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 2hty_1_G DATA FIRST_RESID 83 DATA SEQUENCE VKLAGNSSLc PINGWAVYSK DNSIRIGSKG DVFVIREPFI ScSHLEcRTF DATA SEQUENCE FLTQGALLND KHSNGTVKDR SPHRTLMSCP VGEAPSYNSR FESVAWSASA DATA SEQUENCE cHDGTSWLTI GISGPDNGAV AVLKYNGIIT DTIKSWRNNI LRTQESEcAc DATA SEQUENCE VNGScFTVMT DGPSNGQASY KIFKMEKGKV VKSVELDAPN YHYEEcScYP DATA SEQUENCE NAGEITcVcR DNWHGSNRPW VSFNXQNLEY QIGYIcSGVF GDNPRPNDGT DATA SEQUENCE GXScXXGPVS SNGAYGVKGF SFKYGNGVWI GRTKSTNSRS GFEMIWDPNG DATA SEQUENCE WTETDSSFSV XKQDIVAITD WSGYSGSFVL TGLDcIRPcF WVELIRGRPK DATA SEQUENCE EXSTIWTSGS SISFcGVNSD TVGWSWPDGA ELPFTI 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 83 V HA 0.000 nan 4.120 nan 0.000 0.244 83 V C 0.000 176.037 176.094 -0.095 0.000 1.182 83 V CA 0.000 62.256 62.300 -0.074 0.000 1.235 83 V CB 0.000 31.798 31.823 -0.041 0.000 1.184 84 K N 2.937 123.305 120.400 -0.054 0.000 2.550 84 K HA 0.155 4.475 4.320 0.000 0.000 0.280 84 K C -0.288 176.298 176.600 -0.023 0.000 0.987 84 K CA -0.237 56.027 56.287 -0.038 0.000 1.048 84 K CB 0.437 32.929 32.500 -0.015 0.000 0.879 84 K HN 0.407 nan 8.250 nan 0.000 0.491 85 L N 2.919 124.137 121.223 -0.008 0.000 2.418 85 L HA 0.106 4.446 4.340 0.000 0.000 0.274 85 L C -0.191 176.702 176.870 0.039 0.000 1.135 85 L CA 0.635 55.489 54.840 0.022 0.000 0.870 85 L CB 0.398 42.486 42.059 0.049 0.000 1.154 85 L HN 0.725 nan 8.230 nan 0.000 0.462 86 A N 3.459 126.301 122.820 0.037 0.000 2.309 86 A HA 0.637 4.957 4.320 0.000 0.000 0.298 86 A C 0.738 178.351 177.584 0.049 0.000 1.165 86 A CA 0.089 52.150 52.037 0.041 0.000 0.821 86 A CB 0.643 19.660 19.000 0.029 0.000 1.102 86 A HN 0.875 nan 8.150 nan 0.000 0.500 87 G N 0.644 109.477 108.800 0.055 0.000 4.222 87 G HA2 0.150 4.110 3.960 0.000 0.000 0.301 87 G HA3 0.150 4.110 3.960 0.000 0.000 0.301 87 G C 0.448 175.366 174.900 0.030 0.000 1.171 87 G CA 0.254 45.386 45.100 0.054 0.000 0.937 87 G HN 0.922 nan 8.290 nan 0.000 0.557 88 N N -0.176 118.538 118.700 0.023 0.000 2.409 88 N HA -0.041 4.699 4.740 0.000 0.000 0.179 88 N C 1.377 176.889 175.510 0.003 0.000 1.032 88 N CA 0.368 53.424 53.050 0.010 0.000 0.898 88 N CB 0.054 38.547 38.487 0.011 0.000 0.971 88 N HN 0.234 nan 8.380 nan 0.000 0.441 89 S N -0.085 115.619 115.700 0.007 0.000 2.608 89 S HA 0.301 4.771 4.470 0.000 0.000 0.261 89 S C 0.128 174.724 174.600 -0.005 0.000 1.314 89 S CA -0.873 57.328 58.200 0.000 0.000 0.992 89 S CB 1.461 64.662 63.200 0.002 0.000 0.935 89 S HN 0.114 nan 8.310 nan 0.000 0.564 90 S N 0.007 115.700 115.700 -0.012 0.000 2.745 90 S HA 0.494 4.964 4.470 0.000 0.000 0.292 90 S C 0.088 174.667 174.600 -0.034 0.000 1.133 90 S CA -0.863 57.322 58.200 -0.025 0.000 0.998 90 S CB 0.303 63.488 63.200 -0.025 0.000 1.087 90 S HN 0.591 nan 8.310 nan 0.000 0.551 91 L N 1.336 122.511 121.223 -0.079 0.000 2.485 91 L HA 0.130 4.471 4.340 0.000 0.000 0.275 91 L C -0.001 176.870 176.870 0.002 0.000 1.207 91 L CA -0.485 54.283 54.840 -0.119 0.000 0.855 91 L CB -0.089 41.747 42.059 -0.372 0.000 1.114 91 L HN 0.638 nan 8.230 nan 0.000 0.485 92 c N 3.574 122.162 118.600 -0.019 0.000 2.652 92 c HA 0.242 4.812 4.570 0.000 0.000 0.412 92 c C -1.629 172.475 174.090 0.024 0.000 1.294 92 c CA -1.006 55.310 56.329 -0.020 0.000 2.127 92 c CB -0.244 42.205 42.510 -0.102 0.000 2.691 92 c HN 0.532 nan 8.230 nan 0.000 0.615 93 P HA 0.458 nan 4.420 nan 0.000 0.279 93 P C -0.759 176.355 177.300 -0.310 0.000 1.239 93 P CA 0.307 63.297 63.100 -0.183 0.000 0.789 93 P CB 0.660 32.282 31.700 -0.131 0.000 0.933 94 I N -0.841 119.439 120.570 -0.484 0.000 3.264 94 I HA 0.507 4.677 4.170 0.000 0.000 0.315 94 I C 0.050 175.903 176.117 -0.441 0.000 1.154 94 I CA -1.008 59.983 61.300 -0.515 0.000 0.962 94 I CB 2.287 39.806 38.000 -0.802 0.000 1.265 94 I HN 0.030 nan 8.210 nan 0.000 0.463 95 N N 0.522 118.992 118.700 -0.384 0.000 2.211 95 N HA 0.361 5.102 4.740 0.000 0.000 0.216 95 N C 0.198 175.626 175.510 -0.136 0.000 1.240 95 N CA 0.491 53.425 53.050 -0.193 0.000 0.895 95 N CB 2.104 40.511 38.487 -0.133 0.000 1.102 95 N HN 0.941 nan 8.380 nan 0.000 0.498 96 G N -0.257 108.274 108.800 -0.449 0.000 2.570 96 G HA2 0.484 4.445 3.960 0.000 0.000 0.310 96 G HA3 0.484 4.445 3.960 0.000 0.000 0.310 96 G C -2.229 172.147 174.900 -0.874 0.000 1.266 96 G CA -0.697 44.147 45.100 -0.427 0.000 0.825 96 G HN 0.066 nan 8.290 nan 0.000 0.483 97 W N 0.077 121.353 121.300 -0.041 0.000 2.957 97 W HA 0.719 5.379 4.660 0.000 0.000 0.336 97 W C 0.056 176.689 176.519 0.190 0.000 1.087 97 W CA -0.657 56.715 57.345 0.044 0.000 1.235 97 W CB 2.278 31.809 29.460 0.118 0.000 1.399 97 W HN 0.764 nan 8.180 nan 0.000 0.480 98 A N 2.491 125.516 122.820 0.341 0.000 2.305 98 A HA 0.719 5.039 4.320 0.000 0.000 0.322 98 A C -0.137 177.579 177.584 0.220 0.000 1.187 98 A CA -0.829 51.366 52.037 0.263 0.000 0.825 98 A CB 0.385 19.457 19.000 0.120 0.000 1.164 98 A HN 0.802 nan 8.150 nan 0.000 0.498 99 V N 1.130 121.032 119.914 -0.020 0.000 2.557 99 V HA 0.002 4.122 4.120 0.000 0.000 0.301 99 V C 0.632 176.524 176.094 -0.337 0.000 1.026 99 V CA 0.600 62.514 62.300 -0.644 0.000 1.137 99 V CB -0.760 30.546 31.823 -0.860 0.000 0.917 99 V HN 0.934 nan 8.190 nan 0.000 0.484 100 Y N 3.439 123.407 120.300 -0.552 0.000 2.539 100 Y HA 0.348 4.898 4.550 0.000 0.000 0.284 100 Y C 1.288 177.039 175.900 -0.247 0.000 1.134 100 Y CA 0.725 58.666 58.100 -0.265 0.000 1.251 100 Y CB 0.707 39.098 38.460 -0.116 0.000 1.260 100 Y HN 0.964 nan 8.280 nan 0.000 0.528 101 S N -0.135 115.386 115.700 -0.299 0.000 2.588 101 S HA 0.516 4.986 4.470 0.000 0.000 0.269 101 S C -1.525 172.926 174.600 -0.248 0.000 1.157 101 S CA -1.013 57.018 58.200 -0.283 0.000 0.824 101 S CB 2.471 65.543 63.200 -0.212 0.000 1.126 101 S HN 0.155 nan 8.310 nan 0.000 0.464 102 K N 0.753 121.056 120.400 -0.162 0.000 2.616 102 K HA 0.269 4.589 4.320 0.000 0.000 0.255 102 K C -0.649 175.918 176.600 -0.054 0.000 0.995 102 K CA -0.371 55.865 56.287 -0.086 0.000 0.860 102 K CB 1.247 33.714 32.500 -0.054 0.000 1.264 102 K HN 0.759 nan 8.250 nan 0.000 0.451 103 D N 3.172 123.549 120.400 -0.038 0.000 2.213 103 D HA -0.094 4.546 4.640 0.000 0.000 0.205 103 D C -0.018 176.267 176.300 -0.025 0.000 0.961 103 D CA 0.857 54.828 54.000 -0.048 0.000 0.853 103 D CB -0.260 40.497 40.800 -0.072 0.000 0.967 103 D HN 0.840 nan 8.370 nan 0.000 0.496 104 N N -0.783 117.922 118.700 0.008 0.000 2.753 104 N HA -0.275 4.465 4.740 0.000 0.000 0.251 104 N C 0.975 176.493 175.510 0.013 0.000 1.097 104 N CA 0.586 53.654 53.050 0.030 0.000 0.786 104 N CB -1.245 37.259 38.487 0.029 0.000 1.137 104 N HN 0.365 nan 8.380 nan 0.000 0.566 105 S N 0.349 116.038 115.700 -0.018 0.000 2.378 105 S HA -0.271 4.199 4.470 0.000 0.000 0.229 105 S C 1.584 176.175 174.600 -0.015 0.000 1.052 105 S CA 1.699 59.868 58.200 -0.052 0.000 1.084 105 S CB -0.487 62.652 63.200 -0.101 0.000 0.950 105 S HN 0.453 nan 8.310 nan 0.000 0.440 106 I N 1.733 122.322 120.570 0.032 0.000 2.226 106 I HA -0.151 4.019 4.170 0.000 0.000 0.245 106 I C 3.139 179.391 176.117 0.225 0.000 1.100 106 I CA 1.495 62.856 61.300 0.102 0.000 1.374 106 I CB -0.369 37.701 38.000 0.116 0.000 1.057 106 I HN 0.238 nan 8.210 nan 0.000 0.413 107 R N 0.617 121.219 120.500 0.170 0.000 2.096 107 R HA -0.117 4.223 4.340 0.000 0.000 0.235 107 R C 2.283 178.615 176.300 0.052 0.000 1.127 107 R CA 1.414 57.602 56.100 0.147 0.000 0.968 107 R CB -0.271 30.091 30.300 0.103 0.000 0.861 107 R HN 0.375 nan 8.270 nan 0.000 0.440 108 I N -0.686 119.897 120.570 0.022 0.000 2.406 108 I HA -0.082 4.088 4.170 0.000 0.000 0.249 108 I C 2.280 178.364 176.117 -0.055 0.000 1.122 108 I CA 1.072 62.357 61.300 -0.026 0.000 1.431 108 I CB -0.394 37.584 38.000 -0.036 0.000 1.087 108 I HN 0.269 nan 8.210 nan 0.000 0.424 109 G N -0.300 108.477 108.800 -0.037 0.000 2.708 109 G HA2 -0.204 3.756 3.960 0.000 0.000 0.210 109 G HA3 -0.204 3.756 3.960 0.000 0.000 0.210 109 G C 1.655 176.504 174.900 -0.085 0.000 1.141 109 G CA 0.807 45.867 45.100 -0.067 0.000 0.788 109 G HN 0.335 nan 8.290 nan 0.000 0.531 110 S N -0.339 115.261 115.700 -0.166 0.000 2.382 110 S HA -0.064 4.406 4.470 0.000 0.000 0.228 110 S C 2.119 176.524 174.600 -0.324 0.000 1.027 110 S CA 1.972 59.855 58.200 -0.529 0.000 0.991 110 S CB -0.098 62.702 63.200 -0.666 0.000 0.823 110 S HN 0.572 nan 8.310 nan 0.000 0.469 111 K N -0.571 119.711 120.400 -0.197 0.000 2.325 111 K HA 0.267 4.587 4.320 0.000 0.000 0.203 111 K C 1.101 177.639 176.600 -0.103 0.000 1.128 111 K CA 0.519 56.723 56.287 -0.139 0.000 0.931 111 K CB -0.281 32.154 32.500 -0.109 0.000 1.125 111 K HN 0.307 nan 8.250 nan 0.000 0.487 112 G N 0.989 109.732 108.800 -0.094 0.000 2.699 112 G HA2 0.008 3.968 3.960 0.000 0.000 0.246 112 G HA3 0.008 3.968 3.960 0.000 0.000 0.246 112 G C -0.762 174.066 174.900 -0.119 0.000 1.219 112 G CA -0.332 44.719 45.100 -0.081 0.000 0.866 112 G HN 0.317 nan 8.290 nan 0.000 0.572 113 D N 0.548 120.867 120.400 -0.135 0.000 2.522 113 D HA 0.259 4.899 4.640 0.000 0.000 0.218 113 D C -0.024 176.031 176.300 -0.408 0.000 1.149 113 D CA 0.180 54.023 54.000 -0.261 0.000 0.981 113 D CB 1.027 41.657 40.800 -0.283 0.000 1.041 113 D HN -0.034 nan 8.370 nan 0.000 0.518 114 V N 2.137 121.854 119.914 -0.328 0.000 2.547 114 V HA 0.343 4.463 4.120 0.000 0.000 0.299 114 V C 0.439 176.339 176.094 -0.324 0.000 1.040 114 V CA -0.908 61.192 62.300 -0.333 0.000 0.913 114 V CB 1.432 33.130 31.823 -0.208 0.000 0.992 114 V HN 0.245 nan 8.190 nan 0.000 0.449 115 F N 2.303 122.094 119.950 -0.265 0.000 2.506 115 F HA 0.260 4.787 4.527 0.000 0.000 0.351 115 F C 0.580 176.240 175.800 -0.233 0.000 1.136 115 F CA 0.118 57.979 58.000 -0.233 0.000 1.298 115 F CB 1.205 40.054 39.000 -0.252 0.000 1.145 115 F HN 0.343 nan 8.300 nan 0.000 0.593 116 V N 6.722 126.686 119.914 0.083 0.000 2.432 116 V HA 0.524 4.645 4.120 0.000 0.000 0.271 116 V C -0.293 175.808 176.094 0.011 0.000 1.046 116 V CA -0.279 62.010 62.300 -0.019 0.000 0.945 116 V CB 0.242 32.057 31.823 -0.014 0.000 0.992 116 V HN 0.628 nan 8.190 nan 0.000 0.471 117 I N 4.880 125.429 120.570 -0.035 0.000 3.322 117 I HA 0.852 5.022 4.170 0.000 0.000 0.313 117 I C -0.880 175.239 176.117 0.004 0.000 1.129 117 I CA -1.300 59.980 61.300 -0.034 0.000 0.963 117 I CB 2.456 40.351 38.000 -0.174 0.000 1.273 117 I HN 0.434 nan 8.210 nan 0.000 0.473 118 R N 1.338 121.855 120.500 0.029 0.000 2.707 118 R HA 0.280 4.620 4.340 0.000 0.000 0.272 118 R C -1.265 175.067 176.300 0.055 0.000 1.011 118 R CA -0.428 55.682 56.100 0.017 0.000 0.893 118 R CB 1.521 31.820 30.300 -0.002 0.000 1.233 118 R HN 0.934 nan 8.270 nan 0.000 0.464 119 E N 0.412 120.651 120.200 0.064 0.000 2.273 119 E HA -0.140 4.210 4.350 0.000 0.000 0.177 119 E C -2.048 174.521 176.600 -0.052 0.000 1.511 119 E CA 0.104 56.603 56.400 0.166 0.000 0.675 119 E CB -1.129 28.785 29.700 0.356 0.000 1.094 119 E HN 0.248 nan 8.360 nan 0.000 0.348 120 P HA 0.060 nan 4.420 nan 0.000 0.244 120 P C -0.304 176.463 177.300 -0.889 0.000 1.769 120 P CA -0.257 62.631 63.100 -0.354 0.000 1.102 120 P CB -0.853 30.735 31.700 -0.187 0.000 1.937 121 F N 1.724 121.088 119.950 -0.976 0.000 2.389 121 F HA 0.500 5.027 4.527 0.000 0.000 0.337 121 F C 0.034 175.458 175.800 -0.627 0.000 1.112 121 F CA -1.411 55.747 58.000 -1.403 0.000 1.192 121 F CB 0.228 38.917 39.000 -0.517 0.000 1.185 121 F HN -0.023 nan 8.300 nan 0.000 0.552 122 I N 2.303 122.641 120.570 -0.387 0.000 2.566 122 I HA 0.479 4.650 4.170 0.000 0.000 0.303 122 I C -0.020 176.164 176.117 0.112 0.000 0.983 122 I CA -0.660 60.474 61.300 -0.276 0.000 1.235 122 I CB 1.789 39.234 38.000 -0.925 0.000 1.386 122 I HN 0.794 nan 8.210 nan 0.000 0.494 123 S N 3.568 119.424 115.700 0.260 0.000 2.535 123 S HA 0.582 5.052 4.470 0.000 0.000 0.272 123 S C -1.188 173.776 174.600 0.606 0.000 1.149 123 S CA -0.514 57.991 58.200 0.509 0.000 0.888 123 S CB 1.099 64.661 63.200 0.604 0.000 1.110 123 S HN 0.689 nan 8.310 nan 0.000 0.463 124 c N 2.630 121.538 118.600 0.513 0.000 2.719 124 c HA 0.951 5.521 4.570 0.000 0.000 0.327 124 c C 0.979 175.142 174.090 0.122 0.000 1.238 124 c CA -0.560 56.002 56.329 0.387 0.000 1.727 124 c CB 1.261 43.950 42.510 0.299 0.000 2.256 124 c HN 1.012 nan 8.230 nan 0.000 0.489 125 S N 0.149 115.806 115.700 -0.073 0.000 2.618 125 S HA 0.379 4.849 4.470 0.000 0.000 0.284 125 S C 0.576 175.089 174.600 -0.145 0.000 1.102 125 S CA -0.179 57.733 58.200 -0.480 0.000 0.984 125 S CB 0.062 62.659 63.200 -1.004 0.000 1.280 125 S HN 0.930 nan 8.310 nan 0.000 0.525 126 H N -0.073 118.806 119.070 -0.318 0.000 2.526 126 H HA 0.474 5.031 4.556 0.000 0.000 0.274 126 H C 0.802 176.078 175.328 -0.088 0.000 0.999 126 H CA -0.063 55.913 56.048 -0.120 0.000 1.157 126 H CB -0.426 29.295 29.762 -0.069 0.000 1.407 126 H HN 0.455 nan 8.280 nan 0.000 0.568 127 L N -0.302 120.666 121.223 -0.426 0.000 2.746 127 L HA 0.235 4.575 4.340 0.000 0.000 0.230 127 L C 0.476 177.272 176.870 -0.123 0.000 1.034 127 L CA 0.196 54.835 54.840 -0.336 0.000 0.922 127 L CB 0.711 42.491 42.059 -0.465 0.000 1.496 127 L HN 0.238 nan 8.230 nan 0.000 0.498 128 E N -1.204 118.958 120.200 -0.062 0.000 2.446 128 E HA 0.487 4.837 4.350 0.000 0.000 0.269 128 E C -1.567 175.124 176.600 0.151 0.000 0.977 128 E CA -0.845 55.586 56.400 0.052 0.000 0.854 128 E CB 2.334 32.068 29.700 0.056 0.000 1.545 128 E HN -0.109 nan 8.360 nan 0.000 0.448 129 c N 0.135 118.839 118.600 0.173 0.000 2.482 129 c HA 0.675 5.245 4.570 0.000 0.000 0.317 129 c C -0.526 173.630 174.090 0.109 0.000 1.197 129 c CA -0.536 55.920 56.329 0.213 0.000 1.432 129 c CB 0.897 43.553 42.510 0.242 0.000 2.062 129 c HN 0.593 nan 8.230 nan 0.000 0.471 130 R N 0.791 121.337 120.500 0.076 0.000 2.888 130 R HA 0.744 5.084 4.340 0.000 0.000 0.266 130 R C -0.970 175.166 176.300 -0.273 0.000 1.020 130 R CA -0.559 55.425 56.100 -0.192 0.000 0.963 130 R CB 1.849 31.856 30.300 -0.488 0.000 1.197 130 R HN 0.616 nan 8.270 nan 0.000 0.481 131 T N 1.925 116.242 114.554 -0.396 0.000 2.758 131 T HA 0.458 4.808 4.350 0.000 0.000 0.285 131 T C -0.838 173.494 174.700 -0.614 0.000 0.981 131 T CA -0.302 61.583 62.100 -0.358 0.000 0.965 131 T CB 0.277 69.032 68.868 -0.188 0.000 0.927 131 T HN 0.162 nan 8.240 nan 0.000 0.448 132 F N 3.620 123.089 119.950 -0.801 0.000 2.440 132 F HA 0.790 5.317 4.527 0.000 0.000 0.328 132 F C -0.039 175.209 175.800 -0.921 0.000 1.070 132 F CA -1.053 56.273 58.000 -1.122 0.000 1.011 132 F CB 1.161 39.192 39.000 -1.616 0.000 1.226 132 F HN 0.576 nan 8.300 nan 0.000 0.491 133 F N -0.612 119.059 119.950 -0.465 0.000 2.744 133 F HA 0.683 5.210 4.527 0.000 0.000 0.311 133 F C -2.325 173.342 175.800 -0.223 0.000 1.144 133 F CA -1.729 56.075 58.000 -0.326 0.000 0.938 133 F CB 0.776 39.601 39.000 -0.291 0.000 1.292 133 F HN 0.212 nan 8.300 nan 0.000 0.444 134 L N 1.969 123.260 121.223 0.114 0.000 2.325 134 L HA 0.848 5.188 4.340 0.000 0.000 0.278 134 L C -0.191 176.740 176.870 0.102 0.000 1.023 134 L CA -0.694 54.180 54.840 0.057 0.000 0.811 134 L CB 2.276 44.388 42.059 0.088 0.000 1.249 134 L HN 0.978 nan 8.230 nan 0.000 0.431 135 T N -2.081 112.482 114.554 0.015 0.000 2.906 135 T HA 0.290 4.641 4.350 0.000 0.000 0.295 135 T C 0.051 174.759 174.700 0.013 0.000 1.061 135 T CA -0.840 61.241 62.100 -0.032 0.000 1.000 135 T CB 2.134 70.824 68.868 -0.297 0.000 1.103 135 T HN 0.443 nan 8.240 nan 0.000 0.486 136 Q N 0.425 120.261 119.800 0.060 0.000 2.280 136 Q HA 0.219 4.559 4.340 0.000 0.000 0.202 136 Q C 1.213 177.276 176.000 0.105 0.000 0.903 136 Q CA 0.632 56.504 55.803 0.115 0.000 0.948 136 Q CB 0.325 29.141 28.738 0.129 0.000 1.058 136 Q HN 1.308 nan 8.270 nan 0.000 0.493 137 G N 1.026 109.863 108.800 0.062 0.000 2.289 137 G HA2 -0.159 3.802 3.960 0.000 0.000 0.280 137 G HA3 -0.159 3.802 3.960 0.000 0.000 0.280 137 G C -0.105 174.866 174.900 0.118 0.000 1.089 137 G CA 0.336 45.491 45.100 0.091 0.000 0.939 137 G HN 0.533 nan 8.290 nan 0.000 0.499 138 A N -0.582 122.362 122.820 0.205 0.000 2.556 138 A HA 0.916 5.236 4.320 0.000 0.000 0.294 138 A C -0.391 177.278 177.584 0.141 0.000 1.091 138 A CA -0.798 51.324 52.037 0.142 0.000 0.704 138 A CB 1.405 20.482 19.000 0.128 0.000 1.300 138 A HN 0.869 nan 8.150 nan 0.000 0.406 139 L N 0.973 122.204 121.223 0.013 0.000 2.330 139 L HA 0.500 4.840 4.340 0.000 0.000 0.271 139 L C -0.354 176.442 176.870 -0.124 0.000 1.013 139 L CA -0.824 53.956 54.840 -0.101 0.000 0.816 139 L CB 1.537 43.487 42.059 -0.182 0.000 1.287 139 L HN 0.655 nan 8.230 nan 0.000 0.435 140 L N 2.506 123.613 121.223 -0.194 0.000 2.485 140 L HA 0.007 4.347 4.340 0.000 0.000 0.275 140 L C 0.892 177.652 176.870 -0.185 0.000 1.207 140 L CA 0.353 55.018 54.840 -0.292 0.000 0.855 140 L CB -0.081 41.817 42.059 -0.268 0.000 1.114 140 L HN 0.755 nan 8.230 nan 0.000 0.485 141 N N 0.724 119.310 118.700 -0.189 0.000 2.782 141 N HA -0.200 4.540 4.740 0.000 0.000 0.251 141 N C -0.700 174.793 175.510 -0.028 0.000 1.101 141 N CA 1.118 54.146 53.050 -0.036 0.000 0.764 141 N CB -0.832 37.633 38.487 -0.036 0.000 1.122 141 N HN 0.790 nan 8.380 nan 0.000 0.561 142 D N -0.431 119.946 120.400 -0.038 0.000 2.433 142 D HA 0.328 4.968 4.640 0.000 0.000 0.236 142 D C 1.254 177.560 176.300 0.010 0.000 1.026 142 D CA -0.524 53.477 54.000 0.001 0.000 0.884 142 D CB 0.949 41.767 40.800 0.029 0.000 1.384 142 D HN 0.156 nan 8.370 nan 0.000 0.477 143 K N 1.436 121.817 120.400 -0.031 0.000 2.360 143 K HA -0.169 4.151 4.320 0.000 0.000 0.201 143 K C 0.853 177.374 176.600 -0.132 0.000 1.046 143 K CA 1.128 57.362 56.287 -0.088 0.000 0.940 143 K CB -0.132 32.271 32.500 -0.162 0.000 0.748 143 K HN 0.462 nan 8.250 nan 0.000 0.465 144 H N 1.151 120.231 119.070 0.016 0.000 2.547 144 H HA 0.038 4.594 4.556 0.000 0.000 0.272 144 H C 1.367 176.717 175.328 0.036 0.000 0.989 144 H CA 1.242 57.299 56.048 0.016 0.000 1.214 144 H CB 0.343 30.102 29.762 -0.004 0.000 1.389 144 H HN 0.456 nan 8.280 nan 0.000 0.577 145 S N 0.180 115.956 115.700 0.127 0.000 2.754 145 S HA -0.051 4.419 4.470 0.000 0.000 0.223 145 S C 1.562 176.263 174.600 0.168 0.000 0.951 145 S CA -0.249 58.025 58.200 0.123 0.000 0.954 145 S CB -0.163 63.057 63.200 0.034 0.000 0.780 145 S HN 0.274 nan 8.310 nan 0.000 0.509 146 N N 2.322 121.096 118.700 0.124 0.000 2.247 146 N HA -0.176 4.564 4.740 0.000 0.000 0.189 146 N C 1.724 177.297 175.510 0.105 0.000 1.009 146 N CA 1.418 54.531 53.050 0.105 0.000 0.872 146 N CB -0.958 37.565 38.487 0.059 0.000 0.980 146 N HN 0.756 nan 8.380 nan 0.000 0.436 147 G N -0.605 108.264 108.800 0.115 0.000 2.262 147 G HA2 -0.415 3.545 3.960 0.000 0.000 0.269 147 G HA3 -0.415 3.545 3.960 0.000 0.000 0.269 147 G C 1.047 175.981 174.900 0.055 0.000 0.984 147 G CA 1.801 46.957 45.100 0.094 0.000 0.649 147 G HN 0.585 nan 8.290 nan 0.000 0.548 148 T N -1.279 113.303 114.554 0.045 0.000 3.155 148 T HA 0.318 4.668 4.350 0.000 0.000 0.264 148 T C 1.142 175.859 174.700 0.028 0.000 1.160 148 T CA 0.663 62.777 62.100 0.024 0.000 1.075 148 T CB 0.009 68.888 68.868 0.018 0.000 0.921 148 T HN 0.623 nan 8.240 nan 0.000 0.533 149 V N 2.839 122.782 119.914 0.048 0.000 2.740 149 V HA 0.153 4.273 4.120 0.000 0.000 0.303 149 V C 0.759 176.867 176.094 0.024 0.000 1.054 149 V CA -1.329 61.003 62.300 0.052 0.000 1.106 149 V CB 0.242 32.124 31.823 0.098 0.000 0.957 149 V HN 0.611 nan 8.190 nan 0.000 0.486 150 K N 2.996 123.395 120.400 -0.002 0.000 2.518 150 K HA 0.017 4.338 4.320 0.000 0.000 0.276 150 K C 0.408 176.981 176.600 -0.044 0.000 0.974 150 K CA -0.004 56.256 56.287 -0.044 0.000 0.986 150 K CB 0.412 32.862 32.500 -0.083 0.000 0.901 150 K HN 0.595 nan 8.250 nan 0.000 0.497 151 D N 1.852 122.213 120.400 -0.065 0.000 2.097 151 D HA -0.144 4.496 4.640 0.000 0.000 0.195 151 D C 0.187 176.441 176.300 -0.075 0.000 0.989 151 D CA 1.468 55.443 54.000 -0.041 0.000 0.827 151 D CB 0.123 40.901 40.800 -0.036 0.000 0.966 151 D HN 0.490 nan 8.370 nan 0.000 0.456 152 R N 1.555 121.885 120.500 -0.283 0.000 2.891 152 R HA 0.177 4.517 4.340 0.000 0.000 0.248 152 R C -0.020 176.078 176.300 -0.338 0.000 1.439 152 R CA -0.203 55.521 56.100 -0.626 0.000 1.288 152 R CB 0.543 29.912 30.300 -1.553 0.000 1.212 152 R HN 0.027 nan 8.270 nan 0.000 0.605 153 S N 0.624 116.316 115.700 -0.014 0.000 2.593 153 S HA 0.415 4.886 4.470 0.000 0.000 0.297 153 S C -1.660 172.977 174.600 0.062 0.000 1.112 153 S CA -1.525 56.672 58.200 -0.006 0.000 1.043 153 S CB 1.887 65.091 63.200 0.006 0.000 1.054 153 S HN 0.238 nan 8.310 nan 0.000 0.516 154 P HA -0.011 nan 4.420 nan 0.000 0.244 154 P C 0.191 177.420 177.300 -0.120 0.000 1.211 154 P CA 0.931 63.961 63.100 -0.117 0.000 0.760 154 P CB -0.434 31.146 31.700 -0.201 0.000 0.961 155 H N -2.039 117.099 119.070 0.113 0.000 2.729 155 H HA 0.220 4.776 4.556 0.000 0.000 0.263 155 H C 0.973 176.351 175.328 0.084 0.000 0.961 155 H CA -0.590 55.508 56.048 0.083 0.000 1.217 155 H CB 0.236 30.038 29.762 0.067 0.000 1.447 155 H HN -0.084 nan 8.280 nan 0.000 0.496 156 R N 2.563 123.181 120.500 0.197 0.000 2.522 156 R HA 0.048 4.388 4.340 0.000 0.000 0.284 156 R C -0.430 175.923 176.300 0.088 0.000 1.032 156 R CA 0.491 56.681 56.100 0.150 0.000 1.049 156 R CB 0.193 30.623 30.300 0.218 0.000 0.956 156 R HN 0.292 nan 8.270 nan 0.000 0.422 157 T N 1.577 116.141 114.554 0.018 0.000 2.909 157 T HA 0.426 4.776 4.350 0.000 0.000 0.299 157 T C -1.019 173.557 174.700 -0.207 0.000 1.073 157 T CA -1.053 61.013 62.100 -0.056 0.000 0.999 157 T CB 1.291 70.196 68.868 0.061 0.000 1.098 157 T HN 0.343 nan 8.240 nan 0.000 0.477 158 L N 2.989 124.012 121.223 -0.332 0.000 2.290 158 L HA 0.732 5.072 4.340 0.000 0.000 0.284 158 L C -0.642 175.843 176.870 -0.642 0.000 1.078 158 L CA -0.121 54.471 54.840 -0.413 0.000 0.815 158 L CB 0.192 42.067 42.059 -0.307 0.000 1.162 158 L HN 0.827 nan 8.230 nan 0.000 0.435 159 M N 3.390 122.463 119.600 -0.879 0.000 2.667 159 M HA 0.625 5.105 4.480 0.000 0.000 0.286 159 M C -0.697 174.714 176.300 -1.482 0.000 1.270 159 M CA -0.681 54.011 55.300 -1.014 0.000 0.826 159 M CB 2.578 34.709 32.600 -0.782 0.000 1.743 159 M HN 0.682 nan 8.290 nan 0.000 0.460 160 S N 0.216 115.257 115.700 -1.097 0.000 2.579 160 S HA 0.912 5.382 4.470 0.000 0.000 0.272 160 S C -1.004 173.276 174.600 -0.533 0.000 1.141 160 S CA -0.775 56.754 58.200 -1.118 0.000 0.843 160 S CB 1.840 64.005 63.200 -1.724 0.000 1.122 160 S HN 1.141 nan 8.310 nan 0.000 0.468 161 C N -1.037 118.043 119.300 -0.366 0.000 3.288 161 C HA 0.848 5.309 4.460 0.000 0.000 0.318 161 C C -3.061 171.809 174.990 -0.199 0.000 1.356 161 C CA -1.870 57.043 59.018 -0.175 0.000 1.359 161 C CB 1.018 28.761 27.740 0.005 0.000 1.688 161 C HN 0.770 nan 8.230 nan 0.000 0.467 162 P HA 0.153 nan 4.420 nan 0.000 0.266 162 P C 0.066 177.303 177.300 -0.105 0.000 1.195 162 P CA 0.587 63.622 63.100 -0.109 0.000 0.768 162 P CB 0.414 32.070 31.700 -0.073 0.000 0.838 163 V N 2.632 122.490 119.914 -0.093 0.000 2.694 163 V HA 0.202 4.322 4.120 0.000 0.000 0.306 163 V C 1.902 177.929 176.094 -0.112 0.000 1.054 163 V CA 1.944 64.188 62.300 -0.094 0.000 1.161 163 V CB -0.463 31.338 31.823 -0.036 0.000 0.916 163 V HN 1.082 nan 8.190 nan 0.000 0.490 164 G N 3.508 112.240 108.800 -0.115 0.000 2.268 164 G HA2 -0.207 3.753 3.960 0.000 0.000 0.240 164 G HA3 -0.207 3.753 3.960 0.000 0.000 0.240 164 G C 0.072 174.914 174.900 -0.096 0.000 1.010 164 G CA 0.217 45.246 45.100 -0.119 0.000 0.618 164 G HN 0.678 nan 8.290 nan 0.000 0.516 165 E N 0.735 120.880 120.200 -0.092 0.000 2.283 165 E HA 0.627 4.977 4.350 0.000 0.000 0.271 165 E C 0.563 177.105 176.600 -0.098 0.000 1.031 165 E CA -0.082 56.269 56.400 -0.082 0.000 0.868 165 E CB 1.312 30.970 29.700 -0.070 0.000 1.094 165 E HN 0.667 nan 8.360 nan 0.000 0.401 166 A N 4.021 126.783 122.820 -0.098 0.000 2.454 166 A HA 0.222 4.542 4.320 0.000 0.000 0.260 166 A C -2.082 175.405 177.584 -0.162 0.000 1.106 166 A CA -1.262 50.697 52.037 -0.131 0.000 0.780 166 A CB -0.211 18.722 19.000 -0.112 0.000 1.044 166 A HN 0.352 nan 8.150 nan 0.000 0.498 167 P HA 0.104 nan 4.420 nan 0.000 0.269 167 P C 0.074 177.273 177.300 -0.168 0.000 1.252 167 P CA 0.383 63.309 63.100 -0.290 0.000 0.780 167 P CB 1.069 32.165 31.700 -1.008 0.000 0.829 168 S N 3.315 118.939 115.700 -0.125 0.000 4.019 168 S HA 0.135 4.605 4.470 0.000 0.000 0.199 168 S C 1.068 175.409 174.600 -0.433 0.000 1.177 168 S CA -0.320 57.589 58.200 -0.485 0.000 1.478 168 S CB -0.586 62.313 63.200 -0.502 0.000 1.580 168 S HN 0.357 nan 8.310 nan 0.000 0.766 169 Y N 3.507 123.760 120.300 -0.079 0.000 4.671 169 Y HA -0.305 4.245 4.550 0.000 0.000 0.196 169 Y C 1.540 177.426 175.900 -0.024 0.000 0.990 169 Y CA 1.205 59.276 58.100 -0.047 0.000 1.628 169 Y CB -1.449 36.970 38.460 -0.069 0.000 1.554 169 Y HN 0.791 nan 8.280 nan 0.000 0.572 170 N N -1.871 116.878 118.700 0.082 0.000 2.082 170 N HA 0.052 4.792 4.740 0.000 0.000 0.228 170 N C -0.616 174.921 175.510 0.045 0.000 1.341 170 N CA 0.252 53.334 53.050 0.053 0.000 0.873 170 N CB 0.160 38.661 38.487 0.023 0.000 1.137 170 N HN 0.028 nan 8.380 nan 0.000 0.505 171 S N 0.995 116.754 115.700 0.097 0.000 2.508 171 S HA 0.348 4.818 4.470 0.000 0.000 0.284 171 S C -0.188 174.448 174.600 0.059 0.000 1.192 171 S CA -0.775 57.499 58.200 0.123 0.000 1.070 171 S CB 2.217 65.643 63.200 0.376 0.000 1.004 171 S HN 0.279 nan 8.310 nan 0.000 0.493 172 R N 1.787 122.246 120.500 -0.068 0.000 2.459 172 R HA 0.324 4.664 4.340 0.000 0.000 0.281 172 R C -0.970 175.273 176.300 -0.095 0.000 1.050 172 R CA -0.491 55.565 56.100 -0.074 0.000 1.055 172 R CB 0.455 30.658 30.300 -0.161 0.000 1.045 172 R HN 0.581 nan 8.270 nan 0.000 0.495 173 F N 3.410 123.284 119.950 -0.125 0.000 2.427 173 F HA 0.167 4.694 4.527 0.000 0.000 0.352 173 F C 0.548 176.260 175.800 -0.146 0.000 1.100 173 F CA 0.054 57.973 58.000 -0.135 0.000 1.191 173 F CB 1.112 40.067 39.000 -0.076 0.000 1.128 173 F HN 0.652 nan 8.300 nan 0.000 0.533 174 E N 2.450 121.988 120.200 -1.103 0.000 2.279 174 E HA 0.168 4.518 4.350 0.000 0.000 0.199 174 E C -0.135 175.931 176.600 -0.890 0.000 0.893 174 E CA 0.302 56.258 56.400 -0.740 0.000 0.978 174 E CB 0.622 30.050 29.700 -0.453 0.000 0.964 174 E HN 0.481 nan 8.360 nan 0.000 0.486 175 S N -0.553 114.426 115.700 -1.202 0.000 2.595 175 S HA 0.330 4.800 4.470 0.000 0.000 0.270 175 S C -1.625 172.770 174.600 -0.342 0.000 1.145 175 S CA -0.624 57.220 58.200 -0.593 0.000 0.825 175 S CB 1.480 64.510 63.200 -0.284 0.000 1.107 175 S HN -0.096 nan 8.310 nan 0.000 0.461 176 V N 2.324 122.236 119.914 -0.003 0.000 2.385 176 V HA 0.828 4.948 4.120 0.000 0.000 0.269 176 V C 0.324 176.359 176.094 -0.098 0.000 1.043 176 V CA 0.509 62.837 62.300 0.047 0.000 0.906 176 V CB 0.134 32.021 31.823 0.107 0.000 0.995 176 V HN 1.102 nan 8.190 nan 0.000 0.467 177 A N 5.347 128.098 122.820 -0.115 0.000 2.583 177 A HA 0.538 4.858 4.320 0.000 0.000 0.298 177 A C -0.449 177.078 177.584 -0.094 0.000 1.055 177 A CA -0.723 51.172 52.037 -0.236 0.000 0.714 177 A CB 0.952 19.807 19.000 -0.241 0.000 1.277 177 A HN 0.954 nan 8.150 nan 0.000 0.406 178 W N 1.257 122.564 121.300 0.011 0.000 3.123 178 W HA 0.555 5.215 4.660 0.000 0.000 0.383 178 W C 0.051 176.597 176.519 0.045 0.000 1.102 178 W CA 0.265 57.625 57.345 0.025 0.000 1.865 178 W CB 0.182 29.654 29.460 0.020 0.000 1.111 178 W HN 0.934 nan 8.180 nan 0.000 0.621 179 S N 0.673 116.434 115.700 0.103 0.000 2.584 179 S HA 0.634 5.104 4.470 0.000 0.000 0.280 179 S C -0.974 173.619 174.600 -0.011 0.000 1.162 179 S CA 0.068 58.350 58.200 0.137 0.000 0.951 179 S CB 0.873 64.196 63.200 0.206 0.000 1.108 179 S HN 0.376 nan 8.310 nan 0.000 0.464 180 A N 2.494 125.355 122.820 0.068 0.000 2.529 180 A HA 1.013 5.333 4.320 0.000 0.000 0.296 180 A C -0.606 176.992 177.584 0.024 0.000 1.205 180 A CA -0.149 51.907 52.037 0.031 0.000 0.671 180 A CB 1.083 20.109 19.000 0.044 0.000 1.301 180 A HN 2.065 nan 8.150 nan 0.000 0.450 181 S N -1.718 113.971 115.700 -0.018 0.000 2.615 181 S HA 0.942 5.412 4.470 0.000 0.000 0.268 181 S C -0.757 173.792 174.600 -0.084 0.000 1.146 181 S CA 0.051 58.138 58.200 -0.189 0.000 0.818 181 S CB 0.871 63.969 63.200 -0.170 0.000 1.111 181 S HN 2.694 nan 8.310 nan 0.000 0.465 182 A N -0.211 122.524 122.820 -0.143 0.000 2.599 182 A HA 0.862 5.182 4.320 0.000 0.000 0.294 182 A C -0.680 176.917 177.584 0.022 0.000 1.055 182 A CA -0.320 51.635 52.037 -0.137 0.000 0.683 182 A CB 0.475 19.112 19.000 -0.604 0.000 1.278 182 A HN 2.601 nan 8.150 nan 0.000 0.412 183 c N -0.455 118.282 118.600 0.228 0.000 3.302 183 c HA 0.789 5.359 4.570 0.000 0.000 0.347 183 c C -0.812 173.423 174.090 0.241 0.000 1.218 183 c CA -0.771 55.748 56.329 0.317 0.000 1.234 183 c CB 0.412 43.038 42.510 0.193 0.000 1.551 183 c HN 1.351 nan 8.230 nan 0.000 0.501 184 H N 1.038 120.012 119.070 -0.160 0.000 2.467 184 H HA 0.520 5.076 4.556 0.000 0.000 0.326 184 H C 0.694 175.906 175.328 -0.192 0.000 1.094 184 H CA 0.262 56.014 56.048 -0.494 0.000 1.253 184 H CB 1.354 30.419 29.762 -1.162 0.000 1.439 184 H HN 0.824 nan 8.280 nan 0.000 0.479 185 D N 2.653 122.905 120.400 -0.246 0.000 2.328 185 D HA 0.129 4.769 4.640 0.000 0.000 0.221 185 D C 1.445 177.723 176.300 -0.035 0.000 1.072 185 D CA 0.588 54.550 54.000 -0.063 0.000 0.850 185 D CB 0.268 41.055 40.800 -0.022 0.000 0.922 185 D HN 0.852 nan 8.370 nan 0.000 0.516 186 G N -0.864 107.984 108.800 0.081 0.000 2.284 186 G HA2 -0.298 3.663 3.960 0.000 0.000 0.216 186 G HA3 -0.298 3.663 3.960 0.000 0.000 0.216 186 G C 1.186 175.983 174.900 -0.171 0.000 1.009 186 G CA 0.396 45.503 45.100 0.013 0.000 0.625 186 G HN 0.386 nan 8.290 nan 0.000 0.501 187 T N -0.035 114.389 114.554 -0.216 0.000 3.082 187 T HA 0.525 4.875 4.350 0.000 0.000 0.235 187 T C 0.953 175.476 174.700 -0.295 0.000 0.991 187 T CA 1.525 63.522 62.100 -0.172 0.000 1.220 187 T CB 0.265 69.082 68.868 -0.084 0.000 0.909 187 T HN 0.441 nan 8.240 nan 0.000 0.424 188 S N -1.019 114.223 115.700 -0.763 0.000 2.697 188 S HA 0.538 5.008 4.470 0.000 0.000 0.289 188 S C -1.836 172.103 174.600 -1.102 0.000 1.149 188 S CA -0.978 56.715 58.200 -0.846 0.000 0.850 188 S CB 1.218 63.922 63.200 -0.828 0.000 1.151 188 S HN 0.386 nan 8.310 nan 0.000 0.491 189 W N 1.587 122.623 121.300 -0.440 0.000 2.261 189 W HA 0.576 5.236 4.660 0.000 0.000 0.323 189 W C -0.352 176.059 176.519 -0.179 0.000 1.243 189 W CA -0.228 57.024 57.345 -0.155 0.000 1.210 189 W CB 0.600 30.110 29.460 0.083 0.000 1.149 189 W HN 0.346 nan 8.180 nan 0.000 0.562 190 L N 4.153 125.535 121.223 0.266 0.000 2.333 190 L HA 0.700 5.040 4.340 0.000 0.000 0.280 190 L C -0.143 176.825 176.870 0.164 0.000 1.004 190 L CA -0.270 54.703 54.840 0.222 0.000 0.820 190 L CB 1.277 43.459 42.059 0.205 0.000 1.247 190 L HN 0.394 nan 8.230 nan 0.000 0.416 191 T N 2.732 117.341 114.554 0.091 0.000 2.893 191 T HA 0.771 5.121 4.350 0.000 0.000 0.291 191 T C -0.372 174.312 174.700 -0.027 0.000 1.028 191 T CA -0.559 61.543 62.100 0.003 0.000 0.995 191 T CB 1.374 70.225 68.868 -0.028 0.000 1.051 191 T HN 0.513 nan 8.240 nan 0.000 0.470 192 I N 1.685 122.220 120.570 -0.060 0.000 2.439 192 I HA 0.566 4.737 4.170 0.000 0.000 0.283 192 I C 0.350 176.401 176.117 -0.110 0.000 1.023 192 I CA -0.879 60.368 61.300 -0.088 0.000 1.100 192 I CB 1.839 39.781 38.000 -0.096 0.000 1.238 192 I HN 0.974 nan 8.210 nan 0.000 0.445 193 G N 7.293 116.010 108.800 -0.138 0.000 2.487 193 G HA2 0.734 4.694 3.960 0.000 0.000 0.314 193 G HA3 0.734 4.694 3.960 0.000 0.000 0.314 193 G C -0.732 174.014 174.900 -0.256 0.000 1.267 193 G CA -0.417 44.574 45.100 -0.182 0.000 0.937 193 G HN 0.474 nan 8.290 nan 0.000 0.481 194 I N 2.003 122.344 120.570 -0.381 0.000 2.336 194 I HA 0.485 4.655 4.170 0.000 0.000 0.292 194 I C 0.352 175.851 176.117 -1.030 0.000 0.991 194 I CA -0.249 60.692 61.300 -0.598 0.000 1.227 194 I CB 1.770 39.384 38.000 -0.642 0.000 1.366 194 I HN 0.472 nan 8.210 nan 0.000 0.466 195 S N 3.494 118.732 115.700 -0.770 0.000 2.794 195 S HA 0.961 5.432 4.470 0.000 0.000 0.299 195 S C -0.371 174.119 174.600 -0.184 0.000 1.179 195 S CA 0.193 57.976 58.200 -0.695 0.000 0.838 195 S CB 1.806 64.823 63.200 -0.305 0.000 1.206 195 S HN 1.141 nan 8.310 nan 0.000 0.523 196 G N 1.319 110.207 108.800 0.147 0.000 2.566 196 G HA2 0.007 3.967 3.960 0.000 0.000 0.599 196 G HA3 0.007 3.967 3.960 0.000 0.000 0.599 196 G C -3.236 171.868 174.900 0.340 0.000 1.292 196 G CA -0.408 44.808 45.100 0.194 0.000 0.922 196 G HN 0.679 nan 8.290 nan 0.000 0.514 197 P HA 0.296 nan 4.420 nan 0.000 0.273 197 P C -0.077 177.315 177.300 0.154 0.000 1.250 197 P CA -0.005 63.174 63.100 0.132 0.000 0.793 197 P CB 0.652 32.390 31.700 0.065 0.000 1.011 198 D N 0.028 120.449 120.400 0.035 0.000 2.269 198 D HA -0.103 4.537 4.640 0.000 0.000 0.208 198 D C 1.208 177.517 176.300 0.015 0.000 0.963 198 D CA 1.165 55.164 54.000 -0.002 0.000 0.864 198 D CB -0.509 40.230 40.800 -0.102 0.000 0.936 198 D HN 0.495 nan 8.370 nan 0.000 0.505 199 N N -0.206 118.501 118.700 0.012 0.000 2.313 199 N HA 0.121 4.861 4.740 0.000 0.000 0.207 199 N C 0.725 176.242 175.510 0.012 0.000 1.141 199 N CA 0.076 53.125 53.050 -0.002 0.000 0.830 199 N CB 0.513 38.995 38.487 -0.008 0.000 1.008 199 N HN 0.041 nan 8.380 nan 0.000 0.481 200 G N -1.358 107.467 108.800 0.041 0.000 5.473 200 G HA2 0.419 4.380 3.960 0.000 0.000 0.206 200 G HA3 0.419 4.380 3.960 0.000 0.000 0.206 200 G C -0.195 174.745 174.900 0.068 0.000 0.904 200 G CA -0.122 45.004 45.100 0.043 0.000 0.697 200 G HN 0.493 nan 8.290 nan 0.000 0.279 201 A N -0.241 122.645 122.820 0.110 0.000 2.507 201 A HA 0.602 4.922 4.320 0.000 0.000 0.235 201 A C 0.196 177.788 177.584 0.013 0.000 1.070 201 A CA 0.354 52.463 52.037 0.120 0.000 0.768 201 A CB 1.274 20.415 19.000 0.236 0.000 1.011 201 A HN 1.423 nan 8.150 nan 0.000 0.502 202 V N 1.267 121.146 119.914 -0.059 0.000 2.623 202 V HA 0.638 4.759 4.120 0.000 0.000 0.304 202 V C 0.162 176.174 176.094 -0.138 0.000 1.054 202 V CA 0.007 62.268 62.300 -0.065 0.000 0.882 202 V CB 1.494 33.296 31.823 -0.034 0.000 1.002 202 V HN 1.579 nan 8.190 nan 0.000 0.424 203 A N 6.142 128.885 122.820 -0.128 0.000 2.320 203 A HA 0.722 5.042 4.320 0.000 0.000 0.287 203 A C -0.522 176.984 177.584 -0.131 0.000 1.181 203 A CA -0.323 51.615 52.037 -0.166 0.000 0.831 203 A CB 0.949 19.838 19.000 -0.184 0.000 1.102 203 A HN 1.041 nan 8.150 nan 0.000 0.513 204 V N 4.824 124.662 119.914 -0.126 0.000 2.347 204 V HA 0.271 4.391 4.120 0.000 0.000 0.280 204 V C -0.103 175.944 176.094 -0.077 0.000 1.021 204 V CA -0.226 62.024 62.300 -0.084 0.000 0.847 204 V CB 0.900 32.685 31.823 -0.065 0.000 0.990 204 V HN 0.722 nan 8.190 nan 0.000 0.444 205 L N 5.524 126.709 121.223 -0.063 0.000 2.275 205 L HA 0.589 4.929 4.340 0.000 0.000 0.288 205 L C 0.014 176.888 176.870 0.006 0.000 1.046 205 L CA -0.497 54.318 54.840 -0.042 0.000 0.805 205 L CB 0.914 42.939 42.059 -0.057 0.000 1.193 205 L HN 0.527 nan 8.230 nan 0.000 0.426 206 K N 3.305 123.726 120.400 0.035 0.000 2.292 206 K HA 0.421 4.742 4.320 0.000 0.000 0.257 206 K C -1.510 175.184 176.600 0.157 0.000 0.940 206 K CA -0.667 55.666 56.287 0.077 0.000 0.811 206 K CB 2.543 35.072 32.500 0.048 0.000 1.120 206 K HN 0.387 nan 8.250 nan 0.000 0.428 207 Y N 3.322 123.632 120.300 0.017 0.000 2.328 207 Y HA 0.107 4.658 4.550 0.000 0.000 0.333 207 Y C 0.339 176.266 175.900 0.045 0.000 0.958 207 Y CA -0.359 57.754 58.100 0.021 0.000 1.167 207 Y CB 0.870 39.324 38.460 -0.010 0.000 1.151 207 Y HN 0.774 nan 8.280 nan 0.000 0.470 208 N N 4.217 122.774 118.700 -0.238 0.000 2.735 208 N HA -0.215 4.525 4.740 0.000 0.000 0.248 208 N C 0.734 176.252 175.510 0.014 0.000 1.083 208 N CA 1.626 54.600 53.050 -0.125 0.000 0.703 208 N CB -1.149 37.233 38.487 -0.175 0.000 1.005 208 N HN 1.374 nan 8.380 nan 0.000 0.550 209 G N -0.745 108.083 108.800 0.047 0.000 2.234 209 G HA2 -0.318 3.642 3.960 0.000 0.000 0.260 209 G HA3 -0.318 3.642 3.960 0.000 0.000 0.260 209 G C 0.317 175.259 174.900 0.071 0.000 0.987 209 G CA 0.661 45.798 45.100 0.062 0.000 0.625 209 G HN 1.049 nan 8.290 nan 0.000 0.532 210 I N -0.575 120.041 120.570 0.078 0.000 2.412 210 I HA 0.702 4.872 4.170 0.000 0.000 0.296 210 I C 0.656 176.820 176.117 0.078 0.000 0.987 210 I CA -1.547 59.798 61.300 0.075 0.000 1.180 210 I CB 1.136 39.179 38.000 0.072 0.000 1.340 210 I HN 0.036 nan 8.210 nan 0.000 0.455 211 I N 5.909 126.512 120.570 0.056 0.000 2.742 211 I HA -0.054 4.116 4.170 0.000 0.000 0.287 211 I C 1.339 177.477 176.117 0.036 0.000 1.186 211 I CA 0.494 61.818 61.300 0.039 0.000 1.417 211 I CB 0.806 38.820 38.000 0.024 0.000 1.377 211 I HN 0.866 nan 8.210 nan 0.000 0.556 212 T N -0.159 114.413 114.554 0.030 0.000 2.971 212 T HA 0.217 4.567 4.350 0.000 0.000 0.252 212 T C 0.194 174.882 174.700 -0.020 0.000 1.022 212 T CA -0.177 61.928 62.100 0.008 0.000 0.980 212 T CB 0.483 69.355 68.868 0.006 0.000 1.044 212 T HN 0.608 nan 8.240 nan 0.000 0.501 213 D N -0.941 119.445 120.400 -0.024 0.000 2.738 213 D HA 0.497 5.137 4.640 0.000 0.000 0.308 213 D C -1.768 174.507 176.300 -0.042 0.000 1.311 213 D CA -0.160 53.818 54.000 -0.036 0.000 0.799 213 D CB 1.740 42.510 40.800 -0.051 0.000 1.332 213 D HN -0.012 nan 8.370 nan 0.000 0.441 214 T N 0.582 115.110 114.554 -0.044 0.000 2.982 214 T HA 0.632 4.982 4.350 0.000 0.000 0.321 214 T C -1.017 173.655 174.700 -0.047 0.000 1.229 214 T CA -0.415 61.657 62.100 -0.048 0.000 1.044 214 T CB 0.839 69.690 68.868 -0.027 0.000 1.184 214 T HN 0.249 nan 8.240 nan 0.000 0.477 215 I N 2.920 123.452 120.570 -0.063 0.000 2.447 215 I HA 0.445 4.615 4.170 0.000 0.000 0.287 215 I C -0.321 175.814 176.117 0.030 0.000 1.023 215 I CA -0.904 60.379 61.300 -0.029 0.000 1.083 215 I CB 2.140 40.049 38.000 -0.151 0.000 1.245 215 I HN 0.282 nan 8.210 nan 0.000 0.434 216 K N 3.319 123.776 120.400 0.095 0.000 2.130 216 K HA 0.355 4.675 4.320 0.000 0.000 0.268 216 K C 0.061 176.782 176.600 0.200 0.000 0.983 216 K CA -0.450 55.900 56.287 0.106 0.000 0.893 216 K CB 1.712 34.265 32.500 0.088 0.000 1.066 216 K HN 0.534 nan 8.250 nan 0.000 0.450 217 S N 1.954 117.722 115.700 0.113 0.000 2.563 217 S HA -0.070 4.400 4.470 0.000 0.000 0.294 217 S C 0.291 174.955 174.600 0.106 0.000 1.279 217 S CA 0.017 58.231 58.200 0.023 0.000 1.069 217 S CB 0.144 63.312 63.200 -0.054 0.000 0.828 217 S HN 0.699 nan 8.310 nan 0.000 0.497 218 W N 5.369 126.688 121.300 0.033 0.000 3.127 218 W HA 0.533 5.193 4.660 0.000 0.000 0.344 218 W C 1.038 177.557 176.519 0.001 0.000 1.151 218 W CA -0.670 56.686 57.345 0.018 0.000 1.765 218 W CB 0.254 29.726 29.460 0.020 0.000 1.085 218 W HN 0.475 nan 8.180 nan 0.000 0.596 219 R N 0.840 121.096 120.500 -0.407 0.000 2.517 219 R HA 0.063 4.403 4.340 0.000 0.000 0.265 219 R C 0.137 176.325 176.300 -0.186 0.000 0.921 219 R CA 0.185 56.108 56.100 -0.295 0.000 1.054 219 R CB -0.742 29.291 30.300 -0.446 0.000 1.340 219 R HN 0.140 nan 8.270 nan 0.000 0.551 220 N N 1.938 120.537 118.700 -0.170 0.000 2.740 220 N HA -0.205 4.535 4.740 0.000 0.000 0.248 220 N C -0.624 174.828 175.510 -0.097 0.000 1.062 220 N CA 0.769 53.763 53.050 -0.093 0.000 0.704 220 N CB -1.399 37.059 38.487 -0.048 0.000 0.968 220 N HN 0.214 nan 8.380 nan 0.000 0.547 221 N N 0.701 119.319 118.700 -0.137 0.000 2.722 221 N HA 0.277 5.017 4.740 0.000 0.000 0.242 221 N C -0.193 175.261 175.510 -0.093 0.000 1.398 221 N CA -0.392 52.592 53.050 -0.110 0.000 0.755 221 N CB -0.109 38.303 38.487 -0.125 0.000 1.268 221 N HN 0.299 nan 8.380 nan 0.000 0.522 222 I N 0.624 121.174 120.570 -0.033 0.000 7.004 222 I HA -0.325 3.845 4.170 0.000 0.000 0.126 222 I C -0.105 176.079 176.117 0.112 0.000 1.826 222 I CA 0.020 61.348 61.300 0.047 0.000 2.066 222 I CB -0.853 37.126 38.000 -0.035 0.000 3.565 222 I HN 0.346 nan 8.210 nan 0.000 0.178 223 L N 5.617 126.898 121.223 0.096 0.000 2.601 223 L HA 0.201 4.541 4.340 0.000 0.000 0.277 223 L C 0.894 177.866 176.870 0.170 0.000 1.219 223 L CA 0.946 55.794 54.840 0.013 0.000 0.915 223 L CB 0.183 42.223 42.059 -0.032 0.000 1.160 223 L HN 0.490 nan 8.230 nan 0.000 0.494 224 R N 2.490 123.072 120.500 0.137 0.000 2.799 224 R HA 0.757 5.097 4.340 0.000 0.000 0.270 224 R C -0.795 175.594 176.300 0.148 0.000 1.010 224 R CA -0.800 55.416 56.100 0.192 0.000 0.916 224 R CB 1.507 31.957 30.300 0.249 0.000 1.228 224 R HN 0.551 nan 8.270 nan 0.000 0.469 225 T N -1.264 113.370 114.554 0.133 0.000 2.573 225 T HA 0.156 4.506 4.350 0.000 0.000 0.259 225 T C 0.722 175.492 174.700 0.116 0.000 0.886 225 T CA -0.386 61.782 62.100 0.115 0.000 1.110 225 T CB 1.417 70.315 68.868 0.050 0.000 1.421 225 T HN 0.674 nan 8.240 nan 0.000 0.523 226 Q N 0.122 119.968 119.800 0.077 0.000 2.045 226 Q HA -0.119 4.221 4.340 0.000 0.000 0.206 226 Q C -0.128 175.913 176.000 0.069 0.000 0.991 226 Q CA 1.836 57.674 55.803 0.058 0.000 0.851 226 Q CB -0.036 28.699 28.738 -0.004 0.000 0.911 226 Q HN 0.610 nan 8.270 nan 0.000 0.418 227 E N -0.717 119.492 120.200 0.015 0.000 3.057 227 E HA -0.137 4.214 4.350 0.000 0.000 0.296 227 E C -0.708 175.865 176.600 -0.045 0.000 0.943 227 E CA 1.117 57.603 56.400 0.143 0.000 0.965 227 E CB -2.074 27.846 29.700 0.368 0.000 1.485 227 E HN 0.472 nan 8.360 nan 0.000 0.417 228 S N -2.019 113.271 115.700 -0.682 0.000 2.636 228 S HA 0.395 4.865 4.470 0.000 0.000 0.266 228 S C -0.389 173.599 174.600 -1.021 0.000 1.147 228 S CA -0.717 56.901 58.200 -0.970 0.000 0.815 228 S CB 2.149 65.455 63.200 0.176 0.000 1.119 228 S HN 0.164 nan 8.310 nan 0.000 0.470 229 E N 0.245 120.171 120.200 -0.458 0.000 2.502 229 E HA 0.182 4.532 4.350 0.000 0.000 0.261 229 E C 0.370 176.981 176.600 0.019 0.000 0.974 229 E CA -0.164 56.201 56.400 -0.057 0.000 0.936 229 E CB 0.021 29.897 29.700 0.293 0.000 0.926 229 E HN 0.726 nan 8.360 nan 0.000 0.459 230 c N 2.567 121.200 118.600 0.055 0.000 2.517 230 c HA 0.871 5.441 4.570 0.000 0.000 0.357 230 c C 0.358 174.567 174.090 0.198 0.000 1.485 230 c CA -0.598 55.805 56.329 0.124 0.000 2.148 230 c CB 0.133 42.710 42.510 0.112 0.000 2.019 230 c HN 0.767 nan 8.230 nan 0.000 0.576 231 A N -0.763 122.207 122.820 0.249 0.000 2.356 231 A HA 0.705 5.025 4.320 0.000 0.000 0.310 231 A C -0.765 177.021 177.584 0.336 0.000 1.075 231 A CA -0.280 51.918 52.037 0.269 0.000 0.746 231 A CB 0.466 19.599 19.000 0.221 0.000 1.221 231 A HN 1.028 nan 8.150 nan 0.000 0.443 232 c N 1.320 120.075 118.600 0.259 0.000 2.456 232 c HA 0.863 5.433 4.570 0.000 0.000 0.325 232 c C -0.208 174.024 174.090 0.238 0.000 1.217 232 c CA -0.535 55.935 56.329 0.236 0.000 1.687 232 c CB 1.024 43.608 42.510 0.123 0.000 2.270 232 c HN 0.690 nan 8.230 nan 0.000 0.499 233 V N 2.651 122.735 119.914 0.284 0.000 2.817 233 V HA 0.460 4.580 4.120 0.000 0.000 0.303 233 V C -0.069 176.134 176.094 0.182 0.000 1.151 233 V CA -0.447 61.982 62.300 0.216 0.000 0.929 233 V CB 1.827 33.777 31.823 0.212 0.000 1.030 233 V HN 0.971 nan 8.190 nan 0.000 0.427 234 N N 3.227 121.991 118.700 0.106 0.000 2.727 234 N HA -0.184 4.556 4.740 0.000 0.000 0.249 234 N C 0.977 176.519 175.510 0.053 0.000 1.048 234 N CA 1.915 55.010 53.050 0.075 0.000 0.714 234 N CB -0.962 37.576 38.487 0.085 0.000 0.959 234 N HN 2.078 nan 8.380 nan 0.000 0.544 235 G N -2.322 106.500 108.800 0.037 0.000 2.155 235 G HA2 -0.252 3.708 3.960 0.000 0.000 0.257 235 G HA3 -0.252 3.708 3.960 0.000 0.000 0.257 235 G C -0.082 174.793 174.900 -0.041 0.000 0.983 235 G CA 0.553 45.651 45.100 -0.002 0.000 0.676 235 G HN 0.825 nan 8.290 nan 0.000 0.528 236 S N -0.931 114.749 115.700 -0.034 0.000 2.521 236 S HA 0.669 5.139 4.470 0.000 0.000 0.295 236 S C -0.010 174.397 174.600 -0.323 0.000 1.098 236 S CA -0.410 57.661 58.200 -0.216 0.000 0.999 236 S CB 2.246 65.302 63.200 -0.239 0.000 1.034 236 S HN 0.565 nan 8.310 nan 0.000 0.483 237 c N 2.968 121.295 118.600 -0.454 0.000 2.411 237 c HA 0.776 5.346 4.570 0.000 0.000 0.330 237 c C -0.700 173.087 174.090 -0.506 0.000 1.224 237 c CA -0.810 55.349 56.329 -0.282 0.000 1.770 237 c CB -0.369 42.099 42.510 -0.070 0.000 2.297 237 c HN 0.803 nan 8.230 nan 0.000 0.507 238 F N 0.746 120.791 119.950 0.158 0.000 2.546 238 F HA 0.755 5.282 4.527 0.000 0.000 0.320 238 F C 0.481 176.406 175.800 0.209 0.000 1.076 238 F CA -0.460 57.670 58.000 0.216 0.000 0.928 238 F CB 1.906 41.150 39.000 0.407 0.000 1.189 238 F HN 0.518 nan 8.300 nan 0.000 0.465 239 T N 0.748 115.527 114.554 0.375 0.000 2.816 239 T HA 0.749 5.099 4.350 0.000 0.000 0.299 239 T C -2.030 172.846 174.700 0.294 0.000 1.230 239 T CA -0.526 61.742 62.100 0.280 0.000 1.007 239 T CB 1.602 70.562 68.868 0.155 0.000 1.289 239 T HN 0.378 nan 8.240 nan 0.000 0.508 240 V N 3.439 123.502 119.914 0.247 0.000 2.588 240 V HA 0.638 4.758 4.120 0.000 0.000 0.304 240 V C -0.419 175.838 176.094 0.271 0.000 1.042 240 V CA -0.655 61.783 62.300 0.231 0.000 0.877 240 V CB 1.634 33.550 31.823 0.155 0.000 0.996 240 V HN 0.845 nan 8.190 nan 0.000 0.425 241 M N 2.708 122.545 119.600 0.395 0.000 2.591 241 M HA 0.633 5.113 4.480 0.000 0.000 0.306 241 M C -0.633 175.951 176.300 0.474 0.000 1.190 241 M CA -0.443 55.104 55.300 0.411 0.000 0.889 241 M CB 2.767 35.653 32.600 0.476 0.000 1.728 241 M HN 0.539 nan 8.290 nan 0.000 0.458 242 T N 0.390 115.138 114.554 0.324 0.000 2.876 242 T HA 0.486 4.836 4.350 0.000 0.000 0.289 242 T C -1.608 173.044 174.700 -0.080 0.000 1.014 242 T CA -0.556 61.680 62.100 0.226 0.000 0.986 242 T CB 1.724 70.746 68.868 0.257 0.000 1.021 242 T HN 0.533 nan 8.240 nan 0.000 0.458 243 D N 0.521 120.716 120.400 -0.341 0.000 2.855 243 D HA 0.647 5.287 4.640 0.000 0.000 0.241 243 D C -0.091 175.957 176.300 -0.420 0.000 1.277 243 D CA 0.348 53.988 54.000 -0.599 0.000 0.918 243 D CB 1.519 41.419 40.800 -1.501 0.000 1.462 243 D HN 0.963 nan 8.370 nan 0.000 0.559 244 G N 2.870 111.514 108.800 -0.260 0.000 2.369 244 G HA2 0.113 4.073 3.960 0.000 0.000 0.295 244 G HA3 0.113 4.073 3.960 0.000 0.000 0.295 244 G C -2.987 171.855 174.900 -0.096 0.000 1.298 244 G CA -0.906 44.080 45.100 -0.190 0.000 0.940 244 G HN 0.347 nan 8.290 nan 0.000 0.536 245 P HA 0.199 nan 4.420 nan 0.000 0.270 245 P C 0.867 178.207 177.300 0.065 0.000 1.223 245 P CA 0.691 63.756 63.100 -0.058 0.000 0.785 245 P CB 1.168 32.782 31.700 -0.144 0.000 0.923 246 S N -0.267 115.472 115.700 0.064 0.000 2.575 246 S HA 0.075 4.545 4.470 0.000 0.000 0.215 246 S C 0.754 175.351 174.600 -0.005 0.000 0.966 246 S CA -0.256 58.053 58.200 0.181 0.000 0.911 246 S CB -0.495 62.799 63.200 0.156 0.000 0.780 246 S HN 0.306 nan 8.310 nan 0.000 0.514 247 N N 2.023 120.619 118.700 -0.172 0.000 2.616 247 N HA 0.379 5.119 4.740 0.000 0.000 0.278 247 N C 1.122 176.031 175.510 -1.003 0.000 1.309 247 N CA 0.138 52.970 53.050 -0.364 0.000 0.806 247 N CB -1.188 37.149 38.487 -0.251 0.000 1.157 247 N HN 0.336 nan 8.380 nan 0.000 0.401 248 G N 0.785 108.797 108.800 -1.314 0.000 2.641 248 G HA2 -0.142 3.818 3.960 0.000 0.000 0.310 248 G HA3 -0.142 3.818 3.960 0.000 0.000 0.310 248 G C 0.106 174.010 174.900 -1.661 0.000 1.291 248 G CA 0.018 43.769 45.100 -2.248 0.000 1.133 248 G HN 0.278 nan 8.290 nan 0.000 0.660 249 Q N -0.698 118.248 119.800 -1.423 0.000 2.485 249 Q HA 0.253 4.593 4.340 0.000 0.000 0.348 249 Q C 0.548 176.442 176.000 -0.176 0.000 1.097 249 Q CA 1.000 56.572 55.803 -0.384 0.000 1.079 249 Q CB 0.308 28.989 28.738 -0.094 0.000 1.108 249 Q HN 0.793 nan 8.270 nan 0.000 0.400 250 A N 2.388 125.207 122.820 -0.001 0.000 2.475 250 A HA 0.720 5.040 4.320 0.000 0.000 0.281 250 A C -0.775 176.406 177.584 -0.672 0.000 1.263 250 A CA -0.348 51.553 52.037 -0.226 0.000 0.776 250 A CB 1.879 20.841 19.000 -0.064 0.000 1.347 250 A HN 0.560 nan 8.150 nan 0.000 0.443 251 S N -0.972 114.322 115.700 -0.676 0.000 2.472 251 S HA 0.755 5.225 4.470 0.000 0.000 0.303 251 S C -1.718 172.516 174.600 -0.610 0.000 1.099 251 S CA -0.325 57.549 58.200 -0.542 0.000 1.077 251 S CB 0.259 63.493 63.200 0.057 0.000 1.031 251 S HN 0.486 nan 8.310 nan 0.000 0.487 252 Y N 2.194 122.627 120.300 0.221 0.000 2.406 252 Y HA 0.602 5.152 4.550 0.000 0.000 0.340 252 Y C 0.036 175.915 175.900 -0.035 0.000 0.975 252 Y CA -1.017 57.167 58.100 0.140 0.000 1.056 252 Y CB 1.536 39.987 38.460 -0.015 0.000 1.210 252 Y HN 0.428 nan 8.280 nan 0.000 0.448 253 K N 3.349 123.797 120.400 0.079 0.000 2.385 253 K HA 0.717 5.037 4.320 0.000 0.000 0.248 253 K C -1.358 175.039 176.600 -0.340 0.000 0.955 253 K CA -0.837 55.250 56.287 -0.333 0.000 0.816 253 K CB 2.879 34.922 32.500 -0.761 0.000 1.250 253 K HN 0.584 nan 8.250 nan 0.000 0.434 254 I N 2.175 122.404 120.570 -0.569 0.000 2.404 254 I HA 0.384 4.554 4.170 0.000 0.000 0.293 254 I C -0.899 174.880 176.117 -0.564 0.000 0.992 254 I CA -0.749 60.261 61.300 -0.482 0.000 1.149 254 I CB 0.796 38.331 38.000 -0.775 0.000 1.315 254 I HN 0.331 nan 8.210 nan 0.000 0.446 255 F N 4.507 124.375 119.950 -0.138 0.000 2.508 255 F HA 0.503 5.030 4.527 0.000 0.000 0.325 255 F C 0.145 175.921 175.800 -0.040 0.000 1.090 255 F CA -0.757 57.187 58.000 -0.094 0.000 0.945 255 F CB 1.711 40.666 39.000 -0.075 0.000 1.156 255 F HN 0.284 nan 8.300 nan 0.000 0.463 256 K N 5.237 125.684 120.400 0.078 0.000 2.323 256 K HA 0.711 5.032 4.320 0.000 0.000 0.259 256 K C -1.238 175.262 176.600 -0.166 0.000 0.947 256 K CA -0.624 55.583 56.287 -0.133 0.000 0.819 256 K CB 1.000 33.492 32.500 -0.012 0.000 1.109 256 K HN 0.795 nan 8.250 nan 0.000 0.429 257 M N 1.676 121.095 119.600 -0.303 0.000 2.446 257 M HA 0.480 4.960 4.480 0.000 0.000 0.294 257 M C -1.458 174.690 176.300 -0.253 0.000 1.158 257 M CA -0.836 54.338 55.300 -0.211 0.000 0.899 257 M CB 2.270 34.785 32.600 -0.140 0.000 1.687 257 M HN 0.428 nan 8.290 nan 0.000 0.455 258 E N 1.521 121.587 120.200 -0.225 0.000 2.224 258 E HA 0.412 4.763 4.350 0.000 0.000 0.265 258 E C -1.163 175.219 176.600 -0.365 0.000 0.878 258 E CA -0.807 55.443 56.400 -0.251 0.000 0.759 258 E CB 1.994 31.583 29.700 -0.185 0.000 1.164 258 E HN 0.711 nan 8.360 nan 0.000 0.414 259 K N 1.637 121.664 120.400 -0.622 0.000 3.096 259 K HA -0.266 4.054 4.320 0.000 0.000 0.266 259 K C 0.608 176.677 176.600 -0.886 0.000 1.043 259 K CA 0.517 56.052 56.287 -1.252 0.000 0.758 259 K CB -1.565 30.511 32.500 -0.707 0.000 1.260 259 K HN 1.102 nan 8.250 nan 0.000 0.481 260 G N 0.330 108.823 108.800 -0.512 0.000 2.155 260 G HA2 -0.384 3.576 3.960 0.000 0.000 0.257 260 G HA3 -0.384 3.576 3.960 0.000 0.000 0.257 260 G C -0.062 174.756 174.900 -0.137 0.000 0.983 260 G CA 1.023 46.028 45.100 -0.159 0.000 0.676 260 G HN 0.423 nan 8.290 nan 0.000 0.528 261 K N 0.228 120.522 120.400 -0.177 0.000 2.221 261 K HA 0.608 4.928 4.320 0.000 0.000 0.258 261 K C 0.323 176.864 176.600 -0.098 0.000 0.944 261 K CA -0.851 55.365 56.287 -0.118 0.000 0.823 261 K CB 1.722 34.153 32.500 -0.115 0.000 1.113 261 K HN -0.005 nan 8.250 nan 0.000 0.431 262 V N 5.380 125.260 119.914 -0.055 0.000 2.479 262 V HA -0.006 4.114 4.120 0.000 0.000 0.281 262 V C 1.053 177.132 176.094 -0.024 0.000 1.031 262 V CA 0.002 62.297 62.300 -0.009 0.000 1.038 262 V CB 0.894 32.755 31.823 0.064 0.000 0.981 262 V HN 0.758 nan 8.190 nan 0.000 0.478 263 V N 1.747 121.639 119.914 -0.037 0.000 3.645 263 V HA 0.491 4.611 4.120 0.000 0.000 0.275 263 V C 0.365 176.439 176.094 -0.033 0.000 1.356 263 V CA 0.326 62.600 62.300 -0.042 0.000 1.051 263 V CB -0.177 31.612 31.823 -0.058 0.000 0.828 263 V HN 0.784 nan 8.190 nan 0.000 0.441 264 K N 0.824 121.207 120.400 -0.029 0.000 2.589 264 K HA 0.556 4.876 4.320 0.000 0.000 0.265 264 K C -1.293 175.241 176.600 -0.110 0.000 0.935 264 K CA 0.401 56.656 56.287 -0.054 0.000 0.850 264 K CB 2.144 34.623 32.500 -0.034 0.000 1.372 264 K HN 0.465 nan 8.250 nan 0.000 0.420 265 S N 0.866 116.440 115.700 -0.209 0.000 2.569 265 S HA 0.811 5.281 4.470 0.000 0.000 0.280 265 S C -1.279 173.082 174.600 -0.399 0.000 1.111 265 S CA -0.700 57.228 58.200 -0.454 0.000 0.887 265 S CB 2.108 64.928 63.200 -0.633 0.000 1.095 265 S HN 0.249 nan 8.310 nan 0.000 0.476 266 V N 1.562 121.183 119.914 -0.489 0.000 2.711 266 V HA 0.472 4.593 4.120 0.000 0.000 0.304 266 V C -0.593 175.256 176.094 -0.409 0.000 1.097 266 V CA -0.612 61.486 62.300 -0.338 0.000 0.906 266 V CB 1.708 33.420 31.823 -0.185 0.000 1.015 266 V HN 1.054 nan 8.190 nan 0.000 0.427 267 E N 4.562 124.567 120.200 -0.324 0.000 2.259 267 E HA 0.526 4.876 4.350 0.000 0.000 0.281 267 E C -0.892 175.572 176.600 -0.225 0.000 1.027 267 E CA -0.567 55.657 56.400 -0.294 0.000 0.838 267 E CB 1.058 30.614 29.700 -0.240 0.000 1.066 267 E HN 0.609 nan 8.360 nan 0.000 0.401 268 L N 3.625 124.676 121.223 -0.287 0.000 2.426 268 L HA 0.133 4.473 4.340 0.000 0.000 0.271 268 L C 0.304 177.134 176.870 -0.066 0.000 1.169 268 L CA -0.164 54.443 54.840 -0.388 0.000 0.836 268 L CB 0.500 42.253 42.059 -0.510 0.000 1.112 268 L HN 0.641 nan 8.230 nan 0.000 0.465 269 D N 2.730 123.153 120.400 0.037 0.000 2.564 269 D HA 0.323 4.963 4.640 0.000 0.000 0.226 269 D C -0.048 176.279 176.300 0.045 0.000 1.149 269 D CA -0.226 53.822 54.000 0.081 0.000 0.994 269 D CB 0.692 41.557 40.800 0.109 0.000 1.029 269 D HN 0.514 nan 8.370 nan 0.000 0.517 270 A N 4.033 126.901 122.820 0.080 0.000 3.257 270 A HA 0.363 4.683 4.320 0.000 0.000 0.308 270 A C -2.316 175.426 177.584 0.264 0.000 1.175 270 A CA -1.213 50.825 52.037 0.001 0.000 1.018 270 A CB 0.014 19.048 19.000 0.057 0.000 1.088 270 A HN 0.338 nan 8.150 nan 0.000 0.567 271 P HA -0.015 nan 4.420 nan 0.000 0.264 271 P C 0.233 177.814 177.300 0.468 0.000 1.193 271 P CA 0.759 64.055 63.100 0.326 0.000 0.763 271 P CB 0.658 32.485 31.700 0.213 0.000 0.810 272 N N 0.609 119.646 118.700 0.561 0.000 2.965 272 N HA -0.199 4.541 4.740 0.000 0.000 0.232 272 N C -0.978 174.843 175.510 0.519 0.000 0.913 272 N CA 1.184 54.533 53.050 0.498 0.000 0.981 272 N CB -1.860 36.756 38.487 0.214 0.000 1.077 272 N HN 0.347 nan 8.380 nan 0.000 0.589 273 Y N 0.557 121.127 120.300 0.450 0.000 2.432 273 Y HA 0.589 5.139 4.550 0.000 0.000 0.322 273 Y C 0.755 176.934 175.900 0.465 0.000 1.246 273 Y CA -0.365 57.961 58.100 0.377 0.000 1.268 273 Y CB 1.072 39.678 38.460 0.244 0.000 1.276 273 Y HN 0.096 nan 8.280 nan 0.000 0.499 274 H N 1.803 120.938 119.070 0.107 0.000 3.017 274 H HA 0.286 4.842 4.556 0.000 0.000 0.340 274 H C -1.989 173.080 175.328 -0.432 0.000 1.014 274 H CA -0.567 55.516 56.048 0.059 0.000 1.341 274 H CB 0.882 30.848 29.762 0.341 0.000 1.739 274 H HN 0.659 nan 8.280 nan 0.000 0.506 275 Y N 2.725 122.558 120.300 -0.779 0.000 2.364 275 Y HA 0.402 4.952 4.550 0.000 0.000 0.340 275 Y C 0.060 175.818 175.900 -0.237 0.000 0.975 275 Y CA -0.447 57.361 58.100 -0.488 0.000 1.089 275 Y CB 1.993 40.108 38.460 -0.575 0.000 1.192 275 Y HN 0.559 nan 8.280 nan 0.000 0.454 276 E N 1.034 121.252 120.200 0.031 0.000 2.390 276 E HA 0.208 4.558 4.350 0.000 0.000 0.280 276 E C -1.312 175.337 176.600 0.080 0.000 0.992 276 E CA -1.038 55.407 56.400 0.074 0.000 0.790 276 E CB 1.854 31.592 29.700 0.063 0.000 1.248 276 E HN 0.686 nan 8.360 nan 0.000 0.447 277 E N -0.000 120.262 120.200 0.105 0.000 2.149 277 E HA -0.250 4.100 4.350 0.000 0.000 0.191 277 E C -0.714 175.938 176.600 0.087 0.000 1.384 277 E CA 0.145 56.601 56.400 0.093 0.000 0.698 277 E CB -1.783 27.935 29.700 0.030 0.000 1.086 277 E HN 0.305 nan 8.360 nan 0.000 0.338 278 c N 1.270 119.943 118.600 0.122 0.000 2.662 278 c HA 0.183 4.753 4.570 0.000 0.000 0.420 278 c C 1.239 175.413 174.090 0.142 0.000 1.314 278 c CA -0.211 56.203 56.329 0.143 0.000 1.963 278 c CB 0.725 43.340 42.510 0.176 0.000 2.686 278 c HN 0.437 nan 8.230 nan 0.000 0.609 279 S N 1.881 117.676 115.700 0.158 0.000 2.532 279 S HA 0.354 4.825 4.470 0.000 0.000 0.318 279 S C -0.261 174.463 174.600 0.207 0.000 1.083 279 S CA -0.428 57.881 58.200 0.181 0.000 1.131 279 S CB 0.135 63.447 63.200 0.187 0.000 0.973 279 S HN 0.836 nan 8.310 nan 0.000 0.468 280 c N 3.440 122.158 118.600 0.197 0.000 2.358 280 c HA 0.879 5.449 4.570 0.000 0.000 0.354 280 c C -0.390 173.849 174.090 0.247 0.000 1.183 280 c CA -0.924 55.491 56.329 0.144 0.000 2.150 280 c CB -0.199 42.386 42.510 0.125 0.000 2.361 280 c HN 0.897 nan 8.230 nan 0.000 0.535 281 Y N -0.308 120.052 120.300 0.100 0.000 2.592 281 Y HA 0.720 5.270 4.550 0.000 0.000 0.334 281 Y C -3.229 172.700 175.900 0.048 0.000 1.136 281 Y CA -2.665 55.517 58.100 0.136 0.000 1.042 281 Y CB 0.722 39.336 38.460 0.255 0.000 1.325 281 Y HN 0.456 nan 8.280 nan 0.000 0.457 282 P HA 0.297 nan 4.420 nan 0.000 0.286 282 P C -1.328 176.046 177.300 0.124 0.000 1.261 282 P CA -0.250 62.884 63.100 0.056 0.000 0.821 282 P CB 1.802 33.561 31.700 0.097 0.000 1.013 283 N N 1.375 120.066 118.700 -0.016 0.000 2.503 283 N HA 0.327 5.067 4.740 0.000 0.000 0.287 283 N C -0.472 175.002 175.510 -0.060 0.000 1.096 283 N CA -0.032 53.020 53.050 0.003 0.000 0.936 283 N CB 1.203 39.709 38.487 0.032 0.000 1.570 283 N HN 0.502 nan 8.380 nan 0.000 0.504 284 A N 2.315 125.114 122.820 -0.036 0.000 2.596 284 A HA 0.004 4.324 4.320 0.000 0.000 0.300 284 A C 1.415 178.968 177.584 -0.051 0.000 1.495 284 A CA 2.263 54.276 52.037 -0.041 0.000 0.769 284 A CB -2.083 16.887 19.000 -0.050 0.000 1.047 284 A HN 2.057 nan 8.150 nan 0.000 0.436 285 G N -2.179 106.595 108.800 -0.044 0.000 2.162 285 G HA2 -0.218 3.742 3.960 0.000 0.000 0.260 285 G HA3 -0.218 3.742 3.960 0.000 0.000 0.260 285 G C -0.179 174.653 174.900 -0.113 0.000 0.976 285 G CA 0.946 46.017 45.100 -0.047 0.000 0.655 285 G HN 1.339 nan 8.290 nan 0.000 0.533 286 E N -1.004 119.091 120.200 -0.176 0.000 2.392 286 E HA 0.696 5.046 4.350 0.000 0.000 0.269 286 E C -1.000 175.339 176.600 -0.434 0.000 0.924 286 E CA -1.173 55.046 56.400 -0.303 0.000 0.784 286 E CB 1.755 31.306 29.700 -0.247 0.000 1.292 286 E HN 0.088 nan 8.360 nan 0.000 0.447 287 I N 0.922 121.053 120.570 -0.732 0.000 2.412 287 I HA 0.249 4.419 4.170 0.000 0.000 0.296 287 I C -0.209 175.400 176.117 -0.847 0.000 0.987 287 I CA -0.191 60.598 61.300 -0.852 0.000 1.180 287 I CB 1.888 39.199 38.000 -1.147 0.000 1.340 287 I HN 0.327 nan 8.210 nan 0.000 0.455 288 T N 4.422 118.512 114.554 -0.774 0.000 2.812 288 T HA 0.503 4.853 4.350 0.000 0.000 0.282 288 T C -0.941 173.513 174.700 -0.409 0.000 0.990 288 T CA -0.411 61.322 62.100 -0.612 0.000 0.960 288 T CB 0.811 69.174 68.868 -0.843 0.000 0.948 288 T HN 0.522 nan 8.240 nan 0.000 0.438 289 c N 3.251 121.835 118.600 -0.027 0.000 2.369 289 c HA 0.718 5.288 4.570 0.000 0.000 0.322 289 c C 0.155 174.415 174.090 0.283 0.000 1.258 289 c CA -0.879 55.530 56.329 0.134 0.000 1.487 289 c CB 0.570 43.196 42.510 0.194 0.000 2.165 289 c HN 0.705 nan 8.230 nan 0.000 0.483 290 V N 2.834 122.901 119.914 0.255 0.000 2.435 290 V HA 0.580 4.700 4.120 0.000 0.000 0.290 290 V C 0.235 176.421 176.094 0.152 0.000 1.030 290 V CA -0.059 62.385 62.300 0.240 0.000 0.881 290 V CB 1.050 32.992 31.823 0.197 0.000 0.983 290 V HN 1.163 nan 8.190 nan 0.000 0.445 291 c N 3.446 122.101 118.600 0.091 0.000 3.704 291 c HA 0.747 5.317 4.570 0.000 0.000 0.338 291 c C 0.069 174.128 174.090 -0.052 0.000 3.585 291 c CA -0.997 55.357 56.329 0.043 0.000 1.633 291 c CB 1.557 44.135 42.510 0.113 0.000 4.025 291 c HN 0.892 nan 8.230 nan 0.000 0.531 292 R N 1.156 121.619 120.500 -0.061 0.000 2.476 292 R HA 0.422 4.762 4.340 0.000 0.000 0.305 292 R C -1.970 174.314 176.300 -0.027 0.000 0.965 292 R CA -0.022 56.038 56.100 -0.065 0.000 0.867 292 R CB 1.091 31.349 30.300 -0.071 0.000 1.176 292 R HN 0.817 nan 8.270 nan 0.000 0.447 293 D N 3.192 123.595 120.400 0.005 0.000 2.396 293 D HA 0.082 4.723 4.640 0.000 0.000 0.225 293 D C -0.159 176.260 176.300 0.199 0.000 1.121 293 D CA -0.217 53.882 54.000 0.165 0.000 0.853 293 D CB 1.279 42.179 40.800 0.167 0.000 1.043 293 D HN 0.671 nan 8.370 nan 0.000 0.500 294 N N 3.118 122.038 118.700 0.367 0.000 2.353 294 N HA 0.012 4.752 4.740 0.000 0.000 0.185 294 N C 0.931 176.469 175.510 0.047 0.000 1.098 294 N CA 0.042 53.191 53.050 0.164 0.000 0.872 294 N CB 0.126 38.757 38.487 0.240 0.000 0.970 294 N HN 0.500 nan 8.380 nan 0.000 0.467 295 W N 1.035 122.059 121.300 -0.461 0.000 2.560 295 W HA 0.091 4.751 4.660 0.000 0.000 0.303 295 W C -0.132 176.218 176.519 -0.281 0.000 1.151 295 W CA 1.606 58.599 57.345 -0.586 0.000 1.426 295 W CB -0.388 28.418 29.460 -1.089 0.000 1.135 295 W HN 0.297 nan 8.180 nan 0.000 0.522 296 H N -1.736 117.182 119.070 -0.253 0.000 3.385 296 H HA 0.533 5.089 4.556 0.000 0.000 0.205 296 H C -0.496 174.626 175.328 -0.342 0.000 1.317 296 H CA -1.112 54.704 56.048 -0.386 0.000 1.289 296 H CB -0.342 28.985 29.762 -0.726 0.000 2.427 296 H HN 0.079 nan 8.280 nan 0.000 0.522 297 G N -0.474 108.327 108.800 0.002 0.000 2.739 297 G HA2 0.430 4.390 3.960 0.000 0.000 0.291 297 G HA3 0.430 4.390 3.960 0.000 0.000 0.291 297 G C -0.023 174.839 174.900 -0.062 0.000 1.478 297 G CA -0.535 44.530 45.100 -0.058 0.000 1.062 297 G HN 0.171 nan 8.290 nan 0.000 0.532 298 S N 0.908 116.505 115.700 -0.172 0.000 2.458 298 S HA 0.015 4.485 4.470 0.000 0.000 0.223 298 S C 1.227 175.781 174.600 -0.077 0.000 1.019 298 S CA 0.113 58.198 58.200 -0.191 0.000 0.937 298 S CB -0.064 62.861 63.200 -0.459 0.000 0.788 298 S HN 0.833 nan 8.310 nan 0.000 0.511 299 N N 1.680 120.367 118.700 -0.023 0.000 2.489 299 N HA 0.231 4.971 4.740 0.000 0.000 0.284 299 N C -0.719 174.861 175.510 0.117 0.000 1.158 299 N CA -0.501 52.622 53.050 0.122 0.000 0.965 299 N CB 0.552 39.148 38.487 0.182 0.000 1.195 299 N HN 0.018 nan 8.380 nan 0.000 0.506 300 R N 0.258 120.776 120.500 0.031 0.000 2.357 300 R HA 0.398 4.738 4.340 0.000 0.000 0.296 300 R C -1.992 174.124 176.300 -0.307 0.000 1.052 300 R CA -1.435 54.608 56.100 -0.095 0.000 0.988 300 R CB 1.020 31.271 30.300 -0.082 0.000 1.025 300 R HN 0.560 nan 8.270 nan 0.000 0.469 301 P HA 0.197 nan 4.420 nan 0.000 0.278 301 P C -0.944 176.158 177.300 -0.330 0.000 1.266 301 P CA -0.331 62.001 63.100 -1.280 0.000 0.807 301 P CB 0.895 31.502 31.700 -1.822 0.000 1.094 302 W N -1.090 120.126 121.300 -0.139 0.000 3.167 302 W HA 0.609 5.269 4.660 0.000 0.000 0.324 302 W C -2.530 174.193 176.519 0.340 0.000 1.230 302 W CA -1.154 56.292 57.345 0.168 0.000 1.184 302 W CB 0.742 30.300 29.460 0.164 0.000 1.414 302 W HN -0.003 nan 8.180 nan 0.000 0.551 303 V N 2.361 122.672 119.914 0.661 0.000 2.760 303 V HA 0.570 4.690 4.120 0.000 0.000 0.309 303 V C -0.280 176.109 176.094 0.490 0.000 1.077 303 V CA -0.694 61.878 62.300 0.455 0.000 0.910 303 V CB 1.785 33.666 31.823 0.097 0.000 1.008 303 V HN 0.648 nan 8.190 nan 0.000 0.424 304 S N 3.722 119.715 115.700 0.488 0.000 2.541 304 S HA 0.963 5.433 4.470 0.000 0.000 0.280 304 S C -1.067 173.656 174.600 0.205 0.000 1.112 304 S CA -0.656 57.626 58.200 0.137 0.000 0.925 304 S CB 2.064 65.344 63.200 0.133 0.000 1.067 304 S HN 1.074 nan 8.310 nan 0.000 0.479 305 F N -0.241 119.711 119.950 0.002 0.000 2.668 305 F HA 0.744 5.271 4.527 0.000 0.000 0.309 305 F C -0.652 175.062 175.800 -0.143 0.000 1.117 305 F CA -1.145 56.843 58.000 -0.020 0.000 0.951 305 F CB 0.555 39.562 39.000 0.011 0.000 1.323 305 F HN 0.657 nan 8.300 nan 0.000 0.451 309 N N 0.774 119.559 118.700 0.143 0.000 2.214 309 N HA 0.137 4.877 4.740 0.000 0.000 0.214 309 N C -0.124 175.441 175.510 0.091 0.000 1.132 309 N CA 0.280 53.396 53.050 0.111 0.000 0.856 309 N CB 0.838 39.362 38.487 0.061 0.000 1.020 309 N HN 0.063 nan 8.380 nan 0.000 0.509 310 L N 0.654 121.951 121.223 0.124 0.000 4.040 310 L HA -0.237 4.103 4.340 0.000 0.000 0.410 310 L C -0.345 176.593 176.870 0.112 0.000 1.187 310 L CA 0.818 55.689 54.840 0.051 0.000 0.956 310 L CB -2.092 39.937 42.059 -0.050 0.000 2.022 310 L HN 0.212 nan 8.230 nan 0.000 0.897 311 E N -0.142 120.120 120.200 0.103 0.000 2.229 311 E HA 0.503 4.853 4.350 0.000 0.000 0.283 311 E C -0.187 176.469 176.600 0.093 0.000 1.030 311 E CA -0.356 56.049 56.400 0.008 0.000 0.836 311 E CB 0.797 30.484 29.700 -0.022 0.000 1.068 311 E HN 0.358 nan 8.360 nan 0.000 0.401 312 Y N -0.033 120.306 120.300 0.066 0.000 2.662 312 Y HA 0.569 5.119 4.550 0.000 0.000 0.335 312 Y C -0.695 175.268 175.900 0.105 0.000 1.066 312 Y CA -1.242 56.933 58.100 0.125 0.000 1.116 312 Y CB 1.262 39.788 38.460 0.111 0.000 1.308 312 Y HN 0.283 nan 8.280 nan 0.000 0.502 313 Q N 1.772 121.827 119.800 0.425 0.000 2.389 313 Q HA 0.735 5.075 4.340 0.000 0.000 0.277 313 Q C -1.362 174.837 176.000 0.332 0.000 1.082 313 Q CA -1.083 54.932 55.803 0.355 0.000 0.810 313 Q CB 3.534 32.521 28.738 0.415 0.000 1.374 313 Q HN 0.820 nan 8.270 nan 0.000 0.422 314 I N -2.560 118.011 120.570 0.003 0.000 2.865 314 I HA 0.999 5.169 4.170 0.000 0.000 0.302 314 I C -0.280 175.414 176.117 -0.706 0.000 1.140 314 I CA -0.857 60.212 61.300 -0.385 0.000 1.021 314 I CB 2.508 40.373 38.000 -0.224 0.000 1.233 314 I HN 0.696 nan 8.210 nan 0.000 0.427 315 G N 2.049 110.192 108.800 -1.094 0.000 2.342 315 G HA2 0.478 4.438 3.960 0.000 0.000 0.297 315 G HA3 0.478 4.438 3.960 0.000 0.000 0.297 315 G C -2.535 171.810 174.900 -0.926 0.000 1.313 315 G CA -0.634 44.054 45.100 -0.686 0.000 0.830 315 G HN 0.561 nan 8.290 nan 0.000 0.506 316 Y N -0.459 119.552 120.300 -0.482 0.000 2.509 316 Y HA 0.619 5.169 4.550 0.000 0.000 0.341 316 Y C 0.982 176.864 175.900 -0.030 0.000 1.038 316 Y CA -0.868 57.060 58.100 -0.285 0.000 1.089 316 Y CB 1.800 40.068 38.460 -0.319 0.000 1.241 316 Y HN 0.438 nan 8.280 nan 0.000 0.468 317 I N 2.526 123.134 120.570 0.063 0.000 2.668 317 I HA -0.141 4.029 4.170 0.000 0.000 0.285 317 I C 0.406 176.462 176.117 -0.102 0.000 1.168 317 I CA 0.268 61.427 61.300 -0.234 0.000 1.424 317 I CB 0.391 38.238 38.000 -0.255 0.000 1.377 317 I HN 0.804 nan 8.210 nan 0.000 0.560 318 c N 3.476 121.991 118.600 -0.142 0.000 2.481 318 c HA -0.029 4.542 4.570 0.000 0.000 0.275 318 c C 1.735 175.777 174.090 -0.079 0.000 1.419 318 c CA -0.164 56.127 56.329 -0.064 0.000 1.773 318 c CB -1.119 41.366 42.510 -0.041 0.000 1.862 318 c HN 0.861 nan 8.230 nan 0.000 0.530 319 S N 1.045 116.671 115.700 -0.124 0.000 2.558 319 S HA 0.250 4.720 4.470 0.000 0.000 0.291 319 S C 1.380 175.814 174.600 -0.276 0.000 1.306 319 S CA 0.573 58.668 58.200 -0.175 0.000 1.056 319 S CB 0.594 63.679 63.200 -0.191 0.000 0.836 319 S HN 0.620 nan 8.310 nan 0.000 0.504 320 G N 2.752 111.331 108.800 -0.368 0.000 2.920 320 G HA2 0.111 4.071 3.960 0.000 0.000 0.208 320 G HA3 0.111 4.071 3.960 0.000 0.000 0.208 320 G C 0.148 174.416 174.900 -1.055 0.000 1.159 320 G CA -0.028 44.653 45.100 -0.699 0.000 0.784 320 G HN 0.635 nan 8.290 nan 0.000 0.535 321 V N 2.690 122.232 119.914 -0.620 0.000 2.276 321 V HA 0.263 4.383 4.120 0.000 0.000 0.249 321 V C -0.165 175.666 176.094 -0.438 0.000 1.160 321 V CA -0.912 61.086 62.300 -0.502 0.000 1.042 321 V CB -0.969 30.627 31.823 -0.379 0.000 1.224 321 V HN 0.200 nan 8.190 nan 0.000 0.496 322 F N 2.083 121.958 119.950 -0.124 0.000 2.572 322 F HA 0.272 4.799 4.527 0.000 0.000 0.370 322 F C 1.641 177.355 175.800 -0.144 0.000 1.103 322 F CA 0.400 58.330 58.000 -0.118 0.000 1.286 322 F CB 0.668 39.613 39.000 -0.092 0.000 1.105 322 F HN 0.478 nan 8.300 nan 0.000 0.583 323 G N 1.018 109.841 108.800 0.040 0.000 2.719 323 G HA2 -0.068 3.893 3.960 0.000 0.000 0.211 323 G HA3 -0.068 3.893 3.960 0.000 0.000 0.211 323 G C 0.173 175.035 174.900 -0.064 0.000 1.140 323 G CA -0.014 45.038 45.100 -0.081 0.000 0.790 323 G HN 0.534 nan 8.290 nan 0.000 0.529 324 D N 0.238 120.630 120.400 -0.013 0.000 2.411 324 D HA 0.209 4.849 4.640 0.000 0.000 0.251 324 D C -0.561 175.740 176.300 0.001 0.000 1.201 324 D CA -0.389 53.597 54.000 -0.023 0.000 0.996 324 D CB 0.741 41.526 40.800 -0.026 0.000 1.101 324 D HN 0.071 nan 8.370 nan 0.000 0.504 325 N N 0.787 119.494 118.700 0.011 0.000 2.478 325 N HA 0.235 4.975 4.740 0.000 0.000 0.291 325 N C -2.951 172.612 175.510 0.089 0.000 1.090 325 N CA -1.301 51.785 53.050 0.061 0.000 0.911 325 N CB 2.517 41.060 38.487 0.094 0.000 1.546 325 N HN 0.132 nan 8.380 nan 0.000 0.500 326 P HA 0.184 nan 4.420 nan 0.000 0.274 326 P C -0.762 176.563 177.300 0.041 0.000 1.264 326 P CA 0.131 63.296 63.100 0.108 0.000 0.795 326 P CB 1.063 32.841 31.700 0.130 0.000 1.064 327 R N -2.617 117.894 120.500 0.018 0.000 2.774 327 R HA 0.560 4.900 4.340 0.000 0.000 0.279 327 R C -3.163 173.120 176.300 -0.029 0.000 1.022 327 R CA -1.732 54.346 56.100 -0.037 0.000 0.855 327 R CB 0.456 30.772 30.300 0.028 0.000 1.279 327 R HN 0.184 nan 8.270 nan 0.000 0.485 328 P HA 0.209 nan 4.420 nan 0.000 0.284 328 P C -0.970 176.421 177.300 0.152 0.000 1.287 328 P CA -0.664 62.426 63.100 -0.017 0.000 0.824 328 P CB 0.668 32.287 31.700 -0.134 0.000 1.180 329 N N 0.648 119.425 118.700 0.127 0.000 2.479 329 N HA 0.023 4.763 4.740 0.000 0.000 0.257 329 N C -0.171 175.465 175.510 0.209 0.000 1.232 329 N CA 0.286 53.415 53.050 0.130 0.000 0.920 329 N CB -0.179 38.350 38.487 0.070 0.000 1.105 329 N HN 0.332 nan 8.380 nan 0.000 0.444 330 D N 0.972 121.421 120.400 0.083 0.000 2.433 330 D HA 0.056 4.696 4.640 0.000 0.000 0.274 330 D C 0.958 177.229 176.300 -0.048 0.000 1.344 330 D CA 0.438 54.374 54.000 -0.107 0.000 0.989 330 D CB 0.111 40.809 40.800 -0.170 0.000 1.116 330 D HN 0.541 nan 8.370 nan 0.000 0.533 331 G N 1.350 110.171 108.800 0.034 0.000 3.414 331 G HA2 0.288 4.248 3.960 0.000 0.000 0.189 331 G HA3 0.288 4.248 3.960 0.000 0.000 0.189 331 G C -0.373 174.519 174.900 -0.013 0.000 1.329 331 G CA -0.268 44.872 45.100 0.066 0.000 0.851 331 G HN 0.305 nan 8.290 nan 0.000 0.671 332 T N 0.628 115.234 114.554 0.086 0.000 2.756 332 T HA 0.592 4.942 4.350 0.000 0.000 0.290 332 T C 0.517 175.310 174.700 0.154 0.000 0.985 332 T CA 0.057 62.182 62.100 0.042 0.000 0.955 332 T CB 0.970 69.850 68.868 0.020 0.000 0.930 332 T HN 0.650 nan 8.240 nan 0.000 0.451 340 P HA -0.132 nan 4.420 nan 0.000 0.244 340 P C 0.494 177.351 177.300 -0.737 0.000 1.080 340 P CA 0.386 62.687 63.100 -1.331 0.000 0.794 340 P CB 0.207 31.103 31.700 -1.339 0.000 0.689 341 V N 3.917 123.523 119.914 -0.514 0.000 2.470 341 V HA 0.015 4.135 4.120 0.000 0.000 0.276 341 V C 1.981 177.826 176.094 -0.414 0.000 1.040 341 V CA 0.888 62.931 62.300 -0.429 0.000 1.008 341 V CB 0.528 32.058 31.823 -0.489 0.000 0.990 341 V HN 0.667 nan 8.190 nan 0.000 0.477 342 S N 2.237 117.707 115.700 -0.383 0.000 2.528 342 S HA -0.019 4.451 4.470 0.000 0.000 0.219 342 S C 1.055 175.523 174.600 -0.221 0.000 0.985 342 S CA 0.223 58.240 58.200 -0.306 0.000 0.914 342 S CB -0.127 62.881 63.200 -0.319 0.000 0.776 342 S HN 0.872 nan 8.310 nan 0.000 0.526 343 S N 2.539 118.091 115.700 -0.247 0.000 2.443 343 S HA 0.318 4.788 4.470 0.000 0.000 0.284 343 S C 0.625 175.103 174.600 -0.202 0.000 1.206 343 S CA -0.420 57.660 58.200 -0.201 0.000 1.074 343 S CB -0.113 62.969 63.200 -0.196 0.000 0.963 343 S HN 0.449 nan 8.310 nan 0.000 0.501 344 N N 2.254 120.881 118.700 -0.122 0.000 2.961 344 N HA -0.147 4.593 4.740 0.000 0.000 0.223 344 N C 0.570 176.045 175.510 -0.059 0.000 0.866 344 N CA 1.580 54.584 53.050 -0.077 0.000 1.030 344 N CB -1.483 36.955 38.487 -0.082 0.000 1.037 344 N HN 0.951 nan 8.380 nan 0.000 0.608 345 G N -0.098 108.637 108.800 -0.109 0.000 3.541 345 G HA2 0.546 4.506 3.960 0.000 0.000 0.253 345 G HA3 0.546 4.506 3.960 0.000 0.000 0.253 345 G C 0.653 175.548 174.900 -0.008 0.000 1.017 345 G CA 0.585 45.641 45.100 -0.073 0.000 1.832 345 G HN 0.467 nan 8.290 nan 0.000 0.649 346 A N 0.175 123.025 122.820 0.050 0.000 2.637 346 A HA 0.648 4.968 4.320 0.000 0.000 0.293 346 A C -0.192 177.512 177.584 0.201 0.000 1.216 346 A CA -0.412 51.682 52.037 0.095 0.000 0.956 346 A CB 0.145 19.187 19.000 0.070 0.000 1.174 346 A HN 0.580 nan 8.150 nan 0.000 0.525 347 Y N -1.586 118.734 120.300 0.034 0.000 2.660 347 Y HA 0.555 5.105 4.550 0.000 0.000 0.244 347 Y C 0.171 176.113 175.900 0.071 0.000 1.945 347 Y CA -0.126 58.008 58.100 0.057 0.000 1.013 347 Y CB 0.215 38.707 38.460 0.053 0.000 3.225 347 Y HN 0.748 nan 8.280 nan 0.000 0.316 348 G N 0.332 108.709 108.800 -0.704 0.000 2.341 348 G HA2 0.489 4.449 3.960 0.000 0.000 0.293 348 G HA3 0.489 4.449 3.960 0.000 0.000 0.293 348 G C -2.462 172.141 174.900 -0.495 0.000 1.298 348 G CA -0.033 44.802 45.100 -0.441 0.000 0.868 348 G HN 1.275 nan 8.290 nan 0.000 0.540 349 V N -0.335 119.440 119.914 -0.232 0.000 3.077 349 V HA 0.723 4.843 4.120 0.000 0.000 0.299 349 V C -0.317 175.609 176.094 -0.280 0.000 1.276 349 V CA -0.806 61.400 62.300 -0.158 0.000 0.993 349 V CB 1.902 33.748 31.823 0.039 0.000 1.076 349 V HN 1.093 nan 8.190 nan 0.000 0.434 350 K N 3.195 123.190 120.400 -0.675 0.000 2.382 350 K HA 0.616 4.936 4.320 0.000 0.000 0.275 350 K C 0.050 176.520 176.600 -0.218 0.000 1.009 350 K CA 0.850 56.815 56.287 -0.537 0.000 0.970 350 K CB 0.893 32.880 32.500 -0.855 0.000 0.934 350 K HN 1.081 nan 8.250 nan 0.000 0.479 351 G N 2.222 110.968 108.800 -0.089 0.000 2.782 351 G HA2 0.647 4.607 3.960 0.000 0.000 0.304 351 G HA3 0.647 4.607 3.960 0.000 0.000 0.304 351 G C -1.631 173.320 174.900 0.085 0.000 1.315 351 G CA -0.829 44.276 45.100 0.010 0.000 0.791 351 G HN 0.631 nan 8.290 nan 0.000 0.519 352 F N -2.125 117.745 119.950 -0.132 0.000 2.779 352 F HA 0.895 5.422 4.527 0.000 0.000 0.316 352 F C -0.692 175.001 175.800 -0.179 0.000 1.164 352 F CA -1.526 56.371 58.000 -0.172 0.000 0.924 352 F CB 1.591 40.418 39.000 -0.288 0.000 1.348 352 F HN 0.614 nan 8.300 nan 0.000 0.467 353 S N 0.289 115.856 115.700 -0.221 0.000 2.542 353 S HA 0.624 5.094 4.470 0.000 0.000 0.276 353 S C -1.911 172.697 174.600 0.014 0.000 1.148 353 S CA -0.632 57.486 58.200 -0.136 0.000 0.886 353 S CB 1.216 64.438 63.200 0.035 0.000 1.109 353 S HN 0.579 nan 8.310 nan 0.000 0.458 354 F N 2.390 122.580 119.950 0.399 0.000 2.426 354 F HA 0.481 5.008 4.527 0.000 0.000 0.348 354 F C 0.422 176.431 175.800 0.349 0.000 1.124 354 F CA -0.664 57.496 58.000 0.267 0.000 1.008 354 F CB 1.329 40.493 39.000 0.274 0.000 1.139 354 F HN 0.309 nan 8.300 nan 0.000 0.452 355 K N 4.346 124.908 120.400 0.270 0.000 2.227 355 K HA 0.329 4.650 4.320 0.000 0.000 0.280 355 K C -1.860 174.674 176.600 -0.111 0.000 1.041 355 K CA -0.396 55.854 56.287 -0.061 0.000 0.905 355 K CB 0.600 32.493 32.500 -1.011 0.000 1.068 355 K HN 0.649 nan 8.250 nan 0.000 0.470 356 Y N 3.628 124.019 120.300 0.152 0.000 2.526 356 Y HA 0.248 4.799 4.550 0.000 0.000 0.328 356 Y C 0.886 176.852 175.900 0.112 0.000 0.995 356 Y CA 0.460 58.657 58.100 0.162 0.000 1.304 356 Y CB 1.633 40.273 38.460 0.300 0.000 1.096 356 Y HN 1.083 nan 8.280 nan 0.000 0.499 357 G N 2.671 111.516 108.800 0.075 0.000 2.591 357 G HA2 -0.394 3.566 3.960 0.000 0.000 0.298 357 G HA3 -0.394 3.566 3.960 0.000 0.000 0.298 357 G C 0.916 175.814 174.900 -0.002 0.000 1.195 357 G CA 0.613 45.737 45.100 0.040 0.000 0.989 357 G HN 0.564 nan 8.290 nan 0.000 0.551 358 N N 2.567 121.309 118.700 0.071 0.000 2.336 358 N HA 0.217 4.957 4.740 0.000 0.000 0.189 358 N C 0.992 176.566 175.510 0.106 0.000 1.113 358 N CA 1.019 54.127 53.050 0.096 0.000 0.858 358 N CB 0.411 38.945 38.487 0.079 0.000 0.970 358 N HN 0.821 nan 8.380 nan 0.000 0.471 359 G N 0.224 109.089 108.800 0.108 0.000 2.437 359 G HA2 0.537 4.498 3.960 0.000 0.000 0.319 359 G HA3 0.537 4.498 3.960 0.000 0.000 0.319 359 G C -0.384 174.601 174.900 0.141 0.000 1.158 359 G CA -0.280 44.751 45.100 -0.117 0.000 0.899 359 G HN -0.055 nan 8.290 nan 0.000 0.502 360 V N -1.681 118.189 119.914 -0.074 0.000 2.925 360 V HA 0.593 4.713 4.120 0.000 0.000 0.311 360 V C -1.482 174.810 176.094 0.329 0.000 1.104 360 V CA -1.277 61.216 62.300 0.322 0.000 0.954 360 V CB 2.065 34.055 31.823 0.278 0.000 1.022 360 V HN 0.772 nan 8.190 nan 0.000 0.427 361 W N 3.011 124.674 121.300 0.604 0.000 2.294 361 W HA 0.758 5.418 4.660 0.000 0.000 0.314 361 W C -0.415 176.211 176.519 0.178 0.000 1.044 361 W CA -0.269 57.414 57.345 0.563 0.000 1.284 361 W CB 1.540 31.478 29.460 0.797 0.000 1.231 361 W HN 0.449 nan 8.180 nan 0.000 0.419 362 I N 4.195 124.868 120.570 0.171 0.000 2.336 362 I HA 0.469 4.639 4.170 0.000 0.000 0.292 362 I C 0.860 176.739 176.117 -0.397 0.000 0.991 362 I CA -0.597 60.596 61.300 -0.179 0.000 1.227 362 I CB 1.066 38.930 38.000 -0.226 0.000 1.366 362 I HN 0.431 nan 8.210 nan 0.000 0.466 363 G N 6.017 114.324 108.800 -0.822 0.000 2.356 363 G HA2 0.788 4.748 3.960 0.000 0.000 0.322 363 G HA3 0.788 4.748 3.960 0.000 0.000 0.322 363 G C -0.754 173.625 174.900 -0.868 0.000 1.125 363 G CA -0.498 44.030 45.100 -0.953 0.000 0.885 363 G HN 0.793 nan 8.290 nan 0.000 0.467 364 R N -0.188 119.586 120.500 -1.210 0.000 2.728 364 R HA 0.552 4.892 4.340 0.000 0.000 0.274 364 R C -0.144 175.677 176.300 -0.797 0.000 1.032 364 R CA -0.728 54.935 56.100 -0.729 0.000 0.866 364 R CB 0.162 30.215 30.300 -0.413 0.000 1.263 364 R HN 0.635 nan 8.270 nan 0.000 0.475 365 T N -0.760 113.661 114.554 -0.222 0.000 2.734 365 T HA 0.177 4.527 4.350 0.000 0.000 0.314 365 T C 0.679 175.328 174.700 -0.087 0.000 1.057 365 T CA -0.305 61.795 62.100 0.000 0.000 1.047 365 T CB 0.844 69.794 68.868 0.138 0.000 0.991 365 T HN 0.705 nan 8.240 nan 0.000 0.540 366 K N -0.090 120.308 120.400 -0.004 0.000 2.242 366 K HA 0.153 4.473 4.320 0.000 0.000 0.200 366 K C 1.381 177.980 176.600 -0.002 0.000 1.050 366 K CA 0.111 56.383 56.287 -0.026 0.000 0.981 366 K CB 0.175 32.675 32.500 0.001 0.000 0.795 366 K HN 0.562 nan 8.250 nan 0.000 0.477 367 S N 0.682 116.401 115.700 0.032 0.000 2.580 367 S HA 0.032 4.502 4.470 0.000 0.000 0.274 367 S C 1.094 175.725 174.600 0.052 0.000 1.329 367 S CA -0.431 57.795 58.200 0.042 0.000 1.036 367 S CB 1.115 64.354 63.200 0.065 0.000 0.919 367 S HN 0.350 nan 8.310 nan 0.000 0.515 368 T N 1.392 115.976 114.554 0.049 0.000 3.081 368 T HA 0.230 4.580 4.350 0.000 0.000 0.250 368 T C 0.880 175.622 174.700 0.070 0.000 1.100 368 T CA 0.038 62.171 62.100 0.054 0.000 1.038 368 T CB -0.152 68.744 68.868 0.047 0.000 0.962 368 T HN 0.586 nan 8.240 nan 0.000 0.516 369 N N 0.520 119.271 118.700 0.085 0.000 2.474 369 N HA 0.214 4.954 4.740 0.000 0.000 0.224 369 N C 0.080 175.679 175.510 0.149 0.000 1.092 369 N CA 0.067 53.179 53.050 0.103 0.000 0.844 369 N CB 0.909 39.444 38.487 0.080 0.000 1.381 369 N HN 0.240 nan 8.380 nan 0.000 0.458 370 S N 0.408 116.211 115.700 0.172 0.000 2.681 370 S HA 0.413 4.883 4.470 0.000 0.000 0.299 370 S C 0.393 175.160 174.600 0.279 0.000 1.113 370 S CA -0.606 57.749 58.200 0.257 0.000 1.013 370 S CB 1.989 65.390 63.200 0.335 0.000 1.076 370 S HN 0.068 nan 8.310 nan 0.000 0.534 371 R N 1.882 122.594 120.500 0.352 0.000 4.496 371 R HA 0.218 4.558 4.340 0.000 0.000 0.211 371 R C -0.425 176.137 176.300 0.436 0.000 1.738 371 R CA -0.159 56.151 56.100 0.350 0.000 1.528 371 R CB -0.356 30.142 30.300 0.331 0.000 1.414 371 R HN 0.581 nan 8.270 nan 0.000 0.812 372 S N -0.697 115.199 115.700 0.327 0.000 2.526 372 S HA 0.814 5.284 4.470 0.000 0.000 0.293 372 S C 0.244 174.937 174.600 0.156 0.000 1.092 372 S CA -0.475 57.859 58.200 0.223 0.000 0.980 372 S CB 2.371 65.555 63.200 -0.027 0.000 1.048 372 S HN 0.569 nan 8.310 nan 0.000 0.483 373 G N 0.651 109.547 108.800 0.159 0.000 2.787 373 G HA2 0.147 4.107 3.960 0.000 0.000 0.685 373 G HA3 0.147 4.107 3.960 0.000 0.000 0.685 373 G C -1.144 173.941 174.900 0.309 0.000 1.437 373 G CA -0.432 44.768 45.100 0.168 0.000 0.872 373 G HN 1.412 nan 8.290 nan 0.000 0.566 374 F N 0.748 120.755 119.950 0.096 0.000 2.672 374 F HA 0.626 5.154 4.527 0.000 0.000 0.311 374 F C -0.448 175.393 175.800 0.069 0.000 1.113 374 F CA 0.034 58.090 58.000 0.094 0.000 0.996 374 F CB 1.868 40.968 39.000 0.165 0.000 1.286 374 F HN 1.044 nan 8.300 nan 0.000 0.441 375 E N 4.788 124.715 120.200 -0.455 0.000 2.392 375 E HA 0.530 4.880 4.350 0.000 0.000 0.279 375 E C -1.925 174.459 176.600 -0.361 0.000 0.964 375 E CA -1.207 55.061 56.400 -0.221 0.000 0.777 375 E CB 2.367 31.974 29.700 -0.156 0.000 1.249 375 E HN 0.355 nan 8.360 nan 0.000 0.449 376 M N 2.502 122.048 119.600 -0.089 0.000 2.205 376 M HA 0.485 4.966 4.480 0.000 0.000 0.344 376 M C -0.859 175.584 176.300 0.239 0.000 1.085 376 M CA -0.657 54.650 55.300 0.011 0.000 1.001 376 M CB 0.709 33.332 32.600 0.039 0.000 1.626 376 M HN 0.613 nan 8.290 nan 0.000 0.442 377 I N 2.586 123.227 120.570 0.118 0.000 2.465 377 I HA 0.365 4.535 4.170 0.000 0.000 0.291 377 I C -0.875 175.184 176.117 -0.096 0.000 1.014 377 I CA -0.566 60.687 61.300 -0.079 0.000 1.093 377 I CB 2.136 39.831 38.000 -0.508 0.000 1.267 377 I HN 0.703 nan 8.210 nan 0.000 0.431 378 W N 7.719 128.714 121.300 -0.510 0.000 2.291 378 W HA 0.331 4.991 4.660 0.000 0.000 0.312 378 W C -1.225 175.105 176.519 -0.315 0.000 1.061 378 W CA -0.452 56.358 57.345 -0.892 0.000 1.296 378 W CB 1.308 29.915 29.460 -1.422 0.000 1.223 378 W HN 0.481 nan 8.180 nan 0.000 0.421 379 D N 9.572 129.433 120.400 -0.898 0.000 2.464 379 D HA 0.305 4.945 4.640 0.000 0.000 0.243 379 D C -2.224 173.386 176.300 -1.151 0.000 1.104 379 D CA -2.326 51.226 54.000 -0.747 0.000 0.883 379 D CB 1.658 42.246 40.800 -0.353 0.000 1.050 379 D HN 0.079 nan 8.370 nan 0.000 0.524 380 P HA 0.045 nan 4.420 nan 0.000 0.271 380 P C -0.304 176.739 177.300 -0.429 0.000 1.233 380 P CA -0.254 62.279 63.100 -0.945 0.000 0.789 380 P CB 0.462 31.900 31.700 -0.435 0.000 0.951 381 N N -0.221 118.357 118.700 -0.204 0.000 2.696 381 N HA -0.183 4.557 4.740 0.000 0.000 0.271 381 N C 0.883 176.326 175.510 -0.112 0.000 0.997 381 N CA 1.397 54.393 53.050 -0.089 0.000 0.801 381 N CB -1.574 36.875 38.487 -0.064 0.000 0.913 381 N HN 0.819 nan 8.380 nan 0.000 0.557 382 G N -1.816 106.924 108.800 -0.101 0.000 3.738 382 G HA2 -0.003 3.957 3.960 0.000 0.000 0.241 382 G HA3 -0.003 3.957 3.960 0.000 0.000 0.241 382 G C 0.678 175.571 174.900 -0.010 0.000 1.068 382 G CA -0.173 44.866 45.100 -0.101 0.000 0.899 382 G HN 0.476 nan 8.290 nan 0.000 0.519 383 W N 2.410 123.654 121.300 -0.094 0.000 2.737 383 W HA 0.079 4.740 4.660 0.000 0.000 0.262 383 W C 1.205 177.728 176.519 0.008 0.000 1.282 383 W CA 1.641 58.954 57.345 -0.055 0.000 1.386 383 W CB 0.366 29.776 29.460 -0.082 0.000 1.099 383 W HN 0.208 nan 8.180 nan 0.000 0.621 384 T N -2.166 112.486 114.554 0.165 0.000 3.043 384 T HA 0.209 4.559 4.350 0.000 0.000 0.272 384 T C -0.025 174.709 174.700 0.056 0.000 0.990 384 T CA -0.180 61.999 62.100 0.132 0.000 0.897 384 T CB 0.336 69.324 68.868 0.199 0.000 1.111 384 T HN -0.059 nan 8.240 nan 0.000 0.529 385 E N 1.514 121.723 120.200 0.015 0.000 2.238 385 E HA 0.421 4.772 4.350 0.000 0.000 0.267 385 E C -1.187 175.384 176.600 -0.049 0.000 0.887 385 E CA -0.796 55.595 56.400 -0.015 0.000 0.769 385 E CB 1.940 31.626 29.700 -0.023 0.000 1.187 385 E HN 0.028 nan 8.360 nan 0.000 0.416 386 T N 2.790 117.316 114.554 -0.047 0.000 2.733 386 T HA 0.335 4.685 4.350 0.000 0.000 0.294 386 T C -0.537 174.115 174.700 -0.081 0.000 0.956 386 T CA -0.336 61.725 62.100 -0.066 0.000 0.987 386 T CB 0.666 69.509 68.868 -0.042 0.000 0.920 386 T HN 0.357 nan 8.240 nan 0.000 0.470 387 D N 0.937 121.267 120.400 -0.117 0.000 3.344 387 D HA 0.482 5.122 4.640 0.000 0.000 0.308 387 D C 0.424 176.635 176.300 -0.149 0.000 1.356 387 D CA -0.501 53.433 54.000 -0.110 0.000 0.998 387 D CB 1.520 42.261 40.800 -0.098 0.000 1.370 387 D HN 0.379 nan 8.370 nan 0.000 0.610 388 S N -0.899 114.736 115.700 -0.109 0.000 2.546 388 S HA 0.057 4.527 4.470 0.000 0.000 0.282 388 S C 0.354 174.975 174.600 0.035 0.000 1.074 388 S CA -0.265 57.879 58.200 -0.094 0.000 1.254 388 S CB 0.642 63.797 63.200 -0.074 0.000 1.103 388 S HN 0.453 nan 8.310 nan 0.000 0.589 389 S N 2.729 118.412 115.700 -0.028 0.000 2.564 389 S HA 0.689 5.160 4.470 0.000 0.000 0.278 389 S C -0.361 174.229 174.600 -0.015 0.000 1.333 389 S CA -0.521 57.629 58.200 -0.083 0.000 1.048 389 S CB 0.031 63.148 63.200 -0.140 0.000 0.900 389 S HN 0.466 nan 8.310 nan 0.000 0.505 390 F N -1.007 118.833 119.950 -0.183 0.000 2.741 390 F HA 0.691 5.218 4.527 0.000 0.000 0.313 390 F C 0.516 176.215 175.800 -0.169 0.000 1.153 390 F CA -0.623 57.230 58.000 -0.245 0.000 0.931 390 F CB 0.834 39.686 39.000 -0.247 0.000 1.335 390 F HN 0.480 nan 8.300 nan 0.000 0.460 391 S N -0.679 114.936 115.700 -0.143 0.000 2.514 391 S HA 0.487 4.957 4.470 0.000 0.000 0.223 391 S C 0.102 174.741 174.600 0.065 0.000 1.046 391 S CA 0.357 58.489 58.200 -0.114 0.000 0.914 391 S CB 0.326 63.530 63.200 0.007 0.000 0.807 391 S HN 0.495 nan 8.310 nan 0.000 0.497 395 Q N 3.806 123.801 119.800 0.325 0.000 2.333 395 Q HA 0.258 4.598 4.340 0.000 0.000 0.268 395 Q C -1.110 175.042 176.000 0.253 0.000 1.007 395 Q CA -0.726 55.273 55.803 0.328 0.000 0.810 395 Q CB 1.316 30.320 28.738 0.444 0.000 1.264 395 Q HN 0.469 nan 8.270 nan 0.000 0.452 396 D N 4.446 124.995 120.400 0.248 0.000 2.350 396 D HA 0.189 4.829 4.640 0.000 0.000 0.249 396 D C 0.601 177.099 176.300 0.329 0.000 1.119 396 D CA 0.222 54.359 54.000 0.229 0.000 0.886 396 D CB 1.396 42.311 40.800 0.191 0.000 1.195 396 D HN 0.618 nan 8.370 nan 0.000 0.437 397 I N 0.244 121.018 120.570 0.341 0.000 3.873 397 I HA 0.026 4.196 4.170 0.000 0.000 0.284 397 I C 0.029 176.442 176.117 0.493 0.000 1.186 397 I CA 0.282 61.883 61.300 0.502 0.000 1.362 397 I CB 0.804 39.067 38.000 0.439 0.000 1.432 397 I HN 0.057 nan 8.210 nan 0.000 0.454 398 V N 1.680 121.815 119.914 0.368 0.000 2.623 398 V HA 0.586 4.706 4.120 0.000 0.000 0.304 398 V C -0.049 176.133 176.094 0.148 0.000 1.054 398 V CA -1.077 61.377 62.300 0.257 0.000 0.882 398 V CB 1.609 33.622 31.823 0.316 0.000 1.002 398 V HN 0.232 nan 8.190 nan 0.000 0.424 399 A N 4.216 127.061 122.820 0.042 0.000 2.466 399 A HA 0.454 4.774 4.320 0.000 0.000 0.238 399 A C 1.189 178.768 177.584 -0.009 0.000 1.074 399 A CA -0.045 51.992 52.037 0.001 0.000 0.774 399 A CB 0.002 18.968 19.000 -0.058 0.000 1.015 399 A HN 0.874 nan 8.150 nan 0.000 0.498 400 I N 0.951 121.508 120.570 -0.021 0.000 2.567 400 I HA -0.223 3.948 4.170 0.000 0.000 0.257 400 I C 2.266 178.305 176.117 -0.131 0.000 1.184 400 I CA 1.762 63.033 61.300 -0.048 0.000 1.451 400 I CB -0.847 37.130 38.000 -0.037 0.000 1.089 400 I HN 0.830 nan 8.210 nan 0.000 0.441 401 T N -2.971 111.503 114.554 -0.134 0.000 3.085 401 T HA 0.041 4.391 4.350 0.000 0.000 0.263 401 T C 0.579 175.100 174.700 -0.298 0.000 1.127 401 T CA 0.299 62.280 62.100 -0.199 0.000 1.103 401 T CB -0.253 68.535 68.868 -0.134 0.000 0.921 401 T HN 0.199 nan 8.240 nan 0.000 0.510 402 D N 0.080 120.337 120.400 -0.238 0.000 2.342 402 D HA 0.305 4.945 4.640 0.000 0.000 0.243 402 D C -0.753 175.447 176.300 -0.167 0.000 1.019 402 D CA -0.692 53.169 54.000 -0.233 0.000 0.864 402 D CB 1.305 42.071 40.800 -0.057 0.000 1.315 402 D HN 0.354 nan 8.370 nan 0.000 0.468 403 W N 1.145 122.495 121.300 0.084 0.000 2.137 403 W HA 0.206 4.866 4.660 0.000 0.000 0.344 403 W C 1.427 178.030 176.519 0.140 0.000 1.286 403 W CA -0.161 57.246 57.345 0.103 0.000 1.240 403 W CB 0.591 30.098 29.460 0.078 0.000 1.141 403 W HN 0.334 nan 8.180 nan 0.000 0.579 404 S N 0.915 116.893 115.700 0.463 0.000 4.344 404 S HA 0.966 5.437 4.470 0.000 0.000 0.236 404 S C 0.167 174.971 174.600 0.340 0.000 1.105 404 S CA -0.147 58.268 58.200 0.358 0.000 1.634 404 S CB 1.291 64.717 63.200 0.377 0.000 1.220 404 S HN 1.190 nan 8.310 nan 0.000 0.740 405 G N -0.463 108.544 108.800 0.346 0.000 2.403 405 G HA2 0.280 4.240 3.960 0.000 0.000 0.223 405 G HA3 0.280 4.240 3.960 0.000 0.000 0.223 405 G C -1.627 173.546 174.900 0.455 0.000 1.287 405 G CA -0.645 44.683 45.100 0.380 0.000 0.982 405 G HN 0.640 nan 8.290 nan 0.000 0.471 406 Y N 1.504 121.957 120.300 0.255 0.000 2.861 406 Y HA 0.401 4.951 4.550 0.000 0.000 0.344 406 Y C 1.356 177.337 175.900 0.135 0.000 1.272 406 Y CA 0.290 58.551 58.100 0.269 0.000 1.502 406 Y CB 0.636 39.362 38.460 0.443 0.000 1.333 406 Y HN 1.047 nan 8.280 nan 0.000 0.634 407 S N 0.107 115.752 115.700 -0.092 0.000 2.537 407 S HA 0.888 5.358 4.470 0.000 0.000 0.271 407 S C -0.635 173.416 174.600 -0.916 0.000 1.148 407 S CA -0.360 57.470 58.200 -0.617 0.000 0.868 407 S CB 1.905 65.072 63.200 -0.055 0.000 1.115 407 S HN 1.071 nan 8.310 nan 0.000 0.461 408 G N 0.657 108.369 108.800 -1.813 0.000 2.692 408 G HA2 0.674 4.635 3.960 0.000 0.000 0.291 408 G HA3 0.674 4.635 3.960 0.000 0.000 0.291 408 G C -0.774 173.591 174.900 -0.892 0.000 1.423 408 G CA -0.342 44.188 45.100 -0.950 0.000 0.843 408 G HN 1.455 nan 8.290 nan 0.000 0.486 409 S N -0.889 114.616 115.700 -0.326 0.000 2.616 409 S HA 0.867 5.337 4.470 0.000 0.000 0.277 409 S C -0.581 174.275 174.600 0.426 0.000 1.234 409 S CA -0.598 57.528 58.200 -0.124 0.000 1.028 409 S CB 1.164 64.261 63.200 -0.171 0.000 0.988 409 S HN 1.622 nan 8.310 nan 0.000 0.522 410 F N -0.550 119.593 119.950 0.321 0.000 2.619 410 F HA 0.825 5.352 4.527 0.000 0.000 0.308 410 F C -1.061 174.901 175.800 0.270 0.000 1.097 410 F CA -1.222 56.983 58.000 0.341 0.000 0.953 410 F CB 0.464 39.700 39.000 0.394 0.000 1.287 410 F HN 0.468 nan 8.300 nan 0.000 0.446 411 V N 2.253 122.386 119.914 0.364 0.000 4.263 411 V HA 0.613 4.733 4.120 0.000 0.000 0.280 411 V C 0.458 176.657 176.094 0.176 0.000 1.327 411 V CA 0.122 62.529 62.300 0.177 0.000 0.863 411 V CB 1.228 33.178 31.823 0.212 0.000 1.289 411 V HN 1.380 nan 8.190 nan 0.000 0.450 412 L N -1.515 119.744 121.223 0.060 0.000 1.978 412 L HA -0.203 4.137 4.340 0.000 0.000 0.494 412 L C 1.263 178.153 176.870 0.034 0.000 0.718 412 L CA 2.600 57.469 54.840 0.048 0.000 3.193 412 L CB -1.881 40.212 42.059 0.057 0.000 0.700 412 L HN 0.669 nan 8.230 nan 0.000 0.762 413 T N -0.255 114.316 114.554 0.028 0.000 2.976 413 T HA 0.482 4.832 4.350 0.000 0.000 0.257 413 T C 1.497 176.204 174.700 0.011 0.000 1.051 413 T CA 1.691 63.801 62.100 0.017 0.000 1.141 413 T CB -0.004 68.864 68.868 0.001 0.000 0.881 413 T HN 1.546 nan 8.240 nan 0.000 0.461 414 G N 0.633 109.440 108.800 0.012 0.000 2.194 414 G HA2 -0.179 3.782 3.960 0.000 0.000 0.236 414 G HA3 -0.179 3.782 3.960 0.000 0.000 0.236 414 G C 0.010 174.911 174.900 0.001 0.000 0.987 414 G CA -0.207 44.898 45.100 0.009 0.000 0.635 414 G HN 0.371 nan 8.290 nan 0.000 0.520 415 L N 1.990 123.210 121.223 -0.005 0.000 2.476 415 L HA 0.389 4.729 4.340 0.000 0.000 0.264 415 L C 1.452 178.316 176.870 -0.010 0.000 1.224 415 L CA 0.775 55.606 54.840 -0.015 0.000 0.821 415 L CB 0.555 42.597 42.059 -0.028 0.000 1.101 415 L HN 0.363 nan 8.230 nan 0.000 0.488 416 D N -0.748 119.644 120.400 -0.014 0.000 2.388 416 D HA 0.092 4.732 4.640 0.000 0.000 0.221 416 D C -0.074 176.219 176.300 -0.011 0.000 1.133 416 D CA -0.114 53.880 54.000 -0.009 0.000 0.831 416 D CB -0.195 40.600 40.800 -0.009 0.000 0.962 416 D HN 0.423 nan 8.370 nan 0.000 0.502 417 c N -1.449 117.140 118.600 -0.018 0.000 3.323 417 c HA 0.707 5.277 4.570 0.000 0.000 0.324 417 c C -0.250 173.824 174.090 -0.027 0.000 1.428 417 c CA -1.324 54.992 56.329 -0.021 0.000 1.368 417 c CB 0.644 43.137 42.510 -0.029 0.000 1.731 417 c HN 0.091 nan 8.230 nan 0.000 0.455 418 I N 2.218 122.769 120.570 -0.031 0.000 2.312 418 I HA 0.301 4.471 4.170 0.000 0.000 0.291 418 I C 0.561 176.621 176.117 -0.096 0.000 1.031 418 I CA -0.083 61.196 61.300 -0.035 0.000 1.293 418 I CB 0.477 38.476 38.000 -0.001 0.000 1.403 418 I HN 0.529 nan 8.210 nan 0.000 0.484 419 R N 8.429 128.863 120.500 -0.108 0.000 2.351 419 R HA 0.223 4.564 4.340 0.000 0.000 0.318 419 R C -2.373 173.762 176.300 -0.275 0.000 1.055 419 R CA -1.405 54.585 56.100 -0.184 0.000 0.968 419 R CB 0.516 30.719 30.300 -0.162 0.000 0.974 419 R HN 0.320 nan 8.270 nan 0.000 0.439 420 P HA 0.242 nan 4.420 nan 0.000 0.292 420 P C -0.605 176.481 177.300 -0.356 0.000 1.287 420 P CA -0.380 62.340 63.100 -0.633 0.000 0.800 420 P CB 1.231 32.258 31.700 -1.123 0.000 0.945 421 c N 3.163 121.554 118.600 -0.350 0.000 3.318 421 c HA 0.856 5.426 4.570 0.000 0.000 0.329 421 c C -0.542 173.449 174.090 -0.165 0.000 1.449 421 c CA -0.369 55.704 56.329 -0.426 0.000 1.397 421 c CB 1.396 42.996 42.510 -1.516 0.000 1.810 421 c HN 0.744 nan 8.230 nan 0.000 0.449 422 F N -0.584 119.232 119.950 -0.224 0.000 2.719 422 F HA 0.810 5.337 4.527 0.000 0.000 0.309 422 F C -1.645 174.308 175.800 0.255 0.000 1.138 422 F CA -1.147 56.729 58.000 -0.207 0.000 0.943 422 F CB 0.788 39.205 39.000 -0.972 0.000 1.304 422 F HN 0.847 nan 8.300 nan 0.000 0.445 423 W N 1.442 122.911 121.300 0.282 0.000 2.864 423 W HA 0.871 5.531 4.660 0.000 0.000 0.343 423 W C -2.326 174.318 176.519 0.208 0.000 1.109 423 W CA -1.613 55.851 57.345 0.197 0.000 1.192 423 W CB 1.023 30.588 29.460 0.175 0.000 1.426 423 W HN 0.550 nan 8.180 nan 0.000 0.529 424 V N 1.528 121.681 119.914 0.399 0.000 2.638 424 V HA 0.217 4.337 4.120 0.000 0.000 0.306 424 V C -0.320 176.023 176.094 0.415 0.000 1.052 424 V CA -0.795 61.610 62.300 0.175 0.000 0.885 424 V CB 1.765 33.502 31.823 -0.143 0.000 0.999 424 V HN 0.623 nan 8.190 nan 0.000 0.424 425 E N 4.686 125.171 120.200 0.475 0.000 2.200 425 E HA 0.458 4.809 4.350 0.000 0.000 0.283 425 E C -1.252 175.518 176.600 0.282 0.000 1.015 425 E CA -0.594 56.053 56.400 0.412 0.000 0.819 425 E CB 1.112 31.111 29.700 0.499 0.000 1.081 425 E HN 0.650 nan 8.360 nan 0.000 0.397 426 L N 6.891 128.252 121.223 0.229 0.000 2.288 426 L HA 0.360 4.700 4.340 0.000 0.000 0.283 426 L C -0.039 176.944 176.870 0.188 0.000 1.072 426 L CA -0.521 54.455 54.840 0.226 0.000 0.862 426 L CB 0.303 42.491 42.059 0.216 0.000 1.245 426 L HN 0.542 nan 8.230 nan 0.000 0.432 427 I N 4.096 124.772 120.570 0.176 0.000 2.471 427 I HA 0.218 4.388 4.170 0.000 0.000 0.286 427 I C 0.282 176.397 176.117 -0.002 0.000 1.079 427 I CA -0.120 61.226 61.300 0.076 0.000 1.398 427 I CB 0.355 38.372 38.000 0.029 0.000 1.403 427 I HN 0.504 nan 8.210 nan 0.000 0.530 428 R N 4.233 124.722 120.500 -0.019 0.000 2.803 428 R HA 0.801 5.141 4.340 0.000 0.000 0.276 428 R C 0.153 176.260 176.300 -0.321 0.000 0.978 428 R CA -0.480 55.542 56.100 -0.129 0.000 0.939 428 R CB 1.659 31.993 30.300 0.058 0.000 1.179 428 R HN 0.897 nan 8.270 nan 0.000 0.472 429 G N 1.560 109.998 108.800 -0.603 0.000 2.445 429 G HA2 -0.213 3.747 3.960 0.000 0.000 0.212 429 G HA3 -0.213 3.747 3.960 0.000 0.000 0.212 429 G C -0.865 173.699 174.900 -0.560 0.000 1.217 429 G CA -0.760 43.837 45.100 -0.837 0.000 1.002 429 G HN 0.484 nan 8.290 nan 0.000 0.574 430 R N 1.510 121.744 120.500 -0.444 0.000 2.679 430 R HA 0.396 4.737 4.340 0.000 0.000 0.269 430 R C -1.094 175.052 176.300 -0.257 0.000 1.076 430 R CA -0.575 55.342 56.100 -0.304 0.000 1.160 430 R CB 0.683 30.856 30.300 -0.213 0.000 1.054 430 R HN 0.446 nan 8.270 nan 0.000 0.507 431 P HA 0.017 nan 4.420 nan 0.000 0.255 431 P C -0.062 177.104 177.300 -0.223 0.000 1.248 431 P CA 0.624 63.613 63.100 -0.185 0.000 0.807 431 P CB 0.558 32.187 31.700 -0.120 0.000 1.150 432 K N 0.421 120.603 120.400 -0.363 0.000 2.186 432 K HA 0.118 4.438 4.320 0.000 0.000 0.202 432 K C 1.060 177.488 176.600 -0.287 0.000 1.052 432 K CA 0.738 56.783 56.287 -0.403 0.000 0.965 432 K CB 0.316 32.223 32.500 -0.989 0.000 0.746 432 K HN 0.404 nan 8.250 nan 0.000 0.457 436 T N -0.806 113.554 114.554 -0.323 0.000 2.778 436 T HA 0.742 5.092 4.350 0.000 0.000 0.293 436 T C 0.819 175.319 174.700 -0.333 0.000 1.144 436 T CA -0.550 61.294 62.100 -0.426 0.000 1.010 436 T CB 0.937 69.192 68.868 -1.022 0.000 1.325 436 T HN 0.994 nan 8.240 nan 0.000 0.515 437 I N -2.202 118.226 120.570 -0.237 0.000 3.956 437 I HA 0.481 4.651 4.170 0.000 0.000 0.333 437 I C 0.169 176.299 176.117 0.023 0.000 1.302 437 I CA -0.899 60.367 61.300 -0.056 0.000 1.122 437 I CB 0.038 38.080 38.000 0.070 0.000 1.013 437 I HN 0.611 nan 8.210 nan 0.000 0.405 438 W N 0.762 122.026 121.300 -0.061 0.000 2.967 438 W HA 0.746 5.406 4.660 0.000 0.000 0.342 438 W C -1.335 175.126 176.519 -0.097 0.000 1.162 438 W CA -1.070 56.236 57.345 -0.064 0.000 1.085 438 W CB 0.622 30.048 29.460 -0.057 0.000 1.460 438 W HN -0.302 nan 8.180 nan 0.000 0.584 439 T N 1.605 116.349 114.554 0.317 0.000 2.971 439 T HA 0.476 4.826 4.350 0.000 0.000 0.304 439 T C -1.190 173.685 174.700 0.292 0.000 1.038 439 T CA -0.343 61.857 62.100 0.166 0.000 1.007 439 T CB 1.897 70.777 68.868 0.019 0.000 1.055 439 T HN 0.579 nan 8.240 nan 0.000 0.451 440 S N 1.119 116.993 115.700 0.290 0.000 2.587 440 S HA 0.840 5.310 4.470 0.000 0.000 0.269 440 S C -1.188 173.486 174.600 0.124 0.000 1.154 440 S CA -0.480 57.822 58.200 0.169 0.000 0.824 440 S CB 1.622 64.883 63.200 0.101 0.000 1.118 440 S HN 1.125 nan 8.310 nan 0.000 0.462 441 G N 1.207 110.044 108.800 0.062 0.000 2.591 441 G HA2 0.609 4.569 3.960 0.000 0.000 0.306 441 G HA3 0.609 4.569 3.960 0.000 0.000 0.306 441 G C -0.799 174.129 174.900 0.046 0.000 1.334 441 G CA -0.424 44.721 45.100 0.074 0.000 0.981 441 G HN 0.720 nan 8.290 nan 0.000 0.491 442 S N -0.531 115.217 115.700 0.080 0.000 2.694 442 S HA 0.832 5.303 4.470 0.000 0.000 0.278 442 S C 0.342 174.992 174.600 0.084 0.000 1.152 442 S CA -0.318 57.916 58.200 0.058 0.000 1.010 442 S CB 1.380 64.633 63.200 0.088 0.000 1.104 442 S HN 1.419 nan 8.310 nan 0.000 0.547 443 S N -0.048 115.693 115.700 0.068 0.000 2.541 443 S HA 0.753 5.223 4.470 0.000 0.000 0.271 443 S C -0.897 173.753 174.600 0.084 0.000 1.133 443 S CA -0.985 57.279 58.200 0.107 0.000 0.876 443 S CB 0.685 63.920 63.200 0.059 0.000 1.105 443 S HN 0.780 nan 8.310 nan 0.000 0.470 444 I N -0.552 120.095 120.570 0.128 0.000 2.934 444 I HA 0.944 5.114 4.170 0.000 0.000 0.306 444 I C -0.649 175.490 176.117 0.036 0.000 1.110 444 I CA -0.974 60.337 61.300 0.017 0.000 1.019 444 I CB 2.251 40.296 38.000 0.074 0.000 1.227 444 I HN 0.919 nan 8.210 nan 0.000 0.434 445 S N 1.690 117.256 115.700 -0.223 0.000 2.596 445 S HA 0.844 5.314 4.470 0.000 0.000 0.270 445 S C -1.281 172.972 174.600 -0.579 0.000 1.155 445 S CA -0.618 57.520 58.200 -0.103 0.000 0.827 445 S CB 1.928 65.287 63.200 0.264 0.000 1.130 445 S HN 0.621 nan 8.310 nan 0.000 0.467 446 F N -1.017 118.697 119.950 -0.395 0.000 2.685 446 F HA 0.810 5.337 4.527 0.000 0.000 0.315 446 F C -0.274 175.410 175.800 -0.193 0.000 1.126 446 F CA -0.894 56.931 58.000 -0.293 0.000 0.950 446 F CB 1.614 40.358 39.000 -0.426 0.000 1.360 446 F HN 0.890 nan 8.300 nan 0.000 0.469 447 c N 0.306 119.020 118.600 0.189 0.000 2.898 447 c HA 0.636 5.206 4.570 0.000 0.000 0.304 447 c C 1.407 175.508 174.090 0.017 0.000 1.237 447 c CA -0.297 56.048 56.329 0.027 0.000 1.529 447 c CB 1.237 43.613 42.510 -0.223 0.000 2.021 447 c HN 1.103 nan 8.230 nan 0.000 0.474 448 G N 1.002 109.650 108.800 -0.253 0.000 3.025 448 G HA2 0.040 4.000 3.960 0.000 0.000 0.219 448 G HA3 0.040 4.000 3.960 0.000 0.000 0.219 448 G C 0.325 174.867 174.900 -0.596 0.000 1.229 448 G CA 1.823 46.496 45.100 -0.713 0.000 0.764 448 G HN 1.601 nan 8.290 nan 0.000 0.857 449 V N -0.907 118.776 119.914 -0.385 0.000 3.345 449 V HA -0.173 3.947 4.120 0.000 0.000 0.481 449 V C 0.714 176.636 176.094 -0.285 0.000 0.682 449 V CA 0.574 62.711 62.300 -0.271 0.000 2.024 449 V CB -0.867 30.843 31.823 -0.188 0.000 2.475 449 V HN 0.795 nan 8.190 nan 0.000 0.501 450 N N 1.410 119.993 118.700 -0.196 0.000 2.251 450 N HA 0.028 4.768 4.740 0.000 0.000 0.181 450 N C 1.170 176.605 175.510 -0.124 0.000 1.019 450 N CA 1.083 54.032 53.050 -0.168 0.000 0.862 450 N CB -0.038 38.374 38.487 -0.125 0.000 0.992 450 N HN 1.079 nan 8.380 nan 0.000 0.429 451 S N -0.138 115.507 115.700 -0.092 0.000 2.641 451 S HA 0.047 4.517 4.470 0.000 0.000 0.251 451 S C 0.100 174.669 174.600 -0.052 0.000 1.332 451 S CA -0.465 57.701 58.200 -0.056 0.000 0.968 451 S CB 0.402 63.580 63.200 -0.035 0.000 0.987 451 S HN 0.191 nan 8.310 nan 0.000 0.587 452 D N -1.322 119.067 120.400 -0.018 0.000 2.385 452 D HA 0.681 5.321 4.640 0.000 0.000 0.254 452 D C 0.163 176.487 176.300 0.041 0.000 1.053 452 D CA -0.270 53.733 54.000 0.005 0.000 0.992 452 D CB 1.730 42.543 40.800 0.021 0.000 1.145 452 D HN 0.681 nan 8.370 nan 0.000 0.523 453 T N -0.740 113.864 114.554 0.083 0.000 2.555 453 T HA 0.694 5.045 4.350 0.000 0.000 0.234 453 T C -0.920 173.885 174.700 0.175 0.000 0.837 453 T CA -0.600 61.588 62.100 0.147 0.000 1.163 453 T CB 0.796 69.790 68.868 0.209 0.000 1.556 453 T HN 0.244 nan 8.240 nan 0.000 0.520 454 V N -0.462 119.610 119.914 0.265 0.000 3.077 454 V HA 0.721 4.841 4.120 0.000 0.000 0.299 454 V C 0.053 176.376 176.094 0.383 0.000 1.276 454 V CA -1.206 61.245 62.300 0.252 0.000 0.993 454 V CB 1.702 33.626 31.823 0.168 0.000 1.076 454 V HN 1.125 nan 8.190 nan 0.000 0.434 455 G N 0.070 109.058 108.800 0.315 0.000 2.477 455 G HA2 0.676 4.636 3.960 0.000 0.000 0.304 455 G HA3 0.676 4.636 3.960 0.000 0.000 0.304 455 G C -1.513 173.607 174.900 0.367 0.000 1.175 455 G CA -0.135 45.188 45.100 0.371 0.000 0.907 455 G HN 0.881 nan 8.290 nan 0.000 0.509 456 W N -1.002 120.304 121.300 0.011 0.000 2.691 456 W HA 0.516 5.177 4.660 0.000 0.000 0.448 456 W C -1.197 175.139 176.519 -0.305 0.000 0.985 456 W CA -0.857 56.292 57.345 -0.327 0.000 1.189 456 W CB 0.817 29.773 29.460 -0.840 0.000 1.456 456 W HN 0.708 nan 8.180 nan 0.000 0.609 457 S N 1.844 117.029 115.700 -0.857 0.000 2.756 457 S HA 0.530 5.001 4.470 0.000 0.000 0.303 457 S C -1.464 172.709 174.600 -0.711 0.000 1.135 457 S CA -0.414 57.459 58.200 -0.545 0.000 1.066 457 S CB 0.203 63.138 63.200 -0.443 0.000 1.008 457 S HN 0.315 nan 8.310 nan 0.000 0.482 458 W N 7.067 128.360 121.300 -0.012 0.000 2.101 458 W HA 0.287 4.947 4.660 0.000 0.000 0.301 458 W C -2.503 174.050 176.519 0.057 0.000 0.846 458 W CA -1.832 55.525 57.345 0.020 0.000 1.823 458 W CB 0.594 30.173 29.460 0.198 0.000 2.007 458 W HN 0.523 nan 8.180 nan 0.000 0.373 459 P HA -0.007 nan 4.420 nan 0.000 0.277 459 P C 0.903 178.297 177.300 0.155 0.000 1.276 459 P CA 0.129 63.313 63.100 0.140 0.000 0.788 459 P CB 1.682 33.413 31.700 0.051 0.000 1.114 460 D N -0.107 120.392 120.400 0.165 0.000 2.097 460 D HA -0.141 4.499 4.640 0.000 0.000 0.195 460 D C 1.208 177.591 176.300 0.138 0.000 0.989 460 D CA 2.006 56.102 54.000 0.160 0.000 0.827 460 D CB -0.724 40.186 40.800 0.184 0.000 0.966 460 D HN 0.698 nan 8.370 nan 0.000 0.456 461 G N 0.526 109.402 108.800 0.127 0.000 2.143 461 G HA2 -0.162 3.798 3.960 0.000 0.000 0.248 461 G HA3 -0.162 3.798 3.960 0.000 0.000 0.248 461 G C 0.319 175.302 174.900 0.139 0.000 0.991 461 G CA 0.682 45.847 45.100 0.109 0.000 0.689 461 G HN 0.768 nan 8.290 nan 0.000 0.522 462 A N -0.255 122.675 122.820 0.183 0.000 2.304 462 A HA 0.707 5.027 4.320 0.000 0.000 0.301 462 A C 0.272 178.014 177.584 0.262 0.000 1.132 462 A CA -0.330 51.861 52.037 0.257 0.000 0.819 462 A CB 0.597 19.792 19.000 0.325 0.000 1.094 462 A HN 0.415 nan 8.150 nan 0.000 0.492 463 E N 1.653 122.040 120.200 0.312 0.000 2.130 463 E HA 0.422 4.772 4.350 0.000 0.000 0.284 463 E C -0.939 175.885 176.600 0.374 0.000 1.018 463 E CA -0.045 56.513 56.400 0.264 0.000 0.817 463 E CB 0.935 30.749 29.700 0.190 0.000 1.078 463 E HN 0.518 nan 8.360 nan 0.000 0.396 464 L N 4.271 125.642 121.223 0.247 0.000 2.334 464 L HA 0.550 4.890 4.340 0.000 0.000 0.270 464 L C -1.654 175.310 176.870 0.155 0.000 1.018 464 L CA -1.988 52.976 54.840 0.208 0.000 0.811 464 L CB 0.927 42.994 42.059 0.013 0.000 1.271 464 L HN 0.431 nan 8.230 nan 0.000 0.443 465 P HA 0.340 nan 4.420 nan 0.000 0.278 465 P C -0.949 176.611 177.300 0.434 0.000 1.266 465 P CA -0.442 62.768 63.100 0.183 0.000 0.807 465 P CB 0.913 32.668 31.700 0.092 0.000 1.094 466 F N -0.334 119.771 119.950 0.259 0.000 2.348 466 F HA 0.140 4.667 4.527 0.000 0.000 0.308 466 F C 2.165 178.056 175.800 0.152 0.000 1.175 466 F CA -0.872 57.266 58.000 0.230 0.000 1.080 466 F CB -0.770 38.415 39.000 0.310 0.000 1.341 466 F HN 0.239 nan 8.300 nan 0.000 0.518 467 T N 1.764 116.454 114.554 0.227 0.000 3.026 467 T HA -0.018 4.332 4.350 0.000 0.000 0.271 467 T C 0.762 175.559 174.700 0.162 0.000 1.149 467 T CA 0.808 62.981 62.100 0.122 0.000 1.088 467 T CB -0.868 68.018 68.868 0.030 0.000 0.857 467 T HN 0.347 nan 8.240 nan 0.000 0.551 468 I N 0.000 120.736 120.570 0.276 0.000 2.984 468 I HA 0.000 4.170 4.170 0.000 0.000 0.288 468 I CA 0.000 61.460 61.300 0.267 0.000 1.566 468 I CB 0.000 38.100 38.000 0.167 0.000 1.214 468 I HN 0.000 nan 8.210 nan 0.000 0.494