.948 419 R CB -0.561 29.705 30.300 -0.057 0.000 0.845 419 R HN 0.100 nan 8.270 nan 0.000 0.430 420 R N 0.373 120.844 120.500 -0.049 0.000 2.139 420 R HA -0.190 4.150 4.340 0.000 0.000 0.243 420 R C 2.013 178.287 176.300 -0.043 0.000 1.145 420 R CA 2.147 58.233 56.100 -0.025 0.000 0.976 420 R CB -0.194 30.116 30.300 0.017 0.000 0.866 420 R HN 0.253 nan 8.270 nan 0.000 0.449 421 K N -0.592 119.750 120.400 -0.096 0.000 2.167 421 K HA -0.004 4.316 4.320 0.000 0.000 0.203 421 K C 1.867 178.408 176.600 -0.098 0.000 1.052 421 K CA 0.940 57.161 56.287 -0.111 0.000 0.956 421 K CB -0.005 32.360 32.500 -0.225 0.000 0.735 421 K HN 0.206 nan 8.250 nan 0.000 0.451 422 A N 1.457 124.213 122.820 -0.107 0.000 1.873 422 A HA -0.095 4.225 4.320 0.000 0.000 0.215 422 A C 2.014 179.562 177.584 -0.058 0.000 1.186 422 A CA 1.178 53.163 52.037 -0.087 0.000 0.616 422 A CB -0.682 18.263 19.000 -0.092 0.000 0.823 422 A HN 0.311 nan 8.150 nan 0.000 0.442 423 L N -1.158 120.035 121.223 -0.049 0.000 2.261 423 L HA -0.113 4.228 4.340 0.000 0.000 0.216 423 L C 1.065 177.918 176.870 -0.028 0.000 1.114 423 L CA 1.042 55.862 54.840 -0.032 0.000 0.777 423 L CB -0.778 41.266 42.059 -0.026 0.000 0.910 423 L HN 0.721 nan 8.230 nan 0.000 0.440 424 E N 0.000 120.180 120.200 -0.034 0.000 2.725 424 E HA 0.000 4.350 4.350 0.000 0.000 0.291 424 E CA 0.000 56.383 56.400 -0.028 0.000 0.976 424 E CB 0.000 29.684 29.700 -0.026 0.000 0.812 424 E HN 0.000 nan 8.360 nan 0.000 0.440