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 1ivg_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 0.000 176.027 176.094 -0.111 0.000 1.182 82 V CA 0.000 62.262 62.300 -0.064 0.000 1.235 82 V CB 0.000 31.800 31.823 -0.038 0.000 1.184 83 E N -0.286 119.848 120.200 -0.109 0.000 2.334 83 E HA 0.378 nan 4.350 nan 0.000 0.256 83 E C -2.059 174.484 176.600 -0.095 0.000 0.958 83 E CA -1.286 55.019 56.400 -0.158 0.000 0.821 83 E CB 2.549 32.196 29.700 -0.088 0.000 1.269 83 E HN -0.049 8.264 8.360 -0.078 0.000 0.413 84 Y N -1.318 118.968 120.300 -0.023 0.000 2.497 84 Y HA -0.155 nan 4.550 nan 0.000 0.334 84 Y C 0.129 175.985 175.900 -0.073 0.000 1.199 84 Y CA 0.057 58.142 58.100 -0.025 0.000 1.425 84 Y CB 0.672 39.134 38.460 0.004 0.000 1.291 84 Y HN 0.045 8.291 8.280 -0.056 0.000 0.562 85 R N 1.967 122.511 120.500 0.073 0.000 2.537 85 R HA -0.063 nan 4.340 nan 0.000 0.280 85 R C 0.339 176.559 176.300 -0.133 0.000 1.058 85 R CA 0.998 56.978 56.100 -0.199 0.000 1.057 85 R CB 0.527 30.586 30.300 -0.402 0.000 0.973 85 R HN 0.532 8.790 8.270 0.155 0.105 0.438 86 N N 1.949 120.524 118.700 -0.208 0.000 2.166 86 N HA -0.020 nan 4.740 nan 0.000 0.213 86 N C -0.020 175.487 175.510 -0.005 0.000 1.222 86 N CA -0.738 52.285 53.050 -0.044 0.000 0.900 86 N CB 0.528 38.957 38.487 -0.096 0.000 1.055 86 N HN 0.367 8.561 8.380 -0.309 0.000 0.515 87 W N -3.272 117.978 121.300 -0.084 0.000 6.351 87 W HA -0.330 nan 4.660 nan 0.000 0.403 87 W C -0.530 175.856 176.519 -0.222 0.000 1.540 87 W CA 0.532 57.833 57.345 -0.074 0.000 1.055 87 W CB -2.777 26.711 29.460 0.048 0.000 2.721 87 W HN -0.012 7.864 8.180 -0.506 0.000 1.542 88 S N 1.558 117.121 115.700 -0.229 0.000 3.489 88 S HA 0.117 nan 4.470 nan 0.000 0.227 88 S C -0.858 173.672 174.600 -0.118 0.000 1.360 88 S CA 0.587 58.572 58.200 -0.359 0.000 0.934 88 S CB -0.502 62.392 63.200 -0.509 0.000 1.410 88 S HN -0.035 8.372 8.310 -0.229 -0.234 0.483 89 K N 2.499 122.892 120.400 -0.012 0.000 2.578 89 K HA 0.318 nan 4.320 nan 0.000 0.269 89 K C -2.539 174.090 176.600 0.049 0.000 0.941 89 K CA -2.298 53.998 56.287 0.014 0.000 0.847 89 K CB 2.214 34.723 32.500 0.015 0.000 1.397 89 K HN -0.717 7.556 8.250 0.038 0.000 0.422 90 P HA -0.043 nan 4.420 nan 0.000 0.274 90 P C -1.326 175.991 177.300 0.028 0.000 1.260 90 P CA -0.450 62.676 63.100 0.043 0.000 0.793 90 P CB 0.844 32.564 31.700 0.034 0.000 1.048 91 Q N -1.711 118.099 119.800 0.017 0.000 2.299 91 Q HA 0.096 nan 4.340 nan 0.000 0.246 91 Q C -0.251 175.730 176.000 -0.031 0.000 0.935 91 Q CA -0.341 55.444 55.803 -0.030 0.000 0.887 91 Q CB 1.452 30.161 28.738 -0.047 0.000 1.223 91 Q HN 0.135 8.423 8.270 0.030 0.000 0.439 92 c N 4.505 123.062 118.600 -0.071 0.000 2.652 92 c HA -0.044 nan 4.570 nan 0.000 0.412 92 c C -0.148 173.916 174.090 -0.043 0.000 1.294 92 c CA 0.553 56.844 56.329 -0.062 0.000 2.127 92 c CB -0.135 42.314 42.510 -0.102 0.000 2.691 92 c HN 0.075 8.240 8.230 -0.110 0.000 0.615 93 Q N 1.948 121.742 119.800 -0.011 0.000 2.314 93 Q HA 0.102 nan 4.340 nan 0.000 0.257 93 Q C -0.913 175.083 176.000 -0.006 0.000 0.975 93 Q CA -0.326 55.497 55.803 0.035 0.000 0.933 93 Q CB 0.611 29.380 28.738 0.051 0.000 1.195 93 Q HN 0.138 8.401 8.270 -0.013 0.000 0.426 94 I N 0.246 120.801 120.570 -0.025 0.000 2.822 94 I HA 0.553 nan 4.170 nan 0.000 0.312 94 I C -0.469 175.614 176.117 -0.056 0.000 1.011 94 I CA -1.611 59.588 61.300 -0.168 0.000 1.105 94 I CB 2.961 40.652 38.000 -0.515 0.000 1.291 94 I HN -0.133 8.112 8.210 0.058 0.000 0.474 95 T N -4.410 110.096 114.554 -0.079 0.000 2.969 95 T HA 0.398 nan 4.350 nan 0.000 0.250 95 T C 0.403 175.202 174.700 0.165 0.000 1.021 95 T CA -0.443 61.741 62.100 0.140 0.000 1.003 95 T CB 2.268 71.239 68.868 0.170 0.000 1.040 95 T HN 0.761 8.916 8.240 -0.142 0.000 0.492 96 G N 1.234 109.873 108.800 -0.270 0.000 2.392 96 G HA2 0.108 nan 3.960 nan 0.000 0.260 96 G HA3 0.108 nan 3.960 nan 0.000 0.260 96 G C -3.478 170.838 174.900 -0.974 0.000 1.226 96 G CA 0.865 45.643 45.100 -0.537 0.000 0.913 96 G HN -0.806 7.243 8.290 -0.402 0.000 0.483 97 F N -1.517 118.166 119.950 -0.445 0.000 2.593 97 F HA 0.707 nan 4.527 nan 0.000 0.320 97 F C -1.605 174.091 175.800 -0.173 0.000 1.060 97 F CA -1.691 56.198 58.000 -0.186 0.000 0.940 97 F CB 4.504 43.568 39.000 0.106 0.000 1.268 97 F HN -0.796 7.363 8.300 -0.522 -0.172 0.475 98 A N 0.380 123.236 122.820 0.060 0.000 2.386 98 A HA 0.641 nan 4.320 nan 0.000 0.311 98 A C -3.395 173.828 177.584 -0.602 0.000 1.068 98 A CA -3.246 48.707 52.037 -0.140 0.000 0.743 98 A CB 1.828 20.771 19.000 -0.095 0.000 1.258 98 A HN 0.887 8.973 8.150 0.075 0.109 0.429 99 P HA 0.074 nan 4.420 nan 0.000 0.264 99 P C -1.739 175.175 177.300 -0.643 0.000 1.193 99 P CA 0.937 63.124 63.100 -1.522 0.000 0.763 99 P CB 0.210 31.205 31.700 -1.174 0.000 0.810 100 F N 5.074 124.578 119.950 -0.743 0.000 2.522 100 F HA 0.294 nan 4.527 nan 0.000 0.275 100 F C -0.558 175.079 175.800 -0.270 0.000 0.890 100 F CA -0.367 57.410 58.000 -0.372 0.000 1.157 100 F CB 2.775 41.637 39.000 -0.231 0.000 1.117 100 F HN 0.313 8.193 8.300 -0.701 0.000 0.787 101 S N -2.200 113.377 115.700 -0.204 0.000 2.607 101 S HA 0.246 nan 4.470 nan 0.000 0.273 101 S C -2.580 171.940 174.600 -0.132 0.000 1.148 101 S CA -0.542 57.510 58.200 -0.247 0.000 0.833 101 S CB 1.942 64.961 63.200 -0.303 0.000 1.130 101 S HN -0.410 7.846 8.310 -0.089 0.000 0.470 102 K N 2.642 122.973 120.400 -0.116 0.000 2.550 102 K HA 0.198 nan 4.320 nan 0.000 0.252 102 K C -1.492 175.070 176.600 -0.064 0.000 0.943 102 K CA -0.366 55.896 56.287 -0.041 0.000 0.806 102 K CB 2.165 34.669 32.500 0.007 0.000 1.289 102 K HN 0.168 8.326 8.250 -0.154 0.000 0.435 103 D N 4.810 125.176 120.400 -0.057 0.000 2.355 103 D HA -0.039 nan 4.640 nan 0.000 0.206 103 D C 0.660 176.933 176.300 -0.045 0.000 1.010 103 D CA 0.141 54.087 54.000 -0.091 0.000 0.875 103 D CB 0.271 40.973 40.800 -0.163 0.000 0.966 103 D HN 0.166 8.519 8.370 -0.028 0.000 0.512 104 N N -1.763 116.940 118.700 0.005 0.000 2.725 104 N HA -0.416 nan 4.740 nan 0.000 0.249 104 N C 0.505 176.031 175.510 0.027 0.000 1.103 104 N CA 0.584 53.652 53.050 0.031 0.000 0.707 104 N CB -1.204 37.300 38.487 0.028 0.000 1.043 104 N HN 0.154 8.546 8.380 0.020 0.000 0.553 105 S N -0.391 115.323 115.700 0.022 0.000 2.369 105 S HA -0.448 nan 4.470 nan 0.000 0.225 105 S C 1.345 175.965 174.600 0.033 0.000 1.043 105 S CA 3.201 61.421 58.200 0.034 0.000 1.074 105 S CB -0.043 63.196 63.200 0.064 0.000 0.962 105 S HN -0.451 8.084 8.310 0.017 -0.215 0.433 106 I N 0.384 120.980 120.570 0.043 0.000 2.127 106 I HA -0.410 nan 4.170 nan 0.000 0.241 106 I C 2.067 178.216 176.117 0.053 0.000 1.075 106 I CA 1.929 63.250 61.300 0.034 0.000 1.334 106 I CB -1.217 36.839 38.000 0.093 0.000 1.040 106 I HN 0.119 8.365 8.210 0.061 0.000 0.405 107 R N -1.204 119.340 120.500 0.074 0.000 2.103 107 R HA -0.305 nan 4.340 nan 0.000 0.242 107 R C 3.235 179.576 176.300 0.068 0.000 1.142 107 R CA 2.946 59.099 56.100 0.089 0.000 0.960 107 R CB -0.499 29.852 30.300 0.086 0.000 0.858 107 R HN -0.144 8.171 8.270 0.075 0.000 0.439 108 L N -0.645 120.603 121.223 0.042 0.000 2.093 108 L HA -0.291 nan 4.340 nan 0.000 0.208 108 L C 2.134 179.013 176.870 0.015 0.000 1.085 108 L CA 2.760 57.616 54.840 0.026 0.000 0.755 108 L CB -0.411 41.659 42.059 0.018 0.000 0.904 108 L HN -0.490 7.757 8.230 0.040 0.007 0.435 109 S N -0.794 114.904 115.700 -0.003 0.000 2.419 109 S HA -0.280 nan 4.470 nan 0.000 0.235 109 S C 1.424 176.006 174.600 -0.029 0.000 1.019 109 S CA 3.297 61.469 58.200 -0.046 0.000 0.982 109 S CB -0.377 62.741 63.200 -0.136 0.000 0.789 109 S HN -0.066 8.141 8.310 0.001 0.104 0.490 110 A N -1.043 121.789 122.820 0.021 0.000 2.209 110 A HA -0.007 nan 4.320 nan 0.000 0.212 110 A C -0.048 177.556 177.584 0.033 0.000 1.158 110 A CA 0.905 52.976 52.037 0.056 0.000 0.742 110 A CB 0.142 19.216 19.000 0.122 0.000 0.790 110 A HN -0.758 7.372 8.150 0.036 0.041 0.472 111 G N -2.782 106.027 108.800 0.016 0.000 4.220 111 G HA2 0.063 nan 3.960 nan 0.000 0.256 111 G HA3 0.063 nan 3.960 nan 0.000 0.256 111 G C -1.850 173.050 174.900 -0.000 0.000 1.520 111 G CA 0.430 45.533 45.100 0.005 0.000 0.608 111 G HN -0.407 7.715 8.290 0.013 0.176 0.415 112 G N -0.398 108.398 108.800 -0.007 0.000 2.376 112 G HA2 -0.162 nan 3.960 nan 0.000 0.302 112 G HA3 -0.162 nan 3.960 nan 0.000 0.302 112 G C -2.896 171.996 174.900 -0.015 0.000 1.586 112 G CA 0.214 45.311 45.100 -0.004 0.000 0.907 112 G HN -0.580 7.702 8.290 -0.013 0.000 0.655 113 D N 2.313 122.706 120.400 -0.012 0.000 2.435 113 D HA 0.153 nan 4.640 nan 0.000 0.230 113 D C -1.260 175.033 176.300 -0.011 0.000 1.215 113 D CA 0.461 54.436 54.000 -0.041 0.000 0.947 113 D CB -0.072 40.694 40.800 -0.057 0.000 1.048 113 D HN 0.048 8.419 8.370 0.001 0.000 0.512 114 I N 0.975 121.534 120.570 -0.019 0.000 2.569 114 I HA 0.422 nan 4.170 nan 0.000 0.296 114 I C -0.611 175.535 176.117 0.048 0.000 1.028 114 I CA -2.845 58.502 61.300 0.078 0.000 1.082 114 I CB 2.335 40.383 38.000 0.079 0.000 1.264 114 I HN -0.592 7.583 8.210 -0.058 0.000 0.429 115 W N 5.156 126.460 121.300 0.007 0.000 2.148 115 W HA -0.081 nan 4.660 nan 0.000 0.347 115 W C -0.384 176.100 176.519 -0.058 0.000 1.288 115 W CA 1.410 58.729 57.345 -0.043 0.000 1.252 115 W CB 0.262 29.669 29.460 -0.088 0.000 1.156 115 W HN -0.025 8.491 8.180 0.561 0.000 0.580 116 V N 2.256 122.289 119.914 0.198 0.000 2.383 116 V HA 0.271 nan 4.120 nan 0.000 0.275 116 V C -1.063 175.116 176.094 0.140 0.000 1.036 116 V CA -0.505 61.858 62.300 0.105 0.000 0.889 116 V CB -0.375 31.489 31.823 0.068 0.000 0.985 116 V HN -0.133 8.188 8.190 0.217 0.000 0.459 117 T N 4.038 118.655 114.554 0.104 0.000 2.888 117 T HA 0.717 nan 4.350 nan 0.000 0.288 117 T C -1.210 173.533 174.700 0.072 0.000 1.063 117 T CA -1.845 60.290 62.100 0.058 0.000 1.010 117 T CB 3.252 72.142 68.868 0.036 0.000 1.214 117 T HN 0.067 8.369 8.240 0.104 0.000 0.533 118 R N -2.343 118.185 120.500 0.046 0.000 2.765 118 R HA 0.152 nan 4.340 nan 0.000 0.277 118 R C -1.443 174.882 176.300 0.042 0.000 1.028 118 R CA -0.017 56.103 56.100 0.034 0.000 0.860 118 R CB 4.373 34.681 30.300 0.012 0.000 1.270 118 R HN -0.148 8.134 8.270 0.019 0.000 0.484 119 E N -1.948 118.269 120.200 0.028 0.000 2.291 119 E HA -0.293 nan 4.350 nan 0.000 0.181 119 E C -2.350 174.377 176.600 0.211 0.000 1.480 119 E CA 0.714 57.207 56.400 0.155 0.000 0.674 119 E CB -1.792 28.026 29.700 0.196 0.000 1.108 119 E HN -0.114 8.456 8.360 -0.054 -0.243 0.357 120 P HA 0.515 nan 4.420 nan 0.000 0.284 120 P C -2.244 174.979 177.300 -0.128 0.000 1.287 120 P CA -1.176 61.934 63.100 0.017 0.000 0.824 120 P CB 1.233 32.927 31.700 -0.010 0.000 1.180 121 Y N -8.502 111.539 120.300 -0.432 0.000 2.818 121 Y HA 0.229 nan 4.550 nan 0.000 0.341 121 Y C -2.893 172.815 175.900 -0.320 0.000 1.283 121 Y CA -1.220 56.410 58.100 -0.783 0.000 1.075 121 Y CB 1.026 39.302 38.460 -0.306 0.000 1.370 121 Y HN 0.174 8.241 8.280 -0.355 0.000 0.448 122 V N -1.602 118.291 119.914 -0.035 0.000 3.012 122 V HA 0.657 nan 4.120 nan 0.000 0.307 122 V C -2.403 173.745 176.094 0.090 0.000 1.166 122 V CA -1.624 60.655 62.300 -0.034 0.000 0.974 122 V CB 3.145 34.656 31.823 -0.520 0.000 1.040 122 V HN 0.204 8.442 8.190 0.080 0.000 0.428 123 S N 4.034 119.994 115.700 0.434 0.000 2.618 123 S HA 0.743 nan 4.470 nan 0.000 0.277 123 S C -2.038 172.951 174.600 0.649 0.000 1.138 123 S CA -1.653 56.894 58.200 0.578 0.000 0.844 123 S CB 4.522 68.193 63.200 0.785 0.000 1.127 123 S HN 0.249 8.952 8.310 0.655 0.000 0.474 124 c N 0.740 119.696 118.600 0.593 0.000 2.535 124 c HA 0.762 nan 4.570 nan 0.000 0.319 124 c C -0.651 173.593 174.090 0.256 0.000 1.171 124 c CA -1.552 55.057 56.329 0.468 0.000 1.394 124 c CB 2.743 45.486 42.510 0.389 0.000 1.990 124 c HN 0.915 9.478 8.230 0.554 0.000 0.466 125 D N 5.271 125.743 120.400 0.121 0.000 2.447 125 D HA 0.236 nan 4.640 nan 0.000 0.265 125 D C -0.795 175.383 176.300 -0.202 0.000 1.250 125 D CA -2.035 51.696 54.000 -0.448 0.000 1.046 125 D CB -1.309 38.960 40.800 -0.886 0.000 1.095 125 D HN 0.064 8.670 8.370 0.393 0.000 0.555 126 P HA -0.167 nan 4.420 nan 0.000 0.218 126 P C -0.604 176.662 177.300 -0.056 0.000 1.146 126 P CA 1.819 64.840 63.100 -0.132 0.000 0.820 126 P CB 0.085 31.711 31.700 -0.123 0.000 0.778 127 V N -5.894 114.001 119.914 -0.031 0.000 3.048 127 V HA 0.130 nan 4.120 nan 0.000 0.241 127 V C -1.201 174.900 176.094 0.010 0.000 1.129 127 V CA -0.510 61.789 62.300 -0.001 0.000 1.128 127 V CB 1.517 33.343 31.823 0.004 0.000 0.849 127 V HN -0.458 7.864 8.190 -0.048 -0.161 0.475 128 K N -2.731 117.680 120.400 0.019 0.000 2.533 128 K HA 0.340 nan 4.320 nan 0.000 0.272 128 K C -2.081 174.490 176.600 -0.049 0.000 0.985 128 K CA -1.607 54.646 56.287 -0.057 0.000 0.876 128 K CB 3.059 35.439 32.500 -0.201 0.000 1.452 128 K HN 0.032 8.699 8.250 0.063 -0.379 0.439 129 c N -0.166 118.383 118.600 -0.084 0.000 2.405 129 c HA 0.807 nan 4.570 nan 0.000 0.365 129 c C -0.226 173.692 174.090 -0.287 0.000 1.233 129 c CA -0.445 55.895 56.329 0.020 0.000 2.230 129 c CB 0.292 42.888 42.510 0.143 0.000 2.443 129 c HN 0.509 8.685 8.230 -0.089 0.000 0.556 130 Y N 0.428 120.746 120.300 0.031 0.000 2.462 130 Y HA 0.415 nan 4.550 nan 0.000 0.346 130 Y C -1.902 173.773 175.900 -0.374 0.000 0.976 130 Y CA -1.459 56.489 58.100 -0.254 0.000 1.044 130 Y CB 3.572 41.749 38.460 -0.472 0.000 1.230 130 Y HN 1.183 9.585 8.280 0.377 0.105 0.455 131 Q N -0.744 118.853 119.800 -0.338 0.000 2.245 131 Q HA 0.808 nan 4.340 nan 0.000 0.256 131 Q C -1.145 174.617 176.000 -0.398 0.000 0.942 131 Q CA -1.715 53.920 55.803 -0.280 0.000 0.896 131 Q CB 2.193 30.761 28.738 -0.284 0.000 1.272 131 Q HN 0.718 8.790 8.270 -0.330 0.000 0.442 132 F N 0.819 120.572 119.950 -0.328 0.000 2.631 132 F HA 0.915 nan 4.527 nan 0.000 0.328 132 F C -1.389 174.200 175.800 -0.352 0.000 1.067 132 F CA -2.321 55.426 58.000 -0.423 0.000 0.969 132 F CB 4.351 42.771 39.000 -0.968 0.000 1.332 132 F HN 0.735 9.050 8.300 0.024 0.000 0.490 133 A N -2.903 119.814 122.820 -0.171 0.000 2.569 133 A HA 0.501 nan 4.320 nan 0.000 0.292 133 A C -2.685 174.755 177.584 -0.240 0.000 1.032 133 A CA 0.413 52.351 52.037 -0.164 0.000 0.669 133 A CB 2.761 21.679 19.000 -0.136 0.000 1.290 133 A HN 0.013 8.034 8.150 -0.214 0.000 0.422 134 L N 0.450 121.608 121.223 -0.107 0.000 2.261 134 L HA 0.527 nan 4.340 nan 0.000 0.289 134 L C 0.365 177.164 176.870 -0.118 0.000 1.059 134 L CA -1.123 53.665 54.840 -0.087 0.000 0.816 134 L CB 0.040 42.124 42.059 0.042 0.000 1.191 134 L HN -0.090 8.125 8.230 -0.025 0.000 0.431 135 G N 1.920 110.591 108.800 -0.215 0.000 2.631 135 G HA2 0.143 nan 3.960 nan 0.000 0.271 135 G HA3 0.143 nan 3.960 nan 0.000 0.271 135 G C -0.692 174.269 174.900 0.103 0.000 1.302 135 G CA -0.103 44.942 45.100 -0.092 0.000 1.002 135 G HN 0.801 8.908 8.290 -0.305 0.000 0.519 136 Q N -0.189 119.748 119.800 0.229 0.000 2.139 136 Q HA 0.108 nan 4.340 nan 0.000 0.219 136 Q C 0.165 176.290 176.000 0.209 0.000 0.805 136 Q CA -0.775 55.147 55.803 0.198 0.000 1.024 136 Q CB 0.823 29.661 28.738 0.166 0.000 1.163 136 Q HN -0.177 8.295 8.270 0.336 0.000 0.485 137 G N -1.406 107.576 108.800 0.303 0.000 2.160 137 G HA2 -0.450 nan 3.960 nan 0.000 0.251 137 G HA3 -0.450 nan 3.960 nan 0.000 0.251 137 G C -1.083 173.747 174.900 -0.117 0.000 1.008 137 G CA 0.412 45.614 45.100 0.170 0.000 0.724 137 G HN 0.076 8.590 8.290 0.478 0.063 0.514 138 T N -2.140 112.297 114.554 -0.194 0.000 2.769 138 T HA 0.211 nan 4.350 nan 0.000 0.306 138 T C -2.051 172.405 174.700 -0.407 0.000 1.400 138 T CA -0.820 61.093 62.100 -0.312 0.000 1.007 138 T CB 1.809 70.622 68.868 -0.091 0.000 1.392 138 T HN -0.555 7.631 8.240 -0.040 0.030 0.500 139 T N 2.912 117.243 114.554 -0.372 0.000 2.918 139 T HA 0.590 nan 4.350 nan 0.000 0.283 139 T C -0.314 174.274 174.700 -0.187 0.000 1.001 139 T CA 0.145 62.051 62.100 -0.324 0.000 1.041 139 T CB 0.804 69.496 68.868 -0.292 0.000 1.028 139 T HN 0.077 8.310 8.240 -0.302 -0.174 0.511 140 L N 1.842 122.947 121.223 -0.197 0.000 2.027 140 L HA -0.164 nan 4.340 nan 0.000 0.206 140 L C -0.144 176.594 176.870 -0.219 0.000 1.074 140 L CA 3.254 57.922 54.840 -0.287 0.000 0.745 140 L CB 0.710 42.503 42.059 -0.443 0.000 0.898 140 L HN 0.412 8.530 8.230 -0.187 0.000 0.433 141 D N -2.738 117.571 120.400 -0.152 0.000 2.688 141 D HA -0.014 nan 4.640 nan 0.000 0.228 141 D C -1.502 174.768 176.300 -0.051 0.000 1.116 141 D CA 0.001 53.957 54.000 -0.073 0.000 1.023 141 D CB -1.520 39.247 40.800 -0.055 0.000 1.100 141 D HN -0.142 8.134 8.370 -0.156 0.000 0.487 142 N N 0.934 119.616 118.700 -0.031 0.000 2.324 142 N HA 0.089 nan 4.740 nan 0.000 0.285 142 N C 0.210 175.726 175.510 0.010 0.000 1.076 142 N CA -0.599 52.447 53.050 -0.006 0.000 0.864 142 N CB 2.380 40.864 38.487 -0.004 0.000 1.632 142 N HN -0.620 7.695 8.380 -0.021 0.052 0.478 143 K N 3.347 123.719 120.400 -0.047 0.000 2.209 143 K HA -0.291 nan 4.320 nan 0.000 0.204 143 K C 1.812 178.340 176.600 -0.121 0.000 1.048 143 K CA 2.502 58.721 56.287 -0.113 0.000 0.940 143 K CB -0.252 32.121 32.500 -0.211 0.000 0.729 143 K HN 0.689 8.908 8.250 -0.052 0.000 0.451 144 H N -2.576 116.484 119.070 -0.017 0.000 2.561 144 H HA -0.076 nan 4.556 nan 0.000 0.278 144 H C 0.854 176.205 175.328 0.038 0.000 1.014 144 H CA 1.763 57.807 56.048 -0.006 0.000 1.211 144 H CB -0.904 28.830 29.762 -0.048 0.000 1.365 144 H HN 0.113 8.357 8.280 0.004 0.039 0.594 145 S N -1.973 113.817 115.700 0.150 0.000 2.489 145 S HA -0.198 nan 4.470 nan 0.000 0.228 145 S C 0.264 175.020 174.600 0.261 0.000 0.995 145 S CA 0.566 58.876 58.200 0.183 0.000 0.934 145 S CB 0.549 63.833 63.200 0.141 0.000 0.771 145 S HN -0.116 8.098 8.310 0.112 0.163 0.522 146 N N 2.841 121.674 118.700 0.222 0.000 2.412 146 N HA -0.264 nan 4.740 nan 0.000 0.258 146 N C -0.296 175.364 175.510 0.250 0.000 1.236 146 N CA 1.499 54.701 53.050 0.253 0.000 0.882 146 N CB 0.081 38.640 38.487 0.119 0.000 1.066 146 N HN -0.811 7.615 8.380 0.154 0.046 0.465 147 D N 3.469 124.049 120.400 0.300 0.000 2.835 147 D HA -0.388 nan 4.640 nan 0.000 0.230 147 D C 0.146 176.607 176.300 0.269 0.000 1.130 147 D CA 1.416 55.580 54.000 0.273 0.000 0.738 147 D CB -0.508 40.460 40.800 0.280 0.000 1.090 147 D HN 0.457 9.042 8.370 0.359 0.000 0.433 148 T N -0.424 114.272 114.554 0.238 0.000 3.163 148 T HA -0.008 nan 4.350 nan 0.000 0.260 148 T C 0.543 175.331 174.700 0.148 0.000 1.156 148 T CA 1.973 64.202 62.100 0.214 0.000 1.072 148 T CB -0.055 68.961 68.868 0.247 0.000 0.937 148 T HN -0.355 8.041 8.240 0.259 0.000 0.528 149 V N -1.613 118.342 119.914 0.068 0.000 2.407 149 V HA -0.144 nan 4.120 nan 0.000 0.248 149 V C 0.572 176.621 176.094 -0.075 0.000 1.055 149 V CA 1.097 63.369 62.300 -0.047 0.000 1.049 149 V CB -0.702 31.025 31.823 -0.159 0.000 0.662 149 V HN -0.545 7.611 8.190 0.080 0.082 0.455 150 H N -0.157 118.931 119.070 0.029 0.000 3.157 150 H HA -0.143 nan 4.556 nan 0.000 0.299 150 H C -0.412 174.908 175.328 -0.013 0.000 0.961 150 H CA 0.709 56.756 56.048 -0.001 0.000 1.428 150 H CB 0.378 30.139 29.762 -0.001 0.000 1.459 150 H HN -0.668 7.592 8.280 -0.003 0.019 0.566 151 D N 2.538 122.970 120.400 0.054 0.000 2.264 151 D HA -0.107 nan 4.640 nan 0.000 0.208 151 D C -0.336 175.930 176.300 -0.057 0.000 0.966 151 D CA 2.331 56.332 54.000 0.002 0.000 0.864 151 D CB 0.531 41.312 40.800 -0.032 0.000 0.933 151 D HN 0.186 8.579 8.370 0.038 0.000 0.499 152 R N -2.803 117.610 120.500 -0.146 0.000 2.521 152 R HA 0.294 nan 4.340 nan 0.000 0.295 152 R C -1.768 174.400 176.300 -0.220 0.000 1.183 152 R CA -0.817 55.072 56.100 -0.351 0.000 0.957 152 R CB 1.432 31.147 30.300 -0.976 0.000 1.171 152 R HN -0.110 8.080 8.270 -0.068 0.039 0.494 153 I N -0.948 119.594 120.570 -0.047 0.000 3.042 153 I HA 0.691 nan 4.170 nan 0.000 0.310 153 I C -1.945 174.172 176.117 0.000 0.000 1.117 153 I CA -3.810 57.463 61.300 -0.044 0.000 1.003 153 I CB 2.067 40.065 38.000 -0.004 0.000 1.228 153 I HN 0.094 8.331 8.210 0.046 0.000 0.443 154 P HA -0.031 nan 4.420 nan 0.000 0.239 154 P C -0.889 176.258 177.300 -0.254 0.000 1.184 154 P CA 2.029 65.001 63.100 -0.213 0.000 0.760 154 P CB -0.232 31.267 31.700 -0.336 0.000 0.884 155 H N -4.845 114.279 119.070 0.091 0.000 2.622 155 H HA 0.151 nan 4.556 nan 0.000 0.269 155 H C -0.502 174.876 175.328 0.084 0.000 0.977 155 H CA -0.399 55.691 56.048 0.069 0.000 1.179 155 H CB 0.291 30.083 29.762 0.049 0.000 1.458 155 H HN -0.132 7.942 8.280 -0.176 0.100 0.531 156 R N 0.298 120.900 120.500 0.169 0.000 2.442 156 R HA 0.025 nan 4.340 nan 0.000 0.291 156 R C -1.023 175.309 176.300 0.053 0.000 1.069 156 R CA 0.894 57.072 56.100 0.131 0.000 1.022 156 R CB 0.504 30.903 30.300 0.165 0.000 0.976 156 R HN -0.879 7.485 8.270 0.156 0.000 0.443 157 T N -1.920 112.622 114.554 -0.019 0.000 2.896 157 T HA 0.503 nan 4.350 nan 0.000 0.297 157 T C -2.108 172.477 174.700 -0.192 0.000 1.108 157 T CA -2.376 59.664 62.100 -0.100 0.000 1.004 157 T CB 3.183 71.988 68.868 -0.105 0.000 1.159 157 T HN 0.021 8.242 8.240 -0.030 0.000 0.499 158 L N 1.820 122.919 121.223 -0.207 0.000 2.305 158 L HA 0.789 nan 4.340 nan 0.000 0.281 158 L C -1.865 174.790 176.870 -0.359 0.000 1.085 158 L CA -0.715 53.985 54.840 -0.233 0.000 0.813 158 L CB 1.450 43.421 42.059 -0.147 0.000 1.157 158 L HN -0.144 7.975 8.230 -0.185 0.000 0.436 159 L N 5.268 126.210 121.223 -0.468 0.000 2.346 159 L HA 0.704 nan 4.340 nan 0.000 0.276 159 L C -1.892 174.732 176.870 -0.409 0.000 1.006 159 L CA -1.541 52.946 54.840 -0.589 0.000 0.817 159 L CB 2.177 43.587 42.059 -1.081 0.000 1.272 159 L HN 0.592 8.553 8.230 -0.449 0.000 0.421 160 M N 2.216 121.597 119.600 -0.366 0.000 2.326 160 M HA 0.444 nan 4.480 nan 0.000 0.306 160 M C -2.413 173.731 176.300 -0.260 0.000 1.054 160 M CA -0.875 54.138 55.300 -0.478 0.000 0.922 160 M CB 3.233 35.424 32.600 -0.680 0.000 1.632 160 M HN 0.011 8.085 8.290 -0.360 0.000 0.436 161 N N 4.881 123.451 118.700 -0.218 0.000 2.525 161 N HA 0.315 nan 4.740 nan 0.000 0.270 161 N C -2.530 172.916 175.510 -0.106 0.000 1.321 161 N CA -0.685 52.298 53.050 -0.111 0.000 0.797 161 N CB 4.545 42.939 38.487 -0.155 0.000 1.529 161 N HN 0.201 8.368 8.380 -0.354 0.000 0.491 162 E N 1.037 121.177 120.200 -0.099 0.000 2.376 162 E HA -0.080 nan 4.350 nan 0.000 0.266 162 E C -0.540 175.887 176.600 -0.287 0.000 1.009 162 E CA 0.484 56.725 56.400 -0.265 0.000 0.902 162 E CB 0.693 30.253 29.700 -0.234 0.000 0.972 162 E HN 0.230 8.552 8.360 -0.062 0.000 0.439 163 L N 6.819 127.851 121.223 -0.318 0.000 2.700 163 L HA -0.326 nan 4.340 nan 0.000 0.272 163 L C -0.348 176.354 176.870 -0.281 0.000 1.176 163 L CA 2.036 56.708 54.840 -0.281 0.000 0.961 163 L CB -0.046 41.874 42.059 -0.232 0.000 1.249 163 L HN -0.102 7.897 8.230 -0.385 0.000 0.487 164 G N 3.918 112.551 108.800 -0.279 0.000 2.284 164 G HA2 -0.240 nan 3.960 nan 0.000 0.201 164 G HA3 -0.240 nan 3.960 nan 0.000 0.201 164 G C -0.980 173.783 174.900 -0.228 0.000 0.998 164 G CA -0.318 44.633 45.100 -0.248 0.000 0.651 164 G HN -0.113 7.993 8.290 -0.307 0.000 0.489 165 V N 0.711 120.479 119.914 -0.243 0.000 2.407 165 V HA 0.544 nan 4.120 nan 0.000 0.278 165 V C -2.370 173.567 176.094 -0.262 0.000 1.037 165 V CA -3.597 58.577 62.300 -0.211 0.000 0.900 165 V CB 0.493 32.214 31.823 -0.171 0.000 0.983 165 V HN -0.393 7.639 8.190 -0.264 0.000 0.459 166 P HA 0.064 nan 4.420 nan 0.000 0.272 166 P C -0.417 176.847 177.300 -0.061 0.000 1.230 166 P CA -0.881 62.095 63.100 -0.206 0.000 0.788 166 P CB 0.992 32.644 31.700 -0.081 0.000 0.949 167 F N -0.189 119.806 119.950 0.074 0.000 2.670 167 F HA -0.041 nan 4.527 nan 0.000 0.345 167 F C -0.404 175.568 175.800 0.287 0.000 1.303 167 F CA -0.837 57.214 58.000 0.086 0.000 1.172 167 F CB -1.882 37.111 39.000 -0.012 0.000 1.602 167 F HN 0.355 8.537 8.300 -0.197 0.000 0.679 168 H N -1.161 118.087 119.070 0.296 0.000 2.497 168 H HA 0.520 nan 4.556 nan 0.000 0.348 168 H C 0.836 176.369 175.328 0.341 0.000 1.335 168 H CA -2.084 54.111 56.048 0.245 0.000 1.395 168 H CB 1.777 31.602 29.762 0.106 0.000 1.658 168 H HN 0.137 8.729 8.280 0.579 0.036 0.613 169 L N -1.144 120.147 121.223 0.114 0.000 2.261 169 L HA -0.254 nan 4.340 nan 0.000 0.216 169 L C 1.320 178.147 176.870 -0.071 0.000 1.114 169 L CA 2.027 56.902 54.840 0.058 0.000 0.777 169 L CB -0.542 41.525 42.059 0.014 0.000 0.910 169 L HN 0.761 9.108 8.230 0.195 0.000 0.440 170 G N -2.772 105.777 108.800 -0.418 0.000 2.744 170 G HA2 -0.115 nan 3.960 nan 0.000 0.211 170 G HA3 -0.115 nan 3.960 nan 0.000 0.211 170 G C 0.003 174.665 174.900 -0.396 0.000 1.143 170 G CA -0.196 44.722 45.100 -0.304 0.000 0.788 170 G HN -0.522 7.387 8.290 -0.564 0.042 0.534 171 T N 2.675 116.899 114.554 -0.549 0.000 2.906 171 T HA -0.173 nan 4.350 nan 0.000 0.320 171 T C -0.820 173.752 174.700 -0.213 0.000 1.088 171 T CA 1.495 63.422 62.100 -0.289 0.000 1.120 171 T CB 0.267 69.005 68.868 -0.216 0.000 1.000 171 T HN -0.241 7.454 8.240 -0.609 0.180 0.550 172 R N 3.130 123.501 120.500 -0.216 0.000 2.265 172 R HA 0.224 nan 4.340 nan 0.000 0.319 172 R C -1.008 175.111 176.300 -0.303 0.000 1.006 172 R CA -1.381 54.590 56.100 -0.214 0.000 0.880 172 R CB 1.420 31.614 30.300 -0.177 0.000 1.077 172 R HN 0.138 8.292 8.270 -0.193 0.000 0.454 173 Q N 5.356 124.995 119.800 -0.267 0.000 2.441 173 Q HA 0.100 nan 4.340 nan 0.000 0.234 173 Q C 0.336 176.190 176.000 -0.242 0.000 1.078 173 Q CA 0.224 55.849 55.803 -0.296 0.000 0.907 173 Q CB -0.408 28.197 28.738 -0.221 0.000 1.269 173 Q HN 0.425 8.580 8.270 -0.191 0.000 0.502 174 V N 0.265 119.999 119.914 -0.300 0.000 2.913 174 V HA -0.060 nan 4.120 nan 0.000 0.260 174 V C -1.193 174.737 176.094 -0.272 0.000 1.098 174 V CA 0.695 62.800 62.300 -0.326 0.000 1.121 174 V CB -0.140 31.356 31.823 -0.545 0.000 0.714 174 V HN 0.296 8.283 8.190 -0.339 0.000 0.487 175 c N -4.927 113.538 118.600 -0.225 0.000 3.176 175 c HA 0.202 nan 4.570 nan 0.000 0.343 175 c C -2.143 171.863 174.090 -0.141 0.000 1.332 175 c CA -2.092 54.138 56.329 -0.165 0.000 1.200 175 c CB 1.265 43.673 42.510 -0.169 0.000 1.440 175 c HN -0.841 7.212 8.230 -0.233 0.037 0.458 176 I N 1.431 121.930 120.570 -0.119 0.000 2.352 176 I HA 0.315 nan 4.170 nan 0.000 0.290 176 I C -1.076 174.944 176.117 -0.161 0.000 1.036 176 I CA -0.053 61.183 61.300 -0.107 0.000 1.336 176 I CB 0.292 38.237 38.000 -0.090 0.000 1.407 176 I HN 0.225 8.367 8.210 -0.114 0.000 0.497 177 A N 6.629 129.362 122.820 -0.144 0.000 2.555 177 A HA 0.388 nan 4.320 nan 0.000 0.297 177 A C -1.581 175.963 177.584 -0.066 0.000 1.060 177 A CA -0.181 51.730 52.037 -0.209 0.000 0.710 177 A CB 2.368 21.265 19.000 -0.171 0.000 1.282 177 A HN 0.338 8.326 8.150 -0.085 0.111 0.399 178 W N -2.120 119.163 121.300 -0.029 0.000 3.132 178 W HA 0.331 nan 4.660 nan 0.000 0.364 178 W C -1.089 175.436 176.519 0.010 0.000 1.129 178 W CA -1.829 55.511 57.345 -0.009 0.000 1.815 178 W CB 1.503 30.957 29.460 -0.010 0.000 1.099 178 W HN 0.757 8.528 8.180 -0.682 0.000 0.605 179 S N 0.109 115.914 115.700 0.175 0.000 2.548 179 S HA 0.280 nan 4.470 nan 0.000 0.278 179 S C -2.169 172.431 174.600 0.000 0.000 1.150 179 S CA 0.067 58.366 58.200 0.165 0.000 0.907 179 S CB 1.091 64.450 63.200 0.266 0.000 1.108 179 S HN -0.787 7.412 8.310 -0.074 0.067 0.459 180 S N 4.103 119.831 115.700 0.047 0.000 2.688 180 S HA 0.895 nan 4.470 nan 0.000 0.275 180 S C -2.754 171.829 174.600 -0.028 0.000 1.175 180 S CA -0.794 57.413 58.200 0.011 0.000 0.818 180 S CB 3.479 66.724 63.200 0.076 0.000 1.157 180 S HN 0.470 9.129 8.310 0.102 -0.289 0.482 181 S N -1.721 113.957 115.700 -0.036 0.000 2.552 181 S HA 0.302 nan 4.470 nan 0.000 0.272 181 S C -2.543 172.062 174.600 0.008 0.000 1.150 181 S CA 0.271 58.390 58.200 -0.135 0.000 0.849 181 S CB 1.768 64.919 63.200 -0.080 0.000 1.113 181 S HN -0.040 8.276 8.310 0.009 0.000 0.458 182 S N 2.853 118.555 115.700 0.003 0.000 2.533 182 S HA 0.869 nan 4.470 nan 0.000 0.271 182 S C -1.555 173.200 174.600 0.257 0.000 1.143 182 S CA -0.304 57.984 58.200 0.148 0.000 0.891 182 S CB 3.412 66.654 63.200 0.071 0.000 1.105 182 S HN -0.132 8.103 8.310 -0.125 0.000 0.468 183 c N 0.554 119.380 118.600 0.377 0.000 3.285 183 c HA 0.487 nan 4.570 nan 0.000 0.325 183 c C -2.463 171.779 174.090 0.252 0.000 1.304 183 c CA -1.872 54.679 56.329 0.370 0.000 1.319 183 c CB 3.255 45.913 42.510 0.245 0.000 1.640 183 c HN 0.908 9.338 8.230 0.335 0.000 0.477 184 H N 1.910 120.915 119.070 -0.108 0.000 2.551 184 H HA 0.325 nan 4.556 nan 0.000 0.321 184 H C 0.313 175.612 175.328 -0.049 0.000 1.028 184 H CA -0.938 54.893 56.048 -0.362 0.000 1.215 184 H CB 2.262 31.465 29.762 -0.933 0.000 1.414 184 H HN 0.324 8.705 8.280 0.169 0.000 0.480 185 D N 6.981 127.366 120.400 -0.024 0.000 2.312 185 D HA -0.170 nan 4.640 nan 0.000 0.211 185 D C 0.711 177.116 176.300 0.176 0.000 0.964 185 D CA 0.429 54.493 54.000 0.108 0.000 0.877 185 D CB 0.556 41.409 40.800 0.089 0.000 0.924 185 D HN -0.180 8.120 8.370 -0.116 0.000 0.515 186 G N -1.039 107.852 108.800 0.151 0.000 2.905 186 G HA2 -0.341 nan 3.960 nan 0.000 0.196 186 G HA3 -0.341 nan 3.960 nan 0.000 0.196 186 G C 0.810 175.782 174.900 0.121 0.000 1.044 186 G CA 0.171 45.385 45.100 0.189 0.000 0.778 186 G HN -0.663 7.542 8.290 -0.053 0.053 0.474 187 K N 1.952 122.376 120.400 0.040 0.000 2.242 187 K HA 0.123 nan 4.320 nan 0.000 0.200 187 K C -0.889 175.597 176.600 -0.190 0.000 1.050 187 K CA 0.717 56.992 56.287 -0.019 0.000 0.981 187 K CB 2.166 34.709 32.500 0.073 0.000 0.795 187 K HN 0.242 8.808 8.250 0.168 -0.215 0.477 188 A N -3.732 118.739 122.820 -0.582 0.000 2.552 188 A HA 0.252 nan 4.320 nan 0.000 0.308 188 A C -2.697 174.294 177.584 -0.988 0.000 1.114 188 A CA -0.167 51.412 52.037 -0.762 0.000 0.610 188 A CB 1.596 20.276 19.000 -0.532 0.000 1.402 188 A HN -0.637 7.408 8.150 -0.551 -0.225 0.563 189 W N -2.911 118.135 121.300 -0.423 0.000 2.438 189 W HA 0.511 nan 4.660 nan 0.000 0.324 189 W C -0.982 175.382 176.519 -0.258 0.000 1.119 189 W CA -1.025 56.160 57.345 -0.267 0.000 1.221 189 W CB 2.260 31.561 29.460 -0.265 0.000 1.253 189 W HN 0.186 8.294 8.180 -0.119 0.000 0.555 190 L N 1.815 123.117 121.223 0.132 0.000 2.319 190 L HA 0.642 nan 4.340 nan 0.000 0.281 190 L C -2.208 174.679 176.870 0.028 0.000 1.005 190 L CA -0.795 54.153 54.840 0.181 0.000 0.828 190 L CB 2.272 44.486 42.059 0.259 0.000 1.227 190 L HN 0.827 9.089 8.230 0.225 0.102 0.415 191 H N 6.619 125.825 119.070 0.226 0.000 2.511 191 H HA 0.525 nan 4.556 nan 0.000 0.328 191 H C -2.130 173.199 175.328 0.001 0.000 1.044 191 H CA -1.032 55.082 56.048 0.109 0.000 1.212 191 H CB 2.015 31.811 29.762 0.057 0.000 1.428 191 H HN 0.550 8.958 8.280 0.212 0.000 0.483 192 V N 5.168 125.107 119.914 0.042 0.000 2.313 192 V HA 0.536 nan 4.120 nan 0.000 0.278 192 V C -2.281 173.688 176.094 -0.210 0.000 1.017 192 V CA -2.084 60.079 62.300 -0.228 0.000 0.823 192 V CB 0.924 32.579 31.823 -0.280 0.000 1.010 192 V HN 0.451 8.695 8.190 0.090 0.000 0.443 193 c N 9.730 128.169 118.600 -0.268 0.000 2.351 193 c HA 0.806 nan 4.570 nan 0.000 0.326 193 c C -1.080 172.792 174.090 -0.364 0.000 1.272 193 c CA -2.548 53.631 56.329 -0.251 0.000 1.650 193 c CB 0.426 42.817 42.510 -0.198 0.000 2.257 193 c HN 0.412 8.447 8.230 -0.325 0.000 0.505 194 I N 4.046 124.346 120.570 -0.449 0.000 2.474 194 I HA 0.679 nan 4.170 nan 0.000 0.294 194 I C -1.354 174.075 176.117 -1.148 0.000 1.005 194 I CA -0.876 60.023 61.300 -0.668 0.000 1.113 194 I CB 1.847 39.461 38.000 -0.644 0.000 1.289 194 I HN 0.753 8.727 8.210 -0.394 0.000 0.436 195 T N 5.277 119.234 114.554 -0.996 0.000 2.718 195 T HA 0.388 nan 4.350 nan 0.000 0.306 195 T C -1.763 172.752 174.700 -0.308 0.000 1.485 195 T CA -0.788 60.703 62.100 -1.015 0.000 0.997 195 T CB 3.615 72.163 68.868 -0.532 0.000 1.504 195 T HN 0.753 8.603 8.240 -0.651 0.000 0.497 196 G N 0.520 109.385 108.800 0.108 0.000 2.396 196 G HA2 -0.239 nan 3.960 nan 0.000 0.254 196 G HA3 -0.239 nan 3.960 nan 0.000 0.254 196 G C -2.083 172.999 174.900 0.304 0.000 1.248 196 G CA -0.353 44.846 45.100 0.165 0.000 1.033 196 G HN 0.038 8.525 8.290 0.328 0.000 0.502 197 D N 2.735 123.231 120.400 0.161 0.000 2.425 197 D HA 0.030 nan 4.640 nan 0.000 0.247 197 D C 0.864 177.247 176.300 0.138 0.000 1.147 197 D CA 0.198 54.267 54.000 0.114 0.000 0.879 197 D CB 0.157 40.990 40.800 0.055 0.000 1.179 197 D HN 0.170 8.602 8.370 0.104 0.000 0.456 198 D N 4.820 125.259 120.400 0.066 0.000 2.203 198 D HA -0.350 nan 4.640 nan 0.000 0.199 198 D C 1.416 177.735 176.300 0.031 0.000 0.997 198 D CA 3.846 57.860 54.000 0.022 0.000 0.863 198 D CB -0.079 40.670 40.800 -0.085 0.000 0.928 198 D HN 0.496 8.872 8.370 0.010 0.000 0.458 199 K N -5.365 115.046 120.400 0.019 0.000 2.393 199 K HA -0.064 nan 4.320 nan 0.000 0.193 199 K C 0.075 176.685 176.600 0.017 0.000 1.026 199 K CA 0.710 57.002 56.287 0.008 0.000 1.064 199 K CB 0.263 32.764 32.500 0.001 0.000 0.833 199 K HN -0.074 8.160 8.250 0.018 0.026 0.521 200 N N -1.501 117.221 118.700 0.037 0.000 2.639 200 N HA 0.070 nan 4.740 nan 0.000 0.265 200 N C -1.958 173.577 175.510 0.041 0.000 1.689 200 N CA -0.204 52.865 53.050 0.032 0.000 0.813 200 N CB 0.795 39.299 38.487 0.028 0.000 1.353 200 N HN -0.204 8.025 8.380 0.057 0.185 0.510 201 A N -0.373 122.477 122.820 0.050 0.000 2.366 201 A HA 0.129 nan 4.320 nan 0.000 0.249 201 A C -1.541 176.015 177.584 -0.045 0.000 1.084 201 A CA -0.018 52.035 52.037 0.025 0.000 0.794 201 A CB 1.256 20.296 19.000 0.067 0.000 1.034 201 A HN -0.258 7.923 8.150 0.051 0.000 0.491 202 T N -0.429 114.063 114.554 -0.104 0.000 2.848 202 T HA 0.666 nan 4.350 nan 0.000 0.285 202 T C -2.205 172.385 174.700 -0.183 0.000 0.995 202 T CA -1.350 60.694 62.100 -0.093 0.000 0.970 202 T CB 1.905 70.736 68.868 -0.062 0.000 0.976 202 T HN 0.309 8.460 8.240 -0.148 0.000 0.441 203 A N 8.119 130.852 122.820 -0.145 0.000 2.287 203 A HA 0.860 nan 4.320 nan 0.000 0.317 203 A C -1.854 175.548 177.584 -0.303 0.000 1.220 203 A CA -2.414 49.460 52.037 -0.272 0.000 0.835 203 A CB 1.901 20.747 19.000 -0.256 0.000 1.180 203 A HN 0.854 8.977 8.150 -0.046 0.000 0.500 204 S N 4.201 119.678 115.700 -0.371 0.000 2.541 204 S HA 0.717 nan 4.470 nan 0.000 0.283 204 S C -1.217 173.098 174.600 -0.475 0.000 1.196 204 S CA -1.240 56.801 58.200 -0.264 0.000 1.062 204 S CB 1.440 64.565 63.200 -0.126 0.000 1.009 204 S HN 0.844 8.937 8.310 -0.362 0.000 0.502 205 F N 3.658 123.633 119.950 0.042 0.000 2.375 205 F HA 0.487 nan 4.527 nan 0.000 0.361 205 F C -1.322 174.543 175.800 0.107 0.000 1.117 205 F CA -1.231 56.814 58.000 0.074 0.000 1.037 205 F CB 1.273 40.306 39.000 0.056 0.000 1.192 205 F HN -0.045 8.406 8.300 0.252 0.000 0.452 206 I N 3.928 124.645 120.570 0.246 0.000 2.354 206 I HA 0.460 nan 4.170 nan 0.000 0.286 206 I C -2.156 174.145 176.117 0.307 0.000 1.007 206 I CA -0.958 60.486 61.300 0.241 0.000 1.167 206 I CB 1.741 39.854 38.000 0.189 0.000 1.320 206 I HN 0.402 8.740 8.210 0.215 0.000 0.458 207 Y N 8.872 129.261 120.300 0.148 0.000 2.446 207 Y HA 0.228 nan 4.550 nan 0.000 0.338 207 Y C -0.782 175.183 175.900 0.107 0.000 1.055 207 Y CA -1.246 56.923 58.100 0.115 0.000 1.101 207 Y CB 3.122 41.638 38.460 0.094 0.000 1.221 207 Y HN 0.449 8.921 8.280 0.319 0.000 0.460 208 D N 8.724 128.750 120.400 -0.624 0.000 2.720 208 D HA -0.444 nan 4.640 nan 0.000 0.229 208 D C -0.044 176.201 176.300 -0.093 0.000 1.198 208 D CA 1.359 55.111 54.000 -0.413 0.000 0.639 208 D CB -0.886 39.625 40.800 -0.482 0.000 1.003 208 D HN 0.276 8.048 8.370 -0.997 0.000 0.411 209 G N -5.558 103.247 108.800 0.007 0.000 2.184 209 G HA2 -0.489 nan 3.960 nan 0.000 0.264 209 G HA3 -0.489 nan 3.960 nan 0.000 0.264 209 G C -0.844 174.089 174.900 0.055 0.000 0.975 209 G CA 0.450 45.578 45.100 0.047 0.000 0.642 209 G HN 0.549 8.851 8.290 0.036 0.009 0.536 210 R N -1.203 119.344 120.500 0.077 0.000 2.854 210 R HA 0.315 nan 4.340 nan 0.000 0.271 210 R C -1.924 174.446 176.300 0.116 0.000 0.994 210 R CA -2.140 54.011 56.100 0.085 0.000 0.945 210 R CB 3.026 33.377 30.300 0.084 0.000 1.194 210 R HN -0.016 8.127 8.270 0.084 0.178 0.476 211 L N 1.960 123.240 121.223 0.095 0.000 2.278 211 L HA 0.064 nan 4.340 nan 0.000 0.287 211 L C -0.009 176.933 176.870 0.119 0.000 1.072 211 L CA 1.150 56.054 54.840 0.108 0.000 0.819 211 L CB 0.319 42.422 42.059 0.074 0.000 1.176 211 L HN 0.126 8.400 8.230 0.073 0.000 0.435 212 V N 5.412 125.419 119.914 0.156 0.000 3.379 212 V HA 0.244 nan 4.120 nan 0.000 0.249 212 V C -0.886 175.272 176.094 0.107 0.000 1.184 212 V CA 0.462 62.840 62.300 0.131 0.000 1.106 212 V CB 1.276 33.188 31.823 0.147 0.000 0.826 212 V HN 0.793 9.100 8.190 0.194 0.000 0.465 213 D N -2.471 118.023 120.400 0.157 0.000 2.713 213 D HA 0.335 nan 4.640 nan 0.000 0.306 213 D C -2.777 173.691 176.300 0.281 0.000 1.299 213 D CA -0.465 53.616 54.000 0.135 0.000 0.823 213 D CB 3.943 44.745 40.800 0.002 0.000 1.353 213 D HN -0.684 7.819 8.370 0.222 0.000 0.447 214 S N -2.156 113.701 115.700 0.262 0.000 2.578 214 S HA 0.698 nan 4.470 nan 0.000 0.272 214 S C -2.008 172.747 174.600 0.259 0.000 1.145 214 S CA -0.285 58.107 58.200 0.321 0.000 0.835 214 S CB 2.920 66.211 63.200 0.153 0.000 1.104 214 S HN -0.009 8.392 8.310 0.152 0.000 0.458 215 I N 0.844 121.584 120.570 0.283 0.000 2.802 215 I HA 0.431 nan 4.170 nan 0.000 0.298 215 I C -1.851 174.363 176.117 0.161 0.000 1.176 215 I CA -0.899 60.538 61.300 0.229 0.000 1.025 215 I CB 3.655 41.848 38.000 0.322 0.000 1.243 215 I HN 0.159 8.531 8.210 0.270 0.000 0.424 216 G N 4.517 113.404 108.800 0.145 0.000 2.434 216 G HA2 0.387 nan 3.960 nan 0.000 0.330 216 G HA3 0.387 nan 3.960 nan 0.000 0.330 216 G C -1.658 173.319 174.900 0.128 0.000 1.155 216 G CA -1.582 43.578 45.100 0.100 0.000 0.917 216 G HN 0.074 8.457 8.290 0.154 0.000 0.493 217 S N 0.809 116.528 115.700 0.031 0.000 2.573 217 S HA -0.199 nan 4.470 nan 0.000 0.297 217 S C 0.102 174.756 174.600 0.090 0.000 1.280 217 S CA 0.589 58.754 58.200 -0.059 0.000 1.061 217 S CB 0.882 64.034 63.200 -0.080 0.000 0.812 217 S HN -0.053 8.263 8.310 0.010 0.000 0.500 218 W N 4.291 125.604 121.300 0.021 0.000 3.013 218 W HA 0.365 nan 4.660 nan 0.000 0.280 218 W C -0.629 175.895 176.519 0.008 0.000 1.249 218 W CA -0.674 56.678 57.345 0.011 0.000 1.577 218 W CB 0.477 29.940 29.460 0.004 0.000 1.057 218 W HN -0.012 8.068 8.180 -0.416 -0.150 0.613 219 S N -1.332 114.379 115.700 0.019 0.000 2.666 219 S HA 0.118 nan 4.470 nan 0.000 0.239 219 S C -0.175 174.415 174.600 -0.016 0.000 1.031 219 S CA 0.282 58.505 58.200 0.039 0.000 1.015 219 S CB 1.292 64.507 63.200 0.024 0.000 0.981 219 S HN -0.386 8.137 8.310 -0.234 -0.353 0.547 220 Q N -2.618 117.158 119.800 -0.039 0.000 2.468 220 Q HA -0.401 nan 4.340 nan 0.000 0.256 220 Q C -1.115 174.863 176.000 -0.037 0.000 0.984 220 Q CA 1.622 57.409 55.803 -0.026 0.000 1.110 220 Q CB -2.286 26.453 28.738 0.001 0.000 1.527 220 Q HN -0.141 8.044 8.270 -0.051 0.054 0.535 221 N N -1.246 117.415 118.700 -0.066 0.000 2.690 221 N HA 0.214 nan 4.740 nan 0.000 0.255 221 N C -1.405 174.066 175.510 -0.066 0.000 1.195 221 N CA -0.316 52.700 53.050 -0.056 0.000 0.790 221 N CB 1.138 39.596 38.487 -0.049 0.000 1.216 221 N HN -0.591 7.910 8.380 -0.102 -0.182 0.528 222 I N 1.544 122.091 120.570 -0.038 0.000 7.907 222 I HA -0.530 nan 4.170 nan 0.000 0.126 222 I C -1.753 174.364 176.117 -0.000 0.000 1.799 222 I CA 0.843 62.147 61.300 0.006 0.000 2.135 222 I CB -1.384 36.587 38.000 -0.047 0.000 3.645 222 I HN 0.874 9.070 8.210 -0.024 0.000 0.198 223 L N 6.958 128.181 121.223 0.000 0.000 2.410 223 L HA 0.234 nan 4.340 nan 0.000 0.273 223 L C -1.238 175.636 176.870 0.007 0.000 1.152 223 L CA 0.558 55.290 54.840 -0.180 0.000 0.855 223 L CB 0.089 41.971 42.059 -0.295 0.000 1.129 223 L HN 0.179 8.460 8.230 0.085 0.000 0.463 224 R N 2.998 123.471 120.500 -0.046 0.000 2.795 224 R HA 0.735 nan 4.340 nan 0.000 0.268 224 R C -2.321 173.991 176.300 0.019 0.000 1.041 224 R CA -1.923 54.213 56.100 0.060 0.000 0.927 224 R CB 3.206 33.583 30.300 0.129 0.000 1.235 224 R HN 0.648 8.828 8.270 -0.150 0.000 0.463 225 T N -2.245 112.338 114.554 0.048 0.000 2.618 225 T HA 0.403 nan 4.350 nan 0.000 0.293 225 T C -0.762 173.963 174.700 0.042 0.000 1.093 225 T CA -1.238 60.881 62.100 0.031 0.000 1.061 225 T CB 1.823 70.694 68.868 0.005 0.000 1.498 225 T HN -0.320 7.972 8.240 0.086 0.000 0.494 226 Q N 0.008 119.818 119.800 0.016 0.000 2.112 226 Q HA -0.289 nan 4.340 nan 0.000 0.206 226 Q C 0.976 177.006 176.000 0.049 0.000 0.987 226 Q CA 2.960 58.775 55.803 0.020 0.000 0.858 226 Q CB 0.532 29.269 28.738 -0.000 0.000 0.905 226 Q HN 0.488 8.759 8.270 0.002 0.000 0.420 227 E N -6.701 113.490 120.200 -0.016 0.000 2.759 227 E HA -0.399 nan 4.350 nan 0.000 0.280 227 E C -1.902 174.558 176.600 -0.233 0.000 1.009 227 E CA 1.001 57.412 56.400 0.018 0.000 0.849 227 E CB -2.358 27.500 29.700 0.264 0.000 1.415 227 E HN 0.256 8.586 8.360 -0.051 0.000 0.412 228 S N -6.867 108.456 115.700 -0.628 0.000 2.627 228 S HA 0.201 nan 4.470 nan 0.000 0.268 228 S C -1.820 172.432 174.600 -0.581 0.000 1.130 228 S CA -1.446 56.279 58.200 -0.791 0.000 0.819 228 S CB 2.551 65.823 63.200 0.120 0.000 1.100 228 S HN -0.921 7.085 8.310 -0.464 0.025 0.465 229 E N -1.580 118.471 120.200 -0.249 0.000 2.481 229 E HA -0.170 nan 4.350 nan 0.000 0.263 229 E C -0.195 176.441 176.600 0.061 0.000 0.992 229 E CA 0.364 56.765 56.400 0.003 0.000 0.938 229 E CB 0.042 29.869 29.700 0.211 0.000 0.933 229 E HN 0.287 8.601 8.360 -0.077 0.000 0.453 230 c N -1.917 116.728 118.600 0.074 0.000 2.352 230 c HA 0.808 nan 4.570 nan 0.000 0.387 230 c C -0.355 173.796 174.090 0.103 0.000 1.294 230 c CA -2.512 53.858 56.329 0.068 0.000 2.137 230 c CB 1.679 44.227 42.510 0.063 0.000 2.146 230 c HN -0.390 7.785 8.230 0.097 0.113 0.559 231 V N -4.961 114.996 119.914 0.072 0.000 2.925 231 V HA 0.589 nan 4.120 nan 0.000 0.311 231 V C -2.323 173.852 176.094 0.135 0.000 1.104 231 V CA -1.669 60.688 62.300 0.095 0.000 0.954 231 V CB 3.683 35.477 31.823 -0.049 0.000 1.022 231 V HN -0.131 8.082 8.190 0.039 0.000 0.427 232 c N 3.003 121.759 118.600 0.260 0.000 2.561 232 c HA 0.981 nan 4.570 nan 0.000 0.319 232 c C -1.389 172.916 174.090 0.360 0.000 1.198 232 c CA -2.410 54.058 56.329 0.231 0.000 1.665 232 c CB 2.201 44.811 42.510 0.167 0.000 2.258 232 c HN 0.461 8.932 8.230 0.401 0.000 0.493 233 I N 0.414 121.130 120.570 0.243 0.000 2.569 233 I HA 0.214 nan 4.170 nan 0.000 0.290 233 I C -0.638 175.557 176.117 0.130 0.000 1.088 233 I CA -0.716 60.759 61.300 0.292 0.000 1.047 233 I CB 3.386 41.593 38.000 0.345 0.000 1.237 233 I HN 0.760 9.063 8.210 0.155 0.000 0.421 234 N N 6.522 125.283 118.700 0.101 0.000 2.721 234 N HA -0.368 nan 4.740 nan 0.000 0.249 234 N C 0.382 175.717 175.510 -0.293 0.000 1.072 234 N CA 1.563 54.622 53.050 0.016 0.000 0.710 234 N CB -1.799 36.737 38.487 0.082 0.000 0.993 234 N HN 1.091 9.556 8.380 0.143 0.000 0.547 235 G N -5.509 102.948 108.800 -0.572 0.000 2.148 235 G HA2 -0.491 nan 3.960 nan 0.000 0.254 235 G HA3 -0.491 nan 3.960 nan 0.000 0.254 235 G C -1.582 173.038 174.900 -0.467 0.000 0.981 235 G CA 0.833 45.274 45.100 -1.099 0.000 0.670 235 G HN 0.173 8.268 8.290 -0.288 0.022 0.528 236 T N 2.049 116.491 114.554 -0.187 0.000 2.809 236 T HA 0.524 nan 4.350 nan 0.000 0.284 236 T C -1.624 173.091 174.700 0.025 0.000 0.992 236 T CA -0.269 61.805 62.100 -0.044 0.000 0.957 236 T CB 2.010 70.921 68.868 0.072 0.000 0.942 236 T HN -0.519 7.492 8.240 -0.124 0.155 0.439 237 c N 7.309 125.916 118.600 0.013 0.000 2.355 237 c HA 0.887 nan 4.570 nan 0.000 0.332 237 c C -0.534 173.547 174.090 -0.015 0.000 1.255 237 c CA -1.581 54.769 56.329 0.034 0.000 1.792 237 c CB 1.401 43.940 42.510 0.049 0.000 2.300 237 c HN 0.595 8.814 8.230 -0.020 0.000 0.515 238 T N 4.239 118.767 114.554 -0.043 0.000 2.902 238 T HA 0.591 nan 4.350 nan 0.000 0.283 238 T C -1.870 172.758 174.700 -0.121 0.000 1.009 238 T CA -1.513 60.476 62.100 -0.184 0.000 1.051 238 T CB 1.014 69.763 68.868 -0.197 0.000 0.999 238 T HN 0.876 9.116 8.240 0.001 0.000 0.474 239 V N 3.337 123.151 119.914 -0.167 0.000 2.777 239 V HA 0.645 nan 4.120 nan 0.000 0.306 239 V C -2.629 173.417 176.094 -0.080 0.000 1.112 239 V CA -0.459 61.802 62.300 -0.064 0.000 0.917 239 V CB 4.205 36.052 31.823 0.041 0.000 1.018 239 V HN 0.039 8.049 8.190 -0.299 0.000 0.426 240 V N 7.528 127.416 119.914 -0.043 0.000 2.417 240 V HA 0.910 nan 4.120 nan 0.000 0.291 240 V C -1.885 174.237 176.094 0.047 0.000 1.024 240 V CA -2.369 59.921 62.300 -0.017 0.000 0.861 240 V CB 2.017 33.814 31.823 -0.044 0.000 0.985 240 V HN 0.173 8.625 8.190 -0.035 -0.284 0.436 241 M N 9.187 128.866 119.600 0.132 0.000 2.664 241 M HA 0.697 nan 4.480 nan 0.000 0.314 241 M C -1.341 175.076 176.300 0.195 0.000 1.200 241 M CA -1.464 53.932 55.300 0.160 0.000 0.916 241 M CB 4.138 36.896 32.600 0.263 0.000 1.717 241 M HN 0.923 9.309 8.290 0.160 0.000 0.470 242 T N 1.940 116.525 114.554 0.051 0.000 2.909 242 T HA 0.652 nan 4.350 nan 0.000 0.299 242 T C -2.640 171.957 174.700 -0.171 0.000 1.073 242 T CA -0.069 62.047 62.100 0.027 0.000 0.999 242 T CB 3.042 71.905 68.868 -0.008 0.000 1.098 242 T HN 0.655 8.778 8.240 -0.022 0.104 0.477 243 D N 1.820 122.107 120.400 -0.189 0.000 2.934 243 D HA 0.757 nan 4.640 nan 0.000 0.230 243 D C -1.317 174.902 176.300 -0.134 0.000 1.204 243 D CA -1.133 52.661 54.000 -0.345 0.000 0.873 243 D CB 3.576 43.814 40.800 -0.937 0.000 1.645 243 D HN -0.025 8.346 8.370 0.001 0.000 0.502 244 G N 3.602 112.338 108.800 -0.106 0.000 2.306 244 G HA2 -0.210 nan 3.960 nan 0.000 0.262 244 G HA3 -0.210 nan 3.960 nan 0.000 0.262 244 G C -1.837 173.036 174.900 -0.044 0.000 1.263 244 G CA -0.373 44.692 45.100 -0.058 0.000 1.088 244 G HN 0.515 8.639 8.290 -0.120 0.094 0.489 245 S N 0.039 115.709 115.700 -0.049 0.000 2.544 245 S HA -0.159 nan 4.470 nan 0.000 0.290 245 S C 1.317 175.950 174.600 0.055 0.000 1.276 245 S CA -1.203 56.969 58.200 -0.046 0.000 1.075 245 S CB 0.298 63.416 63.200 -0.137 0.000 0.849 245 S HN 0.141 8.414 8.310 -0.062 0.000 0.494 246 A N 7.773 130.618 122.820 0.042 0.000 2.206 246 A HA 0.064 nan 4.320 nan 0.000 0.211 246 A C -0.337 177.278 177.584 0.051 0.000 1.158 246 A CA 1.454 53.549 52.037 0.098 0.000 0.761 246 A CB 0.036 19.062 19.000 0.044 0.000 0.801 246 A HN 0.683 8.830 8.150 -0.004 0.000 0.473 247 S N -3.835 111.838 115.700 -0.045 0.000 2.646 247 S HA 0.179 nan 4.470 nan 0.000 0.217 247 S C -1.667 172.582 174.600 -0.585 0.000 0.836 247 S CA -0.139 57.957 58.200 -0.174 0.000 1.094 247 S CB 0.365 63.526 63.200 -0.066 0.000 1.557 247 S HN -0.412 7.790 8.310 -0.068 0.068 0.449 248 G N -1.071 107.314 108.800 -0.692 0.000 2.488 248 G HA2 0.046 nan 3.960 nan 0.000 0.301 248 G HA3 0.046 nan 3.960 nan 0.000 0.301 248 G C -2.344 172.106 174.900 -0.750 0.000 1.339 248 G CA 0.016 44.364 45.100 -1.254 0.000 0.803 248 G HN -0.954 7.206 8.290 -0.218 0.000 0.482 249 R N -1.413 118.672 120.500 -0.691 0.000 2.504 249 R HA -0.147 nan 4.340 nan 0.000 0.291 249 R C -0.321 175.913 176.300 -0.110 0.000 0.974 249 R CA 1.015 56.999 56.100 -0.193 0.000 1.077 249 R CB -0.108 30.152 30.300 -0.066 0.000 0.926 249 R HN 0.287 8.060 8.270 -0.828 0.000 0.407 250 A N 4.492 127.274 122.820 -0.063 0.000 2.464 250 A HA 0.570 nan 4.320 nan 0.000 0.268 250 A C -1.477 176.124 177.584 0.027 0.000 1.244 250 A CA -1.743 50.259 52.037 -0.057 0.000 0.871 250 A CB 2.742 21.643 19.000 -0.166 0.000 1.400 250 A HN 0.057 8.190 8.150 -0.028 0.000 0.455 251 D N -0.679 119.785 120.400 0.106 0.000 2.420 251 D HA 0.238 nan 4.640 nan 0.000 0.255 251 D C -1.148 175.356 176.300 0.340 0.000 1.185 251 D CA -0.579 53.566 54.000 0.242 0.000 0.904 251 D CB 1.520 42.575 40.800 0.424 0.000 1.102 251 D HN 0.272 8.691 8.370 0.082 0.000 0.534 252 T N 5.464 120.123 114.554 0.175 0.000 2.837 252 T HA 0.554 nan 4.350 nan 0.000 0.285 252 T C -1.418 173.353 174.700 0.119 0.000 0.984 252 T CA -0.196 62.001 62.100 0.163 0.000 1.049 252 T CB 1.063 69.962 68.868 0.052 0.000 0.947 252 T HN 0.342 8.644 8.240 0.103 0.000 0.472 253 R N 3.144 123.734 120.500 0.151 0.000 2.771 253 R HA 0.941 nan 4.340 nan 0.000 0.274 253 R C -1.834 174.458 176.300 -0.014 0.000 0.987 253 R CA -1.306 54.786 56.100 -0.012 0.000 0.908 253 R CB 4.585 34.727 30.300 -0.264 0.000 1.213 253 R HN 0.852 9.286 8.270 0.273 0.000 0.468 254 I N 1.718 122.233 120.570 -0.091 0.000 2.362 254 I HA 0.602 nan 4.170 nan 0.000 0.289 254 I C -1.592 174.307 176.117 -0.363 0.000 0.994 254 I CA -0.772 60.400 61.300 -0.214 0.000 1.158 254 I CB 1.168 39.038 38.000 -0.216 0.000 1.315 254 I HN 0.819 8.871 8.210 -0.078 0.110 0.451 255 L N 5.556 126.538 121.223 -0.402 0.000 2.309 255 L HA 0.721 nan 4.340 nan 0.000 0.282 255 L C -1.260 175.240 176.870 -0.617 0.000 1.036 255 L CA -0.857 53.765 54.840 -0.363 0.000 0.806 255 L CB 1.178 43.158 42.059 -0.131 0.000 1.220 255 L HN 0.956 9.003 8.230 -0.306 0.000 0.429 256 F N 2.224 122.052 119.950 -0.202 0.000 2.449 256 F HA 0.610 nan 4.527 nan 0.000 0.342 256 F C -1.125 174.549 175.800 -0.210 0.000 1.127 256 F CA -1.101 56.772 58.000 -0.211 0.000 0.975 256 F CB 1.813 40.585 39.000 -0.380 0.000 1.146 256 F HN 0.336 8.635 8.300 -0.001 0.000 0.444 257 I N 0.503 121.044 120.570 -0.048 0.000 2.582 257 I HA 0.823 nan 4.170 nan 0.000 0.292 257 I C -2.509 173.540 176.117 -0.114 0.000 1.066 257 I CA -1.663 59.563 61.300 -0.123 0.000 1.053 257 I CB 3.844 41.722 38.000 -0.204 0.000 1.241 257 I HN 0.479 8.668 8.210 -0.035 0.000 0.421 258 E N 6.693 126.805 120.200 -0.147 0.000 2.199 258 E HA 0.320 nan 4.350 nan 0.000 0.265 258 E C -0.416 176.017 176.600 -0.277 0.000 0.882 258 E CA -1.557 54.728 56.400 -0.192 0.000 0.759 258 E CB 1.871 31.496 29.700 -0.124 0.000 1.148 258 E HN 0.704 8.890 8.360 -0.142 0.089 0.412 259 E N 6.034 125.933 120.200 -0.501 0.000 2.539 259 E HA -0.377 nan 4.350 nan 0.000 0.253 259 E C -1.021 175.188 176.600 -0.652 0.000 1.145 259 E CA 1.225 57.117 56.400 -0.847 0.000 0.738 259 E CB -0.956 28.549 29.700 -0.326 0.000 1.308 259 E HN 1.148 9.200 8.360 -0.512 0.000 0.409 260 G N -6.692 101.842 108.800 -0.444 0.000 2.213 260 G HA2 -0.362 nan 3.960 nan 0.000 0.236 260 G HA3 -0.362 nan 3.960 nan 0.000 0.236 260 G C -1.125 173.732 174.900 -0.072 0.000 0.991 260 G CA -0.005 45.060 45.100 -0.059 0.000 0.629 260 G HN 0.183 8.163 8.290 -0.464 0.032 0.517 261 K N 1.043 121.358 120.400 -0.141 0.000 2.185 261 K HA 0.236 nan 4.320 nan 0.000 0.269 261 K C -0.787 175.687 176.600 -0.211 0.000 0.987 261 K CA -1.692 54.505 56.287 -0.150 0.000 0.865 261 K CB 1.573 34.019 32.500 -0.090 0.000 1.090 261 K HN -0.405 7.556 8.250 -0.174 0.184 0.450 262 I N 7.643 128.040 120.570 -0.289 0.000 2.576 262 I HA -0.243 nan 4.170 nan 0.000 0.288 262 I C 0.472 176.495 176.117 -0.158 0.000 1.126 262 I CA 1.697 62.821 61.300 -0.293 0.000 1.362 262 I CB -0.994 36.792 38.000 -0.356 0.000 1.419 262 I HN 0.089 8.447 8.210 -0.299 -0.328 0.533 263 V N 2.604 122.456 119.914 -0.103 0.000 3.471 263 V HA 0.212 nan 4.120 nan 0.000 0.258 263 V C -0.878 175.208 176.094 -0.014 0.000 1.192 263 V CA -0.248 62.023 62.300 -0.048 0.000 1.116 263 V CB 0.844 32.654 31.823 -0.022 0.000 0.792 263 V HN 0.640 8.663 8.190 -0.100 0.107 0.459 264 H N -1.062 117.913 119.070 -0.158 0.000 3.060 264 H HA 0.210 nan 4.556 nan 0.000 0.330 264 H C -2.765 172.550 175.328 -0.021 0.000 1.305 264 H CA 0.380 56.307 56.048 -0.202 0.000 1.209 264 H CB 4.168 33.549 29.762 -0.636 0.000 1.913 264 H HN -0.660 7.603 8.280 -0.027 0.000 0.534 265 I N 3.059 123.213 120.570 -0.693 0.000 2.468 265 I HA 0.216 nan 4.170 nan 0.000 0.285 265 I C -1.193 174.747 176.117 -0.294 0.000 1.039 265 I CA -0.485 60.611 61.300 -0.340 0.000 1.074 265 I CB 2.836 40.624 38.000 -0.353 0.000 1.228 265 I HN 0.222 7.599 8.210 -1.389 0.000 0.436 266 S N 7.900 123.628 115.700 0.047 0.000 2.433 266 S HA 0.520 nan 4.470 nan 0.000 0.310 266 S C -2.058 172.543 174.600 0.001 0.000 1.097 266 S CA -2.460 55.816 58.200 0.126 0.000 1.103 266 S CB 0.969 64.389 63.200 0.367 0.000 0.992 266 S HN 0.783 9.172 8.310 0.132 0.000 0.469 267 P HA 0.278 nan 4.420 nan 0.000 0.285 267 P C -1.008 176.290 177.300 -0.003 0.000 1.259 267 P CA -0.792 62.275 63.100 -0.056 0.000 0.794 267 P CB 0.432 32.091 31.700 -0.068 0.000 0.940 268 L N 2.435 123.659 121.223 0.002 0.000 2.529 268 L HA -0.199 nan 4.340 nan 0.000 0.287 268 L C -0.522 176.361 176.870 0.022 0.000 1.241 268 L CA 1.596 56.445 54.840 0.016 0.000 0.857 268 L CB 0.404 42.474 42.059 0.017 0.000 1.113 268 L HN -0.201 8.026 8.230 -0.006 0.000 0.504 269 A N 3.991 126.826 122.820 0.024 0.000 2.594 269 A HA 0.491 nan 4.320 nan 0.000 0.291 269 A C -1.612 175.985 177.584 0.022 0.000 1.105 269 A CA -0.823 51.229 52.037 0.026 0.000 0.694 269 A CB 2.596 21.612 19.000 0.028 0.000 1.291 269 A HN 0.391 8.554 8.150 0.020 0.000 0.410 270 G N 0.309 109.124 108.800 0.025 0.000 2.409 270 G HA2 -0.200 nan 3.960 nan 0.000 0.421 270 G HA3 -0.200 nan 3.960 nan 0.000 0.421 270 G C -0.475 174.448 174.900 0.037 0.000 1.259 270 G CA -0.165 44.948 45.100 0.022 0.000 1.011 270 G HN -0.173 8.134 8.290 0.028 0.000 0.497 271 S N 0.882 116.607 115.700 0.043 0.000 2.524 271 S HA -0.019 nan 4.470 nan 0.000 0.216 271 S C 0.807 175.500 174.600 0.154 0.000 0.987 271 S CA 0.163 58.416 58.200 0.087 0.000 0.909 271 S CB 1.189 64.445 63.200 0.093 0.000 0.781 271 S HN -0.214 8.113 8.310 0.028 0.000 0.521 272 A N 1.831 124.688 122.820 0.062 0.000 2.515 272 A HA -0.157 nan 4.320 nan 0.000 0.263 272 A C 0.035 177.711 177.584 0.153 0.000 1.096 272 A CA 0.905 52.943 52.037 0.001 0.000 0.769 272 A CB -0.106 18.768 19.000 -0.211 0.000 1.040 272 A HN -0.651 7.459 8.150 0.004 0.042 0.505 273 Q N 2.528 122.522 119.800 0.324 0.000 2.172 273 Q HA -0.241 nan 4.340 nan 0.000 0.200 273 Q C 0.313 176.557 176.000 0.407 0.000 0.964 273 Q CA 1.481 57.456 55.803 0.285 0.000 0.855 273 Q CB 1.062 29.878 28.738 0.130 0.000 0.918 273 Q HN 0.214 8.838 8.270 0.590 0.000 0.444 274 H N -4.486 114.736 119.070 0.252 0.000 3.179 274 H HA 0.157 nan 4.556 nan 0.000 0.331 274 H C -1.901 173.508 175.328 0.135 0.000 1.013 274 H CA -0.472 55.729 56.048 0.256 0.000 1.430 274 H CB 2.309 32.314 29.762 0.405 0.000 1.895 274 H HN -0.813 7.682 8.280 0.359 0.000 0.468 275 V N 6.932 126.863 119.914 0.029 0.000 2.472 275 V HA 0.370 nan 4.120 nan 0.000 0.290 275 V C -1.277 174.834 176.094 0.028 0.000 1.037 275 V CA -0.715 61.600 62.300 0.024 0.000 0.908 275 V CB 1.126 32.930 31.823 -0.032 0.000 0.985 275 V HN 0.556 8.671 8.190 -0.126 0.000 0.454 276 E N 3.164 123.404 120.200 0.068 0.000 2.430 276 E HA 0.246 nan 4.350 nan 0.000 0.279 276 E C -1.112 175.491 176.600 0.005 0.000 1.003 276 E CA -1.459 54.982 56.400 0.068 0.000 0.801 276 E CB 4.779 34.576 29.700 0.162 0.000 1.313 276 E HN -0.125 8.263 8.360 0.047 0.000 0.459 277 E N -0.863 119.343 120.200 0.011 0.000 1.948 277 E HA -0.440 nan 4.350 nan 0.000 0.176 277 E C -0.832 175.721 176.600 -0.079 0.000 1.347 277 E CA 0.506 56.900 56.400 -0.011 0.000 0.652 277 E CB -1.810 27.866 29.700 -0.041 0.000 1.039 277 E HN 0.492 8.878 8.360 0.043 0.000 0.304 278 c N -2.014 116.529 118.600 -0.095 0.000 2.674 278 c HA -0.241 nan 4.570 nan 0.000 0.405 278 c C 0.224 174.110 174.090 -0.340 0.000 1.285 278 c CA 1.367 57.577 56.329 -0.199 0.000 1.845 278 c CB -0.013 42.413 42.510 -0.141 0.000 2.689 278 c HN 0.179 8.377 8.230 -0.053 0.000 0.643 279 S N 2.462 117.763 115.700 -0.664 0.000 2.269 279 S HA 0.244 nan 4.470 nan 0.000 0.194 279 S C -1.136 173.211 174.600 -0.421 0.000 1.547 279 S CA -1.109 56.306 58.200 -1.309 0.000 1.186 279 S CB 0.392 61.874 63.200 -2.862 0.000 1.069 279 S HN 0.398 8.379 8.310 -0.548 0.000 0.473 280 c N 4.582 123.195 118.600 0.021 0.000 2.405 280 c HA 0.689 nan 4.570 nan 0.000 0.365 280 c C -0.938 173.303 174.090 0.251 0.000 1.233 280 c CA -0.971 55.395 56.329 0.062 0.000 2.230 280 c CB 0.339 42.838 42.510 -0.018 0.000 2.443 280 c HN 0.549 8.854 8.230 0.124 0.000 0.556 281 Y N -0.217 120.088 120.300 0.007 0.000 2.519 281 Y HA 0.422 nan 4.550 nan 0.000 0.336 281 Y C -3.388 172.409 175.900 -0.171 0.000 1.089 281 Y CA -3.167 54.889 58.100 -0.073 0.000 1.025 281 Y CB 0.229 38.682 38.460 -0.012 0.000 1.318 281 Y HN 0.809 8.920 8.280 -0.281 0.000 0.452 282 P HA 0.132 nan 4.420 nan 0.000 0.268 282 P C -1.303 175.972 177.300 -0.042 0.000 1.205 282 P CA 0.328 63.275 63.100 -0.255 0.000 0.771 282 P CB 0.571 31.872 31.700 -0.666 0.000 0.858 283 R N 2.768 123.256 120.500 -0.020 0.000 2.640 283 R HA 0.229 nan 4.340 nan 0.000 0.240 283 R C -0.839 175.514 176.300 0.087 0.000 1.519 283 R CA -0.737 55.389 56.100 0.044 0.000 1.570 283 R CB 1.548 31.811 30.300 -0.062 0.000 1.446 283 R HN 0.419 8.667 8.270 -0.038 0.000 0.738 284 Y N 4.660 124.983 120.300 0.039 0.000 3.119 284 Y HA -0.271 nan 4.550 nan 0.000 0.348 284 Y C -1.252 174.672 175.900 0.039 0.000 1.267 284 Y CA 0.423 58.562 58.100 0.063 0.000 1.578 284 Y CB 0.140 38.667 38.460 0.112 0.000 1.198 284 Y HN 0.311 8.771 8.280 0.301 0.000 0.615 285 P HA 0.155 nan 4.420 nan 0.000 0.255 285 P C -1.746 175.366 177.300 -0.315 0.000 1.357 285 P CA -0.097 62.477 63.100 -0.877 0.000 0.839 285 P CB 0.527 31.724 31.700 -0.839 0.000 1.356 286 G N -1.091 107.626 108.800 -0.138 0.000 3.013 286 G HA2 0.520 nan 3.960 nan 0.000 0.278 286 G HA3 0.520 nan 3.960 nan 0.000 0.278 286 G C -2.942 171.918 174.900 -0.067 0.000 1.353 286 G CA -1.296 43.761 45.100 -0.072 0.000 1.043 286 G HN -0.529 7.526 8.290 -0.104 0.173 0.523 287 V N -1.936 117.927 119.914 -0.086 0.000 2.680 287 V HA 0.779 nan 4.120 nan 0.000 0.309 287 V C -1.820 174.129 176.094 -0.241 0.000 1.052 287 V CA -1.547 60.656 62.300 -0.162 0.000 0.908 287 V CB 3.178 34.940 31.823 -0.101 0.000 1.001 287 V HN -0.198 7.960 8.190 -0.055 0.000 0.431 288 R N 2.977 123.201 120.500 -0.459 0.000 2.621 288 R HA 0.800 nan 4.340 nan 0.000 0.292 288 R C -2.076 173.954 176.300 -0.450 0.000 0.969 288 R CA -1.733 54.075 56.100 -0.486 0.000 0.887 288 R CB 4.076 33.977 30.300 -0.666 0.000 1.180 288 R HN 0.549 8.456 8.270 -0.606 0.000 0.450 289 c N 4.919 123.374 118.600 -0.242 0.000 2.441 289 c HA 0.634 nan 4.570 nan 0.000 0.318 289 c C -1.181 172.805 174.090 -0.173 0.000 1.222 289 c CA -1.493 54.713 56.329 -0.205 0.000 1.474 289 c CB 2.473 44.875 42.510 -0.181 0.000 2.125 289 c HN 0.246 8.367 8.230 -0.182 0.000 0.479 290 I N 4.227 124.646 120.570 -0.252 0.000 2.388 290 I HA 0.543 nan 4.170 nan 0.000 0.281 290 I C -0.756 175.154 176.117 -0.344 0.000 1.046 290 I CA -1.982 59.192 61.300 -0.211 0.000 1.187 290 I CB -1.568 36.352 38.000 -0.134 0.000 1.351 290 I HN 0.172 8.049 8.210 -0.382 0.104 0.472 291 c N 6.173 124.631 118.600 -0.236 0.000 2.596 291 c HA 0.604 nan 4.570 nan 0.000 0.372 291 c C -0.476 173.540 174.090 -0.123 0.000 1.881 291 c CA -2.034 54.170 56.329 -0.209 0.000 1.902 291 c CB 1.748 44.171 42.510 -0.145 0.000 1.922 291 c HN 0.785 8.902 8.230 -0.188 0.000 0.495 292 R N 0.988 121.453 120.500 -0.059 0.000 2.387 292 R HA 0.199 nan 4.340 nan 0.000 0.314 292 R C -2.171 174.186 176.300 0.095 0.000 0.958 292 R CA -1.091 55.013 56.100 0.006 0.000 0.846 292 R CB 2.224 32.521 30.300 -0.006 0.000 1.147 292 R HN 0.150 8.279 8.270 -0.056 0.106 0.447 293 D N 5.587 126.056 120.400 0.115 0.000 2.317 293 D HA 0.026 nan 4.640 nan 0.000 0.234 293 D C -1.027 175.316 176.300 0.071 0.000 1.112 293 D CA -0.897 53.210 54.000 0.179 0.000 0.840 293 D CB 0.837 41.785 40.800 0.246 0.000 1.078 293 D HN 0.150 8.573 8.370 0.089 0.000 0.486 294 N N 7.306 125.970 118.700 -0.059 0.000 2.236 294 N HA 0.037 nan 4.740 nan 0.000 0.196 294 N C -0.911 174.501 175.510 -0.162 0.000 1.114 294 N CA -0.150 52.812 53.050 -0.146 0.000 0.859 294 N CB 0.984 39.401 38.487 -0.116 0.000 0.982 294 N HN 0.335 8.699 8.380 -0.027 0.000 0.493 295 W N 1.089 122.122 121.300 -0.445 0.000 3.411 295 W HA 0.257 nan 4.660 nan 0.000 0.247 295 W C -0.806 175.649 176.519 -0.106 0.000 0.941 295 W CA 1.687 58.873 57.345 -0.265 0.000 2.293 295 W CB 1.695 30.998 29.460 -0.261 0.000 1.210 295 W HN -0.056 8.290 8.180 -0.165 -0.266 0.584 296 K N -3.414 116.770 120.400 -0.360 0.000 2.373 296 K HA 0.141 nan 4.320 nan 0.000 0.202 296 K C -0.746 175.709 176.600 -0.242 0.000 1.025 296 K CA -0.855 55.176 56.287 -0.426 0.000 1.115 296 K CB 0.815 32.870 32.500 -0.742 0.000 0.858 296 K HN -0.584 7.543 8.250 -0.333 -0.076 0.525 297 G N -2.211 106.519 108.800 -0.117 0.000 2.482 297 G HA2 0.360 nan 3.960 nan 0.000 0.317 297 G HA3 0.360 nan 3.960 nan 0.000 0.317 297 G C -1.248 173.647 174.900 -0.008 0.000 1.241 297 G CA -0.858 44.198 45.100 -0.074 0.000 0.967 297 G HN -0.719 7.714 8.290 -0.065 -0.182 0.482 298 S N -0.320 115.366 115.700 -0.023 0.000 2.514 298 S HA 0.206 nan 4.470 nan 0.000 0.223 298 S C -0.585 174.034 174.600 0.032 0.000 1.046 298 S CA 0.792 58.994 58.200 0.004 0.000 0.914 298 S CB 2.108 65.298 63.200 -0.016 0.000 0.807 298 S HN -0.152 8.334 8.310 -0.068 -0.217 0.497 299 N N 0.232 118.955 118.700 0.037 0.000 2.424 299 N HA -0.129 nan 4.740 nan 0.000 0.257 299 N C -1.382 174.250 175.510 0.203 0.000 1.250 299 N CA -0.873 52.234 53.050 0.094 0.000 0.946 299 N CB 0.662 39.188 38.487 0.066 0.000 1.175 299 N HN -0.983 7.390 8.380 -0.011 0.000 0.477 300 R N -2.615 117.982 120.500 0.162 0.000 2.407 300 R HA 0.476 nan 4.340 nan 0.000 0.303 300 R C -1.936 174.337 176.300 -0.044 0.000 0.981 300 R CA -3.137 53.014 56.100 0.084 0.000 0.905 300 R CB 1.364 31.674 30.300 0.017 0.000 1.099 300 R HN 0.295 8.638 8.270 0.122 0.000 0.459 301 P HA 0.399 nan 4.420 nan 0.000 0.277 301 P C -1.683 175.449 177.300 -0.280 0.000 1.240 301 P CA -0.513 62.234 63.100 -0.589 0.000 0.798 301 P CB 0.548 31.902 31.700 -0.577 0.000 0.979 302 V N 0.407 120.173 119.914 -0.247 0.000 2.628 302 V HA 0.618 nan 4.120 nan 0.000 0.306 302 V C -0.893 175.142 176.094 -0.098 0.000 1.045 302 V CA -1.236 61.009 62.300 -0.092 0.000 0.905 302 V CB 2.885 34.718 31.823 0.016 0.000 0.997 302 V HN 0.669 8.546 8.190 -0.341 0.109 0.436 303 V N 5.951 125.821 119.914 -0.072 0.000 2.462 303 V HA 0.321 nan 4.120 nan 0.000 0.288 303 V C -1.587 174.476 176.094 -0.051 0.000 1.020 303 V CA -0.923 61.338 62.300 -0.064 0.000 0.857 303 V CB 2.149 33.924 31.823 -0.079 0.000 1.013 303 V HN 0.491 8.639 8.190 -0.072 0.000 0.431 304 D N 8.375 128.763 120.400 -0.019 0.000 2.249 304 D HA 0.546 nan 4.640 nan 0.000 0.246 304 D C -1.230 175.071 176.300 0.002 0.000 1.114 304 D CA -0.463 53.528 54.000 -0.015 0.000 0.854 304 D CB 1.744 42.555 40.800 0.019 0.000 1.132 304 D HN 0.613 8.872 8.370 -0.007 0.107 0.461 305 I N 3.826 124.394 120.570 -0.002 0.000 2.362 305 I HA 0.242 nan 4.170 nan 0.000 0.289 305 I C -1.736 174.425 176.117 0.073 0.000 0.994 305 I CA -1.260 60.078 61.300 0.062 0.000 1.158 305 I CB 2.123 40.156 38.000 0.056 0.000 1.315 305 I HN 0.357 8.544 8.210 -0.039 0.000 0.451 306 N N 7.754 126.513 118.700 0.100 0.000 2.437 306 N HA 0.176 nan 4.740 nan 0.000 0.243 306 N C 0.388 175.952 175.510 0.090 0.000 1.041 306 N CA -0.876 52.201 53.050 0.045 0.000 0.940 306 N CB 1.099 39.587 38.487 0.002 0.000 1.133 306 N HN 0.434 8.892 8.380 0.130 0.000 0.506 307 M N 4.975 124.617 119.600 0.071 0.000 2.267 307 M HA -0.262 nan 4.480 nan 0.000 0.263 307 M C 0.661 176.932 176.300 -0.049 0.000 1.063 307 M CA 2.034 57.403 55.300 0.115 0.000 1.090 307 M CB -1.383 31.263 32.600 0.076 0.000 1.392 307 M HN 0.458 8.762 8.290 0.023 0.000 0.422 308 E N -0.215 119.897 120.200 -0.146 0.000 1.997 308 E HA -0.229 nan 4.350 nan 0.000 0.196 308 E C 0.944 177.240 176.600 -0.506 0.000 0.990 308 E CA 1.597 57.837 56.400 -0.268 0.000 0.845 308 E CB 0.032 29.614 29.700 -0.198 0.000 0.795 308 E HN -0.317 8.024 8.360 -0.106 -0.044 0.479 309 D N -3.752 116.410 120.400 -0.396 0.000 2.319 309 D HA -0.072 nan 4.640 nan 0.000 0.230 309 D C 0.114 176.144 176.300 -0.451 0.000 1.094 309 D CA -0.546 53.165 54.000 -0.481 0.000 0.856 309 D CB -0.368 40.275 40.800 -0.262 0.000 0.915 309 D HN -0.139 8.379 8.370 -0.251 -0.298 0.517 310 Y N -4.429 115.687 120.300 -0.305 0.000 3.929 310 Y HA -0.522 nan 4.550 nan 0.000 0.225 310 Y C -0.717 175.150 175.900 -0.054 0.000 1.200 310 Y CA 0.250 58.145 58.100 -0.341 0.000 1.791 310 Y CB -3.310 34.679 38.460 -0.784 0.000 1.561 310 Y HN -0.291 7.687 8.280 -0.362 0.085 0.657 311 S N -0.516 115.231 115.700 0.078 0.000 2.601 311 S HA 0.110 nan 4.470 nan 0.000 0.271 311 S C -1.448 173.215 174.600 0.105 0.000 1.305 311 S CA 0.824 59.066 58.200 0.070 0.000 1.022 311 S CB 1.213 64.420 63.200 0.012 0.000 0.940 311 S HN -0.635 7.815 8.310 0.013 -0.131 0.525 312 I N 1.357 121.976 120.570 0.082 0.000 2.534 312 I HA 0.306 nan 4.170 nan 0.000 0.288 312 I C -1.462 174.678 176.117 0.038 0.000 1.077 312 I CA -1.480 59.861 61.300 0.069 0.000 1.051 312 I CB 3.090 41.137 38.000 0.078 0.000 1.234 312 I HN -0.117 8.133 8.210 0.067 0.000 0.425 313 D N 7.338 127.754 120.400 0.026 0.000 2.419 313 D HA 0.429 nan 4.640 nan 0.000 0.234 313 D C -2.012 174.290 176.300 0.002 0.000 1.014 313 D CA -1.745 52.265 54.000 0.017 0.000 0.919 313 D CB 3.349 44.162 40.800 0.023 0.000 1.366 313 D HN 0.430 8.816 8.370 0.026 0.000 0.490 314 S N -0.122 115.572 115.700 -0.010 0.000 2.550 314 S HA 0.739 nan 4.470 nan 0.000 0.270 314 S C -1.642 172.922 174.600 -0.060 0.000 1.145 314 S CA -0.877 57.294 58.200 -0.048 0.000 0.852 314 S CB 2.941 66.105 63.200 -0.060 0.000 1.119 314 S HN 0.050 8.359 8.310 -0.002 0.000 0.465 315 S N -1.055 114.566 115.700 -0.132 0.000 2.815 315 S HA 0.696 nan 4.470 nan 0.000 0.296 315 S C -2.225 172.181 174.600 -0.325 0.000 1.224 315 S CA -0.311 57.822 58.200 -0.110 0.000 0.938 315 S CB 1.712 64.876 63.200 -0.060 0.000 1.285 315 S HN 0.476 8.679 8.310 -0.178 0.000 0.549 316 Y N -1.325 118.923 120.300 -0.086 0.000 2.499 316 Y HA 0.538 nan 4.550 nan 0.000 0.347 316 Y C 0.248 176.065 175.900 -0.138 0.000 0.987 316 Y CA -0.863 57.187 58.100 -0.084 0.000 1.044 316 Y CB 2.878 41.293 38.460 -0.075 0.000 1.245 316 Y HN -0.490 7.848 8.280 0.096 0.000 0.461 317 V N -0.977 118.942 119.914 0.007 0.000 2.999 317 V HA 0.082 nan 4.120 nan 0.000 0.307 317 V C -0.156 175.885 176.094 -0.090 0.000 1.084 317 V CA -0.326 61.923 62.300 -0.085 0.000 1.155 317 V CB 0.688 32.518 31.823 0.012 0.000 0.975 317 V HN 0.855 9.073 8.190 0.047 0.000 0.490 318 c N 3.874 122.365 118.600 -0.183 0.000 2.486 318 c HA -0.100 nan 4.570 nan 0.000 0.279 318 c C 1.112 175.160 174.090 -0.069 0.000 1.302 318 c CA 2.605 58.849 56.329 -0.141 0.000 1.720 318 c CB -0.852 41.538 42.510 -0.200 0.000 2.030 318 c HN 0.872 8.924 8.230 -0.296 0.000 0.490 319 S N 0.668 116.346 115.700 -0.037 0.000 3.298 319 S HA -0.367 nan 4.470 nan 0.000 0.389 319 S C 0.891 175.488 174.600 -0.005 0.000 1.186 319 S CA 1.392 59.590 58.200 -0.003 0.000 1.034 319 S CB 0.162 63.383 63.200 0.036 0.000 0.735 319 S HN -0.550 7.736 8.310 -0.040 0.000 0.510 320 G N 6.024 114.814 108.800 -0.015 0.000 2.559 320 G HA2 -0.110 nan 3.960 nan 0.000 0.216 320 G HA3 -0.110 nan 3.960 nan 0.000 0.216 320 G C 0.537 175.430 174.900 -0.012 0.000 1.126 320 G CA 0.726 45.813 45.100 -0.022 0.000 0.778 320 G HN 0.429 8.640 8.290 -0.019 0.067 0.543 321 L N 0.030 121.259 121.223 0.010 0.000 1.909 321 L HA -0.181 nan 4.340 nan 0.000 0.216 321 L C -0.651 176.242 176.870 0.038 0.000 1.097 321 L CA 2.820 57.675 54.840 0.026 0.000 0.777 321 L CB 0.603 42.712 42.059 0.084 0.000 0.887 321 L HN -0.946 7.241 8.230 0.019 0.054 0.432 322 V N -6.548 113.405 119.914 0.066 0.000 2.913 322 V HA -0.105 nan 4.120 nan 0.000 0.425 322 V C -0.442 175.686 176.094 0.057 0.000 0.684 322 V CA 0.074 62.403 62.300 0.049 0.000 1.956 322 V CB 0.231 32.068 31.823 0.023 0.000 2.454 322 V HN -0.004 8.247 8.190 0.100 0.000 0.485 323 G N 4.754 113.579 108.800 0.042 0.000 3.820 323 G HA2 0.142 nan 3.960 nan 0.000 0.293 323 G HA3 0.142 nan 3.960 nan 0.000 0.293 323 G C -2.014 172.905 174.900 0.032 0.000 1.152 323 G CA -0.644 44.470 45.100 0.023 0.000 0.921 323 G HN 0.362 8.677 8.290 0.043 0.000 0.544 324 D N -0.592 119.831 120.400 0.039 0.000 2.392 324 D HA 0.309 nan 4.640 nan 0.000 0.246 324 D C -1.978 174.350 176.300 0.047 0.000 1.013 324 D CA -1.975 52.053 54.000 0.046 0.000 0.993 324 D CB 3.425 44.252 40.800 0.045 0.000 1.219 324 D HN -0.790 7.602 8.370 0.037 0.000 0.538 325 T N 1.923 116.511 114.554 0.056 0.000 3.011 325 T HA 0.493 nan 4.350 nan 0.000 0.303 325 T C -2.566 172.168 174.700 0.057 0.000 0.997 325 T CA -2.472 59.662 62.100 0.057 0.000 1.007 325 T CB 1.947 70.859 68.868 0.074 0.000 1.017 325 T HN 0.178 8.457 8.240 0.064 0.000 0.443 326 P HA 0.444 nan 4.420 nan 0.000 0.273 326 P C -1.718 175.595 177.300 0.022 0.000 1.250 326 P CA -0.465 62.653 63.100 0.030 0.000 0.793 326 P CB 0.686 32.400 31.700 0.023 0.000 1.011 327 R N -2.916 117.593 120.500 0.015 0.000 2.752 327 R HA 0.255 nan 4.340 nan 0.000 0.277 327 R C -2.136 174.164 176.300 -0.000 0.000 1.024 327 R CA -0.661 55.443 56.100 0.007 0.000 0.866 327 R CB 1.796 32.104 30.300 0.013 0.000 1.278 327 R HN -0.076 8.203 8.270 0.015 0.000 0.473 328 N N -1.430 117.265 118.700 -0.008 0.000 2.493 328 N HA 0.298 nan 4.740 nan 0.000 0.275 328 N C -0.174 175.330 175.510 -0.010 0.000 1.186 328 N CA -0.589 52.453 53.050 -0.013 0.000 0.978 328 N CB 0.826 39.300 38.487 -0.021 0.000 1.184 328 N HN 0.178 8.552 8.380 -0.010 0.000 0.487 329 D N -0.285 120.107 120.400 -0.013 0.000 2.362 329 D HA -0.071 nan 4.640 nan 0.000 0.242 329 D C 0.850 177.137 176.300 -0.022 0.000 1.132 329 D CA 0.216 54.207 54.000 -0.015 0.000 0.907 329 D CB 1.000 41.790 40.800 -0.017 0.000 1.195 329 D HN -0.193 8.169 8.370 -0.014 0.000 0.429 330 D N 1.365 121.749 120.400 -0.027 0.000 2.292 330 D HA -0.340 nan 4.640 nan 0.000 0.205 330 D C 1.878 178.154 176.300 -0.040 0.000 0.994 330 D CA 3.445 57.422 54.000 -0.038 0.000 0.897 330 D CB -0.679 40.085 40.800 -0.060 0.000 0.907 330 D HN 0.495 8.850 8.370 -0.026 0.000 0.467 331 R N -1.958 118.521 120.500 -0.035 0.000 2.140 331 R HA 0.068 nan 4.340 nan 0.000 0.213 331 R C 1.331 177.612 176.300 -0.031 0.000 1.059 331 R CA 0.837 56.916 56.100 -0.034 0.000 1.000 331 R CB 0.060 30.342 30.300 -0.031 0.000 0.910 331 R HN -0.548 7.846 8.270 -0.032 -0.143 0.455 332 S N -1.737 113.945 115.700 -0.029 0.000 2.562 332 S HA 0.144 nan 4.470 nan 0.000 0.246 332 S C -0.463 174.119 174.600 -0.031 0.000 1.056 332 S CA -0.331 57.851 58.200 -0.029 0.000 1.042 332 S CB 0.291 63.475 63.200 -0.026 0.000 0.822 332 S HN -0.227 8.070 8.310 -0.027 -0.003 0.465 333 S N 0.862 116.543 115.700 -0.032 0.000 2.664 333 S HA 0.366 nan 4.470 nan 0.000 0.304 333 S C -1.683 172.895 174.600 -0.037 0.000 1.099 333 S CA -0.361 57.820 58.200 -0.032 0.000 1.003 333 S CB 1.776 64.962 63.200 -0.023 0.000 1.092 333 S HN -0.528 7.690 8.310 -0.032 0.073 0.525 334 N N 0.369 119.044 118.700 -0.041 0.000 4.409 334 N HA 0.100 nan 4.740 nan 0.000 0.208 334 N C -2.639 172.835 175.510 -0.059 0.000 1.233 334 N CA -0.049 52.973 53.050 -0.048 0.000 0.881 334 N CB 1.859 40.316 38.487 -0.051 0.000 1.507 334 N HN -0.057 8.299 8.380 -0.041 0.000 0.511 335 S N -0.925 114.739 115.700 -0.061 0.000 2.570 335 S HA 0.304 nan 4.470 nan 0.000 0.270 335 S C -1.687 172.870 174.600 -0.072 0.000 1.149 335 S CA -1.175 56.981 58.200 -0.073 0.000 0.837 335 S CB 2.259 65.432 63.200 -0.046 0.000 1.124 335 S HN 0.262 8.539 8.310 -0.055 0.000 0.465 336 N N 1.200 119.851 118.700 -0.082 0.000 2.200 336 N HA 0.231 nan 4.740 nan 0.000 0.224 336 N C 0.272 175.740 175.510 -0.070 0.000 1.179 336 N CA -0.952 52.054 53.050 -0.074 0.000 0.877 336 N CB -0.110 38.332 38.487 -0.074 0.000 1.072 336 N HN 0.488 8.809 8.380 -0.099 0.000 0.519 337 c N -4.825 113.737 118.600 -0.062 0.000 5.421 337 c HA -0.367 nan 4.570 nan 0.000 0.284 337 c C 1.068 175.159 174.090 0.001 0.000 1.996 337 c CA 1.762 58.050 56.329 -0.068 0.000 1.808 337 c CB -2.518 39.907 42.510 -0.142 0.000 2.619 337 c HN -0.287 7.847 8.230 -0.055 0.064 0.505 338 R N -1.319 119.185 120.500 0.006 0.000 2.194 338 R HA 0.126 nan 4.340 nan 0.000 0.194 338 R C -0.414 175.935 176.300 0.081 0.000 0.985 338 R CA 1.569 57.696 56.100 0.046 0.000 1.104 338 R CB 1.627 31.923 30.300 -0.007 0.000 1.092 338 R HN 0.330 8.826 8.270 -0.036 -0.247 0.555 339 D N -1.482 118.848 120.400 -0.117 0.000 2.493 339 D HA 0.536 nan 4.640 nan 0.000 0.239 339 D C -2.659 173.165 176.300 -0.793 0.000 1.049 339 D CA -2.298 51.515 54.000 -0.312 0.000 1.008 339 D CB 0.947 41.627 40.800 -0.200 0.000 1.398 339 D HN -0.321 8.278 8.370 -0.143 -0.314 0.513 340 P HA -0.107 nan 4.420 nan 0.000 0.266 340 P C -1.185 175.821 177.300 -0.490 0.000 1.195 340 P CA 0.469 63.026 63.100 -0.905 0.000 0.768 340 P CB 0.358 31.723 31.700 -0.558 0.000 0.838 341 N N 3.967 122.452 118.700 -0.358 0.000 2.521 341 N HA -0.322 nan 4.740 nan 0.000 0.188 341 N C 0.553 175.955 175.510 -0.180 0.000 1.146 341 N CA -0.009 52.908 53.050 -0.221 0.000 0.893 341 N CB 0.327 38.723 38.487 -0.151 0.000 0.975 341 N HN -0.058 8.411 8.380 -0.354 -0.301 0.451 342 N N -1.627 116.950 118.700 -0.205 0.000 2.708 342 N HA -0.445 nan 4.740 nan 0.000 0.249 342 N C -1.716 173.724 175.510 -0.116 0.000 1.097 342 N CA 1.882 54.829 53.050 -0.171 0.000 0.710 342 N CB -0.628 37.759 38.487 -0.166 0.000 1.032 342 N HN -0.245 7.916 8.380 -0.254 0.067 0.551 343 E N -0.031 120.110 120.200 -0.098 0.000 2.186 343 E HA 0.189 nan 4.350 nan 0.000 0.255 343 E C -1.188 175.383 176.600 -0.049 0.000 0.881 343 E CA -1.305 55.056 56.400 -0.066 0.000 0.752 343 E CB 0.754 30.419 29.700 -0.058 0.000 1.176 343 E HN -0.637 7.880 8.360 -0.111 -0.224 0.421 344 R N 2.537 123.015 120.500 -0.037 0.000 3.416 344 R HA -0.315 nan 4.340 nan 0.000 0.263 344 R C 0.095 176.383 176.300 -0.020 0.000 1.053 344 R CA 0.374 56.462 56.100 -0.020 0.000 0.705 344 R CB -1.677 28.616 30.300 -0.011 0.000 1.124 344 R HN 0.522 8.768 8.270 -0.039 0.000 0.444 345 G N -2.899 105.878 108.800 -0.039 0.000 2.403 345 G HA2 -0.154 nan 3.960 nan 0.000 0.216 345 G HA3 -0.154 nan 3.960 nan 0.000 0.216 345 G C -0.416 174.478 174.900 -0.011 0.000 1.154 345 G CA 0.224 45.297 45.100 -0.046 0.000 0.784 345 G HN 0.341 8.601 8.290 -0.051 -0.000 0.538 346 T N -1.211 113.351 114.554 0.013 0.000 2.903 346 T HA -0.118 nan 4.350 nan 0.000 0.314 346 T C -0.698 174.020 174.700 0.029 0.000 1.078 346 T CA 0.006 62.131 62.100 0.042 0.000 1.114 346 T CB -0.223 68.683 68.868 0.065 0.000 0.987 346 T HN -0.452 7.793 8.240 0.009 0.000 0.548 347 Q N 0.517 120.334 119.800 0.029 0.000 0.299 347 Q HA -0.403 nan 4.340 nan 0.000 0.287 347 Q C -1.483 174.544 176.000 0.044 0.000 1.090 347 Q CA 0.252 56.078 55.803 0.040 0.000 0.220 347 Q CB 0.395 29.160 28.738 0.044 0.000 5.642 347 Q HN 0.316 8.609 8.270 0.024 -0.009 0.295 348 G N -5.752 103.087 108.800 0.065 0.000 2.336 348 G HA2 0.208 nan 3.960 nan 0.000 0.286 348 G HA3 0.208 nan 3.960 nan 0.000 0.286 348 G C -3.695 171.262 174.900 0.094 0.000 1.269 348 G CA -0.136 45.004 45.100 0.067 0.000 0.873 348 G HN -0.255 8.082 8.290 0.078 0.000 0.494 349 V N -1.701 118.252 119.914 0.066 0.000 3.023 349 V HA 0.240 nan 4.120 nan 0.000 0.294 349 V C -2.095 173.948 176.094 -0.084 0.000 1.324 349 V CA -1.700 60.635 62.300 0.058 0.000 0.979 349 V CB 4.036 35.958 31.823 0.165 0.000 1.093 349 V HN -0.273 8.076 8.190 0.044 -0.134 0.434 350 K N 7.176 127.328 120.400 -0.413 0.000 2.453 350 K HA -0.094 nan 4.320 nan 0.000 0.280 350 K C -1.096 175.527 176.600 0.039 0.000 1.045 350 K CA 1.611 57.707 56.287 -0.319 0.000 1.059 350 K CB 0.462 32.542 32.500 -0.699 0.000 0.901 350 K HN 0.445 8.181 8.250 -0.858 0.000 0.475 351 G N 2.898 111.773 108.800 0.126 0.000 3.015 351 G HA2 0.565 nan 3.960 nan 0.000 0.281 351 G HA3 0.565 nan 3.960 nan 0.000 0.281 351 G C -3.159 171.961 174.900 0.366 0.000 1.386 351 G CA -1.211 44.040 45.100 0.252 0.000 0.959 351 G HN -0.237 8.059 8.290 0.009 0.000 0.522 352 W N -2.868 118.423 121.300 -0.015 0.000 3.074 352 W HA 0.283 nan 4.660 nan 0.000 0.332 352 W C -2.556 173.967 176.519 0.008 0.000 1.253 352 W CA 0.164 57.516 57.345 0.012 0.000 1.180 352 W CB 4.587 34.036 29.460 -0.019 0.000 1.445 352 W HN 0.196 8.550 8.180 0.290 0.000 0.573 353 A N -1.142 121.845 122.820 0.278 0.000 2.544 353 A HA 0.627 nan 4.320 nan 0.000 0.291 353 A C -2.911 174.857 177.584 0.306 0.000 1.055 353 A CA 0.078 52.232 52.037 0.195 0.000 0.651 353 A CB 2.907 21.984 19.000 0.128 0.000 1.296 353 A HN 0.210 8.523 8.150 0.271 0.000 0.431 354 F N -4.414 115.615 119.950 0.132 0.000 2.665 354 F HA 0.541 nan 4.527 nan 0.000 0.308 354 F C -2.418 173.409 175.800 0.046 0.000 1.112 354 F CA -1.737 56.249 58.000 -0.022 0.000 0.972 354 F CB 2.860 41.587 39.000 -0.456 0.000 1.295 354 F HN 0.580 8.832 8.300 -0.079 0.000 0.440 355 D N 1.617 122.149 120.400 0.219 0.000 2.372 355 D HA 0.005 nan 4.640 nan 0.000 0.243 355 D C -0.846 175.582 176.300 0.213 0.000 1.121 355 D CA -0.516 53.453 54.000 -0.052 0.000 0.898 355 D CB 0.247 40.664 40.800 -0.638 0.000 1.202 355 D HN -0.039 8.501 8.370 0.282 0.000 0.428 356 N N 1.371 120.136 118.700 0.108 0.000 2.722 356 N HA -0.012 nan 4.740 nan 0.000 0.242 356 N C 0.019 175.585 175.510 0.093 0.000 1.398 356 N CA -0.266 52.901 53.050 0.194 0.000 0.755 356 N CB 1.387 40.057 38.487 0.306 0.000 1.268 356 N HN 0.189 8.583 8.380 0.022 0.000 0.522 357 G N 6.149 114.980 108.800 0.051 0.000 2.565 357 G HA2 -0.375 nan 3.960 nan 0.000 0.295 357 G HA3 -0.375 nan 3.960 nan 0.000 0.295 357 G C -0.611 174.347 174.900 0.097 0.000 1.165 357 G CA 1.041 46.176 45.100 0.059 0.000 0.977 357 G HN 0.084 8.390 8.290 0.027 0.000 0.546 358 N N 4.523 123.297 118.700 0.124 0.000 2.424 358 N HA 0.110 nan 4.740 nan 0.000 0.178 358 N C -0.850 174.768 175.510 0.180 0.000 1.060 358 N CA 0.898 54.057 53.050 0.183 0.000 0.901 358 N CB 0.440 38.996 38.487 0.116 0.000 0.979 358 N HN 0.199 8.635 8.380 0.093 0.000 0.451 359 D N -0.972 119.485 120.400 0.095 0.000 2.387 359 D HA 0.412 nan 4.640 nan 0.000 0.251 359 D C -1.942 174.362 176.300 0.006 0.000 1.141 359 D CA 0.177 54.181 54.000 0.007 0.000 0.987 359 D CB 1.509 42.246 40.800 -0.105 0.000 1.116 359 D HN -0.198 8.094 8.370 0.077 0.124 0.491 360 L N -0.936 120.207 121.223 -0.133 0.000 2.431 360 L HA 0.599 nan 4.340 nan 0.000 0.266 360 L C -2.393 174.227 176.870 -0.416 0.000 0.978 360 L CA -0.296 54.460 54.840 -0.140 0.000 0.822 360 L CB 4.248 46.339 42.059 0.052 0.000 1.310 360 L HN -0.477 7.624 8.230 -0.214 0.000 0.409 361 W N 5.454 126.483 121.300 -0.452 0.000 2.475 361 W HA 0.650 nan 4.660 nan 0.000 0.317 361 W C -1.287 174.963 176.519 -0.447 0.000 1.046 361 W CA -1.036 55.995 57.345 -0.522 0.000 1.215 361 W CB 2.270 31.152 29.460 -0.963 0.000 1.335 361 W HN 0.520 8.447 8.180 -0.421 0.000 0.471 362 M N -0.820 118.678 119.600 -0.170 0.000 2.716 362 M HA 0.933 nan 4.480 nan 0.000 0.278 362 M C -2.077 173.930 176.300 -0.487 0.000 1.281 362 M CA -1.168 53.971 55.300 -0.267 0.000 0.814 362 M CB 4.386 36.826 32.600 -0.266 0.000 1.719 362 M HN 0.467 8.641 8.290 -0.194 0.000 0.457 363 G N -3.259 105.277 108.800 -0.439 0.000 2.706 363 G HA2 0.821 nan 3.960 nan 0.000 0.297 363 G HA3 0.821 nan 3.960 nan 0.000 0.297 363 G C -2.150 172.449 174.900 -0.501 0.000 1.403 363 G CA -0.130 44.603 45.100 -0.610 0.000 0.954 363 G HN -0.327 7.810 8.290 -0.254 0.000 0.500 364 R N 0.115 120.123 120.500 -0.820 0.000 2.734 364 R HA 0.353 nan 4.340 nan 0.000 0.271 364 R C -1.482 174.498 176.300 -0.533 0.000 1.021 364 R CA -1.196 54.657 56.100 -0.412 0.000 0.893 364 R CB 2.869 33.067 30.300 -0.171 0.000 1.244 364 R HN 0.311 7.908 8.270 -1.123 0.000 0.464 365 T N -3.966 110.525 114.554 -0.105 0.000 2.926 365 T HA 0.212 nan 4.350 nan 0.000 0.307 365 T C 1.347 176.026 174.700 -0.035 0.000 1.059 365 T CA -0.477 61.630 62.100 0.011 0.000 1.122 365 T CB 0.327 69.269 68.868 0.122 0.000 0.972 365 T HN 0.417 8.667 8.240 0.017 0.000 0.545 366 I N 1.010 121.577 120.570 -0.005 0.000 2.353 366 I HA -0.339 nan 4.170 nan 0.000 0.248 366 I C -0.045 176.085 176.117 0.021 0.000 1.119 366 I CA 2.627 63.931 61.300 0.007 0.000 1.417 366 I CB 0.198 38.210 38.000 0.020 0.000 1.078 366 I HN -0.078 8.028 8.210 0.028 0.121 0.421 367 S N -1.311 114.409 115.700 0.032 0.000 2.565 367 S HA 0.023 nan 4.470 nan 0.000 0.276 367 S C 0.341 174.959 174.600 0.030 0.000 1.326 367 S CA -0.477 57.741 58.200 0.030 0.000 1.045 367 S CB 1.138 64.358 63.200 0.034 0.000 0.918 367 S HN -0.676 7.660 8.310 0.044 0.000 0.505 368 K N 0.928 121.342 120.400 0.023 0.000 2.400 368 K HA -0.030 nan 4.320 nan 0.000 0.194 368 K C 0.630 177.245 176.600 0.025 0.000 1.033 368 K CA 2.178 58.478 56.287 0.022 0.000 1.021 368 K CB -0.091 32.416 32.500 0.013 0.000 0.808 368 K HN 0.562 8.823 8.250 0.018 0.000 0.505 369 D N -1.667 118.748 120.400 0.025 0.000 2.527 369 D HA -0.057 nan 4.640 nan 0.000 0.249 369 D C 0.526 176.847 176.300 0.034 0.000 1.029 369 D CA 1.826 55.841 54.000 0.025 0.000 0.951 369 D CB 0.349 41.159 40.800 0.016 0.000 1.093 369 D HN -0.290 8.045 8.370 0.024 0.049 0.464 370 L N -1.727 119.518 121.223 0.037 0.000 2.335 370 L HA 0.311 nan 4.340 nan 0.000 0.268 370 L C -0.940 175.969 176.870 0.065 0.000 1.016 370 L CA -1.372 53.496 54.840 0.046 0.000 0.805 370 L CB 1.659 43.737 42.059 0.033 0.000 1.311 370 L HN -0.699 7.551 8.230 0.032 0.000 0.456 371 R N -0.088 120.460 120.500 0.081 0.000 3.268 371 R HA -0.002 nan 4.340 nan 0.000 0.217 371 R C -1.071 175.291 176.300 0.105 0.000 1.568 371 R CA 0.163 56.330 56.100 0.111 0.000 1.322 371 R CB -1.260 29.120 30.300 0.133 0.000 1.280 371 R HN 0.454 8.767 8.270 0.072 0.000 0.667 372 S N 2.069 117.828 115.700 0.097 0.000 2.538 372 S HA 0.613 nan 4.470 nan 0.000 0.288 372 S C -1.097 173.566 174.600 0.104 0.000 1.108 372 S CA -0.957 57.298 58.200 0.091 0.000 0.971 372 S CB 2.951 66.187 63.200 0.061 0.000 1.041 372 S HN -0.258 8.075 8.310 0.090 0.031 0.483 373 G N 4.838 113.713 108.800 0.124 0.000 2.846 373 G HA2 -0.342 nan 3.960 nan 0.000 0.660 373 G HA3 -0.342 nan 3.960 nan 0.000 0.660 373 G C -3.277 171.750 174.900 0.211 0.000 1.464 373 G CA 0.035 45.217 45.100 0.136 0.000 0.891 373 G HN 0.820 9.094 8.290 0.124 0.090 0.552 374 Y N 0.786 121.112 120.300 0.043 0.000 2.436 374 Y HA 0.414 nan 4.550 nan 0.000 0.327 374 Y C -2.756 173.145 175.900 0.001 0.000 1.138 374 Y CA -0.503 57.603 58.100 0.010 0.000 1.042 374 Y CB 3.649 42.111 38.460 0.003 0.000 1.302 374 Y HN 0.276 8.565 8.280 0.172 0.094 0.439 375 E N 4.807 124.708 120.200 -0.498 0.000 2.383 375 E HA 0.780 nan 4.350 nan 0.000 0.275 375 E C -2.778 173.567 176.600 -0.424 0.000 0.918 375 E CA -1.765 54.498 56.400 -0.228 0.000 0.764 375 E CB 5.012 34.706 29.700 -0.009 0.000 1.252 375 E HN 0.431 8.215 8.360 -0.959 0.000 0.449 376 T N -3.930 110.510 114.554 -0.189 0.000 2.907 376 T HA 1.016 nan 4.350 nan 0.000 0.292 376 T C -1.891 172.822 174.700 0.021 0.000 1.043 376 T CA -2.004 59.914 62.100 -0.303 0.000 1.003 376 T CB 2.733 71.454 68.868 -0.246 0.000 1.084 376 T HN 0.728 8.966 8.240 -0.003 0.000 0.483 377 F N -4.173 115.864 119.950 0.145 0.000 2.770 377 F HA 0.689 nan 4.527 nan 0.000 0.313 377 F C -2.804 172.935 175.800 -0.102 0.000 1.154 377 F CA -1.145 56.931 58.000 0.126 0.000 0.923 377 F CB 1.918 40.921 39.000 0.005 0.000 1.301 377 F HN 0.449 8.398 8.300 -0.585 0.000 0.449 378 K N -0.441 119.804 120.400 -0.258 0.000 2.110 378 K HA 0.678 nan 4.320 nan 0.000 0.263 378 K C -1.768 174.688 176.600 -0.239 0.000 0.975 378 K CA -1.853 53.939 56.287 -0.826 0.000 0.895 378 K CB 2.808 34.395 32.500 -1.521 0.000 1.060 378 K HN 0.284 8.477 8.250 -0.096 0.000 0.448 379 V N 5.264 125.051 119.914 -0.211 0.000 2.349 379 V HA 0.479 nan 4.120 nan 0.000 0.284 379 V C -0.003 176.024 176.094 -0.111 0.000 1.014 379 V CA -1.639 60.618 62.300 -0.072 0.000 0.826 379 V CB 0.782 32.623 31.823 0.029 0.000 1.009 379 V HN 0.382 8.373 8.190 -0.332 0.000 0.431 380 I N 7.292 127.801 120.570 -0.102 0.000 2.742 380 I HA -0.409 nan 4.170 nan 0.000 0.287 380 I C 1.043 177.139 176.117 -0.035 0.000 1.186 380 I CA 1.897 63.153 61.300 -0.073 0.000 1.417 380 I CB -1.015 36.952 38.000 -0.056 0.000 1.377 380 I HN 0.551 8.702 8.210 -0.098 0.000 0.556 381 G N 7.303 116.097 108.800 -0.010 0.000 2.168 381 G HA2 -0.437 nan 3.960 nan 0.000 0.263 381 G HA3 -0.437 nan 3.960 nan 0.000 0.263 381 G C 0.877 175.796 174.900 0.031 0.000 0.977 381 G CA 0.628 45.740 45.100 0.021 0.000 0.659 381 G HN 0.717 9.332 8.290 -0.013 -0.333 0.533 382 G N -0.611 108.207 108.800 0.029 0.000 2.586 382 G HA2 -0.232 nan 3.960 nan 0.000 0.215 382 G HA3 -0.232 nan 3.960 nan 0.000 0.215 382 G C -0.455 174.501 174.900 0.094 0.000 1.128 382 G CA 1.098 46.223 45.100 0.042 0.000 0.774 382 G HN 0.142 8.271 8.290 0.001 0.163 0.543 383 W N 0.785 122.078 121.300 -0.013 0.000 2.780 383 W HA 0.108 nan 4.660 nan 0.000 0.272 383 W C -0.175 176.354 176.519 0.016 0.000 1.116 383 W CA 1.933 59.285 57.345 0.012 0.000 1.600 383 W CB 1.573 31.051 29.460 0.031 0.000 1.086 383 W HN -0.042 8.213 8.180 0.230 0.063 0.584 384 S N -2.636 113.099 115.700 0.057 0.000 2.362 384 S HA -0.143 nan 4.470 nan 0.000 0.221 384 S C 0.840 175.400 174.600 -0.067 0.000 1.032 384 S CA 1.484 59.676 58.200 -0.013 0.000 0.973 384 S CB 0.702 63.971 63.200 0.115 0.000 0.849 384 S HN -0.729 7.714 8.310 0.221 0.000 0.465 385 T N 3.523 118.057 114.554 -0.034 0.000 2.856 385 T HA 0.464 nan 4.350 nan 0.000 0.292 385 T C -2.272 172.389 174.700 -0.065 0.000 0.980 385 T CA -2.899 59.175 62.100 -0.043 0.000 1.091 385 T CB 0.683 69.538 68.868 -0.021 0.000 0.936 385 T HN -0.484 7.755 8.240 -0.002 0.000 0.503 386 P HA -0.039 nan 4.420 nan 0.000 0.275 386 P C -0.427 176.841 177.300 -0.054 0.000 1.227 386 P CA -0.337 62.721 63.100 -0.071 0.000 0.781 386 P CB 0.297 31.957 31.700 -0.068 0.000 0.906 387 N N 1.207 119.876 118.700 -0.052 0.000 2.741 387 N HA -0.421 nan 4.740 nan 0.000 0.250 387 N C -0.695 174.793 175.510 -0.037 0.000 1.115 387 N CA 0.846 53.870 53.050 -0.043 0.000 0.724 387 N CB -0.293 38.167 38.487 -0.044 0.000 1.090 387 N HN 0.446 8.791 8.380 -0.059 0.000 0.558 388 S N -1.795 113.884 115.700 -0.034 0.000 2.498 388 S HA -0.104 nan 4.470 nan 0.000 0.281 388 S C -0.234 174.348 174.600 -0.030 0.000 1.265 388 S CA 0.494 58.676 58.200 -0.030 0.000 1.071 388 S CB 0.238 63.424 63.200 -0.023 0.000 0.894 388 S HN -0.562 7.688 8.310 -0.038 0.037 0.491 389 K N 5.458 125.832 120.400 -0.042 0.000 2.380 389 K HA 0.001 nan 4.320 nan 0.000 0.198 389 K C -0.327 176.223 176.600 -0.084 0.000 1.070 389 K CA -0.573 55.679 56.287 -0.059 0.000 1.040 389 K CB 0.652 33.115 32.500 -0.060 0.000 0.903 389 K HN 0.283 8.508 8.250 -0.042 0.000 0.549 390 S N 1.974 117.632 115.700 -0.070 0.000 2.507 390 S HA -0.223 nan 4.470 nan 0.000 0.299 390 S C -1.094 173.447 174.600 -0.098 0.000 1.214 390 S CA 0.548 58.701 58.200 -0.078 0.000 1.137 390 S CB -0.331 62.836 63.200 -0.056 0.000 1.009 390 S HN -0.157 8.121 8.310 -0.054 0.000 0.512 391 Q N 4.096 123.810 119.800 -0.143 0.000 2.297 391 Q HA 0.908 nan 4.340 nan 0.000 0.269 391 Q C -1.583 174.342 176.000 -0.125 0.000 1.051 391 Q CA -1.532 54.166 55.803 -0.174 0.000 0.869 391 Q CB 3.430 31.922 28.738 -0.411 0.000 1.346 391 Q HN -0.088 8.091 8.270 -0.151 0.000 0.457 392 I N -0.816 119.708 120.570 -0.078 0.000 3.033 392 I HA 0.286 nan 4.170 nan 0.000 0.306 392 I C -1.988 174.177 176.117 0.080 0.000 1.473 392 I CA -0.317 60.975 61.300 -0.013 0.000 0.951 392 I CB 3.316 41.303 38.000 -0.020 0.000 1.338 392 I HN 0.485 8.661 8.210 -0.057 0.000 0.518 393 N N -0.696 118.098 118.700 0.157 0.000 2.714 393 N HA -0.287 nan 4.740 nan 0.000 0.253 393 N C -1.981 173.765 175.510 0.394 0.000 1.024 393 N CA 0.807 54.044 53.050 0.311 0.000 0.726 393 N CB -1.039 37.716 38.487 0.446 0.000 0.908 393 N HN 0.110 8.563 8.380 0.121 0.000 0.542 394 R N -0.347 120.335 120.500 0.303 0.000 2.410 394 R HA 0.208 nan 4.340 nan 0.000 0.288 394 R C -1.190 175.288 176.300 0.297 0.000 1.051 394 R CA -0.108 56.187 56.100 0.324 0.000 1.021 394 R CB 1.308 31.738 30.300 0.216 0.000 1.032 394 R HN -0.483 7.920 8.270 0.221 0.000 0.481 395 Q N 3.829 123.795 119.800 0.276 0.000 2.315 395 Q HA 0.201 nan 4.340 nan 0.000 0.273 395 Q C -2.160 173.946 176.000 0.177 0.000 1.053 395 Q CA -1.051 54.898 55.803 0.244 0.000 0.817 395 Q CB 4.513 33.399 28.738 0.246 0.000 1.326 395 Q HN 0.198 8.634 8.270 0.277 0.000 0.423 396 V N 0.125 120.142 119.914 0.173 0.000 2.439 396 V HA 0.627 nan 4.120 nan 0.000 0.282 396 V C -1.349 174.857 176.094 0.186 0.000 1.039 396 V CA -1.653 60.729 62.300 0.137 0.000 0.913 396 V CB 0.771 32.659 31.823 0.108 0.000 0.983 396 V HN 0.507 8.815 8.190 0.196 0.000 0.460 397 I N 5.237 125.911 120.570 0.172 0.000 2.512 397 I HA 0.237 nan 4.170 nan 0.000 0.247 397 I C -0.240 176.053 176.117 0.294 0.000 1.094 397 I CA 0.098 61.518 61.300 0.200 0.000 1.427 397 I CB 0.518 38.557 38.000 0.065 0.000 1.149 397 I HN 0.499 8.689 8.210 0.154 0.112 0.438 398 V N -0.652 119.406 119.914 0.240 0.000 2.448 398 V HA 0.212 nan 4.120 nan 0.000 0.295 398 V C -1.326 174.850 176.094 0.136 0.000 1.025 398 V CA -2.147 60.272 62.300 0.197 0.000 0.859 398 V CB 1.550 33.499 31.823 0.210 0.000 0.988 398 V HN -0.586 7.757 8.190 0.254 0.000 0.431 399 D N 6.535 126.988 120.400 0.088 0.000 2.368 399 D HA 0.058 nan 4.640 nan 0.000 0.240 399 D C 0.779 177.114 176.300 0.058 0.000 1.169 399 D CA -0.051 53.983 54.000 0.058 0.000 0.906 399 D CB 0.709 41.525 40.800 0.026 0.000 1.187 399 D HN -0.219 8.197 8.370 0.076 0.000 0.435 400 S N 0.912 116.639 115.700 0.044 0.000 2.389 400 S HA -0.387 nan 4.470 nan 0.000 0.231 400 S C 0.571 175.192 174.600 0.036 0.000 1.052 400 S CA 2.902 61.125 58.200 0.038 0.000 1.053 400 S CB -0.217 62.999 63.200 0.026 0.000 0.886 400 S HN 0.388 8.721 8.310 0.039 0.000 0.456 401 D N -1.492 118.926 120.400 0.029 0.000 2.363 401 D HA 0.057 nan 4.640 nan 0.000 0.226 401 D C -0.942 175.377 176.300 0.030 0.000 1.020 401 D CA 1.385 55.399 54.000 0.023 0.000 0.892 401 D CB 0.133 40.941 40.800 0.013 0.000 0.900 401 D HN -0.438 8.081 8.370 0.027 -0.133 0.531 402 N N -0.826 117.902 118.700 0.048 0.000 2.292 402 N HA 0.258 nan 4.740 nan 0.000 0.303 402 N C -1.579 173.976 175.510 0.075 0.000 1.140 402 N CA -0.590 52.495 53.050 0.058 0.000 0.788 402 N CB 3.119 41.647 38.487 0.068 0.000 1.361 402 N HN -0.089 8.257 8.380 0.056 0.068 0.489 403 R N 0.893 121.436 120.500 0.073 0.000 2.490 403 R HA 0.124 nan 4.340 nan 0.000 0.280 403 R C -0.478 175.888 176.300 0.109 0.000 1.077 403 R CA 0.825 56.975 56.100 0.083 0.000 1.065 403 R CB 0.568 30.908 30.300 0.067 0.000 1.003 403 R HN 0.481 8.788 8.270 0.063 0.000 0.470 404 S N 2.322 118.096 115.700 0.124 0.000 4.302 404 S HA 0.407 nan 4.470 nan 0.000 0.218 404 S C -1.086 173.598 174.600 0.139 0.000 1.068 404 S CA -1.449 56.834 58.200 0.138 0.000 1.744 404 S CB 2.763 66.066 63.200 0.172 0.000 0.931 404 S HN 0.121 8.503 8.310 0.120 0.000 0.734 405 G N -0.333 108.568 108.800 0.168 0.000 2.566 405 G HA2 -0.013 nan 3.960 nan 0.000 0.138 405 G HA3 -0.013 nan 3.960 nan 0.000 0.138 405 G C -1.770 173.335 174.900 0.342 0.000 1.133 405 G CA 0.004 45.231 45.100 0.213 0.000 1.037 405 G HN -0.101 8.289 8.290 0.168 0.000 0.491 406 Y N 0.101 120.493 120.300 0.152 0.000 2.394 406 Y HA 0.019 nan 4.550 nan 0.000 0.351 406 Y C -0.445 175.523 175.900 0.113 0.000 1.272 406 Y CA -0.280 57.930 58.100 0.184 0.000 1.508 406 Y CB 0.975 39.589 38.460 0.257 0.000 1.369 406 Y HN -0.180 8.594 8.280 0.365 -0.275 0.639 407 S N -2.635 113.167 115.700 0.170 0.000 2.547 407 S HA 0.336 nan 4.470 nan 0.000 0.270 407 S C -2.211 172.051 174.600 -0.562 0.000 1.150 407 S CA -0.794 57.222 58.200 -0.307 0.000 0.850 407 S CB 2.637 65.689 63.200 -0.247 0.000 1.118 407 S HN 0.030 8.471 8.310 0.218 0.000 0.461 408 G N 0.705 108.517 108.800 -1.647 0.000 2.682 408 G HA2 0.450 nan 3.960 nan 0.000 0.290 408 G HA3 0.450 nan 3.960 nan 0.000 0.290 408 G C -3.183 170.538 174.900 -1.966 0.000 1.425 408 G CA -1.127 42.498 45.100 -2.458 0.000 0.807 408 G HN -0.319 6.777 8.290 -1.990 0.000 0.482 409 I N -0.975 118.519 120.570 -1.795 0.000 2.846 409 I HA 0.698 nan 4.170 nan 0.000 0.307 409 I C -2.175 174.041 176.117 0.164 0.000 1.053 409 I CA -2.384 58.599 61.300 -0.528 0.000 1.050 409 I CB 3.712 41.605 38.000 -0.178 0.000 1.239 409 I HN 0.126 7.199 8.210 -1.895 0.000 0.439 410 F N 1.380 121.340 119.950 0.017 0.000 2.596 410 F HA 0.549 nan 4.527 nan 0.000 0.311 410 F C -2.231 173.598 175.800 0.047 0.000 1.116 410 F CA -2.159 55.903 58.000 0.103 0.000 0.957 410 F CB 2.589 41.707 39.000 0.195 0.000 1.250 410 F HN -0.123 8.004 8.300 -0.115 0.104 0.444 411 S N 2.080 117.811 115.700 0.051 0.000 2.541 411 S HA 0.659 nan 4.470 nan 0.000 0.283 411 S C -0.510 174.187 174.600 0.161 0.000 1.196 411 S CA -0.531 57.627 58.200 -0.070 0.000 1.062 411 S CB 1.250 64.310 63.200 -0.233 0.000 1.009 411 S HN -0.121 8.478 8.310 0.157 -0.195 0.502 412 V N 3.347 123.328 119.914 0.113 0.000 2.588 412 V HA 0.245 nan 4.120 nan 0.000 0.304 412 V C -1.610 174.601 176.094 0.195 0.000 1.042 412 V CA -1.249 61.173 62.300 0.204 0.000 0.877 412 V CB 3.246 35.099 31.823 0.051 0.000 0.996 412 V HN 0.839 9.012 8.190 -0.029 0.000 0.425 413 E N 6.056 126.371 120.200 0.191 0.000 2.259 413 E HA 0.140 nan 4.350 nan 0.000 0.281 413 E C -0.611 175.998 176.600 0.016 0.000 1.037 413 E CA -0.205 56.243 56.400 0.080 0.000 0.854 413 E CB 1.007 30.667 29.700 -0.067 0.000 1.051 413 E HN 0.384 8.853 8.360 0.182 0.000 0.409 414 G N 3.845 112.646 108.800 0.003 0.000 2.828 414 G HA2 0.303 nan 3.960 nan 0.000 0.244 414 G HA3 0.303 nan 3.960 nan 0.000 0.244 414 G C -0.922 173.965 174.900 -0.022 0.000 1.365 414 G CA -1.122 43.968 45.100 -0.017 0.000 1.041 414 G HN -0.022 8.278 8.290 0.015 0.000 0.560 415 K N -0.521 119.866 120.400 -0.023 0.000 2.155 415 K HA -0.178 nan 4.320 nan 0.000 0.203 415 K C 0.862 177.449 176.600 -0.021 0.000 1.052 415 K CA 2.077 58.350 56.287 -0.023 0.000 0.948 415 K CB 0.245 32.733 32.500 -0.020 0.000 0.728 415 K HN 0.466 8.702 8.250 -0.023 0.000 0.448 416 S N -5.224 110.465 115.700 -0.018 0.000 2.679 416 S HA 0.043 nan 4.470 nan 0.000 0.258 416 S C -0.599 173.996 174.600 -0.009 0.000 1.068 416 S CA -0.199 57.993 58.200 -0.014 0.000 1.115 416 S CB 0.829 64.022 63.200 -0.012 0.000 1.078 416 S HN 0.004 8.302 8.310 -0.020 0.000 0.603 417 c N -1.808 116.786 118.600 -0.010 0.000 3.173 417 c HA 0.675 nan 4.570 nan 0.000 0.310 417 c C -1.901 172.191 174.090 0.003 0.000 1.306 417 c CA -3.011 53.316 56.329 -0.004 0.000 1.426 417 c CB 3.755 46.253 42.510 -0.019 0.000 1.800 417 c HN -0.858 7.363 8.230 -0.015 0.000 0.470 418 I N -2.093 118.492 120.570 0.025 0.000 2.342 418 I HA 0.494 nan 4.170 nan 0.000 0.291 418 I C -2.187 173.899 176.117 -0.052 0.000 1.010 418 I CA -1.231 60.103 61.300 0.057 0.000 1.308 418 I CB 0.933 39.052 38.000 0.197 0.000 1.400 418 I HN 0.531 8.756 8.210 0.025 0.000 0.488 419 N N 6.466 125.115 118.700 -0.084 0.000 2.443 419 N HA 0.260 nan 4.740 nan 0.000 0.295 419 N C -1.491 173.852 175.510 -0.278 0.000 1.076 419 N CA -1.174 51.760 53.050 -0.194 0.000 0.919 419 N CB 2.945 41.316 38.487 -0.193 0.000 1.176 419 N HN 0.525 8.887 8.380 -0.030 0.000 0.487 420 R N 1.726 122.003 120.500 -0.371 0.000 2.265 420 R HA 0.593 nan 4.340 nan 0.000 0.319 420 R C -1.047 175.098 176.300 -0.257 0.000 1.006 420 R CA -0.897 54.959 56.100 -0.407 0.000 0.880 420 R CB 0.947 30.803 30.300 -0.740 0.000 1.077 420 R HN 0.253 8.298 8.270 -0.375 0.000 0.454 421 c N 1.909 120.245 118.600 -0.441 0.000 3.028 421 c HA 1.025 nan 4.570 nan 0.000 0.338 421 c C -1.405 172.517 174.090 -0.279 0.000 1.366 421 c CA -1.621 54.383 56.329 -0.542 0.000 1.610 421 c CB 3.777 45.450 42.510 -1.395 0.000 2.063 421 c HN 0.616 8.527 8.230 -0.532 0.000 0.463 422 F N -3.079 116.739 119.950 -0.220 0.000 2.703 422 F HA 0.730 nan 4.527 nan 0.000 0.308 422 F C -3.474 172.364 175.800 0.063 0.000 1.126 422 F CA -1.324 56.581 58.000 -0.159 0.000 0.959 422 F CB 2.268 41.025 39.000 -0.404 0.000 1.297 422 F HN 0.773 8.839 8.300 -0.389 0.000 0.441 423 Y N -4.381 116.061 120.300 0.236 0.000 2.570 423 Y HA 0.832 nan 4.550 nan 0.000 0.345 423 Y C -2.326 173.636 175.900 0.103 0.000 1.014 423 Y CA -3.124 55.052 58.100 0.127 0.000 1.063 423 Y CB 2.293 40.807 38.460 0.091 0.000 1.272 423 Y HN -0.108 7.878 8.280 -0.489 0.000 0.477 424 V N -0.525 119.505 119.914 0.193 0.000 2.531 424 V HA 0.327 nan 4.120 nan 0.000 0.301 424 V C -1.690 174.539 176.094 0.224 0.000 1.034 424 V CA -1.481 60.842 62.300 0.038 0.000 0.865 424 V CB 1.747 33.501 31.823 -0.115 0.000 0.995 424 V HN 0.794 9.146 8.190 0.270 0.000 0.424 425 E N 6.669 127.023 120.200 0.258 0.000 2.194 425 E HA 0.340 nan 4.350 nan 0.000 0.284 425 E C -0.858 175.839 176.600 0.162 0.000 1.035 425 E CA -1.332 55.210 56.400 0.236 0.000 0.836 425 E CB 1.405 31.266 29.700 0.268 0.000 1.070 425 E HN 0.117 8.615 8.360 0.230 0.000 0.401 426 L N 7.717 129.028 121.223 0.146 0.000 2.272 426 L HA 0.331 nan 4.340 nan 0.000 0.284 426 L C -0.934 176.014 176.870 0.131 0.000 1.045 426 L CA -1.582 53.338 54.840 0.133 0.000 0.842 426 L CB 0.207 42.348 42.059 0.136 0.000 1.224 426 L HN 0.935 9.135 8.230 0.149 0.119 0.430 427 I N 5.529 126.169 120.570 0.118 0.000 2.472 427 I HA 0.224 nan 4.170 nan 0.000 0.290 427 I C -1.614 174.578 176.117 0.126 0.000 1.016 427 I CA -0.791 60.580 61.300 0.119 0.000 1.348 427 I CB 1.294 39.341 38.000 0.080 0.000 1.417 427 I HN -0.104 8.173 8.210 0.112 0.000 0.521 428 R N 5.432 126.043 120.500 0.185 0.000 2.725 428 R HA 0.493 nan 4.340 nan 0.000 0.277 428 R C -1.283 175.092 176.300 0.124 0.000 0.987 428 R CA -2.336 53.869 56.100 0.175 0.000 0.901 428 R CB 3.447 33.916 30.300 0.282 0.000 1.207 428 R HN 0.007 8.420 8.270 0.238 0.000 0.463 429 G N 1.540 110.232 108.800 -0.180 0.000 2.428 429 G HA2 -0.323 nan 3.960 nan 0.000 0.202 429 G HA3 -0.323 nan 3.960 nan 0.000 0.202 429 G C -1.329 173.367 174.900 -0.341 0.000 1.247 429 G CA -0.656 44.125 45.100 -0.532 0.000 1.020 429 G HN 0.352 8.911 8.290 -0.148 -0.358 0.529 430 R N 2.549 122.822 120.500 -0.379 0.000 2.598 430 R HA -0.288 nan 4.340 nan 0.000 0.266 430 R C 0.749 176.938 176.300 -0.184 0.000 0.977 430 R CA 1.004 56.936 56.100 -0.281 0.000 1.097 430 R CB 0.107 30.273 30.300 -0.224 0.000 0.911 430 R HN 0.473 8.347 8.270 -0.510 0.090 0.419 431 K N 0.697 120.978 120.400 -0.198 0.000 3.553 431 K HA -0.248 nan 4.320 nan 0.000 0.303 431 K C -0.518 176.008 176.600 -0.124 0.000 1.327 431 K CA 2.223 58.421 56.287 -0.148 0.000 0.983 431 K CB -1.128 31.304 32.500 -0.113 0.000 1.275 431 K HN 0.726 8.823 8.250 -0.255 0.000 0.453 432 Q N -3.384 116.333 119.800 -0.139 0.000 2.398 432 Q HA 0.097 nan 4.340 nan 0.000 0.238 432 Q C -0.889 175.034 176.000 -0.129 0.000 0.761 432 Q CA 0.866 56.605 55.803 -0.107 0.000 0.960 432 Q CB 2.495 31.190 28.738 -0.070 0.000 1.288 432 Q HN -0.286 7.783 8.270 -0.175 0.096 0.503 433 E N 1.670 121.764 120.200 -0.178 0.000 2.186 433 E HA 0.228 nan 4.350 nan 0.000 0.255 433 E C -0.661 175.766 176.600 -0.288 0.000 0.881 433 E CA -1.058 55.221 56.400 -0.202 0.000 0.752 433 E CB 1.097 30.676 29.700 -0.202 0.000 1.176 433 E HN -0.448 7.792 8.360 -0.200 0.000 0.421 434 T N 1.016 115.410 114.554 -0.266 0.000 3.144 434 T HA 0.166 nan 4.350 nan 0.000 0.249 434 T C 1.207 175.687 174.700 -0.367 0.000 1.089 434 T CA 0.891 62.780 62.100 -0.352 0.000 0.989 434 T CB 0.044 68.731 68.868 -0.301 0.000 0.992 434 T HN 0.569 8.684 8.240 -0.207 0.000 0.540 435 R N 1.063 121.395 120.500 -0.280 0.000 2.090 435 R HA -0.130 nan 4.340 nan 0.000 0.228 435 R C -0.550 175.626 176.300 -0.208 0.000 1.110 435 R CA 2.090 58.079 56.100 -0.184 0.000 0.973 435 R CB 0.191 30.428 30.300 -0.104 0.000 0.869 435 R HN -0.165 7.894 8.270 -0.261 0.055 0.440 436 V N -7.291 112.395 119.914 -0.380 0.000 2.973 436 V HA 0.218 nan 4.120 nan 0.000 0.314 436 V C -0.877 174.897 176.094 -0.533 0.000 1.066 436 V CA -3.172 58.875 62.300 -0.422 0.000 1.021 436 V CB 1.894 33.120 31.823 -0.995 0.000 1.076 436 V HN -0.889 7.026 8.190 -0.457 0.000 0.462 437 W N -1.300 119.837 121.300 -0.271 0.000 3.123 437 W HA 0.320 nan 4.660 nan 0.000 0.383 437 W C -1.132 175.385 176.519 -0.004 0.000 1.102 437 W CA -0.074 57.208 57.345 -0.105 0.000 1.865 437 W CB 0.331 29.794 29.460 0.006 0.000 1.111 437 W HN 0.172 8.479 8.180 0.212 0.000 0.621 438 W N -5.144 116.256 121.300 0.166 0.000 2.758 438 W HA 0.591 nan 4.660 nan 0.000 0.355 438 W C -2.581 173.976 176.519 0.063 0.000 1.223 438 W CA -2.143 55.274 57.345 0.119 0.000 1.182 438 W CB 2.023 31.553 29.460 0.117 0.000 1.464 438 W HN -0.963 6.777 8.180 -0.614 0.072 0.630 439 T N 0.136 115.072 114.554 0.638 0.000 3.032 439 T HA 0.621 nan 4.350 nan 0.000 0.312 439 T C -1.696 173.269 174.700 0.441 0.000 1.078 439 T CA -0.110 62.268 62.100 0.463 0.000 1.028 439 T CB 2.370 71.355 68.868 0.194 0.000 1.091 439 T HN 0.053 8.654 8.240 0.602 0.000 0.457 440 S N 3.417 119.364 115.700 0.412 0.000 2.800 440 S HA 0.617 nan 4.470 nan 0.000 0.293 440 S C -2.417 172.304 174.600 0.202 0.000 1.209 440 S CA -1.361 56.969 58.200 0.217 0.000 0.884 440 S CB 1.189 64.419 63.200 0.049 0.000 1.244 440 S HN 0.229 8.823 8.310 0.474 0.000 0.540 441 N N -1.534 117.256 118.700 0.150 0.000 3.046 441 N HA 0.387 nan 4.740 nan 0.000 0.243 441 N C -2.904 172.685 175.510 0.131 0.000 1.452 441 N CA 0.221 53.358 53.050 0.145 0.000 0.882 441 N CB 3.348 41.910 38.487 0.125 0.000 1.425 441 N HN -0.080 8.375 8.380 0.125 0.000 0.517 442 S N -1.820 113.956 115.700 0.127 0.000 2.715 442 S HA 0.882 nan 4.470 nan 0.000 0.307 442 S C -1.742 172.926 174.600 0.114 0.000 1.119 442 S CA -2.727 55.538 58.200 0.109 0.000 0.937 442 S CB 2.003 65.267 63.200 0.107 0.000 1.150 442 S HN 0.634 8.903 8.310 0.134 0.121 0.521 443 I N -3.928 116.698 120.570 0.093 0.000 2.969 443 I HA 0.974 nan 4.170 nan 0.000 0.307 443 I C -2.266 173.919 176.117 0.112 0.000 1.149 443 I CA -1.580 59.787 61.300 0.112 0.000 1.008 443 I CB 3.984 42.026 38.000 0.071 0.000 1.232 443 I HN -0.262 8.194 8.210 0.068 -0.205 0.435 444 V N -0.646 119.359 119.914 0.152 0.000 2.851 444 V HA 0.754 nan 4.120 nan 0.000 0.307 444 V C -2.514 173.684 176.094 0.174 0.000 1.129 444 V CA -1.483 60.913 62.300 0.159 0.000 0.932 444 V CB 2.699 34.665 31.823 0.238 0.000 1.024 444 V HN -0.072 8.230 8.190 0.187 0.000 0.426 445 V N 1.618 121.619 119.914 0.144 0.000 2.760 445 V HA 1.001 nan 4.120 nan 0.000 0.309 445 V C -2.638 173.476 176.094 0.035 0.000 1.077 445 V CA -2.448 59.924 62.300 0.120 0.000 0.910 445 V CB 3.553 35.546 31.823 0.283 0.000 1.008 445 V HN 0.547 8.786 8.190 0.081 0.000 0.424 446 F N 5.979 125.510 119.950 -0.698 0.000 2.546 446 F HA 0.827 nan 4.527 nan 0.000 0.320 446 F C -1.517 173.945 175.800 -0.564 0.000 1.076 446 F CA -2.942 54.667 58.000 -0.653 0.000 0.928 446 F CB 4.530 43.013 39.000 -0.861 0.000 1.189 446 F HN 0.340 8.181 8.300 -0.764 0.000 0.465 447 c N 1.045 119.518 118.600 -0.211 0.000 2.561 447 c HA 0.741 nan 4.570 nan 0.000 0.319 447 c C -0.285 173.789 174.090 -0.027 0.000 1.198 447 c CA -1.264 54.920 56.329 -0.242 0.000 1.665 447 c CB 3.814 45.951 42.510 -0.621 0.000 2.258 447 c HN 0.709 8.805 8.230 -0.223 0.000 0.493 448 G N 2.342 111.102 108.800 -0.066 0.000 2.554 448 G HA2 0.141 nan 3.960 nan 0.000 0.238 448 G HA3 0.141 nan 3.960 nan 0.000 0.238 448 G C -1.103 173.597 174.900 -0.333 0.000 1.259 448 G CA 0.757 45.596 45.100 -0.435 0.000 0.843 448 G HN 0.208 8.452 8.290 -0.076 0.000 0.582 449 T N 0.064 114.407 114.554 -0.351 0.000 2.841 449 T HA 0.375 nan 4.350 nan 0.000 0.296 449 T C -0.825 173.803 174.700 -0.121 0.000 1.166 449 T CA -1.309 60.690 62.100 -0.168 0.000 1.007 449 T CB 2.243 71.078 68.868 -0.054 0.000 1.253 449 T HN 0.119 8.044 8.240 -0.525 0.000 0.511 450 S N 1.369 117.038 115.700 -0.051 0.000 2.603 450 S HA 0.418 nan 4.470 nan 0.000 0.232 450 S C 0.206 174.814 174.600 0.014 0.000 1.016 450 S CA -0.202 57.986 58.200 -0.020 0.000 0.976 450 S CB 0.793 63.976 63.200 -0.028 0.000 0.921 450 S HN 0.355 8.638 8.310 -0.044 0.000 0.516 451 G N 2.376 111.196 108.800 0.033 0.000 2.773 451 G HA2 0.190 nan 3.960 nan 0.000 0.186 451 G HA3 0.190 nan 3.960 nan 0.000 0.186 451 G C -2.062 172.852 174.900 0.023 0.000 1.411 451 G CA -0.327 44.790 45.100 0.029 0.000 1.054 451 G HN -0.184 8.069 8.290 0.039 0.060 0.579 452 T N -3.933 110.619 114.554 -0.004 0.000 2.950 452 T HA 0.566 nan 4.350 nan 0.000 0.288 452 T C -0.771 173.911 174.700 -0.031 0.000 1.035 452 T CA -0.776 61.241 62.100 -0.138 0.000 1.028 452 T CB 1.568 70.361 68.868 -0.124 0.000 1.109 452 T HN -0.155 8.096 8.240 0.017 0.000 0.514 453 Y N -2.384 117.963 120.300 0.079 0.000 2.900 453 Y HA 0.509 nan 4.550 nan 0.000 0.318 453 Y C -1.196 174.786 175.900 0.138 0.000 1.457 453 Y CA -0.948 57.219 58.100 0.111 0.000 1.082 453 Y CB 0.150 38.691 38.460 0.135 0.000 1.419 453 Y HN -0.024 7.807 8.280 -0.748 0.000 0.459 454 G N -0.350 108.732 108.800 0.469 0.000 3.392 454 G HA2 0.177 nan 3.960 nan 0.000 0.185 454 G HA3 0.177 nan 3.960 nan 0.000 0.185 454 G C -1.478 173.676 174.900 0.423 0.000 1.206 454 G CA -0.128 45.182 45.100 0.351 0.000 0.776 454 G HN 0.143 8.771 8.290 0.563 0.000 0.697 455 T N -3.347 111.411 114.554 0.339 0.000 2.816 455 T HA 0.619 nan 4.350 nan 0.000 0.299 455 T C -1.593 173.228 174.700 0.201 0.000 1.230 455 T CA -0.400 61.877 62.100 0.297 0.000 1.007 455 T CB 2.775 71.755 68.868 0.187 0.000 1.289 455 T HN 0.142 8.555 8.240 0.289 0.000 0.508 456 G N 0.962 109.781 108.800 0.032 0.000 2.344 456 G HA2 -0.064 nan 3.960 nan 0.000 0.282 456 G HA3 -0.064 nan 3.960 nan 0.000 0.282 456 G C -3.284 171.295 174.900 -0.534 0.000 1.281 456 G CA 0.619 45.473 45.100 -0.409 0.000 0.877 456 G HN 0.032 8.389 8.290 0.112 0.000 0.494 457 S N -0.252 114.891 115.700 -0.928 0.000 2.562 457 S HA 0.333 nan 4.470 nan 0.000 0.274 457 S C -1.814 172.472 174.600 -0.523 0.000 1.160 457 S CA -0.098 57.854 58.200 -0.413 0.000 0.933 457 S CB 1.750 64.849 63.200 -0.169 0.000 1.100 457 S HN -0.107 7.433 8.310 -1.283 0.000 0.468 458 W N 6.265 127.658 121.300 0.155 0.000 2.433 458 W HA 0.338 nan 4.660 nan 0.000 0.288 458 W C -2.524 174.074 176.519 0.131 0.000 0.986 458 W CA -1.456 55.982 57.345 0.156 0.000 1.680 458 W CB 1.678 31.275 29.460 0.228 0.000 1.615 458 W HN 0.339 8.798 8.180 0.465 0.000 0.416 459 P HA 0.381 nan 4.420 nan 0.000 0.301 459 P C 0.046 177.442 177.300 0.159 0.000 1.309 459 P CA -1.344 61.861 63.100 0.175 0.000 0.782 459 P CB 2.323 34.092 31.700 0.114 0.000 1.282 460 D N 1.099 121.580 120.400 0.135 0.000 2.177 460 D HA -0.399 nan 4.640 nan 0.000 0.189 460 D C 0.698 177.062 176.300 0.107 0.000 1.002 460 D CA 2.767 56.841 54.000 0.122 0.000 0.845 460 D CB 0.264 41.135 40.800 0.118 0.000 0.960 460 D HN 0.493 8.941 8.370 0.130 0.000 0.447 461 G N -3.775 105.077 108.800 0.086 0.000 2.159 461 G HA2 -0.373 nan 3.960 nan 0.000 0.227 461 G HA3 -0.373 nan 3.960 nan 0.000 0.227 461 G C -1.147 173.785 174.900 0.054 0.000 0.986 461 G CA -0.178 44.962 45.100 0.066 0.000 0.651 461 G HN -0.027 8.311 8.290 0.081 0.000 0.523 462 A N 0.027 122.885 122.820 0.063 0.000 2.310 462 A HA 0.202 nan 4.320 nan 0.000 0.299 462 A C -1.165 176.406 177.584 -0.022 0.000 1.147 462 A CA -0.923 51.150 52.037 0.059 0.000 0.818 462 A CB 1.059 20.131 19.000 0.120 0.000 1.096 462 A HN -0.141 8.299 8.150 0.076 -0.244 0.495 463 N N 3.411 122.027 118.700 -0.140 0.000 2.415 463 N HA 0.046 nan 4.740 nan 0.000 0.246 463 N C 1.086 176.478 175.510 -0.197 0.000 1.078 463 N CA -1.444 51.380 53.050 -0.377 0.000 0.942 463 N CB 0.092 37.868 38.487 -1.185 0.000 1.140 463 N HN 0.394 8.715 8.380 -0.098 0.000 0.501 464 I N 6.677 127.192 120.570 -0.091 0.000 2.399 464 I HA -0.494 nan 4.170 nan 0.000 0.254 464 I C 0.409 176.533 176.117 0.011 0.000 1.146 464 I CA 1.598 62.895 61.300 -0.006 0.000 1.412 464 I CB -0.198 37.773 38.000 -0.047 0.000 1.076 464 I HN 0.416 8.565 8.210 -0.101 0.000 0.432 465 N N -1.830 116.833 118.700 -0.061 0.000 2.354 465 N HA -0.228 nan 4.740 nan 0.000 0.179 465 N C 0.300 175.961 175.510 0.253 0.000 1.021 465 N CA 1.425 54.502 53.050 0.046 0.000 0.887 465 N CB 0.460 38.953 38.487 0.011 0.000 0.974 465 N HN -0.723 7.756 8.380 -0.179 -0.207 0.437 466 F N -0.187 119.810 119.950 0.079 0.000 2.429 466 F HA -0.051 nan 4.527 nan 0.000 0.348 466 F C 0.836 176.701 175.800 0.107 0.000 1.109 466 F CA -0.886 57.162 58.000 0.080 0.000 1.232 466 F CB -0.158 38.884 39.000 0.070 0.000 1.157 466 F HN -0.295 7.830 8.300 -0.023 0.162 0.564 467 M N 1.607 121.377 119.600 0.283 0.000 7.069 467 M HA -0.315 nan 4.480 nan 0.000 0.149 467 M C -1.256 175.183 176.300 0.232 0.000 0.514 467 M CA 0.359 55.777 55.300 0.197 0.000 1.266 467 M CB -1.720 30.949 32.600 0.114 0.000 0.431 467 M HN 0.106 8.542 8.290 0.244 0.000 0.181 468 P HA -0.314 nan 4.420 nan 0.000 0.023 468 P C -0.983 176.580 177.300 0.438 0.000 0.780 468 P CA 0.833 64.084 63.100 0.253 0.000 1.034 468 P CB -1.510 30.293 31.700 0.172 0.000 1.898 469 I N 0.000 120.763 120.570 0.321 0.000 2.984 469 I HA 0.000 nan 4.170 nan 0.000 0.288 469 I CA 0.000 61.497 61.300 0.329 0.000 1.566 469 I CB 0.000 38.299 38.000 0.498 0.000 1.214 469 I HN 0.000 8.345 8.210 0.225 0.000 0.494