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 1ivc_1_B 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 0.000 175.995 176.094 -0.165 0.000 1.182 82 V CA 0.000 62.236 62.300 -0.106 0.000 1.235 82 V CB 0.000 31.764 31.823 -0.098 0.000 1.184 83 E N 3.652 123.772 120.200 -0.133 0.000 2.385 83 E HA 0.159 nan 4.350 nan 0.000 0.254 83 E C -1.490 175.026 176.600 -0.140 0.000 1.228 83 E CA -0.561 55.759 56.400 -0.134 0.000 0.956 83 E CB 1.099 30.762 29.700 -0.061 0.000 1.116 83 E HN -0.162 8.137 8.360 -0.101 0.000 0.507 84 Y N -1.937 118.353 120.300 -0.017 0.000 2.403 84 Y HA 0.087 nan 4.550 nan 0.000 0.323 84 Y C 0.209 176.073 175.900 -0.060 0.000 1.226 84 Y CA -0.105 57.989 58.100 -0.010 0.000 1.235 84 Y CB 1.732 40.207 38.460 0.026 0.000 1.248 84 Y HN -0.050 8.285 8.280 0.092 0.000 0.489 85 R N 2.144 122.714 120.500 0.117 0.000 2.242 85 R HA -0.005 nan 4.340 nan 0.000 0.334 85 R C 0.138 176.427 176.300 -0.019 0.000 1.071 85 R CA 0.253 56.254 56.100 -0.165 0.000 0.922 85 R CB -0.257 29.798 30.300 -0.408 0.000 1.023 85 R HN 0.274 8.679 8.270 0.225 0.000 0.458 86 N N 3.010 121.714 118.700 0.006 0.000 2.236 86 N HA -0.019 nan 4.740 nan 0.000 0.196 86 N C -0.120 175.573 175.510 0.305 0.000 1.114 86 N CA -1.449 51.719 53.050 0.197 0.000 0.859 86 N CB 0.052 38.621 38.487 0.137 0.000 0.982 86 N HN 0.217 8.551 8.380 -0.077 0.000 0.493 87 W N -4.463 116.866 121.300 0.047 0.000 6.105 87 W HA -0.355 nan 4.660 nan 0.000 0.377 87 W C -0.328 176.147 176.519 -0.073 0.000 1.366 87 W CA 0.495 57.856 57.345 0.027 0.000 1.011 87 W CB -2.636 26.887 29.460 0.104 0.000 2.481 87 W HN -0.076 7.919 8.180 -0.190 0.071 1.597 88 S N 1.383 117.008 115.700 -0.124 0.000 3.900 88 S HA -0.025 nan 4.470 nan 0.000 0.248 88 S C -0.672 173.849 174.600 -0.132 0.000 1.310 88 S CA 1.722 59.696 58.200 -0.378 0.000 0.915 88 S CB -0.750 62.080 63.200 -0.616 0.000 1.588 88 S HN -0.330 8.170 8.310 -0.148 -0.279 0.472 89 K N 2.876 123.271 120.400 -0.008 0.000 2.578 89 K HA 0.238 nan 4.320 nan 0.000 0.269 89 K C -2.711 173.917 176.600 0.047 0.000 0.941 89 K CA -2.466 53.829 56.287 0.014 0.000 0.847 89 K CB 1.939 34.455 32.500 0.027 0.000 1.397 89 K HN -0.724 7.561 8.250 0.057 0.000 0.422 90 P HA -0.109 nan 4.420 nan 0.000 0.266 90 P C -1.684 175.635 177.300 0.030 0.000 1.193 90 P CA -0.162 62.960 63.100 0.037 0.000 0.770 90 P CB 0.612 32.327 31.700 0.025 0.000 0.836 91 Q N 2.378 122.194 119.800 0.027 0.000 2.313 91 Q HA 0.019 nan 4.340 nan 0.000 0.266 91 Q C -0.582 175.414 176.000 -0.008 0.000 0.989 91 Q CA -0.293 55.504 55.803 -0.010 0.000 0.890 91 Q CB 0.816 29.549 28.738 -0.008 0.000 1.200 91 Q HN -0.063 8.232 8.270 0.041 0.000 0.396 92 c N 7.447 126.022 118.600 -0.041 0.000 2.657 92 c HA -0.055 nan 4.570 nan 0.000 0.420 92 c C -0.351 173.728 174.090 -0.018 0.000 1.323 92 c CA 0.709 57.017 56.329 -0.035 0.000 1.894 92 c CB 0.203 42.672 42.510 -0.068 0.000 2.681 92 c HN 0.231 8.419 8.230 -0.071 0.000 0.613 93 Q N 3.877 123.680 119.800 0.004 0.000 2.402 93 Q HA 0.094 nan 4.340 nan 0.000 0.238 93 Q C -0.682 175.311 176.000 -0.011 0.000 1.126 93 Q CA -0.284 55.541 55.803 0.035 0.000 0.904 93 Q CB -0.714 28.053 28.738 0.050 0.000 1.357 93 Q HN 0.335 8.607 8.270 0.002 0.000 0.491 94 I N -0.321 120.202 120.570 -0.079 0.000 2.886 94 I HA 0.497 nan 4.170 nan 0.000 0.299 94 I C -0.622 175.388 176.117 -0.178 0.000 1.044 94 I CA -1.098 60.061 61.300 -0.235 0.000 1.310 94 I CB 1.450 39.132 38.000 -0.531 0.000 1.441 94 I HN -0.395 7.786 8.210 -0.048 0.000 0.578 95 T N 1.993 116.438 114.554 -0.181 0.000 3.043 95 T HA 0.377 nan 4.350 nan 0.000 0.272 95 T C -0.944 173.795 174.700 0.064 0.000 0.990 95 T CA -0.165 61.959 62.100 0.041 0.000 0.897 95 T CB 1.426 70.356 68.868 0.105 0.000 1.111 95 T HN 1.001 8.986 8.240 -0.238 0.112 0.529 96 G N 0.150 108.664 108.800 -0.477 0.000 2.350 96 G HA2 0.038 nan 3.960 nan 0.000 0.282 96 G HA3 0.038 nan 3.960 nan 0.000 0.282 96 G C -3.416 170.838 174.900 -1.077 0.000 1.314 96 G CA 0.747 45.411 45.100 -0.726 0.000 0.915 96 G HN -0.721 7.107 8.290 -0.687 0.050 0.499 97 F N -0.653 119.143 119.950 -0.257 0.000 2.532 97 F HA 0.727 nan 4.527 nan 0.000 0.321 97 F C -0.789 174.993 175.800 -0.031 0.000 1.089 97 F CA -2.329 55.632 58.000 -0.065 0.000 0.926 97 F CB 2.753 41.876 39.000 0.205 0.000 1.168 97 F HN -0.226 8.053 8.300 -0.579 -0.327 0.459 98 A N 2.414 125.304 122.820 0.117 0.000 2.337 98 A HA 0.649 nan 4.320 nan 0.000 0.329 98 A C -2.906 174.379 177.584 -0.498 0.000 1.146 98 A CA -3.519 48.482 52.037 -0.060 0.000 0.800 98 A CB 0.999 19.974 19.000 -0.042 0.000 1.220 98 A HN 0.787 8.992 8.150 0.092 0.000 0.472 99 P HA 0.096 nan 4.420 nan 0.000 0.265 99 P C -1.638 175.235 177.300 -0.712 0.000 1.193 99 P CA 0.606 62.654 63.100 -1.753 0.000 0.765 99 P CB 0.360 31.141 31.700 -1.531 0.000 0.823 100 F N 4.872 124.351 119.950 -0.786 0.000 2.549 100 F HA 0.248 nan 4.527 nan 0.000 0.275 100 F C -0.386 175.243 175.800 -0.286 0.000 0.990 100 F CA -0.515 57.245 58.000 -0.400 0.000 1.274 100 F CB 2.238 41.076 39.000 -0.270 0.000 1.064 100 F HN 0.809 8.573 8.300 -0.759 0.081 0.715 101 S N -2.943 112.594 115.700 -0.271 0.000 2.587 101 S HA 0.178 nan 4.470 nan 0.000 0.269 101 S C -2.535 171.965 174.600 -0.166 0.000 1.154 101 S CA -0.001 58.019 58.200 -0.299 0.000 0.824 101 S CB 1.573 64.563 63.200 -0.350 0.000 1.118 101 S HN -0.593 7.603 8.310 -0.190 0.000 0.462 102 K N 2.485 122.805 120.400 -0.134 0.000 2.557 102 K HA 0.231 nan 4.320 nan 0.000 0.261 102 K C -1.945 174.614 176.600 -0.068 0.000 0.932 102 K CA -0.329 55.928 56.287 -0.051 0.000 0.829 102 K CB 2.477 34.972 32.500 -0.009 0.000 1.358 102 K HN -0.023 8.128 8.250 -0.166 0.000 0.430 103 D N 2.907 123.277 120.400 -0.050 0.000 2.454 103 D HA 0.049 nan 4.640 nan 0.000 0.214 103 D C 0.449 176.724 176.300 -0.041 0.000 1.088 103 D CA -0.181 53.768 54.000 -0.085 0.000 0.855 103 D CB 0.470 41.172 40.800 -0.164 0.000 1.025 103 D HN 0.258 8.620 8.370 -0.014 0.000 0.502 104 N N -1.843 116.862 118.700 0.007 0.000 2.735 104 N HA -0.438 nan 4.740 nan 0.000 0.248 104 N C 0.782 176.312 175.510 0.033 0.000 1.083 104 N CA 1.038 54.109 53.050 0.035 0.000 0.703 104 N CB -1.132 37.374 38.487 0.032 0.000 1.005 104 N HN 0.169 8.563 8.380 0.022 0.000 0.550 105 S N 0.782 116.500 115.700 0.031 0.000 2.353 105 S HA -0.415 nan 4.470 nan 0.000 0.222 105 S C 1.389 176.016 174.600 0.044 0.000 1.035 105 S CA 3.775 61.999 58.200 0.040 0.000 1.025 105 S CB 0.040 63.278 63.200 0.063 0.000 0.902 105 S HN -0.360 8.202 8.310 0.025 -0.237 0.440 106 I N -1.332 119.278 120.570 0.066 0.000 2.226 106 I HA -0.380 nan 4.170 nan 0.000 0.245 106 I C 1.411 177.568 176.117 0.068 0.000 1.100 106 I CA 2.485 63.824 61.300 0.063 0.000 1.374 106 I CB -0.880 37.206 38.000 0.144 0.000 1.057 106 I HN -0.177 8.085 8.210 0.087 0.000 0.413 107 R N -1.388 119.161 120.500 0.082 0.000 2.083 107 R HA -0.265 nan 4.340 nan 0.000 0.237 107 R C 3.112 179.453 176.300 0.067 0.000 1.137 107 R CA 3.061 59.215 56.100 0.089 0.000 0.951 107 R CB -0.340 30.013 30.300 0.088 0.000 0.851 107 R HN -0.269 8.051 8.270 0.084 0.000 0.434 108 L N -1.184 120.065 121.223 0.043 0.000 2.201 108 L HA -0.240 nan 4.340 nan 0.000 0.212 108 L C 1.951 178.828 176.870 0.011 0.000 1.105 108 L CA 2.396 57.252 54.840 0.025 0.000 0.775 108 L CB -0.293 41.776 42.059 0.018 0.000 0.913 108 L HN 0.067 8.323 8.230 0.043 0.000 0.440 109 S N -0.631 115.067 115.700 -0.004 0.000 2.555 109 S HA -0.168 nan 4.470 nan 0.000 0.230 109 S C 0.386 174.955 174.600 -0.050 0.000 0.978 109 S CA 2.435 60.603 58.200 -0.054 0.000 0.934 109 S CB -0.661 62.459 63.200 -0.133 0.000 0.766 109 S HN -0.085 8.076 8.310 0.005 0.153 0.533 110 A N -0.866 121.959 122.820 0.008 0.000 2.307 110 A HA 0.171 nan 4.320 nan 0.000 0.218 110 A C -0.194 177.404 177.584 0.023 0.000 1.228 110 A CA 0.277 52.338 52.037 0.040 0.000 0.857 110 A CB -0.093 18.975 19.000 0.113 0.000 0.897 110 A HN -0.832 7.274 8.150 0.029 0.061 0.495 111 G N -2.143 106.659 108.800 0.004 0.000 4.579 111 G HA2 0.017 nan 3.960 nan 0.000 0.237 111 G HA3 0.017 nan 3.960 nan 0.000 0.237 111 G C -1.789 173.104 174.900 -0.012 0.000 2.441 111 G CA 0.710 45.807 45.100 -0.004 0.000 0.613 111 G HN -0.572 7.638 8.290 -0.001 0.079 0.284 112 G N -0.847 107.940 108.800 -0.021 0.000 2.384 112 G HA2 -0.129 nan 3.960 nan 0.000 0.300 112 G HA3 -0.129 nan 3.960 nan 0.000 0.300 112 G C -2.966 171.914 174.900 -0.032 0.000 1.582 112 G CA 0.199 45.286 45.100 -0.021 0.000 0.875 112 G HN -0.549 7.724 8.290 -0.028 0.000 0.628 113 D N 2.120 122.500 120.400 -0.032 0.000 2.441 113 D HA 0.206 nan 4.640 nan 0.000 0.221 113 D C -1.270 175.013 176.300 -0.027 0.000 1.156 113 D CA 0.015 53.975 54.000 -0.067 0.000 0.896 113 D CB 0.061 40.802 40.800 -0.098 0.000 1.028 113 D HN 0.064 8.422 8.370 -0.020 0.000 0.509 114 I N 1.395 121.954 120.570 -0.019 0.000 2.465 114 I HA 0.410 nan 4.170 nan 0.000 0.291 114 I C -0.560 175.618 176.117 0.103 0.000 1.014 114 I CA -2.297 59.058 61.300 0.091 0.000 1.093 114 I CB 1.988 40.039 38.000 0.085 0.000 1.267 114 I HN -0.513 7.664 8.210 -0.056 0.000 0.431 115 W N 6.177 127.488 121.300 0.018 0.000 2.160 115 W HA -0.155 nan 4.660 nan 0.000 0.352 115 W C -0.314 176.195 176.519 -0.016 0.000 1.288 115 W CA 1.458 58.794 57.345 -0.016 0.000 1.279 115 W CB 0.178 29.609 29.460 -0.048 0.000 1.181 115 W HN 0.524 9.056 8.180 0.587 0.000 0.593 116 V N 1.724 121.815 119.914 0.296 0.000 2.407 116 V HA 0.323 nan 4.120 nan 0.000 0.278 116 V C -0.846 175.356 176.094 0.179 0.000 1.037 116 V CA -0.400 62.005 62.300 0.176 0.000 0.900 116 V CB -0.355 31.560 31.823 0.154 0.000 0.983 116 V HN -0.061 8.352 8.190 0.371 0.000 0.459 117 T N 4.040 118.674 114.554 0.133 0.000 2.626 117 T HA 0.730 nan 4.350 nan 0.000 0.279 117 T C -1.140 173.608 174.700 0.081 0.000 0.983 117 T CA -1.683 60.453 62.100 0.060 0.000 1.059 117 T CB 3.226 72.091 68.868 -0.006 0.000 1.396 117 T HN 0.057 8.386 8.240 0.148 0.000 0.519 118 R N -2.433 118.097 120.500 0.049 0.000 3.110 118 R HA -0.002 nan 4.340 nan 0.000 0.287 118 R C -1.435 174.882 176.300 0.029 0.000 0.969 118 R CA 0.315 56.437 56.100 0.038 0.000 0.828 118 R CB 3.432 33.735 30.300 0.006 0.000 1.354 118 R HN -0.118 8.161 8.270 0.015 0.000 0.524 119 E N -2.397 117.787 120.200 -0.027 0.000 2.183 119 E HA -0.282 nan 4.350 nan 0.000 0.196 119 E C -2.063 174.667 176.600 0.217 0.000 1.364 119 E CA 0.836 57.265 56.400 0.049 0.000 0.700 119 E CB -1.936 27.802 29.700 0.063 0.000 1.106 119 E HN -0.147 8.376 8.360 -0.124 -0.239 0.347 120 P HA 0.402 nan 4.420 nan 0.000 0.293 120 P C -2.047 175.290 177.300 0.061 0.000 1.304 120 P CA -0.740 62.454 63.100 0.157 0.000 0.767 120 P CB 1.138 32.917 31.700 0.131 0.000 1.247 121 Y N -8.876 111.144 120.300 -0.467 0.000 2.889 121 Y HA 0.161 nan 4.550 nan 0.000 0.379 121 Y C -3.124 172.562 175.900 -0.355 0.000 1.179 121 Y CA -0.834 56.715 58.100 -0.918 0.000 1.178 121 Y CB 0.665 38.898 38.460 -0.380 0.000 1.460 121 Y HN -0.003 8.144 8.280 -0.222 0.000 0.472 122 V N -2.484 117.352 119.914 -0.131 0.000 3.007 122 V HA 0.785 nan 4.120 nan 0.000 0.311 122 V C -2.667 173.380 176.094 -0.079 0.000 1.120 122 V CA -2.517 59.713 62.300 -0.116 0.000 0.980 122 V CB 3.482 35.113 31.823 -0.320 0.000 1.033 122 V HN 0.247 8.411 8.190 -0.044 0.000 0.429 123 S N 2.968 118.732 115.700 0.107 0.000 2.537 123 S HA 0.504 nan 4.470 nan 0.000 0.271 123 S C -1.538 173.363 174.600 0.501 0.000 1.148 123 S CA -0.701 57.678 58.200 0.298 0.000 0.868 123 S CB 2.752 66.287 63.200 0.559 0.000 1.115 123 S HN -0.133 8.313 8.310 0.226 0.000 0.461 124 c N 2.647 121.483 118.600 0.392 0.000 2.493 124 c HA 0.956 nan 4.570 nan 0.000 0.326 124 c C 0.154 174.347 174.090 0.171 0.000 1.200 124 c CA -2.389 54.158 56.329 0.364 0.000 1.739 124 c CB 3.002 45.641 42.510 0.214 0.000 2.300 124 c HN 0.853 9.291 8.230 0.347 0.000 0.500 125 D N 2.821 123.272 120.400 0.084 0.000 2.478 125 D HA 0.228 nan 4.640 nan 0.000 0.269 125 D C -1.172 174.917 176.300 -0.351 0.000 1.232 125 D CA -1.309 52.383 54.000 -0.513 0.000 1.059 125 D CB -0.576 39.938 40.800 -0.478 0.000 1.104 125 D HN 0.331 8.930 8.370 0.382 0.000 0.566 126 P HA -0.145 nan 4.420 nan 0.000 0.239 126 P C -1.023 176.190 177.300 -0.146 0.000 1.184 126 P CA 1.078 64.011 63.100 -0.278 0.000 0.760 126 P CB 0.024 31.555 31.700 -0.282 0.000 0.884 127 V N -9.251 110.604 119.914 -0.098 0.000 3.250 127 V HA 0.132 nan 4.120 nan 0.000 0.240 127 V C -1.495 174.589 176.094 -0.016 0.000 1.275 127 V CA 0.061 62.336 62.300 -0.041 0.000 1.206 127 V CB 2.008 33.816 31.823 -0.025 0.000 0.976 127 V HN 0.092 8.419 8.190 -0.111 -0.204 0.467 128 K N -3.991 116.412 120.400 0.004 0.000 2.533 128 K HA 0.185 nan 4.320 nan 0.000 0.272 128 K C -1.981 174.550 176.600 -0.116 0.000 0.985 128 K CA -1.431 54.809 56.287 -0.078 0.000 0.876 128 K CB 2.793 35.181 32.500 -0.186 0.000 1.452 128 K HN -0.827 7.855 8.250 0.055 -0.400 0.439 129 c N -0.236 118.223 118.600 -0.236 0.000 2.366 129 c HA 0.864 nan 4.570 nan 0.000 0.345 129 c C -0.544 173.207 174.090 -0.564 0.000 1.209 129 c CA -0.837 55.382 56.329 -0.184 0.000 2.050 129 c CB 0.905 43.389 42.510 -0.043 0.000 2.359 129 c HN 0.471 8.567 8.230 -0.222 0.000 0.527 130 Y N -0.628 119.663 120.300 -0.015 0.000 2.633 130 Y HA 0.608 nan 4.550 nan 0.000 0.339 130 Y C -1.865 173.870 175.900 -0.275 0.000 1.045 130 Y CA -1.781 56.190 58.100 -0.216 0.000 1.098 130 Y CB 3.877 42.095 38.460 -0.402 0.000 1.296 130 Y HN 0.724 9.152 8.280 0.247 0.000 0.494 131 Q N -2.621 117.020 119.800 -0.265 0.000 2.337 131 Q HA 0.765 nan 4.340 nan 0.000 0.270 131 Q C -1.502 174.326 176.000 -0.287 0.000 1.043 131 Q CA -1.686 53.991 55.803 -0.211 0.000 0.794 131 Q CB 3.130 31.739 28.738 -0.216 0.000 1.281 131 Q HN 0.722 8.817 8.270 -0.292 0.000 0.446 132 F N 2.490 122.223 119.950 -0.361 0.000 2.557 132 F HA 0.847 nan 4.527 nan 0.000 0.336 132 F C -1.412 174.181 175.800 -0.344 0.000 1.058 132 F CA -2.172 55.524 58.000 -0.506 0.000 0.988 132 F CB 4.042 42.350 39.000 -1.153 0.000 1.275 132 F HN 0.855 9.012 8.300 -0.059 0.107 0.488 133 A N -2.854 119.850 122.820 -0.194 0.000 2.586 133 A HA 0.426 nan 4.320 nan 0.000 0.298 133 A C -2.628 174.784 177.584 -0.288 0.000 1.013 133 A CA 0.462 52.390 52.037 -0.181 0.000 0.707 133 A CB 2.639 21.524 19.000 -0.191 0.000 1.276 133 A HN 0.004 8.002 8.150 -0.254 0.000 0.414 134 L N 1.702 122.848 121.223 -0.128 0.000 2.261 134 L HA 0.489 nan 4.340 nan 0.000 0.289 134 L C 0.187 176.964 176.870 -0.156 0.000 1.059 134 L CA -0.980 53.786 54.840 -0.124 0.000 0.816 134 L CB -0.059 42.007 42.059 0.011 0.000 1.191 134 L HN -0.017 8.195 8.230 -0.031 0.000 0.431 135 G N 2.056 110.683 108.800 -0.289 0.000 2.611 135 G HA2 0.025 nan 3.960 nan 0.000 0.273 135 G HA3 0.025 nan 3.960 nan 0.000 0.273 135 G C -1.112 173.811 174.900 0.039 0.000 1.305 135 G CA -0.352 44.635 45.100 -0.189 0.000 1.010 135 G HN -0.034 8.015 8.290 -0.402 0.000 0.509 136 Q N -0.556 119.364 119.800 0.200 0.000 2.141 136 Q HA 0.146 nan 4.340 nan 0.000 0.248 136 Q C 0.133 176.317 176.000 0.307 0.000 0.834 136 Q CA -1.720 54.218 55.803 0.226 0.000 1.096 136 Q CB 0.855 29.717 28.738 0.207 0.000 1.189 136 Q HN -0.173 8.276 8.270 0.298 0.000 0.471 137 G N -1.501 107.550 108.800 0.419 0.000 2.356 137 G HA2 -0.339 nan 3.960 nan 0.000 0.296 137 G HA3 -0.339 nan 3.960 nan 0.000 0.296 137 G C -1.562 173.475 174.900 0.228 0.000 1.022 137 G CA 0.967 46.330 45.100 0.438 0.000 0.961 137 G HN 0.351 8.805 8.290 0.397 0.074 0.510 138 T N -3.556 111.102 114.554 0.173 0.000 2.663 138 T HA 0.177 nan 4.350 nan 0.000 0.305 138 T C -2.413 172.184 174.700 -0.172 0.000 1.660 138 T CA -0.439 61.611 62.100 -0.083 0.000 0.976 138 T CB 2.184 71.096 68.868 0.074 0.000 1.705 138 T HN -0.399 8.113 8.240 0.461 0.004 0.494 139 T N 2.465 116.890 114.554 -0.215 0.000 2.912 139 T HA 0.688 nan 4.350 nan 0.000 0.288 139 T C -1.066 173.557 174.700 -0.129 0.000 1.030 139 T CA -0.535 61.439 62.100 -0.211 0.000 1.020 139 T CB 1.902 70.591 68.868 -0.299 0.000 1.056 139 T HN 0.135 8.263 8.240 -0.188 0.000 0.480 140 L N 1.677 122.799 121.223 -0.169 0.000 1.994 140 L HA -0.194 nan 4.340 nan 0.000 0.208 140 L C -0.248 176.486 176.870 -0.225 0.000 1.071 140 L CA 3.481 58.141 54.840 -0.299 0.000 0.745 140 L CB 0.673 42.444 42.059 -0.480 0.000 0.892 140 L HN -0.219 7.917 8.230 -0.156 0.000 0.431 141 D N -3.281 117.022 120.400 -0.161 0.000 2.713 141 D HA -0.006 nan 4.640 nan 0.000 0.229 141 D C -1.497 174.765 176.300 -0.063 0.000 1.136 141 D CA 0.074 54.025 54.000 -0.082 0.000 1.010 141 D CB -1.741 39.019 40.800 -0.068 0.000 1.084 141 D HN -0.038 8.233 8.370 -0.166 0.000 0.495 142 N N 0.894 119.574 118.700 -0.033 0.000 2.452 142 N HA 0.064 nan 4.740 nan 0.000 0.277 142 N C 0.347 175.900 175.510 0.073 0.000 1.078 142 N CA -0.042 52.994 53.050 -0.024 0.000 0.947 142 N CB 1.924 40.359 38.487 -0.088 0.000 1.655 142 N HN -0.517 7.801 8.380 -0.010 0.055 0.490 143 K N 3.714 124.179 120.400 0.108 0.000 2.281 143 K HA -0.352 nan 4.320 nan 0.000 0.203 143 K C 1.515 178.233 176.600 0.198 0.000 1.046 143 K CA 3.017 59.391 56.287 0.145 0.000 0.938 143 K CB -0.074 32.499 32.500 0.123 0.000 0.737 143 K HN 0.713 9.005 8.250 0.070 0.000 0.458 144 H N -2.238 116.842 119.070 0.016 0.000 2.546 144 H HA -0.067 nan 4.556 nan 0.000 0.277 144 H C 1.064 176.440 175.328 0.079 0.000 1.004 144 H CA 1.387 57.455 56.048 0.033 0.000 1.231 144 H CB -0.301 29.463 29.762 0.005 0.000 1.382 144 H HN 0.069 8.491 8.280 0.341 0.063 0.580 145 S N -1.672 114.156 115.700 0.214 0.000 2.489 145 S HA -0.184 nan 4.470 nan 0.000 0.228 145 S C 0.277 175.051 174.600 0.290 0.000 0.995 145 S CA 0.932 59.270 58.200 0.231 0.000 0.934 145 S CB 0.630 63.945 63.200 0.192 0.000 0.771 145 S HN 0.069 8.340 8.310 0.193 0.155 0.522 146 N N 2.625 121.469 118.700 0.240 0.000 2.357 146 N HA -0.285 nan 4.740 nan 0.000 0.257 146 N C -0.155 175.485 175.510 0.217 0.000 1.250 146 N CA 1.721 54.907 53.050 0.226 0.000 0.862 146 N CB 0.039 38.554 38.487 0.048 0.000 1.066 146 N HN -0.850 7.605 8.380 0.193 0.041 0.468 147 D N 2.130 122.697 120.400 0.278 0.000 2.835 147 D HA -0.339 nan 4.640 nan 0.000 0.230 147 D C -0.040 176.423 176.300 0.271 0.000 1.130 147 D CA 1.255 55.418 54.000 0.271 0.000 0.738 147 D CB -0.412 40.551 40.800 0.270 0.000 1.090 147 D HN 0.104 8.687 8.370 0.356 0.000 0.433 148 T N -7.908 106.782 114.554 0.226 0.000 3.219 148 T HA 0.072 nan 4.350 nan 0.000 0.249 148 T C 0.203 174.965 174.700 0.103 0.000 1.099 148 T CA 0.236 62.456 62.100 0.200 0.000 0.988 148 T CB -0.309 68.701 68.868 0.237 0.000 0.999 148 T HN -0.384 8.008 8.240 0.255 0.000 0.550 149 V N -1.518 118.377 119.914 -0.031 0.000 2.515 149 V HA -0.116 nan 4.120 nan 0.000 0.250 149 V C 1.038 177.000 176.094 -0.221 0.000 1.058 149 V CA 1.433 63.639 62.300 -0.157 0.000 1.064 149 V CB -0.853 30.815 31.823 -0.258 0.000 0.675 149 V HN -0.364 7.706 8.190 -0.018 0.109 0.461 150 H N 0.216 119.308 119.070 0.036 0.000 3.004 150 H HA -0.010 nan 4.556 nan 0.000 0.316 150 H C -0.053 175.265 175.328 -0.016 0.000 1.014 150 H CA 0.721 56.768 56.048 -0.002 0.000 1.454 150 H CB 0.382 30.139 29.762 -0.008 0.000 1.472 150 H HN -0.607 7.412 8.280 -0.378 0.034 0.571 151 D N 2.498 122.916 120.400 0.030 0.000 2.183 151 D HA -0.140 nan 4.640 nan 0.000 0.203 151 D C -0.851 175.400 176.300 -0.083 0.000 0.969 151 D CA 2.260 56.243 54.000 -0.028 0.000 0.842 151 D CB 0.640 41.398 40.800 -0.070 0.000 0.957 151 D HN 0.185 8.567 8.370 0.019 0.000 0.484 152 R N -3.011 117.379 120.500 -0.183 0.000 2.467 152 R HA 0.229 nan 4.340 nan 0.000 0.299 152 R C -1.492 174.711 176.300 -0.162 0.000 1.120 152 R CA -0.769 55.120 56.100 -0.352 0.000 0.940 152 R CB 0.755 30.407 30.300 -1.080 0.000 1.161 152 R HN -0.388 7.804 8.270 -0.131 0.000 0.506 153 I N -0.797 119.771 120.570 -0.002 0.000 2.957 153 I HA 0.700 nan 4.170 nan 0.000 0.310 153 I C -1.043 175.059 176.117 -0.025 0.000 1.063 153 I CA -4.449 56.817 61.300 -0.057 0.000 1.033 153 I CB 2.214 40.167 38.000 -0.078 0.000 1.230 153 I HN 0.042 8.298 8.210 0.077 0.000 0.447 154 P HA -0.067 nan 4.420 nan 0.000 0.237 154 P C -0.629 176.605 177.300 -0.109 0.000 1.178 154 P CA 2.058 65.061 63.100 -0.162 0.000 0.766 154 P CB -0.171 31.419 31.700 -0.183 0.000 0.876 155 H N -3.280 115.856 119.070 0.110 0.000 2.548 155 H HA 0.112 nan 4.556 nan 0.000 0.265 155 H C -0.649 174.741 175.328 0.103 0.000 0.969 155 H CA -0.727 55.384 56.048 0.105 0.000 1.155 155 H CB -0.378 29.454 29.762 0.117 0.000 1.394 155 H HN -0.094 7.831 8.280 -0.468 0.075 0.570 156 R N 0.495 121.090 120.500 0.157 0.000 2.316 156 R HA 0.054 nan 4.340 nan 0.000 0.314 156 R C -1.039 175.277 176.300 0.026 0.000 1.069 156 R CA 0.619 56.783 56.100 0.107 0.000 0.959 156 R CB 0.300 30.688 30.300 0.148 0.000 0.987 156 R HN -0.906 7.394 8.270 0.132 0.049 0.446 157 T N -0.630 113.888 114.554 -0.060 0.000 2.916 157 T HA 0.519 nan 4.350 nan 0.000 0.292 157 T C -2.024 172.535 174.700 -0.235 0.000 1.055 157 T CA -2.525 59.492 62.100 -0.137 0.000 1.009 157 T CB 2.869 71.652 68.868 -0.141 0.000 1.118 157 T HN 0.115 8.301 8.240 -0.091 0.000 0.497 158 L N 2.419 123.500 121.223 -0.237 0.000 2.283 158 L HA 0.608 nan 4.340 nan 0.000 0.287 158 L C -1.704 174.931 176.870 -0.392 0.000 1.073 158 L CA -0.923 53.762 54.840 -0.258 0.000 0.822 158 L CB 0.627 42.586 42.059 -0.166 0.000 1.186 158 L HN 0.393 8.386 8.230 -0.209 0.111 0.436 159 L N 6.717 127.602 121.223 -0.563 0.000 2.375 159 L HA 0.478 nan 4.340 nan 0.000 0.271 159 L C -1.406 175.106 176.870 -0.598 0.000 1.107 159 L CA -0.576 53.821 54.840 -0.738 0.000 0.806 159 L CB 0.996 42.279 42.059 -1.293 0.000 1.146 159 L HN 0.703 8.588 8.230 -0.575 0.000 0.447 160 M N 1.208 120.504 119.600 -0.508 0.000 2.206 160 M HA 0.236 nan 4.480 nan 0.000 0.272 160 M C -2.583 173.525 176.300 -0.321 0.000 1.012 160 M CA -0.152 54.771 55.300 -0.628 0.000 0.986 160 M CB 2.662 34.742 32.600 -0.866 0.000 1.740 160 M HN -0.326 7.697 8.290 -0.446 0.000 0.472 161 N N 5.597 124.187 118.700 -0.183 0.000 2.455 161 N HA 0.373 nan 4.740 nan 0.000 0.278 161 N C -2.091 173.386 175.510 -0.056 0.000 1.291 161 N CA -0.784 52.220 53.050 -0.075 0.000 0.780 161 N CB 4.249 42.680 38.487 -0.094 0.000 1.520 161 N HN 0.139 8.380 8.380 -0.232 0.000 0.486 162 E N -0.078 120.086 120.200 -0.060 0.000 2.418 162 E HA -0.075 nan 4.350 nan 0.000 0.261 162 E C -0.445 175.977 176.600 -0.296 0.000 1.070 162 E CA 1.063 57.293 56.400 -0.284 0.000 0.931 162 E CB 0.651 30.207 29.700 -0.239 0.000 0.954 162 E HN 0.185 8.531 8.360 -0.023 0.000 0.439 163 L N 2.796 123.806 121.223 -0.355 0.000 2.534 163 L HA -0.280 nan 4.340 nan 0.000 0.271 163 L C 0.034 176.734 176.870 -0.284 0.000 1.178 163 L CA 1.494 56.157 54.840 -0.295 0.000 0.907 163 L CB -0.019 41.881 42.059 -0.265 0.000 1.164 163 L HN 0.349 8.228 8.230 -0.456 0.077 0.482 164 G N 4.022 112.661 108.800 -0.269 0.000 2.255 164 G HA2 -0.253 nan 3.960 nan 0.000 0.196 164 G HA3 -0.253 nan 3.960 nan 0.000 0.196 164 G C -1.314 173.461 174.900 -0.208 0.000 0.998 164 G CA -0.239 44.718 45.100 -0.237 0.000 0.656 164 G HN -0.133 7.985 8.290 -0.286 0.000 0.490 165 V N 1.660 121.440 119.914 -0.222 0.000 2.328 165 V HA 0.480 nan 4.120 nan 0.000 0.278 165 V C -2.648 173.301 176.094 -0.241 0.000 1.021 165 V CA -3.875 58.326 62.300 -0.164 0.000 0.838 165 V CB 0.982 32.756 31.823 -0.082 0.000 0.999 165 V HN -0.604 7.379 8.190 -0.252 0.056 0.447 166 P HA -0.030 nan 4.420 nan 0.000 0.270 166 P C -1.020 176.218 177.300 -0.104 0.000 1.221 166 P CA 0.013 62.984 63.100 -0.214 0.000 0.788 166 P CB 0.614 32.293 31.700 -0.034 0.000 0.904 167 F N -0.015 119.970 119.950 0.058 0.000 2.567 167 F HA 0.168 nan 4.527 nan 0.000 0.352 167 F C -0.536 175.400 175.800 0.227 0.000 1.229 167 F CA -1.344 56.672 58.000 0.026 0.000 1.228 167 F CB -1.520 37.445 39.000 -0.059 0.000 1.568 167 F HN 0.471 8.746 8.300 -0.041 0.000 0.634 168 H N -0.687 118.578 119.070 0.326 0.000 2.500 168 H HA 0.482 nan 4.556 nan 0.000 0.351 168 H C 0.728 176.218 175.328 0.269 0.000 1.281 168 H CA -2.079 54.101 56.048 0.220 0.000 1.368 168 H CB 1.426 31.240 29.762 0.087 0.000 1.616 168 H HN -0.120 8.093 8.280 -0.051 0.036 0.591 169 L N -2.007 119.290 121.223 0.123 0.000 2.129 169 L HA -0.393 nan 4.340 nan 0.000 0.212 169 L C 1.033 177.949 176.870 0.077 0.000 1.087 169 L CA 1.942 56.803 54.840 0.035 0.000 0.757 169 L CB -0.309 41.735 42.059 -0.025 0.000 0.896 169 L HN 0.131 8.457 8.230 0.160 0.000 0.434 170 G N -4.201 104.639 108.800 0.066 0.000 3.279 170 G HA2 -0.003 nan 3.960 nan 0.000 0.230 170 G HA3 -0.003 nan 3.960 nan 0.000 0.230 170 G C -0.286 174.548 174.900 -0.110 0.000 1.230 170 G CA -0.534 44.596 45.100 0.049 0.000 0.891 170 G HN -0.756 7.666 8.290 0.279 0.035 0.518 171 T N 1.688 116.146 114.554 -0.160 0.000 2.889 171 T HA -0.001 nan 4.350 nan 0.000 0.291 171 T C -0.548 174.090 174.700 -0.103 0.000 0.995 171 T CA 0.454 62.459 62.100 -0.159 0.000 1.092 171 T CB 0.594 69.369 68.868 -0.154 0.000 0.954 171 T HN -0.648 7.480 8.240 -0.021 0.099 0.506 172 R N 4.878 125.282 120.500 -0.159 0.000 2.216 172 R HA 0.059 nan 4.340 nan 0.000 0.332 172 R C -0.478 175.662 176.300 -0.267 0.000 1.056 172 R CA -0.592 55.407 56.100 -0.168 0.000 0.901 172 R CB 0.651 30.855 30.300 -0.160 0.000 1.039 172 R HN 0.446 8.616 8.270 -0.166 0.000 0.456 173 Q N 6.107 125.765 119.800 -0.237 0.000 2.381 173 Q HA -0.067 nan 4.340 nan 0.000 0.243 173 Q C 0.594 176.445 176.000 -0.248 0.000 1.154 173 Q CA 0.622 56.243 55.803 -0.304 0.000 0.899 173 Q CB -0.531 28.078 28.738 -0.216 0.000 1.396 173 Q HN 0.372 8.557 8.270 -0.141 0.000 0.485 174 V N -0.352 119.375 119.914 -0.312 0.000 2.720 174 V HA -0.137 nan 4.120 nan 0.000 0.256 174 V C -1.155 174.790 176.094 -0.249 0.000 1.082 174 V CA 1.060 63.173 62.300 -0.313 0.000 1.101 174 V CB -0.235 31.288 31.823 -0.499 0.000 0.693 174 V HN 0.466 8.435 8.190 -0.369 0.000 0.479 175 c N -4.877 113.590 118.600 -0.221 0.000 3.231 175 c HA 0.207 nan 4.570 nan 0.000 0.343 175 c C -1.889 172.113 174.090 -0.147 0.000 1.349 175 c CA -1.800 54.433 56.329 -0.160 0.000 1.209 175 c CB 1.383 43.799 42.510 -0.156 0.000 1.475 175 c HN -0.864 7.182 8.230 -0.242 0.039 0.460 176 I N 1.215 121.711 120.570 -0.124 0.000 2.342 176 I HA 0.407 nan 4.170 nan 0.000 0.291 176 I C -0.876 175.135 176.117 -0.175 0.000 1.010 176 I CA -0.275 60.955 61.300 -0.116 0.000 1.308 176 I CB 0.615 38.563 38.000 -0.087 0.000 1.400 176 I HN 0.371 8.512 8.210 -0.115 0.000 0.488 177 A N 7.995 130.717 122.820 -0.163 0.000 2.560 177 A HA 0.344 nan 4.320 nan 0.000 0.300 177 A C -1.751 175.789 177.584 -0.074 0.000 1.062 177 A CA 0.141 52.042 52.037 -0.227 0.000 0.767 177 A CB 2.200 21.083 19.000 -0.195 0.000 1.288 177 A HN 0.631 8.594 8.150 -0.105 0.124 0.396 178 W N -1.251 120.022 121.300 -0.045 0.000 3.123 178 W HA 0.273 nan 4.660 nan 0.000 0.383 178 W C -1.383 175.126 176.519 -0.017 0.000 1.102 178 W CA -1.857 55.471 57.345 -0.028 0.000 1.865 178 W CB 0.649 30.094 29.460 -0.024 0.000 1.111 178 W HN 0.897 8.591 8.180 -0.636 0.104 0.621 179 S N -0.292 115.508 115.700 0.168 0.000 2.547 179 S HA 0.433 nan 4.470 nan 0.000 0.270 179 S C -2.408 172.186 174.600 -0.011 0.000 1.150 179 S CA -0.021 58.263 58.200 0.141 0.000 0.850 179 S CB 2.114 65.418 63.200 0.174 0.000 1.118 179 S HN -0.761 7.436 8.310 -0.057 0.079 0.461 180 S N 2.202 117.903 115.700 0.001 0.000 2.636 180 S HA 0.664 nan 4.470 nan 0.000 0.266 180 S C -2.749 171.786 174.600 -0.108 0.000 1.147 180 S CA -0.701 57.479 58.200 -0.033 0.000 0.815 180 S CB 2.733 65.964 63.200 0.052 0.000 1.119 180 S HN 0.814 9.414 8.310 0.022 -0.276 0.470 181 S N -1.413 114.238 115.700 -0.081 0.000 2.556 181 S HA 0.290 nan 4.470 nan 0.000 0.280 181 S C -2.460 172.149 174.600 0.015 0.000 1.141 181 S CA 0.581 58.700 58.200 -0.136 0.000 0.883 181 S CB 1.723 64.874 63.200 -0.083 0.000 1.103 181 S HN -0.119 8.181 8.310 -0.017 0.000 0.453 182 S N 4.777 120.505 115.700 0.047 0.000 2.546 182 S HA 0.908 nan 4.470 nan 0.000 0.274 182 S C -1.540 173.246 174.600 0.310 0.000 1.121 182 S CA -0.731 57.556 58.200 0.145 0.000 0.887 182 S CB 3.473 66.617 63.200 -0.095 0.000 1.094 182 S HN -0.012 8.301 8.310 0.005 0.000 0.474 183 c N 0.014 118.863 118.600 0.415 0.000 3.285 183 c HA 0.570 nan 4.570 nan 0.000 0.325 183 c C -2.401 171.787 174.090 0.164 0.000 1.304 183 c CA -1.947 54.593 56.329 0.352 0.000 1.319 183 c CB 3.425 46.073 42.510 0.230 0.000 1.640 183 c HN 0.827 9.269 8.230 0.354 0.000 0.477 184 H N 2.272 121.205 119.070 -0.229 0.000 2.595 184 H HA 0.341 nan 4.556 nan 0.000 0.313 184 H C 0.411 175.670 175.328 -0.116 0.000 1.023 184 H CA -1.800 53.975 56.048 -0.455 0.000 1.218 184 H CB 1.939 31.067 29.762 -1.057 0.000 1.403 184 H HN 0.543 8.859 8.280 0.060 0.000 0.477 185 D N 6.309 126.723 120.400 0.024 0.000 2.392 185 D HA -0.238 nan 4.640 nan 0.000 0.228 185 D C 0.917 177.393 176.300 0.293 0.000 1.003 185 D CA 1.179 55.295 54.000 0.194 0.000 0.917 185 D CB 0.133 41.072 40.800 0.232 0.000 0.890 185 D HN -0.124 8.190 8.370 -0.093 0.000 0.532 186 G N -1.276 107.764 108.800 0.399 0.000 2.253 186 G HA2 -0.337 nan 3.960 nan 0.000 0.209 186 G HA3 -0.337 nan 3.960 nan 0.000 0.209 186 G C 0.120 175.160 174.900 0.234 0.000 0.997 186 G CA 0.588 45.856 45.100 0.280 0.000 0.640 186 G HN 0.173 8.676 8.290 0.545 0.114 0.496 187 K N -0.346 120.110 120.400 0.093 0.000 2.424 187 K HA 0.224 nan 4.320 nan 0.000 0.198 187 K C -1.245 175.201 176.600 -0.255 0.000 1.190 187 K CA 0.068 56.340 56.287 -0.026 0.000 0.935 187 K CB 2.467 34.942 32.500 -0.042 0.000 1.087 187 K HN 0.313 8.851 8.250 0.103 -0.226 0.524 188 A N -2.107 120.310 122.820 -0.672 0.000 2.586 188 A HA 0.354 nan 4.320 nan 0.000 0.290 188 A C -2.666 174.306 177.584 -1.020 0.000 1.086 188 A CA -0.719 50.783 52.037 -0.891 0.000 0.665 188 A CB 2.173 20.648 19.000 -0.875 0.000 1.279 188 A HN -0.504 7.588 8.150 -0.549 -0.272 0.423 189 W N -1.634 119.257 121.300 -0.681 0.000 2.316 189 W HA 0.443 nan 4.660 nan 0.000 0.311 189 W C -0.832 175.389 176.519 -0.497 0.000 1.217 189 W CA -0.855 56.209 57.345 -0.468 0.000 1.199 189 W CB 1.579 30.841 29.460 -0.329 0.000 1.202 189 W HN 0.142 8.136 8.180 -0.310 0.000 0.528 190 L N 2.428 123.650 121.223 -0.001 0.000 2.329 190 L HA 0.772 nan 4.340 nan 0.000 0.279 190 L C -2.126 174.646 176.870 -0.164 0.000 1.014 190 L CA -1.045 53.839 54.840 0.073 0.000 0.814 190 L CB 2.892 45.113 42.059 0.270 0.000 1.257 190 L HN 0.852 9.058 8.230 0.138 0.107 0.424 191 H N 4.352 123.529 119.070 0.178 0.000 2.689 191 H HA 0.536 nan 4.556 nan 0.000 0.346 191 H C -2.127 173.180 175.328 -0.035 0.000 1.037 191 H CA -1.105 54.977 56.048 0.057 0.000 1.234 191 H CB 2.992 32.759 29.762 0.010 0.000 1.572 191 H HN 0.509 8.865 8.280 0.127 0.000 0.524 192 V N 1.330 121.245 119.914 0.000 0.000 2.334 192 V HA 0.674 nan 4.120 nan 0.000 0.281 192 V C -2.040 173.912 176.094 -0.235 0.000 1.016 192 V CA -2.363 59.779 62.300 -0.264 0.000 0.832 192 V CB 0.284 31.917 31.823 -0.316 0.000 0.999 192 V HN 0.558 8.772 8.190 0.041 0.000 0.439 193 c N 8.376 126.801 118.600 -0.293 0.000 2.411 193 c HA 0.815 nan 4.570 nan 0.000 0.330 193 c C -1.275 172.593 174.090 -0.370 0.000 1.224 193 c CA -2.536 53.635 56.329 -0.264 0.000 1.770 193 c CB 1.714 44.101 42.510 -0.204 0.000 2.297 193 c HN -0.009 8.006 8.230 -0.359 0.000 0.507 194 I N 2.619 122.914 120.570 -0.459 0.000 2.468 194 I HA 0.555 nan 4.170 nan 0.000 0.285 194 I C -1.619 173.780 176.117 -1.196 0.000 1.039 194 I CA -0.488 60.387 61.300 -0.709 0.000 1.074 194 I CB 2.245 39.811 38.000 -0.723 0.000 1.228 194 I HN 0.071 8.039 8.210 -0.403 0.000 0.436 195 T N 3.713 117.685 114.554 -0.970 0.000 2.865 195 T HA 0.591 nan 4.350 nan 0.000 0.294 195 T C -1.720 172.734 174.700 -0.410 0.000 1.119 195 T CA -2.325 59.202 62.100 -0.955 0.000 1.007 195 T CB 3.317 71.943 68.868 -0.404 0.000 1.225 195 T HN -0.039 7.821 8.240 -0.634 0.000 0.515 196 G N 0.478 109.284 108.800 0.011 0.000 2.334 196 G HA2 -0.188 nan 3.960 nan 0.000 0.315 196 G HA3 -0.188 nan 3.960 nan 0.000 0.315 196 G C -1.742 173.311 174.900 0.256 0.000 1.284 196 G CA -0.390 44.770 45.100 0.100 0.000 0.985 196 G HN -0.220 8.207 8.290 0.229 0.000 0.504 197 D N 1.402 121.891 120.400 0.148 0.000 2.368 197 D HA -0.026 nan 4.640 nan 0.000 0.240 197 D C -0.034 176.370 176.300 0.172 0.000 1.169 197 D CA 0.456 54.528 54.000 0.121 0.000 0.906 197 D CB 0.584 41.420 40.800 0.061 0.000 1.187 197 D HN -0.195 8.230 8.370 0.093 0.000 0.435 198 D N 1.314 121.763 120.400 0.081 0.000 2.149 198 D HA -0.199 nan 4.640 nan 0.000 0.201 198 D C 1.740 178.063 176.300 0.039 0.000 0.972 198 D CA 3.545 57.564 54.000 0.031 0.000 0.835 198 D CB 0.276 41.024 40.800 -0.088 0.000 0.966 198 D HN 0.215 8.604 8.370 0.032 0.000 0.476 199 K N -2.484 117.929 120.400 0.022 0.000 2.217 199 K HA -0.090 nan 4.320 nan 0.000 0.202 199 K C -0.440 176.173 176.600 0.022 0.000 1.051 199 K CA 1.394 57.689 56.287 0.013 0.000 0.952 199 K CB 0.216 32.720 32.500 0.007 0.000 0.736 199 K HN 0.010 8.266 8.250 0.018 0.005 0.453 200 N N -4.196 114.528 118.700 0.039 0.000 2.653 200 N HA 0.038 nan 4.740 nan 0.000 0.261 200 N C -2.509 173.029 175.510 0.046 0.000 1.216 200 N CA -1.104 51.965 53.050 0.033 0.000 0.784 200 N CB 0.658 39.161 38.487 0.027 0.000 1.327 200 N HN -0.345 7.929 8.380 0.055 0.139 0.539 201 A N 1.558 124.401 122.820 0.038 0.000 2.350 201 A HA 0.678 nan 4.320 nan 0.000 0.318 201 A C -2.360 175.187 177.584 -0.061 0.000 1.132 201 A CA -2.174 49.870 52.037 0.011 0.000 0.811 201 A CB 3.197 22.244 19.000 0.078 0.000 1.313 201 A HN -0.187 7.974 8.150 0.018 0.000 0.454 202 T N -1.415 113.067 114.554 -0.121 0.000 2.893 202 T HA 0.803 nan 4.350 nan 0.000 0.291 202 T C -2.355 172.230 174.700 -0.190 0.000 1.028 202 T CA -1.956 60.083 62.100 -0.103 0.000 0.995 202 T CB 2.643 71.476 68.868 -0.058 0.000 1.051 202 T HN 0.092 8.228 8.240 -0.172 0.000 0.470 203 A N 5.485 128.220 122.820 -0.141 0.000 2.311 203 A HA 0.780 nan 4.320 nan 0.000 0.306 203 A C -1.782 175.633 177.584 -0.281 0.000 1.189 203 A CA -1.961 49.913 52.037 -0.272 0.000 0.791 203 A CB 1.870 20.712 19.000 -0.263 0.000 1.172 203 A HN 0.944 9.072 8.150 -0.037 0.000 0.481 204 S N 3.767 119.262 115.700 -0.343 0.000 2.508 204 S HA 0.603 nan 4.470 nan 0.000 0.284 204 S C -1.059 173.305 174.600 -0.393 0.000 1.192 204 S CA -1.315 56.761 58.200 -0.206 0.000 1.070 204 S CB 1.171 64.304 63.200 -0.111 0.000 1.004 204 S HN 0.410 8.510 8.310 -0.350 0.000 0.493 205 F N 4.007 123.979 119.950 0.037 0.000 2.293 205 F HA 0.339 nan 4.527 nan 0.000 0.370 205 F C -1.183 174.675 175.800 0.096 0.000 1.090 205 F CA -0.988 57.051 58.000 0.064 0.000 1.133 205 F CB -0.060 38.971 39.000 0.050 0.000 1.360 205 F HN 0.537 8.917 8.300 0.312 0.108 0.489 206 I N 3.191 123.876 120.570 0.192 0.000 2.315 206 I HA 0.319 nan 4.170 nan 0.000 0.291 206 I C -2.131 174.158 176.117 0.286 0.000 1.006 206 I CA -0.380 61.047 61.300 0.213 0.000 1.265 206 I CB 1.035 39.138 38.000 0.171 0.000 1.387 206 I HN 0.141 8.421 8.210 0.116 0.000 0.475 207 Y N 8.427 128.796 120.300 0.114 0.000 2.433 207 Y HA 0.132 nan 4.550 nan 0.000 0.337 207 Y C -1.601 174.346 175.900 0.078 0.000 1.026 207 Y CA -0.862 57.288 58.100 0.083 0.000 1.037 207 Y CB 3.686 42.192 38.460 0.077 0.000 1.245 207 Y HN 0.450 8.911 8.280 0.300 0.000 0.443 208 D N 8.325 128.523 120.400 -0.337 0.000 3.039 208 D HA -0.430 nan 4.640 nan 0.000 0.222 208 D C -0.335 175.957 176.300 -0.013 0.000 1.179 208 D CA 1.373 55.241 54.000 -0.220 0.000 0.880 208 D CB -0.279 40.426 40.800 -0.159 0.000 1.115 208 D HN 0.274 8.316 8.370 -0.546 0.000 0.416 209 G N -5.524 103.301 108.800 0.042 0.000 2.313 209 G HA2 -0.421 nan 3.960 nan 0.000 0.215 209 G HA3 -0.421 nan 3.960 nan 0.000 0.215 209 G C -0.423 174.519 174.900 0.071 0.000 1.023 209 G CA -0.180 44.953 45.100 0.055 0.000 0.626 209 G HN 0.321 8.592 8.290 0.061 0.055 0.503 210 R N 1.061 121.618 120.500 0.094 0.000 2.573 210 R HA 0.248 nan 4.340 nan 0.000 0.272 210 R C -1.669 174.703 176.300 0.119 0.000 1.009 210 R CA -1.876 54.280 56.100 0.094 0.000 1.059 210 R CB 2.024 32.379 30.300 0.091 0.000 1.112 210 R HN -0.511 7.752 8.270 0.108 0.072 0.517 211 L N 2.297 123.578 121.223 0.097 0.000 2.282 211 L HA 0.169 nan 4.340 nan 0.000 0.287 211 L C -0.547 176.391 176.870 0.113 0.000 1.075 211 L CA -0.344 54.560 54.840 0.107 0.000 0.839 211 L CB 0.277 42.380 42.059 0.073 0.000 1.219 211 L HN -0.030 8.246 8.230 0.076 0.000 0.434 212 V N 6.279 126.279 119.914 0.143 0.000 2.488 212 V HA -0.074 nan 4.120 nan 0.000 0.246 212 V C -0.559 175.593 176.094 0.098 0.000 1.046 212 V CA 1.787 64.154 62.300 0.111 0.000 1.053 212 V CB 0.244 32.128 31.823 0.102 0.000 0.679 212 V HN 0.541 8.839 8.190 0.180 0.000 0.458 213 D N -4.187 116.311 120.400 0.162 0.000 2.752 213 D HA 0.440 nan 4.640 nan 0.000 0.313 213 D C -2.393 174.087 176.300 0.301 0.000 1.225 213 D CA -0.909 53.186 54.000 0.157 0.000 0.976 213 D CB 3.943 44.756 40.800 0.021 0.000 1.443 213 D HN -0.612 7.897 8.370 0.231 0.000 0.515 214 S N -0.879 114.996 115.700 0.291 0.000 2.567 214 S HA 0.685 nan 4.470 nan 0.000 0.270 214 S C -1.755 173.018 174.600 0.287 0.000 1.152 214 S CA -0.528 57.862 58.200 0.317 0.000 0.835 214 S CB 2.038 65.326 63.200 0.146 0.000 1.115 214 S HN 0.138 8.552 8.310 0.173 0.000 0.459 215 I N 1.639 122.394 120.570 0.308 0.000 3.006 215 I HA 0.452 nan 4.170 nan 0.000 0.306 215 I C -2.103 174.116 176.117 0.170 0.000 1.250 215 I CA -1.009 60.446 61.300 0.259 0.000 0.996 215 I CB 4.633 42.864 38.000 0.384 0.000 1.261 215 I HN 0.545 8.915 8.210 0.267 0.000 0.442 216 G N 2.535 111.430 108.800 0.158 0.000 2.511 216 G HA2 0.481 nan 3.960 nan 0.000 0.318 216 G HA3 0.481 nan 3.960 nan 0.000 0.318 216 G C -1.925 173.027 174.900 0.087 0.000 1.210 216 G CA -1.610 43.545 45.100 0.093 0.000 0.969 216 G HN -0.009 8.397 8.290 0.193 0.000 0.484 217 S N 0.309 116.003 115.700 -0.011 0.000 2.563 217 S HA -0.182 nan 4.470 nan 0.000 0.294 217 S C 0.009 174.625 174.600 0.026 0.000 1.279 217 S CA 0.608 58.739 58.200 -0.115 0.000 1.069 217 S CB 0.819 63.970 63.200 -0.082 0.000 0.828 217 S HN -0.110 8.193 8.310 -0.011 0.000 0.497 218 W N 4.266 125.590 121.300 0.040 0.000 3.103 218 W HA 0.356 nan 4.660 nan 0.000 0.325 218 W C -0.921 175.613 176.519 0.025 0.000 1.170 218 W CA -1.065 56.298 57.345 0.029 0.000 1.712 218 W CB 0.344 29.820 29.460 0.026 0.000 1.068 218 W HN -0.025 7.885 8.180 -0.627 -0.106 0.592 219 S N -0.837 114.909 115.700 0.075 0.000 2.819 219 S HA 0.068 nan 4.470 nan 0.000 0.249 219 S C -0.306 174.304 174.600 0.018 0.000 1.030 219 S CA -0.279 57.983 58.200 0.103 0.000 1.052 219 S CB 0.721 63.991 63.200 0.116 0.000 1.017 219 S HN -0.128 8.446 8.310 -0.162 -0.361 0.576 220 Q N -2.708 117.085 119.800 -0.011 0.000 2.422 220 Q HA -0.353 nan 4.340 nan 0.000 0.245 220 Q C -0.883 175.103 176.000 -0.022 0.000 0.922 220 Q CA 1.522 57.319 55.803 -0.009 0.000 1.192 220 Q CB -1.786 26.961 28.738 0.014 0.000 1.641 220 Q HN 0.358 8.607 8.270 -0.018 0.010 0.552 221 N N -1.354 117.317 118.700 -0.048 0.000 2.707 221 N HA 0.174 nan 4.740 nan 0.000 0.249 221 N C -1.605 173.873 175.510 -0.054 0.000 1.299 221 N CA -0.272 52.753 53.050 -0.042 0.000 0.769 221 N CB 0.919 39.387 38.487 -0.031 0.000 1.236 221 N HN -0.354 8.167 8.380 -0.079 -0.189 0.524 222 I N 0.500 121.052 120.570 -0.031 0.000 7.907 222 I HA -0.587 nan 4.170 nan 0.000 0.126 222 I C -1.764 174.367 176.117 0.022 0.000 1.799 222 I CA 0.978 62.284 61.300 0.011 0.000 2.135 222 I CB -1.396 36.557 38.000 -0.080 0.000 3.645 222 I HN 0.680 8.786 8.210 -0.015 0.096 0.198 223 L N 5.414 126.653 121.223 0.026 0.000 2.499 223 L HA -0.054 nan 4.340 nan 0.000 0.273 223 L C -0.909 175.988 176.870 0.045 0.000 1.195 223 L CA 1.072 55.822 54.840 -0.149 0.000 0.882 223 L CB 0.473 42.383 42.059 -0.248 0.000 1.133 223 L HN 0.042 8.328 8.230 0.093 0.000 0.483 224 R N 4.326 124.810 120.500 -0.026 0.000 2.836 224 R HA 0.727 nan 4.340 nan 0.000 0.269 224 R C -2.220 174.091 176.300 0.020 0.000 1.010 224 R CA -1.522 54.619 56.100 0.069 0.000 0.930 224 R CB 5.057 35.400 30.300 0.071 0.000 1.218 224 R HN 0.519 8.609 8.270 -0.132 0.100 0.473 225 T N -1.212 113.366 114.554 0.040 0.000 2.696 225 T HA 0.460 nan 4.350 nan 0.000 0.291 225 T C -1.014 173.695 174.700 0.015 0.000 1.095 225 T CA -1.942 60.169 62.100 0.018 0.000 1.026 225 T CB 2.003 70.865 68.868 -0.008 0.000 1.390 225 T HN -0.191 8.094 8.240 0.076 0.000 0.513 226 Q N 0.014 119.805 119.800 -0.016 0.000 2.156 226 Q HA -0.397 nan 4.340 nan 0.000 0.211 226 Q C 1.320 177.294 176.000 -0.043 0.000 0.995 226 Q CA 2.830 58.611 55.803 -0.035 0.000 0.877 226 Q CB 0.373 29.072 28.738 -0.065 0.000 0.920 226 Q HN 0.557 8.817 8.270 -0.018 0.000 0.416 227 E N -6.865 113.268 120.200 -0.111 0.000 3.181 227 E HA -0.365 nan 4.350 nan 0.000 0.293 227 E C -2.216 174.152 176.600 -0.387 0.000 0.936 227 E CA 1.281 57.621 56.400 -0.099 0.000 0.975 227 E CB -1.325 28.486 29.700 0.184 0.000 1.496 227 E HN 0.366 8.649 8.360 -0.130 0.000 0.429 228 S N -5.724 109.566 115.700 -0.683 0.000 2.636 228 S HA 0.178 nan 4.470 nan 0.000 0.268 228 S C -2.094 172.179 174.600 -0.544 0.000 1.159 228 S CA -0.957 56.801 58.200 -0.737 0.000 0.815 228 S CB 2.358 65.563 63.200 0.008 0.000 1.130 228 S HN -0.924 7.038 8.310 -0.517 0.038 0.471 229 E N -1.451 118.667 120.200 -0.137 0.000 2.437 229 E HA -0.047 nan 4.350 nan 0.000 0.263 229 E C -0.233 176.390 176.600 0.039 0.000 1.030 229 E CA 0.118 56.552 56.400 0.057 0.000 0.934 229 E CB 0.249 30.095 29.700 0.244 0.000 0.943 229 E HN 0.270 8.668 8.360 0.063 0.000 0.444 230 c N -1.690 116.948 118.600 0.064 0.000 2.464 230 c HA 0.911 nan 4.570 nan 0.000 0.398 230 c C -0.433 173.698 174.090 0.069 0.000 1.451 230 c CA -2.684 53.671 56.329 0.043 0.000 1.986 230 c CB 1.483 44.023 42.510 0.050 0.000 2.004 230 c HN -0.428 7.865 8.230 0.105 0.000 0.530 231 V N -3.047 116.887 119.914 0.033 0.000 2.760 231 V HA 0.524 nan 4.120 nan 0.000 0.309 231 V C -2.227 173.925 176.094 0.097 0.000 1.077 231 V CA -1.141 61.189 62.300 0.050 0.000 0.910 231 V CB 3.708 35.460 31.823 -0.117 0.000 1.008 231 V HN -0.140 8.050 8.190 0.001 0.000 0.424 232 c N 5.932 124.669 118.600 0.228 0.000 2.345 232 c HA 0.740 nan 4.570 nan 0.000 0.323 232 c C -1.079 173.195 174.090 0.306 0.000 1.276 232 c CA -1.976 54.479 56.329 0.210 0.000 1.543 232 c CB 0.541 43.163 42.510 0.186 0.000 2.211 232 c HN 0.506 8.955 8.230 0.364 0.000 0.493 233 I N 2.997 123.684 120.570 0.195 0.000 2.411 233 I HA 0.114 nan 4.170 nan 0.000 0.284 233 I C -0.428 175.747 176.117 0.096 0.000 1.012 233 I CA -0.730 60.714 61.300 0.240 0.000 1.119 233 I CB 1.002 39.132 38.000 0.216 0.000 1.261 233 I HN -0.026 8.254 8.210 0.117 0.000 0.448 234 N N 7.684 126.427 118.700 0.073 0.000 2.776 234 N HA -0.358 nan 4.740 nan 0.000 0.249 234 N C -0.281 174.968 175.510 -0.434 0.000 1.111 234 N CA 1.601 54.621 53.050 -0.050 0.000 0.711 234 N CB -1.365 37.149 38.487 0.045 0.000 1.065 234 N HN 1.226 9.577 8.380 0.145 0.116 0.556 235 G N -6.780 101.626 108.800 -0.657 0.000 2.195 235 G HA2 -0.328 nan 3.960 nan 0.000 0.224 235 G HA3 -0.328 nan 3.960 nan 0.000 0.224 235 G C -1.556 173.135 174.900 -0.349 0.000 0.990 235 G CA 0.204 44.731 45.100 -0.955 0.000 0.639 235 G HN 0.247 8.304 8.290 -0.352 0.022 0.514 236 T N 3.660 118.123 114.554 -0.152 0.000 2.791 236 T HA 0.539 nan 4.350 nan 0.000 0.288 236 T C -1.295 173.431 174.700 0.044 0.000 0.999 236 T CA -0.210 61.883 62.100 -0.011 0.000 0.952 236 T CB 1.019 69.926 68.868 0.065 0.000 0.938 236 T HN -0.819 7.287 8.240 -0.134 0.053 0.444 237 c N 7.666 126.294 118.600 0.045 0.000 2.370 237 c HA 0.754 nan 4.570 nan 0.000 0.354 237 c C -0.715 173.375 174.090 0.002 0.000 1.218 237 c CA -1.446 54.913 56.329 0.051 0.000 2.154 237 c CB 1.226 43.785 42.510 0.080 0.000 2.391 237 c HN 0.998 9.244 8.230 0.027 0.000 0.540 238 T N 3.933 118.448 114.554 -0.065 0.000 2.841 238 T HA 0.629 nan 4.350 nan 0.000 0.283 238 T C -2.311 172.314 174.700 -0.124 0.000 1.000 238 T CA -0.461 61.503 62.100 -0.228 0.000 0.977 238 T CB 1.576 70.218 68.868 -0.376 0.000 0.979 238 T HN 0.360 8.584 8.240 -0.028 0.000 0.446 239 V N 4.754 124.605 119.914 -0.106 0.000 2.808 239 V HA 0.637 nan 4.120 nan 0.000 0.308 239 V C -2.768 173.317 176.094 -0.015 0.000 1.099 239 V CA -1.794 60.494 62.300 -0.020 0.000 0.920 239 V CB 3.711 35.574 31.823 0.066 0.000 1.014 239 V HN 0.264 8.360 8.190 -0.157 0.000 0.425 240 V N 1.948 121.859 119.914 -0.005 0.000 2.837 240 V HA 0.857 nan 4.120 nan 0.000 0.310 240 V C -1.559 174.592 176.094 0.094 0.000 1.059 240 V CA -3.293 59.026 62.300 0.032 0.000 1.004 240 V CB 2.103 33.928 31.823 0.003 0.000 1.045 240 V HN 0.224 8.406 8.190 -0.013 0.000 0.465 241 M N 0.302 120.008 119.600 0.176 0.000 2.569 241 M HA 0.563 nan 4.480 nan 0.000 0.279 241 M C -1.659 174.780 176.300 0.232 0.000 1.253 241 M CA -0.453 54.960 55.300 0.187 0.000 0.867 241 M CB 5.409 38.165 32.600 0.260 0.000 1.727 241 M HN 0.557 8.971 8.290 0.206 0.000 0.467 242 T N 2.406 117.011 114.554 0.084 0.000 2.921 242 T HA 0.629 nan 4.350 nan 0.000 0.297 242 T C -2.364 172.278 174.700 -0.096 0.000 1.013 242 T CA 0.179 62.319 62.100 0.066 0.000 0.990 242 T CB 2.639 71.505 68.868 -0.003 0.000 1.023 242 T HN 0.668 8.799 8.240 0.014 0.118 0.447 243 D N 4.398 124.734 120.400 -0.107 0.000 2.780 243 D HA 0.794 nan 4.640 nan 0.000 0.242 243 D C -1.480 174.797 176.300 -0.039 0.000 1.135 243 D CA -1.701 52.155 54.000 -0.241 0.000 0.859 243 D CB 3.476 43.827 40.800 -0.748 0.000 1.530 243 D HN 0.171 8.609 8.370 0.113 0.000 0.493 244 G N 4.122 112.901 108.800 -0.036 0.000 2.302 244 G HA2 -0.083 nan 3.960 nan 0.000 0.264 244 G HA3 -0.083 nan 3.960 nan 0.000 0.264 244 G C -2.116 172.785 174.900 0.001 0.000 1.335 244 G CA 0.077 45.181 45.100 0.006 0.000 0.982 244 G HN 0.330 8.583 8.290 -0.061 0.000 0.473 245 S N 1.132 116.832 115.700 -0.000 0.000 2.499 245 S HA 0.300 nan 4.470 nan 0.000 0.279 245 S C 0.573 175.219 174.600 0.076 0.000 1.219 245 S CA -2.299 55.888 58.200 -0.023 0.000 1.062 245 S CB 0.486 63.611 63.200 -0.124 0.000 0.978 245 S HN -0.236 8.068 8.310 -0.010 0.000 0.489 246 A N 6.709 129.570 122.820 0.069 0.000 1.821 246 A HA -0.147 nan 4.320 nan 0.000 0.215 246 A C 0.634 178.210 177.584 -0.012 0.000 1.216 246 A CA 2.869 55.017 52.037 0.185 0.000 0.615 246 A CB -0.356 18.706 19.000 0.104 0.000 0.862 246 A HN 0.609 8.770 8.150 0.019 0.000 0.450 247 S N -1.919 113.733 115.700 -0.080 0.000 3.593 247 S HA -0.056 nan 4.470 nan 0.000 0.224 247 S C -0.649 173.700 174.600 -0.419 0.000 1.333 247 S CA -0.118 58.001 58.200 -0.135 0.000 1.164 247 S CB -1.664 61.524 63.200 -0.020 0.000 1.281 247 S HN 0.088 8.378 8.310 -0.033 0.000 0.457 248 G N -0.066 108.220 108.800 -0.857 0.000 2.427 248 G HA2 -0.047 nan 3.960 nan 0.000 0.306 248 G HA3 -0.047 nan 3.960 nan 0.000 0.306 248 G C -3.244 170.840 174.900 -1.361 0.000 1.280 248 G CA -0.071 44.281 45.100 -1.246 0.000 0.837 248 G HN -0.400 7.310 8.290 -0.845 0.073 0.482 249 R N -1.510 118.365 120.500 -1.040 0.000 2.490 249 R HA 0.165 nan 4.340 nan 0.000 0.278 249 R C -1.270 174.945 176.300 -0.142 0.000 1.069 249 R CA -0.159 55.616 56.100 -0.542 0.000 1.080 249 R CB 0.848 30.948 30.300 -0.334 0.000 1.030 249 R HN 0.163 7.922 8.270 -0.852 0.000 0.491 250 A N 3.061 125.910 122.820 0.048 0.000 2.583 250 A HA 0.330 nan 4.320 nan 0.000 0.289 250 A C -2.208 175.451 177.584 0.125 0.000 1.151 250 A CA -1.136 50.952 52.037 0.086 0.000 0.695 250 A CB 3.031 22.085 19.000 0.089 0.000 1.290 250 A HN -0.009 8.206 8.150 0.108 0.000 0.419 251 D N -0.467 120.043 120.400 0.182 0.000 2.427 251 D HA 0.233 nan 4.640 nan 0.000 0.226 251 D C -1.018 175.508 176.300 0.376 0.000 1.076 251 D CA -1.006 53.162 54.000 0.280 0.000 0.849 251 D CB 1.580 42.635 40.800 0.424 0.000 1.052 251 D HN 0.377 8.851 8.370 0.172 0.000 0.515 252 T N 6.571 121.262 114.554 0.228 0.000 2.771 252 T HA 0.606 nan 4.350 nan 0.000 0.281 252 T C -1.532 173.258 174.700 0.151 0.000 0.982 252 T CA -0.455 61.774 62.100 0.214 0.000 0.978 252 T CB 1.231 70.163 68.868 0.106 0.000 0.930 252 T HN 0.300 8.634 8.240 0.157 0.000 0.447 253 R N 3.923 124.542 120.500 0.198 0.000 2.912 253 R HA 1.041 nan 4.340 nan 0.000 0.262 253 R C -1.719 174.623 176.300 0.070 0.000 1.057 253 R CA -1.687 54.427 56.100 0.023 0.000 0.981 253 R CB 4.456 34.573 30.300 -0.305 0.000 1.201 253 R HN 0.708 9.206 8.270 0.380 0.000 0.484 254 I N 0.582 121.173 120.570 0.035 0.000 2.411 254 I HA 0.449 nan 4.170 nan 0.000 0.284 254 I C -1.643 174.455 176.117 -0.031 0.000 1.012 254 I CA -0.960 60.327 61.300 -0.022 0.000 1.119 254 I CB 1.527 39.506 38.000 -0.035 0.000 1.261 254 I HN 0.837 8.973 8.210 0.030 0.093 0.448 255 L N 6.065 127.231 121.223 -0.095 0.000 2.289 255 L HA 0.609 nan 4.340 nan 0.000 0.285 255 L C -1.188 175.552 176.870 -0.217 0.000 1.049 255 L CA -0.609 54.208 54.840 -0.038 0.000 0.804 255 L CB 0.363 42.447 42.059 0.042 0.000 1.195 255 L HN 0.589 8.770 8.230 -0.082 0.000 0.428 256 F N 3.892 123.854 119.950 0.019 0.000 2.427 256 F HA 0.597 nan 4.527 nan 0.000 0.348 256 F C -1.290 174.495 175.800 -0.026 0.000 1.125 256 F CA -1.081 56.948 58.000 0.049 0.000 0.989 256 F CB 1.620 40.711 39.000 0.152 0.000 1.165 256 F HN 0.695 9.219 8.300 0.373 0.000 0.442 257 I N 2.717 123.340 120.570 0.088 0.000 2.509 257 I HA 0.822 nan 4.170 nan 0.000 0.293 257 I C -2.518 173.581 176.117 -0.030 0.000 1.020 257 I CA -2.062 59.224 61.300 -0.025 0.000 1.088 257 I CB 3.982 41.920 38.000 -0.104 0.000 1.267 257 I HN 1.010 9.269 8.210 0.082 0.000 0.430 258 E N 7.721 127.871 120.200 -0.084 0.000 2.185 258 E HA 0.344 nan 4.350 nan 0.000 0.261 258 E C -0.751 175.702 176.600 -0.244 0.000 0.879 258 E CA -1.458 54.865 56.400 -0.130 0.000 0.756 258 E CB 1.591 31.246 29.700 -0.075 0.000 1.152 258 E HN 0.614 8.916 8.360 -0.096 0.000 0.416 259 E N 5.698 125.622 120.200 -0.460 0.000 2.320 259 E HA -0.371 nan 4.350 nan 0.000 0.234 259 E C -0.908 175.232 176.600 -0.767 0.000 1.183 259 E CA 1.000 56.830 56.400 -0.950 0.000 0.713 259 E CB -1.586 27.833 29.700 -0.467 0.000 1.226 259 E HN 0.957 9.082 8.360 -0.392 0.000 0.382 260 G N -6.146 102.358 108.800 -0.494 0.000 2.267 260 G HA2 -0.390 nan 3.960 nan 0.000 0.257 260 G HA3 -0.390 nan 3.960 nan 0.000 0.257 260 G C -0.773 174.089 174.900 -0.063 0.000 0.998 260 G CA 0.155 45.206 45.100 -0.082 0.000 0.620 260 G HN 0.234 8.250 8.290 -0.457 0.000 0.529 261 K N 1.897 122.211 120.400 -0.144 0.000 2.262 261 K HA 0.169 nan 4.320 nan 0.000 0.282 261 K C -0.697 175.787 176.600 -0.194 0.000 1.066 261 K CA -2.113 54.089 56.287 -0.143 0.000 0.901 261 K CB 0.345 32.782 32.500 -0.104 0.000 1.089 261 K HN -0.648 7.295 8.250 -0.193 0.192 0.476 262 I N 7.638 128.029 120.570 -0.298 0.000 2.664 262 I HA -0.228 nan 4.170 nan 0.000 0.284 262 I C 0.328 176.351 176.117 -0.157 0.000 1.154 262 I CA 1.855 62.974 61.300 -0.302 0.000 1.402 262 I CB -0.570 37.196 38.000 -0.389 0.000 1.395 262 I HN -0.185 8.069 8.210 -0.332 -0.243 0.545 263 V N 2.714 122.580 119.914 -0.081 0.000 3.319 263 V HA 0.373 nan 4.120 nan 0.000 0.317 263 V C -1.026 175.015 176.094 -0.090 0.000 1.411 263 V CA -0.892 61.368 62.300 -0.066 0.000 1.112 263 V CB 0.522 32.332 31.823 -0.021 0.000 1.031 263 V HN 1.016 9.068 8.190 -0.044 0.111 0.448 264 H N -0.906 118.040 119.070 -0.206 0.000 2.930 264 H HA 0.079 nan 4.556 nan 0.000 0.278 264 H C -3.072 172.207 175.328 -0.081 0.000 1.185 264 H CA 0.426 56.272 56.048 -0.338 0.000 1.662 264 H CB 2.758 31.922 29.762 -0.997 0.000 2.032 264 H HN -0.593 7.678 8.280 -0.015 0.000 0.496 265 I N 5.062 125.632 120.570 -0.001 0.000 2.448 265 I HA 0.235 nan 4.170 nan 0.000 0.281 265 I C -0.976 175.250 176.117 0.182 0.000 1.027 265 I CA -0.685 60.691 61.300 0.126 0.000 1.111 265 I CB 2.021 39.952 38.000 -0.116 0.000 1.236 265 I HN 0.235 8.139 8.210 -0.510 0.000 0.452 266 S N 8.074 124.019 115.700 0.408 0.000 2.554 266 S HA 0.513 nan 4.470 nan 0.000 0.278 266 S C -2.117 172.558 174.600 0.126 0.000 1.242 266 S CA -2.169 56.216 58.200 0.309 0.000 1.051 266 S CB 0.628 64.070 63.200 0.405 0.000 0.986 266 S HN 0.612 9.248 8.310 0.543 0.000 0.502 267 P HA 0.531 nan 4.420 nan 0.000 0.283 267 P C -1.660 175.666 177.300 0.042 0.000 1.278 267 P CA -1.498 61.602 63.100 0.000 0.000 0.834 267 P CB 1.048 32.724 31.700 -0.040 0.000 1.150 268 L N -0.264 120.983 121.223 0.039 0.000 2.453 268 L HA -0.103 nan 4.340 nan 0.000 0.272 268 L C -1.517 175.385 176.870 0.054 0.000 1.182 268 L CA 0.783 55.655 54.840 0.053 0.000 0.858 268 L CB 0.717 42.813 42.059 0.060 0.000 1.120 268 L HN 0.057 8.305 8.230 0.029 0.000 0.474 269 A N 5.775 128.627 122.820 0.055 0.000 2.532 269 A HA 0.368 nan 4.320 nan 0.000 0.290 269 A C -1.299 176.317 177.584 0.053 0.000 1.143 269 A CA -0.931 51.137 52.037 0.053 0.000 0.728 269 A CB 2.540 21.570 19.000 0.049 0.000 1.317 269 A HN 0.097 8.278 8.150 0.053 0.000 0.414 270 G N -1.057 107.775 108.800 0.053 0.000 2.627 270 G HA2 -0.228 nan 3.960 nan 0.000 0.214 270 G HA3 -0.228 nan 3.960 nan 0.000 0.214 270 G C -0.635 174.310 174.900 0.075 0.000 1.331 270 G CA -0.118 45.015 45.100 0.055 0.000 0.891 270 G HN 0.063 8.383 8.290 0.050 0.000 0.539 271 S N 1.387 117.142 115.700 0.093 0.000 2.603 271 S HA -0.129 nan 4.470 nan 0.000 0.220 271 S C 0.781 175.524 174.600 0.238 0.000 0.967 271 S CA 0.495 58.776 58.200 0.134 0.000 0.920 271 S CB 0.263 63.535 63.200 0.119 0.000 0.773 271 S HN 0.041 8.333 8.310 0.084 0.069 0.529 272 A N 1.894 124.839 122.820 0.209 0.000 2.511 272 A HA -0.132 nan 4.320 nan 0.000 0.242 272 A C 0.033 177.782 177.584 0.274 0.000 1.069 272 A CA 0.655 52.832 52.037 0.232 0.000 0.763 272 A CB -0.058 18.942 19.000 0.000 0.000 1.001 272 A HN 0.222 8.384 8.150 0.128 0.065 0.498 273 Q N 0.691 120.723 119.800 0.386 0.000 2.352 273 Q HA 0.003 nan 4.340 nan 0.000 0.212 273 Q C -1.018 175.311 176.000 0.549 0.000 0.888 273 Q CA 0.175 56.218 55.803 0.399 0.000 0.934 273 Q CB 1.716 30.626 28.738 0.287 0.000 1.093 273 Q HN 0.115 8.703 8.270 0.530 0.000 0.523 274 H N -2.596 116.641 119.070 0.278 0.000 3.212 274 H HA 0.027 nan 4.556 nan 0.000 0.306 274 H C -2.151 173.251 175.328 0.123 0.000 1.198 274 H CA 0.243 56.431 56.048 0.234 0.000 1.532 274 H CB 1.635 31.597 29.762 0.334 0.000 2.133 274 H HN -0.485 8.001 8.280 0.343 0.000 0.395 275 V N 8.451 128.330 119.914 -0.059 0.000 2.357 275 V HA 0.217 nan 4.120 nan 0.000 0.284 275 V C -1.944 174.062 176.094 -0.147 0.000 1.018 275 V CA -0.585 61.671 62.300 -0.074 0.000 0.841 275 V CB 1.111 32.915 31.823 -0.032 0.000 0.991 275 V HN 0.422 8.551 8.190 -0.102 0.000 0.437 276 E N 4.724 124.863 120.200 -0.103 0.000 2.367 276 E HA 0.292 nan 4.350 nan 0.000 0.273 276 E C -1.368 175.211 176.600 -0.036 0.000 0.903 276 E CA -1.604 54.746 56.400 -0.083 0.000 0.764 276 E CB 4.477 34.126 29.700 -0.085 0.000 1.252 276 E HN -0.238 8.087 8.360 -0.059 0.000 0.446 277 E N -1.951 118.239 120.200 -0.017 0.000 2.183 277 E HA -0.413 nan 4.350 nan 0.000 0.196 277 E C -1.396 175.201 176.600 -0.006 0.000 1.364 277 E CA 0.676 57.069 56.400 -0.011 0.000 0.700 277 E CB -1.605 28.062 29.700 -0.054 0.000 1.106 277 E HN 0.509 8.865 8.360 -0.007 0.000 0.347 278 c N -1.865 116.734 118.600 -0.001 0.000 2.657 278 c HA -0.151 nan 4.570 nan 0.000 0.420 278 c C 0.372 174.489 174.090 0.045 0.000 1.323 278 c CA 0.007 56.343 56.329 0.012 0.000 1.894 278 c CB 0.137 42.644 42.510 -0.005 0.000 2.681 278 c HN -0.098 8.129 8.230 -0.004 0.000 0.613 279 S N 3.946 119.702 115.700 0.092 0.000 2.532 279 S HA 0.274 nan 4.470 nan 0.000 0.318 279 S C -1.565 173.127 174.600 0.152 0.000 1.083 279 S CA -0.193 58.107 58.200 0.166 0.000 1.131 279 S CB 0.702 64.068 63.200 0.276 0.000 0.973 279 S HN 0.031 8.394 8.310 0.090 0.000 0.468 280 c N 6.174 124.825 118.600 0.084 0.000 2.366 280 c HA 0.775 nan 4.570 nan 0.000 0.345 280 c C -1.470 172.639 174.090 0.031 0.000 1.209 280 c CA -1.158 55.162 56.329 -0.016 0.000 2.050 280 c CB 1.498 43.965 42.510 -0.072 0.000 2.359 280 c HN 0.553 8.830 8.230 0.079 0.000 0.527 281 Y N -0.810 119.443 120.300 -0.077 0.000 2.544 281 Y HA 0.528 nan 4.550 nan 0.000 0.342 281 Y C -3.314 172.447 175.900 -0.232 0.000 1.062 281 Y CA -3.831 54.158 58.100 -0.185 0.000 1.023 281 Y CB 0.250 38.607 38.460 -0.171 0.000 1.308 281 Y HN 0.833 8.797 8.280 -0.526 0.000 0.457 282 P HA 0.355 nan 4.420 nan 0.000 0.278 282 P C -1.218 176.072 177.300 -0.017 0.000 1.238 282 P CA -0.350 62.605 63.100 -0.242 0.000 0.794 282 P CB 0.936 32.305 31.700 -0.552 0.000 0.955 283 R N 0.571 121.072 120.500 0.002 0.000 2.718 283 R HA 0.347 nan 4.340 nan 0.000 0.266 283 R C -0.635 175.720 176.300 0.092 0.000 1.776 283 R CA -0.930 55.219 56.100 0.081 0.000 1.567 283 R CB 1.806 32.135 30.300 0.048 0.000 1.336 283 R HN 0.580 8.712 8.270 -0.052 0.107 0.619 284 Y N 5.451 125.772 120.300 0.036 0.000 3.059 284 Y HA -0.270 nan 4.550 nan 0.000 0.343 284 Y C -1.360 174.561 175.900 0.035 0.000 1.273 284 Y CA 0.486 58.617 58.100 0.052 0.000 1.572 284 Y CB 0.229 38.744 38.460 0.091 0.000 1.228 284 Y HN 0.407 8.858 8.280 0.285 0.000 0.610 285 P HA 0.198 nan 4.420 nan 0.000 0.249 285 P C -1.924 175.147 177.300 -0.381 0.000 1.544 285 P CA -0.184 62.380 63.100 -0.893 0.000 0.932 285 P CB 0.290 31.496 31.700 -0.824 0.000 1.524 286 G N -0.862 107.825 108.800 -0.189 0.000 3.105 286 G HA2 0.574 nan 3.960 nan 0.000 0.277 286 G HA3 0.574 nan 3.960 nan 0.000 0.277 286 G C -2.853 171.983 174.900 -0.107 0.000 1.375 286 G CA -1.059 43.968 45.100 -0.122 0.000 0.962 286 G HN -0.184 7.822 8.290 -0.131 0.205 0.541 287 V N -1.776 118.066 119.914 -0.120 0.000 2.588 287 V HA 0.753 nan 4.120 nan 0.000 0.304 287 V C -2.115 173.839 176.094 -0.232 0.000 1.042 287 V CA -1.314 60.877 62.300 -0.182 0.000 0.877 287 V CB 2.888 34.620 31.823 -0.151 0.000 0.996 287 V HN -0.284 7.849 8.190 -0.096 0.000 0.425 288 R N 4.266 124.505 120.500 -0.435 0.000 2.599 288 R HA 0.850 nan 4.340 nan 0.000 0.295 288 R C -2.042 173.953 176.300 -0.508 0.000 0.963 288 R CA -1.816 54.005 56.100 -0.465 0.000 0.883 288 R CB 3.875 33.853 30.300 -0.538 0.000 1.171 288 R HN 0.806 8.723 8.270 -0.588 0.000 0.450 289 c N 4.876 123.350 118.600 -0.210 0.000 2.626 289 c HA 0.760 nan 4.570 nan 0.000 0.310 289 c C -1.418 172.686 174.090 0.023 0.000 1.191 289 c CA -1.465 54.814 56.329 -0.083 0.000 1.517 289 c CB 2.685 45.160 42.510 -0.058 0.000 2.102 289 c HN 0.282 8.434 8.230 -0.130 0.000 0.479 290 I N 2.867 123.496 120.570 0.099 0.000 2.382 290 I HA 0.476 nan 4.170 nan 0.000 0.285 290 I C -0.903 175.243 176.117 0.048 0.000 1.007 290 I CA -0.851 60.508 61.300 0.099 0.000 1.142 290 I CB 1.073 39.181 38.000 0.180 0.000 1.289 290 I HN 0.015 8.308 8.210 0.138 0.000 0.453 291 c N 7.952 126.544 118.600 -0.013 0.000 2.446 291 c HA 0.790 nan 4.570 nan 0.000 0.386 291 c C -1.316 172.755 174.090 -0.031 0.000 2.622 291 c CA -2.490 53.825 56.329 -0.023 0.000 1.823 291 c CB 2.838 45.324 42.510 -0.040 0.000 2.233 291 c HN 0.676 8.878 8.230 -0.046 0.000 0.404 292 R N 1.014 121.500 120.500 -0.023 0.000 2.435 292 R HA 0.268 nan 4.340 nan 0.000 0.308 292 R C -2.148 174.200 176.300 0.080 0.000 0.975 292 R CA -0.873 55.231 56.100 0.007 0.000 0.867 292 R CB 2.136 32.426 30.300 -0.016 0.000 1.171 292 R HN 0.535 8.696 8.270 -0.026 0.093 0.470 293 D N 7.665 128.144 120.400 0.131 0.000 2.380 293 D HA 0.009 nan 4.640 nan 0.000 0.230 293 D C -0.933 175.537 176.300 0.283 0.000 1.154 293 D CA -0.587 53.576 54.000 0.272 0.000 0.859 293 D CB 0.374 41.340 40.800 0.277 0.000 1.045 293 D HN 0.303 8.726 8.370 0.089 0.000 0.495 294 N N 5.737 124.718 118.700 0.467 0.000 2.314 294 N HA 0.008 nan 4.740 nan 0.000 0.200 294 N C -1.146 174.466 175.510 0.170 0.000 1.135 294 N CA 0.658 53.893 53.050 0.308 0.000 0.835 294 N CB 0.744 39.453 38.487 0.370 0.000 0.989 294 N HN 0.150 9.037 8.380 0.846 0.000 0.478 295 W N -0.445 120.767 121.300 -0.146 0.000 3.705 295 W HA 0.277 nan 4.660 nan 0.000 0.224 295 W C -0.997 175.470 176.519 -0.087 0.000 0.882 295 W CA 1.539 58.742 57.345 -0.236 0.000 2.321 295 W CB 2.035 31.217 29.460 -0.464 0.000 1.107 295 W HN -0.040 8.516 8.180 0.266 -0.217 0.692 296 K N -5.119 115.180 120.400 -0.169 0.000 2.483 296 K HA 0.242 nan 4.320 nan 0.000 0.206 296 K C -1.219 175.291 176.600 -0.149 0.000 1.086 296 K CA -0.760 55.335 56.287 -0.320 0.000 1.052 296 K CB 2.253 34.356 32.500 -0.662 0.000 0.904 296 K HN -0.237 8.254 8.250 -0.028 -0.257 0.557 297 G N -2.218 106.578 108.800 -0.007 0.000 2.591 297 G HA2 0.434 nan 3.960 nan 0.000 0.306 297 G HA3 0.434 nan 3.960 nan 0.000 0.306 297 G C -1.032 173.908 174.900 0.067 0.000 1.334 297 G CA -0.702 44.420 45.100 0.036 0.000 0.981 297 G HN -0.786 7.720 8.290 0.060 -0.180 0.491 298 S N -0.222 115.497 115.700 0.031 0.000 2.511 298 S HA 0.042 nan 4.470 nan 0.000 0.214 298 S C -0.605 174.015 174.600 0.034 0.000 0.997 298 S CA 0.181 58.395 58.200 0.024 0.000 0.908 298 S CB 1.300 64.499 63.200 -0.002 0.000 0.803 298 S HN -0.226 8.319 8.310 0.000 -0.235 0.504 299 N N 0.555 119.297 118.700 0.069 0.000 2.493 299 N HA -0.038 nan 4.740 nan 0.000 0.275 299 N C -1.080 174.531 175.510 0.167 0.000 1.186 299 N CA -0.625 52.484 53.050 0.099 0.000 0.978 299 N CB 0.659 39.207 38.487 0.101 0.000 1.184 299 N HN -0.702 7.670 8.380 0.069 0.049 0.487 300 R N -1.851 118.698 120.500 0.082 0.000 2.312 300 R HA 0.452 nan 4.340 nan 0.000 0.311 300 R C -1.817 174.378 176.300 -0.176 0.000 1.004 300 R CA -2.961 53.130 56.100 -0.016 0.000 0.902 300 R CB 1.062 31.339 30.300 -0.038 0.000 1.073 300 R HN 0.357 8.658 8.270 0.052 0.000 0.457 301 P HA 0.163 nan 4.420 nan 0.000 0.272 301 P C -1.548 175.586 177.300 -0.276 0.000 1.240 301 P CA -0.441 62.246 63.100 -0.689 0.000 0.791 301 P CB 0.408 31.730 31.700 -0.628 0.000 0.978 302 V N -1.106 118.677 119.914 -0.219 0.000 2.960 302 V HA 0.665 nan 4.120 nan 0.000 0.315 302 V C -0.791 175.276 176.094 -0.045 0.000 1.087 302 V CA -1.499 60.775 62.300 -0.043 0.000 0.982 302 V CB 3.802 35.654 31.823 0.049 0.000 1.039 302 V HN -0.117 7.792 8.190 -0.310 0.095 0.437 303 V N 3.574 123.482 119.914 -0.010 0.000 2.612 303 V HA 0.384 nan 4.120 nan 0.000 0.301 303 V C -1.898 174.189 176.094 -0.012 0.000 1.059 303 V CA -0.654 61.636 62.300 -0.016 0.000 0.886 303 V CB 3.001 34.805 31.823 -0.030 0.000 1.007 303 V HN 0.321 8.515 8.190 0.006 0.000 0.426 304 D N 7.219 127.625 120.400 0.010 0.000 2.344 304 D HA 0.668 nan 4.640 nan 0.000 0.239 304 D C -1.336 174.971 176.300 0.011 0.000 1.064 304 D CA -0.850 53.155 54.000 0.009 0.000 0.829 304 D CB 2.862 43.687 40.800 0.041 0.000 1.129 304 D HN 0.823 9.103 8.370 0.018 0.102 0.506 305 I N 3.964 124.529 120.570 -0.008 0.000 2.355 305 I HA 0.162 nan 4.170 nan 0.000 0.288 305 I C -1.916 174.219 176.117 0.030 0.000 0.999 305 I CA -1.260 60.060 61.300 0.033 0.000 1.163 305 I CB 1.774 39.763 38.000 -0.019 0.000 1.316 305 I HN 0.214 8.400 8.210 -0.040 0.000 0.454 306 N N 7.964 126.689 118.700 0.042 0.000 2.406 306 N HA 0.165 nan 4.740 nan 0.000 0.251 306 N C 0.240 175.710 175.510 -0.067 0.000 1.069 306 N CA -0.734 52.293 53.050 -0.039 0.000 0.947 306 N CB 1.334 39.781 38.487 -0.067 0.000 1.111 306 N HN 0.210 8.636 8.380 0.078 0.000 0.497 307 M N 4.467 124.009 119.600 -0.097 0.000 2.254 307 M HA -0.243 nan 4.480 nan 0.000 0.265 307 M C 0.752 176.839 176.300 -0.354 0.000 1.066 307 M CA 2.135 57.358 55.300 -0.127 0.000 1.123 307 M CB -0.744 31.800 32.600 -0.093 0.000 1.388 307 M HN 0.484 8.707 8.290 -0.110 0.000 0.425 308 E N -4.015 116.004 120.200 -0.301 0.000 2.153 308 E HA -0.207 nan 4.350 nan 0.000 0.194 308 E C 0.792 177.121 176.600 -0.452 0.000 0.988 308 E CA 2.187 58.394 56.400 -0.321 0.000 0.811 308 E CB 0.082 29.655 29.700 -0.211 0.000 0.746 308 E HN -0.387 7.862 8.360 -0.235 -0.030 0.466 309 D N -5.672 114.436 120.400 -0.487 0.000 2.538 309 D HA 0.031 nan 4.640 nan 0.000 0.241 309 D C -0.044 175.970 176.300 -0.477 0.000 1.297 309 D CA -0.889 52.837 54.000 -0.456 0.000 0.804 309 D CB 0.886 41.569 40.800 -0.195 0.000 1.122 309 D HN -0.201 8.200 8.370 -0.402 -0.272 0.519 310 Y N -5.311 114.708 120.300 -0.469 0.000 4.907 310 Y HA -0.494 nan 4.550 nan 0.000 0.246 310 Y C -0.554 175.218 175.900 -0.212 0.000 0.968 310 Y CA 1.148 58.832 58.100 -0.693 0.000 1.961 310 Y CB -2.871 34.697 38.460 -1.487 0.000 1.487 310 Y HN 0.147 7.968 8.280 -0.765 0.000 0.575 311 S N -0.415 115.271 115.700 -0.023 0.000 2.584 311 S HA -0.048 nan 4.470 nan 0.000 0.270 311 S C -1.352 173.294 174.600 0.076 0.000 1.346 311 S CA 0.652 58.869 58.200 0.028 0.000 1.018 311 S CB 1.026 64.224 63.200 -0.003 0.000 0.899 311 S HN -0.228 8.287 8.310 -0.099 -0.264 0.542 312 I N 0.736 121.349 120.570 0.073 0.000 2.752 312 I HA 0.344 nan 4.170 nan 0.000 0.295 312 I C -1.501 174.647 176.117 0.051 0.000 1.219 312 I CA -1.074 60.270 61.300 0.073 0.000 1.030 312 I CB 3.732 41.788 38.000 0.093 0.000 1.259 312 I HN -0.295 7.951 8.210 0.060 0.000 0.423 313 D N 4.889 125.315 120.400 0.043 0.000 2.732 313 D HA 0.352 nan 4.640 nan 0.000 0.229 313 D C -2.155 174.166 176.300 0.034 0.000 1.152 313 D CA -1.552 52.472 54.000 0.040 0.000 0.854 313 D CB 3.331 44.155 40.800 0.040 0.000 1.590 313 D HN 0.407 8.802 8.370 0.041 0.000 0.468 314 S N 1.321 117.041 115.700 0.034 0.000 2.599 314 S HA 0.782 nan 4.470 nan 0.000 0.287 314 S C -1.199 173.417 174.600 0.027 0.000 1.105 314 S CA -1.252 56.958 58.200 0.017 0.000 0.899 314 S CB 3.321 66.527 63.200 0.010 0.000 1.100 314 S HN 0.014 8.348 8.310 0.041 0.000 0.482 315 S N -0.322 115.374 115.700 -0.008 0.000 2.873 315 S HA 0.711 nan 4.470 nan 0.000 0.303 315 S C -1.946 172.643 174.600 -0.018 0.000 1.222 315 S CA 0.040 58.267 58.200 0.045 0.000 0.923 315 S CB 2.182 65.371 63.200 -0.018 0.000 1.286 315 S HN -0.035 8.234 8.310 -0.069 0.000 0.571 316 Y N -1.495 118.749 120.300 -0.092 0.000 2.638 316 Y HA 0.355 nan 4.550 nan 0.000 0.339 316 Y C -0.408 175.394 175.900 -0.163 0.000 1.084 316 Y CA -0.137 57.910 58.100 -0.089 0.000 1.068 316 Y CB 3.812 42.227 38.460 -0.075 0.000 1.294 316 Y HN -0.148 8.200 8.280 0.114 0.000 0.480 317 V N -4.337 115.587 119.914 0.016 0.000 2.775 317 V HA 0.209 nan 4.120 nan 0.000 0.299 317 V C -0.044 175.990 176.094 -0.100 0.000 1.062 317 V CA -1.280 60.963 62.300 -0.095 0.000 1.063 317 V CB 0.038 31.846 31.823 -0.024 0.000 0.994 317 V HN 0.227 8.465 8.190 0.080 0.000 0.483 318 c N 2.624 121.118 118.600 -0.177 0.000 2.475 318 c HA -0.089 nan 4.570 nan 0.000 0.279 318 c C 0.736 174.780 174.090 -0.077 0.000 1.322 318 c CA 1.756 58.004 56.329 -0.136 0.000 1.734 318 c CB -0.611 41.795 42.510 -0.174 0.000 2.005 318 c HN 0.705 8.776 8.230 -0.266 0.000 0.495 319 S N 0.258 115.924 115.700 -0.056 0.000 2.784 319 S HA -0.362 nan 4.470 nan 0.000 0.322 319 S C 1.222 175.806 174.600 -0.028 0.000 1.234 319 S CA 0.990 59.172 58.200 -0.030 0.000 1.064 319 S CB 0.288 63.478 63.200 -0.016 0.000 0.787 319 S HN -0.583 7.691 8.310 -0.060 0.000 0.506 320 G N 5.922 114.705 108.800 -0.028 0.000 2.744 320 G HA2 -0.069 nan 3.960 nan 0.000 0.211 320 G HA3 -0.069 nan 3.960 nan 0.000 0.211 320 G C 0.013 174.900 174.900 -0.021 0.000 1.143 320 G CA 0.462 45.543 45.100 -0.032 0.000 0.788 320 G HN 0.651 8.820 8.290 -0.029 0.104 0.534 321 L N -1.167 120.057 121.223 0.001 0.000 2.046 321 L HA -0.236 nan 4.340 nan 0.000 0.208 321 L C -0.306 176.584 176.870 0.033 0.000 1.077 321 L CA 1.512 56.373 54.840 0.035 0.000 0.747 321 L CB 0.450 42.588 42.059 0.132 0.000 0.896 321 L HN -0.833 7.337 8.230 0.005 0.062 0.432 322 V N -4.117 115.801 119.914 0.007 0.000 3.584 322 V HA -0.272 nan 4.120 nan 0.000 0.512 322 V C -1.085 174.986 176.094 -0.039 0.000 0.682 322 V CA 0.886 63.176 62.300 -0.017 0.000 2.064 322 V CB -0.025 31.788 31.823 -0.016 0.000 2.486 322 V HN -0.553 7.639 8.190 0.003 0.000 0.511 323 G N 3.082 111.833 108.800 -0.081 0.000 4.757 323 G HA2 0.189 nan 3.960 nan 0.000 0.303 323 G HA3 0.189 nan 3.960 nan 0.000 0.303 323 G C -2.334 172.498 174.900 -0.113 0.000 1.318 323 G CA -0.512 44.506 45.100 -0.136 0.000 1.020 323 G HN 0.324 8.573 8.290 -0.068 0.000 0.589 324 D N -0.635 119.728 120.400 -0.061 0.000 2.477 324 D HA 0.266 nan 4.640 nan 0.000 0.234 324 D C -1.932 174.354 176.300 -0.023 0.000 1.048 324 D CA -1.790 52.187 54.000 -0.038 0.000 0.959 324 D CB 4.005 44.801 40.800 -0.007 0.000 1.408 324 D HN -0.774 7.568 8.370 -0.046 0.000 0.496 325 T N 2.285 116.837 114.554 -0.003 0.000 2.879 325 T HA 0.479 nan 4.350 nan 0.000 0.290 325 T C -2.223 172.494 174.700 0.029 0.000 0.993 325 T CA -3.222 58.885 62.100 0.011 0.000 0.975 325 T CB 1.920 70.801 68.868 0.021 0.000 0.981 325 T HN 0.213 8.454 8.240 0.002 0.000 0.439 326 P HA 0.360 nan 4.420 nan 0.000 0.274 326 P C -1.937 175.365 177.300 0.004 0.000 1.246 326 P CA -0.589 62.519 63.100 0.013 0.000 0.795 326 P CB 1.088 32.797 31.700 0.015 0.000 1.006 327 R N -2.270 118.227 120.500 -0.005 0.000 2.795 327 R HA 0.333 nan 4.340 nan 0.000 0.268 327 R C -0.510 175.780 176.300 -0.016 0.000 1.041 327 R CA -1.823 54.270 56.100 -0.012 0.000 0.927 327 R CB 2.162 32.453 30.300 -0.017 0.000 1.235 327 R HN -0.071 8.197 8.270 -0.005 0.000 0.463 328 N N 0.351 119.038 118.700 -0.022 0.000 2.085 328 N HA -0.105 nan 4.740 nan 0.000 0.191 328 N C -0.880 174.614 175.510 -0.026 0.000 1.058 328 N CA 2.210 55.245 53.050 -0.025 0.000 0.849 328 N CB 0.952 39.420 38.487 -0.032 0.000 1.038 328 N HN 0.510 8.875 8.380 -0.024 0.000 0.434 329 D N -4.366 116.017 120.400 -0.030 0.000 2.385 329 D HA -0.053 nan 4.640 nan 0.000 0.153 329 D C 0.801 177.077 176.300 -0.040 0.000 0.830 329 D CA 0.229 54.209 54.000 -0.033 0.000 1.097 329 D CB 0.545 41.326 40.800 -0.032 0.000 4.800 329 D HN -0.329 8.022 8.370 -0.031 0.000 0.527 330 D N 4.923 125.295 120.400 -0.047 0.000 3.111 330 D HA -0.513 nan 4.640 nan 0.000 0.190 330 D C 1.530 177.798 176.300 -0.054 0.000 1.141 330 D CA 3.823 57.789 54.000 -0.057 0.000 0.888 330 D CB -0.091 40.659 40.800 -0.084 0.000 0.905 330 D HN 0.520 8.862 8.370 -0.047 0.000 0.497 331 R N -2.255 118.214 120.500 -0.050 0.000 2.062 331 R HA -0.090 nan 4.340 nan 0.000 0.229 331 R C 2.127 178.402 176.300 -0.042 0.000 1.128 331 R CA 1.240 57.312 56.100 -0.046 0.000 0.960 331 R CB -0.254 30.021 30.300 -0.043 0.000 0.855 331 R HN -0.133 8.389 8.270 -0.050 -0.282 0.432 332 S N -0.086 115.591 115.700 -0.039 0.000 2.704 332 S HA 0.058 nan 4.470 nan 0.000 0.241 332 S C -1.063 173.513 174.600 -0.040 0.000 1.264 332 S CA -0.667 57.510 58.200 -0.038 0.000 1.236 332 S CB -0.951 62.228 63.200 -0.035 0.000 0.928 332 S HN -0.199 8.088 8.310 -0.038 0.000 0.492 333 S N 2.013 117.688 115.700 -0.042 0.000 2.521 333 S HA 0.217 nan 4.470 nan 0.000 0.295 333 S C -2.007 172.566 174.600 -0.045 0.000 1.098 333 S CA -0.536 57.639 58.200 -0.042 0.000 0.999 333 S CB 2.935 66.113 63.200 -0.037 0.000 1.034 333 S HN -0.667 7.545 8.310 -0.042 0.073 0.483 334 N N 4.009 122.678 118.700 -0.051 0.000 2.509 334 N HA 0.293 nan 4.740 nan 0.000 0.280 334 N C -2.311 173.161 175.510 -0.065 0.000 1.306 334 N CA -0.533 52.482 53.050 -0.058 0.000 0.782 334 N CB 4.092 42.539 38.487 -0.065 0.000 1.493 334 N HN -0.381 8.230 8.380 -0.053 -0.263 0.498 335 S N -1.386 114.272 115.700 -0.070 0.000 2.586 335 S HA 0.143 nan 4.470 nan 0.000 0.296 335 S C -1.747 172.803 174.600 -0.083 0.000 1.120 335 S CA -0.666 57.487 58.200 -0.077 0.000 0.927 335 S CB 1.316 64.487 63.200 -0.048 0.000 1.114 335 S HN 0.177 8.446 8.310 -0.067 0.000 0.453 336 N N 4.953 123.592 118.700 -0.103 0.000 2.203 336 N HA 0.159 nan 4.740 nan 0.000 0.207 336 N C -0.191 175.263 175.510 -0.093 0.000 1.130 336 N CA -0.838 52.155 53.050 -0.095 0.000 0.861 336 N CB -0.330 38.098 38.487 -0.099 0.000 1.005 336 N HN 0.665 8.967 8.380 -0.130 0.000 0.507 337 c N -5.344 113.207 118.600 -0.081 0.000 4.663 337 c HA -0.427 nan 4.570 nan 0.000 0.272 337 c C 0.761 174.845 174.090 -0.009 0.000 1.566 337 c CA 1.415 57.709 56.329 -0.058 0.000 1.735 337 c CB -2.573 39.851 42.510 -0.142 0.000 1.857 337 c HN -0.002 8.106 8.230 -0.075 0.077 0.674 338 R N 0.228 120.691 120.500 -0.061 0.000 2.164 338 R HA 0.158 nan 4.340 nan 0.000 0.198 338 R C -1.121 175.105 176.300 -0.124 0.000 1.028 338 R CA 1.990 58.061 56.100 -0.048 0.000 1.083 338 R CB 1.780 32.040 30.300 -0.067 0.000 1.026 338 R HN 0.009 8.450 8.270 -0.107 -0.235 0.514 339 D N -1.733 118.467 120.400 -0.333 0.000 2.523 339 D HA 0.552 nan 4.640 nan 0.000 0.236 339 D C -2.496 173.256 176.300 -0.913 0.000 1.094 339 D CA -1.998 51.689 54.000 -0.522 0.000 0.942 339 D CB 1.573 42.199 40.800 -0.289 0.000 1.447 339 D HN -0.086 8.459 8.370 -0.300 -0.355 0.479 340 P HA -0.058 nan 4.420 nan 0.000 0.268 340 P C -1.063 175.996 177.300 -0.401 0.000 1.205 340 P CA 0.169 62.854 63.100 -0.691 0.000 0.771 340 P CB 0.430 31.909 31.700 -0.370 0.000 0.858 341 N N 3.751 122.285 118.700 -0.276 0.000 2.512 341 N HA -0.306 nan 4.740 nan 0.000 0.183 341 N C 0.705 176.122 175.510 -0.156 0.000 1.073 341 N CA 0.097 53.036 53.050 -0.185 0.000 0.911 341 N CB 0.168 38.582 38.487 -0.121 0.000 0.964 341 N HN 0.046 8.583 8.380 -0.235 -0.298 0.447 342 N N -2.869 115.729 118.700 -0.169 0.000 2.725 342 N HA -0.437 nan 4.740 nan 0.000 0.249 342 N C -1.954 173.493 175.510 -0.105 0.000 1.103 342 N CA 1.856 54.815 53.050 -0.153 0.000 0.707 342 N CB -0.689 37.703 38.487 -0.159 0.000 1.043 342 N HN -0.168 8.047 8.380 -0.191 0.050 0.553 343 E N -1.059 119.090 120.200 -0.084 0.000 2.186 343 E HA 0.287 nan 4.350 nan 0.000 0.255 343 E C -0.447 176.127 176.600 -0.042 0.000 0.881 343 E CA -1.581 54.783 56.400 -0.059 0.000 0.752 343 E CB 0.872 30.539 29.700 -0.055 0.000 1.176 343 E HN 0.171 8.846 8.360 -0.087 -0.367 0.421 344 R N 2.121 122.600 120.500 -0.035 0.000 4.000 344 R HA -0.435 nan 4.340 nan 0.000 0.348 344 R C 1.149 177.443 176.300 -0.010 0.000 1.204 344 R CA 1.222 57.312 56.100 -0.018 0.000 0.987 344 R CB -1.695 28.598 30.300 -0.012 0.000 1.446 344 R HN 0.906 9.153 8.270 -0.039 0.000 0.555 345 G N -1.808 106.975 108.800 -0.029 0.000 2.759 345 G HA2 -0.477 nan 3.960 nan 0.000 0.224 345 G HA3 -0.477 nan 3.960 nan 0.000 0.224 345 G C 0.583 175.494 174.900 0.018 0.000 1.173 345 G CA 1.875 46.959 45.100 -0.026 0.000 0.770 345 G HN 0.570 8.754 8.290 -0.047 0.077 0.626 346 T N 0.043 114.615 114.554 0.030 0.000 4.522 346 T HA -0.350 nan 4.350 nan 0.000 0.151 346 T C 0.433 175.192 174.700 0.098 0.000 1.477 346 T CA 1.081 63.233 62.100 0.087 0.000 1.182 346 T CB -1.033 67.890 68.868 0.091 0.000 0.830 346 T HN -0.189 8.056 8.240 0.008 0.000 0.305 347 Q N 2.556 122.408 119.800 0.088 0.000 2.831 347 Q HA -0.221 nan 4.340 nan 0.000 0.269 347 Q C -0.174 175.877 176.000 0.085 0.000 1.229 347 Q CA 1.147 57.005 55.803 0.091 0.000 1.075 347 Q CB -0.140 28.643 28.738 0.075 0.000 1.358 347 Q HN -0.134 8.183 8.270 0.078 0.000 0.553 348 G N -4.520 104.329 108.800 0.081 0.000 2.474 348 G HA2 0.227 nan 3.960 nan 0.000 0.234 348 G HA3 0.227 nan 3.960 nan 0.000 0.234 348 G C -3.259 171.670 174.900 0.047 0.000 1.204 348 G CA 0.192 45.326 45.100 0.057 0.000 0.939 348 G HN -0.228 8.126 8.290 0.090 -0.010 0.491 349 V N -0.263 119.645 119.914 -0.011 0.000 3.108 349 V HA 0.199 nan 4.120 nan 0.000 0.287 349 V C -2.764 173.189 176.094 -0.234 0.000 1.436 349 V CA -1.210 61.039 62.300 -0.085 0.000 1.001 349 V CB 3.266 35.111 31.823 0.038 0.000 1.141 349 V HN -0.369 7.905 8.190 -0.023 -0.098 0.443 350 K N 6.450 126.481 120.400 -0.615 0.000 2.447 350 K HA -0.008 nan 4.320 nan 0.000 0.281 350 K C -1.022 175.487 176.600 -0.153 0.000 1.031 350 K CA 1.363 57.383 56.287 -0.445 0.000 1.019 350 K CB 0.755 32.844 32.500 -0.686 0.000 0.918 350 K HN 0.354 7.874 8.250 -1.218 0.000 0.476 351 G N 3.548 112.320 108.800 -0.045 0.000 2.827 351 G HA2 0.509 nan 3.960 nan 0.000 0.296 351 G HA3 0.509 nan 3.960 nan 0.000 0.296 351 G C -2.700 172.250 174.900 0.085 0.000 1.362 351 G CA -1.300 43.803 45.100 0.007 0.000 0.809 351 G HN -0.195 8.067 8.290 -0.046 0.000 0.522 352 W N -4.653 116.638 121.300 -0.014 0.000 3.003 352 W HA 0.507 nan 4.660 nan 0.000 0.362 352 W C -2.811 173.726 176.519 0.029 0.000 1.213 352 W CA -1.862 55.505 57.345 0.037 0.000 1.157 352 W CB 2.229 31.721 29.460 0.054 0.000 1.493 352 W HN 0.073 7.905 8.180 -0.580 0.000 0.589 353 A N -1.555 121.364 122.820 0.165 0.000 2.569 353 A HA 0.518 nan 4.320 nan 0.000 0.292 353 A C -2.918 174.956 177.584 0.482 0.000 1.032 353 A CA 0.417 52.454 52.037 0.001 0.000 0.669 353 A CB 2.319 21.249 19.000 -0.117 0.000 1.290 353 A HN -0.099 8.404 8.150 0.587 0.000 0.422 354 F N -4.212 115.885 119.950 0.246 0.000 2.641 354 F HA 0.581 nan 4.527 nan 0.000 0.308 354 F C -2.342 173.489 175.800 0.052 0.000 1.105 354 F CA -1.532 56.518 58.000 0.082 0.000 0.964 354 F CB 2.709 41.465 39.000 -0.405 0.000 1.294 354 F HN 0.415 8.658 8.300 -0.095 0.000 0.442 355 D N 0.769 121.139 120.400 -0.050 0.000 2.312 355 D HA 0.191 nan 4.640 nan 0.000 0.248 355 D C -1.031 175.246 176.300 -0.038 0.000 1.086 355 D CA -0.853 52.978 54.000 -0.282 0.000 0.948 355 D CB 1.074 41.230 40.800 -1.072 0.000 1.162 355 D HN -0.147 8.263 8.370 0.066 0.000 0.446 356 N N 1.207 119.886 118.700 -0.036 0.000 2.664 356 N HA 0.079 nan 4.740 nan 0.000 0.268 356 N C -0.062 175.473 175.510 0.042 0.000 1.222 356 N CA 0.408 53.509 53.050 0.086 0.000 0.805 356 N CB 2.078 40.718 38.487 0.255 0.000 1.399 356 N HN 0.285 8.519 8.380 -0.082 0.096 0.547 357 G N 6.551 115.363 108.800 0.021 0.000 2.557 357 G HA2 -0.453 nan 3.960 nan 0.000 0.292 357 G HA3 -0.453 nan 3.960 nan 0.000 0.292 357 G C -0.363 174.598 174.900 0.101 0.000 1.162 357 G CA 1.488 46.620 45.100 0.054 0.000 0.964 357 G HN 0.647 8.935 8.290 -0.003 0.000 0.541 358 N N 5.713 124.488 118.700 0.126 0.000 2.230 358 N HA 0.203 nan 4.740 nan 0.000 0.202 358 N C -1.543 174.075 175.510 0.180 0.000 1.119 358 N CA -0.337 52.833 53.050 0.200 0.000 0.851 358 N CB 0.930 39.492 38.487 0.125 0.000 0.990 358 N HN 0.295 8.727 8.380 0.087 0.000 0.497 359 D N 0.149 120.610 120.400 0.100 0.000 2.385 359 D HA 0.580 nan 4.640 nan 0.000 0.254 359 D C -2.203 174.078 176.300 -0.030 0.000 1.053 359 D CA -0.223 53.774 54.000 -0.005 0.000 0.992 359 D CB 2.829 43.559 40.800 -0.117 0.000 1.145 359 D HN -0.152 8.062 8.370 0.075 0.202 0.523 360 L N -0.381 120.732 121.223 -0.182 0.000 2.436 360 L HA 0.571 nan 4.340 nan 0.000 0.268 360 L C -2.436 174.122 176.870 -0.521 0.000 0.974 360 L CA -0.280 54.427 54.840 -0.222 0.000 0.826 360 L CB 4.268 46.297 42.059 -0.049 0.000 1.291 360 L HN -0.291 7.786 8.230 -0.256 0.000 0.406 361 W N 6.018 126.989 121.300 -0.548 0.000 2.391 361 W HA 0.578 nan 4.660 nan 0.000 0.311 361 W C -1.324 174.860 176.519 -0.558 0.000 1.087 361 W CA -0.823 56.207 57.345 -0.526 0.000 1.209 361 W CB 1.954 30.942 29.460 -0.787 0.000 1.273 361 W HN 0.782 8.645 8.180 -0.529 0.000 0.482 362 M N -0.119 119.188 119.600 -0.489 0.000 2.520 362 M HA 0.810 nan 4.480 nan 0.000 0.280 362 M C -2.324 173.328 176.300 -1.081 0.000 1.232 362 M CA -0.852 53.873 55.300 -0.960 0.000 0.892 362 M CB 4.484 36.599 32.600 -0.808 0.000 1.728 362 M HN 0.631 8.655 8.290 -0.442 0.000 0.475 363 G N -1.929 106.093 108.800 -1.297 0.000 2.563 363 G HA2 0.925 nan 3.960 nan 0.000 0.302 363 G HA3 0.925 nan 3.960 nan 0.000 0.302 363 G C -2.387 171.953 174.900 -0.933 0.000 1.301 363 G CA -0.776 43.755 45.100 -0.948 0.000 0.965 363 G HN -0.208 7.081 8.290 -1.668 0.000 0.480 364 R N -1.958 117.958 120.500 -0.973 0.000 2.733 364 R HA 0.696 nan 4.340 nan 0.000 0.272 364 R C -0.727 175.150 176.300 -0.705 0.000 1.029 364 R CA -1.815 53.880 56.100 -0.675 0.000 0.888 364 R CB 2.647 32.747 30.300 -0.333 0.000 1.251 364 R HN 0.307 7.977 8.270 -1.000 0.000 0.464 365 T N -4.276 110.088 114.554 -0.317 0.000 2.802 365 T HA 0.176 nan 4.350 nan 0.000 0.305 365 T C 0.514 175.158 174.700 -0.092 0.000 1.053 365 T CA 0.020 62.052 62.100 -0.113 0.000 1.058 365 T CB 0.082 68.971 68.868 0.034 0.000 0.988 365 T HN 0.362 8.484 8.240 -0.197 0.000 0.539 366 I N -0.580 119.981 120.570 -0.015 0.000 2.617 366 I HA -0.076 nan 4.170 nan 0.000 0.256 366 I C 0.590 176.706 176.117 -0.002 0.000 1.167 366 I CA 2.212 63.510 61.300 -0.004 0.000 1.469 366 I CB 0.472 38.488 38.000 0.026 0.000 1.098 366 I HN -0.061 8.054 8.210 0.033 0.115 0.436 367 S N 0.023 115.730 115.700 0.012 0.000 2.537 367 S HA 0.051 nan 4.470 nan 0.000 0.275 367 S C -0.150 174.453 174.600 0.005 0.000 1.272 367 S CA -1.114 57.093 58.200 0.012 0.000 1.050 367 S CB 0.636 63.851 63.200 0.026 0.000 0.961 367 S HN -0.438 7.864 8.310 0.025 0.022 0.496 368 K N 4.455 124.855 120.400 -0.000 0.000 2.387 368 K HA 0.138 nan 4.320 nan 0.000 0.198 368 K C 0.387 176.989 176.600 0.004 0.000 1.022 368 K CA 0.937 57.222 56.287 -0.003 0.000 1.128 368 K CB 0.065 32.558 32.500 -0.011 0.000 0.853 368 K HN 0.581 8.830 8.250 -0.001 0.000 0.523 369 D N 0.317 120.723 120.400 0.010 0.000 2.753 369 D HA 0.118 nan 4.640 nan 0.000 0.291 369 D C -0.074 176.240 176.300 0.024 0.000 1.075 369 D CA 2.224 56.232 54.000 0.014 0.000 0.946 369 D CB 2.615 43.420 40.800 0.009 0.000 1.376 369 D HN -0.548 7.755 8.370 0.012 0.074 0.482 370 L N -2.412 118.828 121.223 0.028 0.000 2.332 370 L HA 0.258 nan 4.340 nan 0.000 0.269 370 L C -0.422 176.482 176.870 0.057 0.000 1.016 370 L CA -1.872 52.992 54.840 0.040 0.000 0.809 370 L CB 1.767 43.847 42.059 0.034 0.000 1.280 370 L HN -0.224 8.020 8.230 0.023 0.000 0.447 371 R N 1.225 121.773 120.500 0.079 0.000 4.071 371 R HA 0.034 nan 4.340 nan 0.000 0.220 371 R C -1.085 175.285 176.300 0.116 0.000 1.614 371 R CA -0.300 55.867 56.100 0.112 0.000 1.505 371 R CB -1.308 29.081 30.300 0.149 0.000 1.384 371 R HN 0.495 8.810 8.270 0.076 0.000 0.758 372 S N 0.726 116.482 115.700 0.093 0.000 2.454 372 S HA 0.645 nan 4.470 nan 0.000 0.306 372 S C -0.865 173.800 174.600 0.109 0.000 1.100 372 S CA -0.636 57.621 58.200 0.096 0.000 1.087 372 S CB 2.063 65.302 63.200 0.065 0.000 1.019 372 S HN -0.423 7.879 8.310 0.074 0.053 0.480 373 G N 5.161 114.045 108.800 0.141 0.000 2.888 373 G HA2 -0.377 nan 3.960 nan 0.000 0.441 373 G HA3 -0.377 nan 3.960 nan 0.000 0.441 373 G C -2.973 172.071 174.900 0.240 0.000 1.461 373 G CA 0.076 45.276 45.100 0.166 0.000 0.897 373 G HN 0.777 9.061 8.290 0.144 0.092 0.547 374 Y N 0.370 120.730 120.300 0.101 0.000 2.482 374 Y HA 0.444 nan 4.550 nan 0.000 0.334 374 Y C -2.731 173.228 175.900 0.098 0.000 1.091 374 Y CA -0.824 57.332 58.100 0.094 0.000 1.027 374 Y CB 4.072 42.604 38.460 0.121 0.000 1.306 374 Y HN 0.259 8.605 8.280 0.265 0.093 0.446 375 E N 3.560 123.707 120.200 -0.088 0.000 2.369 375 E HA 0.806 nan 4.350 nan 0.000 0.270 375 E C -2.107 174.475 176.600 -0.030 0.000 0.909 375 E CA -2.428 54.014 56.400 0.070 0.000 0.775 375 E CB 4.310 34.074 29.700 0.106 0.000 1.270 375 E HN 0.760 8.810 8.360 -0.516 0.000 0.445 376 T N -5.235 109.424 114.554 0.176 0.000 2.896 376 T HA 1.049 nan 4.350 nan 0.000 0.297 376 T C -1.955 172.954 174.700 0.348 0.000 1.108 376 T CA -2.165 60.003 62.100 0.113 0.000 1.004 376 T CB 2.953 72.006 68.868 0.309 0.000 1.159 376 T HN 0.764 9.168 8.240 0.272 0.000 0.499 377 F N -5.312 114.731 119.950 0.155 0.000 2.829 377 F HA 0.568 nan 4.527 nan 0.000 0.319 377 F C -2.869 172.828 175.800 -0.172 0.000 1.153 377 F CA -0.597 57.438 58.000 0.058 0.000 0.912 377 F CB 1.630 40.611 39.000 -0.033 0.000 1.292 377 F HN 0.411 8.542 8.300 -0.282 0.000 0.447 378 K N -0.859 119.369 120.400 -0.287 0.000 2.106 378 K HA 0.774 nan 4.320 nan 0.000 0.246 378 K C -1.491 174.967 176.600 -0.238 0.000 0.987 378 K CA -1.991 53.790 56.287 -0.843 0.000 0.904 378 K CB 2.992 34.651 32.500 -1.401 0.000 1.071 378 K HN 0.424 8.619 8.250 -0.091 0.000 0.453 379 V N 2.933 122.677 119.914 -0.283 0.000 2.488 379 V HA 0.426 nan 4.120 nan 0.000 0.293 379 V C -0.088 175.931 176.094 -0.126 0.000 1.027 379 V CA -1.034 61.213 62.300 -0.087 0.000 0.862 379 V CB 1.467 33.290 31.823 0.000 0.000 1.008 379 V HN 0.146 8.058 8.190 -0.463 0.000 0.428 380 I N 7.665 128.177 120.570 -0.097 0.000 2.581 380 I HA -0.196 nan 4.170 nan 0.000 0.285 380 I C 0.846 176.941 176.117 -0.037 0.000 1.129 380 I CA 1.069 62.326 61.300 -0.071 0.000 1.397 380 I CB -0.939 37.029 38.000 -0.054 0.000 1.399 380 I HN 0.844 9.004 8.210 -0.083 0.000 0.537 381 G N 7.581 116.373 108.800 -0.013 0.000 2.299 381 G HA2 -0.441 nan 3.960 nan 0.000 0.237 381 G HA3 -0.441 nan 3.960 nan 0.000 0.237 381 G C 1.155 176.068 174.900 0.021 0.000 1.027 381 G CA 0.846 45.952 45.100 0.010 0.000 0.619 381 G HN 0.579 9.127 8.290 -0.012 -0.265 0.513 382 G N 1.229 110.032 108.800 0.005 0.000 2.717 382 G HA2 -0.389 nan 3.960 nan 0.000 0.224 382 G HA3 -0.389 nan 3.960 nan 0.000 0.224 382 G C 0.206 175.147 174.900 0.069 0.000 1.088 382 G CA 1.881 46.989 45.100 0.012 0.000 0.734 382 G HN -0.479 7.585 8.290 -0.020 0.214 0.616 383 W N 1.022 122.292 121.300 -0.050 0.000 2.539 383 W HA -0.125 nan 4.660 nan 0.000 0.315 383 W C 0.625 177.144 176.519 -0.001 0.000 1.148 383 W CA 2.155 59.489 57.345 -0.017 0.000 1.403 383 W CB 1.101 30.562 29.460 0.002 0.000 1.168 383 W HN -0.280 7.888 8.180 0.219 0.143 0.489 384 S N -4.693 111.000 115.700 -0.012 0.000 2.528 384 S HA -0.059 nan 4.470 nan 0.000 0.219 384 S C 0.412 174.964 174.600 -0.081 0.000 0.985 384 S CA 0.766 58.911 58.200 -0.093 0.000 0.914 384 S CB 0.712 63.966 63.200 0.091 0.000 0.776 384 S HN -0.750 7.684 8.310 0.207 0.000 0.526 385 T N 2.657 117.177 114.554 -0.057 0.000 2.786 385 T HA 0.548 nan 4.350 nan 0.000 0.283 385 T C -2.485 172.175 174.700 -0.067 0.000 0.992 385 T CA -2.810 59.259 62.100 -0.052 0.000 0.954 385 T CB 0.904 69.758 68.868 -0.024 0.000 0.934 385 T HN -0.131 8.088 8.240 -0.035 0.000 0.440 386 P HA -0.236 nan 4.420 nan 0.000 0.267 386 P C -0.020 177.244 177.300 -0.059 0.000 1.195 386 P CA 0.450 63.505 63.100 -0.075 0.000 0.773 386 P CB 0.261 31.918 31.700 -0.071 0.000 0.837 387 N N -0.077 118.588 118.700 -0.059 0.000 2.677 387 N HA -0.408 nan 4.740 nan 0.000 0.249 387 N C -0.635 174.850 175.510 -0.043 0.000 1.073 387 N CA 1.101 54.121 53.050 -0.050 0.000 0.737 387 N CB -0.177 38.280 38.487 -0.051 0.000 0.999 387 N HN 0.289 8.630 8.380 -0.066 0.000 0.543 388 S N -2.304 113.372 115.700 -0.040 0.000 2.548 388 S HA 0.085 nan 4.470 nan 0.000 0.277 388 S C -0.133 174.450 174.600 -0.030 0.000 1.315 388 S CA 0.778 58.957 58.200 -0.034 0.000 1.050 388 S CB 1.057 64.240 63.200 -0.029 0.000 0.918 388 S HN -0.705 7.543 8.310 -0.044 0.036 0.497 389 K N 2.709 123.087 120.400 -0.036 0.000 2.706 389 K HA 0.181 nan 4.320 nan 0.000 0.203 389 K C -0.888 175.675 176.600 -0.061 0.000 1.102 389 K CA -0.696 55.564 56.287 -0.045 0.000 1.058 389 K CB 0.680 33.147 32.500 -0.055 0.000 0.779 389 K HN 0.398 8.625 8.250 -0.038 0.000 0.483 390 S N 2.318 117.988 115.700 -0.050 0.000 2.955 390 S HA 0.100 nan 4.470 nan 0.000 0.294 390 S C -1.147 173.415 174.600 -0.063 0.000 1.198 390 S CA -0.811 57.354 58.200 -0.058 0.000 1.008 390 S CB -0.855 62.318 63.200 -0.045 0.000 1.279 390 S HN 0.062 8.348 8.310 -0.040 0.000 0.508 391 Q N 4.268 124.010 119.800 -0.096 0.000 2.230 391 Q HA 0.559 nan 4.340 nan 0.000 0.253 391 Q C -1.424 174.524 176.000 -0.087 0.000 0.919 391 Q CA -1.007 54.741 55.803 -0.092 0.000 0.908 391 Q CB 1.766 30.337 28.738 -0.278 0.000 1.245 391 Q HN -0.202 7.992 8.270 -0.127 0.000 0.437 392 I N 2.764 123.305 120.570 -0.047 0.000 3.322 392 I HA 0.455 nan 4.170 nan 0.000 0.313 392 I C -1.253 174.889 176.117 0.042 0.000 1.129 392 I CA -1.693 59.595 61.300 -0.020 0.000 0.963 392 I CB 3.402 41.384 38.000 -0.030 0.000 1.273 392 I HN -0.023 8.055 8.210 -0.039 0.109 0.473 393 N N -1.142 117.626 118.700 0.114 0.000 2.710 393 N HA -0.371 nan 4.740 nan 0.000 0.249 393 N C -1.191 174.520 175.510 0.334 0.000 1.059 393 N CA 0.949 54.153 53.050 0.257 0.000 0.720 393 N CB -1.518 37.196 38.487 0.378 0.000 0.983 393 N HN 0.347 8.781 8.380 0.091 0.000 0.544 394 R N -1.843 118.811 120.500 0.257 0.000 2.861 394 R HA -0.061 nan 4.340 nan 0.000 0.268 394 R C -1.190 175.300 176.300 0.316 0.000 1.027 394 R CA 0.669 56.947 56.100 0.297 0.000 1.163 394 R CB 0.912 31.296 30.300 0.140 0.000 1.060 394 R HN -0.227 8.121 8.270 0.167 0.023 0.483 395 Q N -0.158 119.833 119.800 0.318 0.000 2.378 395 Q HA 0.127 nan 4.340 nan 0.000 0.262 395 Q C -2.216 173.943 176.000 0.266 0.000 0.978 395 Q CA -0.346 55.636 55.803 0.300 0.000 0.918 395 Q CB 4.409 33.331 28.738 0.307 0.000 1.415 395 Q HN 0.473 8.945 8.270 0.336 0.000 0.409 396 V N 0.720 120.778 119.914 0.241 0.000 2.407 396 V HA 0.620 nan 4.120 nan 0.000 0.278 396 V C -1.372 174.885 176.094 0.272 0.000 1.037 396 V CA -1.705 60.728 62.300 0.222 0.000 0.900 396 V CB 0.518 32.437 31.823 0.160 0.000 0.983 396 V HN 0.532 8.867 8.190 0.241 0.000 0.459 397 I N 4.945 125.682 120.570 0.279 0.000 2.628 397 I HA 0.254 nan 4.170 nan 0.000 0.255 397 I C -0.380 175.962 176.117 0.374 0.000 1.119 397 I CA 0.107 61.565 61.300 0.263 0.000 1.448 397 I CB 0.645 38.705 38.000 0.099 0.000 1.133 397 I HN 0.429 8.821 8.210 0.304 0.000 0.438 398 V N -0.857 119.238 119.914 0.302 0.000 2.525 398 V HA 0.247 nan 4.120 nan 0.000 0.299 398 V C -1.481 174.720 176.094 0.179 0.000 1.034 398 V CA -2.342 60.106 62.300 0.246 0.000 0.863 398 V CB 2.028 34.003 31.823 0.253 0.000 0.999 398 V HN -0.404 7.975 8.190 0.315 0.000 0.423 399 D N 6.068 126.538 120.400 0.117 0.000 2.423 399 D HA -0.027 nan 4.640 nan 0.000 0.238 399 D C 0.422 176.772 176.300 0.084 0.000 1.142 399 D CA 0.676 54.725 54.000 0.082 0.000 0.884 399 D CB 1.626 42.451 40.800 0.042 0.000 1.199 399 D HN 0.118 8.547 8.370 0.098 0.000 0.438 400 S N -0.480 115.260 115.700 0.067 0.000 2.440 400 S HA -0.410 nan 4.470 nan 0.000 0.240 400 S C 0.589 175.218 174.600 0.049 0.000 1.014 400 S CA 2.505 60.739 58.200 0.057 0.000 0.980 400 S CB -0.208 63.015 63.200 0.039 0.000 0.775 400 S HN 0.286 8.632 8.310 0.060 0.000 0.499 401 D N -0.835 119.590 120.400 0.042 0.000 2.336 401 D HA 0.073 nan 4.640 nan 0.000 0.229 401 D C -0.505 175.819 176.300 0.040 0.000 1.061 401 D CA 0.980 54.999 54.000 0.032 0.000 0.875 401 D CB 0.045 40.858 40.800 0.021 0.000 0.904 401 D HN -0.593 7.912 8.370 0.042 -0.110 0.525 402 N N -0.940 117.797 118.700 0.061 0.000 2.265 402 N HA 0.234 nan 4.740 nan 0.000 0.300 402 N C -1.609 173.958 175.510 0.094 0.000 1.148 402 N CA -0.649 52.446 53.050 0.074 0.000 0.772 402 N CB 3.366 41.906 38.487 0.089 0.000 1.434 402 N HN -0.111 8.124 8.380 0.070 0.186 0.481 403 R N 0.793 121.350 120.500 0.095 0.000 2.490 403 R HA 0.259 nan 4.340 nan 0.000 0.280 403 R C -0.500 175.888 176.300 0.147 0.000 1.077 403 R CA 0.788 56.954 56.100 0.109 0.000 1.065 403 R CB 0.746 31.101 30.300 0.092 0.000 1.003 403 R HN 0.447 8.767 8.270 0.084 0.000 0.470 404 S N 1.922 117.725 115.700 0.172 0.000 4.413 404 S HA 0.416 nan 4.470 nan 0.000 0.213 404 S C -1.055 173.677 174.600 0.220 0.000 1.104 404 S CA -1.334 56.993 58.200 0.213 0.000 1.790 404 S CB 2.715 66.089 63.200 0.290 0.000 0.973 404 S HN 0.548 8.954 8.310 0.161 0.000 0.757 405 G N -0.186 108.778 108.800 0.274 0.000 2.470 405 G HA2 -0.120 nan 3.960 nan 0.000 0.145 405 G HA3 -0.120 nan 3.960 nan 0.000 0.145 405 G C -1.833 173.323 174.900 0.426 0.000 1.223 405 G CA -0.253 45.038 45.100 0.319 0.000 1.058 405 G HN -0.136 8.344 8.290 0.317 0.000 0.469 406 Y N 0.495 120.917 120.300 0.203 0.000 2.546 406 Y HA -0.014 nan 4.550 nan 0.000 0.351 406 Y C -0.704 175.284 175.900 0.147 0.000 1.266 406 Y CA 0.388 58.614 58.100 0.210 0.000 1.487 406 Y CB 0.731 39.353 38.460 0.271 0.000 1.365 406 Y HN -0.456 8.334 8.280 0.559 -0.175 0.642 407 S N -1.786 114.012 115.700 0.162 0.000 2.556 407 S HA 0.266 nan 4.470 nan 0.000 0.280 407 S C -1.974 172.552 174.600 -0.124 0.000 1.141 407 S CA -0.265 57.837 58.200 -0.163 0.000 0.883 407 S CB 2.060 65.383 63.200 0.205 0.000 1.103 407 S HN -0.271 8.134 8.310 0.159 0.000 0.453 408 G N 1.748 110.195 108.800 -0.587 0.000 2.866 408 G HA2 0.476 nan 3.960 nan 0.000 0.289 408 G HA3 0.476 nan 3.960 nan 0.000 0.289 408 G C -3.237 171.578 174.900 -0.141 0.000 1.396 408 G CA -1.643 43.453 45.100 -0.008 0.000 0.848 408 G HN -0.362 7.101 8.290 -1.377 0.000 0.515 409 I N -1.344 119.266 120.570 0.065 0.000 3.023 409 I HA 0.989 nan 4.170 nan 0.000 0.312 409 I C -2.519 173.720 176.117 0.203 0.000 1.056 409 I CA -2.463 58.765 61.300 -0.120 0.000 1.033 409 I CB 3.365 41.316 38.000 -0.081 0.000 1.233 409 I HN 0.189 8.537 8.210 0.229 0.000 0.462 410 F N 0.892 120.794 119.950 -0.080 0.000 2.635 410 F HA 0.561 nan 4.527 nan 0.000 0.314 410 F C -2.761 172.980 175.800 -0.098 0.000 1.119 410 F CA -1.473 56.525 58.000 -0.004 0.000 1.000 410 F CB 2.623 41.696 39.000 0.122 0.000 1.278 410 F HN 0.530 8.526 8.300 -0.362 0.087 0.446 411 S N 1.683 117.444 115.700 0.101 0.000 2.608 411 S HA 0.785 nan 4.470 nan 0.000 0.291 411 S C -1.266 173.501 174.600 0.279 0.000 1.146 411 S CA -0.853 57.327 58.200 -0.034 0.000 1.043 411 S CB 1.797 64.818 63.200 -0.298 0.000 1.037 411 S HN 0.145 8.828 8.310 0.197 -0.255 0.520 412 V N 2.981 123.017 119.914 0.203 0.000 2.612 412 V HA 0.210 nan 4.120 nan 0.000 0.301 412 V C -2.419 173.794 176.094 0.198 0.000 1.059 412 V CA -0.787 61.662 62.300 0.249 0.000 0.886 412 V CB 4.083 35.975 31.823 0.114 0.000 1.007 412 V HN 0.882 9.100 8.190 0.047 0.000 0.426 413 E N 7.556 127.863 120.200 0.178 0.000 2.257 413 E HA 0.079 nan 4.350 nan 0.000 0.278 413 E C -0.639 175.963 176.600 0.003 0.000 1.049 413 E CA -0.206 56.233 56.400 0.065 0.000 0.876 413 E CB 0.630 30.257 29.700 -0.122 0.000 1.035 413 E HN 0.337 8.783 8.360 0.143 0.000 0.419 414 G N 4.259 113.060 108.800 0.002 0.000 2.568 414 G HA2 0.269 nan 3.960 nan 0.000 0.293 414 G HA3 0.269 nan 3.960 nan 0.000 0.293 414 G C -0.806 174.078 174.900 -0.025 0.000 1.347 414 G CA -1.414 43.675 45.100 -0.018 0.000 1.039 414 G HN 0.526 8.730 8.290 0.021 0.098 0.523 415 K N -0.208 120.177 120.400 -0.025 0.000 2.366 415 K HA -0.112 nan 4.320 nan 0.000 0.198 415 K C 0.913 177.499 176.600 -0.024 0.000 1.044 415 K CA 2.590 58.860 56.287 -0.027 0.000 0.973 415 K CB 0.178 32.664 32.500 -0.023 0.000 0.767 415 K HN 0.413 8.650 8.250 -0.023 0.000 0.475 416 S N -4.531 111.158 115.700 -0.018 0.000 2.663 416 S HA 0.050 nan 4.470 nan 0.000 0.247 416 S C -0.565 174.031 174.600 -0.007 0.000 1.074 416 S CA 0.065 58.256 58.200 -0.014 0.000 0.955 416 S CB 1.086 64.279 63.200 -0.011 0.000 0.901 416 S HN -0.032 8.227 8.310 -0.018 0.041 0.505 417 c N -1.825 116.773 118.600 -0.004 0.000 3.291 417 c HA 0.693 nan 4.570 nan 0.000 0.316 417 c C -2.246 171.856 174.090 0.020 0.000 1.391 417 c CA -2.886 53.447 56.329 0.006 0.000 1.394 417 c CB 3.959 46.466 42.510 -0.004 0.000 1.744 417 c HN -0.767 7.457 8.230 -0.009 0.000 0.461 418 I N -1.095 119.501 120.570 0.044 0.000 2.328 418 I HA 0.495 nan 4.170 nan 0.000 0.287 418 I C -2.050 174.046 176.117 -0.035 0.000 1.012 418 I CA -1.507 59.842 61.300 0.081 0.000 1.195 418 I CB 0.970 39.131 38.000 0.267 0.000 1.350 418 I HN 0.712 8.840 8.210 0.042 0.107 0.464 419 N N 8.445 127.099 118.700 -0.077 0.000 2.524 419 N HA 0.164 nan 4.740 nan 0.000 0.283 419 N C -1.890 173.435 175.510 -0.308 0.000 1.142 419 N CA -0.592 52.342 53.050 -0.192 0.000 0.984 419 N CB 2.542 40.924 38.487 -0.175 0.000 1.155 419 N HN 0.170 8.534 8.380 -0.026 0.000 0.467 420 R N 0.550 120.765 120.500 -0.475 0.000 2.532 420 R HA 0.747 nan 4.340 nan 0.000 0.295 420 R C -1.145 174.777 176.300 -0.630 0.000 0.968 420 R CA -1.956 53.749 56.100 -0.658 0.000 0.916 420 R CB 1.157 30.788 30.300 -1.114 0.000 1.124 420 R HN 0.080 8.076 8.270 -0.457 0.000 0.463 421 c N 0.010 118.079 118.600 -0.886 0.000 3.108 421 c HA 0.989 nan 4.570 nan 0.000 0.321 421 c C -1.937 171.537 174.090 -1.027 0.000 1.357 421 c CA -1.256 54.428 56.329 -1.075 0.000 1.562 421 c CB 4.098 45.565 42.510 -1.738 0.000 2.003 421 c HN 0.936 8.513 8.230 -0.916 0.103 0.460 422 F N -3.330 116.064 119.950 -0.926 0.000 2.654 422 F HA 0.915 nan 4.527 nan 0.000 0.308 422 F C -3.424 172.277 175.800 -0.166 0.000 1.108 422 F CA -1.886 55.678 58.000 -0.726 0.000 0.957 422 F CB 2.739 40.881 39.000 -1.431 0.000 1.309 422 F HN 0.534 8.191 8.300 -1.071 0.000 0.446 423 Y N -3.624 116.755 120.300 0.130 0.000 2.562 423 Y HA 0.846 nan 4.550 nan 0.000 0.343 423 Y C -2.541 173.480 175.900 0.203 0.000 1.025 423 Y CA -3.037 55.155 58.100 0.152 0.000 1.082 423 Y CB 2.442 41.041 38.460 0.232 0.000 1.264 423 Y HN -0.021 8.215 8.280 -0.074 0.000 0.478 424 V N -0.386 119.651 119.914 0.204 0.000 2.577 424 V HA 0.334 nan 4.120 nan 0.000 0.303 424 V C -1.760 174.496 176.094 0.271 0.000 1.042 424 V CA -1.354 60.980 62.300 0.056 0.000 0.872 424 V CB 2.167 33.900 31.823 -0.150 0.000 0.998 424 V HN 0.417 8.790 8.190 0.306 0.000 0.423 425 E N 6.048 126.442 120.200 0.324 0.000 2.259 425 E HA 0.294 nan 4.350 nan 0.000 0.281 425 E C -0.594 176.146 176.600 0.233 0.000 1.037 425 E CA -0.973 55.621 56.400 0.323 0.000 0.854 425 E CB 1.519 31.432 29.700 0.355 0.000 1.051 425 E HN 0.452 8.983 8.360 0.286 0.000 0.409 426 L N 8.093 129.439 121.223 0.205 0.000 2.371 426 L HA 0.304 nan 4.340 nan 0.000 0.262 426 L C -0.938 176.034 176.870 0.171 0.000 1.054 426 L CA -1.608 53.340 54.840 0.181 0.000 0.924 426 L CB -0.245 41.919 42.059 0.175 0.000 1.295 426 L HN 0.726 9.080 8.230 0.207 0.000 0.441 427 I N 5.167 125.832 120.570 0.158 0.000 2.474 427 I HA 0.066 nan 4.170 nan 0.000 0.287 427 I C -1.489 174.711 176.117 0.137 0.000 1.048 427 I CA -0.960 60.426 61.300 0.145 0.000 1.383 427 I CB 0.213 38.277 38.000 0.106 0.000 1.412 427 I HN -0.318 7.989 8.210 0.161 0.000 0.531 428 R N 5.049 125.653 120.500 0.173 0.000 2.905 428 R HA 0.463 nan 4.340 nan 0.000 0.260 428 R C -0.726 175.609 176.300 0.059 0.000 1.086 428 R CA -2.516 53.670 56.100 0.143 0.000 0.978 428 R CB 3.272 33.725 30.300 0.256 0.000 1.215 428 R HN 0.287 8.689 8.270 0.220 0.000 0.480 429 G N -0.396 108.289 108.800 -0.192 0.000 2.542 429 G HA2 -0.484 nan 3.960 nan 0.000 0.235 429 G HA3 -0.484 nan 3.960 nan 0.000 0.235 429 G C -0.728 173.986 174.900 -0.310 0.000 1.286 429 G CA -0.398 44.384 45.100 -0.529 0.000 0.904 429 G HN -0.355 8.050 8.290 -0.154 -0.207 0.577 430 R N 2.072 122.385 120.500 -0.311 0.000 2.655 430 R HA -0.290 nan 4.340 nan 0.000 0.266 430 R C 1.117 177.336 176.300 -0.135 0.000 0.981 430 R CA 1.146 57.120 56.100 -0.211 0.000 1.098 430 R CB -0.030 30.182 30.300 -0.147 0.000 0.928 430 R HN 0.150 8.080 8.270 -0.399 0.101 0.425 431 K N 1.170 121.483 120.400 -0.144 0.000 8.712 431 K HA -0.347 nan 4.320 nan 0.000 0.497 431 K C 0.493 177.027 176.600 -0.110 0.000 0.366 431 K CA 2.440 58.662 56.287 -0.108 0.000 1.961 431 K CB -2.155 30.301 32.500 -0.072 0.000 0.668 431 K HN 0.364 8.503 8.250 -0.185 0.000 0.977 432 Q N 0.601 120.346 119.800 -0.092 0.000 1.941 432 Q HA -0.148 nan 4.340 nan 0.000 0.201 432 Q C 0.074 176.002 176.000 -0.121 0.000 0.982 432 Q CA 1.979 57.733 55.803 -0.083 0.000 0.839 432 Q CB 1.120 29.828 28.738 -0.049 0.000 0.904 432 Q HN 0.032 8.211 8.270 -0.080 0.042 0.427 433 E N -0.458 119.651 120.200 -0.152 0.000 2.194 433 E HA 0.007 nan 4.350 nan 0.000 0.284 433 E C -0.874 175.553 176.600 -0.289 0.000 1.035 433 E CA -0.329 55.953 56.400 -0.196 0.000 0.836 433 E CB 0.542 30.125 29.700 -0.195 0.000 1.070 433 E HN -0.465 7.808 8.360 -0.145 0.000 0.401 434 T N 0.301 114.677 114.554 -0.297 0.000 3.182 434 T HA 0.284 nan 4.350 nan 0.000 0.277 434 T C 0.820 175.244 174.700 -0.461 0.000 1.013 434 T CA -0.539 61.311 62.100 -0.417 0.000 0.900 434 T CB 0.264 68.900 68.868 -0.387 0.000 1.098 434 T HN 0.395 8.492 8.240 -0.239 0.000 0.543 435 R N 1.872 122.166 120.500 -0.342 0.000 2.075 435 R HA -0.175 nan 4.340 nan 0.000 0.232 435 R C -0.679 175.444 176.300 -0.295 0.000 1.126 435 R CA 2.227 58.176 56.100 -0.252 0.000 0.963 435 R CB -0.099 30.110 30.300 -0.152 0.000 0.858 435 R HN -0.177 7.850 8.270 -0.309 0.059 0.435 436 V N -6.775 112.898 119.914 -0.401 0.000 2.837 436 V HA 0.180 nan 4.120 nan 0.000 0.310 436 V C 0.114 175.883 176.094 -0.542 0.000 1.059 436 V CA -3.184 58.858 62.300 -0.430 0.000 1.004 436 V CB 1.841 33.143 31.823 -0.869 0.000 1.045 436 V HN -0.666 7.246 8.190 -0.451 0.007 0.465 437 W N -0.055 121.093 121.300 -0.253 0.000 3.220 437 W HA 0.288 nan 4.660 nan 0.000 0.328 437 W C -0.793 175.704 176.519 -0.037 0.000 1.205 437 W CA 0.801 58.083 57.345 -0.107 0.000 1.773 437 W CB 0.632 30.107 29.460 0.024 0.000 1.086 437 W HN 0.457 8.741 8.180 0.174 0.000 0.622 438 W N -5.124 116.302 121.300 0.211 0.000 2.492 438 W HA 0.711 nan 4.660 nan 0.000 0.373 438 W C -2.024 174.551 176.519 0.092 0.000 1.323 438 W CA -1.774 55.662 57.345 0.151 0.000 1.406 438 W CB 1.521 31.066 29.460 0.141 0.000 1.398 438 W HN -0.904 6.837 8.180 -0.632 0.060 0.671 439 T N 1.677 116.580 114.554 0.581 0.000 3.071 439 T HA 0.401 nan 4.350 nan 0.000 0.311 439 T C -1.927 173.052 174.700 0.464 0.000 1.042 439 T CA 0.146 62.492 62.100 0.411 0.000 1.028 439 T CB 1.871 70.837 68.868 0.163 0.000 1.068 439 T HN -0.207 8.383 8.240 0.583 0.000 0.451 440 S N 3.401 119.383 115.700 0.470 0.000 3.070 440 S HA 0.577 nan 4.470 nan 0.000 0.320 440 S C -2.339 172.410 174.600 0.249 0.000 1.215 440 S CA -1.312 57.063 58.200 0.293 0.000 0.956 440 S CB 1.500 64.809 63.200 0.181 0.000 1.337 440 S HN 0.448 9.063 8.310 0.508 0.000 0.639 441 N N -2.242 116.579 118.700 0.202 0.000 3.348 441 N HA 0.278 nan 4.740 nan 0.000 0.233 441 N C -2.801 172.809 175.510 0.167 0.000 1.440 441 N CA 0.083 53.245 53.050 0.187 0.000 0.887 441 N CB 3.380 41.969 38.487 0.171 0.000 1.410 441 N HN 0.102 8.589 8.380 0.178 0.000 0.502 442 S N -3.226 112.569 115.700 0.159 0.000 2.745 442 S HA 0.748 nan 4.470 nan 0.000 0.306 442 S C -1.323 173.366 174.600 0.148 0.000 1.137 442 S CA -1.738 56.541 58.200 0.130 0.000 0.900 442 S CB 3.541 66.810 63.200 0.116 0.000 1.176 442 S HN 0.026 8.437 8.310 0.168 0.000 0.520 443 I N -6.611 114.032 120.570 0.121 0.000 3.145 443 I HA 0.989 nan 4.170 nan 0.000 0.313 443 I C -1.898 174.303 176.117 0.140 0.000 1.122 443 I CA -1.757 59.638 61.300 0.158 0.000 0.987 443 I CB 3.747 41.834 38.000 0.144 0.000 1.236 443 I HN -0.417 8.025 8.210 0.080 -0.183 0.453 444 V N -0.815 119.202 119.914 0.172 0.000 2.891 444 V HA 0.640 nan 4.120 nan 0.000 0.304 444 V C -2.498 173.693 176.094 0.161 0.000 1.171 444 V CA -0.754 61.640 62.300 0.158 0.000 0.943 444 V CB 2.981 34.942 31.823 0.231 0.000 1.037 444 V HN -0.275 8.045 8.190 0.217 0.000 0.427 445 V N 2.545 122.526 119.914 0.112 0.000 2.709 445 V HA 1.027 nan 4.120 nan 0.000 0.308 445 V C -2.584 173.490 176.094 -0.033 0.000 1.062 445 V CA -2.587 59.762 62.300 0.082 0.000 0.901 445 V CB 3.558 35.541 31.823 0.266 0.000 1.003 445 V HN 0.645 8.858 8.190 0.038 0.000 0.425 446 F N 5.709 125.260 119.950 -0.665 0.000 2.561 446 F HA 0.863 nan 4.527 nan 0.000 0.321 446 F C -1.598 173.782 175.800 -0.699 0.000 1.065 446 F CA -2.631 54.989 58.000 -0.634 0.000 0.934 446 F CB 4.817 43.361 39.000 -0.759 0.000 1.215 446 F HN -0.021 7.861 8.300 -0.695 0.000 0.471 447 c N 0.508 118.941 118.600 -0.279 0.000 2.634 447 c HA 0.707 nan 4.570 nan 0.000 0.313 447 c C -0.450 173.667 174.090 0.044 0.000 1.198 447 c CA -1.193 54.945 56.329 -0.320 0.000 1.605 447 c CB 4.074 46.187 42.510 -0.662 0.000 2.196 447 c HN 0.751 8.861 8.230 -0.200 0.000 0.486 448 G N 1.727 110.579 108.800 0.087 0.000 2.340 448 G HA2 0.035 nan 3.960 nan 0.000 0.245 448 G HA3 0.035 nan 3.960 nan 0.000 0.245 448 G C -1.481 173.317 174.900 -0.170 0.000 1.294 448 G CA 0.904 45.972 45.100 -0.053 0.000 0.896 448 G HN 0.082 8.322 8.290 -0.083 0.000 0.522 449 T N 2.676 117.102 114.554 -0.215 0.000 2.900 449 T HA 0.358 nan 4.350 nan 0.000 0.295 449 T C -0.613 174.032 174.700 -0.091 0.000 1.044 449 T CA -1.376 60.657 62.100 -0.110 0.000 0.995 449 T CB 2.506 71.359 68.868 -0.025 0.000 1.072 449 T HN 0.498 8.527 8.240 -0.353 0.000 0.473 450 S N 4.436 120.110 115.700 -0.044 0.000 2.575 450 S HA 0.393 nan 4.470 nan 0.000 0.237 450 S C 0.614 175.225 174.600 0.018 0.000 0.975 450 S CA -0.780 57.411 58.200 -0.015 0.000 0.960 450 S CB 0.273 63.462 63.200 -0.018 0.000 0.822 450 S HN 0.505 8.791 8.310 -0.041 0.000 0.472 451 G N 2.889 111.713 108.800 0.040 0.000 2.882 451 G HA2 0.129 nan 3.960 nan 0.000 0.164 451 G HA3 0.129 nan 3.960 nan 0.000 0.164 451 G C -1.669 173.268 174.900 0.061 0.000 1.429 451 G CA -0.696 44.432 45.100 0.047 0.000 1.059 451 G HN -0.134 8.093 8.290 0.046 0.091 0.581 452 T N -0.947 113.640 114.554 0.055 0.000 2.910 452 T HA 0.586 nan 4.350 nan 0.000 0.287 452 T C -1.405 173.349 174.700 0.091 0.000 1.050 452 T CA -0.390 61.682 62.100 -0.048 0.000 1.011 452 T CB 2.049 70.882 68.868 -0.058 0.000 1.195 452 T HN -0.130 8.150 8.240 0.068 0.000 0.540 453 Y N -3.644 116.707 120.300 0.085 0.000 2.779 453 Y HA 0.802 nan 4.550 nan 0.000 0.340 453 Y C -0.522 175.464 175.900 0.143 0.000 1.252 453 Y CA -1.260 56.913 58.100 0.121 0.000 1.072 453 Y CB 0.389 38.939 38.460 0.150 0.000 1.343 453 Y HN 0.657 8.668 8.280 -0.449 0.000 0.450 454 G N -0.479 108.577 108.800 0.427 0.000 3.392 454 G HA2 0.560 nan 3.960 nan 0.000 0.188 454 G HA3 0.560 nan 3.960 nan 0.000 0.188 454 G C -1.725 173.425 174.900 0.417 0.000 1.485 454 G CA -0.914 44.377 45.100 0.317 0.000 0.943 454 G HN 0.497 9.081 8.290 0.490 0.000 0.627 455 T N -0.488 114.265 114.554 0.330 0.000 2.864 455 T HA 0.495 nan 4.350 nan 0.000 0.299 455 T C -1.439 173.376 174.700 0.192 0.000 1.166 455 T CA 0.420 62.693 62.100 0.288 0.000 1.007 455 T CB 2.370 71.346 68.868 0.181 0.000 1.219 455 T HN 0.037 8.442 8.240 0.275 0.000 0.506 456 G N 1.899 110.715 108.800 0.027 0.000 2.335 456 G HA2 0.061 nan 3.960 nan 0.000 0.291 456 G HA3 0.061 nan 3.960 nan 0.000 0.291 456 G C -3.118 171.431 174.900 -0.585 0.000 1.261 456 G CA 0.875 45.679 45.100 -0.494 0.000 0.871 456 G HN 0.085 8.442 8.290 0.113 0.000 0.491 457 S N -0.308 114.751 115.700 -1.069 0.000 2.582 457 S HA 0.152 nan 4.470 nan 0.000 0.296 457 S C -1.885 172.447 174.600 -0.446 0.000 1.118 457 S CA 0.481 58.438 58.200 -0.404 0.000 0.947 457 S CB 1.462 64.560 63.200 -0.169 0.000 1.131 457 S HN -0.112 7.139 8.310 -1.766 0.000 0.453 458 W N 7.047 128.453 121.300 0.178 0.000 2.319 458 W HA 0.327 nan 4.660 nan 0.000 0.288 458 W C -2.328 174.281 176.519 0.149 0.000 0.959 458 W CA -1.600 55.850 57.345 0.174 0.000 1.784 458 W CB 1.272 30.878 29.460 0.243 0.000 1.848 458 W HN 0.418 8.950 8.180 0.586 0.000 0.408 459 P HA 0.260 nan 4.420 nan 0.000 0.279 459 P C 0.112 177.520 177.300 0.180 0.000 1.282 459 P CA -0.848 62.370 63.100 0.196 0.000 0.788 459 P CB 1.852 33.630 31.700 0.130 0.000 1.139 460 D N 0.849 121.341 120.400 0.154 0.000 2.106 460 D HA -0.365 nan 4.640 nan 0.000 0.191 460 D C 1.442 177.816 176.300 0.123 0.000 0.997 460 D CA 2.885 56.970 54.000 0.142 0.000 0.834 460 D CB 0.250 41.133 40.800 0.139 0.000 0.956 460 D HN 0.531 8.991 8.370 0.150 0.000 0.448 461 G N -2.895 105.966 108.800 0.102 0.000 2.213 461 G HA2 -0.388 nan 3.960 nan 0.000 0.236 461 G HA3 -0.388 nan 3.960 nan 0.000 0.236 461 G C -0.643 174.295 174.900 0.064 0.000 0.991 461 G CA -0.178 44.971 45.100 0.080 0.000 0.629 461 G HN 0.153 8.501 8.290 0.096 0.000 0.517 462 A N 1.373 124.240 122.820 0.078 0.000 2.425 462 A HA 0.013 nan 4.320 nan 0.000 0.249 462 A C -1.031 176.548 177.584 -0.009 0.000 1.084 462 A CA -0.105 51.977 52.037 0.074 0.000 0.781 462 A CB 0.435 19.516 19.000 0.134 0.000 1.019 462 A HN -0.434 8.004 8.150 0.097 -0.229 0.490 463 N N 2.405 121.032 118.700 -0.120 0.000 2.500 463 N HA 0.063 nan 4.740 nan 0.000 0.236 463 N C 0.746 176.119 175.510 -0.227 0.000 1.022 463 N CA -1.146 51.680 53.050 -0.372 0.000 0.935 463 N CB 0.662 38.477 38.487 -1.120 0.000 1.147 463 N HN 0.263 8.605 8.380 -0.062 0.000 0.512 464 I N 5.866 126.381 120.570 -0.091 0.000 2.597 464 I HA -0.396 nan 4.170 nan 0.000 0.262 464 I C 0.189 176.320 176.117 0.024 0.000 1.194 464 I CA 1.816 63.118 61.300 0.002 0.000 1.437 464 I CB 0.180 38.154 38.000 -0.042 0.000 1.096 464 I HN 0.548 8.702 8.210 -0.093 0.000 0.451 465 N N -1.992 116.675 118.700 -0.054 0.000 2.398 465 N HA -0.026 nan 4.740 nan 0.000 0.188 465 N C 0.493 176.221 175.510 0.363 0.000 1.122 465 N CA 2.272 55.376 53.050 0.090 0.000 0.866 465 N CB 0.265 38.785 38.487 0.054 0.000 0.970 465 N HN -0.580 7.836 8.380 -0.215 -0.165 0.462 466 F N -2.570 117.431 119.950 0.085 0.000 2.717 466 F HA 0.027 nan 4.527 nan 0.000 0.295 466 F C 0.105 175.972 175.800 0.113 0.000 1.117 466 F CA -0.442 57.608 58.000 0.084 0.000 1.361 466 F CB 0.877 39.921 39.000 0.073 0.000 1.112 466 F HN 0.089 8.276 8.300 0.142 0.198 0.594 467 M N 1.258 121.062 119.600 0.341 0.000 2.242 467 M HA 0.232 nan 4.480 nan 0.000 0.344 467 M C -1.870 174.632 176.300 0.337 0.000 1.140 467 M CA -3.341 52.166 55.300 0.345 0.000 1.160 467 M CB -0.943 31.963 32.600 0.509 0.000 1.491 467 M HN -0.946 7.360 8.290 0.298 0.163 0.459 468 P HA 0.050 nan 4.420 nan 0.000 0.269 468 P C -0.683 176.889 177.300 0.453 0.000 1.215 468 P CA 0.376 63.644 63.100 0.280 0.000 0.780 468 P CB 0.127 31.921 31.700 0.156 0.000 0.898 469 I N 0.000 120.773 120.570 0.338 0.000 2.984 469 I HA 0.000 nan 4.170 nan 0.000 0.288 469 I CA 0.000 61.517 61.300 0.362 0.000 1.566 469 I CB 0.000 38.315 38.000 0.525 0.000 1.214 469 I HN 0.000 8.360 8.210 0.250 0.000 0.494