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 1inv_1_A DATA FIRST_RESID 77 DATA SEQUENCE EPEWTYPRLS cQGSTFQKAL LISPHRFGEI KGNSAPLIIR EPFVAcGPKE DATA SEQUENCE cRHFALTHYA AQPGGYYNGT RKDRNKLRHL VSVKLGKIPT VENSIFHMAA DATA SEQUENCE WSGSAcHDGR EWTYIGVDGP DNDALVKIKY GEAYTDTYHS YAHNILRTQE DATA SEQUENCE SAcNcIGGDc YLMITDGSAS GISKCRFLKI REGRIIKEIL PTGRVEHTEE DATA SEQUENCE cTcGFASNKT IEcAcRDNSY TAKRPFVKLN VETDTAEIRL McTKTYLDTP DATA SEQUENCE RPDDGSIAGP cESNGDKWLG GIKGGFVHQR MASKIGRWYS RTMSKTNRMG DATA SEQUENCE MELYVRYDGD PWTDSDALTL SGVMVSIEEP GWYSFGFEIK DKKcDVPcIG DATA SEQUENCE IEMVHDGGKD TWHSAATAIY cLMGSGQLLW DTVTGVDMAL 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 77 E HA 0.000 nan 4.350 nan 0.000 0.291 77 E C 0.000 176.508 176.600 -0.154 0.000 1.382 77 E CA 0.000 56.320 56.400 -0.134 0.000 0.976 77 E CB 0.000 29.590 29.700 -0.184 0.000 0.812 78 P HA 0.078 nan 4.420 nan 0.000 0.271 78 P C -0.868 176.303 177.300 -0.215 0.000 1.216 78 P CA -0.335 62.681 63.100 -0.140 0.000 0.776 78 P CB 0.669 32.305 31.700 -0.107 0.000 0.881 79 E N 2.605 122.731 120.200 -0.124 0.000 2.392 79 E HA -0.208 nan 4.350 nan 0.000 0.256 79 E C -0.202 176.374 176.600 -0.039 0.000 1.145 79 E CA -0.362 55.974 56.400 -0.107 0.000 0.929 79 E CB 0.631 30.346 29.700 0.025 0.000 0.998 79 E HN 0.035 8.354 8.360 -0.069 0.000 0.442 80 W N -1.360 119.970 121.300 0.050 0.000 2.093 80 W HA -0.069 nan 4.660 nan 0.000 0.352 80 W C 0.214 176.722 176.519 -0.018 0.000 1.294 80 W CA -0.464 56.869 57.345 -0.020 0.000 1.290 80 W CB 0.758 30.164 29.460 -0.090 0.000 1.149 80 W HN -0.125 8.139 8.180 0.141 0.000 0.606 81 T N 1.881 116.545 114.554 0.185 0.000 2.882 81 T HA 0.340 nan 4.350 nan 0.000 0.287 81 T C -1.591 172.974 174.700 -0.225 0.000 0.992 81 T CA 0.210 62.341 62.100 0.052 0.000 1.076 81 T CB 1.218 70.118 68.868 0.054 0.000 0.961 81 T HN 0.186 8.574 8.240 0.246 0.000 0.490 82 Y N 1.427 121.698 120.300 -0.049 0.000 2.524 82 Y HA 0.344 nan 4.550 nan 0.000 0.347 82 Y C -2.510 173.270 175.900 -0.201 0.000 1.005 82 Y CA -3.403 54.594 58.100 -0.172 0.000 1.025 82 Y CB 3.038 41.425 38.460 -0.122 0.000 1.275 82 Y HN 0.028 8.400 8.280 0.153 0.000 0.460 83 P HA 0.168 nan 4.420 nan 0.000 0.271 83 P C -1.553 175.724 177.300 -0.039 0.000 1.216 83 P CA -0.359 62.652 63.100 -0.148 0.000 0.776 83 P CB 0.625 32.143 31.700 -0.304 0.000 0.881 84 R N 1.411 121.910 120.500 -0.001 0.000 3.055 84 R HA 0.392 nan 4.340 nan 0.000 0.231 84 R C -0.821 175.488 176.300 0.014 0.000 1.443 84 R CA -2.295 53.808 56.100 0.005 0.000 1.063 84 R CB 2.543 32.851 30.300 0.013 0.000 1.514 84 R HN 0.472 9.107 8.270 0.011 -0.359 0.510 85 L N 0.253 121.485 121.223 0.016 0.000 2.417 85 L HA 0.247 nan 4.340 nan 0.000 0.268 85 L C 0.272 177.162 176.870 0.034 0.000 1.158 85 L CA -0.369 54.488 54.840 0.029 0.000 0.819 85 L CB 0.512 42.585 42.059 0.023 0.000 1.112 85 L HN 0.287 8.522 8.230 0.008 0.000 0.458 86 S N 2.483 118.214 115.700 0.051 0.000 2.589 86 S HA 0.061 nan 4.470 nan 0.000 0.265 86 S C -0.225 174.393 174.600 0.029 0.000 1.342 86 S CA 0.631 58.857 58.200 0.044 0.000 1.005 86 S CB 0.667 63.911 63.200 0.074 0.000 0.909 86 S HN -0.231 8.119 8.310 0.067 0.000 0.555 87 c N 1.459 120.062 118.600 0.005 0.000 2.595 87 c HA 0.003 nan 4.570 nan 0.000 0.384 87 c C -0.545 173.551 174.090 0.011 0.000 1.289 87 c CA 0.129 56.456 56.329 -0.002 0.000 2.372 87 c CB 0.043 42.537 42.510 -0.027 0.000 2.593 87 c HN 0.401 8.540 8.230 -0.012 0.085 0.639 88 Q N 1.982 121.789 119.800 0.012 0.000 2.330 88 Q HA -0.136 nan 4.340 nan 0.000 0.279 88 Q C -0.237 175.776 176.000 0.021 0.000 1.024 88 Q CA 0.686 56.504 55.803 0.024 0.000 0.900 88 Q CB 0.348 29.096 28.738 0.017 0.000 1.221 88 Q HN 0.294 8.567 8.270 0.005 0.000 0.396 89 G N 1.604 110.436 108.800 0.054 0.000 2.355 89 G HA2 0.082 nan 3.960 nan 0.000 0.296 89 G HA3 0.082 nan 3.960 nan 0.000 0.296 89 G C -1.601 173.388 174.900 0.149 0.000 1.507 89 G CA 0.119 45.255 45.100 0.061 0.000 0.823 89 G HN -0.371 7.965 8.290 0.077 0.000 0.569 90 S N -3.177 112.630 115.700 0.179 0.000 2.820 90 S HA 0.181 nan 4.470 nan 0.000 0.265 90 S C -0.688 174.147 174.600 0.392 0.000 1.043 90 S CA -0.213 58.167 58.200 0.299 0.000 1.245 90 S CB 2.369 65.686 63.200 0.195 0.000 1.187 90 S HN 0.395 8.781 8.310 0.128 0.000 0.673 91 T N 1.949 116.663 114.554 0.267 0.000 2.868 91 T HA 0.260 nan 4.350 nan 0.000 0.306 91 T C -2.327 172.465 174.700 0.153 0.000 1.224 91 T CA -0.268 61.997 62.100 0.276 0.000 1.012 91 T CB 2.264 71.260 68.868 0.214 0.000 1.221 91 T HN -0.782 7.556 8.240 0.162 0.000 0.499 92 F N 1.278 121.128 119.950 -0.168 0.000 2.399 92 F HA 0.785 nan 4.527 nan 0.000 0.328 92 F C -0.694 175.124 175.800 0.030 0.000 1.084 92 F CA -1.791 56.108 58.000 -0.168 0.000 1.053 92 F CB 1.817 40.682 39.000 -0.226 0.000 1.209 92 F HN 0.295 8.778 8.300 0.305 0.000 0.502 93 Q N -1.127 118.771 119.800 0.164 0.000 2.456 93 Q HA 0.352 nan 4.340 nan 0.000 0.284 93 Q C -1.790 174.196 176.000 -0.022 0.000 1.061 93 Q CA -2.244 53.648 55.803 0.149 0.000 0.799 93 Q CB 4.707 33.469 28.738 0.040 0.000 1.445 93 Q HN 0.695 8.967 8.270 0.003 0.000 0.411 94 K N 1.682 121.991 120.400 -0.152 0.000 2.447 94 K HA -0.186 nan 4.320 nan 0.000 0.281 94 K C -0.860 175.530 176.600 -0.351 0.000 1.031 94 K CA 1.093 56.985 56.287 -0.658 0.000 1.019 94 K CB 0.252 32.600 32.500 -0.253 0.000 0.918 94 K HN 0.453 8.757 8.250 0.090 0.000 0.476 95 A N 7.677 130.259 122.820 -0.397 0.000 1.993 95 A HA 0.243 nan 4.320 nan 0.000 0.202 95 A C -1.205 176.312 177.584 -0.111 0.000 1.461 95 A CA 0.459 52.384 52.037 -0.187 0.000 0.824 95 A CB 1.474 20.382 19.000 -0.154 0.000 1.024 95 A HN 0.634 8.416 8.150 -0.614 0.000 0.507 96 L N -1.533 119.625 121.223 -0.110 0.000 2.582 96 L HA 0.319 nan 4.340 nan 0.000 0.257 96 L C -2.672 174.188 176.870 -0.016 0.000 0.974 96 L CA 0.662 55.481 54.840 -0.036 0.000 0.851 96 L CB 4.306 46.365 42.059 0.000 0.000 1.424 96 L HN -0.655 7.473 8.230 -0.170 0.000 0.412 97 L N 2.784 124.017 121.223 0.016 0.000 2.406 97 L HA 0.651 nan 4.340 nan 0.000 0.272 97 L C -1.508 175.404 176.870 0.069 0.000 0.980 97 L CA -0.363 54.504 54.840 0.044 0.000 0.831 97 L CB 2.143 44.223 42.059 0.035 0.000 1.253 97 L HN 0.127 8.369 8.230 0.020 0.000 0.406 98 I N 9.281 129.909 120.570 0.097 0.000 2.388 98 I HA 0.245 nan 4.170 nan 0.000 0.281 98 I C -1.634 174.565 176.117 0.136 0.000 1.046 98 I CA -1.499 59.880 61.300 0.133 0.000 1.187 98 I CB -0.834 37.290 38.000 0.208 0.000 1.351 98 I HN 0.596 8.866 8.210 0.100 0.000 0.472 99 S N 7.441 123.201 115.700 0.100 0.000 2.328 99 S HA 0.465 nan 4.470 nan 0.000 0.204 99 S C -0.649 173.945 174.600 -0.011 0.000 1.475 99 S CA -4.182 54.061 58.200 0.073 0.000 1.148 99 S CB 0.625 63.841 63.200 0.026 0.000 1.077 99 S HN 0.508 8.878 8.310 0.100 0.000 0.479 100 P HA -0.080 nan 4.420 nan 0.000 0.220 100 P C 0.827 177.934 177.300 -0.322 0.000 1.148 100 P CA 1.568 64.586 63.100 -0.136 0.000 0.803 100 P CB 0.081 31.609 31.700 -0.287 0.000 0.782 101 H N -3.248 115.776 119.070 -0.075 0.000 2.553 101 H HA 0.057 nan 4.556 nan 0.000 0.269 101 H C 1.805 176.960 175.328 -0.288 0.000 1.011 101 H CA 1.536 57.454 56.048 -0.217 0.000 1.150 101 H CB -1.036 28.557 29.762 -0.281 0.000 1.339 101 H HN 0.205 8.338 8.280 -0.189 0.034 0.604 102 R N -0.468 119.787 120.500 -0.407 0.000 2.276 102 R HA -0.093 nan 4.340 nan 0.000 0.203 102 R C 0.784 176.629 176.300 -0.757 0.000 1.017 102 R CA 1.153 56.875 56.100 -0.631 0.000 1.010 102 R CB -0.021 29.728 30.300 -0.918 0.000 0.900 102 R HN -0.601 7.323 8.270 -0.430 0.088 0.469 103 F N -3.595 116.308 119.950 -0.077 0.000 2.791 103 F HA 0.275 nan 4.527 nan 0.000 0.308 103 F C -0.847 174.897 175.800 -0.092 0.000 1.138 103 F CA -1.361 56.593 58.000 -0.077 0.000 1.294 103 F CB 0.064 39.014 39.000 -0.084 0.000 0.975 103 F HN -0.618 7.308 8.300 -0.340 0.170 0.512 104 G N -2.241 106.551 108.800 -0.013 0.000 3.277 104 G HA2 0.004 nan 3.960 nan 0.000 0.243 104 G HA3 0.004 nan 3.960 nan 0.000 0.243 104 G C -0.874 173.995 174.900 -0.053 0.000 1.107 104 G CA -0.594 44.471 45.100 -0.059 0.000 0.771 104 G HN -0.822 7.274 8.290 -0.078 0.147 0.544 105 E N 1.132 121.324 120.200 -0.014 0.000 2.442 105 E HA -0.237 nan 4.350 nan 0.000 0.262 105 E C 0.489 177.097 176.600 0.014 0.000 1.004 105 E CA 0.367 56.770 56.400 0.005 0.000 0.928 105 E CB 0.466 30.175 29.700 0.015 0.000 0.937 105 E HN -0.661 7.637 8.360 -0.003 0.060 0.446 106 I N 4.635 125.220 120.570 0.026 0.000 2.248 106 I HA -0.421 nan 4.170 nan 0.000 0.248 106 I C 0.555 176.684 176.117 0.019 0.000 1.107 106 I CA 2.716 64.033 61.300 0.028 0.000 1.373 106 I CB -0.439 37.584 38.000 0.038 0.000 1.055 106 I HN 0.275 8.389 8.210 0.036 0.117 0.418 107 K N -1.466 118.946 120.400 0.021 0.000 2.288 107 K HA -0.112 nan 4.320 nan 0.000 0.201 107 K C 0.416 177.027 176.600 0.020 0.000 1.048 107 K CA 0.255 56.553 56.287 0.018 0.000 0.956 107 K CB -0.030 32.482 32.500 0.019 0.000 0.746 107 K HN 0.026 8.278 8.250 0.023 0.012 0.461 108 G N 0.064 108.880 108.800 0.026 0.000 2.588 108 G HA2 -0.090 nan 3.960 nan 0.000 0.278 108 G HA3 -0.090 nan 3.960 nan 0.000 0.278 108 G C -0.766 174.146 174.900 0.019 0.000 1.307 108 G CA -0.192 44.928 45.100 0.034 0.000 1.016 108 G HN -0.440 7.677 8.290 0.025 0.188 0.503 109 N N -1.910 116.799 118.700 0.016 0.000 2.299 109 N HA 0.180 nan 4.740 nan 0.000 0.246 109 N C -1.026 174.476 175.510 -0.013 0.000 1.254 109 N CA -0.079 52.969 53.050 -0.002 0.000 0.879 109 N CB 1.178 39.658 38.487 -0.011 0.000 1.214 109 N HN 0.117 8.513 8.380 0.026 0.000 0.510 110 S N 0.953 116.653 115.700 -0.000 0.000 2.745 110 S HA 0.311 nan 4.470 nan 0.000 0.292 110 S C -1.119 173.474 174.600 -0.012 0.000 1.133 110 S CA -0.623 57.567 58.200 -0.016 0.000 0.998 110 S CB 2.092 65.292 63.200 0.000 0.000 1.087 110 S HN -0.332 7.991 8.310 0.021 0.000 0.551 111 A N 0.828 123.632 122.820 -0.026 0.000 3.297 111 A HA 0.276 nan 4.320 nan 0.000 0.304 111 A C -2.513 175.050 177.584 -0.034 0.000 0.963 111 A CA -1.832 50.194 52.037 -0.018 0.000 0.935 111 A CB -0.263 18.731 19.000 -0.010 0.000 1.093 111 A HN 0.273 8.396 8.150 -0.044 0.000 0.480 112 P HA 0.160 nan 4.420 nan 0.000 0.271 112 P C -1.269 175.996 177.300 -0.058 0.000 1.216 112 P CA -0.259 62.765 63.100 -0.128 0.000 0.771 112 P CB 0.433 31.948 31.700 -0.309 0.000 0.864 113 L N 1.602 122.791 121.223 -0.057 0.000 2.436 113 L HA 0.270 nan 4.340 nan 0.000 0.265 113 L C 0.145 177.085 176.870 0.117 0.000 1.168 113 L CA -0.412 54.438 54.840 0.017 0.000 0.815 113 L CB 0.927 42.948 42.059 -0.063 0.000 1.109 113 L HN -0.380 7.785 8.230 -0.108 0.000 0.462 114 I N 1.576 122.257 120.570 0.186 0.000 2.301 114 I HA 0.131 nan 4.170 nan 0.000 0.292 114 I C -1.121 175.136 176.117 0.234 0.000 1.046 114 I CA 0.360 61.817 61.300 0.261 0.000 1.282 114 I CB -0.797 37.380 38.000 0.295 0.000 1.409 114 I HN 0.283 8.600 8.210 0.179 0.000 0.484 115 I N 3.187 123.882 120.570 0.208 0.000 3.239 115 I HA 0.935 nan 4.170 nan 0.000 0.314 115 I C -1.776 174.414 176.117 0.121 0.000 1.126 115 I CA -2.282 59.094 61.300 0.127 0.000 0.973 115 I CB 3.904 41.922 38.000 0.030 0.000 1.252 115 I HN 0.200 8.564 8.210 0.257 0.000 0.463 116 R N -1.945 118.602 120.500 0.077 0.000 2.728 116 R HA 0.248 nan 4.340 nan 0.000 0.274 116 R C -1.547 174.789 176.300 0.060 0.000 1.032 116 R CA -1.214 54.912 56.100 0.044 0.000 0.866 116 R CB 4.468 34.819 30.300 0.085 0.000 1.263 116 R HN -0.277 8.027 8.270 0.058 0.000 0.475 117 E N -2.189 118.036 120.200 0.043 0.000 2.271 117 E HA -0.289 nan 4.350 nan 0.000 0.223 117 E C -2.436 174.308 176.600 0.240 0.000 1.223 117 E CA 0.834 57.323 56.400 0.148 0.000 0.704 117 E CB -1.924 27.886 29.700 0.183 0.000 1.194 117 E HN 0.119 8.844 8.360 -0.032 -0.384 0.375 118 P HA 0.226 nan 4.420 nan 0.000 0.281 118 P C -1.796 175.526 177.300 0.038 0.000 1.249 118 P CA -0.321 62.872 63.100 0.155 0.000 0.810 118 P CB 0.969 32.831 31.700 0.270 0.000 1.008 119 F N -4.167 115.606 119.950 -0.294 0.000 2.745 119 F HA 0.312 nan 4.527 nan 0.000 0.316 119 F C -2.637 172.879 175.800 -0.474 0.000 1.155 119 F CA -1.821 55.573 58.000 -1.010 0.000 0.937 119 F CB 2.292 40.880 39.000 -0.686 0.000 1.361 119 F HN 0.371 8.439 8.300 -0.386 0.000 0.472 120 V N -1.494 118.215 119.914 -0.342 0.000 2.789 120 V HA 0.691 nan 4.120 nan 0.000 0.311 120 V C -1.674 174.449 176.094 0.048 0.000 1.073 120 V CA -1.418 60.721 62.300 -0.268 0.000 0.921 120 V CB 3.142 34.392 31.823 -0.955 0.000 1.009 120 V HN 0.193 8.093 8.190 -0.483 0.000 0.426 121 A N 4.460 127.438 122.820 0.265 0.000 2.455 121 A HA 0.626 nan 4.320 nan 0.000 0.300 121 A C -2.354 175.552 177.584 0.535 0.000 1.040 121 A CA -1.140 51.181 52.037 0.474 0.000 0.697 121 A CB 3.215 22.616 19.000 0.668 0.000 1.265 121 A HN 0.286 8.592 8.150 0.260 0.000 0.407 122 c N 1.448 120.282 118.600 0.390 0.000 2.493 122 c HA 0.942 nan 4.570 nan 0.000 0.326 122 c C 0.358 174.478 174.090 0.050 0.000 1.200 122 c CA -1.782 54.714 56.329 0.279 0.000 1.739 122 c CB 2.785 45.438 42.510 0.238 0.000 2.300 122 c HN 0.659 9.102 8.230 0.354 0.000 0.500 123 G N 0.338 109.057 108.800 -0.134 0.000 2.671 123 G HA2 0.498 nan 3.960 nan 0.000 0.275 123 G HA3 0.498 nan 3.960 nan 0.000 0.275 123 G C -2.345 172.401 174.900 -0.258 0.000 1.368 123 G CA -1.116 43.651 45.100 -0.553 0.000 1.044 123 G HN 0.625 8.928 8.290 0.022 0.000 0.543 124 P HA 0.021 nan 4.420 nan 0.000 0.222 124 P C -0.165 177.094 177.300 -0.069 0.000 1.153 124 P CA 1.440 64.476 63.100 -0.107 0.000 0.798 124 P CB 0.506 32.159 31.700 -0.079 0.000 0.796 125 K N -3.578 116.768 120.400 -0.089 0.000 2.646 125 K HA 0.352 nan 4.320 nan 0.000 0.206 125 K C -1.520 175.079 176.600 -0.002 0.000 1.069 125 K CA -1.288 54.979 56.287 -0.033 0.000 1.067 125 K CB -0.543 31.942 32.500 -0.026 0.000 0.807 125 K HN -0.103 8.026 8.250 -0.164 0.023 0.482 126 E N -2.149 118.059 120.200 0.013 0.000 2.500 126 E HA 0.043 nan 4.350 nan 0.000 0.288 126 E C -2.971 173.709 176.600 0.133 0.000 1.147 126 E CA 0.159 56.600 56.400 0.068 0.000 0.916 126 E CB 2.125 31.877 29.700 0.087 0.000 1.181 126 E HN -0.738 7.614 8.360 -0.013 0.000 0.433 127 c N 2.367 121.041 118.600 0.124 0.000 2.391 127 c HA 0.954 nan 4.570 nan 0.000 0.339 127 c C -0.548 173.583 174.090 0.069 0.000 1.205 127 c CA -1.622 54.795 56.329 0.147 0.000 1.937 127 c CB 1.606 44.175 42.510 0.097 0.000 2.341 127 c HN 0.714 8.995 8.230 0.084 0.000 0.516 128 R N 0.882 121.410 120.500 0.046 0.000 2.740 128 R HA 0.726 nan 4.340 nan 0.000 0.282 128 R C -1.997 174.116 176.300 -0.311 0.000 0.969 128 R CA -1.560 54.368 56.100 -0.287 0.000 0.918 128 R CB 3.421 33.277 30.300 -0.741 0.000 1.175 128 R HN 0.876 9.274 8.270 0.213 0.000 0.464 129 H N 3.393 122.134 119.070 -0.547 0.000 2.673 129 H HA 0.427 nan 4.556 nan 0.000 0.293 129 H C -1.284 173.669 175.328 -0.624 0.000 1.065 129 H CA -2.307 53.479 56.048 -0.437 0.000 1.236 129 H CB 1.681 31.281 29.762 -0.270 0.000 1.389 129 H HN 0.509 8.552 8.280 -0.394 0.000 0.481 130 F N 6.367 126.006 119.950 -0.518 0.000 2.408 130 F HA 0.560 nan 4.527 nan 0.000 0.325 130 F C -1.517 173.897 175.800 -0.642 0.000 1.082 130 F CA -1.081 56.477 58.000 -0.737 0.000 1.032 130 F CB 2.427 40.694 39.000 -1.221 0.000 1.259 130 F HN 0.181 8.330 8.300 -0.251 0.000 0.503 131 A N -1.952 120.732 122.820 -0.226 0.000 2.544 131 A HA 0.584 nan 4.320 nan 0.000 0.291 131 A C -2.699 174.859 177.584 -0.043 0.000 1.055 131 A CA 0.150 52.116 52.037 -0.118 0.000 0.651 131 A CB 3.061 21.964 19.000 -0.162 0.000 1.296 131 A HN 0.383 8.451 8.150 -0.137 0.000 0.431 132 L N -1.132 120.099 121.223 0.013 0.000 2.276 132 L HA 0.704 nan 4.340 nan 0.000 0.286 132 L C -0.496 176.352 176.870 -0.037 0.000 1.024 132 L CA -1.426 53.424 54.840 0.017 0.000 0.826 132 L CB 0.156 42.256 42.059 0.068 0.000 1.211 132 L HN -0.105 8.147 8.230 0.037 0.000 0.422 133 T N 5.750 120.272 114.554 -0.054 0.000 2.902 133 T HA 0.408 nan 4.350 nan 0.000 0.280 133 T C 0.298 175.000 174.700 0.003 0.000 0.992 133 T CA -1.465 60.619 62.100 -0.027 0.000 1.015 133 T CB 1.710 70.520 68.868 -0.096 0.000 1.044 133 T HN 0.903 9.112 8.240 -0.051 0.000 0.520 134 H N 5.627 124.810 119.070 0.188 0.000 2.517 134 H HA 0.080 nan 4.556 nan 0.000 0.282 134 H C -0.210 175.311 175.328 0.321 0.000 1.023 134 H CA -0.678 55.516 56.048 0.245 0.000 1.169 134 H CB 0.370 30.266 29.762 0.223 0.000 1.454 134 H HN 0.530 8.968 8.280 0.262 0.000 0.556 135 Y N -2.784 117.657 120.300 0.235 0.000 3.234 135 Y HA -0.569 nan 4.550 nan 0.000 0.207 135 Y C -1.531 174.462 175.900 0.156 0.000 1.316 135 Y CA 0.331 58.548 58.100 0.196 0.000 1.309 135 Y CB -1.984 36.546 38.460 0.116 0.000 1.408 135 Y HN -0.430 7.904 8.280 0.244 0.093 0.544 136 A N -2.535 120.487 122.820 0.336 0.000 2.606 136 A HA 0.294 nan 4.320 nan 0.000 0.293 136 A C -2.856 174.888 177.584 0.265 0.000 1.082 136 A CA -0.580 51.656 52.037 0.332 0.000 0.685 136 A CB 3.698 22.938 19.000 0.399 0.000 1.284 136 A HN -0.442 7.881 8.150 0.288 0.000 0.408 137 A N -0.531 122.434 122.820 0.242 0.000 2.435 137 A HA 0.884 nan 4.320 nan 0.000 0.296 137 A C -2.113 175.578 177.584 0.179 0.000 1.147 137 A CA -0.960 51.178 52.037 0.167 0.000 0.775 137 A CB 3.058 22.119 19.000 0.101 0.000 1.340 137 A HN 0.124 8.434 8.150 0.266 0.000 0.427 138 Q N 0.131 119.973 119.800 0.070 0.000 2.325 138 Q HA 0.515 nan 4.340 nan 0.000 0.270 138 Q C -2.623 173.358 176.000 -0.033 0.000 1.020 138 Q CA -3.543 52.248 55.803 -0.020 0.000 0.785 138 Q CB 2.750 31.240 28.738 -0.414 0.000 1.259 138 Q HN -0.152 8.142 8.270 0.040 0.000 0.452 139 P HA 0.160 nan 4.420 nan 0.000 0.274 139 P C -1.818 175.502 177.300 0.035 0.000 1.237 139 P CA -0.648 62.485 63.100 0.054 0.000 0.793 139 P CB 0.362 32.076 31.700 0.022 0.000 0.977 140 G N -0.867 107.893 108.800 -0.067 0.000 2.428 140 G HA2 0.022 nan 3.960 nan 0.000 0.304 140 G HA3 0.022 nan 3.960 nan 0.000 0.304 140 G C -1.933 172.635 174.900 -0.553 0.000 1.303 140 G CA 0.370 45.348 45.100 -0.202 0.000 0.825 140 G HN -0.618 7.623 8.290 -0.081 0.000 0.484 141 G N -2.307 106.150 108.800 -0.571 0.000 3.695 141 G HA2 0.210 nan 3.960 nan 0.000 0.277 141 G HA3 0.210 nan 3.960 nan 0.000 0.277 141 G C -0.504 173.933 174.900 -0.771 0.000 1.001 141 G CA 0.141 44.805 45.100 -0.726 0.000 0.837 141 G HN -0.062 7.969 8.290 -0.432 0.000 0.492 142 Y N -0.887 119.306 120.300 -0.178 0.000 2.685 142 Y HA 0.320 nan 4.550 nan 0.000 0.339 142 Y C -0.450 175.551 175.900 0.169 0.000 0.961 142 Y CA -2.171 55.936 58.100 0.011 0.000 1.330 142 Y CB -0.865 37.638 38.460 0.071 0.000 1.269 142 Y HN -0.069 8.055 8.280 -0.261 0.000 0.566 143 Y N -1.409 118.980 120.300 0.148 0.000 2.395 143 Y HA -0.171 nan 4.550 nan 0.000 0.293 143 Y C 0.413 176.364 175.900 0.086 0.000 1.123 143 Y CA -1.132 57.053 58.100 0.142 0.000 1.227 143 Y CB -0.159 38.394 38.460 0.155 0.000 1.012 143 Y HN -0.352 7.827 8.280 -0.064 0.063 0.552 144 N N 0.442 119.274 118.700 0.221 0.000 2.438 144 N HA -0.248 nan 4.740 nan 0.000 0.267 144 N C 0.594 176.162 175.510 0.096 0.000 1.222 144 N CA 1.414 54.540 53.050 0.127 0.000 0.930 144 N CB -0.093 38.451 38.487 0.095 0.000 1.083 144 N HN -0.333 8.163 8.380 0.194 0.000 0.476 145 G N 4.659 113.477 108.800 0.030 0.000 2.179 145 G HA2 -0.277 nan 3.960 nan 0.000 0.220 145 G HA3 -0.277 nan 3.960 nan 0.000 0.220 145 G C 0.584 175.380 174.900 -0.174 0.000 0.990 145 G CA 0.054 45.145 45.100 -0.014 0.000 0.646 145 G HN 0.420 8.720 8.290 0.016 0.000 0.517 146 T N -4.578 109.839 114.554 -0.229 0.000 3.148 146 T HA -0.049 nan 4.350 nan 0.000 0.253 146 T C 0.448 174.876 174.700 -0.453 0.000 1.134 146 T CA 0.905 62.646 62.100 -0.598 0.000 1.051 146 T CB -0.077 68.698 68.868 -0.154 0.000 0.959 146 T HN -0.320 7.832 8.240 -0.066 0.048 0.525 147 R N -1.179 119.152 120.500 -0.281 0.000 2.308 147 R HA 0.041 nan 4.340 nan 0.000 0.202 147 R C -0.599 175.619 176.300 -0.138 0.000 0.898 147 R CA -0.011 55.893 56.100 -0.327 0.000 1.046 147 R CB 0.643 30.698 30.300 -0.408 0.000 1.026 147 R HN -0.137 7.933 8.270 -0.215 0.070 0.512 148 K N 0.395 120.752 120.400 -0.071 0.000 2.326 148 K HA -0.075 nan 4.320 nan 0.000 0.275 148 K C 0.297 176.991 176.600 0.157 0.000 1.018 148 K CA -0.094 56.208 56.287 0.024 0.000 0.962 148 K CB 0.956 33.473 32.500 0.028 0.000 0.953 148 K HN -0.914 7.098 8.250 -0.130 0.159 0.475 149 D N 4.115 124.568 120.400 0.087 0.000 2.197 149 D HA -0.105 nan 4.640 nan 0.000 0.212 149 D C 0.465 176.780 176.300 0.025 0.000 0.963 149 D CA 2.661 56.715 54.000 0.091 0.000 0.864 149 D CB 0.685 41.498 40.800 0.021 0.000 1.009 149 D HN 0.411 8.794 8.370 0.022 0.000 0.479 150 R N -1.644 118.772 120.500 -0.140 0.000 2.599 150 R HA 0.218 nan 4.340 nan 0.000 0.295 150 R C -2.177 174.043 176.300 -0.133 0.000 0.963 150 R CA -0.429 55.451 56.100 -0.367 0.000 0.883 150 R CB 1.581 31.247 30.300 -1.058 0.000 1.171 150 R HN -0.113 8.077 8.270 -0.132 0.000 0.450 151 N N 0.991 119.718 118.700 0.045 0.000 3.261 151 N HA 0.001 nan 4.740 nan 0.000 0.248 151 N C -0.413 175.239 175.510 0.236 0.000 1.498 151 N CA -0.195 52.933 53.050 0.129 0.000 0.884 151 N CB 1.151 39.731 38.487 0.154 0.000 1.428 151 N HN 0.112 8.589 8.380 0.162 0.000 0.517 152 K N -1.985 118.522 120.400 0.178 0.000 2.444 152 K HA 0.050 nan 4.320 nan 0.000 0.193 152 K C -0.413 176.289 176.600 0.169 0.000 1.024 152 K CA 1.247 57.633 56.287 0.165 0.000 1.077 152 K CB -0.366 32.196 32.500 0.103 0.000 0.833 152 K HN 0.322 8.653 8.250 0.135 0.000 0.517 153 L N -1.790 119.558 121.223 0.207 0.000 2.408 153 L HA 0.051 nan 4.340 nan 0.000 0.215 153 L C 0.288 177.439 176.870 0.467 0.000 1.081 153 L CA -0.109 54.892 54.840 0.268 0.000 0.840 153 L CB 0.422 42.594 42.059 0.190 0.000 1.002 153 L HN -0.200 8.354 8.230 0.209 -0.199 0.468 154 R N -0.951 119.747 120.500 0.329 0.000 2.585 154 R HA -0.199 nan 4.340 nan 0.000 0.275 154 R C -0.599 175.874 176.300 0.288 0.000 1.018 154 R CA 1.484 57.741 56.100 0.262 0.000 1.072 154 R CB -0.001 30.384 30.300 0.142 0.000 0.953 154 R HN -0.304 8.411 8.270 0.281 -0.277 0.419 155 H N 1.165 120.316 119.070 0.135 0.000 2.851 155 H HA 0.497 nan 4.556 nan 0.000 0.372 155 H C -1.912 173.419 175.328 0.005 0.000 1.158 155 H CA -0.561 55.555 56.048 0.114 0.000 1.159 155 H CB 4.150 34.039 29.762 0.211 0.000 1.757 155 H HN -0.069 8.371 8.280 0.266 0.000 0.546 156 L N 3.653 124.950 121.223 0.124 0.000 2.281 156 L HA 0.522 nan 4.340 nan 0.000 0.285 156 L C -2.082 174.815 176.870 0.044 0.000 1.074 156 L CA -0.097 54.805 54.840 0.104 0.000 0.817 156 L CB 0.826 42.981 42.059 0.159 0.000 1.168 156 L HN 0.325 8.623 8.230 0.113 0.000 0.434 157 V N 0.916 120.766 119.914 -0.106 0.000 3.126 157 V HA 0.956 nan 4.120 nan 0.000 0.314 157 V C -2.079 173.854 176.094 -0.268 0.000 1.138 157 V CA -3.287 58.798 62.300 -0.358 0.000 1.034 157 V CB 3.643 35.014 31.823 -0.753 0.000 1.075 157 V HN 0.970 9.104 8.190 -0.093 0.000 0.442 158 S N -1.444 114.002 115.700 -0.423 0.000 2.565 158 S HA 0.695 nan 4.470 nan 0.000 0.269 158 S C -2.046 172.262 174.600 -0.488 0.000 1.153 158 S CA -0.879 56.975 58.200 -0.577 0.000 0.835 158 S CB 2.954 65.543 63.200 -1.018 0.000 1.122 158 S HN -0.128 7.868 8.310 -0.523 0.000 0.462 159 V N -6.929 112.700 119.914 -0.476 0.000 3.130 159 V HA 0.480 nan 4.120 nan 0.000 0.310 159 V C -2.014 173.914 176.094 -0.275 0.000 1.158 159 V CA -2.801 59.308 62.300 -0.318 0.000 1.029 159 V CB 3.528 35.200 31.823 -0.252 0.000 1.057 159 V HN 0.126 7.982 8.190 -0.557 0.000 0.436 160 K N 0.287 120.582 120.400 -0.175 0.000 2.326 160 K HA 0.134 nan 4.320 nan 0.000 0.275 160 K C -0.441 176.116 176.600 -0.072 0.000 1.018 160 K CA 0.282 56.501 56.287 -0.114 0.000 0.962 160 K CB 1.122 33.583 32.500 -0.065 0.000 0.953 160 K HN 0.239 8.397 8.250 -0.154 0.000 0.475 161 L N 6.105 127.300 121.223 -0.045 0.000 2.584 161 L HA -0.242 nan 4.340 nan 0.000 0.272 161 L C -0.095 176.778 176.870 0.004 0.000 1.195 161 L CA 1.959 56.792 54.840 -0.012 0.000 0.920 161 L CB -0.110 41.936 42.059 -0.021 0.000 1.173 161 L HN 0.432 8.526 8.230 -0.049 0.106 0.489 162 G N 3.749 112.563 108.800 0.024 0.000 2.284 162 G HA2 -0.162 nan 3.960 nan 0.000 0.201 162 G HA3 -0.162 nan 3.960 nan 0.000 0.201 162 G C -0.845 174.060 174.900 0.009 0.000 0.998 162 G CA -0.369 44.742 45.100 0.019 0.000 0.651 162 G HN 0.111 8.434 8.290 0.056 0.000 0.489 163 K N 1.128 121.523 120.400 -0.008 0.000 2.110 163 K HA 0.341 nan 4.320 nan 0.000 0.263 163 K C -0.661 175.920 176.600 -0.032 0.000 0.975 163 K CA -1.630 54.634 56.287 -0.037 0.000 0.895 163 K CB 1.101 33.559 32.500 -0.070 0.000 1.060 163 K HN -0.223 7.960 8.250 -0.009 0.061 0.448 164 I N 1.623 122.163 120.570 -0.050 0.000 2.471 164 I HA 0.083 nan 4.170 nan 0.000 0.286 164 I C -1.208 174.847 176.117 -0.104 0.000 1.079 164 I CA -4.522 56.752 61.300 -0.043 0.000 1.398 164 I CB -1.161 36.813 38.000 -0.044 0.000 1.403 164 I HN 0.444 8.613 8.210 -0.069 0.000 0.530 165 P HA 0.126 nan 4.420 nan 0.000 0.263 165 P C -1.480 175.718 177.300 -0.169 0.000 1.601 165 P CA -0.430 62.546 63.100 -0.207 0.000 1.161 165 P CB -1.136 30.387 31.700 -0.296 0.000 1.730 166 T N -0.872 113.597 114.554 -0.140 0.000 2.923 166 T HA 0.520 nan 4.350 nan 0.000 0.281 166 T C 1.043 175.696 174.700 -0.079 0.000 0.995 166 T CA -2.413 59.625 62.100 -0.104 0.000 0.985 166 T CB 2.707 71.519 68.868 -0.093 0.000 1.114 166 T HN -0.377 7.778 8.240 -0.142 0.000 0.548 167 V N 0.312 120.207 119.914 -0.032 0.000 2.282 167 V HA -0.423 nan 4.120 nan 0.000 0.249 167 V C 1.674 177.783 176.094 0.025 0.000 1.057 167 V CA 3.945 66.259 62.300 0.024 0.000 1.032 167 V CB -0.586 31.251 31.823 0.022 0.000 0.645 167 V HN 0.434 8.604 8.190 -0.033 0.000 0.447 168 E N -2.729 117.459 120.200 -0.020 0.000 2.170 168 E HA -0.139 nan 4.350 nan 0.000 0.191 168 E C 1.133 177.704 176.600 -0.049 0.000 0.981 168 E CA 1.684 58.066 56.400 -0.030 0.000 0.830 168 E CB -0.110 29.564 29.700 -0.042 0.000 0.775 168 E HN -0.021 8.312 8.360 -0.035 0.006 0.470 169 N N -1.031 117.624 118.700 -0.076 0.000 2.354 169 N HA -0.085 nan 4.740 nan 0.000 0.179 169 N C 0.074 175.503 175.510 -0.135 0.000 1.021 169 N CA 1.530 54.519 53.050 -0.102 0.000 0.887 169 N CB 0.838 39.255 38.487 -0.116 0.000 0.974 169 N HN -0.509 7.824 8.380 -0.078 0.000 0.437 170 S N -1.207 114.400 115.700 -0.154 0.000 2.603 170 S HA 0.076 nan 4.470 nan 0.000 0.268 170 S C -0.899 173.573 174.600 -0.213 0.000 1.317 170 S CA 0.783 58.826 58.200 -0.262 0.000 1.012 170 S CB 0.920 63.877 63.200 -0.405 0.000 0.926 170 S HN -0.516 7.696 8.310 -0.117 0.027 0.539 171 I N 2.152 122.504 120.570 -0.363 0.000 2.474 171 I HA 0.147 nan 4.170 nan 0.000 0.294 171 I C -1.150 174.619 176.117 -0.580 0.000 1.005 171 I CA -0.900 60.193 61.300 -0.345 0.000 1.113 171 I CB 2.320 40.042 38.000 -0.464 0.000 1.289 171 I HN -0.005 7.931 8.210 -0.456 0.000 0.436 172 F N 6.440 126.115 119.950 -0.460 0.000 2.391 172 F HA 0.289 nan 4.527 nan 0.000 0.359 172 F C -0.560 175.035 175.800 -0.342 0.000 1.122 172 F CA -0.440 57.349 58.000 -0.352 0.000 1.120 172 F CB 0.100 38.948 39.000 -0.253 0.000 1.142 172 F HN 0.063 8.473 8.300 0.183 0.000 0.483 173 H N 2.280 121.344 119.070 -0.011 0.000 2.355 173 H HA 0.065 nan 4.556 nan 0.000 0.303 173 H C -0.428 174.937 175.328 0.062 0.000 1.061 173 H CA 2.221 58.190 56.048 -0.131 0.000 1.368 173 H CB 2.007 31.543 29.762 -0.377 0.000 1.412 173 H HN 0.565 8.718 8.280 -0.213 0.000 0.523 174 M N -7.195 112.567 119.600 0.269 0.000 2.853 174 M HA 0.234 nan 4.480 nan 0.000 0.273 174 M C -2.965 173.285 176.300 -0.083 0.000 1.128 174 M CA -0.601 54.823 55.300 0.206 0.000 0.814 174 M CB 2.835 35.575 32.600 0.233 0.000 1.667 174 M HN -0.796 7.653 8.290 0.266 0.000 0.519 175 A N -0.878 121.708 122.820 -0.389 0.000 2.454 175 A HA 0.497 nan 4.320 nan 0.000 0.260 175 A C -1.671 175.710 177.584 -0.338 0.000 1.106 175 A CA 0.024 51.610 52.037 -0.753 0.000 0.780 175 A CB -0.342 18.369 19.000 -0.480 0.000 1.044 175 A HN 0.476 8.516 8.150 -0.183 0.000 0.498 176 A N 4.135 126.802 122.820 -0.256 0.000 2.582 176 A HA 0.528 nan 4.320 nan 0.000 0.297 176 A C -1.737 175.820 177.584 -0.044 0.000 1.059 176 A CA 0.173 52.070 52.037 -0.233 0.000 0.705 176 A CB 2.197 21.110 19.000 -0.146 0.000 1.279 176 A HN 0.163 8.054 8.150 -0.239 0.115 0.404 177 W N -2.753 118.553 121.300 0.012 0.000 2.991 177 W HA 0.386 nan 4.660 nan 0.000 0.391 177 W C -1.166 175.380 176.519 0.045 0.000 1.054 177 W CA -2.094 55.264 57.345 0.022 0.000 1.856 177 W CB 1.669 31.147 29.460 0.029 0.000 1.132 177 W HN 0.806 8.542 8.180 -0.740 0.000 0.601 178 S N 0.162 115.991 115.700 0.215 0.000 2.562 178 S HA 0.331 nan 4.470 nan 0.000 0.274 178 S C -1.924 172.713 174.600 0.061 0.000 1.160 178 S CA 0.445 58.765 58.200 0.201 0.000 0.933 178 S CB 1.987 65.349 63.200 0.270 0.000 1.100 178 S HN -0.837 7.389 8.310 -0.024 0.071 0.468 179 G N 1.831 110.694 108.800 0.105 0.000 2.866 179 G HA2 0.700 nan 3.960 nan 0.000 0.289 179 G HA3 0.700 nan 3.960 nan 0.000 0.289 179 G C -3.208 171.681 174.900 -0.018 0.000 1.396 179 G CA -0.622 44.528 45.100 0.083 0.000 0.848 179 G HN 0.474 9.192 8.290 0.149 -0.338 0.515 180 S N -2.528 113.151 115.700 -0.036 0.000 2.597 180 S HA 0.414 nan 4.470 nan 0.000 0.274 180 S C -2.759 171.776 174.600 -0.108 0.000 1.132 180 S CA -0.297 57.731 58.200 -0.286 0.000 0.835 180 S CB 1.895 64.939 63.200 -0.261 0.000 1.092 180 S HN 0.243 8.585 8.310 0.052 0.000 0.457 181 A N -0.089 122.634 122.820 -0.161 0.000 2.608 181 A HA 0.851 nan 4.320 nan 0.000 0.292 181 A C -2.451 175.158 177.584 0.042 0.000 1.066 181 A CA -0.264 51.669 52.037 -0.173 0.000 0.676 181 A CB 2.906 21.439 19.000 -0.779 0.000 1.277 181 A HN -0.028 7.956 8.150 -0.276 0.000 0.413 182 c N -3.389 115.310 118.600 0.164 0.000 3.292 182 c HA 0.575 nan 4.570 nan 0.000 0.338 182 c C -2.338 171.730 174.090 -0.038 0.000 1.323 182 c CA -1.318 55.112 56.329 0.168 0.000 1.232 182 c CB 3.302 45.855 42.510 0.072 0.000 1.517 182 c HN 0.531 8.829 8.230 0.113 0.000 0.470 183 H N 2.035 120.863 119.070 -0.404 0.000 2.529 183 H HA 0.456 nan 4.556 nan 0.000 0.348 183 H C -0.817 174.352 175.328 -0.265 0.000 1.079 183 H CA -0.164 55.488 56.048 -0.659 0.000 1.198 183 H CB 3.369 32.400 29.762 -1.218 0.000 1.521 183 H HN 0.482 8.706 8.280 -0.092 0.000 0.514 184 D N 2.956 123.217 120.400 -0.232 0.000 2.328 184 D HA 0.007 nan 4.640 nan 0.000 0.221 184 D C 0.585 177.021 176.300 0.228 0.000 1.072 184 D CA -0.977 53.046 54.000 0.038 0.000 0.850 184 D CB 0.616 41.476 40.800 0.100 0.000 0.922 184 D HN -0.153 7.919 8.370 -0.497 0.000 0.516 185 G N -1.696 107.251 108.800 0.245 0.000 2.195 185 G HA2 -0.368 nan 3.960 nan 0.000 0.224 185 G HA3 -0.368 nan 3.960 nan 0.000 0.224 185 G C 0.081 175.074 174.900 0.156 0.000 0.990 185 G CA 0.889 46.140 45.100 0.252 0.000 0.639 185 G HN -0.102 8.337 8.290 0.373 0.075 0.514 186 R N -2.237 118.254 120.500 -0.014 0.000 2.561 186 R HA 0.241 nan 4.340 nan 0.000 0.213 186 R C -0.748 175.385 176.300 -0.278 0.000 0.885 186 R CA 0.440 56.471 56.100 -0.114 0.000 1.002 186 R CB 3.145 33.329 30.300 -0.193 0.000 1.432 186 R HN 0.022 8.406 8.270 -0.110 -0.180 0.651 187 E N -0.610 119.186 120.200 -0.672 0.000 2.416 187 E HA 0.174 nan 4.350 nan 0.000 0.280 187 E C -2.836 173.114 176.600 -1.083 0.000 1.055 187 E CA -0.852 55.061 56.400 -0.812 0.000 0.825 187 E CB 3.124 32.301 29.700 -0.871 0.000 1.312 187 E HN -0.091 8.153 8.360 -0.688 -0.297 0.452 188 W N -0.329 120.571 121.300 -0.665 0.000 2.315 188 W HA 0.389 nan 4.660 nan 0.000 0.316 188 W C -0.522 175.573 176.519 -0.707 0.000 1.211 188 W CA -0.619 56.370 57.345 -0.593 0.000 1.201 188 W CB 1.725 30.848 29.460 -0.561 0.000 1.184 188 W HN 0.078 8.069 8.180 -0.314 0.000 0.544 189 T N 5.839 120.239 114.554 -0.257 0.000 2.791 189 T HA 0.610 nan 4.350 nan 0.000 0.288 189 T C -1.529 172.991 174.700 -0.300 0.000 0.999 189 T CA -0.325 61.687 62.100 -0.147 0.000 0.952 189 T CB 0.744 69.630 68.868 0.029 0.000 0.938 189 T HN 1.010 9.086 8.240 -0.102 0.104 0.444 190 Y N 6.002 126.330 120.300 0.045 0.000 2.341 190 Y HA 0.665 nan 4.550 nan 0.000 0.337 190 Y C -1.339 174.548 175.900 -0.021 0.000 1.014 190 Y CA -2.067 56.003 58.100 -0.050 0.000 1.111 190 Y CB 1.692 40.097 38.460 -0.092 0.000 1.194 190 Y HN 0.825 9.121 8.280 0.028 0.000 0.462 191 I N 2.792 123.415 120.570 0.088 0.000 2.433 191 I HA 0.659 nan 4.170 nan 0.000 0.292 191 I C -1.193 174.941 176.117 0.028 0.000 1.001 191 I CA -1.648 59.672 61.300 0.035 0.000 1.119 191 I CB 2.003 39.985 38.000 -0.030 0.000 1.289 191 I HN 0.733 8.977 8.210 0.056 0.000 0.438 192 G N 4.333 113.131 108.800 -0.003 0.000 2.753 192 G HA2 0.493 nan 3.960 nan 0.000 0.295 192 G HA3 0.493 nan 3.960 nan 0.000 0.295 192 G C -2.717 172.078 174.900 -0.175 0.000 1.437 192 G CA -0.110 44.954 45.100 -0.061 0.000 1.094 192 G HN 0.204 8.493 8.290 -0.001 0.000 0.540 193 V N 3.772 123.494 119.914 -0.320 0.000 2.483 193 V HA 0.806 nan 4.120 nan 0.000 0.295 193 V C -1.683 173.757 176.094 -1.091 0.000 1.035 193 V CA -2.098 59.866 62.300 -0.560 0.000 0.896 193 V CB 1.109 32.610 31.823 -0.537 0.000 0.986 193 V HN 0.822 8.847 8.190 -0.275 0.000 0.447 194 D N 3.499 123.330 120.400 -0.949 0.000 2.825 194 D HA 0.301 nan 4.640 nan 0.000 0.327 194 D C -1.767 174.359 176.300 -0.289 0.000 1.277 194 D CA -1.924 51.469 54.000 -1.010 0.000 0.950 194 D CB 3.398 43.874 40.800 -0.540 0.000 1.438 194 D HN 0.415 8.434 8.370 -0.584 0.000 0.526 195 G N -4.669 104.186 108.800 0.092 0.000 2.555 195 G HA2 -0.209 nan 3.960 nan 0.000 0.686 195 G HA3 -0.209 nan 3.960 nan 0.000 0.686 195 G C -2.847 172.257 174.900 0.340 0.000 1.275 195 G CA -0.954 44.251 45.100 0.175 0.000 0.871 195 G HN 0.022 8.422 8.290 0.182 0.000 0.603 196 P HA 0.181 nan 4.420 nan 0.000 0.272 196 P C -0.296 177.132 177.300 0.213 0.000 1.223 196 P CA -0.884 62.330 63.100 0.190 0.000 0.784 196 P CB 0.783 32.556 31.700 0.122 0.000 0.923 197 D N 2.531 123.009 120.400 0.130 0.000 2.133 197 D HA -0.313 nan 4.640 nan 0.000 0.195 197 D C 1.595 177.961 176.300 0.110 0.000 0.997 197 D CA 4.093 58.144 54.000 0.085 0.000 0.840 197 D CB -0.430 40.362 40.800 -0.014 0.000 0.947 197 D HN 0.498 8.916 8.370 0.080 0.000 0.452 198 N N -5.320 113.444 118.700 0.106 0.000 2.521 198 N HA -0.158 nan 4.740 nan 0.000 0.188 198 N C -0.857 174.790 175.510 0.227 0.000 1.146 198 N CA 1.214 54.345 53.050 0.135 0.000 0.893 198 N CB 0.049 38.590 38.487 0.090 0.000 0.975 198 N HN -0.119 8.314 8.380 0.089 0.000 0.451 199 D N -1.967 118.551 120.400 0.196 0.000 3.602 199 D HA 0.071 nan 4.640 nan 0.000 0.275 199 D C -1.613 174.788 176.300 0.169 0.000 1.348 199 D CA -0.205 53.922 54.000 0.212 0.000 0.768 199 D CB 0.265 41.188 40.800 0.206 0.000 1.373 199 D HN -0.238 8.039 8.370 0.177 0.199 0.683 200 A N -0.963 121.955 122.820 0.164 0.000 2.346 200 A HA 0.290 nan 4.320 nan 0.000 0.255 200 A C -2.038 175.569 177.584 0.038 0.000 1.113 200 A CA 0.194 52.324 52.037 0.156 0.000 0.798 200 A CB 1.491 20.652 19.000 0.269 0.000 1.073 200 A HN 0.131 8.371 8.150 0.151 0.000 0.502 201 L N -1.873 119.308 121.223 -0.070 0.000 2.470 201 L HA 0.466 nan 4.340 nan 0.000 0.268 201 L C -1.874 174.904 176.870 -0.153 0.000 0.964 201 L CA -0.358 54.413 54.840 -0.113 0.000 0.839 201 L CB 4.098 46.086 42.059 -0.118 0.000 1.276 201 L HN 0.352 8.399 8.230 -0.149 0.093 0.403 202 V N 7.916 127.779 119.914 -0.084 0.000 2.432 202 V HA 0.209 nan 4.120 nan 0.000 0.271 202 V C -1.219 174.842 176.094 -0.054 0.000 1.046 202 V CA -0.182 62.078 62.300 -0.066 0.000 0.945 202 V CB 0.011 31.836 31.823 0.004 0.000 0.992 202 V HN 0.860 9.026 8.190 -0.039 0.000 0.471 203 K N 7.758 128.129 120.400 -0.049 0.000 2.259 203 K HA 0.871 nan 4.320 nan 0.000 0.252 203 K C -1.456 175.182 176.600 0.063 0.000 0.936 203 K CA -1.445 54.849 56.287 0.012 0.000 0.810 203 K CB 3.002 35.514 32.500 0.019 0.000 1.143 203 K HN 0.477 8.682 8.250 -0.074 0.000 0.427 204 I N 2.635 123.266 120.570 0.101 0.000 2.465 204 I HA 0.583 nan 4.170 nan 0.000 0.291 204 I C -2.083 174.126 176.117 0.154 0.000 1.014 204 I CA -1.221 60.143 61.300 0.106 0.000 1.093 204 I CB 2.853 40.886 38.000 0.055 0.000 1.267 204 I HN 0.906 9.181 8.210 0.107 0.000 0.431 205 K N 6.202 126.699 120.400 0.161 0.000 2.324 205 K HA 0.669 nan 4.320 nan 0.000 0.253 205 K C -2.309 174.429 176.600 0.231 0.000 0.932 205 K CA -1.784 54.566 56.287 0.106 0.000 0.799 205 K CB 4.207 36.704 32.500 -0.005 0.000 1.154 205 K HN 0.648 9.006 8.250 0.179 0.000 0.425 206 Y N 7.106 127.425 120.300 0.031 0.000 2.388 206 Y HA 0.252 nan 4.550 nan 0.000 0.328 206 Y C -0.515 175.433 175.900 0.080 0.000 0.963 206 Y CA -1.259 56.861 58.100 0.034 0.000 1.240 206 Y CB 1.517 39.981 38.460 0.008 0.000 1.118 206 Y HN 0.789 9.073 8.280 0.177 0.102 0.484 207 G N 10.399 119.160 108.800 -0.066 0.000 2.565 207 G HA2 -0.590 nan 3.960 nan 0.000 0.295 207 G HA3 -0.590 nan 3.960 nan 0.000 0.295 207 G C -1.138 173.844 174.900 0.138 0.000 1.165 207 G CA 1.481 46.603 45.100 0.038 0.000 0.977 207 G HN 0.508 8.734 8.290 -0.106 0.000 0.546 208 E N 4.852 125.082 120.200 0.050 0.000 2.474 208 E HA 0.040 nan 4.350 nan 0.000 0.195 208 E C -0.909 175.638 176.600 -0.089 0.000 1.039 208 E CA -0.201 56.196 56.400 -0.005 0.000 0.881 208 E CB 0.747 30.464 29.700 0.029 0.000 0.970 208 E HN 0.203 8.587 8.360 0.041 0.000 0.486 209 A N -0.334 122.453 122.820 -0.055 0.000 2.317 209 A HA 0.354 nan 4.320 nan 0.000 0.327 209 A C -1.564 175.936 177.584 -0.140 0.000 1.178 209 A CA -1.039 50.970 52.037 -0.048 0.000 0.817 209 A CB 1.776 20.823 19.000 0.077 0.000 1.189 209 A HN -0.677 7.427 8.150 0.015 0.055 0.489 210 Y N 3.229 123.598 120.300 0.115 0.000 2.436 210 Y HA -0.022 nan 4.550 nan 0.000 0.343 210 Y C 0.239 176.190 175.900 0.086 0.000 1.008 210 Y CA 0.830 58.989 58.100 0.098 0.000 1.241 210 Y CB -0.198 38.303 38.460 0.069 0.000 1.153 210 Y HN 0.515 8.889 8.280 0.158 0.000 0.521 211 T N 1.309 115.965 114.554 0.170 0.000 3.056 211 T HA 0.125 nan 4.350 nan 0.000 0.241 211 T C -0.875 173.875 174.700 0.083 0.000 1.006 211 T CA -0.210 61.955 62.100 0.109 0.000 1.115 211 T CB 1.613 70.522 68.868 0.068 0.000 0.939 211 T HN 0.593 8.932 8.240 0.164 0.000 0.462 212 D N -0.191 120.260 120.400 0.084 0.000 2.615 212 D HA 0.346 nan 4.640 nan 0.000 0.267 212 D C -2.356 173.975 176.300 0.051 0.000 1.236 212 D CA -0.756 53.279 54.000 0.058 0.000 0.839 212 D CB 3.698 44.518 40.800 0.033 0.000 1.380 212 D HN -0.705 7.729 8.370 0.106 0.000 0.433 213 T N -4.828 109.743 114.554 0.027 0.000 2.864 213 T HA 0.667 nan 4.350 nan 0.000 0.299 213 T C -2.081 172.617 174.700 -0.003 0.000 1.166 213 T CA -1.744 60.340 62.100 -0.027 0.000 1.007 213 T CB 2.856 71.651 68.868 -0.121 0.000 1.219 213 T HN -0.054 8.208 8.240 0.037 0.000 0.506 214 Y N 1.354 121.523 120.300 -0.219 0.000 2.433 214 Y HA 0.354 nan 4.550 nan 0.000 0.337 214 Y C -1.948 173.817 175.900 -0.225 0.000 1.026 214 Y CA -0.348 57.656 58.100 -0.160 0.000 1.037 214 Y CB 4.370 42.800 38.460 -0.049 0.000 1.245 214 Y HN 0.832 8.985 8.280 -0.043 0.102 0.443 215 H N 5.611 124.519 119.070 -0.271 0.000 2.505 215 H HA 0.342 nan 4.556 nan 0.000 0.355 215 H C -0.912 174.334 175.328 -0.136 0.000 1.179 215 H CA -0.680 55.266 56.048 -0.169 0.000 1.343 215 H CB 1.691 31.354 29.762 -0.166 0.000 1.501 215 H HN 0.100 8.072 8.280 -0.514 0.000 0.569 216 S N -0.173 115.537 115.700 0.017 0.000 2.549 216 S HA -0.119 nan 4.470 nan 0.000 0.283 216 S C -0.277 174.143 174.600 -0.300 0.000 1.320 216 S CA 0.496 58.593 58.200 -0.172 0.000 1.058 216 S CB 0.831 63.904 63.200 -0.210 0.000 0.882 216 S HN 0.156 8.517 8.310 0.084 0.000 0.498 217 Y N -0.790 119.370 120.300 -0.233 0.000 2.430 217 Y HA 0.258 nan 4.550 nan 0.000 0.248 217 Y C -0.999 174.799 175.900 -0.170 0.000 1.108 217 Y CA -0.811 57.168 58.100 -0.201 0.000 1.264 217 Y CB 0.550 38.982 38.460 -0.047 0.000 1.172 217 Y HN -0.118 7.959 8.280 -0.720 -0.229 0.520 218 A N -2.879 119.716 122.820 -0.375 0.000 2.469 218 A HA 0.114 nan 4.320 nan 0.000 0.245 218 A C -0.382 177.161 177.584 -0.069 0.000 1.221 218 A CA -0.518 51.439 52.037 -0.135 0.000 0.946 218 A CB 1.405 20.308 19.000 -0.160 0.000 1.049 218 A HN -0.338 7.744 8.150 -0.680 -0.341 0.529 219 H N -4.441 114.587 119.070 -0.070 0.000 2.822 219 H HA -0.408 nan 4.556 nan 0.000 0.295 219 H C -1.364 173.951 175.328 -0.023 0.000 1.151 219 H CA 1.254 57.287 56.048 -0.026 0.000 1.151 219 H CB -2.203 27.558 29.762 -0.001 0.000 1.343 219 H HN -0.305 7.637 8.280 -0.627 -0.038 0.382 220 N N -0.967 117.728 118.700 -0.009 0.000 2.716 220 N HA 0.148 nan 4.740 nan 0.000 0.253 220 N C -1.459 174.038 175.510 -0.021 0.000 1.170 220 N CA -0.621 52.429 53.050 -0.001 0.000 0.807 220 N CB 1.128 39.611 38.487 -0.006 0.000 1.183 220 N HN -0.510 8.071 8.380 -0.105 -0.264 0.524 221 I N 1.101 121.685 120.570 0.024 0.000 7.474 221 I HA -0.586 nan 4.170 nan 0.000 0.126 221 I C -1.430 174.748 176.117 0.101 0.000 1.805 221 I CA 0.883 62.227 61.300 0.073 0.000 2.128 221 I CB -2.128 35.867 38.000 -0.008 0.000 3.592 221 I HN 0.792 8.932 8.210 0.045 0.097 0.196 222 L N 4.660 125.942 121.223 0.098 0.000 2.485 222 L HA -0.011 nan 4.340 nan 0.000 0.275 222 L C -1.608 175.359 176.870 0.162 0.000 1.207 222 L CA 1.291 56.145 54.840 0.024 0.000 0.855 222 L CB 0.466 42.517 42.059 -0.013 0.000 1.114 222 L HN 0.096 8.391 8.230 0.108 0.000 0.485 223 R N 1.518 122.073 120.500 0.092 0.000 2.747 223 R HA 0.484 nan 4.340 nan 0.000 0.272 223 R C -2.318 174.005 176.300 0.038 0.000 1.032 223 R CA -1.390 54.792 56.100 0.137 0.000 0.896 223 R CB 2.726 33.164 30.300 0.230 0.000 1.253 223 R HN 0.379 8.662 8.270 0.021 0.000 0.461 224 T N -2.307 112.268 114.554 0.034 0.000 2.572 224 T HA 0.563 nan 4.350 nan 0.000 0.244 224 T C -0.261 174.426 174.700 -0.021 0.000 0.860 224 T CA -1.436 60.646 62.100 -0.029 0.000 1.125 224 T CB 1.687 70.515 68.868 -0.067 0.000 1.491 224 T HN 0.005 8.294 8.240 0.082 0.000 0.532 225 Q N 0.473 120.229 119.800 -0.074 0.000 2.079 225 Q HA -0.162 nan 4.340 nan 0.000 0.200 225 Q C 0.921 176.887 176.000 -0.057 0.000 0.974 225 Q CA 3.110 58.866 55.803 -0.079 0.000 0.840 225 Q CB 0.788 29.447 28.738 -0.131 0.000 0.898 225 Q HN 0.414 8.621 8.270 -0.105 0.000 0.430 226 E N -5.426 114.700 120.200 -0.123 0.000 2.957 226 E HA -0.317 nan 4.350 nan 0.000 0.287 226 E C -1.457 174.961 176.600 -0.302 0.000 0.976 226 E CA 1.070 57.439 56.400 -0.052 0.000 0.907 226 E CB -2.016 27.831 29.700 0.244 0.000 1.456 226 E HN -0.045 8.214 8.360 -0.169 0.000 0.421 227 S N -5.057 110.190 115.700 -0.755 0.000 2.636 227 S HA 0.192 nan 4.470 nan 0.000 0.268 227 S C -1.599 172.503 174.600 -0.831 0.000 1.159 227 S CA -1.473 56.265 58.200 -0.770 0.000 0.815 227 S CB 2.531 65.674 63.200 -0.095 0.000 1.130 227 S HN -0.836 7.027 8.310 -0.693 0.031 0.471 228 A N -0.762 121.850 122.820 -0.348 0.000 2.483 228 A HA 0.022 nan 4.320 nan 0.000 0.238 228 A C -0.372 177.169 177.584 -0.071 0.000 1.070 228 A CA 0.292 52.262 52.037 -0.112 0.000 0.770 228 A CB 0.421 19.518 19.000 0.162 0.000 1.008 228 A HN 0.333 8.421 8.150 -0.104 0.000 0.497 229 c N -1.406 117.173 118.600 -0.036 0.000 2.347 229 c HA 0.486 nan 4.570 nan 0.000 0.366 229 c C -0.257 173.867 174.090 0.056 0.000 1.241 229 c CA -2.883 53.445 56.329 -0.002 0.000 2.360 229 c CB 0.662 43.162 42.510 -0.016 0.000 2.290 229 c HN -0.173 7.934 8.230 -0.024 0.109 0.587 230 N N -0.067 118.674 118.700 0.068 0.000 2.399 230 N HA 0.357 nan 4.740 nan 0.000 0.280 230 N C -1.396 174.272 175.510 0.264 0.000 1.008 230 N CA -0.320 52.800 53.050 0.117 0.000 0.894 230 N CB 2.866 41.241 38.487 -0.188 0.000 1.273 230 N HN -0.058 8.367 8.380 0.075 0.000 0.486 231 c N 3.399 122.180 118.600 0.301 0.000 2.391 231 c HA 0.817 nan 4.570 nan 0.000 0.339 231 c C -1.418 172.741 174.090 0.115 0.000 1.205 231 c CA -2.026 54.408 56.329 0.176 0.000 1.937 231 c CB 1.327 43.840 42.510 0.005 0.000 2.341 231 c HN 0.866 9.267 8.230 0.286 0.000 0.516 232 I N 1.810 122.341 120.570 -0.065 0.000 2.571 232 I HA 0.245 nan 4.170 nan 0.000 0.286 232 I C -0.139 175.638 176.117 -0.567 0.000 1.134 232 I CA -0.616 60.445 61.300 -0.397 0.000 1.052 232 I CB 3.498 41.333 38.000 -0.275 0.000 1.237 232 I HN 0.687 8.758 8.210 -0.051 0.108 0.435 233 G N 9.108 117.321 108.800 -0.978 0.000 2.203 233 G HA2 -0.436 nan 3.960 nan 0.000 0.263 233 G HA3 -0.436 nan 3.960 nan 0.000 0.263 233 G C -0.226 173.942 174.900 -1.221 0.000 1.012 233 G CA 1.174 45.771 45.100 -0.839 0.000 0.749 233 G HN 0.984 8.497 8.290 -1.296 0.000 0.512 234 G N -3.318 104.745 108.800 -1.228 0.000 2.175 234 G HA2 -0.519 nan 3.960 nan 0.000 0.244 234 G HA3 -0.519 nan 3.960 nan 0.000 0.244 234 G C -1.796 172.596 174.900 -0.847 0.000 0.982 234 G CA -0.270 43.808 45.100 -1.704 0.000 0.641 234 G HN 0.276 8.069 8.290 -0.765 0.038 0.527 235 D N 0.622 120.688 120.400 -0.557 0.000 2.303 235 D HA 0.531 nan 4.640 nan 0.000 0.236 235 D C -1.428 174.681 176.300 -0.318 0.000 1.068 235 D CA -0.971 52.779 54.000 -0.416 0.000 0.830 235 D CB 1.609 42.217 40.800 -0.320 0.000 1.109 235 D HN -0.645 7.220 8.370 -0.538 0.182 0.496 236 c N 3.567 121.950 118.600 -0.362 0.000 2.322 236 c HA 0.714 nan 4.570 nan 0.000 0.324 236 c C -0.972 172.935 174.090 -0.305 0.000 1.284 236 c CA -1.159 55.053 56.329 -0.195 0.000 1.606 236 c CB 1.370 43.807 42.510 -0.123 0.000 2.251 236 c HN 0.963 8.951 8.230 -0.403 0.000 0.502 237 Y N 2.878 123.164 120.300 -0.023 0.000 2.330 237 Y HA 0.607 nan 4.550 nan 0.000 0.336 237 Y C -1.831 174.100 175.900 0.051 0.000 1.036 237 Y CA -1.165 56.941 58.100 0.010 0.000 1.125 237 Y CB 1.650 40.092 38.460 -0.031 0.000 1.194 237 Y HN 1.092 9.407 8.280 0.254 0.117 0.469 238 L N 2.663 124.003 121.223 0.195 0.000 2.408 238 L HA 0.759 nan 4.340 nan 0.000 0.268 238 L C -2.448 174.395 176.870 -0.046 0.000 0.986 238 L CA -1.321 53.559 54.840 0.068 0.000 0.820 238 L CB 4.742 46.769 42.059 -0.053 0.000 1.303 238 L HN 0.301 8.641 8.230 0.185 0.000 0.411 239 M N 5.706 125.157 119.600 -0.248 0.000 2.188 239 M HA 0.672 nan 4.480 nan 0.000 0.357 239 M C -1.918 174.153 176.300 -0.380 0.000 1.204 239 M CA -0.523 54.346 55.300 -0.718 0.000 1.095 239 M CB 1.605 33.764 32.600 -0.735 0.000 1.604 239 M HN 0.543 9.166 8.290 -0.113 -0.401 0.464 240 I N -2.934 117.425 120.570 -0.352 0.000 2.892 240 I HA 0.893 nan 4.170 nan 0.000 0.306 240 I C -2.233 173.836 176.117 -0.080 0.000 1.078 240 I CA -2.220 58.985 61.300 -0.159 0.000 1.032 240 I CB 3.621 41.556 38.000 -0.110 0.000 1.229 240 I HN 0.270 8.199 8.210 -0.468 0.000 0.435 241 T N 1.814 116.358 114.554 -0.017 0.000 2.843 241 T HA 0.553 nan 4.350 nan 0.000 0.302 241 T C -2.945 171.692 174.700 -0.105 0.000 1.232 241 T CA -0.971 61.132 62.100 0.004 0.000 1.009 241 T CB 2.777 71.617 68.868 -0.045 0.000 1.254 241 T HN 0.693 8.919 8.240 -0.024 0.000 0.504 242 D N 1.943 122.217 120.400 -0.210 0.000 2.803 242 D HA 0.718 nan 4.640 nan 0.000 0.218 242 D C -2.303 173.853 176.300 -0.239 0.000 1.245 242 D CA -0.628 53.147 54.000 -0.376 0.000 0.821 242 D CB 3.742 43.916 40.800 -1.044 0.000 1.626 242 D HN -0.191 8.121 8.370 -0.097 0.000 0.487 243 G N 1.528 110.228 108.800 -0.166 0.000 2.369 243 G HA2 -0.136 nan 3.960 nan 0.000 0.307 243 G HA3 -0.136 nan 3.960 nan 0.000 0.307 243 G C -2.197 172.662 174.900 -0.068 0.000 1.327 243 G CA -0.094 44.943 45.100 -0.106 0.000 0.963 243 G HN 0.288 8.491 8.290 -0.145 0.000 0.590 244 S N 0.015 115.699 115.700 -0.028 0.000 2.528 244 S HA 0.196 nan 4.470 nan 0.000 0.277 244 S C 1.609 176.252 174.600 0.071 0.000 1.297 244 S CA -1.458 56.750 58.200 0.013 0.000 1.052 244 S CB 0.928 64.145 63.200 0.027 0.000 0.917 244 S HN -0.187 8.111 8.310 -0.019 0.000 0.492 245 A N 8.082 130.950 122.820 0.079 0.000 1.978 245 A HA -0.106 nan 4.320 nan 0.000 0.220 245 A C 0.734 178.371 177.584 0.088 0.000 1.170 245 A CA 2.725 54.843 52.037 0.136 0.000 0.636 245 A CB -0.242 18.790 19.000 0.053 0.000 0.810 245 A HN 0.646 8.819 8.150 0.038 0.000 0.448 246 S N -4.761 110.948 115.700 0.015 0.000 2.574 246 S HA 0.147 nan 4.470 nan 0.000 0.242 246 S C -0.710 173.835 174.600 -0.092 0.000 0.982 246 S CA -0.088 58.064 58.200 -0.079 0.000 0.977 246 S CB 0.550 63.717 63.200 -0.055 0.000 0.814 246 S HN -0.621 7.673 8.310 0.026 0.031 0.464 247 G N 0.169 108.968 108.800 -0.001 0.000 3.000 247 G HA2 0.148 nan 3.960 nan 0.000 0.170 247 G HA3 0.148 nan 3.960 nan 0.000 0.170 247 G C -2.480 172.547 174.900 0.211 0.000 1.160 247 G CA -0.494 44.650 45.100 0.073 0.000 0.945 247 G HN -0.194 7.974 8.290 0.096 0.180 0.593 248 I N 1.530 122.222 120.570 0.205 0.000 2.441 248 I HA 0.250 nan 4.170 nan 0.000 0.287 248 I C -1.112 174.987 176.117 -0.031 0.000 1.049 248 I CA -1.697 59.704 61.300 0.167 0.000 1.381 248 I CB -0.387 37.699 38.000 0.142 0.000 1.409 248 I HN 0.010 8.321 8.210 0.168 0.000 0.523 249 S N 6.631 122.215 115.700 -0.193 0.000 2.383 249 S HA 0.241 nan 4.470 nan 0.000 0.196 249 S C -1.603 172.918 174.600 -0.132 0.000 1.364 249 S CA -0.597 57.431 58.200 -0.286 0.000 1.212 249 S CB 0.971 63.760 63.200 -0.685 0.000 1.171 249 S HN 0.836 8.960 8.310 -0.133 0.106 0.456 250 K N 4.982 125.399 120.400 0.029 0.000 2.297 250 K HA 0.361 nan 4.320 nan 0.000 0.286 250 K C -0.718 175.968 176.600 0.143 0.000 1.053 250 K CA -0.652 55.688 56.287 0.089 0.000 0.940 250 K CB 1.086 33.656 32.500 0.117 0.000 1.019 250 K HN 0.043 8.331 8.250 0.063 0.000 0.475 251 C N 1.088 120.434 119.300 0.077 0.000 2.422 251 C HA 0.586 nan 4.460 nan 0.000 0.364 251 C C -0.430 174.567 174.990 0.011 0.000 1.251 251 C CA -2.719 56.323 59.018 0.040 0.000 2.441 251 C CB 1.467 29.166 27.740 -0.069 0.000 2.393 251 C HN 0.504 8.771 8.230 0.061 0.000 0.606 252 R N -1.996 118.454 120.500 -0.083 0.000 2.836 252 R HA 0.644 nan 4.340 nan 0.000 0.269 252 R C -1.974 174.198 176.300 -0.213 0.000 1.010 252 R CA -1.578 54.474 56.100 -0.080 0.000 0.930 252 R CB 4.581 34.789 30.300 -0.153 0.000 1.218 252 R HN 0.294 8.492 8.270 -0.119 0.000 0.473 253 F N -1.148 118.774 119.950 -0.047 0.000 2.508 253 F HA 0.739 nan 4.527 nan 0.000 0.325 253 F C -1.357 174.396 175.800 -0.079 0.000 1.090 253 F CA -1.199 56.782 58.000 -0.033 0.000 0.945 253 F CB 3.583 42.604 39.000 0.036 0.000 1.156 253 F HN 0.627 8.950 8.300 0.221 0.109 0.463 254 L N 1.144 122.385 121.223 0.030 0.000 2.296 254 L HA 0.536 nan 4.340 nan 0.000 0.286 254 L C -1.501 175.310 176.870 -0.098 0.000 1.023 254 L CA -1.211 53.571 54.840 -0.097 0.000 0.812 254 L CB 1.554 43.470 42.059 -0.239 0.000 1.223 254 L HN 0.944 9.194 8.230 0.033 0.000 0.421 255 K N 5.447 125.750 120.400 -0.161 0.000 2.264 255 K HA 0.447 nan 4.320 nan 0.000 0.277 255 K C -1.652 174.767 176.600 -0.302 0.000 1.067 255 K CA -0.571 55.485 56.287 -0.386 0.000 0.900 255 K CB 1.074 33.382 32.500 -0.320 0.000 1.124 255 K HN 0.459 8.647 8.250 -0.104 0.000 0.469 256 I N 6.678 127.045 120.570 -0.339 0.000 2.530 256 I HA 0.670 nan 4.170 nan 0.000 0.297 256 I C -2.215 173.730 176.117 -0.287 0.000 1.011 256 I CA -1.371 59.779 61.300 -0.249 0.000 1.107 256 I CB 3.179 41.066 38.000 -0.189 0.000 1.285 256 I HN 0.676 8.624 8.210 -0.436 0.000 0.436 257 R N 4.116 124.457 120.500 -0.265 0.000 2.514 257 R HA 0.310 nan 4.340 nan 0.000 0.296 257 R C -0.490 175.603 176.300 -0.345 0.000 1.012 257 R CA -0.559 55.356 56.100 -0.307 0.000 0.897 257 R CB 2.616 32.750 30.300 -0.277 0.000 1.184 257 R HN 0.708 8.844 8.270 -0.224 0.000 0.440 258 E N 5.637 125.534 120.200 -0.504 0.000 2.476 258 E HA -0.398 nan 4.350 nan 0.000 0.251 258 E C -1.042 175.015 176.600 -0.906 0.000 1.130 258 E CA 0.901 56.713 56.400 -0.980 0.000 0.736 258 E CB -1.693 27.698 29.700 -0.515 0.000 1.298 258 E HN 1.081 9.186 8.360 -0.425 0.000 0.400 259 G N -7.375 101.080 108.800 -0.575 0.000 2.176 259 G HA2 -0.465 nan 3.960 nan 0.000 0.253 259 G HA3 -0.465 nan 3.960 nan 0.000 0.253 259 G C -1.121 173.706 174.900 -0.122 0.000 0.979 259 G CA 0.114 45.084 45.100 -0.217 0.000 0.641 259 G HN 0.479 8.465 8.290 -0.474 0.020 0.530 260 R N -0.923 119.483 120.500 -0.157 0.000 2.599 260 R HA 0.402 nan 4.340 nan 0.000 0.295 260 R C -0.935 175.308 176.300 -0.096 0.000 0.963 260 R CA -2.224 53.821 56.100 -0.091 0.000 0.883 260 R CB 2.586 32.842 30.300 -0.074 0.000 1.171 260 R HN -0.540 7.420 8.270 -0.227 0.173 0.450 261 I N 5.659 126.196 120.570 -0.055 0.000 2.578 261 I HA -0.237 nan 4.170 nan 0.000 0.286 261 I C 0.524 176.611 176.117 -0.050 0.000 1.126 261 I CA 2.203 63.469 61.300 -0.056 0.000 1.380 261 I CB -0.458 37.544 38.000 0.003 0.000 1.408 261 I HN 0.332 8.854 8.210 -0.025 -0.327 0.532 262 I N 2.856 123.375 120.570 -0.084 0.000 3.941 262 I HA 0.252 nan 4.170 nan 0.000 0.321 262 I C -0.852 175.237 176.117 -0.046 0.000 1.284 262 I CA -0.178 61.081 61.300 -0.068 0.000 1.226 262 I CB 0.836 38.778 38.000 -0.097 0.000 1.045 262 I HN 0.718 8.752 8.210 -0.123 0.103 0.420 263 K N -0.723 119.649 120.400 -0.048 0.000 2.587 263 K HA 0.130 nan 4.320 nan 0.000 0.276 263 K C -2.845 173.751 176.600 -0.007 0.000 0.956 263 K CA -0.499 55.779 56.287 -0.015 0.000 0.857 263 K CB 3.751 36.244 32.500 -0.012 0.000 1.431 263 K HN -0.628 7.579 8.250 -0.072 0.000 0.420 264 E N 3.439 123.653 120.200 0.024 0.000 2.210 264 E HA 0.711 nan 4.350 nan 0.000 0.266 264 E C -1.280 175.346 176.600 0.043 0.000 0.883 264 E CA -1.493 54.923 56.400 0.027 0.000 0.761 264 E CB 2.674 32.420 29.700 0.077 0.000 1.156 264 E HN 0.225 8.603 8.360 0.031 0.000 0.412 265 I N 7.562 128.171 120.570 0.065 0.000 2.418 265 I HA 0.216 nan 4.170 nan 0.000 0.287 265 I C -1.725 174.449 176.117 0.096 0.000 1.008 265 I CA -0.988 60.370 61.300 0.096 0.000 1.104 265 I CB 2.796 40.886 38.000 0.150 0.000 1.264 265 I HN 1.013 9.257 8.210 0.056 0.000 0.438 266 L N 8.424 129.683 121.223 0.059 0.000 2.262 266 L HA 0.418 nan 4.340 nan 0.000 0.288 266 L C -1.786 175.126 176.870 0.070 0.000 1.035 266 L CA -3.747 51.119 54.840 0.044 0.000 0.820 266 L CB -0.987 41.075 42.059 0.006 0.000 1.204 266 L HN 0.457 8.717 8.230 0.049 0.000 0.424 267 P HA 0.281 nan 4.420 nan 0.000 0.272 267 P C -1.370 175.971 177.300 0.068 0.000 1.240 267 P CA -0.603 62.563 63.100 0.110 0.000 0.791 267 P CB 0.831 32.639 31.700 0.180 0.000 0.978 268 T N 1.431 116.019 114.554 0.057 0.000 2.940 268 T HA 0.306 nan 4.350 nan 0.000 0.288 268 T C -0.513 174.185 174.700 -0.003 0.000 1.045 268 T CA -1.155 60.960 62.100 0.025 0.000 1.018 268 T CB 2.709 71.590 68.868 0.023 0.000 1.151 268 T HN 0.436 8.600 8.240 0.071 0.118 0.529 269 G N 1.368 110.143 108.800 -0.042 0.000 2.464 269 G HA2 -0.297 nan 3.960 nan 0.000 0.216 269 G HA3 -0.297 nan 3.960 nan 0.000 0.216 269 G C -1.859 172.990 174.900 -0.086 0.000 1.186 269 G CA -0.314 44.722 45.100 -0.108 0.000 1.010 269 G HN -0.105 8.166 8.290 -0.031 0.000 0.585 270 R N 4.325 124.756 120.500 -0.115 0.000 2.248 270 R HA 0.163 nan 4.340 nan 0.000 0.337 270 R C 0.338 176.633 176.300 -0.008 0.000 1.106 270 R CA -0.060 55.997 56.100 -0.070 0.000 0.959 270 R CB -0.232 30.011 30.300 -0.094 0.000 1.075 270 R HN 0.322 8.379 8.270 -0.183 0.104 0.480 271 V N 2.097 122.020 119.914 0.016 0.000 3.605 271 V HA 0.348 nan 4.120 nan 0.000 0.284 271 V C 0.841 176.987 176.094 0.087 0.000 1.386 271 V CA 0.246 62.578 62.300 0.054 0.000 1.053 271 V CB 0.167 32.018 31.823 0.047 0.000 0.857 271 V HN 0.214 8.404 8.190 -0.001 0.000 0.436 272 E N -0.059 120.199 120.200 0.096 0.000 2.147 272 E HA -0.307 nan 4.350 nan 0.000 0.199 272 E C -0.546 176.233 176.600 0.300 0.000 1.005 272 E CA 2.629 59.134 56.400 0.175 0.000 0.810 272 E CB -0.395 29.374 29.700 0.115 0.000 0.736 272 E HN 0.481 8.874 8.360 0.054 0.000 0.460 273 H N -2.451 116.733 119.070 0.190 0.000 3.287 273 H HA 0.336 nan 4.556 nan 0.000 0.329 273 H C -2.076 173.305 175.328 0.089 0.000 1.130 273 H CA -1.059 55.072 56.048 0.139 0.000 1.593 273 H CB 1.803 31.635 29.762 0.117 0.000 1.916 273 H HN -0.693 7.737 8.280 0.278 0.017 0.503 274 T N 10.119 124.756 114.554 0.138 0.000 2.881 274 T HA 0.451 nan 4.350 nan 0.000 0.291 274 T C -2.176 172.565 174.700 0.068 0.000 0.990 274 T CA -0.423 61.757 62.100 0.133 0.000 0.976 274 T CB 1.218 70.144 68.868 0.097 0.000 0.970 274 T HN 0.227 8.454 8.240 -0.022 0.000 0.438 275 E N 2.076 122.337 120.200 0.102 0.000 2.430 275 E HA 0.348 nan 4.350 nan 0.000 0.279 275 E C -1.206 175.418 176.600 0.039 0.000 1.003 275 E CA -1.578 54.855 56.400 0.054 0.000 0.801 275 E CB 3.302 33.060 29.700 0.097 0.000 1.313 275 E HN 0.707 9.147 8.360 0.133 0.000 0.459 276 E N -3.264 116.949 120.200 0.022 0.000 2.269 276 E HA -0.427 nan 4.350 nan 0.000 0.223 276 E C -0.721 175.883 176.600 0.008 0.000 1.244 276 E CA 0.952 57.359 56.400 0.011 0.000 0.713 276 E CB -1.597 28.096 29.700 -0.013 0.000 1.178 276 E HN 0.481 8.853 8.360 0.020 0.000 0.370 277 c N -1.898 116.708 118.600 0.010 0.000 2.662 277 c HA -0.030 nan 4.570 nan 0.000 0.420 277 c C 0.377 174.513 174.090 0.075 0.000 1.314 277 c CA 0.948 57.305 56.329 0.046 0.000 1.963 277 c CB 0.233 42.787 42.510 0.074 0.000 2.686 277 c HN -0.572 7.647 8.230 -0.017 0.000 0.609 278 T N 6.094 120.727 114.554 0.130 0.000 2.821 278 T HA 0.293 nan 4.350 nan 0.000 0.307 278 T C -1.216 173.648 174.700 0.273 0.000 1.034 278 T CA -0.171 62.053 62.100 0.206 0.000 0.953 278 T CB 0.133 69.170 68.868 0.281 0.000 0.968 278 T HN 0.480 8.789 8.240 0.116 0.000 0.462 279 c N 6.068 124.782 118.600 0.190 0.000 2.358 279 c HA 0.897 nan 4.570 nan 0.000 0.354 279 c C -0.531 173.610 174.090 0.085 0.000 1.183 279 c CA -1.973 54.447 56.329 0.152 0.000 2.150 279 c CB 2.535 45.094 42.510 0.082 0.000 2.361 279 c HN 0.701 9.016 8.230 0.141 0.000 0.535 280 G N -1.233 107.582 108.800 0.025 0.000 2.576 280 G HA2 0.429 nan 3.960 nan 0.000 0.290 280 G HA3 0.429 nan 3.960 nan 0.000 0.290 280 G C -2.939 171.775 174.900 -0.311 0.000 1.442 280 G CA -0.263 44.810 45.100 -0.044 0.000 0.792 280 G HN 0.365 8.685 8.290 0.050 0.000 0.491 281 F N -0.433 119.414 119.950 -0.172 0.000 2.411 281 F HA 0.300 nan 4.527 nan 0.000 0.355 281 F C -0.258 175.169 175.800 -0.622 0.000 1.117 281 F CA -0.576 57.251 58.000 -0.288 0.000 1.139 281 F CB 0.843 39.762 39.000 -0.136 0.000 1.120 281 F HN 0.305 8.651 8.300 0.076 0.000 0.493 282 A N 6.244 128.785 122.820 -0.465 0.000 2.095 282 A HA 0.177 nan 4.320 nan 0.000 0.212 282 A C -0.996 176.527 177.584 -0.101 0.000 1.162 282 A CA 0.993 52.751 52.037 -0.466 0.000 0.753 282 A CB 0.769 19.636 19.000 -0.223 0.000 0.840 282 A HN 0.655 8.642 8.150 -0.273 0.000 0.468 283 S N -3.404 112.295 115.700 -0.002 0.000 2.671 283 S HA 0.001 nan 4.470 nan 0.000 0.270 283 S C -1.165 173.472 174.600 0.062 0.000 1.166 283 S CA -0.558 57.657 58.200 0.025 0.000 0.868 283 S CB 0.191 63.398 63.200 0.010 0.000 1.190 283 S HN -0.662 7.639 8.310 0.052 0.040 0.494 284 N N -0.221 118.483 118.700 0.006 0.000 2.521 284 N HA -0.074 nan 4.740 nan 0.000 0.188 284 N C -0.114 175.420 175.510 0.039 0.000 1.146 284 N CA 1.397 54.441 53.050 -0.011 0.000 0.893 284 N CB -0.074 38.409 38.487 -0.007 0.000 0.975 284 N HN 0.296 8.674 8.380 -0.003 0.000 0.451 285 K N -4.978 115.447 120.400 0.041 0.000 2.440 285 K HA 0.249 nan 4.320 nan 0.000 0.207 285 K C -0.800 175.793 176.600 -0.011 0.000 1.112 285 K CA 0.248 56.545 56.287 0.017 0.000 1.036 285 K CB 2.131 34.633 32.500 0.003 0.000 0.935 285 K HN -0.295 7.902 8.250 0.036 0.074 0.564 286 T N 2.437 116.994 114.554 0.006 0.000 2.921 286 T HA 0.503 nan 4.350 nan 0.000 0.297 286 T C -2.203 172.431 174.700 -0.110 0.000 1.013 286 T CA 0.235 62.295 62.100 -0.067 0.000 0.990 286 T CB 2.719 71.551 68.868 -0.061 0.000 1.023 286 T HN -0.594 7.679 8.240 0.055 0.000 0.447 287 I N 5.315 125.729 120.570 -0.261 0.000 2.378 287 I HA 0.567 nan 4.170 nan 0.000 0.291 287 I C -1.933 174.036 176.117 -0.246 0.000 0.992 287 I CA -0.952 60.105 61.300 -0.407 0.000 1.154 287 I CB 2.184 39.806 38.000 -0.630 0.000 1.315 287 I HN 0.901 8.944 8.210 -0.278 0.000 0.448 288 E N 6.227 126.375 120.200 -0.087 0.000 2.212 288 E HA 0.657 nan 4.350 nan 0.000 0.268 288 E C -1.547 175.106 176.600 0.087 0.000 0.902 288 E CA -1.909 54.497 56.400 0.010 0.000 0.779 288 E CB 3.580 33.476 29.700 0.327 0.000 1.172 288 E HN 0.570 8.873 8.360 -0.094 0.000 0.409 289 c N 0.947 119.381 118.600 -0.277 0.000 2.626 289 c HA 0.830 nan 4.570 nan 0.000 0.310 289 c C -1.431 172.327 174.090 -0.554 0.000 1.191 289 c CA -1.948 54.291 56.329 -0.149 0.000 1.517 289 c CB 3.340 45.875 42.510 0.042 0.000 2.102 289 c HN 0.338 8.247 8.230 -0.535 0.000 0.479 290 A N 2.421 125.013 122.820 -0.378 0.000 2.271 290 A HA 0.826 nan 4.320 nan 0.000 0.317 290 A C -1.627 175.922 177.584 -0.059 0.000 1.245 290 A CA -1.789 50.059 52.037 -0.316 0.000 0.857 290 A CB 1.204 20.021 19.000 -0.304 0.000 1.175 290 A HN 0.650 8.772 8.150 -0.046 0.000 0.512 291 c N 2.827 121.420 118.600 -0.012 0.000 2.857 291 c HA 0.911 nan 4.570 nan 0.000 0.397 291 c C -1.019 173.085 174.090 0.025 0.000 1.558 291 c CA -2.219 54.126 56.329 0.026 0.000 1.694 291 c CB 4.413 46.956 42.510 0.055 0.000 2.120 291 c HN 0.875 9.104 8.230 -0.002 0.000 0.475 292 R N 0.271 120.791 120.500 0.033 0.000 2.599 292 R HA 0.364 nan 4.340 nan 0.000 0.295 292 R C -2.713 173.627 176.300 0.067 0.000 0.963 292 R CA -1.080 55.030 56.100 0.018 0.000 0.883 292 R CB 3.257 33.547 30.300 -0.016 0.000 1.171 292 R HN 0.732 9.030 8.270 0.046 0.000 0.450 293 D N 5.091 125.494 120.400 0.005 0.000 2.440 293 D HA 0.180 nan 4.640 nan 0.000 0.239 293 D C -0.860 175.268 176.300 -0.287 0.000 1.084 293 D CA -1.487 52.477 54.000 -0.060 0.000 0.843 293 D CB 1.466 42.271 40.800 0.008 0.000 1.097 293 D HN 0.294 8.652 8.370 -0.022 0.000 0.531 294 N N 4.897 123.215 118.700 -0.637 0.000 2.467 294 N HA -0.029 nan 4.740 nan 0.000 0.184 294 N C 0.530 175.730 175.510 -0.518 0.000 1.106 294 N CA 1.381 54.142 53.050 -0.483 0.000 0.892 294 N CB 1.230 39.537 38.487 -0.299 0.000 0.969 294 N HN -0.207 7.553 8.380 -1.032 0.000 0.454 295 S N -2.019 113.232 115.700 -0.748 0.000 2.651 295 S HA 0.199 nan 4.470 nan 0.000 0.259 295 S C 0.314 174.608 174.600 -0.511 0.000 1.073 295 S CA 0.991 58.805 58.200 -0.644 0.000 1.090 295 S CB 1.935 64.614 63.200 -0.869 0.000 1.042 295 S HN 0.068 8.073 8.310 -0.959 -0.271 0.581 296 Y N -0.796 119.435 120.300 -0.116 0.000 2.430 296 Y HA 0.128 nan 4.550 nan 0.000 0.248 296 Y C -0.989 174.886 175.900 -0.041 0.000 1.108 296 Y CA 0.025 58.089 58.100 -0.059 0.000 1.264 296 Y CB 1.933 40.374 38.460 -0.032 0.000 1.172 296 Y HN -0.413 8.011 8.280 -0.296 -0.321 0.520 297 T N -2.614 111.993 114.554 0.087 0.000 2.786 297 T HA 0.180 nan 4.350 nan 0.000 0.316 297 T C -1.843 172.868 174.700 0.018 0.000 1.503 297 T CA -0.970 61.164 62.100 0.057 0.000 1.019 297 T CB 2.662 71.546 68.868 0.027 0.000 1.415 297 T HN -0.945 7.307 8.240 0.020 0.000 0.496 298 A N 0.569 123.368 122.820 -0.035 0.000 2.348 298 A HA 0.368 nan 4.320 nan 0.000 0.224 298 A C -0.735 176.771 177.584 -0.129 0.000 1.227 298 A CA -0.192 51.778 52.037 -0.111 0.000 0.885 298 A CB 1.112 19.956 19.000 -0.261 0.000 0.933 298 A HN 0.514 8.631 8.150 -0.054 0.000 0.506 299 K N -0.135 120.195 120.400 -0.118 0.000 2.205 299 K HA 0.030 nan 4.320 nan 0.000 0.279 299 K C -0.884 175.708 176.600 -0.013 0.000 1.027 299 K CA -0.515 55.737 56.287 -0.059 0.000 0.932 299 K CB 0.733 33.199 32.500 -0.057 0.000 1.032 299 K HN -0.421 7.698 8.250 -0.108 0.066 0.466 300 R N 2.398 122.900 120.500 0.002 0.000 2.357 300 R HA 0.286 nan 4.340 nan 0.000 0.296 300 R C -2.162 174.192 176.300 0.089 0.000 1.052 300 R CA -2.496 53.620 56.100 0.027 0.000 0.988 300 R CB -0.011 30.292 30.300 0.005 0.000 1.025 300 R HN 0.266 8.531 8.270 -0.008 0.000 0.469 301 P HA 0.129 nan 4.420 nan 0.000 0.271 301 P C -2.004 175.435 177.300 0.232 0.000 1.216 301 P CA 0.573 63.763 63.100 0.150 0.000 0.776 301 P CB 0.402 32.177 31.700 0.126 0.000 0.881 302 F N 4.085 124.145 119.950 0.185 0.000 2.518 302 F HA 0.534 nan 4.527 nan 0.000 0.323 302 F C -1.594 174.468 175.800 0.437 0.000 1.129 302 F CA -1.500 56.654 58.000 0.257 0.000 0.920 302 F CB 3.419 42.598 39.000 0.299 0.000 1.160 302 F HN 0.358 8.909 8.300 0.418 0.000 0.440 303 V N 8.395 128.339 119.914 0.050 0.000 2.472 303 V HA 0.463 nan 4.120 nan 0.000 0.290 303 V C -1.305 174.827 176.094 0.063 0.000 1.037 303 V CA -1.308 61.100 62.300 0.180 0.000 0.908 303 V CB 1.190 33.073 31.823 0.099 0.000 0.985 303 V HN 0.974 8.935 8.190 -0.381 0.000 0.454 304 K N 5.713 126.226 120.400 0.189 0.000 2.483 304 K HA 0.634 nan 4.320 nan 0.000 0.256 304 K C -2.144 174.420 176.600 -0.061 0.000 0.961 304 K CA -1.134 55.153 56.287 -0.001 0.000 0.873 304 K CB 2.188 34.609 32.500 -0.132 0.000 1.107 304 K HN 0.319 8.806 8.250 0.395 0.000 0.432 305 L N 5.413 126.506 121.223 -0.216 0.000 2.298 305 L HA 0.460 nan 4.340 nan 0.000 0.284 305 L C -2.438 174.274 176.870 -0.263 0.000 1.013 305 L CA -1.538 53.113 54.840 -0.316 0.000 0.824 305 L CB 2.617 44.311 42.059 -0.607 0.000 1.221 305 L HN 0.786 8.874 8.230 -0.237 0.000 0.418 306 N N 7.326 125.923 118.700 -0.173 0.000 2.402 306 N HA 0.107 nan 4.740 nan 0.000 0.252 306 N C 0.486 175.899 175.510 -0.161 0.000 1.118 306 N CA 0.155 53.129 53.050 -0.127 0.000 0.945 306 N CB 1.034 39.486 38.487 -0.058 0.000 1.147 306 N HN 0.345 8.645 8.380 -0.133 0.000 0.495 307 V N 6.352 126.148 119.914 -0.197 0.000 2.490 307 V HA -0.419 nan 4.120 nan 0.000 0.250 307 V C 0.788 176.865 176.094 -0.029 0.000 1.061 307 V CA 3.425 65.606 62.300 -0.199 0.000 1.064 307 V CB -0.546 31.201 31.823 -0.126 0.000 0.670 307 V HN 0.280 8.269 8.190 -0.173 0.098 0.461 308 E N -2.326 117.863 120.200 -0.018 0.000 2.072 308 E HA -0.210 nan 4.350 nan 0.000 0.191 308 E C 1.994 178.604 176.600 0.015 0.000 0.985 308 E CA 2.325 58.731 56.400 0.011 0.000 0.801 308 E CB 0.168 29.873 29.700 0.007 0.000 0.750 308 E HN -0.162 8.250 8.360 -0.035 -0.074 0.452 309 T N -8.250 106.306 114.554 0.003 0.000 3.040 309 T HA 0.154 nan 4.350 nan 0.000 0.250 309 T C 0.370 175.081 174.700 0.019 0.000 1.058 309 T CA -0.230 61.877 62.100 0.012 0.000 0.988 309 T CB 0.971 69.844 68.868 0.008 0.000 0.993 309 T HN -0.137 8.475 8.240 -0.014 -0.381 0.519 310 D N -0.280 120.128 120.400 0.013 0.000 2.716 310 D HA -0.344 nan 4.640 nan 0.000 0.239 310 D C -1.553 174.757 176.300 0.016 0.000 1.125 310 D CA 1.141 55.163 54.000 0.037 0.000 0.681 310 D CB -1.827 39.029 40.800 0.094 0.000 1.070 310 D HN 0.086 8.450 8.370 -0.009 0.000 0.432 311 T N -6.139 108.405 114.554 -0.017 0.000 2.876 311 T HA 0.390 nan 4.350 nan 0.000 0.289 311 T C -2.288 172.394 174.700 -0.032 0.000 1.014 311 T CA -2.010 60.088 62.100 -0.004 0.000 0.986 311 T CB 3.375 72.251 68.868 0.012 0.000 1.021 311 T HN -0.681 7.535 8.240 -0.040 0.000 0.458 312 A N 2.786 125.602 122.820 -0.006 0.000 2.401 312 A HA 0.864 nan 4.320 nan 0.000 0.310 312 A C -2.374 175.258 177.584 0.080 0.000 1.075 312 A CA -1.655 50.375 52.037 -0.011 0.000 0.746 312 A CB 2.437 21.382 19.000 -0.092 0.000 1.277 312 A HN 0.259 8.422 8.150 0.022 0.000 0.425 313 E N 1.285 121.583 120.200 0.163 0.000 2.317 313 E HA 0.931 nan 4.350 nan 0.000 0.270 313 E C -2.119 174.646 176.600 0.274 0.000 0.885 313 E CA -1.836 54.683 56.400 0.197 0.000 0.760 313 E CB 4.376 34.251 29.700 0.290 0.000 1.227 313 E HN 0.311 8.780 8.360 0.180 0.000 0.434 314 I N 2.766 123.371 120.570 0.059 0.000 2.582 314 I HA 0.725 nan 4.170 nan 0.000 0.292 314 I C -1.754 174.163 176.117 -0.333 0.000 1.066 314 I CA -1.191 60.144 61.300 0.057 0.000 1.053 314 I CB 3.044 41.109 38.000 0.108 0.000 1.241 314 I HN 0.977 9.060 8.210 -0.031 0.108 0.421 315 R N 2.488 122.679 120.500 -0.516 0.000 2.707 315 R HA 0.432 nan 4.340 nan 0.000 0.272 315 R C -1.929 174.214 176.300 -0.262 0.000 1.011 315 R CA -2.384 53.268 56.100 -0.747 0.000 0.893 315 R CB 3.875 33.161 30.300 -1.688 0.000 1.233 315 R HN 0.145 8.368 8.270 -0.079 0.000 0.464 316 L N 1.098 122.234 121.223 -0.144 0.000 2.436 316 L HA 0.359 nan 4.340 nan 0.000 0.265 316 L C 0.413 177.327 176.870 0.073 0.000 1.168 316 L CA -0.459 54.389 54.840 0.014 0.000 0.815 316 L CB 0.795 42.846 42.059 -0.013 0.000 1.109 316 L HN 0.189 8.301 8.230 -0.198 0.000 0.462 317 M N -0.155 119.507 119.600 0.103 0.000 2.245 317 M HA -0.172 nan 4.480 nan 0.000 0.344 317 M C -0.237 176.068 176.300 0.008 0.000 1.170 317 M CA 1.344 56.665 55.300 0.034 0.000 1.135 317 M CB 0.629 33.207 32.600 -0.036 0.000 1.574 317 M HN -0.019 8.336 8.290 0.109 0.000 0.452 318 c N 4.333 122.925 118.600 -0.014 0.000 2.696 318 c HA 0.188 nan 4.570 nan 0.000 0.264 318 c C 0.155 174.235 174.090 -0.016 0.000 1.288 318 c CA -0.677 55.652 56.329 -0.001 0.000 1.717 318 c CB -0.740 41.770 42.510 0.000 0.000 1.893 318 c HN 0.435 8.642 8.230 -0.039 0.000 0.577 319 T N 1.203 115.710 114.554 -0.077 0.000 2.946 319 T HA -0.128 nan 4.350 nan 0.000 0.311 319 T C 1.034 175.633 174.700 -0.169 0.000 1.063 319 T CA 1.374 63.389 62.100 -0.142 0.000 1.139 319 T CB 0.600 69.325 68.868 -0.239 0.000 0.994 319 T HN -0.236 7.898 8.240 -0.104 0.044 0.547 320 K N 6.013 126.260 120.400 -0.256 0.000 2.280 320 K HA -0.138 nan 4.320 nan 0.000 0.202 320 K C 0.786 176.855 176.600 -0.885 0.000 1.047 320 K CA 2.020 58.030 56.287 -0.460 0.000 0.942 320 K CB 0.232 32.550 32.500 -0.305 0.000 0.739 320 K HN -0.070 8.057 8.250 -0.205 0.000 0.457 321 T N 2.737 116.929 114.554 -0.604 0.000 3.688 321 T HA 0.091 nan 4.350 nan 0.000 0.307 321 T C -0.121 174.273 174.700 -0.510 0.000 1.382 321 T CA -0.719 61.010 62.100 -0.618 0.000 1.136 321 T CB -1.639 66.863 68.868 -0.610 0.000 1.207 321 T HN -0.662 7.269 8.240 -0.437 0.048 0.854 322 Y N 4.544 124.690 120.300 -0.255 0.000 2.805 322 Y HA -0.271 nan 4.550 nan 0.000 0.331 322 Y C 0.876 176.627 175.900 -0.248 0.000 1.241 322 Y CA -1.386 56.577 58.100 -0.229 0.000 1.546 322 Y CB -0.648 37.690 38.460 -0.204 0.000 1.248 322 Y HN -0.418 7.095 8.280 -1.215 0.038 0.559 323 L N 2.404 123.578 121.223 -0.081 0.000 2.607 323 L HA 0.042 nan 4.340 nan 0.000 0.228 323 L C -0.255 176.574 176.870 -0.068 0.000 1.123 323 L CA -0.158 54.609 54.840 -0.121 0.000 0.890 323 L CB -0.026 41.927 42.059 -0.176 0.000 1.103 323 L HN 0.249 8.451 8.230 -0.048 0.000 0.468 324 D N -0.306 120.058 120.400 -0.059 0.000 2.432 324 D HA 0.091 nan 4.640 nan 0.000 0.258 324 D C -2.062 174.187 176.300 -0.085 0.000 1.146 324 D CA -0.560 53.401 54.000 -0.065 0.000 1.015 324 D CB 3.060 43.822 40.800 -0.064 0.000 1.107 324 D HN -0.874 7.469 8.370 -0.045 0.000 0.529 325 T N 1.058 115.562 114.554 -0.084 0.000 2.991 325 T HA 0.463 nan 4.350 nan 0.000 0.303 325 T C -2.381 172.272 174.700 -0.078 0.000 1.015 325 T CA -2.741 59.299 62.100 -0.099 0.000 1.007 325 T CB 2.237 71.049 68.868 -0.094 0.000 1.034 325 T HN 0.172 8.369 8.240 -0.073 0.000 0.446 326 P HA 0.452 nan 4.420 nan 0.000 0.274 326 P C -1.915 175.219 177.300 -0.276 0.000 1.246 326 P CA -0.681 62.345 63.100 -0.124 0.000 0.795 326 P CB 1.037 32.738 31.700 0.001 0.000 1.006 327 R N -2.163 118.016 120.500 -0.536 0.000 2.734 327 R HA 0.485 nan 4.340 nan 0.000 0.271 327 R C -2.904 172.785 176.300 -1.018 0.000 1.021 327 R CA -2.398 53.266 56.100 -0.728 0.000 0.893 327 R CB 1.260 31.378 30.300 -0.303 0.000 1.244 327 R HN 0.127 8.099 8.270 -0.497 0.000 0.464 328 P HA 0.199 nan 4.420 nan 0.000 0.289 328 P C -1.597 175.627 177.300 -0.127 0.000 1.300 328 P CA -1.032 61.753 63.100 -0.524 0.000 0.828 328 P CB 0.585 32.146 31.700 -0.232 0.000 1.235 329 D N -1.369 119.009 120.400 -0.036 0.000 2.443 329 D HA -0.191 nan 4.640 nan 0.000 0.234 329 D C 0.340 176.658 176.300 0.031 0.000 1.172 329 D CA 0.783 54.777 54.000 -0.009 0.000 0.878 329 D CB 0.467 41.273 40.800 0.010 0.000 1.204 329 D HN -0.031 8.324 8.370 -0.024 0.000 0.453 330 D N -0.324 120.007 120.400 -0.116 0.000 2.455 330 D HA -0.249 nan 4.640 nan 0.000 0.241 330 D C 0.912 177.072 176.300 -0.233 0.000 1.138 330 D CA 1.551 55.339 54.000 -0.352 0.000 0.877 330 D CB 0.180 40.772 40.800 -0.347 0.000 1.187 330 D HN -0.193 8.111 8.370 -0.111 0.000 0.451 331 G N 4.622 113.195 108.800 -0.379 0.000 2.168 331 G HA2 -0.408 nan 3.960 nan 0.000 0.257 331 G HA3 -0.408 nan 3.960 nan 0.000 0.257 331 G C 0.472 175.455 174.900 0.138 0.000 0.997 331 G CA 1.084 46.157 45.100 -0.045 0.000 0.708 331 G HN -0.025 7.595 8.290 -1.116 0.000 0.520 332 S N -0.438 115.420 115.700 0.262 0.000 2.527 332 S HA -0.094 nan 4.470 nan 0.000 0.222 332 S C 0.543 175.237 174.600 0.156 0.000 0.985 332 S CA 1.353 59.660 58.200 0.179 0.000 0.921 332 S CB 0.723 64.020 63.200 0.162 0.000 0.772 332 S HN -0.420 8.096 8.310 0.426 0.049 0.529 333 I N 4.129 124.814 120.570 0.191 0.000 2.308 333 I HA -0.115 nan 4.170 nan 0.000 0.293 333 I C -0.683 175.475 176.117 0.069 0.000 1.078 333 I CA -0.061 61.267 61.300 0.047 0.000 1.292 333 I CB -0.640 37.262 38.000 -0.164 0.000 1.423 333 I HN -0.538 7.880 8.210 0.420 0.043 0.493 334 A N 8.282 131.128 122.820 0.044 0.000 2.322 334 A HA 0.196 nan 4.320 nan 0.000 0.269 334 A C -0.798 176.795 177.584 0.015 0.000 1.094 334 A CA 0.125 52.182 52.037 0.032 0.000 0.807 334 A CB 1.133 20.148 19.000 0.025 0.000 1.047 334 A HN 0.159 8.333 8.150 0.039 0.000 0.487 335 G N 0.367 109.175 108.800 0.012 0.000 2.408 335 G HA2 -0.031 nan 3.960 nan 0.000 0.682 335 G HA3 -0.031 nan 3.960 nan 0.000 0.682 335 G C -2.575 172.326 174.900 0.002 0.000 1.303 335 G CA -1.044 44.057 45.100 0.001 0.000 0.966 335 G HN -0.235 8.065 8.290 0.016 0.000 0.560 336 P HA 0.322 nan 4.420 nan 0.000 0.275 336 P C 1.291 178.586 177.300 -0.008 0.000 1.266 336 P CA -0.915 62.181 63.100 -0.007 0.000 0.793 336 P CB 1.015 32.707 31.700 -0.014 0.000 1.074 337 c N -0.840 117.756 118.600 -0.007 0.000 2.385 337 c HA -0.367 nan 4.570 nan 0.000 0.275 337 c C 1.880 175.955 174.090 -0.025 0.000 1.199 337 c CA 3.077 59.402 56.329 -0.007 0.000 1.782 337 c CB -0.789 41.718 42.510 -0.006 0.000 2.068 337 c HN 0.633 8.860 8.230 -0.006 0.000 0.471 338 E N -0.846 119.329 120.200 -0.041 0.000 2.338 338 E HA -0.210 nan 4.350 nan 0.000 0.197 338 E C -0.424 176.146 176.600 -0.051 0.000 1.007 338 E CA 0.719 57.084 56.400 -0.058 0.000 0.849 338 E CB -1.077 28.581 29.700 -0.069 0.000 0.774 338 E HN 0.130 8.449 8.360 -0.038 0.019 0.506 339 S N 2.386 118.062 115.700 -0.040 0.000 2.525 339 S HA -0.060 nan 4.470 nan 0.000 0.285 339 S C 0.572 175.144 174.600 -0.046 0.000 1.283 339 S CA 1.177 59.353 58.200 -0.040 0.000 1.072 339 S CB 0.144 63.327 63.200 -0.029 0.000 0.867 339 S HN -0.309 7.827 8.310 -0.032 0.154 0.492 340 N N 5.999 124.672 118.700 -0.044 0.000 2.135 340 N HA -0.191 nan 4.740 nan 0.000 0.186 340 N C 0.310 175.798 175.510 -0.036 0.000 1.027 340 N CA 1.961 54.992 53.050 -0.032 0.000 0.849 340 N CB 0.490 38.971 38.487 -0.009 0.000 1.002 340 N HN 0.460 8.812 8.380 -0.047 0.000 0.425 341 G N -2.567 106.216 108.800 -0.028 0.000 2.545 341 G HA2 -0.278 nan 3.960 nan 0.000 0.216 341 G HA3 -0.278 nan 3.960 nan 0.000 0.216 341 G C -1.944 172.956 174.900 0.000 0.000 1.314 341 G CA -0.899 44.194 45.100 -0.012 0.000 0.906 341 G HN -0.498 7.773 8.290 -0.031 0.000 0.563 342 D N 0.468 120.876 120.400 0.013 0.000 2.360 342 D HA 0.080 nan 4.640 nan 0.000 0.242 342 D C 0.341 176.577 176.300 -0.107 0.000 1.184 342 D CA 0.283 54.195 54.000 -0.147 0.000 0.930 342 D CB 0.760 41.301 40.800 -0.431 0.000 1.161 342 D HN 0.078 8.503 8.370 0.092 0.000 0.447 343 K N -0.421 119.866 120.400 -0.189 0.000 2.057 343 K HA -0.257 nan 4.320 nan 0.000 0.206 343 K C -0.257 176.348 176.600 0.008 0.000 1.050 343 K CA 1.197 57.442 56.287 -0.070 0.000 0.935 343 K CB 0.433 32.887 32.500 -0.077 0.000 0.715 343 K HN 0.247 8.343 8.250 -0.257 0.000 0.439 344 W N -3.682 117.578 121.300 -0.067 0.000 6.562 344 W HA -0.244 nan 4.660 nan 0.000 0.418 344 W C -0.948 175.516 176.519 -0.093 0.000 1.645 344 W CA -0.835 56.464 57.345 -0.076 0.000 1.086 344 W CB -2.039 27.369 29.460 -0.087 0.000 2.865 344 W HN -0.373 7.472 8.180 -0.558 0.000 1.517 345 L N -0.496 120.744 121.223 0.028 0.000 2.667 345 L HA -0.262 nan 4.340 nan 0.000 0.278 345 L C 0.232 177.096 176.870 -0.009 0.000 1.217 345 L CA 0.985 55.805 54.840 -0.034 0.000 0.935 345 L CB 0.134 42.154 42.059 -0.066 0.000 1.193 345 L HN -0.639 7.563 8.230 -0.048 0.000 0.493 346 G N 5.628 114.396 108.800 -0.052 0.000 2.371 346 G HA2 -0.157 nan 3.960 nan 0.000 0.663 346 G HA3 -0.157 nan 3.960 nan 0.000 0.663 346 G C -2.796 172.076 174.900 -0.048 0.000 1.311 346 G CA -0.435 44.640 45.100 -0.040 0.000 0.985 346 G HN 0.754 8.878 8.290 -0.105 0.103 0.566 347 G N -2.386 106.390 108.800 -0.040 0.000 2.490 347 G HA2 0.609 nan 3.960 nan 0.000 0.308 347 G HA3 0.609 nan 3.960 nan 0.000 0.308 347 G C -3.119 171.755 174.900 -0.044 0.000 1.286 347 G CA -0.186 44.884 45.100 -0.050 0.000 0.825 347 G HN -0.201 8.074 8.290 -0.026 0.000 0.479 348 I N -1.569 118.955 120.570 -0.076 0.000 2.828 348 I HA 0.175 nan 4.170 nan 0.000 0.295 348 I C -2.868 173.099 176.117 -0.252 0.000 1.459 348 I CA -0.646 60.579 61.300 -0.125 0.000 1.015 348 I CB 3.411 41.376 38.000 -0.058 0.000 1.345 348 I HN 0.009 8.353 8.210 -0.080 -0.182 0.449 349 K N 6.901 126.927 120.400 -0.624 0.000 2.368 349 K HA 0.055 nan 4.320 nan 0.000 0.282 349 K C -1.013 175.488 176.600 -0.165 0.000 1.035 349 K CA 0.472 56.479 56.287 -0.467 0.000 0.973 349 K CB 0.948 32.985 32.500 -0.771 0.000 0.957 349 K HN 0.417 7.943 8.250 -1.206 0.000 0.474 350 G N 2.233 111.023 108.800 -0.018 0.000 2.400 350 G HA2 0.326 nan 3.960 nan 0.000 0.333 350 G HA3 0.326 nan 3.960 nan 0.000 0.333 350 G C -1.267 173.743 174.900 0.184 0.000 1.143 350 G CA -1.467 43.683 45.100 0.083 0.000 0.914 350 G HN 0.039 8.319 8.290 -0.017 0.000 0.480 351 G N -0.371 108.551 108.800 0.203 0.000 2.432 351 G HA2 0.006 nan 3.960 nan 0.000 0.257 351 G HA3 0.006 nan 3.960 nan 0.000 0.257 351 G C -2.191 172.920 174.900 0.352 0.000 1.238 351 G CA -0.296 44.945 45.100 0.234 0.000 0.838 351 G HN -0.232 8.159 8.290 0.168 0.000 0.547 352 F N 3.221 123.234 119.950 0.104 0.000 2.639 352 F HA 0.341 nan 4.527 nan 0.000 0.326 352 F C -2.462 173.320 175.800 -0.031 0.000 1.150 352 F CA -0.854 57.149 58.000 0.005 0.000 1.057 352 F CB 2.610 41.648 39.000 0.063 0.000 1.300 352 F HN -0.312 8.162 8.300 0.291 0.000 0.486 353 V N 5.856 125.401 119.914 -0.615 0.000 3.012 353 V HA 0.432 nan 4.120 nan 0.000 0.307 353 V C -2.478 173.293 176.094 -0.538 0.000 1.166 353 V CA -2.013 59.974 62.300 -0.521 0.000 0.974 353 V CB 4.669 36.423 31.823 -0.114 0.000 1.040 353 V HN 0.498 8.411 8.190 -0.462 0.000 0.428 354 H N 5.702 124.599 119.070 -0.289 0.000 2.481 354 H HA 0.594 nan 4.556 nan 0.000 0.339 354 H C -1.222 174.156 175.328 0.085 0.000 1.131 354 H CA -0.740 55.250 56.048 -0.097 0.000 1.301 354 H CB 1.463 31.172 29.762 -0.088 0.000 1.476 354 H HN 0.335 8.562 8.280 -0.088 0.000 0.529 355 Q N 2.956 122.942 119.800 0.309 0.000 2.401 355 Q HA 0.224 nan 4.340 nan 0.000 0.260 355 Q C -1.275 174.880 176.000 0.257 0.000 1.034 355 Q CA -1.517 54.476 55.803 0.316 0.000 0.737 355 Q CB 1.520 30.581 28.738 0.539 0.000 1.227 355 Q HN 0.747 9.186 8.270 0.283 0.000 0.488 356 R N 7.000 127.610 120.500 0.184 0.000 2.234 356 R HA 0.463 nan 4.340 nan 0.000 0.324 356 R C -0.910 175.460 176.300 0.117 0.000 1.054 356 R CA -0.176 56.007 56.100 0.138 0.000 0.912 356 R CB 1.129 31.485 30.300 0.092 0.000 1.030 356 R HN 0.624 8.989 8.270 0.160 0.000 0.455 357 M N 4.929 124.598 119.600 0.115 0.000 2.724 357 M HA 0.241 nan 4.480 nan 0.000 0.310 357 M C -0.172 176.162 176.300 0.056 0.000 1.217 357 M CA -0.370 54.980 55.300 0.084 0.000 0.894 357 M CB 2.418 35.071 32.600 0.088 0.000 1.719 357 M HN 0.102 8.470 8.290 0.129 0.000 0.479 358 A N 0.711 123.553 122.820 0.036 0.000 1.978 358 A HA -0.189 nan 4.320 nan 0.000 0.220 358 A C 0.179 177.776 177.584 0.022 0.000 1.170 358 A CA 2.801 54.851 52.037 0.023 0.000 0.636 358 A CB -0.655 18.353 19.000 0.013 0.000 0.810 358 A HN 0.570 8.741 8.150 0.034 0.000 0.448 359 S N -3.547 112.168 115.700 0.025 0.000 2.731 359 S HA 0.085 nan 4.470 nan 0.000 0.244 359 S C -0.099 174.522 174.600 0.036 0.000 1.084 359 S CA 0.759 58.972 58.200 0.021 0.000 0.877 359 S CB 0.977 64.182 63.200 0.008 0.000 0.798 359 S HN -0.184 8.110 8.310 0.027 0.032 0.496 360 K N 1.653 122.084 120.400 0.051 0.000 2.210 360 K HA 0.347 nan 4.320 nan 0.000 0.236 360 K C -2.386 174.300 176.600 0.142 0.000 1.016 360 K CA -1.230 55.111 56.287 0.090 0.000 0.913 360 K CB 1.757 34.304 32.500 0.080 0.000 1.141 360 K HN -0.632 7.644 8.250 0.043 0.000 0.462 361 I N -0.517 120.170 120.570 0.195 0.000 2.534 361 I HA 0.275 nan 4.170 nan 0.000 0.286 361 I C -2.114 174.130 176.117 0.211 0.000 1.094 361 I CA -1.469 59.950 61.300 0.199 0.000 1.055 361 I CB 3.382 41.474 38.000 0.153 0.000 1.225 361 I HN -0.258 8.236 8.210 0.210 -0.157 0.435 362 G N 7.950 116.859 108.800 0.182 0.000 2.332 362 G HA2 0.637 nan 3.960 nan 0.000 0.310 362 G HA3 0.637 nan 3.960 nan 0.000 0.310 362 G C -2.220 172.534 174.900 -0.243 0.000 1.123 362 G CA -1.324 43.631 45.100 -0.241 0.000 0.873 362 G HN 1.040 9.372 8.290 0.255 0.110 0.460 363 R N 4.826 125.043 120.500 -0.472 0.000 2.337 363 R HA 0.532 nan 4.340 nan 0.000 0.319 363 R C -1.157 174.730 176.300 -0.688 0.000 0.954 363 R CA -1.295 54.553 56.100 -0.420 0.000 0.840 363 R CB 2.261 32.466 30.300 -0.158 0.000 1.164 363 R HN 0.588 8.371 8.270 -0.629 0.109 0.472 364 W N 4.971 125.911 121.300 -0.600 0.000 2.433 364 W HA 0.303 nan 4.660 nan 0.000 0.315 364 W C -1.040 175.193 176.519 -0.476 0.000 1.087 364 W CA -0.704 56.345 57.345 -0.494 0.000 1.205 364 W CB 1.504 30.672 29.460 -0.486 0.000 1.288 364 W HN 0.636 8.698 8.180 -0.198 0.000 0.504 365 Y N 1.512 121.937 120.300 0.208 0.000 2.605 365 Y HA 0.582 nan 4.550 nan 0.000 0.343 365 Y C -1.499 174.494 175.900 0.155 0.000 1.036 365 Y CA -2.013 56.205 58.100 0.196 0.000 1.065 365 Y CB 4.434 42.979 38.460 0.141 0.000 1.288 365 Y HN 0.816 9.264 8.280 0.280 0.000 0.481 366 S N -0.612 115.273 115.700 0.308 0.000 2.549 366 S HA 0.865 nan 4.470 nan 0.000 0.280 366 S C -1.575 173.126 174.600 0.168 0.000 1.109 366 S CA -1.313 57.005 58.200 0.197 0.000 0.905 366 S CB 2.702 65.957 63.200 0.091 0.000 1.081 366 S HN 0.034 8.544 8.310 0.334 0.000 0.477 367 R N -0.159 120.433 120.500 0.154 0.000 2.710 367 R HA 0.548 nan 4.340 nan 0.000 0.270 367 R C -1.132 175.212 176.300 0.074 0.000 1.021 367 R CA -1.337 54.816 56.100 0.089 0.000 0.889 367 R CB 3.577 33.900 30.300 0.039 0.000 1.243 367 R HN 0.412 8.788 8.270 0.177 0.000 0.464 368 T N -2.871 111.704 114.554 0.035 0.000 2.900 368 T HA 0.191 nan 4.350 nan 0.000 0.307 368 T C 1.756 176.468 174.700 0.021 0.000 1.065 368 T CA 0.051 62.164 62.100 0.023 0.000 1.105 368 T CB 0.437 69.299 68.868 -0.011 0.000 0.979 368 T HN 0.547 8.797 8.240 0.017 0.000 0.544 369 M N 1.907 121.518 119.600 0.019 0.000 2.200 369 M HA -0.241 nan 4.480 nan 0.000 0.265 369 M C 0.602 176.901 176.300 -0.002 0.000 1.066 369 M CA 3.156 58.465 55.300 0.016 0.000 1.127 369 M CB 0.410 33.017 32.600 0.012 0.000 1.379 369 M HN 0.085 8.267 8.290 0.021 0.121 0.420 370 S N -1.934 113.759 115.700 -0.012 0.000 2.545 370 S HA -0.006 nan 4.470 nan 0.000 0.275 370 S C 0.278 174.844 174.600 -0.055 0.000 1.299 370 S CA -0.742 57.441 58.200 -0.029 0.000 1.048 370 S CB 1.098 64.283 63.200 -0.025 0.000 0.938 370 S HN -0.657 7.649 8.310 -0.006 0.000 0.496 371 K N 6.314 126.669 120.400 -0.076 0.000 2.288 371 K HA -0.163 nan 4.320 nan 0.000 0.201 371 K C 1.246 177.757 176.600 -0.147 0.000 1.048 371 K CA 3.125 59.334 56.287 -0.130 0.000 0.956 371 K CB -0.024 32.379 32.500 -0.163 0.000 0.746 371 K HN 0.706 8.917 8.250 -0.064 0.000 0.461 372 T N -7.466 107.031 114.554 -0.096 0.000 3.018 372 T HA 0.131 nan 4.350 nan 0.000 0.246 372 T C 0.793 175.456 174.700 -0.062 0.000 1.026 372 T CA -0.141 61.918 62.100 -0.068 0.000 1.081 372 T CB 0.683 69.535 68.868 -0.027 0.000 0.970 372 T HN -0.373 7.783 8.240 -0.074 0.040 0.475 373 N N 1.809 120.470 118.700 -0.064 0.000 2.402 373 N HA 0.173 nan 4.740 nan 0.000 0.294 373 N C -0.341 175.103 175.510 -0.110 0.000 1.203 373 N CA -1.343 51.660 53.050 -0.078 0.000 0.838 373 N CB 2.348 40.813 38.487 -0.037 0.000 1.306 373 N HN 0.202 8.549 8.380 -0.055 0.000 0.510 374 R N 1.065 121.450 120.500 -0.192 0.000 4.496 374 R HA 0.045 nan 4.340 nan 0.000 0.211 374 R C -1.299 174.975 176.300 -0.043 0.000 1.738 374 R CA -0.545 55.390 56.100 -0.275 0.000 1.528 374 R CB -1.913 27.844 30.300 -0.905 0.000 1.414 374 R HN 0.400 8.545 8.270 -0.208 0.000 0.812 375 M N 0.038 119.644 119.600 0.009 0.000 2.393 375 M HA 0.476 nan 4.480 nan 0.000 0.299 375 M C -0.784 175.545 176.300 0.048 0.000 1.103 375 M CA -1.474 53.865 55.300 0.065 0.000 0.910 375 M CB 3.511 36.142 32.600 0.052 0.000 1.659 375 M HN -0.016 8.190 8.290 -0.023 0.070 0.445 376 G N 2.628 111.466 108.800 0.062 0.000 2.814 376 G HA2 -0.350 nan 3.960 nan 0.000 0.677 376 G HA3 -0.350 nan 3.960 nan 0.000 0.677 376 G C -2.389 172.535 174.900 0.040 0.000 1.429 376 G CA -0.102 45.022 45.100 0.040 0.000 0.868 376 G HN 0.294 8.634 8.290 0.083 0.000 0.553 377 M N 1.242 120.851 119.600 0.014 0.000 2.296 377 M HA 0.330 nan 4.480 nan 0.000 0.268 377 M C -2.644 173.631 176.300 -0.041 0.000 1.048 377 M CA -0.075 55.228 55.300 0.006 0.000 0.966 377 M CB 3.592 36.195 32.600 0.005 0.000 1.912 377 M HN 0.404 8.693 8.290 -0.002 0.000 0.484 378 E N 3.886 124.079 120.200 -0.012 0.000 2.207 378 E HA 0.825 nan 4.350 nan 0.000 0.270 378 E C -1.760 174.781 176.600 -0.097 0.000 0.927 378 E CA -1.906 54.442 56.400 -0.086 0.000 0.799 378 E CB 3.623 33.291 29.700 -0.053 0.000 1.172 378 E HN 0.892 9.170 8.360 0.048 0.111 0.404 379 L N 0.924 122.000 121.223 -0.245 0.000 2.334 379 L HA 0.720 nan 4.340 nan 0.000 0.275 379 L C -1.712 174.951 176.870 -0.345 0.000 1.036 379 L CA -0.893 53.841 54.840 -0.176 0.000 0.807 379 L CB 2.731 44.677 42.059 -0.189 0.000 1.231 379 L HN 0.781 8.725 8.230 -0.296 0.109 0.438 380 Y N 0.817 121.138 120.300 0.036 0.000 2.562 380 Y HA 0.577 nan 4.550 nan 0.000 0.345 380 Y C -2.312 173.532 175.900 -0.094 0.000 1.045 380 Y CA -0.635 57.462 58.100 -0.004 0.000 1.028 380 Y CB 4.295 42.770 38.460 0.026 0.000 1.297 380 Y HN 0.239 8.631 8.280 0.186 0.000 0.463 381 V N 1.215 121.031 119.914 -0.164 0.000 3.130 381 V HA 0.851 nan 4.120 nan 0.000 0.310 381 V C -2.789 173.047 176.094 -0.431 0.000 1.158 381 V CA -2.211 59.673 62.300 -0.692 0.000 1.029 381 V CB 4.636 35.472 31.823 -1.646 0.000 1.057 381 V HN 0.680 8.829 8.190 -0.069 0.000 0.436 382 R N 3.838 123.982 120.500 -0.594 0.000 2.603 382 R HA 0.308 nan 4.340 nan 0.000 0.280 382 R C -2.667 173.364 176.300 -0.448 0.000 1.185 382 R CA -0.194 55.708 56.100 -0.331 0.000 1.039 382 R CB 3.102 33.361 30.300 -0.069 0.000 1.247 382 R HN -0.148 7.572 8.270 -0.917 0.000 0.413 383 Y N 4.087 124.314 120.300 -0.123 0.000 2.313 383 Y HA 0.279 nan 4.550 nan 0.000 0.332 383 Y C -0.106 175.771 175.900 -0.039 0.000 1.071 383 Y CA 0.469 58.520 58.100 -0.080 0.000 1.169 383 Y CB 0.494 38.911 38.460 -0.071 0.000 1.192 383 Y HN 0.125 8.383 8.280 -0.037 0.000 0.487 384 D N 1.670 122.145 120.400 0.125 0.000 3.565 384 D HA -0.431 nan 4.640 nan 0.000 0.257 384 D C 0.380 176.694 176.300 0.024 0.000 1.938 384 D CA 1.492 55.536 54.000 0.074 0.000 1.130 384 D CB -0.156 40.690 40.800 0.077 0.000 0.859 384 D HN 0.690 9.038 8.370 0.139 0.106 1.039 385 G N -1.371 107.434 108.800 0.008 0.000 2.681 385 G HA2 -0.395 nan 3.960 nan 0.000 0.220 385 G HA3 -0.395 nan 3.960 nan 0.000 0.220 385 G C -2.194 172.674 174.900 -0.053 0.000 1.353 385 G CA -0.371 44.718 45.100 -0.019 0.000 0.872 385 G HN 0.146 8.446 8.290 0.017 0.000 0.557 386 D N -0.198 120.154 120.400 -0.079 0.000 2.542 386 D HA 0.519 nan 4.640 nan 0.000 0.252 386 D C -1.373 174.819 176.300 -0.181 0.000 1.222 386 D CA -3.222 50.694 54.000 -0.140 0.000 0.895 386 D CB 1.145 41.899 40.800 -0.076 0.000 1.207 386 D HN -0.623 8.120 8.370 -0.060 -0.410 0.558 387 P HA -0.161 nan 4.420 nan 0.000 0.216 387 P C 0.937 178.129 177.300 -0.180 0.000 1.150 387 P CA 2.261 65.094 63.100 -0.444 0.000 0.843 387 P CB 0.145 31.154 31.700 -1.152 0.000 0.787 388 W N -5.674 115.444 121.300 -0.303 0.000 2.421 388 W HA -0.096 nan 4.660 nan 0.000 0.270 388 W C 0.722 177.178 176.519 -0.105 0.000 1.233 388 W CA 1.490 58.739 57.345 -0.161 0.000 1.226 388 W CB -0.684 28.722 29.460 -0.090 0.000 1.121 388 W HN -0.067 8.186 8.180 -0.247 -0.221 0.579 389 T N -8.568 106.053 114.554 0.112 0.000 2.954 389 T HA 0.149 nan 4.350 nan 0.000 0.252 389 T C 0.112 174.816 174.700 0.006 0.000 0.983 389 T CA -0.395 61.737 62.100 0.053 0.000 0.941 389 T CB 1.904 70.808 68.868 0.059 0.000 1.141 389 T HN -0.608 7.515 8.240 0.065 0.156 0.500 390 D N 5.163 125.550 120.400 -0.022 0.000 2.343 390 D HA 0.186 nan 4.640 nan 0.000 0.255 390 D C -0.281 175.991 176.300 -0.047 0.000 1.187 390 D CA 0.591 54.569 54.000 -0.037 0.000 0.875 390 D CB -0.015 40.754 40.800 -0.052 0.000 1.136 390 D HN 0.026 8.375 8.370 -0.036 0.000 0.469 391 S N 1.075 116.753 115.700 -0.037 0.000 2.501 391 S HA -0.136 nan 4.470 nan 0.000 0.220 391 S C 0.101 174.659 174.600 -0.070 0.000 0.997 391 S CA 0.443 58.617 58.200 -0.042 0.000 0.919 391 S CB 0.642 63.828 63.200 -0.023 0.000 0.778 391 S HN 0.145 8.438 8.310 -0.028 0.000 0.523 392 D N 2.902 123.263 120.400 -0.066 0.000 2.506 392 D HA -0.193 nan 4.640 nan 0.000 0.234 392 D C -0.834 175.401 176.300 -0.109 0.000 1.143 392 D CA 1.293 55.249 54.000 -0.074 0.000 0.871 392 D CB 0.193 40.962 40.800 -0.052 0.000 1.190 392 D HN -0.312 7.982 8.370 -0.053 0.044 0.459 393 A N 0.999 123.750 122.820 -0.115 0.000 2.445 393 A HA -0.048 nan 4.320 nan 0.000 0.242 393 A C -0.055 177.458 177.584 -0.118 0.000 1.075 393 A CA -0.053 51.892 52.037 -0.153 0.000 0.777 393 A CB 0.836 19.760 19.000 -0.127 0.000 1.013 393 A HN 0.063 8.157 8.150 -0.093 0.000 0.493 394 L N -0.346 120.779 121.223 -0.162 0.000 2.453 394 L HA 0.173 nan 4.340 nan 0.000 0.261 394 L C 0.734 177.668 176.870 0.107 0.000 1.179 394 L CA -0.632 54.169 54.840 -0.066 0.000 0.813 394 L CB 0.120 42.078 42.059 -0.170 0.000 1.110 394 L HN 0.078 8.146 8.230 -0.271 0.000 0.466 395 T N 4.903 119.532 114.554 0.124 0.000 2.728 395 T HA 0.114 nan 4.350 nan 0.000 0.296 395 T C -0.807 173.945 174.700 0.086 0.000 0.940 395 T CA -0.253 61.903 62.100 0.093 0.000 1.013 395 T CB -0.139 68.729 68.868 0.000 0.000 0.912 395 T HN 0.025 8.299 8.240 0.056 0.000 0.484 396 L N 7.191 128.415 121.223 0.002 0.000 2.499 396 L HA -0.190 nan 4.340 nan 0.000 0.273 396 L C -0.446 176.277 176.870 -0.246 0.000 1.195 396 L CA 1.030 55.621 54.840 -0.416 0.000 0.882 396 L CB 0.541 42.426 42.059 -0.291 0.000 1.133 396 L HN 0.480 8.763 8.230 0.089 0.000 0.483 397 S N 4.664 120.194 115.700 -0.283 0.000 2.526 397 S HA 0.292 nan 4.470 nan 0.000 0.220 397 S C -1.058 173.506 174.600 -0.059 0.000 1.017 397 S CA 0.444 58.602 58.200 -0.070 0.000 0.930 397 S CB 2.366 65.627 63.200 0.102 0.000 0.856 397 S HN 0.831 8.738 8.310 -0.488 0.111 0.497 398 G N -1.963 106.741 108.800 -0.160 0.000 2.347 398 G HA2 -0.092 nan 3.960 nan 0.000 0.303 398 G HA3 -0.092 nan 3.960 nan 0.000 0.303 398 G C -3.341 171.470 174.900 -0.149 0.000 1.481 398 G CA 0.173 45.210 45.100 -0.104 0.000 0.914 398 G HN -0.935 7.180 8.290 -0.292 0.000 0.638 399 V N 1.515 121.375 119.914 -0.090 0.000 2.333 399 V HA 0.311 nan 4.120 nan 0.000 0.274 399 V C 0.180 176.207 176.094 -0.112 0.000 1.028 399 V CA -0.157 62.090 62.300 -0.090 0.000 0.851 399 V CB -0.233 31.569 31.823 -0.035 0.000 1.000 399 V HN 0.467 8.633 8.190 -0.041 0.000 0.456 400 M N 6.884 126.347 119.600 -0.229 0.000 2.394 400 M HA 0.077 nan 4.480 nan 0.000 0.266 400 M C -0.791 175.445 176.300 -0.107 0.000 1.098 400 M CA 2.766 57.826 55.300 -0.400 0.000 1.149 400 M CB 1.513 33.609 32.600 -0.841 0.000 1.369 400 M HN 0.369 8.528 8.290 -0.219 0.000 0.450 401 V N -3.476 116.401 119.914 -0.062 0.000 2.668 401 V HA 0.323 nan 4.120 nan 0.000 0.304 401 V C -1.391 174.704 176.094 0.001 0.000 1.071 401 V CA -2.189 60.112 62.300 0.003 0.000 0.894 401 V CB 1.695 33.540 31.823 0.036 0.000 1.008 401 V HN -0.498 7.640 8.190 -0.087 0.000 0.425 402 S N 4.900 120.603 115.700 0.004 0.000 2.600 402 S HA 0.289 nan 4.470 nan 0.000 0.265 402 S C 1.456 176.066 174.600 0.018 0.000 1.325 402 S CA -0.094 58.109 58.200 0.006 0.000 1.002 402 S CB 1.249 64.449 63.200 0.000 0.000 0.921 402 S HN 0.356 8.666 8.310 -0.000 0.000 0.554 403 I N -2.869 117.711 120.570 0.017 0.000 2.700 403 I HA -0.256 nan 4.170 nan 0.000 0.261 403 I C 0.723 176.858 176.117 0.030 0.000 1.219 403 I CA 2.596 63.910 61.300 0.023 0.000 1.463 403 I CB -0.664 37.346 38.000 0.016 0.000 1.092 403 I HN 0.583 8.800 8.210 0.012 0.000 0.452 404 E N -0.912 119.303 120.200 0.025 0.000 2.347 404 E HA -0.137 nan 4.350 nan 0.000 0.196 404 E C -0.154 176.468 176.600 0.037 0.000 1.008 404 E CA 1.651 58.067 56.400 0.026 0.000 0.852 404 E CB 0.082 29.792 29.700 0.016 0.000 0.783 404 E HN 0.187 8.516 8.360 0.018 0.042 0.505 405 E N -1.450 118.776 120.200 0.044 0.000 2.212 405 E HA 0.455 nan 4.350 nan 0.000 0.270 405 E C -2.458 174.199 176.600 0.096 0.000 0.956 405 E CA -3.204 53.232 56.400 0.060 0.000 0.825 405 E CB 0.515 30.243 29.700 0.047 0.000 1.167 405 E HN -0.571 7.642 8.360 0.037 0.170 0.400 406 P HA -0.002 nan 4.420 nan 0.000 0.271 406 P C -1.236 176.227 177.300 0.272 0.000 1.216 406 P CA -0.253 62.990 63.100 0.238 0.000 0.771 406 P CB 0.103 31.880 31.700 0.129 0.000 0.864 407 G N 2.163 111.178 108.800 0.359 0.000 3.003 407 G HA2 0.212 nan 3.960 nan 0.000 0.293 407 G HA3 0.212 nan 3.960 nan 0.000 0.293 407 G C -1.862 173.241 174.900 0.338 0.000 1.553 407 G CA 0.100 45.364 45.100 0.273 0.000 1.078 407 G HN 0.448 8.841 8.290 0.376 0.123 0.550 408 W N 5.237 126.607 121.300 0.117 0.000 2.398 408 W HA 0.376 nan 4.660 nan 0.000 0.645 408 W C -0.488 176.240 176.519 0.348 0.000 1.805 408 W CA -0.705 56.758 57.345 0.198 0.000 0.942 408 W CB 1.256 30.788 29.460 0.120 0.000 3.378 408 W HN 0.211 8.728 8.180 0.562 0.000 0.713 409 Y N -2.589 117.967 120.300 0.427 0.000 2.457 409 Y HA -0.130 nan 4.550 nan 0.000 0.341 409 Y C -0.510 175.582 175.900 0.320 0.000 1.240 409 Y CA 0.477 58.779 58.100 0.337 0.000 1.437 409 Y CB 0.517 39.204 38.460 0.378 0.000 1.328 409 Y HN -0.330 8.721 8.280 0.834 -0.270 0.588 410 S N -0.113 115.830 115.700 0.406 0.000 2.569 410 S HA 0.810 nan 4.470 nan 0.000 0.280 410 S C -1.770 173.029 174.600 0.331 0.000 1.111 410 S CA -1.107 57.234 58.200 0.237 0.000 0.887 410 S CB 3.141 66.416 63.200 0.125 0.000 1.095 410 S HN -0.198 8.304 8.310 0.320 0.000 0.476 411 F N -4.603 115.523 119.950 0.294 0.000 2.685 411 F HA 0.503 nan 4.527 nan 0.000 0.315 411 F C -1.786 174.206 175.800 0.320 0.000 1.126 411 F CA -1.719 56.458 58.000 0.295 0.000 0.950 411 F CB 2.155 41.358 39.000 0.337 0.000 1.360 411 F HN 0.502 8.493 8.300 -0.515 0.000 0.469 412 G N -2.671 106.431 108.800 0.503 0.000 2.481 412 G HA2 0.834 nan 3.960 nan 0.000 0.315 412 G HA3 0.834 nan 3.960 nan 0.000 0.315 412 G C -2.546 172.684 174.900 0.550 0.000 1.231 412 G CA -1.319 43.987 45.100 0.343 0.000 0.968 412 G HN -0.027 8.576 8.290 0.522 0.000 0.482 413 F N -3.737 116.372 119.950 0.264 0.000 2.741 413 F HA 0.551 nan 4.527 nan 0.000 0.313 413 F C -3.248 172.648 175.800 0.159 0.000 1.153 413 F CA -1.793 56.358 58.000 0.251 0.000 0.931 413 F CB 2.457 41.667 39.000 0.350 0.000 1.335 413 F HN 0.499 8.753 8.300 -0.077 0.000 0.460 414 E N -1.210 119.157 120.200 0.278 0.000 2.272 414 E HA 0.633 nan 4.350 nan 0.000 0.269 414 E C -1.276 175.449 176.600 0.209 0.000 0.877 414 E CA -1.534 54.921 56.400 0.092 0.000 0.755 414 E CB 3.530 33.287 29.700 0.095 0.000 1.192 414 E HN 0.057 8.697 8.360 0.467 0.000 0.422 415 I N 4.203 124.835 120.570 0.103 0.000 2.365 415 I HA 0.024 nan 4.170 nan 0.000 0.291 415 I C -0.546 175.613 176.117 0.071 0.000 1.004 415 I CA -0.475 60.908 61.300 0.138 0.000 1.311 415 I CB 1.336 39.395 38.000 0.098 0.000 1.401 415 I HN 0.870 8.960 8.210 -0.027 0.104 0.491 416 K N 7.342 127.784 120.400 0.071 0.000 2.310 416 K HA 0.100 nan 4.320 nan 0.000 0.290 416 K C -0.685 175.929 176.600 0.023 0.000 1.077 416 K CA -0.919 55.392 56.287 0.040 0.000 0.922 416 K CB -0.865 31.652 32.500 0.030 0.000 1.057 416 K HN 0.384 8.687 8.250 0.089 0.000 0.479 417 D N 4.885 125.292 120.400 0.012 0.000 2.387 417 D HA 0.150 nan 4.640 nan 0.000 0.255 417 D C 0.802 177.104 176.300 0.004 0.000 1.081 417 D CA -1.222 52.780 54.000 0.004 0.000 0.994 417 D CB 2.822 43.618 40.800 -0.007 0.000 1.127 417 D HN 0.251 8.628 8.370 0.011 0.000 0.513 418 K N 2.023 122.424 120.400 0.001 0.000 2.066 418 K HA -0.345 nan 4.320 nan 0.000 0.221 418 K C 0.590 177.191 176.600 0.002 0.000 1.056 418 K CA 3.320 59.608 56.287 0.001 0.000 0.950 418 K CB -0.085 32.413 32.500 -0.002 0.000 0.726 418 K HN 0.523 8.773 8.250 -0.001 0.000 0.456 419 K N -6.823 113.577 120.400 0.001 0.000 2.564 419 K HA 0.208 nan 4.320 nan 0.000 0.201 419 K C -1.337 175.266 176.600 0.004 0.000 1.086 419 K CA -1.016 55.272 56.287 0.002 0.000 1.062 419 K CB -0.090 32.410 32.500 -0.001 0.000 0.849 419 K HN 0.013 8.262 8.250 -0.001 0.000 0.529 420 c N -3.388 115.215 118.600 0.005 0.000 3.312 420 c HA 0.463 nan 4.570 nan 0.000 0.332 420 c C -1.874 172.220 174.090 0.007 0.000 1.340 420 c CA -1.708 54.625 56.329 0.006 0.000 1.265 420 c CB 2.787 45.299 42.510 0.003 0.000 1.563 420 c HN -0.657 7.575 8.230 0.004 0.000 0.471 421 D N -0.397 120.009 120.400 0.010 0.000 2.181 421 D HA 0.595 nan 4.640 nan 0.000 0.248 421 D C -1.227 175.062 176.300 -0.019 0.000 1.020 421 D CA -0.987 53.019 54.000 0.010 0.000 0.891 421 D CB 2.251 43.070 40.800 0.031 0.000 1.187 421 D HN -0.101 8.278 8.370 0.015 0.000 0.443 422 V N 1.775 121.661 119.914 -0.046 0.000 2.334 422 V HA 0.405 nan 4.120 nan 0.000 0.281 422 V C -2.055 173.919 176.094 -0.199 0.000 1.016 422 V CA -3.926 58.299 62.300 -0.124 0.000 0.832 422 V CB 1.112 32.857 31.823 -0.130 0.000 0.999 422 V HN 0.804 8.873 8.190 -0.022 0.108 0.439 423 P HA 0.547 nan 4.420 nan 0.000 0.280 423 P C -1.496 175.472 177.300 -0.553 0.000 1.244 423 P CA -0.720 62.208 63.100 -0.286 0.000 0.784 423 P CB 0.395 32.009 31.700 -0.143 0.000 0.913 424 c N 1.902 120.159 118.600 -0.572 0.000 2.994 424 c HA 0.901 nan 4.570 nan 0.000 0.304 424 c C -1.009 172.883 174.090 -0.331 0.000 1.273 424 c CA -1.233 54.703 56.329 -0.656 0.000 1.537 424 c CB 4.523 46.339 42.510 -1.156 0.000 2.001 424 c HN 0.846 8.766 8.230 -0.517 0.000 0.471 425 I N 0.708 121.260 120.570 -0.030 0.000 2.466 425 I HA 0.570 nan 4.170 nan 0.000 0.289 425 I C -1.466 174.611 176.117 -0.066 0.000 1.026 425 I CA -1.113 60.193 61.300 0.010 0.000 1.078 425 I CB 3.333 41.390 38.000 0.095 0.000 1.249 425 I HN 1.027 9.154 8.210 0.043 0.109 0.429 426 G N 5.834 114.323 108.800 -0.517 0.000 2.389 426 G HA2 0.862 nan 3.960 nan 0.000 0.328 426 G HA3 0.862 nan 3.960 nan 0.000 0.328 426 G C -2.405 172.090 174.900 -0.675 0.000 1.133 426 G CA -1.996 42.630 45.100 -0.791 0.000 0.891 426 G HN 0.912 8.641 8.290 -0.754 0.109 0.485 427 I N 0.491 120.988 120.570 -0.121 0.000 2.533 427 I HA 0.455 nan 4.170 nan 0.000 0.290 427 I C -1.947 174.308 176.117 0.229 0.000 1.056 427 I CA -0.946 60.403 61.300 0.082 0.000 1.057 427 I CB 3.842 41.910 38.000 0.114 0.000 1.240 427 I HN 0.881 9.002 8.210 0.014 0.098 0.423 428 E N 7.127 127.517 120.200 0.317 0.000 2.167 428 E HA 0.350 nan 4.350 nan 0.000 0.284 428 E C -1.451 175.250 176.600 0.168 0.000 1.016 428 E CA -1.304 55.263 56.400 0.277 0.000 0.817 428 E CB 1.819 31.723 29.700 0.340 0.000 1.080 428 E HN 0.923 9.390 8.360 0.358 0.107 0.397 429 M N 7.307 126.916 119.600 0.015 0.000 2.131 429 M HA 0.239 nan 4.480 nan 0.000 0.345 429 M C -1.485 174.533 176.300 -0.469 0.000 1.060 429 M CA -1.259 53.977 55.300 -0.107 0.000 1.011 429 M CB 0.727 33.312 32.600 -0.025 0.000 1.328 429 M HN 0.458 8.762 8.290 0.023 0.000 0.396 430 V N 3.927 123.379 119.914 -0.770 0.000 2.614 430 V HA 0.033 nan 4.120 nan 0.000 0.291 430 V C 0.185 175.708 176.094 -0.952 0.000 1.049 430 V CA -0.203 61.418 62.300 -1.131 0.000 1.038 430 V CB 0.077 30.704 31.823 -1.994 0.000 0.980 430 V HN 0.449 8.160 8.190 -0.798 0.000 0.481 431 H N 7.163 125.897 119.070 -0.560 0.000 2.787 431 H HA 0.168 nan 4.556 nan 0.000 0.275 431 H C -1.365 173.561 175.328 -0.670 0.000 1.183 431 H CA -1.757 53.992 56.048 -0.497 0.000 1.290 431 H CB -0.813 28.673 29.762 -0.461 0.000 1.438 431 H HN 0.970 8.586 8.280 -0.915 0.115 0.487 432 D N 3.557 123.722 120.400 -0.391 0.000 2.233 432 D HA 0.103 nan 4.640 nan 0.000 0.240 432 D C -0.437 175.772 176.300 -0.152 0.000 1.074 432 D CA -0.864 53.005 54.000 -0.218 0.000 0.838 432 D CB 0.926 41.757 40.800 0.053 0.000 1.124 432 D HN -0.315 7.889 8.370 -0.276 0.000 0.475 433 G N 4.601 113.294 108.800 -0.179 0.000 4.110 433 G HA2 0.250 nan 3.960 nan 0.000 0.292 433 G HA3 0.250 nan 3.960 nan 0.000 0.292 433 G C -1.258 173.576 174.900 -0.111 0.000 1.020 433 G CA -0.759 44.231 45.100 -0.183 0.000 0.808 433 G HN 0.327 8.527 8.290 -0.149 0.000 0.474 434 G N 0.263 109.035 108.800 -0.047 0.000 2.566 434 G HA2 -0.228 nan 3.960 nan 0.000 0.599 434 G HA3 -0.228 nan 3.960 nan 0.000 0.599 434 G C -0.910 173.954 174.900 -0.061 0.000 1.292 434 G CA -0.546 44.531 45.100 -0.039 0.000 0.922 434 G HN -0.574 8.022 8.290 0.000 -0.306 0.514 435 K N -0.451 119.918 120.400 -0.052 0.000 2.459 435 K HA 0.042 nan 4.320 nan 0.000 0.193 435 K C -0.429 176.157 176.600 -0.023 0.000 1.030 435 K CA 1.199 57.453 56.287 -0.055 0.000 1.026 435 K CB -0.068 32.407 32.500 -0.042 0.000 0.809 435 K HN 0.299 8.527 8.250 -0.036 0.000 0.504 436 D N -3.126 117.263 120.400 -0.017 0.000 2.339 436 D HA 0.097 nan 4.640 nan 0.000 0.217 436 D C 0.119 176.445 176.300 0.043 0.000 1.050 436 D CA 0.739 54.749 54.000 0.016 0.000 0.856 436 D CB 0.508 41.316 40.800 0.012 0.000 0.922 436 D HN 0.126 8.420 8.370 -0.030 0.058 0.518 437 T N -0.777 113.767 114.554 -0.017 0.000 2.716 437 T HA 0.293 nan 4.350 nan 0.000 0.286 437 T C -1.658 172.946 174.700 -0.159 0.000 1.052 437 T CA -1.862 60.204 62.100 -0.057 0.000 1.024 437 T CB 1.606 70.342 68.868 -0.219 0.000 1.349 437 T HN -0.777 7.374 8.240 -0.057 0.055 0.525 438 W N -0.809 120.192 121.300 -0.498 0.000 2.079 438 W HA 0.035 nan 4.660 nan 0.000 0.354 438 W C -1.799 174.591 176.519 -0.215 0.000 1.302 438 W CA -1.556 55.459 57.345 -0.550 0.000 1.281 438 W CB 0.564 29.390 29.460 -1.056 0.000 1.165 438 W HN 0.117 8.004 8.180 -0.489 0.000 0.603 439 H N 0.497 119.547 119.070 -0.033 0.000 3.013 439 H HA 0.220 nan 4.556 nan 0.000 0.326 439 H C -2.101 173.255 175.328 0.047 0.000 0.973 439 H CA -0.251 55.717 56.048 -0.134 0.000 1.369 439 H CB 2.086 31.769 29.762 -0.132 0.000 1.598 439 H HN -0.253 8.184 8.280 0.261 0.000 0.518 440 S N 4.181 119.822 115.700 -0.100 0.000 2.819 440 S HA 0.604 nan 4.470 nan 0.000 0.299 440 S C -2.914 171.599 174.600 -0.145 0.000 1.192 440 S CA -1.882 56.336 58.200 0.030 0.000 0.847 440 S CB 2.282 65.574 63.200 0.153 0.000 1.224 440 S HN -0.419 7.721 8.310 -0.284 0.000 0.537 441 A N -2.046 120.786 122.820 0.020 0.000 2.572 441 A HA 0.735 nan 4.320 nan 0.000 0.295 441 A C -2.224 175.402 177.584 0.070 0.000 1.072 441 A CA -0.945 50.988 52.037 -0.173 0.000 0.691 441 A CB 3.473 22.362 19.000 -0.185 0.000 1.291 441 A HN 0.223 8.506 8.150 0.221 0.000 0.404 442 A N -0.006 122.804 122.820 -0.016 0.000 2.269 442 A HA 0.734 nan 4.320 nan 0.000 0.319 442 A C -1.332 176.337 177.584 0.142 0.000 1.110 442 A CA -1.908 50.212 52.037 0.139 0.000 0.847 442 A CB 2.380 21.473 19.000 0.154 0.000 1.161 442 A HN 0.680 8.560 8.150 -0.268 0.110 0.497 443 T N 0.721 115.389 114.554 0.190 0.000 2.890 443 T HA 0.588 nan 4.350 nan 0.000 0.295 443 T C -1.994 172.797 174.700 0.153 0.000 0.993 443 T CA -0.207 62.021 62.100 0.213 0.000 0.979 443 T CB 1.291 70.306 68.868 0.245 0.000 0.967 443 T HN 0.225 8.576 8.240 0.186 0.000 0.441 444 A N 7.098 130.014 122.820 0.160 0.000 2.312 444 A HA 1.084 nan 4.320 nan 0.000 0.326 444 A C -2.330 175.355 177.584 0.167 0.000 1.172 444 A CA -2.212 49.915 52.037 0.151 0.000 0.821 444 A CB 1.967 21.091 19.000 0.207 0.000 1.166 444 A HN 1.031 9.287 8.150 0.176 0.000 0.493 445 I N 0.822 121.455 120.570 0.105 0.000 2.465 445 I HA 0.698 nan 4.170 nan 0.000 0.291 445 I C -1.919 174.176 176.117 -0.036 0.000 1.014 445 I CA -2.503 58.873 61.300 0.125 0.000 1.093 445 I CB 2.044 40.138 38.000 0.157 0.000 1.267 445 I HN 0.678 8.904 8.210 0.026 0.000 0.431 446 Y N 5.236 125.552 120.300 0.027 0.000 2.361 446 Y HA 0.464 nan 4.550 nan 0.000 0.337 446 Y C -1.772 174.030 175.900 -0.162 0.000 0.965 446 Y CA -1.044 57.070 58.100 0.024 0.000 1.091 446 Y CB 3.388 41.946 38.460 0.164 0.000 1.182 446 Y HN 0.764 9.200 8.280 0.259 0.000 0.450 447 c N 2.170 120.588 118.600 -0.304 0.000 2.779 447 c HA 0.810 nan 4.570 nan 0.000 0.314 447 c C -1.416 172.004 174.090 -1.117 0.000 1.231 447 c CA -1.701 54.159 56.329 -0.782 0.000 1.652 447 c CB 4.371 46.594 42.510 -0.479 0.000 2.198 447 c HN 0.466 8.561 8.230 -0.226 0.000 0.483 448 L N 2.274 122.565 121.223 -1.553 0.000 2.500 448 L HA 0.221 nan 4.340 nan 0.000 0.272 448 L C -1.539 175.065 176.870 -0.444 0.000 1.149 448 L CA 1.255 55.482 54.840 -1.021 0.000 0.897 448 L CB 0.420 42.029 42.059 -0.749 0.000 1.178 448 L HN 0.106 7.381 8.230 -1.591 0.000 0.473 449 M N 3.586 123.038 119.600 -0.246 0.000 2.274 449 M HA 0.216 nan 4.480 nan 0.000 0.272 449 M C -0.665 175.604 176.300 -0.051 0.000 1.053 449 M CA -0.443 54.777 55.300 -0.134 0.000 0.978 449 M CB 2.422 34.941 32.600 -0.135 0.000 1.836 449 M HN 0.760 8.818 8.290 -0.198 0.114 0.484 450 G N 2.823 111.606 108.800 -0.028 0.000 2.645 450 G HA2 -0.435 nan 3.960 nan 0.000 0.246 450 G HA3 -0.435 nan 3.960 nan 0.000 0.246 450 G C -1.958 172.962 174.900 0.034 0.000 1.322 450 G CA 0.240 45.341 45.100 0.002 0.000 0.898 450 G HN 0.514 8.780 8.290 -0.039 0.000 0.573 451 S N -0.530 115.195 115.700 0.042 0.000 2.823 451 S HA 0.886 nan 4.470 nan 0.000 0.316 451 S C -0.373 174.268 174.600 0.067 0.000 1.116 451 S CA -1.314 56.927 58.200 0.068 0.000 0.911 451 S CB 2.619 65.852 63.200 0.055 0.000 1.276 451 S HN 0.141 8.468 8.310 0.028 0.000 0.565 452 G N 0.038 108.884 108.800 0.077 0.000 2.445 452 G HA2 -0.231 nan 3.960 nan 0.000 0.212 452 G HA3 -0.231 nan 3.960 nan 0.000 0.212 452 G C -1.773 173.182 174.900 0.093 0.000 1.217 452 G CA -0.267 44.874 45.100 0.068 0.000 1.002 452 G HN -0.228 8.112 8.290 0.084 0.000 0.574 453 Q N 1.088 120.938 119.800 0.083 0.000 2.387 453 Q HA 0.341 nan 4.340 nan 0.000 0.273 453 Q C -1.154 174.909 176.000 0.105 0.000 1.089 453 Q CA -1.045 54.815 55.803 0.095 0.000 0.824 453 Q CB 2.728 31.507 28.738 0.068 0.000 1.367 453 Q HN -0.026 8.283 8.270 0.065 0.000 0.443 454 L N 3.120 124.418 121.223 0.125 0.000 2.500 454 L HA -0.113 nan 4.340 nan 0.000 0.272 454 L C -0.691 176.269 176.870 0.150 0.000 1.149 454 L CA 0.954 55.888 54.840 0.156 0.000 0.897 454 L CB 0.446 42.594 42.059 0.149 0.000 1.178 454 L HN 0.493 8.796 8.230 0.121 0.000 0.473 455 L N 7.269 128.592 121.223 0.167 0.000 2.127 455 L HA 0.001 nan 4.340 nan 0.000 0.203 455 L C 0.257 177.313 176.870 0.309 0.000 1.080 455 L CA 1.260 56.192 54.840 0.153 0.000 0.768 455 L CB -0.039 42.048 42.059 0.046 0.000 0.924 455 L HN 0.175 8.509 8.230 0.173 0.000 0.444 456 W N -2.030 119.342 121.300 0.120 0.000 3.032 456 W HA 0.145 nan 4.660 nan 0.000 0.335 456 W C -1.574 175.068 176.519 0.206 0.000 1.154 456 W CA -2.116 55.302 57.345 0.121 0.000 1.204 456 W CB 2.677 32.185 29.460 0.080 0.000 1.416 456 W HN -0.586 7.846 8.180 0.420 0.000 0.521 457 D N -0.510 119.977 120.400 0.146 0.000 2.432 457 D HA 0.335 nan 4.640 nan 0.000 0.258 457 D C -1.152 175.148 176.300 0.000 0.000 1.146 457 D CA -1.018 53.038 54.000 0.094 0.000 1.015 457 D CB 1.968 42.763 40.800 -0.009 0.000 1.107 457 D HN -0.146 8.202 8.370 -0.037 0.000 0.529 458 T N -0.805 113.792 114.554 0.071 0.000 2.829 458 T HA 0.415 nan 4.350 nan 0.000 0.280 458 T C -1.291 173.405 174.700 -0.008 0.000 0.999 458 T CA -0.317 61.803 62.100 0.033 0.000 0.983 458 T CB 1.607 70.570 68.868 0.159 0.000 0.968 458 T HN 0.159 8.462 8.240 0.104 0.000 0.446 459 V N -1.207 118.681 119.914 -0.044 0.000 2.914 459 V HA 0.709 nan 4.120 nan 0.000 0.314 459 V C -0.345 175.753 176.094 0.006 0.000 1.084 459 V CA -2.503 59.781 62.300 -0.025 0.000 0.963 459 V CB 2.632 34.414 31.823 -0.068 0.000 1.025 459 V HN 0.037 8.184 8.190 -0.072 0.000 0.432 460 T N -0.851 113.730 114.554 0.045 0.000 3.014 460 T HA 0.127 nan 4.350 nan 0.000 0.263 460 T C 1.454 176.170 174.700 0.026 0.000 1.078 460 T CA 0.635 62.786 62.100 0.085 0.000 1.135 460 T CB 0.696 69.706 68.868 0.236 0.000 0.895 460 T HN 0.163 8.677 8.240 0.051 -0.243 0.480 461 G N 2.339 111.138 108.800 -0.001 0.000 2.168 461 G HA2 -0.238 nan 3.960 nan 0.000 0.263 461 G HA3 -0.238 nan 3.960 nan 0.000 0.263 461 G C -0.793 174.074 174.900 -0.054 0.000 0.977 461 G CA 0.449 45.527 45.100 -0.036 0.000 0.659 461 G HN 0.047 8.342 8.290 0.007 0.000 0.533 462 V N 0.265 120.152 119.914 -0.045 0.000 2.465 462 V HA 0.092 nan 4.120 nan 0.000 0.279 462 V C -0.542 175.518 176.094 -0.057 0.000 1.045 462 V CA -0.142 62.104 62.300 -0.091 0.000 0.938 462 V CB 0.308 31.986 31.823 -0.242 0.000 0.986 462 V HN -0.718 7.416 8.190 -0.001 0.055 0.467 463 D N 5.799 126.178 120.400 -0.034 0.000 2.427 463 D HA 0.158 nan 4.640 nan 0.000 0.226 463 D C 0.556 176.870 176.300 0.024 0.000 1.076 463 D CA -1.244 52.749 54.000 -0.011 0.000 0.849 463 D CB 1.084 41.882 40.800 -0.004 0.000 1.052 463 D HN 0.203 8.550 8.370 -0.037 0.000 0.515 464 M N 4.402 123.999 119.600 -0.004 0.000 2.446 464 M HA -0.298 nan 4.480 nan 0.000 0.263 464 M C 0.587 176.944 176.300 0.093 0.000 1.066 464 M CA 2.140 57.455 55.300 0.025 0.000 1.087 464 M CB -0.065 32.386 32.600 -0.249 0.000 1.406 464 M HN 0.577 8.840 8.290 -0.046 0.000 0.459 465 A N -2.158 120.693 122.820 0.053 0.000 2.251 465 A HA 0.039 nan 4.320 nan 0.000 0.209 465 A C -0.230 177.403 177.584 0.081 0.000 1.187 465 A CA 0.269 52.343 52.037 0.061 0.000 0.823 465 A CB -0.007 19.009 19.000 0.028 0.000 0.846 465 A HN -0.390 8.027 8.150 0.025 -0.252 0.486 466 L N 0.000 121.277 121.223 0.090 0.000 2.949 466 L HA 0.000 nan 4.340 nan 0.000 0.249 466 L CA 0.000 54.880 54.840 0.067 0.000 0.813 466 L CB 0.000 42.081 42.059 0.037 0.000 0.961 466 L HN 0.000 8.226 8.230 0.104 0.066 0.502