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 1nn2_1_A DATA FIRST_RESID 82 DATA SEQUENCE VEYRNWSKPQ cQITGFAPFS KDNSIRLSAG GDIWVTREPY VScDPVKcYQ DATA SEQUENCE FALGQGTTLD NKHSNDTVHD RIPHRTLLMN ELGVPFHLGT RQVcIAWSSS DATA SEQUENCE ScHDGKAWLH VcITGDDKNA TASFIYDGRL VDSIGSWSQN ILRTQESEcV DATA SEQUENCE cINGTcTVVM TDGSASGRAD TRILFIEEGK IVHISPLAGS AQHVEEcScY DATA SEQUENCE PRYPGVRcIc RDNWKGSNRP VVDINMEDYS IDSSYVcSGL VGDTPRNDDR DATA SEQUENCE SSNSNcRDPN NERGTQGVKG WAFDNGNDLW MGRTISKDLR SGYETFKVIG DATA SEQUENCE GWSTPNSKSQ INRQVIVDSD NRSGYSGIFS VEGKScINRc FYVELIRGRK DATA SEQUENCE QETRVWWTSN SIVVFcGTSG TYGTGSWPDG ANINFMPI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 82 V HA 0.000 nan 4.120 nan 0.000 0.244 82 V C 0.000 176.019 176.094 -0.125 0.000 1.182 82 V CA 0.000 62.250 62.300 -0.084 0.000 1.235 82 V CB 0.000 31.772 31.823 -0.085 0.000 1.184 83 E N -0.947 119.174 120.200 -0.132 0.000 2.433 83 E HA 0.330 nan 4.350 nan 0.000 0.278 83 E C -2.069 174.463 176.600 -0.114 0.000 0.976 83 E CA -1.032 55.283 56.400 -0.141 0.000 0.793 83 E CB 3.618 33.281 29.700 -0.062 0.000 1.311 83 E HN -0.132 8.164 8.360 -0.107 0.000 0.460 84 Y N -1.646 118.646 120.300 -0.014 0.000 2.307 84 Y HA -0.001 nan 4.550 nan 0.000 0.324 84 Y C -0.157 175.707 175.900 -0.060 0.000 1.238 84 Y CA -0.009 58.082 58.100 -0.014 0.000 1.280 84 Y CB 1.211 39.680 38.460 0.016 0.000 1.248 84 Y HN 0.181 8.534 8.280 0.121 0.000 0.508 85 R N 1.656 122.211 120.500 0.092 0.000 2.442 85 R HA -0.034 nan 4.340 nan 0.000 0.291 85 R C 0.189 176.455 176.300 -0.057 0.000 1.069 85 R CA 0.626 56.626 56.100 -0.165 0.000 1.022 85 R CB 0.355 30.412 30.300 -0.406 0.000 0.976 85 R HN 0.321 8.587 8.270 0.185 0.116 0.443 86 N N 2.228 120.876 118.700 -0.086 0.000 2.159 86 N HA -0.026 nan 4.740 nan 0.000 0.217 86 N C -0.743 174.859 175.510 0.154 0.000 1.223 86 N CA -0.628 52.472 53.050 0.083 0.000 0.896 86 N CB -0.328 38.164 38.487 0.009 0.000 1.064 86 N HN 0.464 8.737 8.380 -0.178 0.000 0.518 87 W N -4.098 117.189 121.300 -0.021 0.000 6.727 87 W HA -0.333 nan 4.660 nan 0.000 0.393 87 W C -0.208 176.232 176.519 -0.132 0.000 1.441 87 W CA -0.015 57.317 57.345 -0.022 0.000 1.098 87 W CB -2.651 26.857 29.460 0.079 0.000 2.583 87 W HN -0.357 7.589 8.180 -0.287 0.062 1.634 88 S N -0.458 115.109 115.700 -0.221 0.000 3.940 88 S HA 0.146 nan 4.470 nan 0.000 0.210 88 S C -0.492 174.026 174.600 -0.136 0.000 1.419 88 S CA -0.087 57.848 58.200 -0.441 0.000 0.912 88 S CB -0.270 62.348 63.200 -0.971 0.000 1.489 88 S HN -0.338 8.065 8.310 -0.256 -0.247 0.469 89 K N 3.005 123.411 120.400 0.011 0.000 2.523 89 K HA 0.337 nan 4.320 nan 0.000 0.257 89 K C -2.755 173.889 176.600 0.072 0.000 0.932 89 K CA -2.694 53.612 56.287 0.032 0.000 0.812 89 K CB 2.117 34.638 32.500 0.035 0.000 1.326 89 K HN -0.655 7.605 8.250 0.084 0.041 0.433 90 P HA -0.129 nan 4.420 nan 0.000 0.267 90 P C -1.446 175.889 177.300 0.057 0.000 1.201 90 P CA -0.287 62.852 63.100 0.065 0.000 0.775 90 P CB 0.663 32.394 31.700 0.052 0.000 0.854 91 Q N 2.064 121.898 119.800 0.056 0.000 2.340 91 Q HA 0.052 nan 4.340 nan 0.000 0.249 91 Q C -0.537 175.477 176.000 0.024 0.000 0.957 91 Q CA -0.343 55.474 55.803 0.024 0.000 0.882 91 Q CB 1.201 29.958 28.738 0.033 0.000 1.235 91 Q HN 0.121 8.433 8.270 0.069 0.000 0.439 92 c N 5.624 124.218 118.600 -0.011 0.000 2.657 92 c HA -0.016 nan 4.570 nan 0.000 0.404 92 c C -0.802 173.300 174.090 0.020 0.000 1.291 92 c CA 0.685 57.009 56.329 -0.008 0.000 2.218 92 c CB 0.335 42.816 42.510 -0.048 0.000 2.687 92 c HN 0.269 8.470 8.230 -0.048 0.000 0.634 93 Q N 1.789 121.609 119.800 0.033 0.000 2.286 93 Q HA 0.055 nan 4.340 nan 0.000 0.257 93 Q C -1.114 174.903 176.000 0.029 0.000 0.941 93 Q CA -0.229 55.615 55.803 0.069 0.000 0.912 93 Q CB 1.016 29.796 28.738 0.070 0.000 1.192 93 Q HN 0.227 8.510 8.270 0.021 0.000 0.410 94 I N -2.484 118.106 120.570 0.033 0.000 2.828 94 I HA 0.440 nan 4.170 nan 0.000 0.302 94 I C -0.848 175.270 176.117 0.003 0.000 1.101 94 I CA -1.711 59.522 61.300 -0.112 0.000 1.031 94 I CB 3.442 41.199 38.000 -0.404 0.000 1.231 94 I HN -0.191 8.102 8.210 0.138 0.000 0.427 95 T N 2.539 117.072 114.554 -0.035 0.000 3.014 95 T HA 0.341 nan 4.350 nan 0.000 0.250 95 T C -0.352 174.453 174.700 0.176 0.000 1.060 95 T CA 0.775 62.981 62.100 0.178 0.000 1.040 95 T CB 1.392 70.382 68.868 0.203 0.000 0.971 95 T HN 0.898 8.967 8.240 -0.100 0.111 0.497 96 G N -0.239 108.274 108.800 -0.479 0.000 2.356 96 G HA2 0.102 nan 3.960 nan 0.000 0.266 96 G HA3 0.102 nan 3.960 nan 0.000 0.266 96 G C -3.357 170.719 174.900 -1.374 0.000 1.312 96 G CA 0.791 45.318 45.100 -0.955 0.000 0.922 96 G HN -0.721 7.195 8.290 -0.623 0.000 0.480 97 F N -0.130 119.547 119.950 -0.455 0.000 2.508 97 F HA 0.634 nan 4.527 nan 0.000 0.325 97 F C -1.323 174.425 175.800 -0.087 0.000 1.090 97 F CA -1.955 55.944 58.000 -0.169 0.000 0.945 97 F CB 2.951 42.026 39.000 0.125 0.000 1.156 97 F HN 0.334 8.611 8.300 -0.759 -0.433 0.463 98 A N 3.247 126.131 122.820 0.107 0.000 2.324 98 A HA 0.614 nan 4.320 nan 0.000 0.330 98 A C -3.092 174.256 177.584 -0.394 0.000 1.165 98 A CA -3.244 48.779 52.037 -0.023 0.000 0.813 98 A CB 1.050 20.017 19.000 -0.055 0.000 1.197 98 A HN 0.877 9.083 8.150 0.093 0.000 0.484 99 P HA -0.034 nan 4.420 nan 0.000 0.264 99 P C -1.709 175.190 177.300 -0.668 0.000 1.179 99 P CA 1.223 63.413 63.100 -1.517 0.000 0.763 99 P CB 0.312 31.363 31.700 -1.082 0.000 0.806 100 F N 4.295 123.759 119.950 -0.809 0.000 2.570 100 F HA 0.282 nan 4.527 nan 0.000 0.290 100 F C -0.689 174.938 175.800 -0.288 0.000 0.910 100 F CA -0.528 57.228 58.000 -0.408 0.000 1.119 100 F CB 2.634 41.462 39.000 -0.288 0.000 0.922 100 F HN 0.477 8.280 8.300 -0.828 0.000 0.703 101 S N -2.643 112.869 115.700 -0.312 0.000 2.587 101 S HA 0.167 nan 4.470 nan 0.000 0.269 101 S C -2.707 171.775 174.600 -0.197 0.000 1.154 101 S CA 0.241 58.245 58.200 -0.325 0.000 0.824 101 S CB 1.441 64.401 63.200 -0.400 0.000 1.118 101 S HN -0.434 7.713 8.310 -0.272 0.000 0.462 102 K N 1.562 121.871 120.400 -0.151 0.000 2.580 102 K HA 0.188 nan 4.320 nan 0.000 0.258 102 K C -1.943 174.605 176.600 -0.086 0.000 0.936 102 K CA 0.208 56.455 56.287 -0.066 0.000 0.852 102 K CB 1.720 34.210 32.500 -0.017 0.000 1.329 102 K HN -0.111 8.030 8.250 -0.181 0.000 0.430 103 D N 4.214 124.564 120.400 -0.083 0.000 2.389 103 D HA 0.044 nan 4.640 nan 0.000 0.206 103 D C 0.583 176.840 176.300 -0.072 0.000 1.055 103 D CA -0.319 53.608 54.000 -0.121 0.000 0.856 103 D CB 0.238 40.912 40.800 -0.211 0.000 0.957 103 D HN 0.112 8.449 8.370 -0.056 0.000 0.509 104 N N -1.432 117.258 118.700 -0.017 0.000 2.714 104 N HA -0.389 nan 4.740 nan 0.000 0.250 104 N C 0.844 176.362 175.510 0.014 0.000 1.117 104 N CA 1.256 54.316 53.050 0.016 0.000 0.719 104 N CB -0.755 37.743 38.487 0.017 0.000 1.081 104 N HN -0.024 8.356 8.380 -0.001 0.000 0.557 105 S N -0.166 115.536 115.700 0.003 0.000 2.380 105 S HA -0.383 nan 4.470 nan 0.000 0.229 105 S C 1.141 175.755 174.600 0.024 0.000 1.043 105 S CA 3.922 62.131 58.200 0.014 0.000 1.038 105 S CB -0.135 63.089 63.200 0.040 0.000 0.872 105 S HN -0.576 7.918 8.310 -0.012 -0.191 0.456 106 I N -1.567 119.031 120.570 0.047 0.000 2.406 106 I HA -0.267 nan 4.170 nan 0.000 0.249 106 I C 1.277 177.428 176.117 0.057 0.000 1.122 106 I CA 1.280 62.605 61.300 0.040 0.000 1.431 106 I CB -1.037 37.038 38.000 0.126 0.000 1.087 106 I HN -0.347 7.904 8.210 0.069 0.000 0.424 107 R N -1.177 119.368 120.500 0.074 0.000 2.066 107 R HA -0.234 nan 4.340 nan 0.000 0.232 107 R C 3.072 179.409 176.300 0.062 0.000 1.131 107 R CA 2.964 59.117 56.100 0.088 0.000 0.955 107 R CB -0.116 30.236 30.300 0.087 0.000 0.851 107 R HN -0.783 7.530 8.270 0.071 0.000 0.432 108 L N -0.140 121.104 121.223 0.036 0.000 2.042 108 L HA -0.343 nan 4.340 nan 0.000 0.210 108 L C 1.991 178.865 176.870 0.005 0.000 1.076 108 L CA 2.825 57.676 54.840 0.017 0.000 0.749 108 L CB -0.497 41.566 42.059 0.007 0.000 0.893 108 L HN -0.136 8.115 8.230 0.035 0.000 0.432 109 S N -1.074 114.618 115.700 -0.014 0.000 2.493 109 S HA -0.253 nan 4.470 nan 0.000 0.243 109 S C 0.822 175.397 174.600 -0.042 0.000 0.991 109 S CA 2.805 60.970 58.200 -0.058 0.000 0.957 109 S CB -0.758 62.354 63.200 -0.148 0.000 0.756 109 S HN -0.217 7.999 8.310 -0.009 0.088 0.521 110 A N -1.065 121.763 122.820 0.013 0.000 2.307 110 A HA 0.181 nan 4.320 nan 0.000 0.218 110 A C -0.094 177.505 177.584 0.025 0.000 1.228 110 A CA 0.288 52.351 52.037 0.044 0.000 0.857 110 A CB -0.022 19.047 19.000 0.115 0.000 0.897 110 A HN -0.655 7.343 8.150 0.029 0.170 0.495 111 G N -1.918 106.886 108.800 0.006 0.000 4.775 111 G HA2 0.081 nan 3.960 nan 0.000 0.222 111 G HA3 0.081 nan 3.960 nan 0.000 0.222 111 G C -1.841 173.053 174.900 -0.010 0.000 0.974 111 G CA 0.586 45.684 45.100 -0.003 0.000 0.614 111 G HN -0.157 7.952 8.290 0.002 0.183 0.427 112 G N -0.828 107.962 108.800 -0.017 0.000 2.340 112 G HA2 -0.127 nan 3.960 nan 0.000 0.298 112 G HA3 -0.127 nan 3.960 nan 0.000 0.298 112 G C -2.991 171.893 174.900 -0.026 0.000 1.498 112 G CA 0.246 45.337 45.100 -0.016 0.000 0.847 112 G HN -0.537 7.739 8.290 -0.022 0.000 0.594 113 D N 1.362 121.749 120.400 -0.020 0.000 2.473 113 D HA 0.266 nan 4.640 nan 0.000 0.226 113 D C -1.412 174.877 176.300 -0.018 0.000 1.089 113 D CA -0.259 53.710 54.000 -0.051 0.000 0.883 113 D CB 0.281 41.042 40.800 -0.065 0.000 1.029 113 D HN 0.055 8.423 8.370 -0.004 0.000 0.517 114 I N 1.388 121.944 120.570 -0.024 0.000 2.433 114 I HA 0.400 nan 4.170 nan 0.000 0.292 114 I C -0.655 175.497 176.117 0.059 0.000 1.001 114 I CA -2.446 58.893 61.300 0.066 0.000 1.119 114 I CB 1.774 39.807 38.000 0.054 0.000 1.289 114 I HN -0.423 7.750 8.210 -0.062 0.000 0.438 115 W N 6.568 127.880 121.300 0.021 0.000 2.209 115 W HA -0.205 nan 4.660 nan 0.000 0.344 115 W C -0.021 176.488 176.519 -0.017 0.000 1.285 115 W CA 1.833 59.175 57.345 -0.005 0.000 1.267 115 W CB 0.104 29.554 29.460 -0.016 0.000 1.167 115 W HN 0.515 9.006 8.180 0.520 0.000 0.574 116 V N 4.261 124.330 119.914 0.260 0.000 2.461 116 V HA 0.292 nan 4.120 nan 0.000 0.275 116 V C -0.571 175.639 176.094 0.193 0.000 1.047 116 V CA -0.029 62.362 62.300 0.152 0.000 0.955 116 V CB -0.266 31.629 31.823 0.120 0.000 0.988 116 V HN 0.333 8.696 8.190 0.288 0.000 0.471 117 T N 5.124 119.764 114.554 0.142 0.000 2.669 117 T HA 0.848 nan 4.350 nan 0.000 0.283 117 T C -1.430 173.318 174.700 0.080 0.000 1.019 117 T CA -2.019 60.125 62.100 0.074 0.000 1.039 117 T CB 3.171 72.040 68.868 0.002 0.000 1.374 117 T HN 0.297 8.624 8.240 0.145 0.000 0.523 118 R N -1.540 118.983 120.500 0.039 0.000 2.774 118 R HA 0.065 nan 4.340 nan 0.000 0.279 118 R C -1.680 174.626 176.300 0.010 0.000 1.022 118 R CA 0.056 56.170 56.100 0.023 0.000 0.855 118 R CB 4.033 34.332 30.300 -0.002 0.000 1.279 118 R HN -0.167 8.105 8.270 0.003 0.000 0.485 119 E N -2.313 117.869 120.200 -0.030 0.000 2.210 119 E HA -0.305 nan 4.350 nan 0.000 0.201 119 E C -2.454 174.252 176.600 0.175 0.000 1.339 119 E CA 0.611 57.042 56.400 0.051 0.000 0.699 119 E CB -2.249 27.497 29.700 0.078 0.000 1.126 119 E HN -0.109 8.364 8.360 -0.113 -0.181 0.355 120 P HA 0.155 nan 4.420 nan 0.000 0.276 120 P C -2.207 175.029 177.300 -0.107 0.000 1.252 120 P CA -0.176 62.952 63.100 0.046 0.000 0.802 120 P CB 1.019 32.739 31.700 0.034 0.000 1.035 121 Y N -7.833 112.191 120.300 -0.461 0.000 2.713 121 Y HA 0.263 nan 4.550 nan 0.000 0.335 121 Y C -2.685 173.004 175.900 -0.351 0.000 1.222 121 Y CA -1.793 55.789 58.100 -0.863 0.000 1.061 121 Y CB 1.438 39.729 38.460 -0.282 0.000 1.314 121 Y HN 0.123 8.228 8.280 -0.293 0.000 0.453 122 V N -3.506 116.348 119.914 -0.101 0.000 2.841 122 V HA 0.756 nan 4.120 nan 0.000 0.310 122 V C -2.553 173.573 176.094 0.053 0.000 1.090 122 V CA -2.477 59.779 62.300 -0.073 0.000 0.930 122 V CB 2.924 34.494 31.823 -0.421 0.000 1.014 122 V HN 0.187 8.418 8.190 0.069 0.000 0.425 123 S N 3.724 119.671 115.700 0.412 0.000 2.632 123 S HA 0.744 nan 4.470 nan 0.000 0.289 123 S C -2.340 172.638 174.600 0.630 0.000 1.115 123 S CA -2.529 55.988 58.200 0.529 0.000 0.889 123 S CB 3.349 66.949 63.200 0.668 0.000 1.116 123 S HN 0.189 8.874 8.310 0.625 0.000 0.486 124 c N 2.097 121.036 118.600 0.566 0.000 2.516 124 c HA 0.737 nan 4.570 nan 0.000 0.338 124 c C -1.635 172.614 174.090 0.266 0.000 1.132 124 c CA -1.540 55.068 56.329 0.464 0.000 1.310 124 c CB 2.533 45.249 42.510 0.345 0.000 1.898 124 c HN 0.491 9.026 8.230 0.508 0.000 0.452 125 D N 7.870 128.402 120.400 0.219 0.000 2.433 125 D HA 0.392 nan 4.640 nan 0.000 0.255 125 D C -1.178 174.983 176.300 -0.232 0.000 1.226 125 D CA -1.699 52.092 54.000 -0.349 0.000 1.015 125 D CB -0.005 40.558 40.800 -0.394 0.000 1.091 125 D HN 0.199 8.868 8.370 0.498 0.000 0.527 126 P HA -0.102 nan 4.420 nan 0.000 0.239 126 P C -1.177 176.066 177.300 -0.094 0.000 1.184 126 P CA 1.075 64.065 63.100 -0.183 0.000 0.760 126 P CB -0.212 31.372 31.700 -0.194 0.000 0.884 127 V N -7.537 112.344 119.914 -0.054 0.000 3.350 127 V HA 0.169 nan 4.120 nan 0.000 0.246 127 V C -1.247 174.844 176.094 -0.005 0.000 1.363 127 V CA 0.428 62.716 62.300 -0.020 0.000 1.162 127 V CB 1.476 33.295 31.823 -0.007 0.000 0.947 127 V HN -0.097 8.174 8.190 -0.053 -0.112 0.454 128 K N -3.845 116.562 120.400 0.011 0.000 2.533 128 K HA 0.193 nan 4.320 nan 0.000 0.284 128 K C -2.073 174.481 176.600 -0.078 0.000 1.025 128 K CA -1.147 55.101 56.287 -0.065 0.000 0.900 128 K CB 3.554 35.945 32.500 -0.181 0.000 1.519 128 K HN -0.944 7.630 8.250 0.056 -0.291 0.432 129 c N -0.841 117.632 118.600 -0.212 0.000 2.454 129 c HA 0.953 nan 4.570 nan 0.000 0.336 129 c C -0.539 173.232 174.090 -0.532 0.000 1.189 129 c CA -0.878 55.361 56.329 -0.149 0.000 1.877 129 c CB 1.727 44.223 42.510 -0.024 0.000 2.348 129 c HN 0.378 8.466 8.230 -0.237 0.000 0.508 130 Y N -0.523 119.739 120.300 -0.065 0.000 2.512 130 Y HA 0.386 nan 4.550 nan 0.000 0.348 130 Y C -2.034 173.618 175.900 -0.413 0.000 0.990 130 Y CA -1.561 56.341 58.100 -0.330 0.000 1.033 130 Y CB 3.821 41.910 38.460 -0.619 0.000 1.259 130 Y HN 1.139 9.557 8.280 0.230 0.000 0.461 131 Q N -0.875 118.730 119.800 -0.324 0.000 2.256 131 Q HA 0.785 nan 4.340 nan 0.000 0.257 131 Q C -1.171 174.614 176.000 -0.360 0.000 0.936 131 Q CA -1.712 53.945 55.803 -0.244 0.000 0.903 131 Q CB 2.336 30.951 28.738 -0.204 0.000 1.263 131 Q HN 0.433 8.513 8.270 -0.316 0.000 0.440 132 F N 1.501 121.256 119.950 -0.326 0.000 2.593 132 F HA 0.821 nan 4.527 nan 0.000 0.320 132 F C -1.577 173.929 175.800 -0.489 0.000 1.060 132 F CA -1.985 55.690 58.000 -0.542 0.000 0.940 132 F CB 4.332 42.667 39.000 -1.108 0.000 1.268 132 F HN 0.664 8.938 8.300 -0.043 0.000 0.475 133 A N -1.410 121.209 122.820 -0.336 0.000 2.601 133 A HA 0.624 nan 4.320 nan 0.000 0.291 133 A C -2.750 174.658 177.584 -0.294 0.000 1.075 133 A CA -0.220 51.656 52.037 -0.268 0.000 0.671 133 A CB 3.441 22.253 19.000 -0.314 0.000 1.277 133 A HN 0.155 8.050 8.150 -0.424 0.000 0.417 134 L N 0.224 121.364 121.223 -0.139 0.000 2.261 134 L HA 0.548 nan 4.340 nan 0.000 0.289 134 L C 0.322 177.106 176.870 -0.143 0.000 1.059 134 L CA -1.631 53.145 54.840 -0.106 0.000 0.816 134 L CB -0.074 41.997 42.059 0.019 0.000 1.191 134 L HN 0.178 8.369 8.230 -0.065 0.000 0.431 135 G N 3.191 111.843 108.800 -0.247 0.000 2.572 135 G HA2 0.154 nan 3.960 nan 0.000 0.261 135 G HA3 0.154 nan 3.960 nan 0.000 0.261 135 G C -0.736 174.220 174.900 0.094 0.000 1.197 135 G CA -0.455 44.562 45.100 -0.139 0.000 0.870 135 G HN 0.866 8.965 8.290 -0.318 0.000 0.548 136 Q N 1.663 121.602 119.800 0.231 0.000 2.237 136 Q HA -0.006 nan 4.340 nan 0.000 0.252 136 Q C 0.548 176.711 176.000 0.272 0.000 0.877 136 Q CA -1.607 54.327 55.803 0.219 0.000 1.011 136 Q CB -0.639 28.214 28.738 0.192 0.000 1.118 136 Q HN -0.027 8.417 8.270 0.291 0.000 0.458 137 G N -0.012 109.031 108.800 0.404 0.000 2.361 137 G HA2 -0.512 nan 3.960 nan 0.000 0.294 137 G HA3 -0.512 nan 3.960 nan 0.000 0.294 137 G C -1.726 173.202 174.900 0.047 0.000 1.004 137 G CA 1.187 46.493 45.100 0.343 0.000 0.870 137 G HN 0.474 8.940 8.290 0.417 0.074 0.510 138 T N -2.927 111.600 114.554 -0.046 0.000 2.749 138 T HA 0.255 nan 4.350 nan 0.000 0.310 138 T C -1.828 172.690 174.700 -0.303 0.000 1.496 138 T CA -1.104 60.875 62.100 -0.202 0.000 1.006 138 T CB 2.389 71.265 68.868 0.014 0.000 1.457 138 T HN -0.468 7.858 8.240 0.184 0.025 0.497 139 T N -0.592 113.783 114.554 -0.298 0.000 2.952 139 T HA 0.744 nan 4.350 nan 0.000 0.286 139 T C -0.651 173.951 174.700 -0.163 0.000 1.024 139 T CA -1.931 60.009 62.100 -0.268 0.000 1.029 139 T CB 1.703 70.390 68.868 -0.301 0.000 1.094 139 T HN -0.072 8.220 8.240 -0.221 -0.184 0.515 140 L N -0.478 120.627 121.223 -0.197 0.000 2.072 140 L HA -0.118 nan 4.340 nan 0.000 0.205 140 L C -0.284 176.448 176.870 -0.230 0.000 1.079 140 L CA 3.138 57.789 54.840 -0.315 0.000 0.752 140 L CB 0.623 42.371 42.059 -0.519 0.000 0.906 140 L HN 0.426 8.549 8.230 -0.179 0.000 0.436 141 D N -2.745 117.559 120.400 -0.159 0.000 2.563 141 D HA 0.054 nan 4.640 nan 0.000 0.222 141 D C -1.571 174.679 176.300 -0.084 0.000 1.145 141 D CA -0.320 53.625 54.000 -0.091 0.000 1.001 141 D CB -1.347 39.412 40.800 -0.068 0.000 1.049 141 D HN -0.237 8.039 8.370 -0.157 0.000 0.515 142 N N 1.980 120.634 118.700 -0.076 0.000 2.406 142 N HA 0.071 nan 4.740 nan 0.000 0.283 142 N C -0.027 175.424 175.510 -0.098 0.000 1.074 142 N CA -0.477 52.519 53.050 -0.090 0.000 0.916 142 N CB 2.204 40.646 38.487 -0.074 0.000 1.639 142 N HN -0.620 7.675 8.380 -0.060 0.048 0.485 143 K N 3.278 123.562 120.400 -0.193 0.000 2.360 143 K HA -0.308 nan 4.320 nan 0.000 0.201 143 K C 1.554 178.056 176.600 -0.163 0.000 1.046 143 K CA 2.544 58.718 56.287 -0.188 0.000 0.945 143 K CB -0.066 32.287 32.500 -0.245 0.000 0.750 143 K HN 0.693 8.811 8.250 -0.221 0.000 0.464 144 H N -1.828 117.237 119.070 -0.008 0.000 2.556 144 H HA -0.020 nan 4.556 nan 0.000 0.268 144 H C 1.078 176.436 175.328 0.050 0.000 0.996 144 H CA 1.249 57.303 56.048 0.010 0.000 1.157 144 H CB -0.741 29.010 29.762 -0.018 0.000 1.355 144 H HN 0.118 8.178 8.280 -0.215 0.090 0.597 145 S N -1.269 114.512 115.700 0.136 0.000 2.496 145 S HA -0.184 nan 4.470 nan 0.000 0.224 145 S C 0.163 174.913 174.600 0.250 0.000 0.996 145 S CA 0.817 59.125 58.200 0.180 0.000 0.927 145 S CB 0.662 63.941 63.200 0.130 0.000 0.774 145 S HN 0.096 8.397 8.310 0.077 0.055 0.524 146 N N 2.829 121.649 118.700 0.200 0.000 2.411 146 N HA -0.263 nan 4.740 nan 0.000 0.261 146 N C -0.360 175.271 175.510 0.203 0.000 1.248 146 N CA 1.623 54.794 53.050 0.201 0.000 0.885 146 N CB -0.072 38.433 38.487 0.029 0.000 1.062 146 N HN -0.838 7.580 8.380 0.136 0.044 0.471 147 D N 2.992 123.535 120.400 0.237 0.000 2.809 147 D HA -0.336 nan 4.640 nan 0.000 0.234 147 D C 0.020 176.382 176.300 0.104 0.000 1.111 147 D CA 1.182 55.279 54.000 0.162 0.000 0.726 147 D CB -0.605 40.329 40.800 0.223 0.000 1.089 147 D HN 0.296 8.851 8.370 0.309 0.000 0.436 148 T N -6.120 108.511 114.554 0.129 0.000 3.219 148 T HA 0.110 nan 4.350 nan 0.000 0.249 148 T C 0.479 175.198 174.700 0.032 0.000 1.099 148 T CA 0.001 62.176 62.100 0.126 0.000 0.988 148 T CB -0.174 68.810 68.868 0.194 0.000 0.999 148 T HN -0.360 7.991 8.240 0.185 0.000 0.550 149 V N -2.781 117.058 119.914 -0.125 0.000 2.594 149 V HA -0.126 nan 4.120 nan 0.000 0.253 149 V C 0.769 176.768 176.094 -0.157 0.000 1.069 149 V CA 0.883 63.083 62.300 -0.167 0.000 1.082 149 V CB -0.988 30.684 31.823 -0.251 0.000 0.680 149 V HN -0.236 7.790 8.190 -0.138 0.081 0.469 150 H N 0.632 119.729 119.070 0.045 0.000 2.886 150 H HA -0.006 nan 4.556 nan 0.000 0.329 150 H C 0.173 175.499 175.328 -0.004 0.000 1.044 150 H CA 0.534 56.587 56.048 0.009 0.000 1.456 150 H CB 0.295 30.062 29.762 0.008 0.000 1.464 150 H HN -0.586 7.430 8.280 -0.334 0.063 0.573 151 D N 3.307 123.751 120.400 0.074 0.000 2.277 151 D HA -0.064 nan 4.640 nan 0.000 0.208 151 D C -1.163 175.101 176.300 -0.060 0.000 0.962 151 D CA 2.348 56.348 54.000 -0.000 0.000 0.865 151 D CB 0.474 41.250 40.800 -0.041 0.000 0.939 151 D HN 0.355 8.771 8.370 0.077 0.000 0.510 152 R N -2.379 118.042 120.500 -0.133 0.000 2.502 152 R HA 0.319 nan 4.340 nan 0.000 0.298 152 R C -1.915 174.323 176.300 -0.103 0.000 1.018 152 R CA -0.687 55.244 56.100 -0.282 0.000 0.899 152 R CB 1.779 31.571 30.300 -0.848 0.000 1.181 152 R HN -0.201 7.996 8.270 -0.067 0.033 0.444 153 I N -1.622 118.974 120.570 0.043 0.000 2.994 153 I HA 0.602 nan 4.170 nan 0.000 0.306 153 I C -1.912 174.186 176.117 -0.032 0.000 1.195 153 I CA -4.278 57.008 61.300 -0.023 0.000 1.001 153 I CB 2.636 40.627 38.000 -0.016 0.000 1.244 153 I HN -0.122 8.180 8.210 0.153 0.000 0.437 154 P HA -0.075 nan 4.420 nan 0.000 0.226 154 P C -0.750 176.466 177.300 -0.140 0.000 1.153 154 P CA 2.125 65.092 63.100 -0.220 0.000 0.777 154 P CB -0.057 31.474 31.700 -0.282 0.000 0.794 155 H N -4.911 114.202 119.070 0.071 0.000 2.533 155 H HA 0.098 nan 4.556 nan 0.000 0.271 155 H C -0.594 174.781 175.328 0.078 0.000 1.000 155 H CA -0.550 55.533 56.048 0.058 0.000 1.149 155 H CB -0.682 29.107 29.762 0.045 0.000 1.375 155 H HN -0.092 7.872 8.280 -0.374 0.092 0.582 156 R N -0.239 120.346 120.500 0.143 0.000 2.357 156 R HA 0.176 nan 4.340 nan 0.000 0.296 156 R C -0.813 175.498 176.300 0.018 0.000 1.052 156 R CA -0.343 55.819 56.100 0.102 0.000 0.988 156 R CB 0.945 31.328 30.300 0.138 0.000 1.025 156 R HN -0.811 7.453 8.270 0.110 0.072 0.469 157 T N -1.568 112.951 114.554 -0.057 0.000 2.906 157 T HA 0.578 nan 4.350 nan 0.000 0.295 157 T C -1.966 172.592 174.700 -0.235 0.000 1.061 157 T CA -2.026 59.986 62.100 -0.147 0.000 1.000 157 T CB 2.756 71.531 68.868 -0.155 0.000 1.103 157 T HN -0.039 8.161 8.240 -0.068 0.000 0.486 158 L N 3.083 124.165 121.223 -0.234 0.000 2.315 158 L HA 0.637 nan 4.340 nan 0.000 0.283 158 L C -1.681 174.959 176.870 -0.384 0.000 1.089 158 L CA -0.856 53.837 54.840 -0.246 0.000 0.833 158 L CB 0.705 42.671 42.059 -0.155 0.000 1.170 158 L HN 0.080 8.183 8.230 -0.212 0.000 0.442 159 L N 6.997 127.883 121.223 -0.562 0.000 2.371 159 L HA 0.478 nan 4.340 nan 0.000 0.272 159 L C -1.367 175.165 176.870 -0.564 0.000 1.124 159 L CA -0.497 53.897 54.840 -0.742 0.000 0.816 159 L CB 0.749 42.039 42.059 -1.282 0.000 1.129 159 L HN 0.800 8.687 8.230 -0.571 0.000 0.448 160 M N 2.844 122.164 119.600 -0.467 0.000 2.263 160 M HA 0.385 nan 4.480 nan 0.000 0.295 160 M C -2.561 173.539 176.300 -0.332 0.000 1.028 160 M CA -0.610 54.356 55.300 -0.557 0.000 0.921 160 M CB 3.051 35.262 32.600 -0.648 0.000 1.601 160 M HN -0.267 7.765 8.290 -0.431 0.000 0.440 161 N N 4.073 122.644 118.700 -0.215 0.000 2.647 161 N HA 0.379 nan 4.740 nan 0.000 0.266 161 N C -2.115 173.355 175.510 -0.066 0.000 1.373 161 N CA -0.976 52.025 53.050 -0.082 0.000 0.807 161 N CB 4.243 42.676 38.487 -0.090 0.000 1.513 161 N HN 0.337 8.511 8.380 -0.343 0.000 0.505 162 E N 0.786 120.920 120.200 -0.110 0.000 2.366 162 E HA 0.071 nan 4.350 nan 0.000 0.266 162 E C -0.253 176.159 176.600 -0.314 0.000 1.051 162 E CA 0.201 56.413 56.400 -0.313 0.000 0.884 162 E CB 1.159 30.683 29.700 -0.293 0.000 1.006 162 E HN 0.207 8.520 8.360 -0.077 0.000 0.417 163 L N 3.769 124.770 121.223 -0.370 0.000 2.584 163 L HA -0.333 nan 4.340 nan 0.000 0.272 163 L C 0.202 176.881 176.870 -0.319 0.000 1.195 163 L CA 1.774 56.416 54.840 -0.331 0.000 0.920 163 L CB -0.168 41.691 42.059 -0.332 0.000 1.173 163 L HN 0.086 8.038 8.230 -0.463 0.000 0.489 164 G N 4.650 113.268 108.800 -0.303 0.000 2.284 164 G HA2 -0.280 nan 3.960 nan 0.000 0.216 164 G HA3 -0.280 nan 3.960 nan 0.000 0.216 164 G C -1.005 173.753 174.900 -0.236 0.000 1.009 164 G CA -0.172 44.770 45.100 -0.264 0.000 0.625 164 G HN -0.026 8.070 8.290 -0.322 0.000 0.501 165 V N 2.031 121.803 119.914 -0.236 0.000 2.406 165 V HA 0.484 nan 4.120 nan 0.000 0.272 165 V C -2.184 173.751 176.094 -0.265 0.000 1.043 165 V CA -3.392 58.806 62.300 -0.172 0.000 0.915 165 V CB 0.358 32.131 31.823 -0.082 0.000 0.988 165 V HN -0.180 7.693 8.190 -0.261 0.160 0.466 166 P HA 0.103 nan 4.420 nan 0.000 0.274 166 P C -0.891 176.244 177.300 -0.275 0.000 1.256 166 P CA -1.164 61.723 63.100 -0.355 0.000 0.795 166 P CB 0.918 32.522 31.700 -0.160 0.000 1.038 167 F N -1.058 118.894 119.950 0.004 0.000 2.652 167 F HA 0.101 nan 4.527 nan 0.000 0.352 167 F C -0.324 175.585 175.800 0.182 0.000 1.259 167 F CA -1.308 56.675 58.000 -0.029 0.000 1.249 167 F CB -1.839 37.112 39.000 -0.082 0.000 1.628 167 F HN 0.312 8.345 8.300 -0.446 0.000 0.654 168 H N -0.623 118.625 119.070 0.297 0.000 2.490 168 H HA 0.479 nan 4.556 nan 0.000 0.354 168 H C 0.571 176.078 175.328 0.299 0.000 1.365 168 H CA -2.093 54.084 56.048 0.216 0.000 1.413 168 H CB 1.274 31.083 29.762 0.079 0.000 1.631 168 H HN 0.258 8.380 8.280 -0.192 0.043 0.607 169 L N -2.239 119.116 121.223 0.220 0.000 2.633 169 L HA -0.121 nan 4.340 nan 0.000 0.235 169 L C 0.892 177.860 176.870 0.164 0.000 1.163 169 L CA 1.343 56.272 54.840 0.149 0.000 0.859 169 L CB -0.649 41.439 42.059 0.049 0.000 0.973 169 L HN 0.434 8.804 8.230 0.233 0.000 0.451 170 G N -3.175 105.728 108.800 0.171 0.000 3.337 170 G HA2 0.165 nan 3.960 nan 0.000 0.246 170 G HA3 0.165 nan 3.960 nan 0.000 0.246 170 G C -0.328 174.560 174.900 -0.021 0.000 1.131 170 G CA -0.400 44.789 45.100 0.148 0.000 0.773 170 G HN -0.635 7.554 8.290 0.007 0.105 0.544 171 T N 1.862 116.315 114.554 -0.169 0.000 2.907 171 T HA -0.044 nan 4.350 nan 0.000 0.298 171 T C -0.437 174.184 174.700 -0.132 0.000 1.017 171 T CA 0.961 62.942 62.100 -0.197 0.000 1.118 171 T CB 0.491 69.220 68.868 -0.232 0.000 0.948 171 T HN -0.695 7.426 8.240 -0.059 0.084 0.531 172 R N 5.049 125.444 120.500 -0.176 0.000 2.390 172 R HA 0.088 nan 4.340 nan 0.000 0.291 172 R C -0.904 175.227 176.300 -0.281 0.000 1.070 172 R CA -0.135 55.855 56.100 -0.183 0.000 1.014 172 R CB 1.051 31.242 30.300 -0.182 0.000 1.007 172 R HN 0.369 8.530 8.270 -0.181 0.000 0.466 173 Q N 4.353 124.012 119.800 -0.236 0.000 2.421 173 Q HA 0.100 nan 4.340 nan 0.000 0.242 173 Q C -0.131 175.723 176.000 -0.243 0.000 1.024 173 Q CA 0.220 55.853 55.803 -0.284 0.000 0.891 173 Q CB 0.271 28.898 28.738 -0.185 0.000 1.222 173 Q HN 0.306 8.484 8.270 -0.153 0.000 0.483 174 V N 3.225 122.956 119.914 -0.305 0.000 2.759 174 V HA -0.188 nan 4.120 nan 0.000 0.256 174 V C -0.998 174.931 176.094 -0.275 0.000 1.080 174 V CA 1.597 63.695 62.300 -0.337 0.000 1.101 174 V CB -0.238 31.269 31.823 -0.528 0.000 0.698 174 V HN 0.642 8.622 8.190 -0.350 0.000 0.477 175 c N -7.005 111.460 118.600 -0.225 0.000 3.034 175 c HA 0.144 nan 4.570 nan 0.000 0.336 175 c C -1.924 172.072 174.090 -0.157 0.000 1.304 175 c CA -2.370 53.855 56.329 -0.172 0.000 1.197 175 c CB 1.122 43.528 42.510 -0.173 0.000 1.373 175 c HN -0.817 7.237 8.230 -0.231 0.037 0.459 176 I N 0.966 121.451 120.570 -0.141 0.000 2.371 176 I HA 0.396 nan 4.170 nan 0.000 0.290 176 I C -0.830 175.168 176.117 -0.199 0.000 1.028 176 I CA -0.226 60.993 61.300 -0.135 0.000 1.345 176 I CB 0.346 38.277 38.000 -0.115 0.000 1.407 176 I HN 0.394 8.520 8.210 -0.140 0.000 0.501 177 A N 7.688 130.398 122.820 -0.183 0.000 2.547 177 A HA 0.404 nan 4.320 nan 0.000 0.298 177 A C -2.194 175.342 177.584 -0.081 0.000 1.062 177 A CA 0.201 52.097 52.037 -0.235 0.000 0.748 177 A CB 2.286 21.183 19.000 -0.172 0.000 1.288 177 A HN 0.684 8.642 8.150 -0.119 0.120 0.396 178 W N -1.978 119.294 121.300 -0.047 0.000 2.846 178 W HA 0.396 nan 4.660 nan 0.000 0.391 178 W C -1.501 175.007 176.519 -0.018 0.000 1.011 178 W CA -2.135 55.192 57.345 -0.030 0.000 1.832 178 W CB 1.120 30.562 29.460 -0.028 0.000 1.151 178 W HN 0.776 8.623 8.180 -0.554 0.000 0.582 179 S N 0.507 116.345 115.700 0.231 0.000 2.542 179 S HA 0.347 nan 4.470 nan 0.000 0.276 179 S C -2.395 172.214 174.600 0.014 0.000 1.148 179 S CA 0.441 58.755 58.200 0.191 0.000 0.886 179 S CB 1.471 64.852 63.200 0.301 0.000 1.109 179 S HN -0.768 7.470 8.310 -0.012 0.065 0.458 180 S N 4.027 119.735 115.700 0.013 0.000 2.672 180 S HA 0.867 nan 4.470 nan 0.000 0.271 180 S C -2.751 171.782 174.600 -0.113 0.000 1.171 180 S CA -0.725 57.461 58.200 -0.023 0.000 0.817 180 S CB 3.550 66.797 63.200 0.079 0.000 1.150 180 S HN 0.878 9.559 8.310 0.030 -0.352 0.478 181 S N -1.508 114.134 115.700 -0.097 0.000 2.560 181 S HA 0.233 nan 4.470 nan 0.000 0.283 181 S C -2.483 172.105 174.600 -0.020 0.000 1.141 181 S CA 0.738 58.822 58.200 -0.195 0.000 0.902 181 S CB 1.374 64.506 63.200 -0.113 0.000 1.104 181 S HN -0.160 8.142 8.310 -0.012 0.000 0.454 182 S N 5.129 120.841 115.700 0.020 0.000 2.569 182 S HA 0.951 nan 4.470 nan 0.000 0.280 182 S C -1.367 173.356 174.600 0.205 0.000 1.111 182 S CA -0.989 57.259 58.200 0.081 0.000 0.887 182 S CB 3.509 66.660 63.200 -0.082 0.000 1.095 182 S HN -0.029 8.265 8.310 -0.028 0.000 0.476 183 c N -0.502 118.263 118.600 0.275 0.000 3.306 183 c HA 0.633 nan 4.570 nan 0.000 0.335 183 c C -2.572 171.540 174.090 0.035 0.000 1.382 183 c CA -2.022 54.434 56.329 0.212 0.000 1.254 183 c CB 3.399 46.002 42.510 0.156 0.000 1.555 183 c HN 0.673 9.042 8.230 0.232 0.000 0.463 184 H N 0.770 119.670 119.070 -0.283 0.000 2.589 184 H HA 0.378 nan 4.556 nan 0.000 0.335 184 H C -0.389 174.868 175.328 -0.118 0.000 1.019 184 H CA -1.558 54.200 56.048 -0.485 0.000 1.213 184 H CB 3.093 32.127 29.762 -1.215 0.000 1.472 184 H HN 0.409 8.706 8.280 0.029 0.000 0.508 185 D N 4.842 125.196 120.400 -0.078 0.000 2.363 185 D HA -0.119 nan 4.640 nan 0.000 0.226 185 D C 0.899 177.341 176.300 0.235 0.000 1.020 185 D CA -0.592 53.501 54.000 0.154 0.000 0.892 185 D CB 0.212 41.156 40.800 0.240 0.000 0.900 185 D HN -0.194 8.069 8.370 -0.178 0.000 0.531 186 G N -0.042 108.878 108.800 0.201 0.000 2.659 186 G HA2 -0.390 nan 3.960 nan 0.000 0.202 186 G HA3 -0.390 nan 3.960 nan 0.000 0.202 186 G C 0.799 175.782 174.900 0.138 0.000 1.186 186 G CA 0.549 45.757 45.100 0.180 0.000 0.783 186 G HN -0.522 7.774 8.290 0.155 0.087 0.521 187 K N 2.691 123.063 120.400 -0.046 0.000 2.211 187 K HA 0.102 nan 4.320 nan 0.000 0.201 187 K C -0.424 176.033 176.600 -0.238 0.000 1.052 187 K CA 0.990 57.201 56.287 -0.126 0.000 0.973 187 K CB 1.171 33.542 32.500 -0.214 0.000 0.766 187 K HN -0.358 7.942 8.250 0.030 -0.032 0.466 188 A N -2.915 119.554 122.820 -0.584 0.000 2.564 188 A HA 0.335 nan 4.320 nan 0.000 0.291 188 A C -2.653 174.407 177.584 -0.875 0.000 1.102 188 A CA -0.654 50.983 52.037 -0.668 0.000 0.660 188 A CB 2.037 20.636 19.000 -0.669 0.000 1.283 188 A HN -0.182 8.004 8.150 -0.545 -0.363 0.430 189 W N -2.511 118.517 121.300 -0.454 0.000 2.313 189 W HA 0.477 nan 4.660 nan 0.000 0.328 189 W C -1.058 175.316 176.519 -0.242 0.000 1.197 189 W CA -0.213 56.970 57.345 -0.270 0.000 1.235 189 W CB 1.771 31.128 29.460 -0.171 0.000 1.158 189 W HN 0.113 8.260 8.180 -0.055 0.000 0.578 190 L N 1.076 122.357 121.223 0.097 0.000 2.362 190 L HA 0.772 nan 4.340 nan 0.000 0.275 190 L C -2.358 174.455 176.870 -0.096 0.000 0.998 190 L CA -1.088 53.854 54.840 0.170 0.000 0.820 190 L CB 3.468 45.686 42.059 0.265 0.000 1.270 190 L HN 0.648 8.952 8.230 0.123 0.000 0.415 191 H N 4.879 124.070 119.070 0.202 0.000 2.600 191 H HA 0.693 nan 4.556 nan 0.000 0.357 191 H C -1.972 173.349 175.328 -0.011 0.000 1.106 191 H CA -1.239 54.863 56.048 0.091 0.000 1.193 191 H CB 3.680 33.462 29.762 0.033 0.000 1.594 191 H HN 0.562 8.978 8.280 0.225 0.000 0.526 192 V N -0.866 119.047 119.914 -0.001 0.000 2.378 192 V HA 0.698 nan 4.120 nan 0.000 0.288 192 V C -2.012 173.943 176.094 -0.231 0.000 1.016 192 V CA -2.384 59.753 62.300 -0.273 0.000 0.840 192 V CB 0.474 32.145 31.823 -0.253 0.000 0.994 192 V HN 0.407 8.618 8.190 0.036 0.000 0.431 193 c N 7.741 126.159 118.600 -0.304 0.000 2.411 193 c HA 0.883 nan 4.570 nan 0.000 0.330 193 c C -1.174 172.689 174.090 -0.378 0.000 1.224 193 c CA -2.331 53.839 56.329 -0.265 0.000 1.770 193 c CB 1.743 44.126 42.510 -0.211 0.000 2.297 193 c HN 0.268 8.256 8.230 -0.405 0.000 0.507 194 I N 2.836 123.132 120.570 -0.457 0.000 2.466 194 I HA 0.627 nan 4.170 nan 0.000 0.289 194 I C -1.612 173.810 176.117 -1.157 0.000 1.026 194 I CA -0.733 60.150 61.300 -0.695 0.000 1.078 194 I CB 2.238 39.858 38.000 -0.633 0.000 1.249 194 I HN 0.465 8.440 8.210 -0.392 0.000 0.429 195 T N 4.543 118.501 114.554 -0.994 0.000 2.812 195 T HA 0.645 nan 4.350 nan 0.000 0.294 195 T C -1.639 172.762 174.700 -0.498 0.000 1.159 195 T CA -1.922 59.561 62.100 -1.027 0.000 1.008 195 T CB 3.416 72.006 68.868 -0.462 0.000 1.289 195 T HN 0.880 8.717 8.240 -0.673 0.000 0.514 196 G N -0.759 107.992 108.800 -0.083 0.000 2.343 196 G HA2 -0.218 nan 3.960 nan 0.000 0.562 196 G HA3 -0.218 nan 3.960 nan 0.000 0.562 196 G C -2.187 172.897 174.900 0.307 0.000 1.269 196 G CA -0.254 44.900 45.100 0.090 0.000 1.011 196 G HN -0.046 8.290 8.290 0.076 0.000 0.498 197 D N 1.785 122.282 120.400 0.161 0.000 2.382 197 D HA 0.090 nan 4.640 nan 0.000 0.245 197 D C 0.924 177.319 176.300 0.158 0.000 1.120 197 D CA -0.148 53.927 54.000 0.124 0.000 0.890 197 D CB 0.502 41.335 40.800 0.055 0.000 1.201 197 D HN 0.057 8.482 8.370 0.092 0.000 0.433 198 D N 3.791 124.230 120.400 0.065 0.000 2.103 198 D HA -0.312 nan 4.640 nan 0.000 0.190 198 D C 1.570 177.881 176.300 0.018 0.000 0.997 198 D CA 3.840 57.839 54.000 -0.002 0.000 0.833 198 D CB -0.102 40.641 40.800 -0.096 0.000 0.961 198 D HN 0.348 8.731 8.370 0.022 0.000 0.447 199 K N -4.372 116.030 120.400 0.003 0.000 2.439 199 K HA -0.149 nan 4.320 nan 0.000 0.197 199 K C 0.262 176.865 176.600 0.005 0.000 1.041 199 K CA 1.032 57.317 56.287 -0.003 0.000 0.970 199 K CB -0.450 32.046 32.500 -0.006 0.000 0.773 199 K HN 0.171 8.419 8.250 -0.003 0.000 0.479 200 N N -2.233 116.481 118.700 0.023 0.000 2.604 200 N HA 0.039 nan 4.740 nan 0.000 0.284 200 N C -1.893 173.627 175.510 0.018 0.000 1.716 200 N CA -0.893 52.164 53.050 0.012 0.000 0.859 200 N CB 0.959 39.452 38.487 0.011 0.000 1.403 200 N HN -0.568 7.641 8.380 0.047 0.200 0.501 201 A N -0.124 122.719 122.820 0.038 0.000 2.429 201 A HA 0.099 nan 4.320 nan 0.000 0.242 201 A C -1.739 175.796 177.584 -0.081 0.000 1.088 201 A CA 0.579 52.626 52.037 0.017 0.000 0.784 201 A CB 0.903 19.973 19.000 0.118 0.000 1.038 201 A HN -0.636 7.545 8.150 0.053 0.000 0.501 202 T N -1.485 112.978 114.554 -0.152 0.000 2.916 202 T HA 0.616 nan 4.350 nan 0.000 0.298 202 T C -2.418 172.141 174.700 -0.235 0.000 1.031 202 T CA -1.330 60.684 62.100 -0.143 0.000 0.993 202 T CB 2.415 71.230 68.868 -0.088 0.000 1.045 202 T HN 0.544 8.655 8.240 -0.216 0.000 0.454 203 A N 6.849 129.556 122.820 -0.189 0.000 2.271 203 A HA 0.911 nan 4.320 nan 0.000 0.317 203 A C -1.910 175.479 177.584 -0.325 0.000 1.245 203 A CA -2.450 49.406 52.037 -0.301 0.000 0.857 203 A CB 1.729 20.567 19.000 -0.271 0.000 1.175 203 A HN 0.688 8.781 8.150 -0.095 0.000 0.512 204 S N 3.767 119.224 115.700 -0.405 0.000 2.509 204 S HA 0.701 nan 4.470 nan 0.000 0.297 204 S C -1.012 173.293 174.600 -0.493 0.000 1.118 204 S CA -1.752 56.287 58.200 -0.269 0.000 1.074 204 S CB 1.712 64.830 63.200 -0.135 0.000 1.038 204 S HN 0.593 8.662 8.310 -0.401 0.000 0.498 205 F N 3.530 123.497 119.950 0.029 0.000 2.308 205 F HA 0.422 nan 4.527 nan 0.000 0.370 205 F C -1.176 174.682 175.800 0.096 0.000 1.100 205 F CA -1.080 56.956 58.000 0.060 0.000 1.108 205 F CB 0.582 39.608 39.000 0.043 0.000 1.293 205 F HN 0.519 8.870 8.300 0.253 0.101 0.478 206 I N 4.114 124.802 120.570 0.197 0.000 2.315 206 I HA 0.352 nan 4.170 nan 0.000 0.291 206 I C -2.180 174.128 176.117 0.319 0.000 1.006 206 I CA -0.337 61.093 61.300 0.216 0.000 1.265 206 I CB 1.252 39.345 38.000 0.156 0.000 1.387 206 I HN 0.239 8.533 8.210 0.140 0.000 0.475 207 Y N 9.205 129.594 120.300 0.149 0.000 2.373 207 Y HA 0.215 nan 4.550 nan 0.000 0.336 207 Y C -1.724 174.244 175.900 0.114 0.000 0.979 207 Y CA -1.278 56.899 58.100 0.129 0.000 1.080 207 Y CB 3.324 41.847 38.460 0.105 0.000 1.190 207 Y HN 0.548 9.013 8.280 0.309 0.000 0.446 208 D N 8.462 128.658 120.400 -0.340 0.000 2.772 208 D HA -0.446 nan 4.640 nan 0.000 0.233 208 D C -0.314 175.956 176.300 -0.051 0.000 1.143 208 D CA 1.271 55.098 54.000 -0.288 0.000 0.700 208 D CB -0.451 40.061 40.800 -0.480 0.000 1.076 208 D HN 0.449 8.591 8.370 -0.381 0.000 0.430 209 G N -4.980 103.838 108.800 0.030 0.000 2.420 209 G HA2 -0.456 nan 3.960 nan 0.000 0.221 209 G HA3 -0.456 nan 3.960 nan 0.000 0.221 209 G C -0.471 174.459 174.900 0.050 0.000 1.117 209 G CA -0.191 44.929 45.100 0.033 0.000 0.657 209 G HN 0.459 8.775 8.290 0.076 0.020 0.512 210 R N 1.425 121.969 120.500 0.073 0.000 2.582 210 R HA 0.042 nan 4.340 nan 0.000 0.271 210 R C -1.203 175.163 176.300 0.110 0.000 1.078 210 R CA -1.525 54.625 56.100 0.084 0.000 1.127 210 R CB 1.019 31.379 30.300 0.099 0.000 1.038 210 R HN -0.506 7.728 8.270 0.073 0.080 0.500 211 L N 2.140 123.416 121.223 0.089 0.000 2.283 211 L HA 0.124 nan 4.340 nan 0.000 0.287 211 L C -0.620 176.321 176.870 0.117 0.000 1.073 211 L CA 0.287 55.185 54.840 0.097 0.000 0.822 211 L CB 0.460 42.555 42.059 0.060 0.000 1.186 211 L HN -0.167 8.105 8.230 0.069 0.000 0.436 212 V N 6.291 126.299 119.914 0.158 0.000 3.644 212 V HA 0.241 nan 4.120 nan 0.000 0.267 212 V C -1.130 175.033 176.094 0.114 0.000 1.277 212 V CA 0.179 62.557 62.300 0.131 0.000 1.096 212 V CB 0.841 32.746 31.823 0.137 0.000 0.828 212 V HN 1.095 9.405 8.190 0.199 0.000 0.446 213 D N -2.701 117.805 120.400 0.177 0.000 2.725 213 D HA 0.266 nan 4.640 nan 0.000 0.292 213 D C -2.753 173.743 176.300 0.327 0.000 1.288 213 D CA -0.133 53.971 54.000 0.175 0.000 0.784 213 D CB 3.953 44.784 40.800 0.053 0.000 1.308 213 D HN -0.651 7.854 8.370 0.225 0.000 0.429 214 S N -1.437 114.443 115.700 0.299 0.000 2.611 214 S HA 0.866 nan 4.470 nan 0.000 0.268 214 S C -1.879 172.887 174.600 0.276 0.000 1.156 214 S CA -0.794 57.602 58.200 0.327 0.000 0.817 214 S CB 3.391 66.673 63.200 0.138 0.000 1.122 214 S HN 0.134 8.550 8.310 0.177 0.000 0.466 215 I N -0.199 120.527 120.570 0.260 0.000 2.842 215 I HA 0.307 nan 4.170 nan 0.000 0.297 215 I C -1.717 174.471 176.117 0.118 0.000 1.380 215 I CA -0.426 61.002 61.300 0.212 0.000 1.018 215 I CB 4.301 42.498 38.000 0.328 0.000 1.311 215 I HN 0.163 8.501 8.210 0.213 0.000 0.439 216 G N 2.902 111.758 108.800 0.094 0.000 2.491 216 G HA2 0.468 nan 3.960 nan 0.000 0.327 216 G HA3 0.468 nan 3.960 nan 0.000 0.327 216 G C -1.626 173.260 174.900 -0.023 0.000 1.189 216 G CA -1.543 43.571 45.100 0.023 0.000 0.956 216 G HN 0.034 8.404 8.290 0.134 0.000 0.491 217 S N 1.478 117.110 115.700 -0.113 0.000 2.571 217 S HA -0.180 nan 4.470 nan 0.000 0.297 217 S C 2.087 176.602 174.600 -0.143 0.000 1.234 217 S CA 0.636 58.684 58.200 -0.254 0.000 1.120 217 S CB 0.446 63.554 63.200 -0.154 0.000 0.923 217 S HN -0.214 8.050 8.310 -0.077 0.000 0.504 218 W N 4.947 126.267 121.300 0.034 0.000 2.584 218 W HA 0.105 nan 4.660 nan 0.000 0.264 218 W C -0.768 175.763 176.519 0.020 0.000 1.264 218 W CA 0.188 57.547 57.345 0.024 0.000 1.306 218 W CB -0.373 29.099 29.460 0.020 0.000 1.110 218 W HN -0.123 7.565 8.180 -0.839 -0.012 0.606 219 S N -1.324 114.418 115.700 0.071 0.000 2.663 219 S HA 0.156 nan 4.470 nan 0.000 0.243 219 S C -1.019 173.589 174.600 0.014 0.000 1.009 219 S CA -0.771 57.491 58.200 0.103 0.000 0.988 219 S CB 0.704 63.993 63.200 0.149 0.000 0.896 219 S HN -0.519 8.113 8.310 -0.235 -0.463 0.502 220 Q N -3.463 116.324 119.800 -0.023 0.000 2.437 220 Q HA -0.377 nan 4.340 nan 0.000 0.274 220 Q C -1.684 174.300 176.000 -0.027 0.000 1.165 220 Q CA 1.200 56.990 55.803 -0.021 0.000 0.925 220 Q CB -2.018 26.722 28.738 0.003 0.000 1.327 220 Q HN 0.394 8.585 8.270 -0.032 0.060 0.505 221 N N -1.819 116.853 118.700 -0.047 0.000 2.969 221 N HA 0.162 nan 4.740 nan 0.000 0.230 221 N C -2.039 173.441 175.510 -0.051 0.000 1.397 221 N CA 0.092 53.117 53.050 -0.041 0.000 0.762 221 N CB 1.124 39.595 38.487 -0.027 0.000 1.495 221 N HN -0.204 8.413 8.380 -0.079 -0.284 0.583 222 I N 0.546 121.088 120.570 -0.045 0.000 6.382 222 I HA -0.556 nan 4.170 nan 0.000 0.126 222 I C -0.961 175.165 176.117 0.014 0.000 1.458 222 I CA 1.076 62.361 61.300 -0.025 0.000 2.495 222 I CB -1.607 36.325 38.000 -0.114 0.000 2.764 222 I HN -0.109 7.979 8.210 -0.037 0.100 0.289 223 L N 6.831 128.070 121.223 0.028 0.000 2.499 223 L HA 0.023 nan 4.340 nan 0.000 0.273 223 L C -0.998 175.928 176.870 0.092 0.000 1.195 223 L CA 1.391 56.162 54.840 -0.116 0.000 0.882 223 L CB 0.795 42.701 42.059 -0.256 0.000 1.133 223 L HN 0.072 8.361 8.230 0.098 0.000 0.483 224 R N 3.676 124.205 120.500 0.048 0.000 2.799 224 R HA 0.742 nan 4.340 nan 0.000 0.270 224 R C -2.321 174.022 176.300 0.072 0.000 1.010 224 R CA -1.677 54.498 56.100 0.125 0.000 0.916 224 R CB 4.384 34.758 30.300 0.124 0.000 1.228 224 R HN 0.491 8.750 8.270 -0.017 0.000 0.469 225 T N -2.034 112.563 114.554 0.071 0.000 2.696 225 T HA 0.533 nan 4.350 nan 0.000 0.291 225 T C -0.211 174.507 174.700 0.029 0.000 1.095 225 T CA -2.016 60.110 62.100 0.042 0.000 1.026 225 T CB 2.246 71.123 68.868 0.015 0.000 1.390 225 T HN -0.092 8.205 8.240 0.095 0.000 0.513 226 Q N 1.694 121.492 119.800 -0.005 0.000 2.105 226 Q HA -0.438 nan 4.340 nan 0.000 0.217 226 Q C 1.152 177.132 176.000 -0.032 0.000 1.029 226 Q CA 3.652 59.438 55.803 -0.028 0.000 0.899 226 Q CB 0.347 29.042 28.738 -0.071 0.000 1.000 226 Q HN 0.393 8.661 8.270 -0.003 0.000 0.414 227 E N -6.595 113.530 120.200 -0.125 0.000 2.957 227 E HA -0.373 nan 4.350 nan 0.000 0.287 227 E C -1.862 174.518 176.600 -0.366 0.000 0.976 227 E CA 1.190 57.501 56.400 -0.148 0.000 0.907 227 E CB -1.883 27.915 29.700 0.163 0.000 1.456 227 E HN 0.015 8.280 8.360 -0.158 0.000 0.421 228 S N -5.536 109.792 115.700 -0.619 0.000 2.636 228 S HA 0.135 nan 4.470 nan 0.000 0.266 228 S C -1.930 172.419 174.600 -0.418 0.000 1.147 228 S CA -0.896 57.008 58.200 -0.494 0.000 0.815 228 S CB 2.466 65.738 63.200 0.121 0.000 1.119 228 S HN -0.906 7.058 8.310 -0.512 0.039 0.470 229 E N -0.049 120.116 120.200 -0.059 0.000 2.502 229 E HA -0.194 nan 4.350 nan 0.000 0.261 229 E C -0.299 176.318 176.600 0.028 0.000 0.974 229 E CA 0.543 56.980 56.400 0.062 0.000 0.936 229 E CB 0.678 30.515 29.700 0.230 0.000 0.926 229 E HN 0.318 8.766 8.360 0.147 0.000 0.459 230 c N 1.653 120.275 118.600 0.036 0.000 2.365 230 c HA 0.831 nan 4.570 nan 0.000 0.374 230 c C -0.714 173.403 174.090 0.045 0.000 1.318 230 c CA -2.712 53.630 56.329 0.023 0.000 2.239 230 c CB 1.105 43.636 42.510 0.034 0.000 2.144 230 c HN -0.357 7.914 8.230 0.067 0.000 0.581 231 V N -3.395 116.534 119.914 0.025 0.000 3.049 231 V HA 0.531 nan 4.120 nan 0.000 0.309 231 V C -2.663 173.490 176.094 0.098 0.000 1.148 231 V CA -1.230 61.093 62.300 0.039 0.000 0.990 231 V CB 4.061 35.804 31.823 -0.134 0.000 1.039 231 V HN -0.126 8.066 8.190 0.003 0.000 0.430 232 c N 3.244 121.979 118.600 0.226 0.000 2.482 232 c HA 0.847 nan 4.570 nan 0.000 0.317 232 c C -1.370 172.912 174.090 0.320 0.000 1.197 232 c CA -1.828 54.630 56.329 0.215 0.000 1.432 232 c CB 1.781 44.403 42.510 0.186 0.000 2.062 232 c HN 0.394 8.849 8.230 0.374 0.000 0.471 233 I N 1.633 122.335 120.570 0.221 0.000 2.478 233 I HA 0.191 nan 4.170 nan 0.000 0.287 233 I C -0.667 175.519 176.117 0.115 0.000 1.042 233 I CA -0.832 60.629 61.300 0.268 0.000 1.067 233 I CB 2.056 40.233 38.000 0.295 0.000 1.233 233 I HN 0.481 8.779 8.210 0.146 0.000 0.431 234 N N 6.311 125.056 118.700 0.075 0.000 2.741 234 N HA -0.432 nan 4.740 nan 0.000 0.251 234 N C -0.329 174.952 175.510 -0.382 0.000 1.112 234 N CA 1.908 54.931 53.050 -0.045 0.000 0.750 234 N CB -1.106 37.396 38.487 0.024 0.000 1.119 234 N HN 1.257 9.716 8.380 0.132 0.000 0.561 235 G N -5.670 102.781 108.800 -0.582 0.000 2.436 235 G HA2 -0.283 nan 3.960 nan 0.000 0.204 235 G HA3 -0.283 nan 3.960 nan 0.000 0.204 235 G C -1.424 173.255 174.900 -0.369 0.000 1.026 235 G CA -0.013 44.485 45.100 -1.002 0.000 0.658 235 G HN 0.070 8.151 8.290 -0.278 0.042 0.499 236 T N 5.222 119.688 114.554 -0.147 0.000 2.780 236 T HA 0.433 nan 4.350 nan 0.000 0.294 236 T C -0.944 173.784 174.700 0.047 0.000 0.949 236 T CA 0.436 62.531 62.100 -0.008 0.000 1.074 236 T CB 0.470 69.404 68.868 0.110 0.000 0.910 236 T HN -0.639 7.479 8.240 -0.122 0.049 0.501 237 c N 6.411 125.032 118.600 0.035 0.000 2.358 237 c HA 0.927 nan 4.570 nan 0.000 0.354 237 c C -1.174 172.915 174.090 -0.003 0.000 1.183 237 c CA -1.311 55.043 56.329 0.042 0.000 2.150 237 c CB 2.200 44.741 42.510 0.051 0.000 2.361 237 c HN 0.816 8.944 8.230 0.007 0.106 0.535 238 T N 2.443 116.960 114.554 -0.063 0.000 2.921 238 T HA 0.664 nan 4.350 nan 0.000 0.297 238 T C -2.566 172.037 174.700 -0.161 0.000 1.013 238 T CA -0.696 61.260 62.100 -0.239 0.000 0.990 238 T CB 2.591 71.232 68.868 -0.378 0.000 1.023 238 T HN 0.168 8.392 8.240 -0.028 0.000 0.447 239 V N 7.056 126.878 119.914 -0.153 0.000 3.001 239 V HA 0.955 nan 4.120 nan 0.000 0.314 239 V C -2.786 173.260 176.094 -0.080 0.000 1.099 239 V CA -2.732 59.533 62.300 -0.059 0.000 0.989 239 V CB 4.447 36.300 31.823 0.049 0.000 1.040 239 V HN 0.576 8.630 8.190 -0.226 0.000 0.434 240 V N 1.066 120.958 119.914 -0.037 0.000 2.680 240 V HA 0.934 nan 4.120 nan 0.000 0.309 240 V C -2.298 173.828 176.094 0.053 0.000 1.052 240 V CA -2.666 59.623 62.300 -0.018 0.000 0.908 240 V CB 2.491 34.291 31.823 -0.038 0.000 1.001 240 V HN 0.194 8.372 8.190 -0.021 0.000 0.431 241 M N 3.935 123.614 119.600 0.131 0.000 2.575 241 M HA 0.760 nan 4.480 nan 0.000 0.284 241 M C -1.986 174.484 176.300 0.283 0.000 1.253 241 M CA -0.887 54.532 55.300 0.197 0.000 0.861 241 M CB 5.158 37.934 32.600 0.293 0.000 1.733 241 M HN 0.861 9.233 8.290 0.137 0.000 0.462 242 T N -2.336 112.343 114.554 0.208 0.000 2.900 242 T HA 0.718 nan 4.350 nan 0.000 0.303 242 T C -2.719 172.041 174.700 0.100 0.000 1.142 242 T CA -1.499 60.739 62.100 0.230 0.000 1.007 242 T CB 3.465 72.373 68.868 0.067 0.000 1.156 242 T HN 0.614 8.927 8.240 0.121 0.000 0.490 243 D N 2.046 122.525 120.400 0.131 0.000 2.964 243 D HA 0.868 nan 4.640 nan 0.000 0.234 243 D C -1.205 175.129 176.300 0.056 0.000 1.223 243 D CA -1.103 52.851 54.000 -0.077 0.000 0.889 243 D CB 3.664 44.159 40.800 -0.510 0.000 1.609 243 D HN 0.503 8.971 8.370 0.343 0.107 0.523 244 G N 3.954 112.767 108.800 0.021 0.000 2.332 244 G HA2 -0.063 nan 3.960 nan 0.000 0.265 244 G HA3 -0.063 nan 3.960 nan 0.000 0.265 244 G C -2.456 172.457 174.900 0.022 0.000 1.329 244 G CA 0.194 45.316 45.100 0.037 0.000 0.949 244 G HN 0.505 8.791 8.290 -0.007 0.000 0.476 245 S N -0.393 115.312 115.700 0.008 0.000 2.592 245 S HA 0.128 nan 4.470 nan 0.000 0.271 245 S C 1.114 175.760 174.600 0.077 0.000 1.326 245 S CA -2.030 56.158 58.200 -0.020 0.000 1.024 245 S CB 0.814 63.935 63.200 -0.131 0.000 0.921 245 S HN -0.277 8.030 8.310 -0.005 0.000 0.527 246 A N 5.153 127.990 122.820 0.027 0.000 1.843 246 A HA 0.012 nan 4.320 nan 0.000 0.213 246 A C -0.323 177.219 177.584 -0.070 0.000 1.202 246 A CA 2.297 54.382 52.037 0.080 0.000 0.607 246 A CB 0.384 19.408 19.000 0.039 0.000 0.847 246 A HN 0.588 8.727 8.150 -0.019 0.000 0.445 247 S N -1.573 114.031 115.700 -0.160 0.000 2.399 247 S HA 0.175 nan 4.470 nan 0.000 0.215 247 S C -1.731 172.635 174.600 -0.390 0.000 1.456 247 S CA -0.377 57.691 58.200 -0.220 0.000 1.199 247 S CB 0.169 63.360 63.200 -0.014 0.000 1.063 247 S HN -0.066 8.178 8.310 -0.110 0.000 0.476 248 G N 0.694 108.942 108.800 -0.920 0.000 2.313 248 G HA2 -0.082 nan 3.960 nan 0.000 0.296 248 G HA3 -0.082 nan 3.960 nan 0.000 0.296 248 G C -3.243 170.852 174.900 -1.341 0.000 1.356 248 G CA -0.096 44.262 45.100 -1.236 0.000 0.833 248 G HN -0.841 6.836 8.290 -1.021 0.000 0.552 249 R N -2.010 117.793 120.500 -1.162 0.000 2.694 249 R HA 0.081 nan 4.340 nan 0.000 0.268 249 R C -1.183 175.022 176.300 -0.157 0.000 1.061 249 R CA 0.788 56.538 56.100 -0.584 0.000 1.133 249 R CB 0.729 30.836 30.300 -0.322 0.000 1.020 249 R HN 0.252 7.947 8.270 -0.959 0.000 0.475 250 A N 2.547 125.381 122.820 0.023 0.000 2.564 250 A HA 0.337 nan 4.320 nan 0.000 0.288 250 A C -2.225 175.403 177.584 0.074 0.000 1.164 250 A CA -1.461 50.606 52.037 0.051 0.000 0.712 250 A CB 3.177 22.206 19.000 0.049 0.000 1.303 250 A HN 0.061 8.254 8.150 0.072 0.000 0.418 251 D N -0.488 119.997 120.400 0.141 0.000 2.392 251 D HA 0.233 nan 4.640 nan 0.000 0.228 251 D C -1.085 175.370 176.300 0.260 0.000 1.074 251 D CA -0.995 53.114 54.000 0.183 0.000 0.838 251 D CB 1.637 42.603 40.800 0.276 0.000 1.067 251 D HN 0.129 8.597 8.370 0.164 0.000 0.511 252 T N 6.282 120.903 114.554 0.113 0.000 2.797 252 T HA 0.680 nan 4.350 nan 0.000 0.279 252 T C -1.457 173.244 174.700 0.001 0.000 0.991 252 T CA -0.648 61.514 62.100 0.102 0.000 0.979 252 T CB 1.344 70.232 68.868 0.033 0.000 0.943 252 T HN 0.317 8.591 8.240 0.056 0.000 0.444 253 R N 2.816 123.312 120.500 -0.008 0.000 2.808 253 R HA 0.970 nan 4.340 nan 0.000 0.272 253 R C -2.083 174.195 176.300 -0.038 0.000 0.995 253 R CA -1.835 54.181 56.100 -0.138 0.000 0.917 253 R CB 4.538 34.553 30.300 -0.475 0.000 1.217 253 R HN 0.853 9.206 8.270 0.138 0.000 0.471 254 I N 1.498 122.029 120.570 -0.066 0.000 2.410 254 I HA 0.559 nan 4.170 nan 0.000 0.286 254 I C -1.472 174.524 176.117 -0.202 0.000 1.009 254 I CA -0.819 60.394 61.300 -0.146 0.000 1.111 254 I CB 1.320 39.219 38.000 -0.169 0.000 1.262 254 I HN 0.697 8.876 8.210 -0.052 0.000 0.443 255 L N 5.018 126.110 121.223 -0.218 0.000 2.322 255 L HA 0.685 nan 4.340 nan 0.000 0.279 255 L C -1.205 175.440 176.870 -0.375 0.000 1.036 255 L CA -1.121 53.622 54.840 -0.161 0.000 0.807 255 L CB 1.091 43.113 42.059 -0.062 0.000 1.226 255 L HN 0.619 8.736 8.230 -0.188 0.000 0.433 256 F N 1.345 121.232 119.950 -0.105 0.000 2.458 256 F HA 0.747 nan 4.527 nan 0.000 0.336 256 F C -1.215 174.501 175.800 -0.141 0.000 1.114 256 F CA -0.744 57.194 58.000 -0.104 0.000 0.987 256 F CB 2.226 41.113 39.000 -0.189 0.000 1.130 256 F HN 0.311 8.717 8.300 0.178 0.000 0.458 257 I N 1.703 122.280 120.570 0.013 0.000 2.569 257 I HA 0.652 nan 4.170 nan 0.000 0.290 257 I C -2.551 173.512 176.117 -0.089 0.000 1.088 257 I CA -1.316 59.934 61.300 -0.084 0.000 1.047 257 I CB 3.795 41.696 38.000 -0.165 0.000 1.237 257 I HN 1.023 9.256 8.210 0.038 0.000 0.421 258 E N 8.510 128.634 120.200 -0.127 0.000 2.145 258 E HA 0.329 nan 4.350 nan 0.000 0.270 258 E C -0.588 175.851 176.600 -0.269 0.000 0.906 258 E CA -1.290 55.009 56.400 -0.168 0.000 0.761 258 E CB 1.608 31.241 29.700 -0.112 0.000 1.116 258 E HN 0.425 8.707 8.360 -0.130 0.000 0.408 259 E N 5.393 125.295 120.200 -0.497 0.000 2.269 259 E HA -0.358 nan 4.350 nan 0.000 0.223 259 E C -0.864 175.315 176.600 -0.702 0.000 1.244 259 E CA 0.896 56.700 56.400 -0.993 0.000 0.713 259 E CB -1.994 27.443 29.700 -0.438 0.000 1.178 259 E HN 0.975 9.065 8.360 -0.450 0.000 0.370 260 G N -6.112 102.425 108.800 -0.437 0.000 2.253 260 G HA2 -0.400 nan 3.960 nan 0.000 0.251 260 G HA3 -0.400 nan 3.960 nan 0.000 0.251 260 G C -0.718 174.143 174.900 -0.065 0.000 0.998 260 G CA 0.118 45.194 45.100 -0.040 0.000 0.621 260 G HN 0.230 8.252 8.290 -0.447 0.000 0.524 261 K N 1.779 122.092 120.400 -0.146 0.000 2.248 261 K HA 0.178 nan 4.320 nan 0.000 0.281 261 K C -0.674 175.792 176.600 -0.224 0.000 1.054 261 K CA -2.125 54.068 56.287 -0.157 0.000 0.903 261 K CB 0.580 33.016 32.500 -0.106 0.000 1.077 261 K HN -0.360 7.585 8.250 -0.185 0.194 0.474 262 I N 7.902 128.278 120.570 -0.323 0.000 2.680 262 I HA -0.254 nan 4.170 nan 0.000 0.286 262 I C 0.442 176.451 176.117 -0.180 0.000 1.144 262 I CA 1.763 62.871 61.300 -0.320 0.000 1.370 262 I CB -0.957 36.812 38.000 -0.385 0.000 1.420 262 I HN -0.135 8.130 8.210 -0.342 -0.260 0.540 263 V N 3.364 123.201 119.914 -0.127 0.000 3.650 263 V HA 0.237 nan 4.120 nan 0.000 0.271 263 V C -0.481 175.538 176.094 -0.125 0.000 1.281 263 V CA -0.035 62.202 62.300 -0.105 0.000 1.120 263 V CB 0.572 32.353 31.823 -0.070 0.000 0.856 263 V HN 0.710 8.834 8.190 -0.111 0.000 0.443 264 H N -1.053 117.882 119.070 -0.225 0.000 3.043 264 H HA 0.261 nan 4.556 nan 0.000 0.317 264 H C -2.754 172.513 175.328 -0.101 0.000 1.321 264 H CA 0.205 56.073 56.048 -0.299 0.000 1.243 264 H CB 3.923 33.193 29.762 -0.819 0.000 1.924 264 H HN -0.644 7.608 8.280 -0.047 0.000 0.527 265 I N 3.022 123.620 120.570 0.048 0.000 2.533 265 I HA 0.339 nan 4.170 nan 0.000 0.290 265 I C -1.415 174.840 176.117 0.231 0.000 1.056 265 I CA -0.646 60.707 61.300 0.088 0.000 1.057 265 I CB 3.756 41.688 38.000 -0.114 0.000 1.240 265 I HN 0.226 8.234 8.210 -0.336 0.000 0.423 266 S N 6.036 121.879 115.700 0.238 0.000 2.561 266 S HA 0.536 nan 4.470 nan 0.000 0.303 266 S C -2.431 172.203 174.600 0.057 0.000 1.110 266 S CA -2.799 55.525 58.200 0.207 0.000 1.034 266 S CB 1.867 65.265 63.200 0.329 0.000 1.010 266 S HN 0.651 8.967 8.310 0.190 0.108 0.482 267 P HA 0.367 nan 4.420 nan 0.000 0.279 267 P C -1.556 175.745 177.300 0.002 0.000 1.252 267 P CA -0.850 62.224 63.100 -0.043 0.000 0.811 267 P CB 0.716 32.375 31.700 -0.068 0.000 1.035 268 L N -0.001 121.218 121.223 -0.007 0.000 2.499 268 L HA -0.096 nan 4.340 nan 0.000 0.273 268 L C -0.919 175.964 176.870 0.022 0.000 1.195 268 L CA 1.561 56.408 54.840 0.012 0.000 0.882 268 L CB 0.563 42.629 42.059 0.012 0.000 1.133 268 L HN -0.407 7.806 8.230 -0.027 0.000 0.483 269 A N 5.686 128.523 122.820 0.028 0.000 2.479 269 A HA 0.437 nan 4.320 nan 0.000 0.296 269 A C -1.296 176.308 177.584 0.032 0.000 1.121 269 A CA -0.992 51.063 52.037 0.031 0.000 0.743 269 A CB 2.089 21.107 19.000 0.030 0.000 1.323 269 A HN -0.021 8.144 8.150 0.026 0.000 0.415 270 G N -0.453 108.369 108.800 0.036 0.000 2.548 270 G HA2 -0.230 nan 3.960 nan 0.000 0.208 270 G HA3 -0.230 nan 3.960 nan 0.000 0.208 270 G C -0.550 174.386 174.900 0.059 0.000 1.308 270 G CA 0.029 45.153 45.100 0.039 0.000 0.924 270 G HN -0.064 8.247 8.290 0.036 0.000 0.540 271 S N 2.763 118.506 115.700 0.073 0.000 2.428 271 S HA -0.151 nan 4.470 nan 0.000 0.230 271 S C 0.801 175.527 174.600 0.210 0.000 1.014 271 S CA 0.954 59.230 58.200 0.126 0.000 0.957 271 S CB 0.481 63.772 63.200 0.152 0.000 0.784 271 S HN -0.020 8.325 8.310 0.058 0.000 0.499 272 A N 1.315 124.213 122.820 0.130 0.000 2.520 272 A HA -0.131 nan 4.320 nan 0.000 0.245 272 A C -0.362 177.355 177.584 0.222 0.000 1.072 272 A CA 0.645 52.752 52.037 0.116 0.000 0.761 272 A CB 0.141 19.061 19.000 -0.134 0.000 1.004 272 A HN -0.404 7.778 8.150 0.053 0.000 0.499 273 Q N 2.059 122.078 119.800 0.365 0.000 2.302 273 Q HA -0.107 nan 4.340 nan 0.000 0.202 273 Q C 0.176 176.500 176.000 0.540 0.000 0.936 273 Q CA 1.129 57.178 55.803 0.409 0.000 0.886 273 Q CB 1.540 30.483 28.738 0.342 0.000 0.986 273 Q HN 0.012 8.610 8.270 0.546 0.000 0.487 274 H N -3.872 115.381 119.070 0.304 0.000 3.235 274 H HA 0.125 nan 4.556 nan 0.000 0.324 274 H C -2.038 173.374 175.328 0.140 0.000 1.059 274 H CA 0.014 56.211 56.048 0.249 0.000 1.497 274 H CB 2.115 32.098 29.762 0.367 0.000 1.986 274 H HN -0.616 7.888 8.280 0.373 0.000 0.444 275 V N 7.566 127.389 119.914 -0.152 0.000 2.398 275 V HA 0.321 nan 4.120 nan 0.000 0.286 275 V C -1.867 174.131 176.094 -0.160 0.000 1.026 275 V CA -1.277 60.959 62.300 -0.107 0.000 0.868 275 V CB 0.935 32.719 31.823 -0.066 0.000 0.982 275 V HN 0.387 8.437 8.190 -0.232 0.000 0.443 276 E N 4.843 125.008 120.200 -0.060 0.000 2.356 276 E HA 0.273 nan 4.350 nan 0.000 0.275 276 E C -1.595 175.010 176.600 0.008 0.000 0.904 276 E CA -2.219 54.171 56.400 -0.016 0.000 0.757 276 E CB 4.530 34.256 29.700 0.043 0.000 1.232 276 E HN -0.010 8.338 8.360 -0.019 0.000 0.442 277 E N 0.930 121.145 120.200 0.024 0.000 2.160 277 E HA -0.438 nan 4.350 nan 0.000 0.180 277 E C -1.031 175.579 176.600 0.017 0.000 1.452 277 E CA 0.691 57.105 56.400 0.023 0.000 0.683 277 E CB -1.774 27.920 29.700 -0.010 0.000 1.072 277 E HN 0.510 8.894 8.360 0.040 0.000 0.332 278 c N -0.852 117.757 118.600 0.014 0.000 2.662 278 c HA -0.012 nan 4.570 nan 0.000 0.420 278 c C 0.387 174.506 174.090 0.049 0.000 1.314 278 c CA 0.673 57.014 56.329 0.020 0.000 1.963 278 c CB 0.167 42.674 42.510 -0.005 0.000 2.686 278 c HN 0.151 8.387 8.230 0.009 0.000 0.609 279 S N 3.191 118.946 115.700 0.093 0.000 2.528 279 S HA 0.446 nan 4.470 nan 0.000 0.303 279 S C -1.342 173.351 174.600 0.155 0.000 1.123 279 S CA -0.506 57.793 58.200 0.164 0.000 1.138 279 S CB 0.183 63.532 63.200 0.247 0.000 0.984 279 S HN 0.210 8.574 8.310 0.091 0.000 0.474 280 c N 6.523 125.175 118.600 0.086 0.000 2.349 280 c HA 0.792 nan 4.570 nan 0.000 0.361 280 c C -1.138 172.979 174.090 0.045 0.000 1.189 280 c CA -1.237 55.081 56.329 -0.019 0.000 2.155 280 c CB 2.113 44.578 42.510 -0.075 0.000 2.336 280 c HN 0.346 8.627 8.230 0.085 0.000 0.540 281 Y N -1.951 118.300 120.300 -0.081 0.000 2.558 281 Y HA 0.383 nan 4.550 nan 0.000 0.333 281 Y C -3.420 172.343 175.900 -0.229 0.000 1.125 281 Y CA -3.451 54.543 58.100 -0.178 0.000 1.039 281 Y CB -0.238 38.130 38.460 -0.153 0.000 1.331 281 Y HN 0.577 8.560 8.280 -0.495 0.000 0.456 282 P HA 0.177 nan 4.420 nan 0.000 0.275 282 P C -1.269 176.034 177.300 0.005 0.000 1.227 282 P CA 0.020 62.977 63.100 -0.237 0.000 0.781 282 P CB 0.682 32.008 31.700 -0.623 0.000 0.906 283 R N 1.841 122.358 120.500 0.028 0.000 2.627 283 R HA 0.275 nan 4.340 nan 0.000 0.251 283 R C -0.740 175.623 176.300 0.105 0.000 1.524 283 R CA -1.038 55.120 56.100 0.097 0.000 1.606 283 R CB 1.772 32.100 30.300 0.046 0.000 1.396 283 R HN 0.223 8.486 8.270 -0.012 0.000 0.724 284 Y N 4.445 124.778 120.300 0.054 0.000 3.083 284 Y HA -0.285 nan 4.550 nan 0.000 0.350 284 Y C -1.363 174.568 175.900 0.050 0.000 1.266 284 Y CA 0.416 58.558 58.100 0.069 0.000 1.594 284 Y CB 0.085 38.609 38.460 0.106 0.000 1.179 284 Y HN 0.295 8.760 8.280 0.307 0.000 0.602 285 P HA 0.164 nan 4.420 nan 0.000 0.256 285 P C -1.550 175.562 177.300 -0.314 0.000 1.384 285 P CA -0.139 62.427 63.100 -0.891 0.000 0.879 285 P CB 0.716 31.859 31.700 -0.929 0.000 1.403 286 G N -0.567 108.139 108.800 -0.156 0.000 2.938 286 G HA2 0.547 nan 3.960 nan 0.000 0.258 286 G HA3 0.547 nan 3.960 nan 0.000 0.258 286 G C -2.764 172.097 174.900 -0.065 0.000 1.356 286 G CA -1.702 43.348 45.100 -0.083 0.000 1.052 286 G HN -0.334 7.707 8.290 -0.124 0.175 0.550 287 V N -2.026 117.836 119.914 -0.087 0.000 2.841 287 V HA 0.769 nan 4.120 nan 0.000 0.310 287 V C -2.249 173.707 176.094 -0.230 0.000 1.090 287 V CA -1.163 61.043 62.300 -0.157 0.000 0.930 287 V CB 3.849 35.605 31.823 -0.110 0.000 1.014 287 V HN -0.364 7.786 8.190 -0.067 0.000 0.425 288 R N 4.202 124.428 120.500 -0.458 0.000 2.686 288 R HA 0.865 nan 4.340 nan 0.000 0.283 288 R C -2.135 173.848 176.300 -0.528 0.000 0.978 288 R CA -1.497 54.320 56.100 -0.473 0.000 0.897 288 R CB 3.972 33.940 30.300 -0.553 0.000 1.192 288 R HN 0.398 8.288 8.270 -0.634 0.000 0.457 289 c N 4.539 123.001 118.600 -0.231 0.000 2.634 289 c HA 0.798 nan 4.570 nan 0.000 0.313 289 c C -1.484 172.612 174.090 0.009 0.000 1.198 289 c CA -1.437 54.828 56.329 -0.107 0.000 1.605 289 c CB 3.116 45.584 42.510 -0.070 0.000 2.196 289 c HN 0.630 8.775 8.230 -0.142 0.000 0.486 290 I N 2.374 122.999 120.570 0.091 0.000 2.418 290 I HA 0.573 nan 4.170 nan 0.000 0.287 290 I C -1.443 174.709 176.117 0.058 0.000 1.008 290 I CA -0.908 60.452 61.300 0.100 0.000 1.104 290 I CB 2.335 40.435 38.000 0.166 0.000 1.264 290 I HN 0.167 8.452 8.210 0.125 0.000 0.438 291 c N 7.394 125.999 118.600 0.008 0.000 3.018 291 c HA 0.893 nan 4.570 nan 0.000 0.393 291 c C -1.807 172.283 174.090 -0.001 0.000 2.195 291 c CA -2.768 53.561 56.329 -0.000 0.000 1.696 291 c CB 3.707 46.205 42.510 -0.021 0.000 2.455 291 c HN 0.529 8.750 8.230 -0.015 0.000 0.478 292 R N 0.413 120.919 120.500 0.010 0.000 2.494 292 R HA 0.342 nan 4.340 nan 0.000 0.305 292 R C -2.309 174.057 176.300 0.110 0.000 0.959 292 R CA -0.855 55.268 56.100 0.039 0.000 0.864 292 R CB 2.491 32.800 30.300 0.016 0.000 1.159 292 R HN 0.530 8.707 8.270 0.007 0.097 0.446 293 D N 5.843 126.340 120.400 0.161 0.000 2.381 293 D HA 0.158 nan 4.640 nan 0.000 0.235 293 D C -1.280 175.167 176.300 0.244 0.000 1.068 293 D CA -1.259 52.908 54.000 0.278 0.000 0.832 293 D CB 1.743 42.732 40.800 0.314 0.000 1.101 293 D HN -0.317 8.289 8.370 0.128 -0.159 0.515 294 N N 6.441 125.357 118.700 0.359 0.000 2.373 294 N HA 0.089 nan 4.740 nan 0.000 0.181 294 N C -0.037 175.528 175.510 0.092 0.000 1.082 294 N CA 1.611 54.788 53.050 0.211 0.000 0.885 294 N CB 1.181 39.833 38.487 0.275 0.000 0.977 294 N HN 0.289 9.047 8.380 0.630 0.000 0.462 295 W N 0.901 122.081 121.300 -0.200 0.000 2.984 295 W HA 0.205 nan 4.660 nan 0.000 0.288 295 W C 0.208 176.686 176.519 -0.069 0.000 1.016 295 W CA 2.347 59.564 57.345 -0.213 0.000 1.835 295 W CB 1.200 30.461 29.460 -0.331 0.000 1.201 295 W HN 0.007 8.490 8.180 0.205 -0.180 0.529 296 K N -2.266 118.095 120.400 -0.066 0.000 2.440 296 K HA 0.210 nan 4.320 nan 0.000 0.206 296 K C -1.280 175.260 176.600 -0.100 0.000 1.025 296 K CA -0.847 55.303 56.287 -0.229 0.000 1.135 296 K CB 0.621 32.818 32.500 -0.505 0.000 0.856 296 K HN -0.500 7.844 8.250 0.043 -0.069 0.502 297 G N -3.758 105.054 108.800 0.020 0.000 2.690 297 G HA2 0.459 nan 3.960 nan 0.000 0.293 297 G HA3 0.459 nan 3.960 nan 0.000 0.293 297 G C -1.790 173.149 174.900 0.066 0.000 1.399 297 G CA -0.161 44.962 45.100 0.038 0.000 0.890 297 G HN -0.703 7.788 8.290 0.078 -0.154 0.485 298 S N -1.077 114.644 115.700 0.035 0.000 2.564 298 S HA 0.216 nan 4.470 nan 0.000 0.231 298 S C -0.437 174.190 174.600 0.045 0.000 1.067 298 S CA 0.381 58.597 58.200 0.028 0.000 0.908 298 S CB 1.520 64.720 63.200 -0.000 0.000 0.809 298 S HN -0.038 8.526 8.310 0.001 -0.253 0.491 299 N N 1.156 119.896 118.700 0.066 0.000 2.483 299 N HA -0.125 nan 4.740 nan 0.000 0.269 299 N C -1.283 174.363 175.510 0.226 0.000 1.209 299 N CA -0.394 52.726 53.050 0.118 0.000 0.969 299 N CB 0.799 39.350 38.487 0.107 0.000 1.173 299 N HN -0.923 7.593 8.380 0.038 -0.113 0.475 300 R N -1.835 118.762 120.500 0.162 0.000 2.312 300 R HA 0.307 nan 4.340 nan 0.000 0.311 300 R C -1.974 174.301 176.300 -0.040 0.000 1.004 300 R CA -3.002 53.145 56.100 0.080 0.000 0.902 300 R CB 0.323 30.636 30.300 0.021 0.000 1.073 300 R HN 0.255 8.597 8.270 0.119 0.000 0.457 301 P HA -0.031 nan 4.420 nan 0.000 0.269 301 P C -1.576 175.572 177.300 -0.253 0.000 1.217 301 P CA 0.362 63.118 63.100 -0.573 0.000 0.783 301 P CB 0.184 31.644 31.700 -0.400 0.000 0.898 302 V N 0.111 119.894 119.914 -0.219 0.000 2.656 302 V HA 0.546 nan 4.120 nan 0.000 0.307 302 V C -1.170 174.896 176.094 -0.046 0.000 1.051 302 V CA -0.838 61.444 62.300 -0.030 0.000 0.893 302 V CB 3.628 35.491 31.823 0.066 0.000 0.999 302 V HN -0.015 7.903 8.190 -0.338 0.069 0.426 303 V N 6.611 126.511 119.914 -0.024 0.000 2.531 303 V HA 0.501 nan 4.120 nan 0.000 0.301 303 V C -1.844 174.237 176.094 -0.023 0.000 1.034 303 V CA -1.258 61.023 62.300 -0.030 0.000 0.865 303 V CB 2.587 34.383 31.823 -0.044 0.000 0.995 303 V HN 0.554 8.735 8.190 -0.014 0.000 0.424 304 D N 7.232 127.631 120.400 -0.001 0.000 2.308 304 D HA 0.680 nan 4.640 nan 0.000 0.242 304 D C -1.646 174.660 176.300 0.010 0.000 1.059 304 D CA -0.438 53.562 54.000 0.001 0.000 0.830 304 D CB 3.343 44.164 40.800 0.035 0.000 1.161 304 D HN 0.573 8.841 8.370 0.007 0.106 0.494 305 I N 3.438 124.010 120.570 0.003 0.000 2.378 305 I HA 0.202 nan 4.170 nan 0.000 0.291 305 I C -1.862 174.293 176.117 0.063 0.000 0.992 305 I CA -1.159 60.180 61.300 0.066 0.000 1.154 305 I CB 2.477 40.502 38.000 0.041 0.000 1.315 305 I HN 0.305 8.497 8.210 -0.030 0.000 0.448 306 N N 7.418 126.161 118.700 0.072 0.000 2.462 306 N HA 0.277 nan 4.740 nan 0.000 0.242 306 N C 0.285 175.777 175.510 -0.029 0.000 1.010 306 N CA -1.609 51.431 53.050 -0.018 0.000 0.939 306 N CB 0.997 39.443 38.487 -0.067 0.000 1.127 306 N HN 0.361 8.806 8.380 0.108 0.000 0.509 307 M N 4.166 123.752 119.600 -0.022 0.000 2.374 307 M HA -0.277 nan 4.480 nan 0.000 0.264 307 M C 0.835 176.962 176.300 -0.288 0.000 1.067 307 M CA 1.548 56.839 55.300 -0.016 0.000 1.103 307 M CB -0.859 31.760 32.600 0.032 0.000 1.402 307 M HN 0.594 8.862 8.290 -0.036 0.000 0.444 308 E N -2.652 117.361 120.200 -0.313 0.000 2.086 308 E HA -0.168 nan 4.350 nan 0.000 0.190 308 E C 1.467 177.703 176.600 -0.607 0.000 0.975 308 E CA 1.448 57.608 56.400 -0.400 0.000 0.813 308 E CB 0.343 29.894 29.700 -0.249 0.000 0.768 308 E HN -0.339 8.045 8.360 -0.229 -0.162 0.457 309 D N -3.564 116.527 120.400 -0.514 0.000 2.389 309 D HA 0.037 nan 4.640 nan 0.000 0.206 309 D C 0.157 176.114 176.300 -0.572 0.000 1.055 309 D CA 0.321 54.029 54.000 -0.487 0.000 0.856 309 D CB 1.221 41.877 40.800 -0.240 0.000 0.957 309 D HN -0.275 8.221 8.370 -0.370 -0.348 0.509 310 Y N -5.323 114.705 120.300 -0.454 0.000 4.729 310 Y HA -0.432 nan 4.550 nan 0.000 0.239 310 Y C -1.115 174.640 175.900 -0.242 0.000 1.043 310 Y CA 0.615 58.293 58.100 -0.703 0.000 2.045 310 Y CB -3.248 34.420 38.460 -1.320 0.000 1.599 310 Y HN 0.215 8.106 8.280 -0.648 0.000 0.655 311 S N -0.495 115.182 115.700 -0.039 0.000 2.548 311 S HA 0.120 nan 4.470 nan 0.000 0.277 311 S C -1.065 173.576 174.600 0.068 0.000 1.315 311 S CA -0.154 58.053 58.200 0.012 0.000 1.050 311 S CB 0.794 63.977 63.200 -0.027 0.000 0.918 311 S HN -0.283 7.897 8.310 -0.121 0.057 0.497 312 I N 1.206 121.818 120.570 0.070 0.000 2.750 312 I HA 0.540 nan 4.170 nan 0.000 0.308 312 I C -0.837 175.302 176.117 0.037 0.000 1.016 312 I CA -1.721 59.618 61.300 0.065 0.000 1.098 312 I CB 2.252 40.294 38.000 0.069 0.000 1.279 312 I HN 0.043 8.286 8.210 0.056 0.000 0.454 313 D N 3.099 123.516 120.400 0.029 0.000 2.736 313 D HA 0.303 nan 4.640 nan 0.000 0.223 313 D C -2.269 174.040 176.300 0.015 0.000 1.231 313 D CA -1.574 52.440 54.000 0.023 0.000 0.818 313 D CB 2.634 43.450 40.800 0.026 0.000 1.587 313 D HN 0.058 8.444 8.370 0.027 0.000 0.463 314 S N 0.550 116.256 115.700 0.010 0.000 2.588 314 S HA 0.799 nan 4.470 nan 0.000 0.275 314 S C -1.570 173.022 174.600 -0.014 0.000 1.130 314 S CA -1.080 57.111 58.200 -0.017 0.000 0.855 314 S CB 3.518 66.699 63.200 -0.032 0.000 1.116 314 S HN 0.065 8.386 8.310 0.018 0.000 0.472 315 S N 0.042 115.705 115.700 -0.061 0.000 2.929 315 S HA 0.671 nan 4.470 nan 0.000 0.311 315 S C -2.168 172.356 174.600 -0.127 0.000 1.213 315 S CA -0.146 58.050 58.200 -0.006 0.000 0.908 315 S CB 3.069 66.246 63.200 -0.037 0.000 1.287 315 S HN 0.367 8.606 8.310 -0.118 0.000 0.594 316 Y N -1.168 119.096 120.300 -0.060 0.000 2.536 316 Y HA 0.300 nan 4.550 nan 0.000 0.347 316 Y C -0.420 175.422 175.900 -0.098 0.000 1.000 316 Y CA -0.151 57.920 58.100 -0.048 0.000 1.051 316 Y CB 3.461 41.893 38.460 -0.048 0.000 1.259 316 Y HN -0.317 7.973 8.280 0.163 0.088 0.468 317 V N -2.640 117.322 119.914 0.080 0.000 2.585 317 V HA 0.009 nan 4.120 nan 0.000 0.296 317 V C 0.390 176.458 176.094 -0.043 0.000 1.035 317 V CA -0.316 61.986 62.300 0.002 0.000 1.084 317 V CB -0.959 30.926 31.823 0.104 0.000 0.953 317 V HN 0.300 8.559 8.190 0.116 0.000 0.483 318 c N 5.987 124.489 118.600 -0.164 0.000 2.398 318 c HA -0.335 nan 4.570 nan 0.000 0.276 318 c C 1.059 175.113 174.090 -0.060 0.000 1.222 318 c CA 2.370 58.621 56.329 -0.130 0.000 1.746 318 c CB -1.128 41.267 42.510 -0.192 0.000 2.039 318 c HN 0.916 8.946 8.230 -0.333 0.000 0.470 319 S N -0.712 114.972 115.700 -0.026 0.000 2.817 319 S HA -0.403 nan 4.470 nan 0.000 0.333 319 S C 1.707 176.299 174.600 -0.013 0.000 1.227 319 S CA 1.492 59.688 58.200 -0.007 0.000 1.027 319 S CB 0.351 63.566 63.200 0.025 0.000 0.732 319 S HN -0.331 7.970 8.310 -0.014 0.000 0.499 320 G N 4.987 113.773 108.800 -0.023 0.000 2.813 320 G HA2 0.018 nan 3.960 nan 0.000 0.209 320 G HA3 0.018 nan 3.960 nan 0.000 0.209 320 G C 0.116 175.004 174.900 -0.020 0.000 1.150 320 G CA 0.596 45.679 45.100 -0.029 0.000 0.785 320 G HN 0.676 8.795 8.290 -0.026 0.155 0.535 321 L N -0.891 120.333 121.223 0.002 0.000 2.240 321 L HA -0.135 nan 4.340 nan 0.000 0.211 321 L C -0.401 176.494 176.870 0.041 0.000 1.106 321 L CA 1.053 55.910 54.840 0.028 0.000 0.793 321 L CB 0.510 42.622 42.059 0.088 0.000 0.927 321 L HN -0.644 7.537 8.230 0.009 0.054 0.446 322 V N -2.854 117.074 119.914 0.023 0.000 3.605 322 V HA -0.317 nan 4.120 nan 0.000 0.507 322 V C 0.452 176.532 176.094 -0.022 0.000 0.682 322 V CA 0.665 62.966 62.300 0.002 0.000 2.051 322 V CB -0.661 31.161 31.823 -0.001 0.000 2.472 322 V HN -0.743 7.459 8.190 0.020 0.000 0.509 323 G N 4.302 113.067 108.800 -0.058 0.000 2.777 323 G HA2 -0.093 nan 3.960 nan 0.000 0.211 323 G HA3 -0.093 nan 3.960 nan 0.000 0.211 323 G C -0.210 174.640 174.900 -0.083 0.000 1.149 323 G CA 0.005 45.033 45.100 -0.121 0.000 0.785 323 G HN 0.493 8.760 8.290 -0.037 0.000 0.536 324 D N 1.264 121.646 120.400 -0.030 0.000 2.398 324 D HA 0.143 nan 4.640 nan 0.000 0.247 324 D C -1.839 174.460 176.300 -0.001 0.000 1.227 324 D CA 0.595 54.590 54.000 -0.008 0.000 0.980 324 D CB 2.174 42.987 40.800 0.023 0.000 1.106 324 D HN -0.543 7.820 8.370 -0.013 0.000 0.493 325 T N 1.049 115.614 114.554 0.018 0.000 2.937 325 T HA 0.430 nan 4.350 nan 0.000 0.297 325 T C -2.640 172.085 174.700 0.042 0.000 0.991 325 T CA -3.036 59.081 62.100 0.029 0.000 0.990 325 T CB 1.848 70.743 68.868 0.045 0.000 0.991 325 T HN 0.126 8.381 8.240 0.025 0.000 0.440 326 P HA 0.129 nan 4.420 nan 0.000 0.269 326 P C -1.982 175.328 177.300 0.017 0.000 1.215 326 P CA -0.322 62.793 63.100 0.026 0.000 0.780 326 P CB 0.844 32.558 31.700 0.024 0.000 0.898 327 R N 1.291 121.796 120.500 0.009 0.000 2.764 327 R HA 0.285 nan 4.340 nan 0.000 0.270 327 R C -0.479 175.819 176.300 -0.004 0.000 1.014 327 R CA -2.032 54.068 56.100 0.000 0.000 0.904 327 R CB 2.837 33.136 30.300 -0.001 0.000 1.236 327 R HN -0.108 8.168 8.270 0.010 0.000 0.466 328 N N 0.776 119.469 118.700 -0.012 0.000 2.092 328 N HA -0.187 nan 4.740 nan 0.000 0.189 328 N C -1.644 173.858 175.510 -0.014 0.000 1.040 328 N CA 1.761 54.802 53.050 -0.015 0.000 0.845 328 N CB 0.994 39.468 38.487 -0.023 0.000 1.017 328 N HN 0.687 9.059 8.380 -0.014 0.000 0.426 329 D N -8.847 111.543 120.400 -0.016 0.000 3.459 329 D HA -0.057 nan 4.640 nan 0.000 0.307 329 D C -1.788 174.496 176.300 -0.026 0.000 0.977 329 D CA -0.067 53.922 54.000 -0.018 0.000 0.763 329 D CB 0.513 41.302 40.800 -0.018 0.000 2.304 329 D HN -0.682 7.678 8.370 -0.018 0.000 0.542 330 D N -2.518 117.862 120.400 -0.033 0.000 2.263 330 D HA -0.255 nan 4.640 nan 0.000 0.208 330 D C 1.326 177.599 176.300 -0.046 0.000 0.971 330 D CA 2.176 56.149 54.000 -0.045 0.000 0.867 330 D CB -0.033 40.727 40.800 -0.067 0.000 0.929 330 D HN 0.270 8.620 8.370 -0.033 0.000 0.492 331 R N -1.738 118.738 120.500 -0.041 0.000 2.057 331 R HA -0.174 nan 4.340 nan 0.000 0.229 331 R C 1.989 178.267 176.300 -0.037 0.000 1.136 331 R CA 2.272 58.349 56.100 -0.039 0.000 0.952 331 R CB 0.274 30.554 30.300 -0.034 0.000 0.848 331 R HN -0.123 8.352 8.270 -0.037 -0.227 0.430 332 S N -2.564 113.116 115.700 -0.033 0.000 2.677 332 S HA -0.010 nan 4.470 nan 0.000 0.246 332 S C -1.166 173.413 174.600 -0.036 0.000 1.005 332 S CA -0.391 57.789 58.200 -0.033 0.000 1.062 332 S CB -0.439 62.744 63.200 -0.030 0.000 0.778 332 S HN -0.628 7.861 8.310 -0.031 -0.197 0.461 333 S N 0.299 115.977 115.700 -0.038 0.000 2.566 333 S HA 0.205 nan 4.470 nan 0.000 0.298 333 S C -2.027 172.547 174.600 -0.043 0.000 1.083 333 S CA -1.284 56.893 58.200 -0.038 0.000 0.978 333 S CB 2.166 65.347 63.200 -0.031 0.000 1.073 333 S HN -0.828 7.411 8.310 -0.039 0.047 0.491 334 N N 2.897 121.567 118.700 -0.049 0.000 2.610 334 N HA 0.245 nan 4.740 nan 0.000 0.264 334 N C -2.507 172.964 175.510 -0.064 0.000 1.348 334 N CA 0.346 53.362 53.050 -0.056 0.000 0.819 334 N CB 4.219 42.667 38.487 -0.064 0.000 1.521 334 N HN -0.057 8.608 8.380 -0.051 -0.315 0.497 335 S N -1.971 113.688 115.700 -0.067 0.000 2.543 335 S HA 0.210 nan 4.470 nan 0.000 0.273 335 S C -1.711 172.841 174.600 -0.079 0.000 1.152 335 S CA -0.776 57.378 58.200 -0.076 0.000 0.910 335 S CB 2.201 65.377 63.200 -0.040 0.000 1.105 335 S HN 0.143 8.415 8.310 -0.063 0.000 0.465 336 N N 4.020 122.662 118.700 -0.097 0.000 2.234 336 N HA 0.243 nan 4.740 nan 0.000 0.227 336 N C 0.638 176.099 175.510 -0.082 0.000 1.151 336 N CA -1.700 51.298 53.050 -0.088 0.000 0.865 336 N CB -0.171 38.261 38.487 -0.092 0.000 1.066 336 N HN 0.636 8.940 8.380 -0.126 0.000 0.515 337 c N -3.688 114.871 118.600 -0.068 0.000 5.004 337 c HA -0.429 nan 4.570 nan 0.000 0.279 337 c C 0.886 174.981 174.090 0.009 0.000 1.815 337 c CA 1.898 58.194 56.329 -0.055 0.000 1.785 337 c CB -2.662 39.771 42.510 -0.129 0.000 2.284 337 c HN -0.112 8.011 8.230 -0.061 0.070 0.590 338 R N -1.792 118.699 120.500 -0.016 0.000 2.243 338 R HA 0.155 nan 4.340 nan 0.000 0.193 338 R C -0.558 175.728 176.300 -0.023 0.000 0.933 338 R CA 0.685 56.794 56.100 0.016 0.000 1.105 338 R CB 1.842 32.124 30.300 -0.030 0.000 1.169 338 R HN 0.319 8.811 8.270 -0.071 -0.264 0.599 339 D N -1.339 118.910 120.400 -0.251 0.000 2.419 339 D HA 0.494 nan 4.640 nan 0.000 0.234 339 D C -2.316 173.427 176.300 -0.928 0.000 1.014 339 D CA -2.391 51.353 54.000 -0.427 0.000 0.919 339 D CB 0.683 41.338 40.800 -0.242 0.000 1.366 339 D HN -0.103 8.495 8.370 -0.246 -0.375 0.490 340 P HA -0.130 nan 4.420 nan 0.000 0.262 340 P C -0.612 176.432 177.300 -0.428 0.000 1.182 340 P CA 0.238 62.903 63.100 -0.724 0.000 0.761 340 P CB 0.148 31.630 31.700 -0.364 0.000 0.795 341 N N 3.431 121.935 118.700 -0.327 0.000 2.512 341 N HA -0.236 nan 4.740 nan 0.000 0.183 341 N C 1.072 176.483 175.510 -0.164 0.000 1.073 341 N CA 0.533 53.458 53.050 -0.209 0.000 0.911 341 N CB -0.047 38.352 38.487 -0.147 0.000 0.964 341 N HN 0.271 8.797 8.380 -0.320 -0.338 0.447 342 N N -2.020 116.577 118.700 -0.171 0.000 2.732 342 N HA -0.328 nan 4.740 nan 0.000 0.250 342 N C -1.594 173.857 175.510 -0.099 0.000 1.097 342 N CA 2.090 55.052 53.050 -0.146 0.000 0.812 342 N CB -0.782 37.613 38.487 -0.154 0.000 1.148 342 N HN 0.059 8.278 8.380 -0.192 0.046 0.572 343 E N -0.171 119.981 120.200 -0.080 0.000 2.115 343 E HA 0.124 nan 4.350 nan 0.000 0.282 343 E C -0.493 176.084 176.600 -0.039 0.000 0.987 343 E CA -1.037 55.330 56.400 -0.055 0.000 0.797 343 E CB 0.454 30.124 29.700 -0.050 0.000 1.086 343 E HN -0.564 8.006 8.360 -0.087 -0.262 0.397 344 R N 3.703 124.186 120.500 -0.028 0.000 3.387 344 R HA -0.367 nan 4.340 nan 0.000 0.254 344 R C 0.288 176.587 176.300 -0.002 0.000 1.006 344 R CA 0.321 56.414 56.100 -0.011 0.000 0.677 344 R CB -2.307 27.991 30.300 -0.004 0.000 1.063 344 R HN 0.810 9.062 8.270 -0.031 0.000 0.453 345 G N -1.209 107.582 108.800 -0.015 0.000 2.672 345 G HA2 -0.358 nan 3.960 nan 0.000 0.218 345 G HA3 -0.358 nan 3.960 nan 0.000 0.218 345 G C 0.236 175.161 174.900 0.042 0.000 1.238 345 G CA 0.927 46.026 45.100 -0.002 0.000 0.791 345 G HN 0.115 8.352 8.290 -0.035 0.033 0.606 346 T N 3.344 117.926 114.554 0.047 0.000 2.866 346 T HA -0.142 nan 4.350 nan 0.000 0.293 346 T C -0.771 173.968 174.700 0.065 0.000 1.005 346 T CA 1.337 63.479 62.100 0.070 0.000 1.162 346 T CB -0.692 68.217 68.868 0.068 0.000 0.968 346 T HN -0.216 8.041 8.240 0.028 0.000 0.530 347 Q N 2.368 122.215 119.800 0.079 0.000 0.280 347 Q HA -0.337 nan 4.340 nan 0.000 0.258 347 Q C -1.772 174.280 176.000 0.087 0.000 1.091 347 Q CA 0.086 55.940 55.803 0.084 0.000 0.239 347 Q CB 0.461 29.243 28.738 0.073 0.000 5.621 347 Q HN 0.416 8.647 8.270 0.086 0.091 0.291 348 G N -5.142 103.709 108.800 0.086 0.000 2.494 348 G HA2 0.552 nan 3.960 nan 0.000 0.308 348 G HA3 0.552 nan 3.960 nan 0.000 0.308 348 G C -3.100 171.838 174.900 0.063 0.000 1.263 348 G CA -0.331 44.809 45.100 0.067 0.000 0.840 348 G HN -0.265 8.082 8.290 0.094 0.000 0.479 349 V N -0.753 119.162 119.914 0.001 0.000 3.077 349 V HA 0.263 nan 4.120 nan 0.000 0.299 349 V C -2.804 173.136 176.094 -0.256 0.000 1.276 349 V CA -1.260 61.001 62.300 -0.064 0.000 0.993 349 V CB 3.503 35.366 31.823 0.067 0.000 1.076 349 V HN -0.270 8.046 8.190 -0.015 -0.135 0.434 350 K N 6.786 126.748 120.400 -0.730 0.000 2.401 350 K HA 0.044 nan 4.320 nan 0.000 0.278 350 K C -0.979 175.533 176.600 -0.148 0.000 1.018 350 K CA 1.250 57.240 56.287 -0.495 0.000 0.981 350 K CB 1.152 33.205 32.500 -0.746 0.000 0.933 350 K HN 0.412 7.762 8.250 -1.501 0.000 0.477 351 G N 3.251 112.032 108.800 -0.031 0.000 2.827 351 G HA2 0.438 nan 3.960 nan 0.000 0.296 351 G HA3 0.438 nan 3.960 nan 0.000 0.296 351 G C -2.294 172.662 174.900 0.093 0.000 1.362 351 G CA -1.069 44.048 45.100 0.028 0.000 0.809 351 G HN -0.114 8.154 8.290 -0.035 0.000 0.522 352 W N -4.628 116.663 121.300 -0.014 0.000 2.961 352 W HA 0.372 nan 4.660 nan 0.000 0.368 352 W C -2.983 173.548 176.519 0.019 0.000 1.213 352 W CA -1.650 55.708 57.345 0.022 0.000 1.173 352 W CB 1.649 31.109 29.460 0.000 0.000 1.487 352 W HN -0.127 7.721 8.180 -0.553 0.000 0.585 353 A N -2.051 120.807 122.820 0.064 0.000 2.549 353 A HA 0.559 nan 4.320 nan 0.000 0.291 353 A C -2.339 175.464 177.584 0.365 0.000 1.034 353 A CA 0.087 52.087 52.037 -0.063 0.000 0.655 353 A CB 2.567 21.507 19.000 -0.099 0.000 1.299 353 A HN -0.110 8.322 8.150 0.470 0.000 0.427 354 F N -4.910 115.102 119.950 0.103 0.000 2.654 354 F HA 0.629 nan 4.527 nan 0.000 0.308 354 F C -2.295 173.474 175.800 -0.051 0.000 1.108 354 F CA -1.411 56.540 58.000 -0.082 0.000 0.957 354 F CB 2.933 41.652 39.000 -0.469 0.000 1.309 354 F HN 0.615 8.885 8.300 -0.050 0.000 0.446 355 D N 0.231 120.555 120.400 -0.127 0.000 2.312 355 D HA 0.194 nan 4.640 nan 0.000 0.248 355 D C -1.237 175.014 176.300 -0.081 0.000 1.086 355 D CA -0.752 53.025 54.000 -0.373 0.000 0.948 355 D CB 1.528 41.609 40.800 -1.199 0.000 1.162 355 D HN -0.192 8.177 8.370 -0.002 0.000 0.446 356 N N 1.419 120.077 118.700 -0.071 0.000 2.664 356 N HA 0.095 nan 4.740 nan 0.000 0.268 356 N C 0.197 175.727 175.510 0.033 0.000 1.222 356 N CA 0.160 53.249 53.050 0.066 0.000 0.805 356 N CB 2.617 41.208 38.487 0.173 0.000 1.399 356 N HN 0.297 8.606 8.380 -0.118 0.000 0.547 357 G N 7.114 115.937 108.800 0.039 0.000 2.602 357 G HA2 -0.487 nan 3.960 nan 0.000 0.310 357 G HA3 -0.487 nan 3.960 nan 0.000 0.310 357 G C -0.428 174.551 174.900 0.132 0.000 1.183 357 G CA 1.826 46.970 45.100 0.074 0.000 0.979 357 G HN 0.644 8.950 8.290 0.027 0.000 0.545 358 N N 5.519 124.302 118.700 0.138 0.000 2.205 358 N HA 0.233 nan 4.740 nan 0.000 0.201 358 N C -1.478 174.143 175.510 0.184 0.000 1.128 358 N CA -0.144 53.036 53.050 0.216 0.000 0.867 358 N CB 1.233 39.798 38.487 0.130 0.000 0.996 358 N HN 0.124 8.557 8.380 0.089 0.000 0.503 359 D N 0.486 120.936 120.400 0.084 0.000 2.332 359 D HA 0.569 nan 4.640 nan 0.000 0.252 359 D C -2.250 174.025 176.300 -0.042 0.000 1.050 359 D CA 0.025 54.013 54.000 -0.020 0.000 0.970 359 D CB 2.505 43.220 40.800 -0.141 0.000 1.141 359 D HN 0.156 8.380 8.370 0.062 0.182 0.485 360 L N -0.007 121.133 121.223 -0.139 0.000 2.381 360 L HA 0.561 nan 4.340 nan 0.000 0.274 360 L C -2.229 174.417 176.870 -0.372 0.000 0.988 360 L CA -0.599 54.146 54.840 -0.159 0.000 0.824 360 L CB 3.660 45.730 42.059 0.018 0.000 1.263 360 L HN 0.106 8.229 8.230 -0.179 0.000 0.410 361 W N 7.057 128.082 121.300 -0.459 0.000 2.390 361 W HA 0.572 nan 4.660 nan 0.000 0.312 361 W C -1.282 174.948 176.519 -0.481 0.000 1.123 361 W CA -0.622 56.447 57.345 -0.459 0.000 1.202 361 W CB 1.977 30.952 29.460 -0.808 0.000 1.251 361 W HN 0.729 8.667 8.180 -0.402 0.000 0.511 362 M N -1.358 118.040 119.600 -0.338 0.000 2.880 362 M HA 0.848 nan 4.480 nan 0.000 0.269 362 M C -2.227 173.410 176.300 -1.105 0.000 1.248 362 M CA -0.781 53.985 55.300 -0.891 0.000 0.821 362 M CB 4.148 36.344 32.600 -0.674 0.000 1.650 362 M HN 0.365 8.516 8.290 -0.231 0.000 0.479 363 G N -2.942 105.052 108.800 -1.342 0.000 2.672 363 G HA2 0.906 nan 3.960 nan 0.000 0.292 363 G HA3 0.906 nan 3.960 nan 0.000 0.292 363 G C -2.247 172.056 174.900 -0.995 0.000 1.375 363 G CA -0.476 43.995 45.100 -1.049 0.000 0.890 363 G HN -0.330 7.086 8.290 -1.457 0.000 0.476 364 R N -3.795 116.023 120.500 -1.137 0.000 2.752 364 R HA 0.625 nan 4.340 nan 0.000 0.277 364 R C -0.976 174.934 176.300 -0.649 0.000 1.024 364 R CA -1.352 54.342 56.100 -0.677 0.000 0.866 364 R CB 2.122 32.203 30.300 -0.365 0.000 1.278 364 R HN -0.080 7.354 8.270 -1.394 0.000 0.473 365 T N -5.152 109.274 114.554 -0.214 0.000 2.868 365 T HA 0.342 nan 4.350 nan 0.000 0.292 365 T C 1.323 175.989 174.700 -0.058 0.000 1.028 365 T CA -0.772 61.302 62.100 -0.042 0.000 1.059 365 T CB 0.520 69.434 68.868 0.077 0.000 0.991 365 T HN 0.207 8.375 8.240 -0.120 0.000 0.531 366 I N 1.782 122.357 120.570 0.008 0.000 2.406 366 I HA -0.201 nan 4.170 nan 0.000 0.249 366 I C 0.576 176.709 176.117 0.026 0.000 1.122 366 I CA 2.766 64.079 61.300 0.022 0.000 1.431 366 I CB 0.379 38.411 38.000 0.054 0.000 1.087 366 I HN 0.099 8.233 8.210 0.057 0.111 0.424 367 S N -0.416 115.307 115.700 0.038 0.000 2.585 367 S HA -0.084 nan 4.470 nan 0.000 0.273 367 S C -0.021 174.594 174.600 0.025 0.000 1.339 367 S CA -0.098 58.123 58.200 0.034 0.000 1.028 367 S CB 0.673 63.900 63.200 0.045 0.000 0.906 367 S HN -0.463 7.879 8.310 0.053 0.000 0.528 368 K N 3.059 123.470 120.400 0.019 0.000 2.355 368 K HA 0.127 nan 4.320 nan 0.000 0.198 368 K C 0.253 176.865 176.600 0.020 0.000 1.039 368 K CA 1.132 57.428 56.287 0.014 0.000 1.075 368 K CB 0.420 32.924 32.500 0.007 0.000 0.870 368 K HN 0.471 8.732 8.250 0.018 0.000 0.540 369 D N -0.179 120.235 120.400 0.024 0.000 2.615 369 D HA 0.046 nan 4.640 nan 0.000 0.259 369 D C 0.012 176.334 176.300 0.037 0.000 0.999 369 D CA 2.054 56.070 54.000 0.026 0.000 0.938 369 D CB 1.590 42.402 40.800 0.021 0.000 1.121 369 D HN -0.712 7.613 8.370 0.026 0.061 0.487 370 L N -1.596 119.653 121.223 0.043 0.000 2.332 370 L HA 0.217 nan 4.340 nan 0.000 0.269 370 L C -1.050 175.865 176.870 0.075 0.000 1.016 370 L CA -1.458 53.415 54.840 0.055 0.000 0.809 370 L CB 2.400 44.487 42.059 0.047 0.000 1.280 370 L HN -0.616 7.637 8.230 0.039 0.000 0.447 371 R N 2.239 122.797 120.500 0.098 0.000 2.825 371 R HA 0.193 nan 4.340 nan 0.000 0.261 371 R C -1.042 175.341 176.300 0.138 0.000 1.341 371 R CA -0.347 55.833 56.100 0.133 0.000 1.353 371 R CB -0.824 29.580 30.300 0.174 0.000 1.191 371 R HN 0.560 8.886 8.270 0.093 0.000 0.590 372 S N 2.998 118.772 115.700 0.124 0.000 2.536 372 S HA 0.588 nan 4.470 nan 0.000 0.287 372 S C -0.977 173.704 174.600 0.136 0.000 1.101 372 S CA -0.836 57.437 58.200 0.122 0.000 0.950 372 S CB 3.266 66.517 63.200 0.086 0.000 1.056 372 S HN -0.233 8.107 8.310 0.110 0.035 0.481 373 G N 4.231 113.128 108.800 0.162 0.000 2.856 373 G HA2 -0.360 nan 3.960 nan 0.000 0.674 373 G HA3 -0.360 nan 3.960 nan 0.000 0.674 373 G C -2.402 172.652 174.900 0.256 0.000 1.519 373 G CA 0.069 45.276 45.100 0.179 0.000 0.940 373 G HN 0.506 8.894 8.290 0.164 0.000 0.564 374 Y N 1.732 122.098 120.300 0.110 0.000 2.482 374 Y HA 0.406 nan 4.550 nan 0.000 0.334 374 Y C -2.827 173.127 175.900 0.090 0.000 1.091 374 Y CA -0.631 57.526 58.100 0.094 0.000 1.027 374 Y CB 3.995 42.533 38.460 0.129 0.000 1.306 374 Y HN 0.289 8.643 8.280 0.266 0.085 0.446 375 E N 3.550 123.599 120.200 -0.251 0.000 2.393 375 E HA 0.815 nan 4.350 nan 0.000 0.273 375 E C -2.555 173.911 176.600 -0.223 0.000 0.918 375 E CA -2.188 54.181 56.400 -0.052 0.000 0.773 375 E CB 4.926 34.658 29.700 0.055 0.000 1.275 375 E HN 0.196 8.103 8.360 -0.755 0.000 0.451 376 T N -5.060 109.482 114.554 -0.020 0.000 2.906 376 T HA 0.991 nan 4.350 nan 0.000 0.295 376 T C -1.817 172.942 174.700 0.099 0.000 1.075 376 T CA -2.079 59.952 62.100 -0.114 0.000 1.005 376 T CB 2.835 71.817 68.868 0.190 0.000 1.136 376 T HN 0.404 8.738 8.240 0.157 0.000 0.498 377 F N -5.056 115.017 119.950 0.205 0.000 2.842 377 F HA 0.680 nan 4.527 nan 0.000 0.319 377 F C -2.778 172.947 175.800 -0.125 0.000 1.159 377 F CA -1.104 56.962 58.000 0.109 0.000 0.902 377 F CB 1.603 40.595 39.000 -0.013 0.000 1.311 377 F HN 0.127 8.248 8.300 -0.298 0.000 0.453 378 K N -1.000 119.270 120.400 -0.218 0.000 2.123 378 K HA 0.720 nan 4.320 nan 0.000 0.259 378 K C -1.806 174.662 176.600 -0.220 0.000 0.960 378 K CA -1.991 53.844 56.287 -0.753 0.000 0.872 378 K CB 3.266 35.066 32.500 -1.167 0.000 1.079 378 K HN 0.404 8.623 8.250 -0.052 0.000 0.440 379 V N 4.606 124.396 119.914 -0.207 0.000 2.409 379 V HA 0.510 nan 4.120 nan 0.000 0.290 379 V C -0.569 175.453 176.094 -0.119 0.000 1.017 379 V CA -1.320 60.932 62.300 -0.080 0.000 0.841 379 V CB 1.674 33.506 31.823 0.014 0.000 1.003 379 V HN 0.515 8.406 8.190 -0.330 0.100 0.426 380 I N 7.045 127.550 120.570 -0.108 0.000 2.517 380 I HA -0.170 nan 4.170 nan 0.000 0.285 380 I C 0.529 176.618 176.117 -0.046 0.000 1.106 380 I CA 0.880 62.131 61.300 -0.083 0.000 1.402 380 I CB -0.566 37.390 38.000 -0.074 0.000 1.399 380 I HN 0.919 9.064 8.210 -0.108 0.000 0.535 381 G N 6.757 115.544 108.800 -0.021 0.000 2.184 381 G HA2 -0.427 nan 3.960 nan 0.000 0.264 381 G HA3 -0.427 nan 3.960 nan 0.000 0.264 381 G C 0.881 175.794 174.900 0.021 0.000 0.975 381 G CA 0.633 45.737 45.100 0.007 0.000 0.642 381 G HN 0.509 9.094 8.290 -0.026 -0.310 0.536 382 G N 0.426 109.238 108.800 0.020 0.000 2.485 382 G HA2 -0.336 nan 3.960 nan 0.000 0.221 382 G HA3 -0.336 nan 3.960 nan 0.000 0.221 382 G C -0.148 174.823 174.900 0.117 0.000 1.115 382 G CA 1.850 46.975 45.100 0.041 0.000 0.751 382 G HN -0.143 7.934 8.290 -0.010 0.207 0.567 383 W N 0.143 121.420 121.300 -0.037 0.000 2.539 383 W HA 0.037 nan 4.660 nan 0.000 0.299 383 W C 0.585 177.107 176.519 0.004 0.000 1.165 383 W CA 1.994 59.335 57.345 -0.007 0.000 1.400 383 W CB 1.347 30.812 29.460 0.009 0.000 1.123 383 W HN 0.035 8.211 8.180 0.238 0.146 0.533 384 S N -3.230 112.441 115.700 -0.048 0.000 2.535 384 S HA 0.047 nan 4.470 nan 0.000 0.214 384 S C 0.125 174.661 174.600 -0.107 0.000 0.980 384 S CA 1.627 59.744 58.200 -0.138 0.000 0.907 384 S CB 0.941 64.150 63.200 0.014 0.000 0.790 384 S HN -0.764 7.626 8.310 0.133 0.000 0.510 385 T N 0.400 114.908 114.554 -0.078 0.000 2.812 385 T HA 0.556 nan 4.350 nan 0.000 0.282 385 T C -2.872 171.783 174.700 -0.075 0.000 0.990 385 T CA -2.724 59.336 62.100 -0.067 0.000 0.960 385 T CB 1.288 70.132 68.868 -0.039 0.000 0.948 385 T HN -0.164 8.041 8.240 -0.058 0.000 0.438 386 P HA -0.284 nan 4.420 nan 0.000 0.260 386 P C -0.503 176.760 177.300 -0.061 0.000 1.172 386 P CA 0.855 63.911 63.100 -0.074 0.000 0.760 386 P CB -0.438 31.221 31.700 -0.068 0.000 0.773 387 N N 2.620 121.285 118.700 -0.059 0.000 2.732 387 N HA -0.433 nan 4.740 nan 0.000 0.250 387 N C -0.452 175.030 175.510 -0.046 0.000 1.097 387 N CA 0.892 53.912 53.050 -0.051 0.000 0.812 387 N CB -0.068 38.388 38.487 -0.051 0.000 1.148 387 N HN 0.220 8.562 8.380 -0.063 0.000 0.572 388 S N -1.206 114.467 115.700 -0.044 0.000 2.596 388 S HA -0.137 nan 4.470 nan 0.000 0.298 388 S C 0.206 174.780 174.600 -0.045 0.000 1.255 388 S CA 1.325 59.500 58.200 -0.042 0.000 1.083 388 S CB 0.351 63.530 63.200 -0.036 0.000 0.837 388 S HN -0.526 7.700 8.310 -0.046 0.056 0.499 389 K N 4.964 125.330 120.400 -0.057 0.000 2.726 389 K HA 0.129 nan 4.320 nan 0.000 0.209 389 K C -0.537 176.002 176.600 -0.102 0.000 1.082 389 K CA -0.899 55.342 56.287 -0.076 0.000 1.081 389 K CB 0.087 32.541 32.500 -0.078 0.000 0.830 389 K HN 0.210 8.426 8.250 -0.056 0.000 0.470 390 S N 2.722 118.369 115.700 -0.089 0.000 2.409 390 S HA 0.090 nan 4.470 nan 0.000 0.308 390 S C -1.839 172.686 174.600 -0.125 0.000 1.080 390 S CA -0.193 57.947 58.200 -0.100 0.000 1.081 390 S CB 0.246 63.402 63.200 -0.075 0.000 1.009 390 S HN -0.087 8.180 8.310 -0.072 0.000 0.502 391 Q N 6.583 126.275 119.800 -0.180 0.000 2.260 391 Q HA 0.719 nan 4.340 nan 0.000 0.238 391 Q C -1.336 174.576 176.000 -0.147 0.000 0.948 391 Q CA -0.472 55.191 55.803 -0.233 0.000 0.895 391 Q CB 2.051 30.512 28.738 -0.462 0.000 1.218 391 Q HN 0.062 8.221 8.270 -0.185 0.000 0.470 392 I N 1.948 122.460 120.570 -0.097 0.000 2.961 392 I HA 0.220 nan 4.170 nan 0.000 0.303 392 I C -2.010 174.130 176.117 0.038 0.000 1.505 392 I CA -0.113 61.164 61.300 -0.039 0.000 0.964 392 I CB 3.111 41.078 38.000 -0.054 0.000 1.348 392 I HN 0.009 8.174 8.210 -0.076 0.000 0.508 393 N N -0.612 118.161 118.700 0.121 0.000 2.735 393 N HA -0.331 nan 4.740 nan 0.000 0.248 393 N C -2.001 173.722 175.510 0.356 0.000 1.083 393 N CA 0.756 53.969 53.050 0.271 0.000 0.703 393 N CB -1.251 37.447 38.487 0.352 0.000 1.005 393 N HN 0.136 8.574 8.380 0.096 0.000 0.550 394 R N -0.921 119.748 120.500 0.283 0.000 2.643 394 R HA -0.181 nan 4.340 nan 0.000 0.270 394 R C -1.335 175.171 176.300 0.342 0.000 1.061 394 R CA 0.805 57.108 56.100 0.337 0.000 1.107 394 R CB 0.492 30.927 30.300 0.225 0.000 0.999 394 R HN -0.543 7.844 8.270 0.195 0.000 0.460 395 Q N 1.845 121.849 119.800 0.340 0.000 2.315 395 Q HA 0.236 nan 4.340 nan 0.000 0.273 395 Q C -1.615 174.549 176.000 0.273 0.000 1.053 395 Q CA -1.112 54.883 55.803 0.321 0.000 0.817 395 Q CB 4.285 33.216 28.738 0.321 0.000 1.326 395 Q HN 0.095 8.573 8.270 0.346 0.000 0.423 396 V N 3.009 123.080 119.914 0.261 0.000 2.465 396 V HA 0.358 nan 4.120 nan 0.000 0.279 396 V C -0.528 175.745 176.094 0.298 0.000 1.045 396 V CA 0.135 62.576 62.300 0.234 0.000 0.938 396 V CB 0.250 32.185 31.823 0.186 0.000 0.986 396 V HN 0.672 9.025 8.190 0.272 0.000 0.467 397 I N 5.469 126.211 120.570 0.287 0.000 3.172 397 I HA 0.269 nan 4.170 nan 0.000 0.278 397 I C -0.659 175.689 176.117 0.385 0.000 1.174 397 I CA 0.256 61.719 61.300 0.272 0.000 1.445 397 I CB 1.409 39.489 38.000 0.134 0.000 1.175 397 I HN 0.348 8.727 8.210 0.281 0.000 0.447 398 V N -0.764 119.343 119.914 0.321 0.000 2.668 398 V HA 0.237 nan 4.120 nan 0.000 0.304 398 V C -1.778 174.440 176.094 0.207 0.000 1.071 398 V CA -1.734 60.730 62.300 0.274 0.000 0.894 398 V CB 2.916 34.901 31.823 0.270 0.000 1.008 398 V HN -0.431 7.946 8.190 0.312 0.000 0.425 399 D N 5.391 125.882 120.400 0.151 0.000 2.368 399 D HA 0.021 nan 4.640 nan 0.000 0.240 399 D C 0.378 176.742 176.300 0.106 0.000 1.169 399 D CA 0.221 54.288 54.000 0.111 0.000 0.906 399 D CB 1.627 42.471 40.800 0.074 0.000 1.187 399 D HN 0.053 8.507 8.370 0.140 0.000 0.435 400 S N -2.293 113.459 115.700 0.087 0.000 2.493 400 S HA -0.348 nan 4.470 nan 0.000 0.243 400 S C 0.495 175.133 174.600 0.064 0.000 0.991 400 S CA 2.271 60.516 58.200 0.075 0.000 0.957 400 S CB -0.303 62.931 63.200 0.058 0.000 0.756 400 S HN 0.286 8.643 8.310 0.079 0.000 0.521 401 D N -1.378 119.058 120.400 0.060 0.000 2.349 401 D HA 0.166 nan 4.640 nan 0.000 0.214 401 D C -0.518 175.815 176.300 0.055 0.000 1.063 401 D CA 0.788 54.816 54.000 0.048 0.000 0.847 401 D CB 0.615 41.436 40.800 0.036 0.000 0.933 401 D HN -0.569 7.983 8.370 0.063 -0.144 0.513 402 N N -1.002 117.744 118.700 0.077 0.000 2.292 402 N HA 0.236 nan 4.740 nan 0.000 0.303 402 N C -1.431 174.143 175.510 0.107 0.000 1.140 402 N CA -0.749 52.354 53.050 0.088 0.000 0.788 402 N CB 3.022 41.572 38.487 0.104 0.000 1.361 402 N HN -0.114 8.148 8.380 0.087 0.170 0.489 403 R N -0.149 120.414 120.500 0.105 0.000 2.539 403 R HA 0.130 nan 4.340 nan 0.000 0.275 403 R C -0.604 175.788 176.300 0.154 0.000 1.077 403 R CA 0.487 56.658 56.100 0.119 0.000 1.097 403 R CB 0.651 31.012 30.300 0.101 0.000 1.018 403 R HN 0.389 8.715 8.270 0.094 0.000 0.483 404 S N 1.057 116.863 115.700 0.177 0.000 3.379 404 S HA 0.342 nan 4.470 nan 0.000 0.273 404 S C -1.163 173.563 174.600 0.210 0.000 1.027 404 S CA -1.226 57.099 58.200 0.207 0.000 1.098 404 S CB 2.893 66.262 63.200 0.282 0.000 1.317 404 S HN 0.128 8.438 8.310 0.168 0.101 0.715 405 G N -0.787 108.167 108.800 0.256 0.000 2.539 405 G HA2 0.026 nan 3.960 nan 0.000 0.138 405 G HA3 0.026 nan 3.960 nan 0.000 0.138 405 G C -1.925 173.235 174.900 0.432 0.000 1.148 405 G CA 0.283 45.570 45.100 0.312 0.000 1.057 405 G HN -0.386 8.065 8.290 0.267 0.000 0.511 406 Y N 1.779 122.202 120.300 0.204 0.000 2.335 406 Y HA 0.101 nan 4.550 nan 0.000 0.348 406 Y C -0.378 175.644 175.900 0.204 0.000 1.280 406 Y CA -0.770 57.467 58.100 0.229 0.000 1.504 406 Y CB 0.607 39.233 38.460 0.278 0.000 1.366 406 Y HN -0.293 8.548 8.280 0.546 -0.234 0.621 407 S N -2.102 113.746 115.700 0.247 0.000 2.547 407 S HA 0.546 nan 4.470 nan 0.000 0.270 407 S C -1.423 173.100 174.600 -0.130 0.000 1.150 407 S CA -1.471 56.710 58.200 -0.032 0.000 0.850 407 S CB 3.714 67.012 63.200 0.163 0.000 1.118 407 S HN -0.214 8.216 8.310 0.201 0.000 0.461 408 G N -1.195 107.187 108.800 -0.697 0.000 2.608 408 G HA2 0.375 nan 3.960 nan 0.000 0.291 408 G HA3 0.375 nan 3.960 nan 0.000 0.291 408 G C -3.301 171.384 174.900 -0.359 0.000 1.425 408 G CA -0.344 44.626 45.100 -0.216 0.000 0.787 408 G HN -0.266 7.272 8.290 -1.254 0.000 0.484 409 I N -0.672 119.893 120.570 -0.008 0.000 2.822 409 I HA 0.961 nan 4.170 nan 0.000 0.312 409 I C -2.391 173.855 176.117 0.216 0.000 1.011 409 I CA -2.255 58.987 61.300 -0.097 0.000 1.105 409 I CB 2.853 40.847 38.000 -0.008 0.000 1.291 409 I HN 0.289 8.604 8.210 0.174 0.000 0.474 410 F N 0.871 120.794 119.950 -0.045 0.000 2.665 410 F HA 0.546 nan 4.527 nan 0.000 0.308 410 F C -2.771 172.990 175.800 -0.064 0.000 1.112 410 F CA -1.756 56.268 58.000 0.039 0.000 0.972 410 F CB 2.917 42.020 39.000 0.172 0.000 1.295 410 F HN 0.267 8.374 8.300 -0.322 0.000 0.440 411 S N 1.096 116.853 115.700 0.096 0.000 2.472 411 S HA 0.687 nan 4.470 nan 0.000 0.303 411 S C -1.202 173.545 174.600 0.245 0.000 1.099 411 S CA -0.465 57.711 58.200 -0.040 0.000 1.077 411 S CB 2.135 65.168 63.200 -0.279 0.000 1.031 411 S HN -0.077 8.527 8.310 0.215 -0.165 0.487 412 V N -0.378 119.645 119.914 0.182 0.000 2.540 412 V HA 0.441 nan 4.120 nan 0.000 0.302 412 V C -1.384 174.846 176.094 0.227 0.000 1.035 412 V CA -2.763 59.694 62.300 0.262 0.000 0.873 412 V CB 3.395 35.307 31.823 0.149 0.000 0.992 412 V HN 0.240 8.441 8.190 0.019 0.000 0.428 413 E N 5.363 125.679 120.200 0.193 0.000 2.324 413 E HA 0.035 nan 4.350 nan 0.000 0.271 413 E C -0.379 176.233 176.600 0.020 0.000 1.028 413 E CA 0.408 56.851 56.400 0.072 0.000 0.890 413 E CB 0.809 30.428 29.700 -0.134 0.000 1.004 413 E HN 0.460 8.905 8.360 0.141 0.000 0.431 414 G N 3.915 112.724 108.800 0.014 0.000 2.601 414 G HA2 0.341 nan 3.960 nan 0.000 0.317 414 G HA3 0.341 nan 3.960 nan 0.000 0.317 414 G C -0.654 174.237 174.900 -0.015 0.000 1.246 414 G CA -1.814 43.281 45.100 -0.008 0.000 1.012 414 G HN 0.278 8.587 8.290 0.031 0.000 0.494 415 K N 0.566 120.956 120.400 -0.017 0.000 2.057 415 K HA -0.324 nan 4.320 nan 0.000 0.207 415 K C 0.781 177.372 176.600 -0.015 0.000 1.049 415 K CA 3.063 59.339 56.287 -0.019 0.000 0.931 415 K CB 0.159 32.650 32.500 -0.015 0.000 0.714 415 K HN 0.502 8.742 8.250 -0.016 0.000 0.440 416 S N -5.241 110.453 115.700 -0.009 0.000 2.502 416 S HA -0.011 nan 4.470 nan 0.000 0.228 416 S C -0.297 174.305 174.600 0.003 0.000 1.061 416 S CA 0.867 59.065 58.200 -0.004 0.000 0.935 416 S CB 0.522 63.721 63.200 -0.002 0.000 0.809 416 S HN -0.066 8.224 8.310 -0.010 0.014 0.510 417 c N -2.860 115.744 118.600 0.006 0.000 3.318 417 c HA 0.748 nan 4.570 nan 0.000 0.329 417 c C -2.174 171.933 174.090 0.029 0.000 1.449 417 c CA -3.063 53.276 56.329 0.018 0.000 1.397 417 c CB 3.813 46.330 42.510 0.011 0.000 1.810 417 c HN -0.741 7.489 8.230 -0.000 0.000 0.449 418 I N -3.213 117.385 120.570 0.048 0.000 2.378 418 I HA 0.618 nan 4.170 nan 0.000 0.291 418 I C -2.315 173.784 176.117 -0.030 0.000 0.992 418 I CA -1.595 59.752 61.300 0.078 0.000 1.154 418 I CB 1.862 40.008 38.000 0.244 0.000 1.315 418 I HN 0.505 8.741 8.210 0.044 0.000 0.448 419 N N 5.834 124.492 118.700 -0.071 0.000 2.458 419 N HA 0.246 nan 4.740 nan 0.000 0.271 419 N C -1.734 173.590 175.510 -0.310 0.000 1.210 419 N CA -0.782 52.156 53.050 -0.187 0.000 0.978 419 N CB 2.607 40.989 38.487 -0.176 0.000 1.206 419 N HN 0.271 8.640 8.380 -0.018 0.000 0.536 420 R N -0.724 119.500 120.500 -0.460 0.000 2.621 420 R HA 0.753 nan 4.340 nan 0.000 0.292 420 R C -1.364 174.582 176.300 -0.590 0.000 0.969 420 R CA -1.259 54.456 56.100 -0.642 0.000 0.887 420 R CB 2.107 31.717 30.300 -1.150 0.000 1.180 420 R HN 0.315 8.346 8.270 -0.399 0.000 0.450 421 c N 0.129 118.227 118.600 -0.837 0.000 3.213 421 c HA 1.009 nan 4.570 nan 0.000 0.319 421 c C -1.935 171.558 174.090 -0.996 0.000 1.386 421 c CA -1.466 54.261 56.329 -1.003 0.000 1.494 421 c CB 4.218 45.783 42.510 -1.575 0.000 1.905 421 c HN 0.889 8.599 8.230 -0.866 0.000 0.456 422 F N -3.545 115.873 119.950 -0.886 0.000 2.686 422 F HA 0.964 nan 4.527 nan 0.000 0.311 422 F C -3.384 172.320 175.800 -0.160 0.000 1.128 422 F CA -1.862 55.700 58.000 -0.729 0.000 0.946 422 F CB 2.655 40.772 39.000 -1.472 0.000 1.336 422 F HN 0.632 8.398 8.300 -0.890 0.000 0.457 423 Y N -4.576 115.795 120.300 0.118 0.000 2.602 423 Y HA 0.915 nan 4.550 nan 0.000 0.342 423 Y C -2.795 173.183 175.900 0.130 0.000 1.029 423 Y CA -2.926 55.232 58.100 0.097 0.000 1.080 423 Y CB 2.782 41.349 38.460 0.179 0.000 1.284 423 Y HN 0.021 7.977 8.280 -0.540 0.000 0.485 424 V N -2.136 117.892 119.914 0.190 0.000 2.668 424 V HA 0.510 nan 4.120 nan 0.000 0.304 424 V C -2.403 173.826 176.094 0.224 0.000 1.071 424 V CA -2.309 60.025 62.300 0.057 0.000 0.894 424 V CB 3.444 35.054 31.823 -0.355 0.000 1.008 424 V HN 0.376 8.704 8.190 0.230 0.000 0.425 425 E N 8.018 128.399 120.200 0.301 0.000 2.316 425 E HA 0.287 nan 4.350 nan 0.000 0.275 425 E C -1.011 175.713 176.600 0.208 0.000 1.029 425 E CA -0.696 55.870 56.400 0.278 0.000 0.871 425 E CB 1.568 31.458 29.700 0.317 0.000 1.022 425 E HN 0.130 8.670 8.360 0.300 0.000 0.418 426 L N 6.977 128.310 121.223 0.183 0.000 2.337 426 L HA 0.341 nan 4.340 nan 0.000 0.269 426 L C -0.810 176.157 176.870 0.162 0.000 1.018 426 L CA -1.854 53.087 54.840 0.169 0.000 0.876 426 L CB 0.030 42.188 42.059 0.164 0.000 1.236 426 L HN 0.141 8.478 8.230 0.179 0.000 0.436 427 I N 2.672 123.334 120.570 0.152 0.000 2.662 427 I HA 0.413 nan 4.170 nan 0.000 0.291 427 I C -1.321 174.880 176.117 0.139 0.000 1.046 427 I CA -0.878 60.508 61.300 0.143 0.000 1.361 427 I CB 1.528 39.592 38.000 0.107 0.000 1.429 427 I HN -0.164 8.138 8.210 0.153 0.000 0.558 428 R N 3.724 124.328 120.500 0.173 0.000 2.808 428 R HA 0.530 nan 4.340 nan 0.000 0.272 428 R C -1.020 175.316 176.300 0.060 0.000 0.995 428 R CA -2.515 53.671 56.100 0.143 0.000 0.917 428 R CB 3.635 34.104 30.300 0.282 0.000 1.217 428 R HN 0.673 9.072 8.270 0.215 0.000 0.471 429 G N -0.032 108.641 108.800 -0.212 0.000 2.500 429 G HA2 -0.382 nan 3.960 nan 0.000 0.209 429 G HA3 -0.382 nan 3.960 nan 0.000 0.209 429 G C -1.203 173.528 174.900 -0.283 0.000 1.283 429 G CA -0.613 44.196 45.100 -0.485 0.000 0.960 429 G HN -0.242 8.166 8.290 -0.180 -0.226 0.528 430 R N 0.405 120.738 120.500 -0.278 0.000 2.694 430 R HA -0.112 nan 4.340 nan 0.000 0.268 430 R C 0.805 177.038 176.300 -0.112 0.000 1.061 430 R CA 0.511 56.490 56.100 -0.202 0.000 1.133 430 R CB 0.425 30.602 30.300 -0.205 0.000 1.020 430 R HN 0.217 8.192 8.270 -0.317 0.104 0.475 431 K N 1.754 122.099 120.400 -0.092 0.000 2.305 431 K HA -0.120 nan 4.320 nan 0.000 0.199 431 K C 1.682 178.212 176.600 -0.117 0.000 1.047 431 K CA 2.473 58.693 56.287 -0.113 0.000 0.976 431 K CB -0.053 32.401 32.500 -0.076 0.000 0.765 431 K HN 0.383 8.597 8.250 -0.061 0.000 0.474 432 Q N 0.239 119.986 119.800 -0.088 0.000 2.030 432 Q HA -0.256 nan 4.340 nan 0.000 0.204 432 Q C 0.921 176.853 176.000 -0.114 0.000 0.986 432 Q CA 2.282 58.038 55.803 -0.077 0.000 0.843 432 Q CB 0.355 29.068 28.738 -0.040 0.000 0.904 432 Q HN 0.078 8.305 8.270 -0.071 0.000 0.420 433 E N -1.610 118.497 120.200 -0.154 0.000 2.156 433 E HA 0.086 nan 4.350 nan 0.000 0.279 433 E C -1.050 175.385 176.600 -0.276 0.000 0.965 433 E CA -0.468 55.817 56.400 -0.192 0.000 0.789 433 E CB 0.737 30.318 29.700 -0.199 0.000 1.098 433 E HN -0.270 7.896 8.360 -0.162 0.097 0.397 434 T N 4.045 118.440 114.554 -0.265 0.000 3.044 434 T HA 0.186 nan 4.350 nan 0.000 0.250 434 T C 1.457 175.927 174.700 -0.383 0.000 1.081 434 T CA 1.729 63.624 62.100 -0.341 0.000 1.040 434 T CB 0.399 69.113 68.868 -0.257 0.000 0.962 434 T HN 0.607 8.722 8.240 -0.210 0.000 0.506 435 R N 1.404 121.734 120.500 -0.283 0.000 2.081 435 R HA -0.199 nan 4.340 nan 0.000 0.235 435 R C -0.930 175.236 176.300 -0.223 0.000 1.131 435 R CA 2.333 58.309 56.100 -0.206 0.000 0.960 435 R CB 0.115 30.344 30.300 -0.118 0.000 0.856 435 R HN -0.054 8.066 8.270 -0.249 0.000 0.436 436 V N -7.595 112.120 119.914 -0.331 0.000 2.863 436 V HA 0.187 nan 4.120 nan 0.000 0.307 436 V C -0.016 175.812 176.094 -0.443 0.000 1.061 436 V CA -3.149 58.948 62.300 -0.338 0.000 1.024 436 V CB 1.812 33.175 31.823 -0.767 0.000 1.049 436 V HN -0.566 7.365 8.190 -0.398 0.021 0.471 437 W N -0.550 120.607 121.300 -0.238 0.000 3.239 437 W HA 0.330 nan 4.660 nan 0.000 0.348 437 W C -1.193 175.294 176.519 -0.054 0.000 1.183 437 W CA 0.020 57.295 57.345 -0.117 0.000 1.819 437 W CB 0.375 29.837 29.460 0.003 0.000 1.091 437 W HN 0.198 8.584 8.180 0.343 0.000 0.629 438 W N -4.786 116.627 121.300 0.187 0.000 2.492 438 W HA 0.769 nan 4.660 nan 0.000 0.373 438 W C -2.010 174.548 176.519 0.066 0.000 1.323 438 W CA -2.044 55.374 57.345 0.122 0.000 1.406 438 W CB 1.653 31.180 29.460 0.111 0.000 1.398 438 W HN -0.941 6.771 8.180 -0.675 0.063 0.671 439 T N 0.903 115.731 114.554 0.456 0.000 2.971 439 T HA 0.657 nan 4.350 nan 0.000 0.304 439 T C -1.689 173.280 174.700 0.448 0.000 1.038 439 T CA 0.058 62.341 62.100 0.305 0.000 1.007 439 T CB 2.519 71.459 68.868 0.120 0.000 1.055 439 T HN -0.158 8.379 8.240 0.494 0.000 0.451 440 S N 3.848 119.823 115.700 0.458 0.000 2.727 440 S HA 0.577 nan 4.470 nan 0.000 0.278 440 S C -2.412 172.337 174.600 0.249 0.000 1.186 440 S CA -1.441 56.940 58.200 0.302 0.000 0.836 440 S CB 2.137 65.461 63.200 0.206 0.000 1.186 440 S HN 0.899 9.474 8.310 0.441 0.000 0.499 441 N N -1.847 116.966 118.700 0.189 0.000 2.732 441 N HA 0.668 nan 4.740 nan 0.000 0.259 441 N C -2.212 173.392 175.510 0.157 0.000 1.402 441 N CA -0.608 52.546 53.050 0.173 0.000 0.829 441 N CB 4.242 42.819 38.487 0.150 0.000 1.495 441 N HN -0.000 8.481 8.380 0.169 0.000 0.511 442 S N -3.219 112.569 115.700 0.147 0.000 2.740 442 S HA 0.644 nan 4.470 nan 0.000 0.300 442 S C -1.558 173.114 174.600 0.121 0.000 1.147 442 S CA -1.379 56.890 58.200 0.116 0.000 0.871 442 S CB 3.462 66.723 63.200 0.101 0.000 1.173 442 S HN 0.124 8.527 8.310 0.155 0.000 0.510 443 I N -7.010 113.614 120.570 0.090 0.000 3.042 443 I HA 0.985 nan 4.170 nan 0.000 0.310 443 I C -2.300 173.875 176.117 0.096 0.000 1.117 443 I CA -1.810 59.560 61.300 0.116 0.000 1.003 443 I CB 4.069 42.125 38.000 0.093 0.000 1.228 443 I HN -0.194 8.284 8.210 0.051 -0.237 0.443 444 V N 1.014 121.004 119.914 0.127 0.000 2.888 444 V HA 0.771 nan 4.120 nan 0.000 0.309 444 V C -3.089 173.073 176.094 0.113 0.000 1.114 444 V CA -1.911 60.457 62.300 0.113 0.000 0.940 444 V CB 3.841 35.779 31.823 0.191 0.000 1.021 444 V HN -0.236 8.054 8.190 0.166 0.000 0.426 445 V N 5.660 125.610 119.914 0.061 0.000 2.888 445 V HA 1.006 nan 4.120 nan 0.000 0.309 445 V C -2.787 173.272 176.094 -0.059 0.000 1.114 445 V CA -2.265 60.068 62.300 0.054 0.000 0.940 445 V CB 3.921 35.900 31.823 0.259 0.000 1.021 445 V HN 0.487 8.659 8.190 -0.029 0.000 0.426 446 F N 4.491 124.055 119.950 -0.643 0.000 2.593 446 F HA 0.857 nan 4.527 nan 0.000 0.320 446 F C -1.586 173.866 175.800 -0.580 0.000 1.060 446 F CA -2.668 54.973 58.000 -0.598 0.000 0.940 446 F CB 4.849 43.376 39.000 -0.788 0.000 1.268 446 F HN 0.132 8.054 8.300 -0.630 0.000 0.475 447 c N 0.131 118.572 118.600 -0.265 0.000 2.707 447 c HA 0.763 nan 4.570 nan 0.000 0.313 447 c C -0.540 173.543 174.090 -0.011 0.000 1.209 447 c CA -1.274 54.847 56.329 -0.348 0.000 1.635 447 c CB 4.338 46.423 42.510 -0.709 0.000 2.206 447 c HN 0.661 8.773 8.230 -0.197 0.000 0.485 448 G N 1.277 110.075 108.800 -0.003 0.000 2.554 448 G HA2 0.206 nan 3.960 nan 0.000 0.238 448 G HA3 0.206 nan 3.960 nan 0.000 0.238 448 G C -1.706 173.064 174.900 -0.217 0.000 1.259 448 G CA 1.005 46.023 45.100 -0.137 0.000 0.843 448 G HN -0.009 8.241 8.290 -0.149 -0.050 0.582 449 T N -0.045 114.345 114.554 -0.273 0.000 2.916 449 T HA 0.342 nan 4.350 nan 0.000 0.305 449 T C -0.932 173.704 174.700 -0.107 0.000 1.119 449 T CA -1.099 60.917 62.100 -0.141 0.000 1.008 449 T CB 1.737 70.571 68.868 -0.057 0.000 1.129 449 T HN 0.170 8.140 8.240 -0.450 0.000 0.480 450 S N 4.158 119.834 115.700 -0.040 0.000 2.539 450 S HA 0.388 nan 4.470 nan 0.000 0.221 450 S C 0.582 175.206 174.600 0.039 0.000 0.987 450 S CA -0.558 57.642 58.200 -0.001 0.000 0.929 450 S CB 0.691 63.888 63.200 -0.005 0.000 0.832 450 S HN 0.402 8.691 8.310 -0.036 0.000 0.492 451 G N 3.350 112.184 108.800 0.057 0.000 2.695 451 G HA2 0.181 nan 3.960 nan 0.000 0.213 451 G HA3 0.181 nan 3.960 nan 0.000 0.213 451 G C -1.444 173.522 174.900 0.111 0.000 1.406 451 G CA -0.596 44.545 45.100 0.068 0.000 1.049 451 G HN -0.419 7.826 8.290 0.052 0.076 0.573 452 T N -0.399 114.206 114.554 0.085 0.000 2.936 452 T HA 0.420 nan 4.350 nan 0.000 0.282 452 T C -1.485 173.299 174.700 0.140 0.000 1.003 452 T CA -0.730 61.374 62.100 0.007 0.000 1.005 452 T CB 1.736 70.579 68.868 -0.040 0.000 1.097 452 T HN -0.161 8.122 8.240 0.072 0.000 0.532 453 Y N -3.433 116.921 120.300 0.089 0.000 2.725 453 Y HA 0.451 nan 4.550 nan 0.000 0.333 453 Y C -1.452 174.537 175.900 0.147 0.000 1.242 453 Y CA -0.819 57.358 58.100 0.128 0.000 1.059 453 Y CB 0.486 39.038 38.460 0.154 0.000 1.306 453 Y HN -0.064 7.943 8.280 -0.455 0.000 0.454 454 G N 0.688 109.713 108.800 0.376 0.000 3.341 454 G HA2 0.248 nan 3.960 nan 0.000 0.177 454 G HA3 0.248 nan 3.960 nan 0.000 0.177 454 G C -1.589 173.545 174.900 0.389 0.000 1.236 454 G CA -0.289 44.972 45.100 0.269 0.000 0.888 454 G HN 0.174 8.770 8.290 0.509 0.000 0.644 455 T N -0.688 114.047 114.554 0.302 0.000 2.887 455 T HA 0.307 nan 4.350 nan 0.000 0.292 455 T C -1.313 173.477 174.700 0.149 0.000 1.087 455 T CA -0.250 62.013 62.100 0.272 0.000 1.009 455 T CB 1.297 70.270 68.868 0.174 0.000 1.203 455 T HN -0.238 8.147 8.240 0.241 0.000 0.518 456 G N 1.485 110.270 108.800 -0.025 0.000 2.317 456 G HA2 0.009 nan 3.960 nan 0.000 0.293 456 G HA3 0.009 nan 3.960 nan 0.000 0.293 456 G C -3.346 171.236 174.900 -0.531 0.000 1.287 456 G CA 0.842 45.592 45.100 -0.583 0.000 0.850 456 G HN -0.017 8.344 8.290 0.120 0.000 0.515 457 S N -0.911 114.323 115.700 -0.776 0.000 2.603 457 S HA 0.391 nan 4.470 nan 0.000 0.274 457 S C -1.660 172.812 174.600 -0.214 0.000 1.168 457 S CA -0.460 57.632 58.200 -0.180 0.000 0.963 457 S CB 1.472 64.637 63.200 -0.059 0.000 1.078 457 S HN -0.158 7.467 8.310 -1.141 0.000 0.477 458 W N 6.108 127.520 121.300 0.186 0.000 2.317 458 W HA 0.355 nan 4.660 nan 0.000 0.290 458 W C -1.639 174.973 176.519 0.155 0.000 0.937 458 W CA -2.301 55.154 57.345 0.182 0.000 1.790 458 W CB 1.199 30.813 29.460 0.258 0.000 1.847 458 W HN 0.556 9.181 8.180 0.743 0.000 0.411 459 P HA 0.058 nan 4.420 nan 0.000 0.286 459 P C -1.031 176.382 177.300 0.188 0.000 1.293 459 P CA -0.406 62.819 63.100 0.208 0.000 0.770 459 P CB 1.202 32.989 31.700 0.146 0.000 1.206 460 D N -0.412 120.083 120.400 0.157 0.000 2.084 460 D HA -0.316 nan 4.640 nan 0.000 0.194 460 D C 1.460 177.836 176.300 0.126 0.000 0.990 460 D CA 2.774 56.859 54.000 0.142 0.000 0.826 460 D CB 0.315 41.199 40.800 0.140 0.000 0.971 460 D HN 0.450 8.911 8.370 0.152 0.000 0.453 461 G N -2.477 106.389 108.800 0.110 0.000 2.213 461 G HA2 -0.374 nan 3.960 nan 0.000 0.236 461 G HA3 -0.374 nan 3.960 nan 0.000 0.236 461 G C -0.462 174.488 174.900 0.084 0.000 0.991 461 G CA -0.260 44.896 45.100 0.093 0.000 0.629 461 G HN 0.110 8.463 8.290 0.105 0.000 0.517 462 A N 1.619 124.496 122.820 0.095 0.000 2.440 462 A HA -0.033 nan 4.320 nan 0.000 0.251 462 A C -1.337 176.260 177.584 0.022 0.000 1.089 462 A CA -0.079 52.016 52.037 0.096 0.000 0.779 462 A CB 0.333 19.421 19.000 0.146 0.000 1.022 462 A HN -0.322 8.150 8.150 0.108 -0.257 0.492 463 N N 3.342 121.997 118.700 -0.076 0.000 2.408 463 N HA 0.026 nan 4.740 nan 0.000 0.257 463 N C 1.222 176.578 175.510 -0.257 0.000 1.064 463 N CA -1.253 51.606 53.050 -0.317 0.000 0.952 463 N CB 0.727 38.684 38.487 -0.884 0.000 1.093 463 N HN 0.286 8.661 8.380 -0.009 0.000 0.490 464 I N 6.708 127.195 120.570 -0.139 0.000 2.502 464 I HA -0.469 nan 4.170 nan 0.000 0.258 464 I C 0.774 176.859 176.117 -0.053 0.000 1.172 464 I CA 1.971 63.238 61.300 -0.054 0.000 1.430 464 I CB -0.248 37.707 38.000 -0.074 0.000 1.086 464 I HN 0.592 8.724 8.210 -0.129 0.000 0.440 465 N N -0.539 118.058 118.700 -0.172 0.000 2.467 465 N HA -0.160 nan 4.740 nan 0.000 0.184 465 N C 1.594 177.208 175.510 0.173 0.000 1.106 465 N CA 2.574 55.594 53.050 -0.050 0.000 0.892 465 N CB 0.076 38.511 38.487 -0.087 0.000 0.969 465 N HN 0.137 8.639 8.380 -0.316 -0.312 0.454 466 F N -1.692 118.307 119.950 0.081 0.000 2.731 466 F HA 0.058 nan 4.527 nan 0.000 0.298 466 F C -0.344 175.519 175.800 0.105 0.000 1.106 466 F CA -1.322 56.725 58.000 0.078 0.000 1.329 466 F CB 0.250 39.290 39.000 0.067 0.000 1.100 466 F HN 0.125 8.195 8.300 -0.106 0.167 0.592 467 M N 0.826 120.606 119.600 0.300 0.000 2.243 467 M HA 0.205 nan 4.480 nan 0.000 0.341 467 M C -1.736 174.737 176.300 0.289 0.000 1.130 467 M CA -3.241 52.248 55.300 0.314 0.000 1.162 467 M CB -1.043 31.844 32.600 0.479 0.000 1.497 467 M HN -0.621 7.759 8.290 0.241 0.055 0.456 468 P HA 0.076 nan 4.420 nan 0.000 0.271 468 P C -0.723 176.815 177.300 0.397 0.000 1.233 468 P CA 0.234 63.477 63.100 0.238 0.000 0.789 468 P CB 0.207 31.986 31.700 0.132 0.000 0.951 469 I N 0.000 120.750 120.570 0.300 0.000 2.984 469 I HA 0.000 nan 4.170 nan 0.000 0.288 469 I CA 0.000 61.495 61.300 0.325 0.000 1.566 469 I CB 0.000 38.301 38.000 0.502 0.000 1.214 469 I HN 0.000 8.339 8.210 0.215 0.000 0.494