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 1ive_1_A DATA FIRST_RESID 82 DATA SEQUENCE VEYRNWSKPQ cQITGFAPFS KDNSIRLSAG GDIWVTREPY VScDPVKcYQ DATA SEQUENCE FALGQGTTLD NKHSNDTVHD RIPHRTLLMN ELGVPFHLGT RQVcIAWSSS DATA SEQUENCE ScHDGKAWLH VcITGDDKNA TASFIYDGRL VDSIGSWSQN ILRTQESEcV DATA SEQUENCE cINGTcTVVM TDGSASGRAD TRILFIEEGK IVHISPLAGS AQHVEEcScY DATA SEQUENCE PRYPGVRcIc RDNWKGSNRP VVDINMEDYS IDSSYVcSGL VGDTPRNDDR DATA SEQUENCE SSNSNcRDPN NERGTQGVKG WAFDNGNDLW MGRTISKDLR SGYETFKVIG DATA SEQUENCE GWSTPNSKSQ INRQVIVDSD NRSGYSGIFS VEGKScINRc FYVELIRGRK DATA SEQUENCE QETRVWWTSN SIVVFcGTSG TYGTGSWPDG ANINFMPI 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 82 V HA 0.000 nan 4.120 nan 0.000 0.244 82 V C 0.000 176.018 176.094 -0.127 0.000 1.182 82 V CA 0.000 62.242 62.300 -0.096 0.000 1.235 82 V CB 0.000 31.756 31.823 -0.111 0.000 1.184 83 E N 0.148 120.287 120.200 -0.102 0.000 2.285 83 E HA 0.333 nan 4.350 nan 0.000 0.254 83 E C -1.833 174.726 176.600 -0.069 0.000 1.011 83 E CA -0.914 55.433 56.400 -0.089 0.000 0.873 83 E CB 1.352 31.043 29.700 -0.015 0.000 1.229 83 E HN 0.082 8.396 8.360 -0.076 0.000 0.422 84 Y N -1.596 118.700 120.300 -0.008 0.000 2.316 84 Y HA -0.032 nan 4.550 nan 0.000 0.324 84 Y C 0.470 176.342 175.900 -0.047 0.000 1.267 84 Y CA 0.017 58.112 58.100 -0.009 0.000 1.311 84 Y CB 1.418 39.890 38.460 0.019 0.000 1.267 84 Y HN -0.098 8.315 8.280 0.221 0.000 0.516 85 R N 2.218 122.784 120.500 0.109 0.000 2.446 85 R HA -0.203 nan 4.340 nan 0.000 0.325 85 R C 0.379 176.679 176.300 -0.000 0.000 0.997 85 R CA 1.188 57.217 56.100 -0.118 0.000 1.010 85 R CB -0.309 29.831 30.300 -0.268 0.000 0.946 85 R HN 0.107 8.490 8.270 0.188 0.000 0.422 86 N N 2.543 121.242 118.700 -0.002 0.000 2.220 86 N HA -0.035 nan 4.740 nan 0.000 0.195 86 N C -0.931 174.760 175.510 0.301 0.000 1.123 86 N CA -1.354 51.800 53.050 0.173 0.000 0.874 86 N CB 0.251 38.808 38.487 0.116 0.000 0.995 86 N HN 0.145 8.475 8.380 -0.082 0.000 0.498 87 W N -5.197 116.102 121.300 -0.001 0.000 6.105 87 W HA -0.275 nan 4.660 nan 0.000 0.377 87 W C -0.055 176.324 176.519 -0.233 0.000 1.366 87 W CA -0.072 57.252 57.345 -0.035 0.000 1.011 87 W CB -2.225 27.283 29.460 0.080 0.000 2.481 87 W HN -0.401 7.651 8.180 -0.124 0.053 1.597 88 S N 0.010 115.495 115.700 -0.358 0.000 4.120 88 S HA 0.120 nan 4.470 nan 0.000 0.196 88 S C -0.786 173.657 174.600 -0.262 0.000 1.447 88 S CA 0.330 58.088 58.200 -0.736 0.000 0.939 88 S CB -0.676 61.885 63.200 -1.064 0.000 1.496 88 S HN -0.044 8.424 8.310 -0.282 -0.327 0.460 89 K N 3.081 123.431 120.400 -0.083 0.000 2.426 89 K HA 0.389 nan 4.320 nan 0.000 0.251 89 K C -2.673 173.944 176.600 0.029 0.000 0.941 89 K CA -2.873 53.404 56.287 -0.016 0.000 0.808 89 K CB 1.330 33.838 32.500 0.014 0.000 1.265 89 K HN -0.662 7.510 8.250 -0.015 0.069 0.432 90 P HA -0.143 nan 4.420 nan 0.000 0.266 90 P C -1.059 176.263 177.300 0.036 0.000 1.186 90 P CA -0.291 62.834 63.100 0.041 0.000 0.767 90 P CB 0.665 32.385 31.700 0.032 0.000 0.820 91 Q N 0.878 120.700 119.800 0.036 0.000 2.337 91 Q HA -0.054 nan 4.340 nan 0.000 0.270 91 Q C -0.089 175.918 176.000 0.011 0.000 1.002 91 Q CA 0.408 56.216 55.803 0.009 0.000 0.888 91 Q CB 0.867 29.620 28.738 0.025 0.000 1.222 91 Q HN 0.209 8.510 8.270 0.052 0.000 0.400 92 c N 6.466 125.054 118.600 -0.019 0.000 2.629 92 c HA -0.192 nan 4.570 nan 0.000 0.410 92 c C 0.128 174.217 174.090 -0.001 0.000 1.339 92 c CA 0.559 56.877 56.329 -0.018 0.000 1.810 92 c CB -1.739 40.740 42.510 -0.052 0.000 2.549 92 c HN 0.114 8.316 8.230 -0.047 0.000 0.589 93 Q N 4.295 124.108 119.800 0.022 0.000 2.315 93 Q HA -0.076 nan 4.340 nan 0.000 0.289 93 Q C -1.136 174.859 176.000 -0.010 0.000 1.044 93 Q CA 1.105 56.935 55.803 0.044 0.000 0.920 93 Q CB 0.767 29.540 28.738 0.058 0.000 1.214 93 Q HN 0.294 8.578 8.270 0.023 0.000 0.392 94 I N -1.363 119.188 120.570 -0.030 0.000 2.994 94 I HA 0.373 nan 4.170 nan 0.000 0.306 94 I C -1.273 174.765 176.117 -0.132 0.000 1.195 94 I CA -1.290 59.889 61.300 -0.200 0.000 1.001 94 I CB 3.096 40.796 38.000 -0.500 0.000 1.244 94 I HN -0.333 7.916 8.210 0.065 0.000 0.437 95 T N 2.158 116.615 114.554 -0.161 0.000 2.975 95 T HA 0.368 nan 4.350 nan 0.000 0.257 95 T C -0.494 174.307 174.700 0.168 0.000 1.003 95 T CA 0.150 62.331 62.100 0.135 0.000 0.932 95 T CB 1.453 70.423 68.868 0.171 0.000 1.087 95 T HN 0.761 8.851 8.240 -0.249 0.000 0.512 96 G N 0.553 109.050 108.800 -0.505 0.000 2.373 96 G HA2 -0.027 nan 3.960 nan 0.000 0.250 96 G HA3 -0.027 nan 3.960 nan 0.000 0.250 96 G C -3.027 171.172 174.900 -1.169 0.000 1.304 96 G CA 0.714 45.374 45.100 -0.733 0.000 0.948 96 G HN -0.785 6.951 8.290 -0.813 0.066 0.474 97 F N -0.244 119.502 119.950 -0.341 0.000 2.574 97 F HA 0.507 nan 4.527 nan 0.000 0.313 97 F C -1.108 174.673 175.800 -0.032 0.000 1.130 97 F CA -1.698 56.233 58.000 -0.115 0.000 0.936 97 F CB 3.541 42.606 39.000 0.108 0.000 1.219 97 F HN -0.620 7.421 8.300 -0.716 -0.171 0.445 98 A N 3.486 126.386 122.820 0.133 0.000 2.312 98 A HA 0.635 nan 4.320 nan 0.000 0.328 98 A C -3.040 174.344 177.584 -0.332 0.000 1.158 98 A CA -3.024 49.015 52.037 0.002 0.000 0.821 98 A CB 0.579 19.554 19.000 -0.042 0.000 1.170 98 A HN 0.938 9.142 8.150 0.090 0.000 0.490 99 P HA 0.101 nan 4.420 nan 0.000 0.268 99 P C -1.600 175.354 177.300 -0.576 0.000 1.208 99 P CA 0.900 63.128 63.100 -1.454 0.000 0.777 99 P CB 0.452 31.413 31.700 -1.232 0.000 0.875 100 F N 2.267 121.791 119.950 -0.709 0.000 2.570 100 F HA 0.285 nan 4.527 nan 0.000 0.290 100 F C -0.565 175.067 175.800 -0.280 0.000 0.910 100 F CA -0.531 57.249 58.000 -0.367 0.000 1.119 100 F CB 2.671 41.522 39.000 -0.248 0.000 0.922 100 F HN 0.672 8.554 8.300 -0.697 0.000 0.703 101 S N -2.872 112.685 115.700 -0.238 0.000 2.611 101 S HA 0.169 nan 4.470 nan 0.000 0.268 101 S C -2.668 171.817 174.600 -0.191 0.000 1.156 101 S CA 0.330 58.365 58.200 -0.276 0.000 0.817 101 S CB 1.389 64.388 63.200 -0.334 0.000 1.122 101 S HN -0.464 7.694 8.310 -0.254 0.000 0.466 102 K N 0.983 121.293 120.400 -0.150 0.000 2.636 102 K HA 0.159 nan 4.320 nan 0.000 0.268 102 K C -2.233 174.320 176.600 -0.077 0.000 0.958 102 K CA 0.301 56.544 56.287 -0.074 0.000 0.875 102 K CB 1.853 34.328 32.500 -0.041 0.000 1.382 102 K HN -0.147 7.997 8.250 -0.177 0.000 0.405 103 D N 2.866 123.235 120.400 -0.053 0.000 2.479 103 D HA 0.103 nan 4.640 nan 0.000 0.216 103 D C 0.561 176.838 176.300 -0.038 0.000 1.110 103 D CA -0.227 53.724 54.000 -0.081 0.000 0.841 103 D CB 0.532 41.247 40.800 -0.142 0.000 1.040 103 D HN 0.089 8.447 8.370 -0.020 0.000 0.505 104 N N -2.112 116.593 118.700 0.008 0.000 2.713 104 N HA -0.466 nan 4.740 nan 0.000 0.251 104 N C 1.030 176.560 175.510 0.033 0.000 1.117 104 N CA 1.406 54.477 53.050 0.034 0.000 0.770 104 N CB -1.081 37.422 38.487 0.028 0.000 1.137 104 N HN 0.181 8.573 8.380 0.021 0.000 0.566 105 S N 0.204 115.920 115.700 0.026 0.000 2.389 105 S HA -0.458 nan 4.470 nan 0.000 0.231 105 S C 1.106 175.729 174.600 0.038 0.000 1.052 105 S CA 3.830 62.051 58.200 0.035 0.000 1.053 105 S CB -0.002 63.234 63.200 0.060 0.000 0.886 105 S HN -0.272 8.243 8.310 0.012 -0.198 0.456 106 I N -1.039 119.564 120.570 0.056 0.000 2.286 106 I HA -0.257 nan 4.170 nan 0.000 0.245 106 I C 2.427 178.574 176.117 0.050 0.000 1.104 106 I CA 1.609 62.936 61.300 0.045 0.000 1.397 106 I CB -1.238 36.828 38.000 0.109 0.000 1.072 106 I HN 0.019 8.274 8.210 0.075 0.000 0.417 107 R N -0.036 120.509 120.500 0.074 0.000 2.083 107 R HA -0.273 nan 4.340 nan 0.000 0.237 107 R C 2.903 179.234 176.300 0.053 0.000 1.137 107 R CA 3.236 59.386 56.100 0.084 0.000 0.951 107 R CB -0.239 30.113 30.300 0.088 0.000 0.851 107 R HN -0.619 7.697 8.270 0.077 0.000 0.434 108 L N -2.008 119.233 121.223 0.030 0.000 2.127 108 L HA -0.298 nan 4.340 nan 0.000 0.211 108 L C 1.770 178.637 176.870 -0.004 0.000 1.089 108 L CA 2.542 57.388 54.840 0.011 0.000 0.757 108 L CB -0.362 41.702 42.059 0.007 0.000 0.899 108 L HN -0.389 7.861 8.230 0.034 0.000 0.434 109 S N -1.420 114.267 115.700 -0.021 0.000 2.555 109 S HA -0.168 nan 4.470 nan 0.000 0.230 109 S C 0.679 175.245 174.600 -0.056 0.000 0.978 109 S CA 2.527 60.688 58.200 -0.064 0.000 0.934 109 S CB -0.555 62.559 63.200 -0.143 0.000 0.766 109 S HN -0.576 7.583 8.310 -0.013 0.143 0.533 110 A N 0.172 122.987 122.820 -0.010 0.000 2.123 110 A HA 0.106 nan 4.320 nan 0.000 0.214 110 A C 0.140 177.722 177.584 -0.002 0.000 1.152 110 A CA 0.943 52.992 52.037 0.020 0.000 0.728 110 A CB 0.194 19.241 19.000 0.077 0.000 0.814 110 A HN -0.532 7.442 8.150 0.006 0.180 0.464 111 G N -2.186 106.606 108.800 -0.013 0.000 4.079 111 G HA2 0.127 nan 3.960 nan 0.000 0.271 111 G HA3 0.127 nan 3.960 nan 0.000 0.271 111 G C -1.973 172.912 174.900 -0.025 0.000 1.144 111 G CA 0.382 45.468 45.100 -0.023 0.000 0.700 111 G HN -0.572 7.695 8.290 -0.009 0.018 0.500 112 G N -0.741 108.041 108.800 -0.030 0.000 2.547 112 G HA2 -0.062 nan 3.960 nan 0.000 0.291 112 G HA3 -0.062 nan 3.960 nan 0.000 0.291 112 G C -2.846 172.033 174.900 -0.036 0.000 1.471 112 G CA 0.475 45.559 45.100 -0.026 0.000 0.798 112 G HN -0.560 7.708 8.290 -0.037 0.000 0.504 113 D N 1.608 121.993 120.400 -0.025 0.000 2.505 113 D HA 0.279 nan 4.640 nan 0.000 0.242 113 D C -1.491 174.786 176.300 -0.038 0.000 1.136 113 D CA -0.533 53.435 54.000 -0.052 0.000 0.954 113 D CB -0.195 40.574 40.800 -0.053 0.000 1.002 113 D HN 0.091 8.457 8.370 -0.006 0.000 0.512 114 I N 0.493 121.035 120.570 -0.047 0.000 2.433 114 I HA 0.356 nan 4.170 nan 0.000 0.292 114 I C -0.759 175.381 176.117 0.038 0.000 1.001 114 I CA -2.258 59.068 61.300 0.043 0.000 1.119 114 I CB 2.130 40.161 38.000 0.051 0.000 1.289 114 I HN -0.545 7.617 8.210 -0.080 0.000 0.438 115 W N 6.358 127.672 121.300 0.023 0.000 2.257 115 W HA -0.239 nan 4.660 nan 0.000 0.337 115 W C -0.208 176.307 176.519 -0.008 0.000 1.321 115 W CA 1.530 58.877 57.345 0.004 0.000 1.267 115 W CB -0.063 29.400 29.460 0.005 0.000 1.187 115 W HN 0.097 8.573 8.180 0.494 0.000 0.565 116 V N 5.324 125.392 119.914 0.257 0.000 2.455 116 V HA 0.155 nan 4.120 nan 0.000 0.273 116 V C -0.382 175.841 176.094 0.216 0.000 1.045 116 V CA 0.282 62.691 62.300 0.183 0.000 0.976 116 V CB -1.125 30.781 31.823 0.139 0.000 0.993 116 V HN 0.121 8.325 8.190 0.216 0.115 0.475 117 T N 4.427 119.071 114.554 0.150 0.000 2.669 117 T HA 0.779 nan 4.350 nan 0.000 0.283 117 T C -1.006 173.742 174.700 0.081 0.000 1.019 117 T CA -1.896 60.251 62.100 0.078 0.000 1.039 117 T CB 3.290 72.163 68.868 0.009 0.000 1.374 117 T HN -0.033 8.297 8.240 0.150 0.000 0.523 118 R N -1.788 118.736 120.500 0.040 0.000 2.888 118 R HA 0.114 nan 4.340 nan 0.000 0.277 118 R C -1.631 174.676 176.300 0.011 0.000 0.981 118 R CA 0.026 56.143 56.100 0.028 0.000 0.841 118 R CB 3.330 33.630 30.300 -0.000 0.000 1.405 118 R HN 0.111 8.387 8.270 0.010 0.000 0.472 119 E N -2.049 118.126 120.200 -0.041 0.000 2.272 119 E HA -0.298 nan 4.350 nan 0.000 0.160 119 E C -2.067 174.646 176.600 0.189 0.000 1.627 119 E CA 0.590 57.018 56.400 0.047 0.000 0.641 119 E CB -2.009 27.731 29.700 0.066 0.000 1.060 119 E HN -0.197 8.205 8.360 -0.147 -0.130 0.324 120 P HA 0.296 nan 4.420 nan 0.000 0.276 120 P C -1.826 175.548 177.300 0.124 0.000 1.261 120 P CA -0.641 62.544 63.100 0.142 0.000 0.800 120 P CB 0.744 32.518 31.700 0.124 0.000 1.066 121 Y N -7.325 112.778 120.300 -0.329 0.000 2.725 121 Y HA 0.286 nan 4.550 nan 0.000 0.333 121 Y C -2.798 172.844 175.900 -0.430 0.000 1.242 121 Y CA -1.835 55.773 58.100 -0.821 0.000 1.059 121 Y CB 1.671 39.933 38.460 -0.331 0.000 1.306 121 Y HN 0.183 8.367 8.280 -0.161 0.000 0.454 122 V N -3.107 116.647 119.914 -0.268 0.000 2.841 122 V HA 0.732 nan 4.120 nan 0.000 0.310 122 V C -2.568 173.471 176.094 -0.092 0.000 1.090 122 V CA -2.252 59.960 62.300 -0.146 0.000 0.930 122 V CB 2.545 34.132 31.823 -0.394 0.000 1.014 122 V HN 0.165 8.143 8.190 -0.354 0.000 0.425 123 S N 4.378 120.212 115.700 0.222 0.000 2.588 123 S HA 0.693 nan 4.470 nan 0.000 0.275 123 S C -1.769 173.145 174.600 0.523 0.000 1.130 123 S CA -1.668 56.756 58.200 0.374 0.000 0.855 123 S CB 3.561 67.087 63.200 0.542 0.000 1.116 123 S HN -0.156 8.406 8.310 0.419 0.000 0.472 124 c N 2.420 121.281 118.600 0.435 0.000 2.431 124 c HA 0.812 nan 4.570 nan 0.000 0.321 124 c C -0.585 173.600 174.090 0.157 0.000 1.202 124 c CA -1.422 55.134 56.329 0.377 0.000 1.398 124 c CB 2.327 44.999 42.510 0.269 0.000 2.047 124 c HN 0.485 8.946 8.230 0.385 0.000 0.465 125 D N 4.435 124.914 120.400 0.131 0.000 2.363 125 D HA 0.070 nan 4.640 nan 0.000 0.240 125 D C -0.816 175.333 176.300 -0.252 0.000 1.236 125 D CA -1.105 52.645 54.000 -0.418 0.000 0.927 125 D CB -0.109 40.500 40.800 -0.320 0.000 1.150 125 D HN -0.117 8.604 8.370 0.585 0.000 0.458 126 P HA -0.151 nan 4.420 nan 0.000 0.236 126 P C -1.149 176.082 177.300 -0.115 0.000 1.172 126 P CA 1.223 64.191 63.100 -0.220 0.000 0.759 126 P CB -0.313 31.249 31.700 -0.230 0.000 0.843 127 V N -7.307 112.565 119.914 -0.070 0.000 3.431 127 V HA 0.248 nan 4.120 nan 0.000 0.255 127 V C -1.469 174.625 176.094 -0.001 0.000 1.403 127 V CA 0.008 62.293 62.300 -0.025 0.000 1.101 127 V CB 1.816 33.629 31.823 -0.017 0.000 0.891 127 V HN 0.191 8.439 8.190 -0.073 -0.102 0.446 128 K N -4.090 116.326 120.400 0.026 0.000 2.533 128 K HA 0.207 nan 4.320 nan 0.000 0.284 128 K C -2.269 174.318 176.600 -0.022 0.000 1.025 128 K CA -1.257 55.009 56.287 -0.034 0.000 0.900 128 K CB 3.557 35.968 32.500 -0.149 0.000 1.519 128 K HN -0.945 7.681 8.250 0.064 -0.337 0.432 129 c N -1.120 117.364 118.600 -0.192 0.000 2.435 129 c HA 0.878 nan 4.570 nan 0.000 0.333 129 c C -0.671 173.101 174.090 -0.530 0.000 1.202 129 c CA -0.857 55.391 56.329 -0.135 0.000 1.830 129 c CB 1.534 44.009 42.510 -0.058 0.000 2.326 129 c HN 0.376 8.462 8.230 -0.241 0.000 0.507 130 Y N -0.168 120.119 120.300 -0.021 0.000 2.524 130 Y HA 0.492 nan 4.550 nan 0.000 0.344 130 Y C -1.707 174.023 175.900 -0.284 0.000 1.012 130 Y CA -1.733 56.219 58.100 -0.247 0.000 1.068 130 Y CB 3.473 41.642 38.460 -0.485 0.000 1.249 130 Y HN 1.100 9.564 8.280 0.306 0.000 0.468 131 Q N -1.316 118.327 119.800 -0.262 0.000 2.245 131 Q HA 0.766 nan 4.340 nan 0.000 0.256 131 Q C -1.124 174.732 176.000 -0.240 0.000 0.942 131 Q CA -1.681 54.023 55.803 -0.165 0.000 0.896 131 Q CB 2.443 31.086 28.738 -0.158 0.000 1.272 131 Q HN 0.561 8.652 8.270 -0.297 0.000 0.442 132 F N 1.385 121.159 119.950 -0.293 0.000 2.546 132 F HA 0.728 nan 4.527 nan 0.000 0.320 132 F C -1.505 174.025 175.800 -0.450 0.000 1.076 132 F CA -1.823 55.860 58.000 -0.528 0.000 0.928 132 F CB 4.099 42.393 39.000 -1.178 0.000 1.189 132 F HN 0.660 8.983 8.300 0.039 0.000 0.465 133 A N -0.409 122.203 122.820 -0.347 0.000 2.612 133 A HA 0.659 nan 4.320 nan 0.000 0.293 133 A C -2.525 174.877 177.584 -0.305 0.000 1.075 133 A CA -0.439 51.427 52.037 -0.286 0.000 0.680 133 A CB 3.508 22.318 19.000 -0.317 0.000 1.279 133 A HN 0.257 8.125 8.150 -0.471 0.000 0.411 134 L N 0.313 121.453 121.223 -0.138 0.000 2.295 134 L HA 0.448 nan 4.340 nan 0.000 0.288 134 L C 0.521 177.315 176.870 -0.127 0.000 1.079 134 L CA -2.108 52.668 54.840 -0.106 0.000 0.830 134 L CB -1.171 40.900 42.059 0.020 0.000 1.200 134 L HN -0.110 8.090 8.230 -0.051 0.000 0.438 135 G N 3.075 111.743 108.800 -0.220 0.000 2.606 135 G HA2 0.123 nan 3.960 nan 0.000 0.252 135 G HA3 0.123 nan 3.960 nan 0.000 0.252 135 G C -0.602 174.367 174.900 0.115 0.000 1.206 135 G CA -0.319 44.729 45.100 -0.086 0.000 0.861 135 G HN 0.507 8.610 8.290 -0.311 0.000 0.561 136 Q N 0.578 120.526 119.800 0.248 0.000 2.268 136 Q HA -0.002 nan 4.340 nan 0.000 0.289 136 Q C 0.466 176.636 176.000 0.284 0.000 0.893 136 Q CA -1.157 54.786 55.803 0.233 0.000 1.057 136 Q CB -0.450 28.409 28.738 0.201 0.000 1.173 136 Q HN 0.384 8.758 8.270 0.322 0.089 0.449 137 G N -0.220 108.810 108.800 0.384 0.000 2.269 137 G HA2 -0.464 nan 3.960 nan 0.000 0.277 137 G HA3 -0.464 nan 3.960 nan 0.000 0.277 137 G C -1.458 173.510 174.900 0.115 0.000 1.008 137 G CA 0.989 46.294 45.100 0.342 0.000 0.774 137 G HN 0.146 8.588 8.290 0.373 0.071 0.511 138 T N -2.140 112.456 114.554 0.071 0.000 2.769 138 T HA 0.242 nan 4.350 nan 0.000 0.306 138 T C -1.667 172.865 174.700 -0.280 0.000 1.400 138 T CA -1.155 60.852 62.100 -0.155 0.000 1.007 138 T CB 2.161 71.047 68.868 0.030 0.000 1.392 138 T HN -0.479 7.922 8.240 0.323 0.032 0.500 139 T N -0.087 114.275 114.554 -0.321 0.000 2.948 139 T HA 0.623 nan 4.350 nan 0.000 0.285 139 T C -0.786 173.817 174.700 -0.162 0.000 1.019 139 T CA -1.502 60.425 62.100 -0.289 0.000 1.013 139 T CB 1.675 70.329 68.868 -0.356 0.000 1.117 139 T HN 0.020 8.252 8.240 -0.265 -0.151 0.533 140 L N -0.835 120.277 121.223 -0.186 0.000 2.131 140 L HA 0.059 nan 4.340 nan 0.000 0.206 140 L C 0.076 176.820 176.870 -0.210 0.000 1.087 140 L CA 2.515 57.194 54.840 -0.269 0.000 0.767 140 L CB 0.880 42.677 42.059 -0.437 0.000 0.917 140 L HN 0.222 8.344 8.230 -0.180 0.000 0.441 141 D N -1.675 118.634 120.400 -0.152 0.000 2.631 141 D HA 0.026 nan 4.640 nan 0.000 0.227 141 D C -1.376 174.878 176.300 -0.078 0.000 1.146 141 D CA 0.067 54.012 54.000 -0.092 0.000 1.009 141 D CB -1.386 39.368 40.800 -0.076 0.000 1.057 141 D HN -0.187 8.089 8.370 -0.157 0.000 0.509 142 N N 1.632 120.293 118.700 -0.065 0.000 2.905 142 N HA -0.002 nan 4.740 nan 0.000 0.255 142 N C -0.177 175.281 175.510 -0.086 0.000 1.199 142 N CA 0.223 53.227 53.050 -0.078 0.000 0.911 142 N CB 1.681 40.135 38.487 -0.054 0.000 1.550 142 N HN -0.789 7.533 8.380 -0.044 0.032 0.599 143 K N 3.467 123.765 120.400 -0.170 0.000 2.207 143 K HA -0.461 nan 4.320 nan 0.000 0.208 143 K C 1.443 177.920 176.600 -0.205 0.000 1.046 143 K CA 3.418 59.580 56.287 -0.207 0.000 0.929 143 K CB -0.046 32.284 32.500 -0.284 0.000 0.720 143 K HN 0.547 8.699 8.250 -0.163 0.000 0.463 144 H N -4.042 115.027 119.070 -0.002 0.000 2.560 144 H HA -0.125 nan 4.556 nan 0.000 0.283 144 H C 0.884 176.250 175.328 0.063 0.000 1.028 144 H CA 1.599 57.660 56.048 0.020 0.000 1.221 144 H CB -0.835 28.923 29.762 -0.006 0.000 1.363 144 H HN 0.180 8.126 8.280 -0.514 0.025 0.594 145 S N -2.950 112.835 115.700 0.142 0.000 2.528 145 S HA -0.114 nan 4.470 nan 0.000 0.219 145 S C -0.035 174.718 174.600 0.254 0.000 0.985 145 S CA -0.023 58.289 58.200 0.188 0.000 0.914 145 S CB 0.992 64.282 63.200 0.151 0.000 0.776 145 S HN 0.143 8.325 8.310 0.080 0.177 0.526 146 N N 2.869 121.691 118.700 0.203 0.000 2.357 146 N HA -0.317 nan 4.740 nan 0.000 0.257 146 N C -0.213 175.424 175.510 0.213 0.000 1.250 146 N CA 2.108 55.280 53.050 0.204 0.000 0.862 146 N CB -0.025 38.496 38.487 0.057 0.000 1.066 146 N HN -0.756 7.669 8.380 0.139 0.039 0.468 147 D N 1.524 122.065 120.400 0.234 0.000 2.870 147 D HA -0.361 nan 4.640 nan 0.000 0.228 147 D C 0.180 176.528 176.300 0.081 0.000 1.147 147 D CA 1.628 55.727 54.000 0.166 0.000 0.757 147 D CB -0.593 40.372 40.800 0.275 0.000 1.091 147 D HN 0.092 8.642 8.370 0.301 0.000 0.429 148 T N -7.055 107.565 114.554 0.110 0.000 3.219 148 T HA 0.091 nan 4.350 nan 0.000 0.249 148 T C 1.046 175.744 174.700 -0.004 0.000 1.099 148 T CA 0.536 62.696 62.100 0.100 0.000 0.988 148 T CB -0.378 68.599 68.868 0.182 0.000 0.999 148 T HN -0.174 8.171 8.240 0.175 0.000 0.550 149 V N -2.322 117.501 119.914 -0.152 0.000 2.380 149 V HA -0.269 nan 4.120 nan 0.000 0.251 149 V C 0.798 176.763 176.094 -0.215 0.000 1.063 149 V CA 1.842 64.016 62.300 -0.209 0.000 1.055 149 V CB -0.693 30.948 31.823 -0.302 0.000 0.657 149 V HN -0.144 7.917 8.190 -0.134 0.048 0.455 150 H N 0.660 119.752 119.070 0.037 0.000 3.034 150 H HA -0.038 nan 4.556 nan 0.000 0.324 150 H C -0.106 175.214 175.328 -0.014 0.000 1.015 150 H CA 0.901 56.950 56.048 0.002 0.000 1.429 150 H CB 0.183 29.946 29.762 0.001 0.000 1.429 150 H HN -0.654 7.184 8.280 -0.672 0.039 0.585 151 D N 2.157 122.582 120.400 0.042 0.000 2.162 151 D HA -0.059 nan 4.640 nan 0.000 0.203 151 D C -1.146 175.102 176.300 -0.086 0.000 0.967 151 D CA 2.613 56.597 54.000 -0.027 0.000 0.840 151 D CB 0.609 41.366 40.800 -0.072 0.000 0.972 151 D HN 0.202 8.600 8.370 0.046 0.000 0.482 152 R N -2.356 118.026 120.500 -0.196 0.000 2.388 152 R HA 0.233 nan 4.340 nan 0.000 0.314 152 R C -1.499 174.707 176.300 -0.156 0.000 0.959 152 R CA -0.658 55.195 56.100 -0.412 0.000 0.851 152 R CB 0.856 30.526 30.300 -1.050 0.000 1.168 152 R HN -0.314 7.874 8.270 -0.137 0.000 0.472 153 I N -1.317 119.276 120.570 0.038 0.000 3.191 153 I HA 0.636 nan 4.170 nan 0.000 0.313 153 I C -1.747 174.376 176.117 0.010 0.000 1.193 153 I CA -4.228 57.062 61.300 -0.017 0.000 0.968 153 I CB 2.165 40.111 38.000 -0.090 0.000 1.262 153 I HN -0.069 8.233 8.210 0.154 0.000 0.456 154 P HA 0.010 nan 4.420 nan 0.000 0.230 154 P C -0.893 176.351 177.300 -0.094 0.000 1.158 154 P CA 1.774 64.764 63.100 -0.183 0.000 0.769 154 P CB -0.105 31.470 31.700 -0.209 0.000 0.807 155 H N -6.261 112.864 119.070 0.091 0.000 2.575 155 H HA 0.142 nan 4.556 nan 0.000 0.267 155 H C -0.156 175.227 175.328 0.091 0.000 0.966 155 H CA -1.109 54.984 56.048 0.075 0.000 1.165 155 H CB -0.475 29.326 29.762 0.066 0.000 1.433 155 H HN 0.013 7.946 8.280 -0.433 0.087 0.544 156 R N -0.127 120.469 120.500 0.161 0.000 2.679 156 R HA -0.098 nan 4.340 nan 0.000 0.268 156 R C -0.357 175.962 176.300 0.032 0.000 1.044 156 R CA 0.643 56.814 56.100 0.118 0.000 1.105 156 R CB -0.095 30.304 30.300 0.165 0.000 0.989 156 R HN -0.812 7.542 8.270 0.141 0.000 0.447 157 T N -3.855 110.668 114.554 -0.050 0.000 2.932 157 T HA 0.336 nan 4.350 nan 0.000 0.318 157 T C -2.060 172.506 174.700 -0.223 0.000 1.265 157 T CA -0.862 61.157 62.100 -0.135 0.000 1.036 157 T CB 2.895 71.674 68.868 -0.149 0.000 1.209 157 T HN -0.117 8.085 8.240 -0.063 0.000 0.484 158 L N 3.787 124.877 121.223 -0.221 0.000 2.342 158 L HA 0.571 nan 4.340 nan 0.000 0.285 158 L C -1.526 175.117 176.870 -0.377 0.000 1.095 158 L CA -0.838 53.858 54.840 -0.240 0.000 0.843 158 L CB 0.427 42.401 42.059 -0.142 0.000 1.201 158 L HN 0.002 8.115 8.230 -0.195 0.000 0.445 159 L N 6.852 127.749 121.223 -0.544 0.000 2.418 159 L HA 0.469 nan 4.340 nan 0.000 0.265 159 L C -1.144 175.390 176.870 -0.560 0.000 1.143 159 L CA -0.352 54.064 54.840 -0.708 0.000 0.809 159 L CB 0.581 41.900 42.059 -1.234 0.000 1.124 159 L HN 0.776 8.676 8.230 -0.551 0.000 0.456 160 M N 1.952 121.270 119.600 -0.471 0.000 2.238 160 M HA 0.263 nan 4.480 nan 0.000 0.278 160 M C -2.689 173.443 176.300 -0.280 0.000 1.040 160 M CA -0.103 54.864 55.300 -0.554 0.000 0.969 160 M CB 3.015 35.151 32.600 -0.774 0.000 1.694 160 M HN -0.405 7.624 8.290 -0.435 0.000 0.472 161 N N 4.787 123.381 118.700 -0.178 0.000 2.509 161 N HA 0.382 nan 4.740 nan 0.000 0.280 161 N C -2.404 173.025 175.510 -0.134 0.000 1.306 161 N CA -0.990 51.984 53.050 -0.128 0.000 0.782 161 N CB 4.339 42.706 38.487 -0.199 0.000 1.493 161 N HN 0.063 8.306 8.380 -0.228 0.000 0.498 162 E N 0.518 120.618 120.200 -0.167 0.000 2.415 162 E HA -0.074 nan 4.350 nan 0.000 0.262 162 E C -0.423 175.951 176.600 -0.376 0.000 1.038 162 E CA 0.856 57.018 56.400 -0.397 0.000 0.921 162 E CB 0.738 30.242 29.700 -0.327 0.000 0.950 162 E HN 0.179 8.478 8.360 -0.102 0.000 0.438 163 L N 6.145 127.112 121.223 -0.427 0.000 2.698 163 L HA -0.349 nan 4.340 nan 0.000 0.272 163 L C -0.232 176.435 176.870 -0.338 0.000 1.154 163 L CA 1.264 55.888 54.840 -0.359 0.000 0.964 163 L CB -0.801 41.041 42.059 -0.360 0.000 1.272 163 L HN 0.318 8.140 8.230 -0.536 0.086 0.483 164 G N 4.861 113.472 108.800 -0.314 0.000 2.617 164 G HA2 -0.249 nan 3.960 nan 0.000 0.197 164 G HA3 -0.249 nan 3.960 nan 0.000 0.197 164 G C -1.007 173.750 174.900 -0.240 0.000 1.017 164 G CA -0.321 44.616 45.100 -0.271 0.000 0.713 164 G HN -0.343 7.744 8.290 -0.339 0.000 0.481 165 V N 2.822 122.591 119.914 -0.242 0.000 2.455 165 V HA 0.410 nan 4.120 nan 0.000 0.273 165 V C -2.510 173.421 176.094 -0.272 0.000 1.045 165 V CA -3.281 58.903 62.300 -0.193 0.000 0.976 165 V CB 0.116 31.867 31.823 -0.121 0.000 0.993 165 V HN -0.633 7.400 8.190 -0.262 0.000 0.475 166 P HA 0.188 nan 4.420 nan 0.000 0.276 166 P C -0.900 176.265 177.300 -0.225 0.000 1.261 166 P CA -1.603 61.302 63.100 -0.325 0.000 0.800 166 P CB 1.047 32.665 31.700 -0.136 0.000 1.066 167 F N -0.780 119.188 119.950 0.029 0.000 2.600 167 F HA 0.018 nan 4.527 nan 0.000 0.345 167 F C -0.167 175.749 175.800 0.193 0.000 1.271 167 F CA -0.619 57.370 58.000 -0.017 0.000 1.138 167 F CB -1.711 37.226 39.000 -0.106 0.000 1.449 167 F HN 0.418 8.387 8.300 -0.550 0.000 0.645 168 H N 0.426 119.661 119.070 0.276 0.000 2.437 168 H HA 0.464 nan 4.556 nan 0.000 0.338 168 H C 0.563 176.106 175.328 0.358 0.000 1.495 168 H CA -2.030 54.160 56.048 0.237 0.000 1.453 168 H CB 1.383 31.196 29.762 0.086 0.000 1.707 168 H HN 0.128 8.301 8.280 -0.114 0.038 0.655 169 L N -2.531 118.818 121.223 0.210 0.000 2.362 169 L HA -0.298 nan 4.340 nan 0.000 0.219 169 L C 0.973 177.932 176.870 0.148 0.000 1.134 169 L CA 1.171 56.103 54.840 0.153 0.000 0.807 169 L CB -0.259 41.830 42.059 0.051 0.000 0.927 169 L HN 0.144 8.502 8.230 0.214 0.000 0.447 170 G N -3.332 105.549 108.800 0.135 0.000 3.262 170 G HA2 0.063 nan 3.960 nan 0.000 0.228 170 G HA3 0.063 nan 3.960 nan 0.000 0.228 170 G C -0.498 174.341 174.900 -0.102 0.000 1.197 170 G CA -0.530 44.631 45.100 0.101 0.000 0.819 170 G HN -0.739 7.729 8.290 0.368 0.042 0.531 171 T N 2.036 116.460 114.554 -0.217 0.000 2.817 171 T HA 0.000 nan 4.350 nan 0.000 0.293 171 T C -0.304 174.299 174.700 -0.162 0.000 0.964 171 T CA -0.018 61.941 62.100 -0.235 0.000 1.085 171 T CB 0.580 69.286 68.868 -0.270 0.000 0.921 171 T HN -0.759 7.322 8.240 -0.081 0.111 0.502 172 R N 5.547 125.935 120.500 -0.187 0.000 2.296 172 R HA -0.007 nan 4.340 nan 0.000 0.323 172 R C -0.617 175.505 176.300 -0.296 0.000 1.067 172 R CA -0.217 55.763 56.100 -0.199 0.000 0.946 172 R CB 0.458 30.645 30.300 -0.188 0.000 0.991 172 R HN 0.407 8.571 8.270 -0.177 0.000 0.448 173 Q N 5.073 124.710 119.800 -0.272 0.000 2.286 173 Q HA -0.055 nan 4.340 nan 0.000 0.265 173 Q C -0.034 175.809 176.000 -0.261 0.000 1.080 173 Q CA 0.858 56.476 55.803 -0.309 0.000 0.906 173 Q CB -0.220 28.379 28.738 -0.232 0.000 1.227 173 Q HN 0.456 8.612 8.270 -0.189 0.000 0.409 174 V N 3.385 123.109 119.914 -0.316 0.000 3.306 174 V HA -0.015 nan 4.120 nan 0.000 0.264 174 V C -0.939 174.981 176.094 -0.289 0.000 1.149 174 V CA 0.893 62.986 62.300 -0.346 0.000 1.143 174 V CB -0.391 31.124 31.823 -0.513 0.000 0.767 174 V HN 0.847 8.730 8.190 -0.356 0.094 0.476 175 c N -5.558 112.904 118.600 -0.230 0.000 3.165 175 c HA 0.177 nan 4.570 nan 0.000 0.345 175 c C -1.964 172.034 174.090 -0.153 0.000 1.367 175 c CA -2.136 54.089 56.329 -0.172 0.000 1.205 175 c CB 0.792 43.203 42.510 -0.164 0.000 1.447 175 c HN -0.705 7.339 8.230 -0.238 0.043 0.451 176 I N 1.464 121.950 120.570 -0.140 0.000 2.342 176 I HA 0.214 nan 4.170 nan 0.000 0.291 176 I C -1.295 174.696 176.117 -0.210 0.000 1.010 176 I CA -0.445 60.769 61.300 -0.143 0.000 1.308 176 I CB 0.026 37.952 38.000 -0.123 0.000 1.400 176 I HN 0.169 8.298 8.210 -0.135 0.000 0.488 177 A N 6.167 128.866 122.820 -0.203 0.000 2.547 177 A HA 0.345 nan 4.320 nan 0.000 0.300 177 A C -1.968 175.560 177.584 -0.093 0.000 1.061 177 A CA 0.324 52.208 52.037 -0.255 0.000 0.808 177 A CB 2.642 21.539 19.000 -0.173 0.000 1.304 177 A HN 0.079 8.147 8.150 -0.136 0.000 0.393 178 W N -0.954 120.325 121.300 -0.035 0.000 3.067 178 W HA 0.299 nan 4.660 nan 0.000 0.417 178 W C -1.505 175.011 176.519 -0.005 0.000 1.029 178 W CA -2.128 55.206 57.345 -0.019 0.000 1.992 178 W CB 0.340 29.790 29.460 -0.017 0.000 1.122 178 W HN 0.433 8.139 8.180 -0.790 0.000 0.681 179 S N 0.020 115.868 115.700 0.247 0.000 2.579 179 S HA 0.198 nan 4.470 nan 0.000 0.290 179 S C -2.573 172.058 174.600 0.051 0.000 1.123 179 S CA 0.588 58.915 58.200 0.211 0.000 0.894 179 S CB 1.401 64.802 63.200 0.335 0.000 1.095 179 S HN -0.678 7.575 8.310 0.038 0.080 0.450 180 S N 3.944 119.682 115.700 0.065 0.000 2.672 180 S HA 0.790 nan 4.470 nan 0.000 0.271 180 S C -2.790 171.805 174.600 -0.009 0.000 1.171 180 S CA -0.968 57.255 58.200 0.039 0.000 0.817 180 S CB 2.738 66.003 63.200 0.108 0.000 1.150 180 S HN 0.153 8.757 8.310 0.093 -0.238 0.478 181 S N -1.435 114.269 115.700 0.007 0.000 2.602 181 S HA 0.271 nan 4.470 nan 0.000 0.301 181 S C -2.344 172.271 174.600 0.025 0.000 1.091 181 S CA 0.882 59.019 58.200 -0.105 0.000 0.895 181 S CB 1.490 64.626 63.200 -0.106 0.000 1.090 181 S HN -0.027 8.313 8.310 0.051 0.000 0.449 182 S N 6.043 121.768 115.700 0.041 0.000 2.568 182 S HA 0.947 nan 4.470 nan 0.000 0.293 182 S C -1.497 173.226 174.600 0.205 0.000 1.089 182 S CA -1.202 57.070 58.200 0.120 0.000 0.945 182 S CB 3.325 66.533 63.200 0.015 0.000 1.077 182 S HN 0.019 8.280 8.310 -0.083 0.000 0.485 183 c N -0.518 118.230 118.600 0.247 0.000 3.259 183 c HA 0.515 nan 4.570 nan 0.000 0.344 183 c C -2.688 171.349 174.090 -0.089 0.000 1.401 183 c CA -1.814 54.596 56.329 0.134 0.000 1.219 183 c CB 2.911 45.486 42.510 0.108 0.000 1.521 183 c HN 0.663 9.018 8.230 0.208 0.000 0.455 184 H N 0.739 119.619 119.070 -0.316 0.000 3.078 184 H HA 0.352 nan 4.556 nan 0.000 0.319 184 H C 0.060 175.293 175.328 -0.159 0.000 0.995 184 H CA -1.343 54.405 56.048 -0.500 0.000 1.417 184 H CB 2.497 31.627 29.762 -1.053 0.000 1.598 184 H HN 0.307 8.582 8.280 -0.008 0.000 0.515 185 D N 6.642 126.953 120.400 -0.148 0.000 2.351 185 D HA -0.213 nan 4.640 nan 0.000 0.216 185 D C 0.929 177.334 176.300 0.175 0.000 0.968 185 D CA 0.511 54.558 54.000 0.078 0.000 0.899 185 D CB 0.159 41.051 40.800 0.155 0.000 0.907 185 D HN -0.165 8.067 8.370 -0.229 0.000 0.514 186 G N -2.962 105.961 108.800 0.204 0.000 2.131 186 G HA2 -0.365 nan 3.960 nan 0.000 0.201 186 G HA3 -0.365 nan 3.960 nan 0.000 0.201 186 G C -0.829 174.166 174.900 0.160 0.000 1.000 186 G CA 0.461 45.711 45.100 0.249 0.000 0.680 186 G HN -0.049 8.151 8.290 0.017 0.100 0.514 187 K N -2.130 118.286 120.400 0.026 0.000 2.826 187 K HA 0.141 nan 4.320 nan 0.000 0.195 187 K C -1.090 175.409 176.600 -0.169 0.000 1.516 187 K CA 0.067 56.342 56.287 -0.020 0.000 1.213 187 K CB 3.137 35.606 32.500 -0.051 0.000 1.762 187 K HN 0.328 8.804 8.250 -0.108 -0.291 0.583 188 A N -1.383 121.160 122.820 -0.463 0.000 2.483 188 A HA 0.438 nan 4.320 nan 0.000 0.286 188 A C -2.714 174.328 177.584 -0.903 0.000 1.207 188 A CA -1.524 50.133 52.037 -0.634 0.000 0.764 188 A CB 2.479 21.022 19.000 -0.761 0.000 1.341 188 A HN -0.409 7.786 8.150 -0.262 -0.203 0.428 189 W N -2.729 118.266 121.300 -0.507 0.000 2.365 189 W HA 0.410 nan 4.660 nan 0.000 0.316 189 W C -0.987 175.320 176.519 -0.355 0.000 1.164 189 W CA -0.498 56.656 57.345 -0.317 0.000 1.204 189 W CB 1.897 31.297 29.460 -0.101 0.000 1.213 189 W HN 0.061 8.171 8.180 -0.115 0.000 0.539 190 L N 2.876 124.106 121.223 0.011 0.000 2.317 190 L HA 0.695 nan 4.340 nan 0.000 0.281 190 L C -2.011 174.674 176.870 -0.308 0.000 1.024 190 L CA -1.169 53.685 54.840 0.024 0.000 0.810 190 L CB 2.885 45.063 42.059 0.198 0.000 1.240 190 L HN 1.011 9.152 8.230 0.028 0.106 0.427 191 H N 5.266 124.465 119.070 0.216 0.000 2.689 191 H HA 0.549 nan 4.556 nan 0.000 0.346 191 H C -2.087 173.246 175.328 0.009 0.000 1.037 191 H CA -1.295 54.817 56.048 0.107 0.000 1.234 191 H CB 2.864 32.653 29.762 0.046 0.000 1.572 191 H HN 0.465 8.796 8.280 0.085 0.000 0.524 192 V N 0.529 120.457 119.914 0.024 0.000 2.357 192 V HA 0.717 nan 4.120 nan 0.000 0.284 192 V C -2.088 173.881 176.094 -0.209 0.000 1.018 192 V CA -2.390 59.773 62.300 -0.228 0.000 0.841 192 V CB 0.492 32.213 31.823 -0.169 0.000 0.991 192 V HN 0.546 8.775 8.190 0.064 0.000 0.437 193 c N 8.018 126.431 118.600 -0.312 0.000 2.563 193 c HA 0.886 nan 4.570 nan 0.000 0.314 193 c C -1.408 172.466 174.090 -0.360 0.000 1.199 193 c CA -2.192 53.983 56.329 -0.257 0.000 1.564 193 c CB 2.538 44.928 42.510 -0.200 0.000 2.173 193 c HN 0.138 8.096 8.230 -0.452 0.000 0.485 194 I N 2.434 122.747 120.570 -0.428 0.000 2.476 194 I HA 0.501 nan 4.170 nan 0.000 0.281 194 I C -1.484 173.951 176.117 -1.137 0.000 1.040 194 I CA -0.649 60.273 61.300 -0.631 0.000 1.094 194 I CB 1.332 39.004 38.000 -0.546 0.000 1.219 194 I HN 0.050 8.035 8.210 -0.375 0.000 0.450 195 T N 3.163 117.171 114.554 -0.909 0.000 2.910 195 T HA 0.587 nan 4.350 nan 0.000 0.287 195 T C -1.584 172.803 174.700 -0.521 0.000 1.050 195 T CA -2.849 58.620 62.100 -1.051 0.000 1.011 195 T CB 2.919 71.477 68.868 -0.518 0.000 1.195 195 T HN -0.210 7.678 8.240 -0.585 0.000 0.540 196 G N -0.121 108.614 108.800 -0.108 0.000 2.346 196 G HA2 -0.175 nan 3.960 nan 0.000 0.294 196 G HA3 -0.175 nan 3.960 nan 0.000 0.294 196 G C -2.059 173.005 174.900 0.274 0.000 1.294 196 G CA -0.416 44.729 45.100 0.074 0.000 0.962 196 G HN -0.111 8.226 8.290 0.077 0.000 0.508 197 D N 0.955 121.449 120.400 0.156 0.000 2.414 197 D HA -0.038 nan 4.640 nan 0.000 0.242 197 D C 0.150 176.548 176.300 0.164 0.000 1.129 197 D CA 0.370 54.447 54.000 0.129 0.000 0.885 197 D CB 0.585 41.424 40.800 0.064 0.000 1.198 197 D HN 0.106 8.532 8.370 0.094 0.000 0.437 198 D N 1.584 122.035 120.400 0.085 0.000 2.178 198 D HA -0.279 nan 4.640 nan 0.000 0.201 198 D C 1.093 177.408 176.300 0.025 0.000 0.980 198 D CA 3.539 57.554 54.000 0.025 0.000 0.842 198 D CB -0.009 40.737 40.800 -0.090 0.000 0.948 198 D HN 0.314 8.711 8.370 0.046 0.000 0.472 199 K N -5.699 114.712 120.400 0.019 0.000 2.365 199 K HA -0.085 nan 4.320 nan 0.000 0.197 199 K C 0.362 176.972 176.600 0.016 0.000 1.042 199 K CA 1.058 57.350 56.287 0.009 0.000 0.987 199 K CB -0.098 32.405 32.500 0.005 0.000 0.779 199 K HN -0.032 8.215 8.250 0.019 0.014 0.484 200 N N -1.881 116.839 118.700 0.033 0.000 2.636 200 N HA 0.083 nan 4.740 nan 0.000 0.287 200 N C -1.344 174.186 175.510 0.034 0.000 1.817 200 N CA -0.647 52.419 53.050 0.026 0.000 0.842 200 N CB 0.658 39.159 38.487 0.023 0.000 1.353 200 N HN -0.891 7.401 8.380 0.051 0.119 0.500 201 A N 0.017 122.872 122.820 0.059 0.000 2.433 201 A HA 0.011 nan 4.320 nan 0.000 0.250 201 A C -1.687 175.869 177.584 -0.047 0.000 1.113 201 A CA 0.799 52.856 52.037 0.033 0.000 0.794 201 A CB 0.835 19.908 19.000 0.121 0.000 1.067 201 A HN -0.088 8.114 8.150 0.086 0.000 0.510 202 T N -3.132 111.351 114.554 -0.118 0.000 2.956 202 T HA 0.418 nan 4.350 nan 0.000 0.312 202 T C -2.678 171.916 174.700 -0.177 0.000 1.151 202 T CA -0.829 61.212 62.100 -0.097 0.000 1.024 202 T CB 2.662 71.496 68.868 -0.056 0.000 1.140 202 T HN 0.048 8.174 8.240 -0.191 0.000 0.473 203 A N 5.362 128.106 122.820 -0.126 0.000 2.273 203 A HA 0.804 nan 4.320 nan 0.000 0.315 203 A C -1.415 176.002 177.584 -0.278 0.000 1.256 203 A CA -2.336 49.551 52.037 -0.250 0.000 0.851 203 A CB 1.696 20.564 19.000 -0.220 0.000 1.172 203 A HN 0.701 8.835 8.150 -0.027 0.000 0.508 204 S N 4.938 120.424 115.700 -0.358 0.000 2.562 204 S HA 0.628 nan 4.470 nan 0.000 0.275 204 S C -0.862 173.417 174.600 -0.535 0.000 1.281 204 S CA -0.937 57.107 58.200 -0.259 0.000 1.045 204 S CB 0.955 64.068 63.200 -0.145 0.000 0.962 204 S HN 0.462 8.561 8.310 -0.351 0.000 0.503 205 F N 3.888 123.862 119.950 0.041 0.000 2.308 205 F HA 0.467 nan 4.527 nan 0.000 0.370 205 F C -1.212 174.651 175.800 0.104 0.000 1.100 205 F CA -1.174 56.868 58.000 0.070 0.000 1.108 205 F CB 0.749 39.784 39.000 0.057 0.000 1.293 205 F HN 0.836 9.171 8.300 0.232 0.104 0.478 206 I N 4.001 124.692 120.570 0.201 0.000 2.312 206 I HA 0.390 nan 4.170 nan 0.000 0.290 206 I C -2.202 174.108 176.117 0.321 0.000 1.008 206 I CA -0.544 60.892 61.300 0.227 0.000 1.226 206 I CB 0.981 39.083 38.000 0.171 0.000 1.371 206 I HN 0.249 8.538 8.210 0.132 0.000 0.468 207 Y N 9.348 129.739 120.300 0.152 0.000 2.329 207 Y HA 0.165 nan 4.550 nan 0.000 0.328 207 Y C -1.573 174.395 175.900 0.113 0.000 0.992 207 Y CA -1.220 56.956 58.100 0.126 0.000 1.151 207 Y CB 2.901 41.421 38.460 0.100 0.000 1.150 207 Y HN 0.484 8.956 8.280 0.319 0.000 0.450 208 D N 7.846 128.059 120.400 -0.312 0.000 2.746 208 D HA -0.388 nan 4.640 nan 0.000 0.236 208 D C -0.028 176.258 176.300 -0.023 0.000 1.129 208 D CA 0.891 54.748 54.000 -0.239 0.000 0.691 208 D CB -0.331 40.276 40.800 -0.321 0.000 1.077 208 D HN 0.170 8.335 8.370 -0.342 0.000 0.432 209 G N -2.851 105.969 108.800 0.033 0.000 3.079 209 G HA2 -0.442 nan 3.960 nan 0.000 0.214 209 G HA3 -0.442 nan 3.960 nan 0.000 0.214 209 G C -0.747 174.191 174.900 0.063 0.000 1.335 209 G CA 0.023 45.146 45.100 0.039 0.000 0.822 209 G HN 0.463 8.788 8.290 0.059 0.000 0.545 210 R N 2.933 123.486 120.500 0.087 0.000 2.543 210 R HA -0.039 nan 4.340 nan 0.000 0.277 210 R C -0.725 175.648 176.300 0.121 0.000 1.074 210 R CA -0.800 55.356 56.100 0.093 0.000 1.076 210 R CB 0.589 30.948 30.300 0.098 0.000 0.993 210 R HN -0.386 7.863 8.270 0.093 0.076 0.459 211 L N 3.119 124.397 121.223 0.092 0.000 2.456 211 L HA -0.050 nan 4.340 nan 0.000 0.277 211 L C -0.098 176.841 176.870 0.115 0.000 1.124 211 L CA 1.099 56.000 54.840 0.101 0.000 0.880 211 L CB 0.097 42.194 42.059 0.063 0.000 1.192 211 L HN 0.207 8.478 8.230 0.068 0.000 0.463 212 V N 5.143 125.150 119.914 0.154 0.000 3.431 212 V HA 0.202 nan 4.120 nan 0.000 0.253 212 V C -0.970 175.193 176.094 0.115 0.000 1.184 212 V CA 0.215 62.593 62.300 0.129 0.000 1.104 212 V CB 0.722 32.625 31.823 0.134 0.000 0.799 212 V HN 0.950 9.256 8.190 0.192 0.000 0.462 213 D N -2.976 117.530 120.400 0.176 0.000 2.653 213 D HA 0.266 nan 4.640 nan 0.000 0.258 213 D C -2.723 173.763 176.300 0.310 0.000 1.252 213 D CA -0.259 53.849 54.000 0.180 0.000 0.777 213 D CB 4.027 44.877 40.800 0.083 0.000 1.339 213 D HN -0.701 7.801 8.370 0.220 0.000 0.422 214 S N -1.276 114.583 115.700 0.265 0.000 2.625 214 S HA 0.862 nan 4.470 nan 0.000 0.271 214 S C -1.960 172.796 174.600 0.260 0.000 1.161 214 S CA -0.802 57.591 58.200 0.321 0.000 0.820 214 S CB 3.374 66.664 63.200 0.150 0.000 1.137 214 S HN 0.058 8.467 8.310 0.164 0.000 0.470 215 I N -0.038 120.700 120.570 0.279 0.000 2.802 215 I HA 0.386 nan 4.170 nan 0.000 0.298 215 I C -1.660 174.549 176.117 0.153 0.000 1.176 215 I CA -0.886 60.551 61.300 0.228 0.000 1.025 215 I CB 3.842 42.038 38.000 0.326 0.000 1.243 215 I HN 0.117 8.501 8.210 0.290 0.000 0.424 216 G N 2.649 111.529 108.800 0.135 0.000 2.488 216 G HA2 0.410 nan 3.960 nan 0.000 0.318 216 G HA3 0.410 nan 3.960 nan 0.000 0.318 216 G C -1.687 173.259 174.900 0.076 0.000 1.188 216 G CA -1.566 43.583 45.100 0.082 0.000 0.944 216 G HN 0.043 8.427 8.290 0.158 0.000 0.495 217 S N 1.398 117.090 115.700 -0.014 0.000 2.466 217 S HA -0.124 nan 4.470 nan 0.000 0.286 217 S C 1.423 176.018 174.600 -0.009 0.000 1.221 217 S CA -0.016 58.105 58.200 -0.132 0.000 1.091 217 S CB 0.312 63.454 63.200 -0.097 0.000 0.956 217 S HN -0.307 8.001 8.310 -0.003 0.000 0.501 218 W N 5.394 126.721 121.300 0.044 0.000 2.584 218 W HA 0.176 nan 4.660 nan 0.000 0.264 218 W C -0.528 176.008 176.519 0.028 0.000 1.264 218 W CA 0.521 57.886 57.345 0.033 0.000 1.306 218 W CB -0.048 29.430 29.460 0.031 0.000 1.110 218 W HN -0.154 7.792 8.180 -0.420 -0.018 0.606 219 S N -1.878 113.871 115.700 0.083 0.000 2.603 219 S HA 0.107 nan 4.470 nan 0.000 0.232 219 S C -0.402 174.211 174.600 0.021 0.000 1.016 219 S CA 0.244 58.511 58.200 0.111 0.000 0.976 219 S CB 0.972 64.248 63.200 0.127 0.000 0.921 219 S HN -0.359 8.145 8.310 -0.224 -0.329 0.516 220 Q N -2.871 116.917 119.800 -0.019 0.000 2.480 220 Q HA -0.381 nan 4.340 nan 0.000 0.265 220 Q C -1.552 174.433 176.000 -0.026 0.000 1.072 220 Q CA 1.494 57.289 55.803 -0.014 0.000 1.018 220 Q CB -1.668 27.078 28.738 0.013 0.000 1.433 220 Q HN 0.342 8.537 8.270 -0.029 0.058 0.513 221 N N -2.054 116.613 118.700 -0.054 0.000 2.500 221 N HA 0.217 nan 4.740 nan 0.000 0.291 221 N C -1.615 173.855 175.510 -0.067 0.000 1.092 221 N CA -1.005 52.015 53.050 -0.049 0.000 0.890 221 N CB 2.229 40.695 38.487 -0.035 0.000 1.466 221 N HN -0.356 8.112 8.380 -0.080 -0.135 0.507 222 I N 3.610 124.148 120.570 -0.053 0.000 2.727 222 I HA -0.504 nan 4.170 nan 0.000 0.127 222 I C -0.381 175.731 176.117 -0.009 0.000 0.882 222 I CA 0.609 61.887 61.300 -0.037 0.000 2.785 222 I CB -1.479 36.452 38.000 -0.116 0.000 0.548 222 I HN 0.694 8.872 8.210 -0.053 0.000 0.352 223 L N 8.810 130.028 121.223 -0.008 0.000 2.559 223 L HA -0.072 nan 4.340 nan 0.000 0.274 223 L C -1.082 175.836 176.870 0.080 0.000 1.205 223 L CA 1.480 56.252 54.840 -0.113 0.000 0.907 223 L CB 0.422 42.348 42.059 -0.222 0.000 1.153 223 L HN 0.187 8.435 8.230 0.029 0.000 0.490 224 R N 2.730 123.241 120.500 0.019 0.000 2.739 224 R HA 0.700 nan 4.340 nan 0.000 0.271 224 R C -2.365 173.975 176.300 0.067 0.000 1.010 224 R CA -1.943 54.222 56.100 0.108 0.000 0.897 224 R CB 4.061 34.424 30.300 0.105 0.000 1.236 224 R HN 0.471 8.699 8.270 -0.071 0.000 0.466 225 T N -1.499 113.105 114.554 0.084 0.000 2.626 225 T HA 0.472 nan 4.350 nan 0.000 0.279 225 T C 0.693 175.424 174.700 0.052 0.000 0.983 225 T CA -1.712 60.424 62.100 0.061 0.000 1.059 225 T CB 2.233 71.129 68.868 0.046 0.000 1.396 225 T HN 0.197 8.507 8.240 0.117 0.000 0.519 226 Q N 0.824 120.633 119.800 0.015 0.000 2.061 226 Q HA -0.304 nan 4.340 nan 0.000 0.204 226 Q C 1.113 177.114 176.000 0.002 0.000 0.984 226 Q CA 2.898 58.698 55.803 -0.006 0.000 0.846 226 Q CB 0.435 29.142 28.738 -0.050 0.000 0.902 226 Q HN 0.477 8.751 8.270 0.007 0.000 0.421 227 E N -4.920 115.248 120.200 -0.054 0.000 2.759 227 E HA -0.384 nan 4.350 nan 0.000 0.280 227 E C -2.230 174.247 176.600 -0.206 0.000 1.009 227 E CA 1.042 57.430 56.400 -0.020 0.000 0.849 227 E CB -1.427 28.404 29.700 0.219 0.000 1.415 227 E HN -0.114 8.202 8.360 -0.074 0.000 0.412 228 S N -5.556 109.814 115.700 -0.550 0.000 2.655 228 S HA 0.185 nan 4.470 nan 0.000 0.266 228 S C -1.977 172.263 174.600 -0.599 0.000 1.149 228 S CA -0.848 56.992 58.200 -0.601 0.000 0.818 228 S CB 2.275 65.487 63.200 0.021 0.000 1.130 228 S HN -0.868 7.126 8.310 -0.472 0.033 0.476 229 E N 0.488 120.544 120.200 -0.240 0.000 2.558 229 E HA -0.184 nan 4.350 nan 0.000 0.255 229 E C -0.157 176.430 176.600 -0.020 0.000 0.968 229 E CA 0.201 56.580 56.400 -0.035 0.000 0.939 229 E CB 0.448 30.239 29.700 0.153 0.000 0.921 229 E HN 0.300 8.634 8.360 -0.044 0.000 0.477 230 c N 2.512 121.107 118.600 -0.008 0.000 2.560 230 c HA 0.643 nan 4.570 nan 0.000 0.334 230 c C -0.569 173.539 174.090 0.030 0.000 1.404 230 c CA -2.158 54.172 56.329 0.002 0.000 2.410 230 c CB 0.381 42.897 42.510 0.010 0.000 2.268 230 c HN -0.352 7.872 8.230 -0.010 0.000 0.673 231 V N -2.454 117.462 119.914 0.002 0.000 2.888 231 V HA 0.470 nan 4.120 nan 0.000 0.309 231 V C -2.521 173.599 176.094 0.044 0.000 1.114 231 V CA -0.847 61.467 62.300 0.023 0.000 0.940 231 V CB 3.976 35.737 31.823 -0.104 0.000 1.021 231 V HN -0.141 8.032 8.190 -0.030 0.000 0.426 232 c N 4.841 123.539 118.600 0.164 0.000 2.396 232 c HA 0.728 nan 4.570 nan 0.000 0.321 232 c C -1.337 172.899 174.090 0.245 0.000 1.233 232 c CA -1.795 54.618 56.329 0.139 0.000 1.440 232 c CB 1.455 44.033 42.510 0.113 0.000 2.110 232 c HN 0.378 8.789 8.230 0.302 0.000 0.473 233 I N 2.569 123.226 120.570 0.145 0.000 2.411 233 I HA 0.117 nan 4.170 nan 0.000 0.284 233 I C -0.678 175.471 176.117 0.053 0.000 1.012 233 I CA -0.738 60.677 61.300 0.192 0.000 1.119 233 I CB 1.228 39.351 38.000 0.204 0.000 1.261 233 I HN 0.207 8.456 8.210 0.064 0.000 0.448 234 N N 7.100 125.812 118.700 0.020 0.000 2.901 234 N HA -0.337 nan 4.740 nan 0.000 0.248 234 N C -0.230 174.966 175.510 -0.523 0.000 1.044 234 N CA 1.384 54.374 53.050 -0.100 0.000 0.847 234 N CB -1.340 37.136 38.487 -0.018 0.000 1.127 234 N HN 1.155 9.478 8.380 0.095 0.114 0.562 235 G N -6.604 101.782 108.800 -0.689 0.000 2.175 235 G HA2 -0.374 nan 3.960 nan 0.000 0.244 235 G HA3 -0.374 nan 3.960 nan 0.000 0.244 235 G C -1.281 173.386 174.900 -0.388 0.000 0.982 235 G CA 0.276 44.787 45.100 -0.981 0.000 0.641 235 G HN 0.235 8.273 8.290 -0.366 0.033 0.527 236 T N 3.201 117.636 114.554 -0.199 0.000 2.756 236 T HA 0.518 nan 4.350 nan 0.000 0.290 236 T C -0.884 173.791 174.700 -0.042 0.000 0.985 236 T CA -0.208 61.851 62.100 -0.068 0.000 0.955 236 T CB 0.750 69.633 68.868 0.025 0.000 0.930 236 T HN -0.811 7.253 8.240 -0.189 0.062 0.451 237 c N 6.458 125.030 118.600 -0.047 0.000 2.328 237 c HA 0.847 nan 4.570 nan 0.000 0.378 237 c C -0.523 173.491 174.090 -0.128 0.000 1.249 237 c CA -1.279 55.022 56.329 -0.047 0.000 2.204 237 c CB 1.732 44.238 42.510 -0.007 0.000 2.218 237 c HN 0.594 8.790 8.230 -0.056 0.000 0.564 238 T N 1.675 116.135 114.554 -0.157 0.000 3.011 238 T HA 0.371 nan 4.350 nan 0.000 0.303 238 T C -2.568 172.036 174.700 -0.161 0.000 0.997 238 T CA 0.255 62.173 62.100 -0.303 0.000 1.007 238 T CB 2.394 71.037 68.868 -0.375 0.000 1.017 238 T HN 0.042 8.228 8.240 -0.090 0.000 0.443 239 V N 7.009 126.848 119.914 -0.126 0.000 2.864 239 V HA 0.817 nan 4.120 nan 0.000 0.314 239 V C -2.665 173.409 176.094 -0.034 0.000 1.073 239 V CA -2.464 59.815 62.300 -0.035 0.000 0.956 239 V CB 4.275 36.142 31.823 0.074 0.000 1.023 239 V HN -0.047 8.040 8.190 -0.171 0.000 0.435 240 V N 1.397 121.311 119.914 0.000 0.000 2.555 240 V HA 0.875 nan 4.120 nan 0.000 0.302 240 V C -1.698 174.452 176.094 0.095 0.000 1.038 240 V CA -3.118 59.203 62.300 0.036 0.000 0.887 240 V CB 1.735 33.560 31.823 0.004 0.000 0.991 240 V HN 0.224 8.415 8.190 0.001 0.000 0.434 241 M N 4.289 123.996 119.600 0.178 0.000 2.619 241 M HA 0.715 nan 4.480 nan 0.000 0.297 241 M C -2.054 174.411 176.300 0.276 0.000 1.229 241 M CA -1.256 54.172 55.300 0.213 0.000 0.860 241 M CB 4.446 37.212 32.600 0.276 0.000 1.741 241 M HN 0.456 8.866 8.290 0.200 0.000 0.462 242 T N 0.231 114.875 114.554 0.150 0.000 2.991 242 T HA 0.518 nan 4.350 nan 0.000 0.303 242 T C -2.579 172.104 174.700 -0.028 0.000 1.015 242 T CA -0.663 61.519 62.100 0.138 0.000 1.007 242 T CB 2.248 71.139 68.868 0.038 0.000 1.034 242 T HN 0.646 8.930 8.240 0.074 0.000 0.446 243 D N 7.782 128.158 120.400 -0.040 0.000 2.362 243 D HA 0.932 nan 4.640 nan 0.000 0.247 243 D C -0.931 175.360 176.300 -0.014 0.000 1.050 243 D CA -1.735 52.118 54.000 -0.244 0.000 0.839 243 D CB 3.490 43.751 40.800 -0.899 0.000 1.283 243 D HN 0.271 8.813 8.370 0.288 0.000 0.477 244 G N 4.417 113.196 108.800 -0.034 0.000 2.291 244 G HA2 -0.105 nan 3.960 nan 0.000 0.249 244 G HA3 -0.105 nan 3.960 nan 0.000 0.249 244 G C -2.339 172.556 174.900 -0.008 0.000 1.340 244 G CA -0.018 45.086 45.100 0.007 0.000 1.017 244 G HN 0.534 8.785 8.290 -0.066 0.000 0.470 245 S N 0.969 116.661 115.700 -0.014 0.000 2.537 245 S HA 0.208 nan 4.470 nan 0.000 0.275 245 S C 0.537 175.172 174.600 0.059 0.000 1.272 245 S CA -2.044 56.136 58.200 -0.034 0.000 1.050 245 S CB 0.514 63.640 63.200 -0.122 0.000 0.961 245 S HN -0.133 8.167 8.310 -0.017 0.000 0.496 246 A N 5.713 128.561 122.820 0.047 0.000 1.854 246 A HA -0.060 nan 4.320 nan 0.000 0.214 246 A C -0.188 177.354 177.584 -0.071 0.000 1.192 246 A CA 2.331 54.455 52.037 0.146 0.000 0.611 246 A CB 0.137 19.188 19.000 0.084 0.000 0.832 246 A HN 0.469 8.620 8.150 0.002 0.000 0.442 247 S N -3.011 112.587 115.700 -0.170 0.000 3.208 247 S HA 0.076 nan 4.470 nan 0.000 0.195 247 S C -0.855 173.393 174.600 -0.587 0.000 1.394 247 S CA -1.049 56.978 58.200 -0.288 0.000 1.127 247 S CB -0.785 62.360 63.200 -0.091 0.000 1.282 247 S HN -0.396 7.851 8.310 -0.105 0.000 0.513 248 G N -0.350 107.832 108.800 -1.030 0.000 2.322 248 G HA2 -0.070 nan 3.960 nan 0.000 0.295 248 G HA3 -0.070 nan 3.960 nan 0.000 0.295 248 G C -2.743 171.384 174.900 -1.288 0.000 1.369 248 G CA -0.088 44.147 45.100 -1.442 0.000 0.821 248 G HN -0.893 6.807 8.290 -0.869 0.069 0.536 249 R N -2.182 117.664 120.500 -1.089 0.000 2.585 249 R HA -0.086 nan 4.340 nan 0.000 0.275 249 R C -0.585 175.639 176.300 -0.127 0.000 1.018 249 R CA 1.166 57.048 56.100 -0.364 0.000 1.072 249 R CB -0.010 30.237 30.300 -0.089 0.000 0.953 249 R HN 0.279 7.896 8.270 -1.088 0.000 0.419 250 A N 3.080 125.908 122.820 0.014 0.000 2.524 250 A HA 0.459 nan 4.320 nan 0.000 0.289 250 A C -2.084 175.554 177.584 0.090 0.000 1.248 250 A CA -1.305 50.757 52.037 0.042 0.000 0.712 250 A CB 3.079 22.095 19.000 0.027 0.000 1.312 250 A HN 0.008 8.199 8.150 0.069 0.000 0.441 251 D N -0.874 119.623 120.400 0.162 0.000 2.462 251 D HA 0.236 nan 4.640 nan 0.000 0.245 251 D C -1.397 175.121 176.300 0.364 0.000 1.122 251 D CA -0.809 53.346 54.000 0.259 0.000 0.864 251 D CB 1.927 42.964 40.800 0.394 0.000 1.098 251 D HN 0.319 8.678 8.370 0.156 0.105 0.541 252 T N 6.158 120.826 114.554 0.190 0.000 2.786 252 T HA 0.647 nan 4.350 nan 0.000 0.283 252 T C -1.486 173.268 174.700 0.090 0.000 0.992 252 T CA -0.650 61.555 62.100 0.174 0.000 0.954 252 T CB 1.089 70.002 68.868 0.075 0.000 0.934 252 T HN 0.355 8.665 8.240 0.117 0.000 0.440 253 R N 4.564 125.131 120.500 0.112 0.000 2.919 253 R HA 1.102 nan 4.340 nan 0.000 0.260 253 R C -1.544 174.798 176.300 0.071 0.000 1.067 253 R CA -2.456 53.635 56.100 -0.015 0.000 1.003 253 R CB 3.773 33.893 30.300 -0.300 0.000 1.192 253 R HN 0.473 8.923 8.270 0.301 0.000 0.488 254 I N 0.029 120.646 120.570 0.079 0.000 2.439 254 I HA 0.473 nan 4.170 nan 0.000 0.285 254 I C -1.498 174.698 176.117 0.131 0.000 1.021 254 I CA -0.662 60.686 61.300 0.080 0.000 1.091 254 I CB 1.819 39.876 38.000 0.094 0.000 1.242 254 I HN 0.815 8.969 8.210 0.075 0.101 0.439 255 L N 6.035 127.252 121.223 -0.010 0.000 2.307 255 L HA 0.634 nan 4.340 nan 0.000 0.282 255 L C -1.107 175.645 176.870 -0.197 0.000 1.051 255 L CA -0.677 54.180 54.840 0.029 0.000 0.804 255 L CB 0.439 42.502 42.059 0.006 0.000 1.197 255 L HN 0.458 8.653 8.230 -0.059 0.000 0.431 256 F N 3.436 123.393 119.950 0.010 0.000 2.426 256 F HA 0.495 nan 4.527 nan 0.000 0.348 256 F C -1.525 174.261 175.800 -0.024 0.000 1.124 256 F CA -1.422 56.603 58.000 0.042 0.000 1.008 256 F CB 1.830 40.940 39.000 0.183 0.000 1.139 256 F HN 0.693 9.293 8.300 0.500 0.000 0.452 257 I N 2.609 123.204 120.570 0.042 0.000 2.548 257 I HA 0.609 nan 4.170 nan 0.000 0.287 257 I C -2.754 173.315 176.117 -0.080 0.000 1.103 257 I CA -1.067 60.198 61.300 -0.059 0.000 1.049 257 I CB 3.246 41.158 38.000 -0.146 0.000 1.232 257 I HN 0.062 8.285 8.210 0.021 0.000 0.429 258 E N 8.293 128.430 120.200 -0.105 0.000 2.165 258 E HA 0.346 nan 4.350 nan 0.000 0.266 258 E C -0.346 176.099 176.600 -0.259 0.000 0.889 258 E CA -1.624 54.682 56.400 -0.156 0.000 0.756 258 E CB 1.570 31.218 29.700 -0.087 0.000 1.131 258 E HN 0.636 8.941 8.360 -0.092 0.000 0.411 259 E N 4.164 124.069 120.200 -0.490 0.000 2.294 259 E HA -0.369 nan 4.350 nan 0.000 0.228 259 E C -0.581 175.622 176.600 -0.661 0.000 1.253 259 E CA 1.001 56.841 56.400 -0.933 0.000 0.716 259 E CB -2.051 27.401 29.700 -0.412 0.000 1.184 259 E HN 1.066 9.165 8.360 -0.436 0.000 0.374 260 G N -6.392 102.143 108.800 -0.442 0.000 2.205 260 G HA2 -0.382 nan 3.960 nan 0.000 0.261 260 G HA3 -0.382 nan 3.960 nan 0.000 0.261 260 G C -0.477 174.394 174.900 -0.049 0.000 0.980 260 G CA -0.072 44.993 45.100 -0.059 0.000 0.632 260 G HN -0.055 7.945 8.290 -0.483 0.000 0.533 261 K N 1.723 122.053 120.400 -0.117 0.000 2.234 261 K HA 0.225 nan 4.320 nan 0.000 0.277 261 K C -0.521 175.987 176.600 -0.154 0.000 1.038 261 K CA -1.791 54.430 56.287 -0.111 0.000 0.888 261 K CB 0.810 33.264 32.500 -0.076 0.000 1.091 261 K HN -0.429 7.547 8.250 -0.158 0.179 0.467 262 I N 5.599 126.036 120.570 -0.222 0.000 2.769 262 I HA -0.308 nan 4.170 nan 0.000 0.285 262 I C 0.560 176.615 176.117 -0.104 0.000 1.173 262 I CA 1.956 63.135 61.300 -0.202 0.000 1.389 262 I CB -1.268 36.579 38.000 -0.254 0.000 1.404 262 I HN -0.122 8.151 8.210 -0.250 -0.213 0.544 263 V N 2.482 122.370 119.914 -0.043 0.000 3.528 263 V HA 0.330 nan 4.120 nan 0.000 0.294 263 V C -0.622 175.435 176.094 -0.061 0.000 1.404 263 V CA -0.456 61.822 62.300 -0.036 0.000 1.065 263 V CB 0.831 32.662 31.823 0.013 0.000 0.904 263 V HN 0.965 9.148 8.190 -0.012 0.000 0.435 264 H N -0.562 118.419 119.070 -0.148 0.000 3.139 264 H HA 0.236 nan 4.556 nan 0.000 0.325 264 H C -2.832 172.445 175.328 -0.085 0.000 1.146 264 H CA 0.325 56.193 56.048 -0.301 0.000 1.351 264 H CB 3.690 32.947 29.762 -0.841 0.000 2.005 264 H HN -0.604 7.714 8.280 0.064 0.000 0.517 265 I N 4.692 125.316 120.570 0.088 0.000 2.465 265 I HA 0.380 nan 4.170 nan 0.000 0.291 265 I C -1.170 175.063 176.117 0.194 0.000 1.014 265 I CA -0.786 60.605 61.300 0.151 0.000 1.093 265 I CB 2.957 40.922 38.000 -0.057 0.000 1.267 265 I HN 0.260 8.322 8.210 -0.246 0.000 0.431 266 S N 6.596 122.423 115.700 0.212 0.000 2.513 266 S HA 0.578 nan 4.470 nan 0.000 0.299 266 S C -2.420 172.211 174.600 0.052 0.000 1.087 266 S CA -2.758 55.517 58.200 0.126 0.000 1.012 266 S CB 1.466 64.747 63.200 0.135 0.000 1.044 266 S HN 0.469 8.958 8.310 0.298 0.000 0.485 267 P HA 0.475 nan 4.420 nan 0.000 0.285 267 P C -1.469 175.842 177.300 0.018 0.000 1.269 267 P CA -1.145 61.941 63.100 -0.023 0.000 0.844 267 P CB 0.911 32.581 31.700 -0.050 0.000 1.094 268 L N 0.539 121.775 121.223 0.022 0.000 2.578 268 L HA -0.218 nan 4.340 nan 0.000 0.279 268 L C -0.882 176.009 176.870 0.035 0.000 1.227 268 L CA 1.171 56.032 54.840 0.035 0.000 0.900 268 L CB 0.289 42.371 42.059 0.039 0.000 1.144 268 L HN -0.122 8.116 8.230 0.013 0.000 0.496 269 A N 5.112 127.955 122.820 0.037 0.000 3.540 269 A HA 0.468 nan 4.320 nan 0.000 0.180 269 A C -1.041 176.569 177.584 0.043 0.000 1.231 269 A CA -1.497 50.562 52.037 0.037 0.000 0.873 269 A CB 1.835 20.853 19.000 0.030 0.000 1.548 269 A HN 0.233 8.406 8.150 0.038 0.000 0.570 270 G N -1.647 107.177 108.800 0.041 0.000 2.601 270 G HA2 -0.398 nan 3.960 nan 0.000 0.261 270 G HA3 -0.398 nan 3.960 nan 0.000 0.261 270 G C 0.236 175.175 174.900 0.064 0.000 1.289 270 G CA 1.223 46.351 45.100 0.047 0.000 0.920 270 G HN -0.094 8.218 8.290 0.035 0.000 0.571 271 S N 0.938 116.688 115.700 0.084 0.000 2.554 271 S HA 0.052 nan 4.470 nan 0.000 0.226 271 S C -0.175 174.547 174.600 0.202 0.000 0.980 271 S CA -0.049 58.223 58.200 0.120 0.000 0.939 271 S CB 0.946 64.211 63.200 0.108 0.000 0.832 271 S HN 0.308 8.571 8.310 0.079 0.094 0.486 272 A N 2.232 125.145 122.820 0.155 0.000 2.437 272 A HA 0.044 nan 4.320 nan 0.000 0.303 272 A C 0.042 177.754 177.584 0.213 0.000 1.324 272 A CA -0.102 52.023 52.037 0.148 0.000 0.983 272 A CB -0.677 18.284 19.000 -0.064 0.000 1.142 272 A HN -0.027 8.182 8.150 0.099 0.000 0.541 273 Q N 2.088 122.094 119.800 0.343 0.000 2.325 273 Q HA -0.363 nan 4.340 nan 0.000 0.211 273 Q C -0.282 176.027 176.000 0.514 0.000 0.988 273 Q CA 1.803 57.836 55.803 0.382 0.000 0.887 273 Q CB 0.375 29.300 28.738 0.312 0.000 0.915 273 Q HN 0.174 8.726 8.270 0.470 0.000 0.440 274 H N -6.318 112.898 119.070 0.242 0.000 3.156 274 H HA 0.065 nan 4.556 nan 0.000 0.319 274 H C -2.019 173.358 175.328 0.081 0.000 1.067 274 H CA -0.032 56.135 56.048 0.198 0.000 1.417 274 H CB 2.493 32.436 29.762 0.303 0.000 2.050 274 H HN -0.541 7.841 8.280 0.282 0.067 0.473 275 V N 7.233 127.049 119.914 -0.163 0.000 2.464 275 V HA 0.164 nan 4.120 nan 0.000 0.255 275 V C -1.332 174.680 176.094 -0.137 0.000 0.946 275 V CA -0.554 61.682 62.300 -0.107 0.000 0.988 275 V CB -0.177 31.608 31.823 -0.064 0.000 1.210 275 V HN 0.659 8.620 8.190 -0.380 0.000 0.523 276 E N 3.726 123.856 120.200 -0.116 0.000 2.342 276 E HA 0.138 nan 4.350 nan 0.000 0.257 276 E C -0.143 176.453 176.600 -0.007 0.000 1.150 276 E CA -0.903 55.468 56.400 -0.048 0.000 0.926 276 E CB 1.892 31.599 29.700 0.012 0.000 1.074 276 E HN 0.451 8.775 8.360 -0.061 0.000 0.449 277 E N -2.765 117.443 120.200 0.014 0.000 2.149 277 E HA -0.403 nan 4.350 nan 0.000 0.191 277 E C -1.154 175.454 176.600 0.014 0.000 1.384 277 E CA 0.375 56.786 56.400 0.019 0.000 0.698 277 E CB -1.211 28.483 29.700 -0.010 0.000 1.086 277 E HN 0.433 8.807 8.360 0.024 0.000 0.338 278 c N -1.182 117.426 118.600 0.015 0.000 2.652 278 c HA 0.070 nan 4.570 nan 0.000 0.412 278 c C 0.146 174.264 174.090 0.047 0.000 1.294 278 c CA 0.016 56.356 56.329 0.019 0.000 2.127 278 c CB 0.898 43.408 42.510 -0.000 0.000 2.691 278 c HN 0.080 8.318 8.230 0.013 0.000 0.615 279 S N 2.996 118.747 115.700 0.084 0.000 2.520 279 S HA 0.364 nan 4.470 nan 0.000 0.324 279 S C -1.468 173.217 174.600 0.141 0.000 1.069 279 S CA 0.104 58.392 58.200 0.147 0.000 1.121 279 S CB 0.884 64.231 63.200 0.245 0.000 0.971 279 S HN 0.088 8.339 8.310 0.083 0.108 0.463 280 c N 6.381 125.031 118.600 0.084 0.000 2.407 280 c HA 0.880 nan 4.570 nan 0.000 0.366 280 c C -1.639 172.496 174.090 0.076 0.000 1.213 280 c CA -0.927 55.397 56.329 -0.008 0.000 2.011 280 c CB 2.270 44.740 42.510 -0.067 0.000 2.306 280 c HN 0.476 8.753 8.230 0.078 0.000 0.527 281 Y N -3.777 116.460 120.300 -0.106 0.000 2.687 281 Y HA 0.255 nan 4.550 nan 0.000 0.338 281 Y C -3.516 172.229 175.900 -0.258 0.000 1.189 281 Y CA -2.561 55.416 58.100 -0.205 0.000 1.097 281 Y CB -0.459 37.884 38.460 -0.194 0.000 1.342 281 Y HN 0.305 8.386 8.280 -0.332 0.000 0.461 282 P HA 0.137 nan 4.420 nan 0.000 0.234 282 P C -1.501 175.787 177.300 -0.020 0.000 1.799 282 P CA -0.777 62.184 63.100 -0.232 0.000 1.118 282 P CB -1.158 30.130 31.700 -0.687 0.000 1.827 283 R N 4.464 124.994 120.500 0.050 0.000 2.853 283 R HA -0.171 nan 4.340 nan 0.000 0.238 283 R C 0.733 177.077 176.300 0.072 0.000 1.538 283 R CA -0.247 55.905 56.100 0.087 0.000 1.166 283 R CB -1.134 29.198 30.300 0.052 0.000 1.201 283 R HN -0.455 7.744 8.270 -0.038 0.048 0.606 284 Y N 8.219 128.526 120.300 0.011 0.000 1.330 284 Y HA -0.430 nan 4.550 nan 0.000 0.086 284 Y C -1.380 174.526 175.900 0.010 0.000 0.609 284 Y CA 3.633 61.751 58.100 0.030 0.000 0.290 284 Y CB -2.736 35.755 38.460 0.053 0.000 0.532 284 Y HN -0.197 8.217 8.280 0.238 0.010 0.804 285 P HA -0.120 nan 4.420 nan 0.000 0.226 285 P C -1.365 175.698 177.300 -0.396 0.000 1.146 285 P CA 0.664 63.242 63.100 -0.870 0.000 0.773 285 P CB 0.351 31.712 31.700 -0.565 0.000 0.772 286 G N -4.142 104.514 108.800 -0.240 0.000 3.211 286 G HA2 0.537 nan 3.960 nan 0.000 0.262 286 G HA3 0.537 nan 3.960 nan 0.000 0.262 286 G C -1.877 172.942 174.900 -0.135 0.000 1.352 286 G CA -1.657 43.351 45.100 -0.154 0.000 1.004 286 G HN -0.909 7.206 8.290 -0.212 0.048 0.559 287 V N -1.370 118.461 119.914 -0.138 0.000 2.769 287 V HA 0.441 nan 4.120 nan 0.000 0.312 287 V C -2.079 173.871 176.094 -0.241 0.000 1.061 287 V CA -1.290 60.897 62.300 -0.189 0.000 0.931 287 V CB 3.455 35.177 31.823 -0.169 0.000 1.010 287 V HN 0.088 8.209 8.190 -0.114 0.000 0.433 288 R N 3.004 123.242 120.500 -0.435 0.000 2.621 288 R HA 0.749 nan 4.340 nan 0.000 0.292 288 R C -1.809 174.158 176.300 -0.555 0.000 0.969 288 R CA -1.413 54.393 56.100 -0.490 0.000 0.887 288 R CB 3.797 33.753 30.300 -0.573 0.000 1.180 288 R HN 0.361 8.303 8.270 -0.547 0.000 0.450 289 c N 5.587 124.034 118.600 -0.254 0.000 2.455 289 c HA 0.717 nan 4.570 nan 0.000 0.320 289 c C -1.248 172.834 174.090 -0.014 0.000 1.226 289 c CA -1.368 54.890 56.329 -0.117 0.000 1.569 289 c CB 2.013 44.481 42.510 -0.070 0.000 2.200 289 c HN 0.253 8.379 8.230 -0.174 0.000 0.491 290 I N 3.402 124.017 120.570 0.075 0.000 2.355 290 I HA 0.471 nan 4.170 nan 0.000 0.288 290 I C -1.078 175.072 176.117 0.055 0.000 0.999 290 I CA -0.691 60.664 61.300 0.092 0.000 1.163 290 I CB 1.411 39.511 38.000 0.167 0.000 1.316 290 I HN 0.240 8.524 8.210 0.122 0.000 0.454 291 c N 8.015 126.617 118.600 0.002 0.000 2.924 291 c HA 0.805 nan 4.570 nan 0.000 0.399 291 c C -1.681 172.398 174.090 -0.019 0.000 1.795 291 c CA -2.505 53.817 56.329 -0.012 0.000 1.685 291 c CB 3.857 46.346 42.510 -0.035 0.000 2.218 291 c HN 0.373 8.592 8.230 -0.019 0.000 0.474 292 R N 0.143 120.639 120.500 -0.007 0.000 2.513 292 R HA 0.395 nan 4.340 nan 0.000 0.301 292 R C -2.589 173.773 176.300 0.104 0.000 0.968 292 R CA -0.973 55.142 56.100 0.024 0.000 0.872 292 R CB 2.940 33.242 30.300 0.004 0.000 1.177 292 R HN 0.627 8.792 8.270 -0.008 0.100 0.444 293 D N 6.079 126.566 120.400 0.146 0.000 2.349 293 D HA 0.217 nan 4.640 nan 0.000 0.232 293 D C -0.849 175.590 176.300 0.233 0.000 1.071 293 D CA -0.940 53.227 54.000 0.278 0.000 0.832 293 D CB 1.629 42.581 40.800 0.253 0.000 1.086 293 D HN 0.063 8.490 8.370 0.096 0.000 0.504 294 N N 6.366 125.223 118.700 0.262 0.000 2.373 294 N HA 0.068 nan 4.740 nan 0.000 0.181 294 N C -0.737 174.784 175.510 0.018 0.000 1.082 294 N CA 2.150 55.251 53.050 0.085 0.000 0.885 294 N CB 1.252 39.800 38.487 0.102 0.000 0.977 294 N HN 0.173 8.943 8.380 0.649 0.000 0.462 295 W N -0.192 120.917 121.300 -0.318 0.000 3.185 295 W HA 0.156 nan 4.660 nan 0.000 0.269 295 W C 0.101 176.562 176.519 -0.096 0.000 0.966 295 W CA 1.906 59.093 57.345 -0.264 0.000 2.064 295 W CB 0.905 30.131 29.460 -0.391 0.000 1.203 295 W HN -0.202 8.109 8.180 -0.021 -0.143 0.555 296 K N -2.878 117.539 120.400 0.029 0.000 2.358 296 K HA 0.240 nan 4.320 nan 0.000 0.200 296 K C -1.066 175.495 176.600 -0.065 0.000 1.030 296 K CA -0.290 55.866 56.287 -0.219 0.000 1.097 296 K CB 2.057 34.227 32.500 -0.550 0.000 0.862 296 K HN -0.485 8.001 8.250 0.197 -0.117 0.534 297 G N -3.255 105.586 108.800 0.067 0.000 2.617 297 G HA2 0.418 nan 3.960 nan 0.000 0.306 297 G HA3 0.418 nan 3.960 nan 0.000 0.306 297 G C -1.375 173.590 174.900 0.108 0.000 1.360 297 G CA -0.634 44.534 45.100 0.114 0.000 0.983 297 G HN -0.541 7.869 8.290 0.105 -0.057 0.496 298 S N 0.033 115.775 115.700 0.069 0.000 2.520 298 S HA 0.053 nan 4.470 nan 0.000 0.219 298 S C -0.058 174.581 174.600 0.065 0.000 1.028 298 S CA -0.039 58.194 58.200 0.056 0.000 0.921 298 S CB 1.658 64.872 63.200 0.022 0.000 0.844 298 S HN -0.212 8.356 8.310 0.034 -0.238 0.495 299 N N 1.992 120.746 118.700 0.090 0.000 2.416 299 N HA -0.241 nan 4.740 nan 0.000 0.246 299 N C -0.879 174.768 175.510 0.229 0.000 1.260 299 N CA -0.052 53.084 53.050 0.143 0.000 0.897 299 N CB 0.327 38.896 38.487 0.137 0.000 1.110 299 N HN -0.352 8.063 8.380 0.059 0.000 0.439 300 R N -1.143 119.440 120.500 0.139 0.000 2.486 300 R HA 0.452 nan 4.340 nan 0.000 0.286 300 R C -2.103 174.137 176.300 -0.099 0.000 0.999 300 R CA -2.507 53.611 56.100 0.032 0.000 0.993 300 R CB 1.291 31.593 30.300 0.002 0.000 1.084 300 R HN 0.343 8.682 8.270 0.115 0.000 0.487 301 P HA 0.372 nan 4.420 nan 0.000 0.276 301 P C -1.572 175.617 177.300 -0.185 0.000 1.261 301 P CA -0.524 62.276 63.100 -0.499 0.000 0.800 301 P CB 0.466 31.904 31.700 -0.437 0.000 1.066 302 V N -1.297 118.529 119.914 -0.147 0.000 2.789 302 V HA 0.544 nan 4.120 nan 0.000 0.311 302 V C -1.050 175.034 176.094 -0.017 0.000 1.073 302 V CA -0.652 61.645 62.300 -0.005 0.000 0.921 302 V CB 3.949 35.830 31.823 0.095 0.000 1.009 302 V HN 0.435 8.412 8.190 -0.235 0.072 0.426 303 V N 6.222 126.132 119.914 -0.006 0.000 2.516 303 V HA 0.283 nan 4.120 nan 0.000 0.271 303 V C -1.618 174.463 176.094 -0.021 0.000 0.992 303 V CA -0.758 61.532 62.300 -0.016 0.000 0.857 303 V CB 1.721 33.527 31.823 -0.030 0.000 1.047 303 V HN 0.335 8.525 8.190 -0.001 0.000 0.455 304 D N 7.715 128.116 120.400 0.003 0.000 2.308 304 D HA 0.511 nan 4.640 nan 0.000 0.251 304 D C -1.307 174.990 176.300 -0.005 0.000 1.127 304 D CA -0.016 53.980 54.000 -0.007 0.000 0.876 304 D CB 1.713 42.529 40.800 0.026 0.000 1.176 304 D HN 0.218 8.494 8.370 0.019 0.105 0.446 305 I N 3.815 124.369 120.570 -0.025 0.000 2.411 305 I HA 0.161 nan 4.170 nan 0.000 0.284 305 I C -2.019 174.097 176.117 -0.003 0.000 1.012 305 I CA -1.126 60.181 61.300 0.012 0.000 1.119 305 I CB 2.695 40.684 38.000 -0.018 0.000 1.261 305 I HN 0.204 8.379 8.210 -0.058 0.000 0.448 306 N N 7.621 126.325 118.700 0.006 0.000 2.411 306 N HA 0.166 nan 4.740 nan 0.000 0.259 306 N C -0.112 175.350 175.510 -0.079 0.000 1.103 306 N CA -0.148 52.867 53.050 -0.058 0.000 0.954 306 N CB 1.469 39.910 38.487 -0.077 0.000 1.085 306 N HN 0.157 8.558 8.380 0.035 0.000 0.485 307 M N 5.163 124.694 119.600 -0.114 0.000 2.476 307 M HA -0.177 nan 4.480 nan 0.000 0.262 307 M C 0.445 176.543 176.300 -0.336 0.000 1.079 307 M CA 0.943 56.171 55.300 -0.120 0.000 1.104 307 M CB -0.052 32.484 32.600 -0.107 0.000 1.409 307 M HN 0.125 8.338 8.290 -0.128 0.000 0.467 308 E N -2.484 117.517 120.200 -0.332 0.000 2.102 308 E HA -0.118 nan 4.350 nan 0.000 0.190 308 E C 1.138 177.450 176.600 -0.481 0.000 0.971 308 E CA 2.130 58.321 56.400 -0.347 0.000 0.821 308 E CB 0.453 30.030 29.700 -0.204 0.000 0.777 308 E HN -0.250 8.157 8.360 -0.263 -0.205 0.460 309 D N -4.447 115.692 120.400 -0.435 0.000 2.500 309 D HA 0.052 nan 4.640 nan 0.000 0.217 309 D C -0.077 176.065 176.300 -0.263 0.000 1.159 309 D CA -0.442 53.379 54.000 -0.299 0.000 0.828 309 D CB 0.528 41.261 40.800 -0.112 0.000 1.039 309 D HN -0.027 8.599 8.370 -0.331 -0.454 0.512 310 Y N -4.243 115.828 120.300 -0.382 0.000 4.929 310 Y HA -0.503 nan 4.550 nan 0.000 0.252 310 Y C -0.170 175.541 175.900 -0.316 0.000 0.950 310 Y CA 1.005 58.715 58.100 -0.650 0.000 1.935 310 Y CB -2.795 34.852 38.460 -1.356 0.000 1.440 310 Y HN -0.606 7.423 8.280 -0.622 -0.123 0.567 311 S N 0.053 115.712 115.700 -0.067 0.000 2.566 311 S HA -0.142 nan 4.470 nan 0.000 0.280 311 S C -0.912 173.706 174.600 0.030 0.000 1.343 311 S CA 2.679 60.870 58.200 -0.014 0.000 1.036 311 S CB 0.668 63.856 63.200 -0.020 0.000 0.866 311 S HN 0.029 8.560 8.310 -0.106 -0.285 0.526 312 I N 0.811 121.403 120.570 0.037 0.000 2.828 312 I HA 0.599 nan 4.170 nan 0.000 0.302 312 I C -1.647 174.489 176.117 0.032 0.000 1.101 312 I CA -2.722 58.606 61.300 0.048 0.000 1.031 312 I CB 3.063 41.100 38.000 0.062 0.000 1.231 312 I HN 0.103 8.329 8.210 0.026 0.000 0.427 313 D N 2.442 122.860 120.400 0.030 0.000 2.645 313 D HA 0.339 nan 4.640 nan 0.000 0.228 313 D C -2.087 174.231 176.300 0.031 0.000 1.148 313 D CA -1.632 52.387 54.000 0.032 0.000 0.860 313 D CB 3.772 44.592 40.800 0.033 0.000 1.548 313 D HN 0.510 8.789 8.370 0.029 0.107 0.460 314 S N 0.534 116.255 115.700 0.034 0.000 2.536 314 S HA 0.658 nan 4.470 nan 0.000 0.271 314 S C -1.539 173.086 174.600 0.043 0.000 1.134 314 S CA -0.971 57.244 58.200 0.025 0.000 0.897 314 S CB 2.641 65.849 63.200 0.012 0.000 1.094 314 S HN 0.055 8.388 8.310 0.039 0.000 0.473 315 S N 0.654 116.373 115.700 0.031 0.000 2.880 315 S HA 0.683 nan 4.470 nan 0.000 0.308 315 S C -1.937 172.714 174.600 0.085 0.000 1.195 315 S CA -1.388 56.873 58.200 0.101 0.000 0.866 315 S CB 2.409 65.642 63.200 0.054 0.000 1.254 315 S HN 0.382 8.575 8.310 -0.003 0.115 0.571 316 Y N -2.059 118.215 120.300 -0.044 0.000 2.549 316 Y HA 0.479 nan 4.550 nan 0.000 0.339 316 Y C 0.124 175.961 175.900 -0.105 0.000 1.053 316 Y CA -0.515 57.558 58.100 -0.044 0.000 1.105 316 Y CB 2.566 41.002 38.460 -0.040 0.000 1.258 316 Y HN -0.588 7.773 8.280 0.306 0.103 0.478 317 V N -2.472 117.488 119.914 0.077 0.000 2.599 317 V HA -0.024 nan 4.120 nan 0.000 0.300 317 V C 0.648 176.693 176.094 -0.081 0.000 1.034 317 V CA 0.033 62.312 62.300 -0.036 0.000 1.115 317 V CB -1.004 30.854 31.823 0.059 0.000 0.934 317 V HN 0.444 8.701 8.190 0.111 0.000 0.485 318 c N 5.705 124.178 118.600 -0.212 0.000 2.413 318 c HA -0.277 nan 4.570 nan 0.000 0.276 318 c C 0.908 174.944 174.090 -0.090 0.000 1.248 318 c CA 2.195 58.422 56.329 -0.170 0.000 1.742 318 c CB -1.344 41.021 42.510 -0.242 0.000 2.017 318 c HN 1.048 9.045 8.230 -0.388 0.000 0.481 319 S N -0.063 115.603 115.700 -0.056 0.000 2.558 319 S HA -0.247 nan 4.470 nan 0.000 0.293 319 S C 0.819 175.402 174.600 -0.027 0.000 1.292 319 S CA 0.882 59.065 58.200 -0.027 0.000 1.063 319 S CB 0.711 63.917 63.200 0.010 0.000 0.831 319 S HN -0.565 7.711 8.310 -0.056 0.000 0.499 320 G N 3.283 112.062 108.800 -0.035 0.000 3.042 320 G HA2 0.175 nan 3.960 nan 0.000 0.212 320 G HA3 0.175 nan 3.960 nan 0.000 0.212 320 G C -0.177 174.704 174.900 -0.032 0.000 1.166 320 G CA -0.182 44.894 45.100 -0.039 0.000 0.767 320 G HN 0.301 8.401 8.290 -0.040 0.165 0.546 321 L N -0.020 121.193 121.223 -0.017 0.000 2.044 321 L HA -0.102 nan 4.340 nan 0.000 0.205 321 L C 0.155 177.043 176.870 0.029 0.000 1.075 321 L CA 2.098 56.939 54.840 0.002 0.000 0.747 321 L CB 0.601 42.687 42.059 0.044 0.000 0.903 321 L HN -0.678 7.470 8.230 -0.011 0.075 0.435 322 V N -3.974 115.958 119.914 0.029 0.000 3.393 322 V HA -0.200 nan 4.120 nan 0.000 0.487 322 V C -0.457 175.630 176.094 -0.011 0.000 0.682 322 V CA 0.509 62.813 62.300 0.007 0.000 2.033 322 V CB 0.082 31.905 31.823 0.000 0.000 2.477 322 V HN -0.667 7.546 8.190 0.038 0.000 0.503 323 G N 2.744 111.524 108.800 -0.033 0.000 2.939 323 G HA2 0.134 nan 3.960 nan 0.000 0.216 323 G HA3 0.134 nan 3.960 nan 0.000 0.216 323 G C -1.243 173.610 174.900 -0.078 0.000 1.125 323 G CA 0.025 45.070 45.100 -0.091 0.000 0.766 323 G HN 0.365 8.650 8.290 -0.009 0.000 0.541 324 D N 0.316 120.698 120.400 -0.029 0.000 2.388 324 D HA 0.220 nan 4.640 nan 0.000 0.254 324 D C -1.610 174.687 176.300 -0.005 0.000 1.111 324 D CA -0.176 53.817 54.000 -0.011 0.000 0.993 324 D CB 3.177 43.989 40.800 0.019 0.000 1.118 324 D HN -0.669 7.693 8.370 -0.014 0.000 0.502 325 T N 1.159 115.721 114.554 0.012 0.000 2.848 325 T HA 0.413 nan 4.350 nan 0.000 0.285 325 T C -2.287 172.436 174.700 0.038 0.000 0.995 325 T CA -3.513 58.602 62.100 0.026 0.000 0.970 325 T CB 1.998 70.889 68.868 0.038 0.000 0.976 325 T HN 0.035 8.283 8.240 0.013 0.000 0.441 326 P HA 0.397 nan 4.420 nan 0.000 0.274 326 P C -1.854 175.456 177.300 0.017 0.000 1.237 326 P CA -0.542 62.573 63.100 0.026 0.000 0.793 326 P CB 0.796 32.511 31.700 0.025 0.000 0.977 327 R N -1.664 118.842 120.500 0.010 0.000 2.844 327 R HA 0.345 nan 4.340 nan 0.000 0.264 327 R C -0.675 175.623 176.300 -0.003 0.000 1.077 327 R CA -1.335 54.767 56.100 0.003 0.000 0.953 327 R CB 1.518 31.818 30.300 -0.000 0.000 1.272 327 R HN -0.035 8.241 8.270 0.010 0.000 0.447 328 N N -1.357 117.337 118.700 -0.010 0.000 2.415 328 N HA -0.097 nan 4.740 nan 0.000 0.174 328 N C -1.474 174.025 175.510 -0.017 0.000 1.048 328 N CA 0.489 53.530 53.050 -0.015 0.000 0.895 328 N CB 1.142 39.616 38.487 -0.021 0.000 1.036 328 N HN 0.347 8.720 8.380 -0.011 0.000 0.449 329 D N -6.184 114.205 120.400 -0.019 0.000 10.686 329 D HA -0.140 nan 4.640 nan 0.000 0.307 329 D C -0.985 175.295 176.300 -0.033 0.000 3.131 329 D CA 0.181 54.166 54.000 -0.024 0.000 2.839 329 D CB 0.121 40.908 40.800 -0.021 0.000 1.208 329 D HN -0.690 7.669 8.370 -0.018 0.000 0.940 330 D N 0.324 120.699 120.400 -0.041 0.000 2.363 330 D HA -0.218 nan 4.640 nan 0.000 0.220 330 D C 0.923 177.190 176.300 -0.054 0.000 0.994 330 D CA 1.467 55.435 54.000 -0.053 0.000 0.890 330 D CB -0.399 40.355 40.800 -0.076 0.000 0.906 330 D HN 0.291 8.636 8.370 -0.041 0.000 0.530 331 R N 0.712 121.184 120.500 -0.047 0.000 2.061 331 R HA -0.185 nan 4.340 nan 0.000 0.230 331 R C 1.789 178.065 176.300 -0.040 0.000 1.140 331 R CA 2.226 58.301 56.100 -0.043 0.000 0.940 331 R CB 0.052 30.330 30.300 -0.036 0.000 0.839 331 R HN -0.051 8.441 8.270 -0.044 -0.249 0.429 332 S N -1.166 114.513 115.700 -0.036 0.000 2.526 332 S HA 0.134 nan 4.470 nan 0.000 0.247 332 S C -0.967 173.611 174.600 -0.037 0.000 1.076 332 S CA -0.400 57.779 58.200 -0.035 0.000 1.105 332 S CB -0.616 62.565 63.200 -0.031 0.000 0.793 332 S HN -0.134 8.084 8.310 -0.034 0.072 0.458 333 S N 1.954 117.630 115.700 -0.040 0.000 2.621 333 S HA 0.221 nan 4.470 nan 0.000 0.302 333 S C -1.381 173.192 174.600 -0.046 0.000 1.093 333 S CA -0.936 57.240 58.200 -0.039 0.000 1.017 333 S CB 2.275 65.454 63.200 -0.036 0.000 1.077 333 S HN -0.754 7.460 8.310 -0.042 0.071 0.517 334 N N 0.735 119.406 118.700 -0.048 0.000 2.504 334 N HA 0.239 nan 4.740 nan 0.000 0.268 334 N C -2.662 172.809 175.510 -0.065 0.000 1.184 334 N CA 0.414 53.429 53.050 -0.059 0.000 0.875 334 N CB 4.538 42.985 38.487 -0.067 0.000 1.630 334 N HN -0.380 8.007 8.380 -0.044 -0.033 0.486 335 S N 0.323 115.979 115.700 -0.073 0.000 2.543 335 S HA 0.219 nan 4.470 nan 0.000 0.274 335 S C -2.046 172.497 174.600 -0.096 0.000 1.149 335 S CA -0.769 57.378 58.200 -0.089 0.000 0.866 335 S CB 1.645 64.812 63.200 -0.056 0.000 1.111 335 S HN 0.282 8.550 8.310 -0.069 0.000 0.457 336 N N 3.310 121.938 118.700 -0.120 0.000 2.187 336 N HA 0.151 nan 4.740 nan 0.000 0.212 336 N C 0.190 175.635 175.510 -0.107 0.000 1.152 336 N CA -0.315 52.670 53.050 -0.109 0.000 0.872 336 N CB -0.037 38.383 38.487 -0.111 0.000 1.025 336 N HN 0.433 8.721 8.380 -0.154 0.000 0.514 337 c N -4.552 113.989 118.600 -0.098 0.000 4.593 337 c HA -0.375 nan 4.570 nan 0.000 0.263 337 c C 0.807 174.884 174.090 -0.022 0.000 1.378 337 c CA 1.302 57.586 56.329 -0.075 0.000 1.666 337 c CB -2.670 39.753 42.510 -0.145 0.000 1.603 337 c HN 0.050 8.155 8.230 -0.093 0.069 0.704 338 R N -1.385 119.074 120.500 -0.069 0.000 2.302 338 R HA 0.193 nan 4.340 nan 0.000 0.187 338 R C -1.051 175.189 176.300 -0.101 0.000 0.904 338 R CA 1.118 57.193 56.100 -0.042 0.000 1.105 338 R CB 2.372 32.632 30.300 -0.067 0.000 1.239 338 R HN -0.390 7.963 8.270 -0.136 -0.165 0.620 339 D N -1.589 118.611 120.400 -0.334 0.000 2.490 339 D HA 0.583 nan 4.640 nan 0.000 0.232 339 D C -2.373 173.357 176.300 -0.949 0.000 1.053 339 D CA -2.291 51.441 54.000 -0.446 0.000 0.914 339 D CB 0.991 41.642 40.800 -0.249 0.000 1.431 339 D HN -0.502 7.946 8.370 -0.335 -0.279 0.483 340 P HA 0.028 nan 4.420 nan 0.000 0.272 340 P C -1.427 175.637 177.300 -0.393 0.000 1.254 340 P CA 0.165 62.875 63.100 -0.650 0.000 0.795 340 P CB 0.700 32.270 31.700 -0.217 0.000 1.022 341 N N -1.540 117.013 118.700 -0.245 0.000 2.171 341 N HA -0.059 nan 4.740 nan 0.000 0.212 341 N C 0.743 176.174 175.510 -0.132 0.000 1.184 341 N CA -0.519 52.424 53.050 -0.178 0.000 0.888 341 N CB 1.293 39.700 38.487 -0.134 0.000 1.038 341 N HN -0.354 7.966 8.380 -0.176 -0.046 0.517 342 N N -0.819 117.801 118.700 -0.133 0.000 2.686 342 N HA -0.386 nan 4.740 nan 0.000 0.261 342 N C -1.048 174.417 175.510 -0.075 0.000 1.001 342 N CA 1.566 54.548 53.050 -0.112 0.000 0.764 342 N CB -2.652 35.758 38.487 -0.128 0.000 0.898 342 N HN -0.097 8.190 8.380 -0.154 0.000 0.544 343 E N 0.113 120.280 120.200 -0.055 0.000 2.331 343 E HA 0.172 nan 4.350 nan 0.000 0.243 343 E C -0.954 175.634 176.600 -0.020 0.000 0.925 343 E CA -1.551 54.826 56.400 -0.038 0.000 0.760 343 E CB 1.359 31.035 29.700 -0.039 0.000 1.254 343 E HN 0.095 8.697 8.360 -0.055 -0.275 0.419 344 R N 1.698 122.188 120.500 -0.015 0.000 3.225 344 R HA -0.285 nan 4.340 nan 0.000 0.245 344 R C -0.418 175.887 176.300 0.008 0.000 0.928 344 R CA 0.638 56.737 56.100 -0.001 0.000 0.632 344 R CB -2.314 27.988 30.300 0.003 0.000 1.038 344 R HN 0.761 9.019 8.270 -0.020 0.000 0.461 345 G N -3.124 105.675 108.800 -0.001 0.000 2.712 345 G HA2 -0.191 nan 3.960 nan 0.000 0.212 345 G HA3 -0.191 nan 3.960 nan 0.000 0.212 345 G C -0.004 174.920 174.900 0.040 0.000 1.142 345 G CA 0.550 45.653 45.100 0.004 0.000 0.789 345 G HN 0.090 8.374 8.290 -0.010 0.000 0.535 346 T N -2.303 112.282 114.554 0.051 0.000 5.323 346 T HA -0.070 nan 4.350 nan 0.000 0.341 346 T C 0.399 175.141 174.700 0.070 0.000 0.998 346 T CA 0.097 62.245 62.100 0.080 0.000 1.043 346 T CB 0.223 69.143 68.868 0.087 0.000 1.660 346 T HN -0.406 7.818 8.240 0.037 0.038 0.395 347 Q N 1.123 120.962 119.800 0.064 0.000 2.552 347 Q HA -0.331 nan 4.340 nan 0.000 0.518 347 Q C 0.466 176.511 176.000 0.075 0.000 0.597 347 Q CA 1.636 57.480 55.803 0.068 0.000 0.957 347 Q CB 0.016 28.792 28.738 0.062 0.000 2.485 347 Q HN 0.426 8.732 8.270 0.059 0.000 1.057 348 G N -5.858 102.984 108.800 0.070 0.000 2.352 348 G HA2 -0.066 nan 3.960 nan 0.000 0.283 348 G HA3 -0.066 nan 3.960 nan 0.000 0.283 348 G C -3.053 171.873 174.900 0.043 0.000 1.308 348 G CA -0.509 44.624 45.100 0.055 0.000 0.892 348 G HN -0.351 7.983 8.290 0.074 0.000 0.504 349 V N -1.833 118.075 119.914 -0.010 0.000 3.120 349 V HA 0.347 nan 4.120 nan 0.000 0.303 349 V C -2.276 173.683 176.094 -0.226 0.000 1.238 349 V CA -2.030 60.212 62.300 -0.097 0.000 1.008 349 V CB 4.282 36.109 31.823 0.008 0.000 1.064 349 V HN -0.244 8.100 8.190 -0.012 -0.162 0.434 350 K N 4.646 124.699 120.400 -0.579 0.000 2.451 350 K HA -0.021 nan 4.320 nan 0.000 0.280 350 K C -1.228 175.290 176.600 -0.136 0.000 1.020 350 K CA 1.276 57.315 56.287 -0.414 0.000 1.008 350 K CB 0.871 32.985 32.500 -0.645 0.000 0.917 350 K HN 0.312 7.898 8.250 -1.108 0.000 0.478 351 G N 2.047 110.833 108.800 -0.022 0.000 2.663 351 G HA2 0.313 nan 3.960 nan 0.000 0.299 351 G HA3 0.313 nan 3.960 nan 0.000 0.299 351 G C -2.685 172.268 174.900 0.088 0.000 1.372 351 G CA -0.951 44.172 45.100 0.040 0.000 0.781 351 G HN -0.180 8.094 8.290 -0.027 0.000 0.491 352 W N -4.617 116.681 121.300 -0.004 0.000 3.042 352 W HA 0.578 nan 4.660 nan 0.000 0.342 352 W C -2.727 173.828 176.519 0.060 0.000 1.240 352 W CA -2.113 55.255 57.345 0.038 0.000 1.166 352 W CB 2.299 31.772 29.460 0.022 0.000 1.469 352 W HN 0.171 8.048 8.180 -0.504 0.000 0.579 353 A N -1.220 121.716 122.820 0.193 0.000 2.564 353 A HA 0.737 nan 4.320 nan 0.000 0.291 353 A C -2.554 175.373 177.584 0.571 0.000 1.102 353 A CA -0.032 52.085 52.037 0.135 0.000 0.660 353 A CB 2.993 21.985 19.000 -0.013 0.000 1.283 353 A HN 0.000 8.416 8.150 0.442 0.000 0.430 354 F N -4.561 115.530 119.950 0.236 0.000 2.669 354 F HA 0.432 nan 4.527 nan 0.000 0.315 354 F C -2.473 173.364 175.800 0.062 0.000 1.109 354 F CA -0.607 57.487 58.000 0.156 0.000 1.028 354 F CB 2.790 41.684 39.000 -0.176 0.000 1.287 354 F HN 0.155 8.514 8.300 0.099 0.000 0.452 355 D N 1.904 122.246 120.400 -0.096 0.000 2.362 355 D HA -0.015 nan 4.640 nan 0.000 0.242 355 D C -1.115 175.138 176.300 -0.078 0.000 1.132 355 D CA -0.107 53.664 54.000 -0.383 0.000 0.907 355 D CB 0.589 40.611 40.800 -1.298 0.000 1.195 355 D HN -0.126 8.244 8.370 0.000 0.000 0.429 356 N N 1.837 120.515 118.700 -0.036 0.000 2.577 356 N HA 0.115 nan 4.740 nan 0.000 0.275 356 N C 0.347 175.894 175.510 0.061 0.000 1.091 356 N CA -0.104 52.995 53.050 0.082 0.000 0.843 356 N CB 1.789 40.402 38.487 0.211 0.000 1.295 356 N HN 0.330 8.563 8.380 -0.043 0.121 0.530 357 G N 8.643 117.472 108.800 0.049 0.000 2.952 357 G HA2 -0.508 nan 3.960 nan 0.000 0.346 357 G HA3 -0.508 nan 3.960 nan 0.000 0.346 357 G C -0.598 174.377 174.900 0.124 0.000 1.191 357 G CA 1.937 47.081 45.100 0.073 0.000 0.961 357 G HN 0.741 9.057 8.290 0.043 0.000 0.588 358 N N 3.526 122.315 118.700 0.149 0.000 2.250 358 N HA 0.259 nan 4.740 nan 0.000 0.190 358 N C -0.979 174.673 175.510 0.237 0.000 1.116 358 N CA 0.045 53.231 53.050 0.226 0.000 0.881 358 N CB 1.917 40.481 38.487 0.129 0.000 1.006 358 N HN -0.158 8.273 8.380 0.104 0.011 0.491 359 D N -0.582 119.898 120.400 0.133 0.000 2.387 359 D HA 0.499 nan 4.640 nan 0.000 0.255 359 D C -1.889 174.432 176.300 0.034 0.000 1.081 359 D CA 0.248 54.272 54.000 0.039 0.000 0.994 359 D CB 2.711 43.460 40.800 -0.084 0.000 1.127 359 D HN -0.097 8.159 8.370 0.101 0.174 0.513 360 L N 0.289 121.464 121.223 -0.081 0.000 2.406 360 L HA 0.510 nan 4.340 nan 0.000 0.272 360 L C -2.400 174.292 176.870 -0.297 0.000 0.980 360 L CA -0.281 54.505 54.840 -0.090 0.000 0.831 360 L CB 3.783 45.892 42.059 0.083 0.000 1.253 360 L HN -0.081 8.062 8.230 -0.146 0.000 0.406 361 W N 6.515 127.571 121.300 -0.407 0.000 2.365 361 W HA 0.551 nan 4.660 nan 0.000 0.316 361 W C -1.145 175.114 176.519 -0.434 0.000 1.164 361 W CA -0.403 56.714 57.345 -0.379 0.000 1.204 361 W CB 1.326 30.503 29.460 -0.472 0.000 1.213 361 W HN 0.115 8.095 8.180 -0.334 0.000 0.539 362 M N -1.296 118.091 119.600 -0.357 0.000 2.520 362 M HA 0.759 nan 4.480 nan 0.000 0.280 362 M C -2.299 173.355 176.300 -1.076 0.000 1.232 362 M CA -0.667 54.118 55.300 -0.858 0.000 0.892 362 M CB 4.433 36.645 32.600 -0.647 0.000 1.728 362 M HN 0.451 8.574 8.290 -0.278 0.000 0.475 363 G N -1.832 106.150 108.800 -1.364 0.000 2.600 363 G HA2 0.928 nan 3.960 nan 0.000 0.303 363 G HA3 0.928 nan 3.960 nan 0.000 0.303 363 G C -2.040 172.255 174.900 -1.008 0.000 1.253 363 G CA -1.395 43.096 45.100 -1.015 0.000 0.974 363 G HN -0.075 7.096 8.290 -1.865 0.000 0.483 364 R N -3.143 116.642 120.500 -1.191 0.000 2.780 364 R HA 0.441 nan 4.340 nan 0.000 0.280 364 R C -1.134 174.740 176.300 -0.710 0.000 1.016 364 R CA -0.828 54.816 56.100 -0.759 0.000 0.854 364 R CB 2.137 32.206 30.300 -0.384 0.000 1.293 364 R HN 0.725 8.172 8.270 -1.371 0.000 0.483 365 T N -4.391 110.006 114.554 -0.262 0.000 2.903 365 T HA 0.166 nan 4.350 nan 0.000 0.314 365 T C 1.250 175.912 174.700 -0.064 0.000 1.078 365 T CA -0.008 62.052 62.100 -0.068 0.000 1.114 365 T CB 0.188 69.082 68.868 0.043 0.000 0.987 365 T HN 0.479 8.622 8.240 -0.161 0.000 0.548 366 I N 1.169 121.744 120.570 0.007 0.000 2.500 366 I HA -0.220 nan 4.170 nan 0.000 0.252 366 I C 0.038 176.169 176.117 0.024 0.000 1.142 366 I CA 2.176 63.489 61.300 0.022 0.000 1.451 366 I CB 0.446 38.479 38.000 0.054 0.000 1.093 366 I HN -0.028 8.103 8.210 0.054 0.110 0.430 367 S N -0.991 114.728 115.700 0.032 0.000 2.523 367 S HA 0.049 nan 4.470 nan 0.000 0.275 367 S C 1.273 175.885 174.600 0.020 0.000 1.281 367 S CA -0.706 57.511 58.200 0.029 0.000 1.050 367 S CB 0.613 63.837 63.200 0.039 0.000 0.937 367 S HN -0.529 7.791 8.310 0.045 0.017 0.492 368 K N 6.723 127.131 120.400 0.013 0.000 2.288 368 K HA -0.136 nan 4.320 nan 0.000 0.201 368 K C 0.563 177.173 176.600 0.016 0.000 1.048 368 K CA 2.570 58.863 56.287 0.010 0.000 0.956 368 K CB -0.128 32.374 32.500 0.003 0.000 0.746 368 K HN 0.783 9.040 8.250 0.012 0.000 0.461 369 D N -0.037 120.375 120.400 0.020 0.000 2.584 369 D HA 0.025 nan 4.640 nan 0.000 0.254 369 D C 0.692 177.011 176.300 0.033 0.000 1.085 369 D CA 2.074 56.088 54.000 0.023 0.000 0.971 369 D CB 0.938 41.749 40.800 0.018 0.000 1.103 369 D HN -0.342 7.979 8.370 0.021 0.061 0.453 370 L N -1.708 119.537 121.223 0.037 0.000 2.469 370 L HA 0.201 nan 4.340 nan 0.000 0.253 370 L C 0.505 177.415 176.870 0.067 0.000 1.143 370 L CA -1.283 53.586 54.840 0.049 0.000 0.804 370 L CB 0.442 42.527 42.059 0.044 0.000 1.214 370 L HN -0.340 7.910 8.230 0.033 0.000 0.476 371 R N 1.878 122.429 120.500 0.086 0.000 4.680 371 R HA -0.012 nan 4.340 nan 0.000 0.222 371 R C -1.072 175.305 176.300 0.128 0.000 1.803 371 R CA -0.090 56.081 56.100 0.119 0.000 1.560 371 R CB -1.171 29.216 30.300 0.145 0.000 1.412 371 R HN 0.494 8.811 8.270 0.080 0.000 0.815 372 S N 0.136 115.902 115.700 0.110 0.000 2.513 372 S HA 0.600 nan 4.470 nan 0.000 0.299 372 S C -1.140 173.536 174.600 0.125 0.000 1.087 372 S CA -0.279 57.989 58.200 0.112 0.000 1.012 372 S CB 3.038 66.287 63.200 0.081 0.000 1.044 372 S HN -0.276 8.026 8.310 0.093 0.063 0.485 373 G N 4.449 113.340 108.800 0.152 0.000 2.856 373 G HA2 -0.376 nan 3.960 nan 0.000 0.674 373 G HA3 -0.376 nan 3.960 nan 0.000 0.674 373 G C -3.085 171.968 174.900 0.255 0.000 1.519 373 G CA 0.004 45.209 45.100 0.174 0.000 0.940 373 G HN 0.645 9.025 8.290 0.150 0.000 0.564 374 Y N 1.041 121.408 120.300 0.111 0.000 2.513 374 Y HA 0.551 nan 4.550 nan 0.000 0.340 374 Y C -2.561 173.394 175.900 0.091 0.000 1.055 374 Y CA -1.288 56.869 58.100 0.095 0.000 1.020 374 Y CB 4.422 42.955 38.460 0.121 0.000 1.301 374 Y HN 0.002 8.343 8.280 0.281 0.108 0.453 375 E N 2.466 122.537 120.200 -0.215 0.000 2.331 375 E HA 0.690 nan 4.350 nan 0.000 0.275 375 E C -2.188 174.268 176.600 -0.241 0.000 0.895 375 E CA -1.973 54.395 56.400 -0.053 0.000 0.753 375 E CB 4.258 33.982 29.700 0.041 0.000 1.216 375 E HN 0.822 8.713 8.360 -0.782 0.000 0.434 376 T N -2.981 111.567 114.554 -0.010 0.000 2.940 376 T HA 1.041 nan 4.350 nan 0.000 0.288 376 T C -1.506 173.231 174.700 0.062 0.000 1.033 376 T CA -2.700 59.346 62.100 -0.089 0.000 1.033 376 T CB 2.358 71.393 68.868 0.277 0.000 1.079 376 T HN 0.741 9.068 8.240 0.144 0.000 0.496 377 F N -4.688 115.349 119.950 0.145 0.000 2.807 377 F HA 0.625 nan 4.527 nan 0.000 0.316 377 F C -2.943 172.809 175.800 -0.080 0.000 1.162 377 F CA -1.273 56.773 58.000 0.078 0.000 0.910 377 F CB 2.089 41.075 39.000 -0.024 0.000 1.314 377 F HN 0.533 8.459 8.300 -0.623 0.000 0.454 378 K N 0.003 120.349 120.400 -0.089 0.000 2.185 378 K HA 0.614 nan 4.320 nan 0.000 0.269 378 K C -1.156 175.360 176.600 -0.140 0.000 0.987 378 K CA -1.780 54.186 56.287 -0.534 0.000 0.865 378 K CB 2.232 33.953 32.500 -1.299 0.000 1.090 378 K HN 0.002 8.252 8.250 0.000 0.000 0.450 379 V N 6.971 126.827 119.914 -0.098 0.000 2.383 379 V HA 0.495 nan 4.120 nan 0.000 0.275 379 V C -0.239 175.780 176.094 -0.124 0.000 1.036 379 V CA -1.086 61.174 62.300 -0.067 0.000 0.889 379 V CB 0.116 31.945 31.823 0.011 0.000 0.985 379 V HN 0.670 8.779 8.190 -0.136 0.000 0.459 380 I N 6.418 126.920 120.570 -0.115 0.000 2.533 380 I HA -0.181 nan 4.170 nan 0.000 0.284 380 I C 1.205 177.293 176.117 -0.049 0.000 1.109 380 I CA -0.718 60.529 61.300 -0.088 0.000 1.412 380 I CB -1.903 36.051 38.000 -0.077 0.000 1.396 380 I HN 0.781 8.919 8.210 -0.120 0.000 0.543 381 G N 5.724 114.513 108.800 -0.019 0.000 2.212 381 G HA2 -0.408 nan 3.960 nan 0.000 0.266 381 G HA3 -0.408 nan 3.960 nan 0.000 0.266 381 G C 0.911 175.819 174.900 0.013 0.000 0.978 381 G CA 0.966 46.068 45.100 0.003 0.000 0.632 381 G HN 0.674 9.257 8.290 -0.017 -0.304 0.537 382 G N 0.297 109.107 108.800 0.017 0.000 2.517 382 G HA2 -0.353 nan 3.960 nan 0.000 0.222 382 G HA3 -0.353 nan 3.960 nan 0.000 0.222 382 G C 0.011 174.956 174.900 0.074 0.000 1.109 382 G CA 1.686 46.805 45.100 0.032 0.000 0.746 382 G HN -0.474 7.613 8.290 -0.007 0.200 0.576 383 W N -0.240 121.046 121.300 -0.025 0.000 2.480 383 W HA -0.036 nan 4.660 nan 0.000 0.299 383 W C 0.861 177.385 176.519 0.009 0.000 1.187 383 W CA 2.430 59.777 57.345 0.003 0.000 1.347 383 W CB 0.734 30.205 29.460 0.018 0.000 1.121 383 W HN -0.486 7.792 8.180 0.235 0.043 0.533 384 S N -3.303 112.335 115.700 -0.104 0.000 2.470 384 S HA 0.019 nan 4.470 nan 0.000 0.222 384 S C 0.075 174.599 174.600 -0.127 0.000 1.024 384 S CA 1.939 60.061 58.200 -0.131 0.000 0.931 384 S CB 1.388 64.600 63.200 0.020 0.000 0.791 384 S HN -0.767 7.573 8.310 0.051 0.000 0.513 385 T N 0.567 115.063 114.554 -0.098 0.000 2.841 385 T HA 0.574 nan 4.350 nan 0.000 0.283 385 T C -2.489 172.160 174.700 -0.086 0.000 1.000 385 T CA -2.439 59.614 62.100 -0.079 0.000 0.977 385 T CB 1.798 70.637 68.868 -0.047 0.000 0.979 385 T HN -0.308 7.881 8.240 -0.085 0.000 0.446 386 P HA 0.063 nan 4.420 nan 0.000 0.263 386 P C -1.545 175.708 177.300 -0.079 0.000 1.386 386 P CA 0.372 63.417 63.100 -0.090 0.000 0.797 386 P CB -0.734 30.918 31.700 -0.081 0.000 1.381 387 N N -4.583 114.075 118.700 -0.070 0.000 2.183 387 N HA -0.030 nan 4.740 nan 0.000 0.214 387 N C -1.081 174.395 175.510 -0.057 0.000 1.441 387 N CA 0.172 53.184 53.050 -0.062 0.000 1.255 387 N CB 1.400 39.851 38.487 -0.061 0.000 1.072 387 N HN -0.148 8.073 8.380 -0.069 0.118 0.650 388 S N 2.195 117.862 115.700 -0.055 0.000 2.702 388 S HA -0.202 nan 4.470 nan 0.000 0.314 388 S C -0.057 174.508 174.600 -0.058 0.000 1.244 388 S CA 1.760 59.929 58.200 -0.053 0.000 1.058 388 S CB 0.456 63.628 63.200 -0.046 0.000 0.783 388 S HN -0.383 7.892 8.310 -0.058 0.000 0.503 389 K N 4.564 124.922 120.400 -0.069 0.000 2.618 389 K HA 0.102 nan 4.320 nan 0.000 0.207 389 K C -0.526 176.005 176.600 -0.114 0.000 1.058 389 K CA -0.974 55.258 56.287 -0.091 0.000 1.086 389 K CB 0.371 32.819 32.500 -0.086 0.000 0.827 389 K HN 0.348 8.559 8.250 -0.065 0.000 0.481 390 S N 2.356 117.995 115.700 -0.101 0.000 2.473 390 S HA 0.043 nan 4.470 nan 0.000 0.312 390 S C -1.989 172.529 174.600 -0.137 0.000 1.087 390 S CA -0.147 57.988 58.200 -0.109 0.000 1.077 390 S CB 0.272 63.424 63.200 -0.081 0.000 1.065 390 S HN 0.103 8.292 8.310 -0.083 0.071 0.510 391 Q N 5.373 125.057 119.800 -0.193 0.000 2.290 391 Q HA 0.660 nan 4.340 nan 0.000 0.259 391 Q C -1.239 174.663 176.000 -0.163 0.000 0.941 391 Q CA -0.984 54.678 55.803 -0.234 0.000 0.912 391 Q CB 1.712 30.127 28.738 -0.538 0.000 1.244 391 Q HN -0.084 8.066 8.270 -0.200 0.000 0.441 392 I N 4.460 124.959 120.570 -0.119 0.000 3.540 392 I HA 0.375 nan 4.170 nan 0.000 0.288 392 I C -0.721 175.396 176.117 -0.000 0.000 1.169 392 I CA -2.068 59.192 61.300 -0.066 0.000 1.038 392 I CB 3.493 41.447 38.000 -0.076 0.000 1.338 392 I HN 0.796 8.827 8.210 -0.135 0.098 0.507 393 N N -1.778 116.966 118.700 0.072 0.000 2.693 393 N HA -0.398 nan 4.740 nan 0.000 0.250 393 N C -0.699 175.008 175.510 0.329 0.000 1.033 393 N CA 0.854 54.041 53.050 0.229 0.000 0.747 393 N CB -1.461 37.221 38.487 0.326 0.000 0.964 393 N HN 0.298 8.711 8.380 0.056 0.000 0.540 394 R N -1.623 119.037 120.500 0.267 0.000 2.861 394 R HA -0.179 nan 4.340 nan 0.000 0.268 394 R C -1.326 175.177 176.300 0.338 0.000 1.027 394 R CA 1.301 57.595 56.100 0.324 0.000 1.163 394 R CB 0.707 31.139 30.300 0.220 0.000 1.060 394 R HN -0.200 8.150 8.270 0.179 0.028 0.483 395 Q N -0.420 119.570 119.800 0.316 0.000 2.327 395 Q HA 0.172 nan 4.340 nan 0.000 0.265 395 Q C -1.867 174.279 176.000 0.244 0.000 0.993 395 Q CA -0.423 55.553 55.803 0.289 0.000 0.885 395 Q CB 4.494 33.401 28.738 0.283 0.000 1.379 395 Q HN 0.527 8.902 8.270 0.324 0.089 0.408 396 V N 5.086 125.141 119.914 0.234 0.000 2.353 396 V HA 0.238 nan 4.120 nan 0.000 0.264 396 V C -0.457 175.797 176.094 0.267 0.000 1.049 396 V CA 0.212 62.642 62.300 0.217 0.000 0.896 396 V CB -0.746 31.182 31.823 0.175 0.000 1.025 396 V HN 0.660 8.996 8.190 0.244 0.000 0.475 397 I N 6.813 127.544 120.570 0.267 0.000 2.585 397 I HA 0.117 nan 4.170 nan 0.000 0.254 397 I C -0.561 175.783 176.117 0.379 0.000 1.129 397 I CA 0.205 61.663 61.300 0.264 0.000 1.455 397 I CB 0.544 38.602 38.000 0.096 0.000 1.111 397 I HN 0.035 8.407 8.210 0.270 0.000 0.433 398 V N -1.951 118.155 119.914 0.320 0.000 2.709 398 V HA 0.245 nan 4.120 nan 0.000 0.308 398 V C -1.353 174.865 176.094 0.206 0.000 1.062 398 V CA -2.459 60.006 62.300 0.275 0.000 0.901 398 V CB 2.891 34.874 31.823 0.266 0.000 1.003 398 V HN -0.479 7.904 8.190 0.321 0.000 0.425 399 D N 4.261 124.756 120.400 0.158 0.000 2.362 399 D HA -0.006 nan 4.640 nan 0.000 0.242 399 D C 0.825 177.188 176.300 0.105 0.000 1.132 399 D CA 0.276 54.346 54.000 0.115 0.000 0.907 399 D CB 1.693 42.541 40.800 0.080 0.000 1.195 399 D HN -0.315 8.149 8.370 0.156 0.000 0.429 400 S N 0.193 115.943 115.700 0.085 0.000 2.399 400 S HA -0.396 nan 4.470 nan 0.000 0.235 400 S C 0.644 175.282 174.600 0.064 0.000 1.063 400 S CA 2.966 61.208 58.200 0.070 0.000 1.070 400 S CB -0.108 63.123 63.200 0.052 0.000 0.904 400 S HN 0.428 8.787 8.310 0.083 0.000 0.456 401 D N -1.226 119.208 120.400 0.058 0.000 2.324 401 D HA 0.091 nan 4.640 nan 0.000 0.235 401 D C -0.324 176.009 176.300 0.056 0.000 1.095 401 D CA 0.547 54.575 54.000 0.048 0.000 0.871 401 D CB -0.140 40.681 40.800 0.035 0.000 0.906 401 D HN -0.438 8.066 8.370 0.058 -0.099 0.522 402 N N -0.235 118.511 118.700 0.076 0.000 2.272 402 N HA 0.241 nan 4.740 nan 0.000 0.305 402 N C -1.524 174.049 175.510 0.105 0.000 1.103 402 N CA -0.631 52.473 53.050 0.090 0.000 0.791 402 N CB 3.223 41.776 38.487 0.108 0.000 1.356 402 N HN -0.145 8.178 8.380 0.085 0.108 0.486 403 R N 0.912 121.474 120.500 0.103 0.000 2.543 403 R HA 0.177 nan 4.340 nan 0.000 0.277 403 R C -0.541 175.848 176.300 0.150 0.000 1.074 403 R CA 0.975 57.144 56.100 0.115 0.000 1.076 403 R CB 0.623 30.982 30.300 0.099 0.000 0.993 403 R HN 0.447 8.773 8.270 0.093 0.000 0.459 404 S N 1.675 117.476 115.700 0.169 0.000 3.137 404 S HA 0.861 nan 4.470 nan 0.000 0.292 404 S C -0.415 174.306 174.600 0.201 0.000 1.041 404 S CA -1.207 57.111 58.200 0.197 0.000 0.956 404 S CB 3.372 66.722 63.200 0.251 0.000 1.360 404 S HN 0.388 8.793 8.310 0.159 0.000 0.690 405 G N -0.796 108.150 108.800 0.242 0.000 3.074 405 G HA2 0.184 nan 3.960 nan 0.000 0.127 405 G HA3 0.184 nan 3.960 nan 0.000 0.127 405 G C -1.568 173.574 174.900 0.403 0.000 1.216 405 G CA 0.734 46.011 45.100 0.295 0.000 1.390 405 G HN -0.487 7.949 8.290 0.243 0.000 0.676 406 Y N 3.050 123.456 120.300 0.177 0.000 2.158 406 Y HA -0.013 nan 4.550 nan 0.000 0.365 406 Y C -0.371 175.616 175.900 0.145 0.000 1.301 406 Y CA 0.692 58.904 58.100 0.187 0.000 1.735 406 Y CB 0.621 39.218 38.460 0.228 0.000 1.509 406 Y HN -0.356 8.474 8.280 0.497 -0.252 0.657 407 S N -3.794 112.048 115.700 0.238 0.000 2.714 407 S HA 0.198 nan 4.470 nan 0.000 0.284 407 S C -1.988 172.513 174.600 -0.166 0.000 1.019 407 S CA -0.033 58.102 58.200 -0.108 0.000 0.856 407 S CB 3.032 66.292 63.200 0.100 0.000 1.075 407 S HN 0.118 8.617 8.310 0.315 0.000 0.455 408 G N -1.521 106.929 108.800 -0.584 0.000 2.488 408 G HA2 0.384 nan 3.960 nan 0.000 0.301 408 G HA3 0.384 nan 3.960 nan 0.000 0.301 408 G C -3.470 171.255 174.900 -0.291 0.000 1.339 408 G CA -0.007 44.996 45.100 -0.162 0.000 0.803 408 G HN -0.056 7.630 8.290 -1.006 0.000 0.482 409 I N -0.648 119.949 120.570 0.044 0.000 2.693 409 I HA 0.985 nan 4.170 nan 0.000 0.303 409 I C -2.400 173.860 176.117 0.238 0.000 1.025 409 I CA -2.837 58.423 61.300 -0.067 0.000 1.086 409 I CB 2.978 40.950 38.000 -0.047 0.000 1.268 409 I HN 0.146 8.479 8.210 0.206 0.000 0.440 410 F N 2.663 122.593 119.950 -0.032 0.000 2.601 410 F HA 0.698 nan 4.527 nan 0.000 0.309 410 F C -2.809 172.941 175.800 -0.084 0.000 1.089 410 F CA -2.436 55.576 58.000 0.020 0.000 0.940 410 F CB 3.097 42.185 39.000 0.146 0.000 1.273 410 F HN 0.952 9.021 8.300 -0.178 0.123 0.450 411 S N 1.064 116.823 115.700 0.098 0.000 2.473 411 S HA 0.712 nan 4.470 nan 0.000 0.307 411 S C -1.221 173.530 174.600 0.252 0.000 1.094 411 S CA -1.065 57.090 58.200 -0.076 0.000 1.070 411 S CB 1.531 64.529 63.200 -0.336 0.000 1.019 411 S HN -0.178 8.493 8.310 0.261 -0.204 0.480 412 V N 0.475 120.502 119.914 0.188 0.000 2.531 412 V HA 0.451 nan 4.120 nan 0.000 0.301 412 V C -1.867 174.369 176.094 0.237 0.000 1.034 412 V CA -2.295 60.186 62.300 0.302 0.000 0.865 412 V CB 3.326 35.280 31.823 0.219 0.000 0.995 412 V HN 0.737 8.918 8.190 -0.015 0.000 0.424 413 E N 7.014 127.360 120.200 0.244 0.000 2.257 413 E HA 0.082 nan 4.350 nan 0.000 0.278 413 E C -0.540 176.074 176.600 0.023 0.000 1.049 413 E CA -0.442 56.033 56.400 0.125 0.000 0.876 413 E CB 0.726 30.399 29.700 -0.045 0.000 1.035 413 E HN 0.474 8.942 8.360 0.179 0.000 0.419 414 G N 4.535 113.345 108.800 0.017 0.000 2.510 414 G HA2 0.179 nan 3.960 nan 0.000 0.280 414 G HA3 0.179 nan 3.960 nan 0.000 0.280 414 G C -0.415 174.475 174.900 -0.017 0.000 1.386 414 G CA -1.323 43.772 45.100 -0.008 0.000 1.047 414 G HN 0.316 8.627 8.290 0.034 0.000 0.527 415 K N -0.403 119.986 120.400 -0.019 0.000 2.217 415 K HA -0.209 nan 4.320 nan 0.000 0.202 415 K C 0.511 177.100 176.600 -0.019 0.000 1.051 415 K CA 2.931 59.205 56.287 -0.022 0.000 0.952 415 K CB 0.031 32.520 32.500 -0.018 0.000 0.736 415 K HN 0.487 8.726 8.250 -0.017 0.000 0.453 416 S N -4.975 110.718 115.700 -0.013 0.000 3.056 416 S HA 0.017 nan 4.470 nan 0.000 0.255 416 S C -0.247 174.351 174.600 -0.003 0.000 1.079 416 S CA 0.054 58.248 58.200 -0.009 0.000 0.810 416 S CB 0.865 64.061 63.200 -0.007 0.000 0.810 416 S HN -0.042 8.212 8.310 -0.012 0.049 0.477 417 c N -1.004 117.596 118.600 0.000 0.000 2.710 417 c HA 0.895 nan 4.570 nan 0.000 0.367 417 c C -1.870 172.234 174.090 0.023 0.000 1.315 417 c CA -3.349 52.986 56.329 0.009 0.000 1.764 417 c CB 3.860 46.370 42.510 0.001 0.000 2.182 417 c HN -0.651 7.576 8.230 -0.005 0.000 0.491 418 I N -3.523 117.070 120.570 0.037 0.000 2.433 418 I HA 0.606 nan 4.170 nan 0.000 0.292 418 I C -2.358 173.740 176.117 -0.030 0.000 1.001 418 I CA -1.734 59.606 61.300 0.067 0.000 1.119 418 I CB 2.314 40.441 38.000 0.212 0.000 1.289 418 I HN 0.729 8.852 8.210 0.033 0.107 0.438 419 N N 5.501 124.166 118.700 -0.059 0.000 2.472 419 N HA 0.283 nan 4.740 nan 0.000 0.289 419 N C -2.043 173.293 175.510 -0.291 0.000 1.156 419 N CA -1.473 51.476 53.050 -0.168 0.000 0.940 419 N CB 3.080 41.470 38.487 -0.161 0.000 1.200 419 N HN 0.515 8.898 8.380 0.004 0.000 0.511 420 R N -0.460 119.794 120.500 -0.410 0.000 2.534 420 R HA 0.762 nan 4.340 nan 0.000 0.301 420 R C -1.445 174.523 176.300 -0.553 0.000 0.961 420 R CA -1.183 54.552 56.100 -0.608 0.000 0.871 420 R CB 2.433 32.086 30.300 -1.077 0.000 1.170 420 R HN 0.184 8.257 8.270 -0.329 0.000 0.446 421 c N 1.183 119.291 118.600 -0.820 0.000 3.108 421 c HA 1.016 nan 4.570 nan 0.000 0.321 421 c C -1.821 171.674 174.090 -0.992 0.000 1.357 421 c CA -1.552 54.142 56.329 -1.057 0.000 1.562 421 c CB 4.139 45.600 42.510 -1.749 0.000 2.003 421 c HN 1.028 8.673 8.230 -0.819 0.094 0.460 422 F N -3.391 116.031 119.950 -0.880 0.000 2.713 422 F HA 0.948 nan 4.527 nan 0.000 0.311 422 F C -3.513 172.200 175.800 -0.144 0.000 1.141 422 F CA -1.612 55.989 58.000 -0.667 0.000 0.939 422 F CB 2.634 40.727 39.000 -1.511 0.000 1.325 422 F HN 0.494 8.169 8.300 -1.042 0.000 0.453 423 Y N -4.449 115.912 120.300 0.100 0.000 2.605 423 Y HA 0.885 nan 4.550 nan 0.000 0.343 423 Y C -3.093 172.899 175.900 0.153 0.000 1.036 423 Y CA -2.800 55.361 58.100 0.102 0.000 1.065 423 Y CB 2.861 41.423 38.460 0.171 0.000 1.288 423 Y HN 0.124 8.187 8.280 -0.361 0.000 0.481 424 V N -2.124 117.869 119.914 0.131 0.000 2.638 424 V HA 0.532 nan 4.120 nan 0.000 0.306 424 V C -2.335 173.898 176.094 0.232 0.000 1.052 424 V CA -2.763 59.556 62.300 0.032 0.000 0.885 424 V CB 3.397 35.062 31.823 -0.264 0.000 0.999 424 V HN -0.003 8.316 8.190 0.215 0.000 0.424 425 E N 7.731 128.111 120.200 0.300 0.000 2.217 425 E HA 0.171 nan 4.350 nan 0.000 0.279 425 E C -0.841 175.887 176.600 0.214 0.000 1.068 425 E CA -0.740 55.830 56.400 0.283 0.000 0.882 425 E CB 0.763 30.643 29.700 0.301 0.000 1.039 425 E HN 0.057 8.469 8.360 0.289 0.121 0.418 426 L N 7.729 129.066 121.223 0.190 0.000 2.270 426 L HA 0.262 nan 4.340 nan 0.000 0.286 426 L C -1.092 175.879 176.870 0.168 0.000 1.059 426 L CA -1.649 53.296 54.840 0.175 0.000 0.839 426 L CB -0.083 42.079 42.059 0.171 0.000 1.221 426 L HN 0.252 8.597 8.230 0.191 0.000 0.431 427 I N 4.785 125.449 120.570 0.158 0.000 2.396 427 I HA 0.474 nan 4.170 nan 0.000 0.292 427 I C -1.692 174.515 176.117 0.149 0.000 0.999 427 I CA -1.215 60.176 61.300 0.151 0.000 1.310 427 I CB 2.079 40.148 38.000 0.116 0.000 1.404 427 I HN -0.509 7.796 8.210 0.158 0.000 0.496 428 R N 4.892 125.510 120.500 0.197 0.000 2.960 428 R HA 0.564 nan 4.340 nan 0.000 0.249 428 R C 0.215 176.564 176.300 0.082 0.000 1.192 428 R CA -3.267 52.946 56.100 0.188 0.000 1.035 428 R CB 2.599 33.101 30.300 0.336 0.000 1.234 428 R HN 0.557 8.971 8.270 0.241 0.000 0.493 429 G N -0.230 108.451 108.800 -0.197 0.000 2.575 429 G HA2 -0.507 nan 3.960 nan 0.000 0.267 429 G HA3 -0.507 nan 3.960 nan 0.000 0.267 429 G C -0.194 174.508 174.900 -0.330 0.000 1.264 429 G CA 0.155 44.896 45.100 -0.600 0.000 0.935 429 G HN -0.281 8.057 8.290 -0.114 -0.116 0.568 430 R N 2.142 122.426 120.500 -0.360 0.000 2.954 430 R HA 0.025 nan 4.340 nan 0.000 0.276 430 R C 1.695 177.905 176.300 -0.149 0.000 1.218 430 R CA 0.040 55.984 56.100 -0.261 0.000 1.149 430 R CB 0.106 30.249 30.300 -0.261 0.000 1.112 430 R HN -0.008 8.002 8.270 -0.433 0.000 0.577 431 K N -3.362 116.955 120.400 -0.138 0.000 11.017 431 K HA -0.363 nan 4.320 nan 0.000 0.514 431 K C 1.030 177.559 176.600 -0.118 0.000 0.416 431 K CA 2.640 58.864 56.287 -0.106 0.000 1.853 431 K CB -2.198 30.265 32.500 -0.062 0.000 0.797 431 K HN 0.353 8.517 8.250 -0.143 0.000 1.242 432 Q N 1.596 121.339 119.800 -0.096 0.000 1.917 432 Q HA -0.174 nan 4.340 nan 0.000 0.205 432 Q C -0.093 175.836 176.000 -0.119 0.000 0.988 432 Q CA 1.885 57.638 55.803 -0.084 0.000 0.851 432 Q CB 0.855 29.564 28.738 -0.049 0.000 0.916 432 Q HN 0.316 8.502 8.270 -0.083 0.034 0.424 433 E N -1.018 119.096 120.200 -0.144 0.000 2.290 433 E HA -0.041 nan 4.350 nan 0.000 0.277 433 E C -0.443 175.991 176.600 -0.277 0.000 1.035 433 E CA 0.168 56.457 56.400 -0.185 0.000 0.873 433 E CB 0.245 29.839 29.700 -0.177 0.000 1.029 433 E HN -0.607 7.672 8.360 -0.136 0.000 0.419 434 T N 0.005 114.394 114.554 -0.275 0.000 3.043 434 T HA 0.257 nan 4.350 nan 0.000 0.272 434 T C 0.661 175.114 174.700 -0.413 0.000 0.990 434 T CA 0.153 62.028 62.100 -0.374 0.000 0.897 434 T CB 0.270 68.942 68.868 -0.327 0.000 1.111 434 T HN 0.370 8.480 8.240 -0.216 0.000 0.529 435 R N 2.276 122.601 120.500 -0.291 0.000 2.127 435 R HA -0.212 nan 4.340 nan 0.000 0.238 435 R C -1.150 175.007 176.300 -0.239 0.000 1.134 435 R CA 2.217 58.189 56.100 -0.212 0.000 0.975 435 R CB -0.257 29.975 30.300 -0.113 0.000 0.865 435 R HN -0.099 8.024 8.270 -0.245 0.000 0.447 436 V N -8.465 111.237 119.914 -0.352 0.000 3.096 436 V HA 0.175 nan 4.120 nan 0.000 0.319 436 V C -0.985 174.784 176.094 -0.542 0.000 1.103 436 V CA -3.672 58.422 62.300 -0.344 0.000 1.016 436 V CB 2.368 33.898 31.823 -0.489 0.000 1.090 436 V HN -0.861 7.054 8.190 -0.406 0.032 0.449 437 W N -1.763 119.363 121.300 -0.289 0.000 3.008 437 W HA 0.328 nan 4.660 nan 0.000 0.355 437 W C -0.765 175.701 176.519 -0.088 0.000 1.095 437 W CA 0.273 57.533 57.345 -0.142 0.000 1.738 437 W CB 1.070 30.530 29.460 -0.001 0.000 1.091 437 W HN 0.338 8.540 8.180 0.036 0.000 0.574 438 W N -4.791 116.621 121.300 0.187 0.000 2.481 438 W HA 0.655 nan 4.660 nan 0.000 0.369 438 W C -1.908 174.653 176.519 0.070 0.000 1.235 438 W CA -1.958 55.462 57.345 0.124 0.000 1.344 438 W CB 1.506 31.035 29.460 0.115 0.000 1.360 438 W HN -0.902 6.799 8.180 -0.799 0.000 0.658 439 T N 2.780 117.635 114.554 0.501 0.000 3.031 439 T HA 0.364 nan 4.350 nan 0.000 0.305 439 T C -2.042 172.913 174.700 0.426 0.000 0.985 439 T CA 0.005 62.335 62.100 0.384 0.000 1.008 439 T CB 1.058 70.003 68.868 0.130 0.000 1.005 439 T HN -0.167 8.355 8.240 0.470 0.000 0.444 440 S N 3.791 119.793 115.700 0.504 0.000 2.806 440 S HA 0.687 nan 4.470 nan 0.000 0.306 440 S C -2.060 172.690 174.600 0.251 0.000 1.167 440 S CA -1.945 56.429 58.200 0.290 0.000 0.847 440 S CB 1.798 65.094 63.200 0.159 0.000 1.216 440 S HN -0.120 8.572 8.310 0.637 0.000 0.532 441 N N -1.311 117.501 118.700 0.186 0.000 3.102 441 N HA 0.717 nan 4.740 nan 0.000 0.299 441 N C -1.950 173.657 175.510 0.162 0.000 1.482 441 N CA -0.922 52.234 53.050 0.177 0.000 0.785 441 N CB 3.920 42.502 38.487 0.157 0.000 1.680 441 N HN -0.087 8.393 8.380 0.166 0.000 0.594 442 S N -2.531 113.263 115.700 0.157 0.000 2.851 442 S HA 0.667 nan 4.470 nan 0.000 0.317 442 S C -1.315 173.372 174.600 0.145 0.000 1.144 442 S CA -1.595 56.687 58.200 0.136 0.000 0.862 442 S CB 3.466 66.736 63.200 0.116 0.000 1.259 442 S HN 0.616 8.914 8.310 0.163 0.109 0.564 443 I N -7.125 113.515 120.570 0.117 0.000 3.191 443 I HA 0.924 nan 4.170 nan 0.000 0.313 443 I C -2.599 173.581 176.117 0.104 0.000 1.193 443 I CA -1.415 59.965 61.300 0.133 0.000 0.968 443 I CB 4.048 42.131 38.000 0.139 0.000 1.262 443 I HN -0.368 8.110 8.210 0.084 -0.218 0.456 444 V N 0.715 120.705 119.914 0.126 0.000 2.888 444 V HA 0.755 nan 4.120 nan 0.000 0.309 444 V C -2.908 173.249 176.094 0.105 0.000 1.114 444 V CA -1.425 60.933 62.300 0.097 0.000 0.940 444 V CB 3.783 35.708 31.823 0.170 0.000 1.021 444 V HN -0.226 8.063 8.190 0.166 0.000 0.426 445 V N 4.502 124.436 119.914 0.033 0.000 2.760 445 V HA 1.023 nan 4.120 nan 0.000 0.309 445 V C -2.691 173.336 176.094 -0.112 0.000 1.077 445 V CA -2.449 59.871 62.300 0.033 0.000 0.910 445 V CB 3.634 35.578 31.823 0.202 0.000 1.008 445 V HN 0.705 8.764 8.190 -0.060 0.095 0.424 446 F N 5.241 124.820 119.950 -0.618 0.000 2.546 446 F HA 0.849 nan 4.527 nan 0.000 0.320 446 F C -1.545 173.829 175.800 -0.710 0.000 1.076 446 F CA -2.326 55.294 58.000 -0.633 0.000 0.928 446 F CB 4.692 43.223 39.000 -0.782 0.000 1.189 446 F HN -0.201 7.740 8.300 -0.597 0.000 0.465 447 c N 1.126 119.531 118.600 -0.325 0.000 2.614 447 c HA 0.727 nan 4.570 nan 0.000 0.320 447 c C -0.518 173.602 174.090 0.049 0.000 1.200 447 c CA -1.380 54.732 56.329 -0.362 0.000 1.700 447 c CB 4.043 46.129 42.510 -0.708 0.000 2.275 447 c HN 0.914 8.988 8.230 -0.259 0.000 0.492 448 G N 1.662 110.540 108.800 0.131 0.000 2.254 448 G HA2 -0.118 nan 3.960 nan 0.000 0.253 448 G HA3 -0.118 nan 3.960 nan 0.000 0.253 448 G C -1.443 173.354 174.900 -0.170 0.000 1.246 448 G CA 0.875 45.976 45.100 0.002 0.000 0.946 448 G HN 0.055 8.382 8.290 -0.065 -0.077 0.474 449 T N 4.022 118.443 114.554 -0.220 0.000 2.859 449 T HA 0.321 nan 4.350 nan 0.000 0.281 449 T C 0.131 174.758 174.700 -0.122 0.000 1.005 449 T CA -1.622 60.399 62.100 -0.131 0.000 1.025 449 T CB 1.860 70.707 68.868 -0.036 0.000 0.977 449 T HN -0.184 7.743 8.240 -0.338 0.111 0.458 450 S N 5.632 121.294 115.700 -0.063 0.000 2.605 450 S HA 0.293 nan 4.470 nan 0.000 0.217 450 S C 0.712 175.327 174.600 0.024 0.000 0.958 450 S CA -0.247 57.940 58.200 -0.022 0.000 0.919 450 S CB 0.135 63.322 63.200 -0.021 0.000 0.780 450 S HN 0.604 8.876 8.310 -0.062 0.000 0.507 451 G N 2.196 111.024 108.800 0.047 0.000 2.890 451 G HA2 0.114 nan 3.960 nan 0.000 0.189 451 G HA3 0.114 nan 3.960 nan 0.000 0.189 451 G C -1.424 173.547 174.900 0.118 0.000 1.342 451 G CA -0.742 44.399 45.100 0.067 0.000 1.026 451 G HN -0.370 7.880 8.290 0.035 0.061 0.579 452 T N 0.655 115.264 114.554 0.091 0.000 2.874 452 T HA 0.315 nan 4.350 nan 0.000 0.281 452 T C -0.935 173.869 174.700 0.174 0.000 0.994 452 T CA 0.194 62.321 62.100 0.045 0.000 1.015 452 T CB 0.864 69.741 68.868 0.014 0.000 1.028 452 T HN 0.084 8.368 8.240 0.073 0.000 0.523 453 Y N -3.482 116.871 120.300 0.089 0.000 2.702 453 Y HA 0.468 nan 4.550 nan 0.000 0.336 453 Y C -1.163 174.822 175.900 0.142 0.000 1.203 453 Y CA -1.128 57.048 58.100 0.126 0.000 1.072 453 Y CB 0.501 39.055 38.460 0.156 0.000 1.327 453 Y HN -0.115 8.015 8.280 -0.251 0.000 0.456 454 G N 0.221 109.256 108.800 0.392 0.000 3.310 454 G HA2 0.165 nan 3.960 nan 0.000 0.176 454 G HA3 0.165 nan 3.960 nan 0.000 0.176 454 G C -1.687 173.436 174.900 0.371 0.000 1.307 454 G CA -0.642 44.623 45.100 0.275 0.000 0.935 454 G HN -0.000 8.580 8.290 0.484 0.000 0.628 455 T N 0.459 115.182 114.554 0.282 0.000 2.956 455 T HA 0.276 nan 4.350 nan 0.000 0.312 455 T C -1.141 173.627 174.700 0.113 0.000 1.151 455 T CA 0.701 62.946 62.100 0.241 0.000 1.024 455 T CB 1.059 70.023 68.868 0.160 0.000 1.140 455 T HN -0.222 8.156 8.240 0.230 0.000 0.473 456 G N 2.416 111.234 108.800 0.030 0.000 2.428 456 G HA2 0.129 nan 3.960 nan 0.000 0.305 456 G HA3 0.129 nan 3.960 nan 0.000 0.305 456 G C -3.090 171.610 174.900 -0.332 0.000 1.260 456 G CA 0.648 45.517 45.100 -0.386 0.000 0.853 456 G HN -0.088 8.303 8.290 0.169 0.000 0.480 457 S N -0.528 114.784 115.700 -0.647 0.000 2.582 457 S HA 0.131 nan 4.470 nan 0.000 0.296 457 S C -1.879 172.697 174.600 -0.040 0.000 1.118 457 S CA 0.246 58.405 58.200 -0.069 0.000 0.947 457 S CB 1.562 64.775 63.200 0.022 0.000 1.131 457 S HN -0.120 7.506 8.310 -1.140 0.000 0.453 458 W N 5.721 127.137 121.300 0.193 0.000 2.416 458 W HA 0.309 nan 4.660 nan 0.000 0.294 458 W C -2.006 174.609 176.519 0.160 0.000 0.966 458 W CA -2.009 55.445 57.345 0.181 0.000 1.686 458 W CB 1.171 30.772 29.460 0.234 0.000 1.612 458 W HN 0.314 8.984 8.180 0.817 0.000 0.420 459 P HA 0.231 nan 4.420 nan 0.000 0.278 459 P C 0.317 177.738 177.300 0.200 0.000 1.266 459 P CA -0.763 62.472 63.100 0.226 0.000 0.807 459 P CB 1.022 32.820 31.700 0.162 0.000 1.094 460 D N 1.822 122.326 120.400 0.173 0.000 2.204 460 D HA -0.366 nan 4.640 nan 0.000 0.189 460 D C 0.664 177.045 176.300 0.135 0.000 1.006 460 D CA 2.552 56.642 54.000 0.151 0.000 0.855 460 D CB 0.132 41.020 40.800 0.147 0.000 0.946 460 D HN 0.414 8.889 8.370 0.175 0.000 0.448 461 G N -3.553 105.319 108.800 0.119 0.000 2.132 461 G HA2 -0.385 nan 3.960 nan 0.000 0.228 461 G HA3 -0.385 nan 3.960 nan 0.000 0.228 461 G C -1.651 173.306 174.900 0.094 0.000 1.000 461 G CA 0.073 45.233 45.100 0.100 0.000 0.693 461 G HN 0.065 8.425 8.290 0.117 0.000 0.515 462 A N -0.976 121.903 122.820 0.098 0.000 2.260 462 A HA 0.272 nan 4.320 nan 0.000 0.314 462 A C -1.494 176.117 177.584 0.046 0.000 1.257 462 A CA -1.265 50.836 52.037 0.107 0.000 0.871 462 A CB 1.331 20.421 19.000 0.150 0.000 1.166 462 A HN -0.543 7.753 8.150 0.103 -0.084 0.522 463 N N 4.417 123.094 118.700 -0.038 0.000 2.399 463 N HA -0.006 nan 4.740 nan 0.000 0.259 463 N C 1.080 176.512 175.510 -0.130 0.000 1.160 463 N CA -0.995 51.895 53.050 -0.266 0.000 0.946 463 N CB 0.273 38.220 38.487 -0.899 0.000 1.156 463 N HN 0.487 8.877 8.380 0.016 0.000 0.489 464 I N 7.242 127.783 120.570 -0.049 0.000 2.530 464 I HA -0.434 nan 4.170 nan 0.000 0.257 464 I C 0.454 176.608 176.117 0.062 0.000 1.179 464 I CA 1.476 62.805 61.300 0.049 0.000 1.440 464 I CB 0.301 38.303 38.000 0.003 0.000 1.087 464 I HN 0.410 8.579 8.210 -0.068 0.000 0.440 465 N N -0.083 118.599 118.700 -0.031 0.000 2.457 465 N HA -0.237 nan 4.740 nan 0.000 0.180 465 N C 1.235 176.924 175.510 0.299 0.000 1.050 465 N CA 2.799 55.888 53.050 0.065 0.000 0.906 465 N CB -0.303 38.178 38.487 -0.011 0.000 0.968 465 N HN -0.206 8.318 8.380 -0.152 -0.236 0.445 466 F N -2.869 117.129 119.950 0.081 0.000 2.710 466 F HA -0.013 nan 4.527 nan 0.000 0.298 466 F C 0.416 176.274 175.800 0.097 0.000 1.137 466 F CA -0.393 57.652 58.000 0.076 0.000 1.444 466 F CB -0.249 38.791 39.000 0.066 0.000 1.111 466 F HN -0.241 7.967 8.300 0.134 0.173 0.580 467 M N 0.118 119.914 119.600 0.326 0.000 2.274 467 M HA 0.305 nan 4.480 nan 0.000 0.344 467 M C -1.912 174.563 176.300 0.291 0.000 1.161 467 M CA -2.558 52.928 55.300 0.311 0.000 1.126 467 M CB 0.388 33.252 32.600 0.439 0.000 1.522 467 M HN -0.544 7.732 8.290 0.296 0.191 0.461 468 P HA 0.117 nan 4.420 nan 0.000 0.269 468 P C -0.950 176.581 177.300 0.386 0.000 1.209 468 P CA 0.086 63.329 63.100 0.238 0.000 0.776 468 P CB 0.006 31.780 31.700 0.125 0.000 0.876 469 I N 0.000 120.747 120.570 0.295 0.000 2.984 469 I HA 0.000 nan 4.170 nan 0.000 0.288 469 I CA 0.000 61.507 61.300 0.345 0.000 1.566 469 I CB 0.000 38.313 38.000 0.522 0.000 1.214 469 I HN 0.000 8.343 8.210 0.222 0.000 0.494