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 1inx_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 0.000 176.013 176.094 -0.134 0.000 1.182 82 V CA 0.000 62.252 62.300 -0.081 0.000 1.235 82 V CB 0.000 31.786 31.823 -0.062 0.000 1.184 83 E N 2.147 122.273 120.200 -0.122 0.000 2.281 83 E HA 0.142 nan 4.350 nan 0.000 0.257 83 E C -1.754 174.780 176.600 -0.111 0.000 0.971 83 E CA -0.959 55.349 56.400 -0.153 0.000 0.839 83 E CB 2.273 31.928 29.700 -0.074 0.000 1.238 83 E HN -0.096 8.211 8.360 -0.088 0.000 0.412 84 Y N -1.598 118.683 120.300 -0.032 0.000 2.336 84 Y HA -0.073 nan 4.550 nan 0.000 0.331 84 Y C 0.092 175.945 175.900 -0.078 0.000 1.211 84 Y CA -0.031 58.047 58.100 -0.036 0.000 1.346 84 Y CB 0.955 39.412 38.460 -0.005 0.000 1.271 84 Y HN 0.032 8.321 8.280 0.015 0.000 0.538 85 R N 1.231 121.776 120.500 0.076 0.000 2.491 85 R HA -0.009 nan 4.340 nan 0.000 0.283 85 R C 0.285 176.536 176.300 -0.082 0.000 1.072 85 R CA 0.751 56.743 56.100 -0.181 0.000 1.048 85 R CB 0.506 30.570 30.300 -0.394 0.000 0.983 85 R HN 0.410 8.669 8.270 0.156 0.104 0.450 86 N N 2.049 120.674 118.700 -0.124 0.000 2.159 86 N HA -0.016 nan 4.740 nan 0.000 0.217 86 N C -0.728 174.902 175.510 0.201 0.000 1.223 86 N CA -0.712 52.383 53.050 0.075 0.000 0.896 86 N CB -0.210 38.282 38.487 0.009 0.000 1.064 86 N HN 0.361 8.601 8.380 -0.232 0.000 0.518 87 W N -4.182 117.128 121.300 0.015 0.000 6.105 87 W HA -0.395 nan 4.660 nan 0.000 0.377 87 W C -0.201 176.293 176.519 -0.042 0.000 1.366 87 W CA 0.129 57.487 57.345 0.021 0.000 1.011 87 W CB -2.663 26.853 29.460 0.093 0.000 2.481 87 W HN 0.091 8.049 8.180 -0.369 0.000 1.597 88 S N -0.252 115.392 115.700 -0.094 0.000 3.729 88 S HA 0.166 nan 4.470 nan 0.000 0.235 88 S C -0.758 173.770 174.600 -0.118 0.000 1.367 88 S CA -0.067 57.934 58.200 -0.331 0.000 0.907 88 S CB -0.400 62.263 63.200 -0.895 0.000 1.471 88 S HN -0.376 8.094 8.310 -0.159 -0.255 0.476 89 K N 3.243 123.654 120.400 0.019 0.000 2.527 89 K HA 0.366 nan 4.320 nan 0.000 0.260 89 K C -2.478 174.160 176.600 0.062 0.000 0.937 89 K CA -2.680 53.623 56.287 0.026 0.000 0.826 89 K CB 2.381 34.900 32.500 0.032 0.000 1.359 89 K HN -0.667 7.605 8.250 0.097 0.036 0.434 90 P HA -0.050 nan 4.420 nan 0.000 0.270 90 P C -1.391 175.933 177.300 0.040 0.000 1.223 90 P CA -0.376 62.755 63.100 0.052 0.000 0.785 90 P CB 0.815 32.539 31.700 0.040 0.000 0.923 91 Q N 0.889 120.709 119.800 0.034 0.000 2.332 91 Q HA -0.038 nan 4.340 nan 0.000 0.263 91 Q C -0.420 175.574 176.000 -0.010 0.000 0.979 91 Q CA -0.355 55.444 55.803 -0.007 0.000 0.885 91 Q CB 0.996 29.727 28.738 -0.011 0.000 1.218 91 Q HN 0.162 8.460 8.270 0.047 0.000 0.405 92 c N 7.018 125.590 118.600 -0.047 0.000 2.703 92 c HA -0.089 nan 4.570 nan 0.000 0.411 92 c C -0.679 173.398 174.090 -0.022 0.000 1.290 92 c CA 1.015 57.318 56.329 -0.043 0.000 2.054 92 c CB 0.187 42.648 42.510 -0.083 0.000 2.732 92 c HN 0.236 8.419 8.230 -0.079 0.000 0.650 93 Q N 1.404 121.205 119.800 0.001 0.000 2.286 93 Q HA 0.072 nan 4.340 nan 0.000 0.257 93 Q C -0.988 175.007 176.000 -0.008 0.000 0.941 93 Q CA -0.463 55.363 55.803 0.039 0.000 0.912 93 Q CB 0.951 29.722 28.738 0.054 0.000 1.192 93 Q HN 0.243 8.510 8.270 -0.004 0.000 0.410 94 I N -1.337 119.226 120.570 -0.011 0.000 2.740 94 I HA 0.462 nan 4.170 nan 0.000 0.303 94 I C -0.761 175.316 176.117 -0.066 0.000 1.044 94 I CA -1.481 59.714 61.300 -0.174 0.000 1.064 94 I CB 3.127 40.824 38.000 -0.506 0.000 1.249 94 I HN -0.100 8.166 8.210 0.093 0.000 0.433 95 T N 3.126 117.632 114.554 -0.079 0.000 3.037 95 T HA 0.368 nan 4.350 nan 0.000 0.252 95 T C -0.217 174.577 174.700 0.157 0.000 1.073 95 T CA 1.429 63.618 62.100 0.149 0.000 1.091 95 T CB 1.464 70.457 68.868 0.208 0.000 0.935 95 T HN 1.023 9.065 8.240 -0.134 0.117 0.488 96 G N -0.382 108.152 108.800 -0.443 0.000 2.398 96 G HA2 0.146 nan 3.960 nan 0.000 0.251 96 G HA3 0.146 nan 3.960 nan 0.000 0.251 96 G C -3.364 170.779 174.900 -1.262 0.000 1.277 96 G CA 0.817 45.430 45.100 -0.811 0.000 0.927 96 G HN -0.794 7.078 8.290 -0.633 0.038 0.477 97 F N -0.779 118.939 119.950 -0.387 0.000 2.577 97 F HA 0.772 nan 4.527 nan 0.000 0.318 97 F C -1.007 174.712 175.800 -0.136 0.000 1.065 97 F CA -2.176 55.724 58.000 -0.166 0.000 0.929 97 F CB 3.657 42.721 39.000 0.106 0.000 1.237 97 F HN 0.000 8.375 8.300 -0.476 -0.360 0.468 98 A N 0.526 123.383 122.820 0.061 0.000 2.355 98 A HA 0.644 nan 4.320 nan 0.000 0.324 98 A C -3.210 174.123 177.584 -0.419 0.000 1.117 98 A CA -3.252 48.751 52.037 -0.056 0.000 0.785 98 A CB 1.083 20.047 19.000 -0.059 0.000 1.254 98 A HN 0.898 8.958 8.150 0.024 0.104 0.453 99 P HA 0.034 nan 4.420 nan 0.000 0.262 99 P C -1.736 175.161 177.300 -0.672 0.000 1.182 99 P CA 1.105 63.324 63.100 -1.468 0.000 0.761 99 P CB 0.243 31.341 31.700 -1.004 0.000 0.795 100 F N 5.364 124.808 119.950 -0.844 0.000 2.496 100 F HA 0.285 nan 4.527 nan 0.000 0.274 100 F C -0.529 175.090 175.800 -0.302 0.000 0.924 100 F CA -0.512 57.233 58.000 -0.424 0.000 1.147 100 F CB 2.511 41.335 39.000 -0.293 0.000 0.969 100 F HN 0.477 8.227 8.300 -0.918 0.000 0.749 101 S N -3.111 112.406 115.700 -0.305 0.000 2.588 101 S HA 0.192 nan 4.470 nan 0.000 0.269 101 S C -2.705 171.791 174.600 -0.174 0.000 1.157 101 S CA 0.179 58.191 58.200 -0.313 0.000 0.824 101 S CB 1.474 64.453 63.200 -0.369 0.000 1.126 101 S HN -0.416 7.739 8.310 -0.258 0.000 0.464 102 K N 1.829 122.147 120.400 -0.136 0.000 2.569 102 K HA 0.240 nan 4.320 nan 0.000 0.259 102 K C -1.942 174.618 176.600 -0.066 0.000 0.932 102 K CA -0.168 56.090 56.287 -0.048 0.000 0.833 102 K CB 1.993 34.494 32.500 0.001 0.000 1.340 102 K HN -0.107 8.039 8.250 -0.173 0.000 0.429 103 D N 3.843 124.213 120.400 -0.050 0.000 2.417 103 D HA 0.047 nan 4.640 nan 0.000 0.207 103 D C 0.619 176.894 176.300 -0.042 0.000 1.075 103 D CA -0.265 53.682 54.000 -0.087 0.000 0.851 103 D CB 0.238 40.936 40.800 -0.170 0.000 0.976 103 D HN 0.066 8.427 8.370 -0.014 0.000 0.505 104 N N -1.783 116.923 118.700 0.010 0.000 2.708 104 N HA -0.454 nan 4.740 nan 0.000 0.249 104 N C 0.617 176.144 175.510 0.029 0.000 1.097 104 N CA 0.952 54.024 53.050 0.036 0.000 0.710 104 N CB -1.254 37.252 38.487 0.032 0.000 1.032 104 N HN 0.230 8.628 8.380 0.029 0.000 0.551 105 S N -0.585 115.130 115.700 0.024 0.000 2.370 105 S HA -0.346 nan 4.470 nan 0.000 0.226 105 S C 1.386 176.005 174.600 0.032 0.000 1.033 105 S CA 3.325 61.542 58.200 0.029 0.000 1.011 105 S CB 0.102 63.333 63.200 0.052 0.000 0.852 105 S HN -0.479 8.028 8.310 0.022 -0.183 0.457 106 I N 0.932 121.532 120.570 0.051 0.000 2.163 106 I HA -0.374 nan 4.170 nan 0.000 0.240 106 I C 1.776 177.927 176.117 0.057 0.000 1.081 106 I CA 2.041 63.366 61.300 0.042 0.000 1.353 106 I CB -0.960 37.106 38.000 0.110 0.000 1.054 106 I HN -0.154 8.098 8.210 0.070 0.000 0.407 107 R N -1.277 119.271 120.500 0.079 0.000 2.103 107 R HA -0.301 nan 4.340 nan 0.000 0.242 107 R C 3.232 179.571 176.300 0.065 0.000 1.142 107 R CA 2.997 59.151 56.100 0.090 0.000 0.960 107 R CB -0.456 29.896 30.300 0.087 0.000 0.858 107 R HN -0.156 8.164 8.270 0.082 0.000 0.439 108 L N -1.250 119.996 121.223 0.039 0.000 2.201 108 L HA -0.218 nan 4.340 nan 0.000 0.212 108 L C 2.014 178.888 176.870 0.007 0.000 1.105 108 L CA 2.315 57.167 54.840 0.020 0.000 0.775 108 L CB -0.411 41.654 42.059 0.010 0.000 0.913 108 L HN -0.083 8.167 8.230 0.037 0.003 0.440 109 S N -0.320 115.374 115.700 -0.009 0.000 2.469 109 S HA -0.246 nan 4.470 nan 0.000 0.238 109 S C 0.556 175.132 174.600 -0.041 0.000 0.998 109 S CA 3.143 61.309 58.200 -0.056 0.000 0.957 109 S CB -0.540 62.571 63.200 -0.150 0.000 0.764 109 S HN -0.027 8.137 8.310 -0.002 0.145 0.514 110 A N -1.248 121.580 122.820 0.013 0.000 2.251 110 A HA 0.153 nan 4.320 nan 0.000 0.209 110 A C 0.039 177.637 177.584 0.023 0.000 1.187 110 A CA 0.390 52.453 52.037 0.045 0.000 0.823 110 A CB -0.058 19.010 19.000 0.112 0.000 0.846 110 A HN -0.804 7.306 8.150 0.030 0.058 0.486 111 G N -2.034 106.770 108.800 0.007 0.000 4.677 111 G HA2 0.104 nan 3.960 nan 0.000 0.225 111 G HA3 0.104 nan 3.960 nan 0.000 0.225 111 G C -1.725 173.169 174.900 -0.010 0.000 0.876 111 G CA 0.429 45.527 45.100 -0.003 0.000 0.652 111 G HN -0.378 7.740 8.290 0.005 0.175 0.481 112 G N -0.809 107.982 108.800 -0.015 0.000 2.328 112 G HA2 -0.143 nan 3.960 nan 0.000 0.299 112 G HA3 -0.143 nan 3.960 nan 0.000 0.299 112 G C -3.009 171.876 174.900 -0.024 0.000 1.435 112 G CA 0.214 45.304 45.100 -0.015 0.000 0.865 112 G HN -0.561 7.717 8.290 -0.019 0.000 0.601 113 D N 1.275 121.664 120.400 -0.018 0.000 2.479 113 D HA 0.254 nan 4.640 nan 0.000 0.218 113 D C -1.410 174.881 176.300 -0.014 0.000 1.131 113 D CA -0.131 53.842 54.000 -0.046 0.000 0.916 113 D CB -0.028 40.736 40.800 -0.061 0.000 1.022 113 D HN 0.048 8.417 8.370 -0.003 0.000 0.515 114 I N 0.894 121.452 120.570 -0.020 0.000 2.530 114 I HA 0.401 nan 4.170 nan 0.000 0.297 114 I C -0.763 175.385 176.117 0.051 0.000 1.011 114 I CA -2.436 58.907 61.300 0.073 0.000 1.107 114 I CB 2.159 40.201 38.000 0.070 0.000 1.285 114 I HN -0.556 7.620 8.210 -0.057 0.000 0.436 115 W N 5.548 126.858 121.300 0.017 0.000 2.148 115 W HA -0.103 nan 4.660 nan 0.000 0.347 115 W C -0.351 176.147 176.519 -0.034 0.000 1.288 115 W CA 1.515 58.847 57.345 -0.020 0.000 1.252 115 W CB 0.346 29.782 29.460 -0.039 0.000 1.156 115 W HN 0.460 8.961 8.180 0.535 0.000 0.580 116 V N 2.728 122.786 119.914 0.240 0.000 2.407 116 V HA 0.353 nan 4.120 nan 0.000 0.278 116 V C -0.929 175.273 176.094 0.179 0.000 1.037 116 V CA -0.500 61.880 62.300 0.133 0.000 0.900 116 V CB -0.210 31.670 31.823 0.096 0.000 0.983 116 V HN 0.041 8.409 8.190 0.296 0.000 0.459 117 T N 4.260 118.889 114.554 0.125 0.000 2.654 117 T HA 0.744 nan 4.350 nan 0.000 0.289 117 T C -1.404 173.337 174.700 0.068 0.000 1.062 117 T CA -1.470 60.667 62.100 0.062 0.000 1.041 117 T CB 3.203 72.069 68.868 -0.004 0.000 1.417 117 T HN 0.236 8.551 8.240 0.124 0.000 0.510 118 R N -2.435 118.084 120.500 0.031 0.000 2.829 118 R HA 0.125 nan 4.340 nan 0.000 0.283 118 R C -1.319 174.985 176.300 0.008 0.000 1.013 118 R CA -0.360 55.750 56.100 0.017 0.000 0.848 118 R CB 4.016 34.313 30.300 -0.005 0.000 1.291 118 R HN -0.098 8.169 8.270 -0.005 0.000 0.496 119 E N -2.612 117.571 120.200 -0.028 0.000 2.230 119 E HA -0.295 nan 4.350 nan 0.000 0.206 119 E C -2.582 174.138 176.600 0.200 0.000 1.309 119 E CA 0.823 57.270 56.400 0.078 0.000 0.697 119 E CB -2.139 27.623 29.700 0.104 0.000 1.146 119 E HN -0.074 8.461 8.360 -0.122 -0.248 0.363 120 P HA 0.264 nan 4.420 nan 0.000 0.279 120 P C -2.253 175.025 177.300 -0.036 0.000 1.276 120 P CA -0.794 62.347 63.100 0.068 0.000 0.801 120 P CB 1.165 32.903 31.700 0.063 0.000 1.127 121 Y N -8.922 111.134 120.300 -0.406 0.000 2.741 121 Y HA 0.203 nan 4.550 nan 0.000 0.339 121 Y C -2.821 172.865 175.900 -0.357 0.000 1.226 121 Y CA -1.256 56.337 58.100 -0.845 0.000 1.072 121 Y CB 1.148 39.407 38.460 -0.335 0.000 1.331 121 Y HN -0.148 7.946 8.280 -0.310 0.000 0.453 122 V N -1.609 118.218 119.914 -0.146 0.000 2.962 122 V HA 0.760 nan 4.120 nan 0.000 0.313 122 V C -2.611 173.470 176.094 -0.021 0.000 1.099 122 V CA -2.579 59.630 62.300 -0.151 0.000 0.971 122 V CB 3.251 34.750 31.823 -0.540 0.000 1.028 122 V HN 0.197 8.330 8.190 -0.096 0.000 0.430 123 S N 2.871 118.726 115.700 0.259 0.000 2.537 123 S HA 0.583 nan 4.470 nan 0.000 0.270 123 S C -1.738 173.243 174.600 0.635 0.000 1.142 123 S CA -0.798 57.687 58.200 0.475 0.000 0.870 123 S CB 2.804 66.406 63.200 0.670 0.000 1.112 123 S HN 0.085 8.576 8.310 0.301 0.000 0.466 124 c N 2.455 121.385 118.600 0.550 0.000 2.563 124 c HA 0.888 nan 4.570 nan 0.000 0.314 124 c C -0.800 173.445 174.090 0.260 0.000 1.199 124 c CA -2.139 54.490 56.329 0.501 0.000 1.564 124 c CB 3.365 46.104 42.510 0.381 0.000 2.173 124 c HN 0.831 9.361 8.230 0.500 0.000 0.485 125 D N 2.533 123.021 120.400 0.147 0.000 2.478 125 D HA 0.278 nan 4.640 nan 0.000 0.269 125 D C -0.938 175.261 176.300 -0.169 0.000 1.232 125 D CA -2.184 51.565 54.000 -0.419 0.000 1.059 125 D CB -0.873 39.451 40.800 -0.793 0.000 1.104 125 D HN -0.012 8.623 8.370 0.441 0.000 0.566 126 P HA -0.157 nan 4.420 nan 0.000 0.228 126 P C -0.959 176.312 177.300 -0.047 0.000 1.151 126 P CA 1.160 64.190 63.100 -0.116 0.000 0.770 126 P CB 0.058 31.687 31.700 -0.117 0.000 0.786 127 V N -4.662 115.240 119.914 -0.019 0.000 3.307 127 V HA 0.163 nan 4.120 nan 0.000 0.244 127 V C -1.200 174.917 176.094 0.038 0.000 1.196 127 V CA 0.348 62.657 62.300 0.015 0.000 1.132 127 V CB 1.725 33.557 31.823 0.016 0.000 0.875 127 V HN 0.167 8.550 8.190 -0.047 -0.221 0.468 128 K N -3.523 116.925 120.400 0.080 0.000 2.533 128 K HA 0.278 nan 4.320 nan 0.000 0.284 128 K C -2.455 174.184 176.600 0.064 0.000 1.025 128 K CA -1.130 55.166 56.287 0.015 0.000 0.900 128 K CB 3.569 35.994 32.500 -0.125 0.000 1.519 128 K HN 0.101 8.783 8.250 0.139 -0.349 0.432 129 c N -0.545 118.010 118.600 -0.076 0.000 2.397 129 c HA 0.950 nan 4.570 nan 0.000 0.343 129 c C -0.348 173.530 174.090 -0.353 0.000 1.188 129 c CA -0.837 55.502 56.329 0.016 0.000 1.992 129 c CB 1.431 44.008 42.510 0.111 0.000 2.358 129 c HN 0.406 8.549 8.230 -0.145 0.000 0.518 130 Y N -0.335 119.944 120.300 -0.036 0.000 2.545 130 Y HA 0.483 nan 4.550 nan 0.000 0.348 130 Y C -1.970 173.715 175.900 -0.359 0.000 1.002 130 Y CA -1.624 56.307 58.100 -0.283 0.000 1.039 130 Y CB 3.757 41.895 38.460 -0.536 0.000 1.271 130 Y HN 1.030 9.539 8.280 0.381 0.000 0.467 131 Q N -1.308 118.306 119.800 -0.309 0.000 2.282 131 Q HA 0.781 nan 4.340 nan 0.000 0.260 131 Q C -1.215 174.603 176.000 -0.302 0.000 0.964 131 Q CA -1.765 53.894 55.803 -0.239 0.000 0.880 131 Q CB 2.297 30.894 28.738 -0.236 0.000 1.286 131 Q HN 0.822 8.793 8.270 -0.322 0.106 0.445 132 F N 2.463 122.231 119.950 -0.304 0.000 2.594 132 F HA 0.855 nan 4.527 nan 0.000 0.335 132 F C -1.176 174.365 175.800 -0.432 0.000 1.058 132 F CA -1.993 55.703 58.000 -0.506 0.000 0.981 132 F CB 4.216 42.514 39.000 -1.170 0.000 1.289 132 F HN 0.817 9.088 8.300 -0.048 0.000 0.490 133 A N -2.223 120.404 122.820 -0.322 0.000 2.569 133 A HA 0.407 nan 4.320 nan 0.000 0.292 133 A C -2.740 174.647 177.584 -0.329 0.000 1.032 133 A CA 0.326 52.191 52.037 -0.287 0.000 0.669 133 A CB 2.959 21.761 19.000 -0.330 0.000 1.290 133 A HN 0.160 8.091 8.150 -0.365 0.000 0.422 134 L N 0.664 121.788 121.223 -0.165 0.000 2.261 134 L HA 0.624 nan 4.340 nan 0.000 0.289 134 L C 0.171 176.948 176.870 -0.155 0.000 1.059 134 L CA -1.729 53.033 54.840 -0.129 0.000 0.816 134 L CB -0.061 42.002 42.059 0.006 0.000 1.191 134 L HN -0.050 8.131 8.230 -0.080 0.000 0.431 135 G N 2.623 111.270 108.800 -0.255 0.000 2.616 135 G HA2 0.240 nan 3.960 nan 0.000 0.268 135 G HA3 0.240 nan 3.960 nan 0.000 0.268 135 G C -0.549 174.412 174.900 0.101 0.000 1.213 135 G CA -0.417 44.607 45.100 -0.127 0.000 0.926 135 G HN 0.783 8.862 8.290 -0.350 0.000 0.523 136 Q N 0.032 119.990 119.800 0.263 0.000 2.165 136 Q HA 0.063 nan 4.340 nan 0.000 0.245 136 Q C 0.222 176.382 176.000 0.268 0.000 0.841 136 Q CA -1.281 54.662 55.803 0.234 0.000 1.078 136 Q CB 0.281 29.135 28.738 0.192 0.000 1.169 136 Q HN -0.146 8.345 8.270 0.369 0.000 0.475 137 G N -0.709 108.341 108.800 0.417 0.000 2.305 137 G HA2 -0.496 nan 3.960 nan 0.000 0.287 137 G HA3 -0.496 nan 3.960 nan 0.000 0.287 137 G C -1.252 173.622 174.900 -0.043 0.000 1.036 137 G CA 0.770 46.045 45.100 0.292 0.000 0.887 137 G HN 0.203 8.746 8.290 0.539 0.071 0.505 138 T N -2.262 112.199 114.554 -0.155 0.000 2.827 138 T HA 0.236 nan 4.350 nan 0.000 0.328 138 T C -1.905 172.566 174.700 -0.382 0.000 1.598 138 T CA -0.843 61.078 62.100 -0.298 0.000 1.043 138 T CB 1.839 70.669 68.868 -0.064 0.000 1.447 138 T HN -0.486 7.766 8.240 0.047 0.016 0.491 139 T N 0.680 114.998 114.554 -0.393 0.000 2.862 139 T HA 0.678 nan 4.350 nan 0.000 0.276 139 T C -0.535 174.053 174.700 -0.188 0.000 0.974 139 T CA -1.513 60.391 62.100 -0.327 0.000 0.966 139 T CB 1.079 69.754 68.868 -0.322 0.000 1.072 139 T HN 0.052 8.236 8.240 -0.345 -0.151 0.538 140 L N -0.523 120.577 121.223 -0.205 0.000 2.044 140 L HA -0.072 nan 4.340 nan 0.000 0.205 140 L C 0.519 177.257 176.870 -0.221 0.000 1.075 140 L CA 2.902 57.556 54.840 -0.309 0.000 0.747 140 L CB 0.584 42.340 42.059 -0.505 0.000 0.903 140 L HN 0.237 8.352 8.230 -0.191 0.000 0.435 141 D N -1.615 118.696 120.400 -0.149 0.000 2.608 141 D HA -0.016 nan 4.640 nan 0.000 0.224 141 D C -1.535 174.737 176.300 -0.047 0.000 1.123 141 D CA 0.199 54.160 54.000 -0.066 0.000 1.030 141 D CB -1.401 39.370 40.800 -0.048 0.000 1.093 141 D HN -0.205 8.074 8.370 -0.152 0.000 0.497 142 N N 1.639 120.325 118.700 -0.024 0.000 2.452 142 N HA 0.059 nan 4.740 nan 0.000 0.277 142 N C -0.048 175.473 175.510 0.017 0.000 1.078 142 N CA -0.227 52.822 53.050 -0.001 0.000 0.947 142 N CB 2.111 40.594 38.487 -0.007 0.000 1.655 142 N HN -0.550 7.776 8.380 -0.011 0.048 0.490 143 K N 3.893 124.268 120.400 -0.042 0.000 2.281 143 K HA -0.368 nan 4.320 nan 0.000 0.203 143 K C 1.624 178.155 176.600 -0.115 0.000 1.046 143 K CA 3.178 59.403 56.287 -0.103 0.000 0.938 143 K CB -0.040 32.341 32.500 -0.199 0.000 0.737 143 K HN 0.679 8.898 8.250 -0.052 0.000 0.458 144 H N -2.048 117.017 119.070 -0.008 0.000 2.559 144 H HA -0.073 nan 4.556 nan 0.000 0.273 144 H C 1.137 176.495 175.328 0.050 0.000 1.000 144 H CA 1.740 57.789 56.048 0.003 0.000 1.195 144 H CB -0.669 29.070 29.762 -0.038 0.000 1.368 144 H HN 0.080 8.309 8.280 0.006 0.054 0.592 145 S N -1.574 114.225 115.700 0.165 0.000 2.522 145 S HA -0.219 nan 4.470 nan 0.000 0.227 145 S C 0.116 174.884 174.600 0.281 0.000 0.986 145 S CA 0.843 59.166 58.200 0.205 0.000 0.929 145 S CB 0.632 63.933 63.200 0.169 0.000 0.769 145 S HN 0.248 8.467 8.310 0.125 0.166 0.529 146 N N 2.625 121.455 118.700 0.217 0.000 2.412 146 N HA -0.262 nan 4.740 nan 0.000 0.258 146 N C -0.140 175.502 175.510 0.220 0.000 1.236 146 N CA 1.727 54.905 53.050 0.213 0.000 0.882 146 N CB 0.038 38.547 38.487 0.037 0.000 1.066 146 N HN -0.757 7.654 8.380 0.148 0.057 0.465 147 D N 2.434 122.994 120.400 0.266 0.000 2.870 147 D HA -0.357 nan 4.640 nan 0.000 0.228 147 D C -0.105 176.291 176.300 0.161 0.000 1.147 147 D CA 1.257 55.385 54.000 0.213 0.000 0.757 147 D CB -0.407 40.542 40.800 0.249 0.000 1.091 147 D HN 0.194 8.772 8.370 0.347 0.000 0.429 148 T N -5.780 108.880 114.554 0.176 0.000 3.434 148 T HA 0.028 nan 4.350 nan 0.000 0.249 148 T C 0.051 174.784 174.700 0.055 0.000 1.050 148 T CA 0.268 62.462 62.100 0.158 0.000 0.952 148 T CB -0.459 68.536 68.868 0.212 0.000 1.046 148 T HN -0.441 7.918 8.240 0.228 0.018 0.590 149 V N -2.207 117.640 119.914 -0.111 0.000 2.719 149 V HA 0.007 nan 4.120 nan 0.000 0.252 149 V C 0.731 176.688 176.094 -0.229 0.000 1.065 149 V CA 0.464 62.650 62.300 -0.190 0.000 1.086 149 V CB -0.957 30.692 31.823 -0.290 0.000 0.700 149 V HN -0.652 7.315 8.190 -0.150 0.133 0.467 150 H N 0.464 119.565 119.070 0.051 0.000 2.928 150 H HA -0.053 nan 4.556 nan 0.000 0.338 150 H C -0.421 174.907 175.328 0.001 0.000 1.047 150 H CA 0.512 56.569 56.048 0.015 0.000 1.435 150 H CB 0.459 30.230 29.762 0.014 0.000 1.428 150 H HN -0.771 7.170 8.280 -0.510 0.033 0.590 151 D N 1.621 122.057 120.400 0.059 0.000 2.249 151 D HA -0.008 nan 4.640 nan 0.000 0.205 151 D C -0.525 175.729 176.300 -0.077 0.000 0.962 151 D CA 2.156 56.149 54.000 -0.011 0.000 0.860 151 D CB 0.738 41.507 40.800 -0.052 0.000 0.955 151 D HN 0.215 8.625 8.370 0.067 0.000 0.505 152 R N -1.726 118.666 120.500 -0.179 0.000 2.412 152 R HA 0.297 nan 4.340 nan 0.000 0.304 152 R C -1.755 174.440 176.300 -0.175 0.000 1.066 152 R CA -0.749 55.120 56.100 -0.385 0.000 0.923 152 R CB 0.713 30.381 30.300 -1.053 0.000 1.156 152 R HN -0.197 7.998 8.270 -0.125 0.000 0.513 153 I N -1.013 119.562 120.570 0.008 0.000 2.828 153 I HA 0.682 nan 4.170 nan 0.000 0.302 153 I C -1.264 174.853 176.117 -0.000 0.000 1.101 153 I CA -4.378 56.920 61.300 -0.004 0.000 1.031 153 I CB 2.864 40.886 38.000 0.037 0.000 1.231 153 I HN -0.018 8.250 8.210 0.097 0.000 0.427 154 P HA -0.126 nan 4.420 nan 0.000 0.228 154 P C -0.705 176.434 177.300 -0.267 0.000 1.151 154 P CA 2.115 65.075 63.100 -0.233 0.000 0.770 154 P CB -0.261 31.257 31.700 -0.303 0.000 0.786 155 H N -4.818 114.308 119.070 0.094 0.000 2.539 155 H HA 0.120 nan 4.556 nan 0.000 0.269 155 H C -0.567 174.816 175.328 0.092 0.000 0.980 155 H CA -0.456 55.638 56.048 0.076 0.000 1.152 155 H CB -0.169 29.630 29.762 0.062 0.000 1.407 155 H HN -0.271 7.701 8.280 -0.376 0.083 0.564 156 R N 0.264 120.852 120.500 0.148 0.000 2.442 156 R HA 0.100 nan 4.340 nan 0.000 0.291 156 R C -0.458 175.860 176.300 0.029 0.000 1.069 156 R CA 0.102 56.271 56.100 0.115 0.000 1.022 156 R CB 0.432 30.828 30.300 0.161 0.000 0.976 156 R HN -0.702 7.581 8.270 0.119 0.058 0.443 157 T N -2.586 111.935 114.554 -0.055 0.000 2.896 157 T HA 0.518 nan 4.350 nan 0.000 0.297 157 T C -1.972 172.583 174.700 -0.242 0.000 1.108 157 T CA -2.268 59.745 62.100 -0.146 0.000 1.004 157 T CB 3.252 72.021 68.868 -0.166 0.000 1.159 157 T HN 0.061 8.256 8.240 -0.076 0.000 0.499 158 L N 2.323 123.398 121.223 -0.246 0.000 2.281 158 L HA 0.731 nan 4.340 nan 0.000 0.285 158 L C -1.796 174.833 176.870 -0.402 0.000 1.074 158 L CA -0.865 53.813 54.840 -0.270 0.000 0.817 158 L CB 1.025 42.971 42.059 -0.188 0.000 1.168 158 L HN 0.230 8.327 8.230 -0.221 0.000 0.434 159 L N 6.615 127.507 121.223 -0.551 0.000 2.343 159 L HA 0.685 nan 4.340 nan 0.000 0.275 159 L C -1.472 175.074 176.870 -0.539 0.000 1.056 159 L CA -1.077 53.334 54.840 -0.716 0.000 0.804 159 L CB 1.390 42.691 42.059 -1.263 0.000 1.203 159 L HN 1.021 8.817 8.230 -0.545 0.107 0.440 160 M N 1.738 121.067 119.600 -0.451 0.000 2.238 160 M HA 0.307 nan 4.480 nan 0.000 0.278 160 M C -2.650 173.473 176.300 -0.296 0.000 1.040 160 M CA -0.224 54.752 55.300 -0.540 0.000 0.969 160 M CB 2.844 35.028 32.600 -0.693 0.000 1.694 160 M HN -0.246 7.789 8.290 -0.425 0.000 0.472 161 N N 5.275 123.856 118.700 -0.198 0.000 2.455 161 N HA 0.389 nan 4.740 nan 0.000 0.278 161 N C -2.579 172.827 175.510 -0.173 0.000 1.291 161 N CA -0.895 52.077 53.050 -0.129 0.000 0.780 161 N CB 4.592 42.991 38.487 -0.146 0.000 1.520 161 N HN 0.268 8.483 8.380 -0.274 0.000 0.486 162 E N 1.107 121.186 120.200 -0.201 0.000 2.415 162 E HA -0.038 nan 4.350 nan 0.000 0.262 162 E C -0.593 175.785 176.600 -0.371 0.000 1.038 162 E CA 0.543 56.688 56.400 -0.425 0.000 0.921 162 E CB 0.895 30.376 29.700 -0.365 0.000 0.950 162 E HN 0.187 8.465 8.360 -0.137 0.000 0.438 163 L N 5.978 126.961 121.223 -0.400 0.000 2.559 163 L HA -0.260 nan 4.340 nan 0.000 0.274 163 L C 0.099 176.781 176.870 -0.312 0.000 1.205 163 L CA 2.027 56.674 54.840 -0.322 0.000 0.907 163 L CB 0.094 41.988 42.059 -0.274 0.000 1.153 163 L HN 0.292 8.114 8.230 -0.503 0.106 0.490 164 G N 4.695 113.315 108.800 -0.301 0.000 2.284 164 G HA2 -0.248 nan 3.960 nan 0.000 0.216 164 G HA3 -0.248 nan 3.960 nan 0.000 0.216 164 G C -1.049 173.705 174.900 -0.243 0.000 1.009 164 G CA -0.185 44.755 45.100 -0.266 0.000 0.625 164 G HN 0.068 8.168 8.290 -0.318 0.000 0.501 165 V N 2.326 122.086 119.914 -0.257 0.000 2.385 165 V HA 0.474 nan 4.120 nan 0.000 0.269 165 V C -2.213 173.713 176.094 -0.279 0.000 1.043 165 V CA -3.622 58.559 62.300 -0.199 0.000 0.906 165 V CB 0.385 32.139 31.823 -0.115 0.000 0.995 165 V HN -0.473 7.488 8.190 -0.283 0.059 0.467 166 P HA 0.007 nan 4.420 nan 0.000 0.269 166 P C -0.616 176.592 177.300 -0.152 0.000 1.217 166 P CA -0.683 62.256 63.100 -0.269 0.000 0.783 166 P CB 0.787 32.429 31.700 -0.097 0.000 0.898 167 F N -0.568 119.413 119.950 0.051 0.000 2.679 167 F HA 0.088 nan 4.527 nan 0.000 0.351 167 F C -0.334 175.596 175.800 0.216 0.000 1.279 167 F CA -0.969 57.046 58.000 0.025 0.000 1.227 167 F CB -1.739 37.224 39.000 -0.061 0.000 1.623 167 F HN 0.362 8.533 8.300 -0.215 0.000 0.666 168 H N -0.792 118.447 119.070 0.282 0.000 2.437 168 H HA 0.509 nan 4.556 nan 0.000 0.338 168 H C 0.893 176.402 175.328 0.302 0.000 1.495 168 H CA -1.812 54.367 56.048 0.218 0.000 1.453 168 H CB 1.251 31.062 29.762 0.083 0.000 1.707 168 H HN 0.078 8.399 8.280 0.151 0.050 0.655 169 L N -1.505 119.830 121.223 0.187 0.000 2.353 169 L HA -0.199 nan 4.340 nan 0.000 0.220 169 L C 1.209 178.132 176.870 0.088 0.000 1.133 169 L CA 1.772 56.686 54.840 0.123 0.000 0.798 169 L CB -0.541 41.548 42.059 0.050 0.000 0.922 169 L HN 0.670 9.051 8.230 0.251 0.000 0.445 170 G N -2.902 105.893 108.800 -0.009 0.000 2.985 170 G HA2 -0.050 nan 3.960 nan 0.000 0.209 170 G HA3 -0.050 nan 3.960 nan 0.000 0.209 170 G C -0.158 174.647 174.900 -0.158 0.000 1.165 170 G CA -0.185 44.908 45.100 -0.011 0.000 0.776 170 G HN -0.570 7.681 8.290 0.033 0.058 0.541 171 T N 2.739 117.118 114.554 -0.292 0.000 2.940 171 T HA -0.124 nan 4.350 nan 0.000 0.309 171 T C -1.102 173.494 174.700 -0.174 0.000 1.056 171 T CA 1.432 63.389 62.100 -0.238 0.000 1.137 171 T CB 0.279 69.003 68.868 -0.241 0.000 0.976 171 T HN -0.550 7.439 8.240 -0.318 0.060 0.547 172 R N 4.802 125.184 120.500 -0.197 0.000 2.265 172 R HA 0.146 nan 4.340 nan 0.000 0.314 172 R C -0.896 175.233 176.300 -0.286 0.000 1.053 172 R CA -0.605 55.378 56.100 -0.195 0.000 0.931 172 R CB 1.041 31.239 30.300 -0.169 0.000 1.024 172 R HN 0.262 8.416 8.270 -0.194 0.000 0.457 173 Q N 4.804 124.452 119.800 -0.254 0.000 2.361 173 Q HA 0.017 nan 4.340 nan 0.000 0.250 173 Q C 0.026 175.878 176.000 -0.246 0.000 1.023 173 Q CA 0.626 56.249 55.803 -0.300 0.000 0.915 173 Q CB -0.021 28.585 28.738 -0.219 0.000 1.238 173 Q HN 0.429 8.596 8.270 -0.173 0.000 0.451 174 V N 3.595 123.325 119.914 -0.307 0.000 2.626 174 V HA -0.188 nan 4.120 nan 0.000 0.252 174 V C -0.795 175.144 176.094 -0.259 0.000 1.067 174 V CA 1.826 63.931 62.300 -0.326 0.000 1.081 174 V CB -0.099 31.397 31.823 -0.545 0.000 0.686 174 V HN 0.755 8.733 8.190 -0.353 0.000 0.468 175 c N -6.331 112.133 118.600 -0.228 0.000 3.165 175 c HA 0.166 nan 4.570 nan 0.000 0.345 175 c C -1.912 172.083 174.090 -0.158 0.000 1.367 175 c CA -1.967 54.261 56.329 -0.169 0.000 1.205 175 c CB 1.130 43.538 42.510 -0.170 0.000 1.447 175 c HN -0.830 7.224 8.230 -0.243 0.031 0.451 176 I N 1.005 121.493 120.570 -0.136 0.000 2.352 176 I HA 0.287 nan 4.170 nan 0.000 0.290 176 I C -0.918 175.085 176.117 -0.189 0.000 1.036 176 I CA -0.031 61.190 61.300 -0.131 0.000 1.336 176 I CB 0.082 38.015 38.000 -0.111 0.000 1.407 176 I HN 0.395 8.528 8.210 -0.127 0.000 0.497 177 A N 7.700 130.419 122.820 -0.167 0.000 2.513 177 A HA 0.474 nan 4.320 nan 0.000 0.296 177 A C -1.529 176.024 177.584 -0.052 0.000 1.052 177 A CA -0.079 51.831 52.037 -0.212 0.000 0.714 177 A CB 2.192 21.089 19.000 -0.171 0.000 1.279 177 A HN 0.182 8.158 8.150 -0.110 0.108 0.397 178 W N -1.694 119.577 121.300 -0.049 0.000 3.127 178 W HA 0.326 nan 4.660 nan 0.000 0.344 178 W C -1.078 175.433 176.519 -0.014 0.000 1.151 178 W CA -2.400 54.927 57.345 -0.029 0.000 1.765 178 W CB 1.581 31.025 29.460 -0.025 0.000 1.085 178 W HN 1.025 8.782 8.180 -0.532 0.103 0.596 179 S N -0.110 115.738 115.700 0.246 0.000 2.543 179 S HA 0.350 nan 4.470 nan 0.000 0.273 179 S C -2.385 172.223 174.600 0.015 0.000 1.152 179 S CA 0.008 58.326 58.200 0.197 0.000 0.910 179 S CB 1.336 64.725 63.200 0.315 0.000 1.105 179 S HN -0.831 7.413 8.310 -0.018 0.056 0.465 180 S N 4.345 120.065 115.700 0.033 0.000 2.752 180 S HA 0.878 nan 4.470 nan 0.000 0.284 180 S C -2.692 171.868 174.600 -0.068 0.000 1.189 180 S CA -0.566 57.626 58.200 -0.013 0.000 0.835 180 S CB 3.251 66.482 63.200 0.051 0.000 1.192 180 S HN 0.722 9.406 8.310 0.075 -0.329 0.506 181 S N -1.597 114.066 115.700 -0.062 0.000 2.570 181 S HA 0.292 nan 4.470 nan 0.000 0.286 181 S C -2.503 172.094 174.600 -0.004 0.000 1.143 181 S CA 0.738 58.846 58.200 -0.153 0.000 0.921 181 S CB 1.590 64.712 63.200 -0.130 0.000 1.108 181 S HN -0.028 8.275 8.310 -0.010 0.000 0.456 182 S N 5.236 120.939 115.700 0.006 0.000 2.569 182 S HA 0.955 nan 4.470 nan 0.000 0.280 182 S C -1.514 173.205 174.600 0.200 0.000 1.111 182 S CA -1.052 57.217 58.200 0.115 0.000 0.887 182 S CB 3.607 66.829 63.200 0.036 0.000 1.095 182 S HN 0.042 8.291 8.310 -0.102 0.000 0.476 183 c N -0.726 118.042 118.600 0.280 0.000 3.307 183 c HA 0.575 nan 4.570 nan 0.000 0.333 183 c C -2.476 171.623 174.090 0.014 0.000 1.291 183 c CA -1.634 54.819 56.329 0.207 0.000 1.273 183 c CB 3.053 45.652 42.510 0.148 0.000 1.580 183 c HN 0.667 9.050 8.230 0.254 0.000 0.481 184 H N 1.361 120.222 119.070 -0.350 0.000 2.466 184 H HA 0.349 nan 4.556 nan 0.000 0.338 184 H C 0.130 175.366 175.328 -0.153 0.000 1.091 184 H CA -1.249 54.456 56.048 -0.572 0.000 1.207 184 H CB 3.007 32.071 29.762 -1.165 0.000 1.466 184 H HN 0.499 8.769 8.280 -0.017 0.000 0.493 185 D N 6.000 126.285 120.400 -0.193 0.000 2.340 185 D HA -0.003 nan 4.640 nan 0.000 0.220 185 D C 0.959 177.328 176.300 0.115 0.000 1.039 185 D CA -1.244 52.787 54.000 0.052 0.000 0.866 185 D CB 0.139 41.018 40.800 0.132 0.000 0.913 185 D HN -0.047 8.072 8.370 -0.418 0.000 0.523 186 G N -0.905 107.942 108.800 0.078 0.000 2.238 186 G HA2 -0.368 nan 3.960 nan 0.000 0.217 186 G HA3 -0.368 nan 3.960 nan 0.000 0.217 186 G C 0.324 175.263 174.900 0.065 0.000 0.996 186 G CA 0.651 45.838 45.100 0.145 0.000 0.632 186 G HN -0.306 7.894 8.290 0.004 0.092 0.503 187 K N 0.226 120.549 120.400 -0.129 0.000 2.424 187 K HA 0.217 nan 4.320 nan 0.000 0.198 187 K C -1.182 175.240 176.600 -0.297 0.000 1.190 187 K CA 0.224 56.430 56.287 -0.134 0.000 0.935 187 K CB 3.382 35.823 32.500 -0.098 0.000 1.087 187 K HN 0.156 8.531 8.250 -0.167 -0.225 0.524 188 A N -2.042 120.352 122.820 -0.710 0.000 2.566 188 A HA 0.334 nan 4.320 nan 0.000 0.290 188 A C -2.523 174.537 177.584 -0.874 0.000 1.071 188 A CA -0.325 51.281 52.037 -0.718 0.000 0.658 188 A CB 2.271 20.842 19.000 -0.715 0.000 1.285 188 A HN -0.303 7.655 8.150 -0.806 -0.292 0.427 189 W N -2.117 118.922 121.300 -0.435 0.000 2.251 189 W HA 0.463 nan 4.660 nan 0.000 0.329 189 W C -1.094 175.204 176.519 -0.368 0.000 1.234 189 W CA -0.097 57.062 57.345 -0.311 0.000 1.228 189 W CB 1.649 30.949 29.460 -0.268 0.000 1.135 189 W HN 0.328 8.472 8.180 -0.060 0.000 0.576 190 L N 1.574 122.801 121.223 0.008 0.000 2.356 190 L HA 0.682 nan 4.340 nan 0.000 0.277 190 L C -2.374 174.458 176.870 -0.064 0.000 0.996 190 L CA -0.878 54.029 54.840 0.111 0.000 0.822 190 L CB 3.138 45.345 42.059 0.247 0.000 1.256 190 L HN 0.466 8.745 8.230 0.081 0.000 0.413 191 H N 6.067 125.253 119.070 0.194 0.000 2.589 191 H HA 0.628 nan 4.556 nan 0.000 0.351 191 H C -2.230 173.078 175.328 -0.034 0.000 1.074 191 H CA -1.196 54.899 56.048 0.077 0.000 1.203 191 H CB 3.155 32.941 29.762 0.039 0.000 1.558 191 H HN 0.688 9.091 8.280 0.205 0.000 0.522 192 V N 3.048 122.954 119.914 -0.012 0.000 2.334 192 V HA 0.645 nan 4.120 nan 0.000 0.281 192 V C -2.373 173.567 176.094 -0.256 0.000 1.016 192 V CA -2.250 59.863 62.300 -0.312 0.000 0.832 192 V CB 1.093 32.687 31.823 -0.382 0.000 0.999 192 V HN 0.833 9.044 8.190 0.034 0.000 0.439 193 c N 9.302 127.716 118.600 -0.310 0.000 2.351 193 c HA 0.829 nan 4.570 nan 0.000 0.326 193 c C -1.126 172.739 174.090 -0.375 0.000 1.272 193 c CA -2.439 53.726 56.329 -0.273 0.000 1.650 193 c CB 0.978 43.360 42.510 -0.214 0.000 2.257 193 c HN 0.387 8.387 8.230 -0.382 0.000 0.505 194 I N 4.321 124.619 120.570 -0.453 0.000 2.418 194 I HA 0.633 nan 4.170 nan 0.000 0.287 194 I C -1.387 174.026 176.117 -1.173 0.000 1.008 194 I CA -0.759 60.127 61.300 -0.690 0.000 1.104 194 I CB 1.584 39.191 38.000 -0.655 0.000 1.264 194 I HN 0.228 8.205 8.210 -0.389 0.000 0.438 195 T N 5.222 119.165 114.554 -1.019 0.000 2.804 195 T HA 0.629 nan 4.350 nan 0.000 0.290 195 T C -1.498 172.903 174.700 -0.498 0.000 1.099 195 T CA -2.017 59.436 62.100 -1.079 0.000 1.011 195 T CB 3.192 71.781 68.868 -0.465 0.000 1.291 195 T HN 0.373 8.212 8.240 -0.669 0.000 0.523 196 G N -0.802 107.980 108.800 -0.029 0.000 2.422 196 G HA2 -0.235 nan 3.960 nan 0.000 0.607 196 G HA3 -0.235 nan 3.960 nan 0.000 0.607 196 G C -1.920 173.170 174.900 0.317 0.000 1.270 196 G CA -0.390 44.782 45.100 0.119 0.000 0.992 196 G HN 0.001 8.342 8.290 0.086 0.000 0.499 197 D N 1.658 122.159 120.400 0.168 0.000 2.382 197 D HA 0.002 nan 4.640 nan 0.000 0.240 197 D C 0.819 177.219 176.300 0.167 0.000 1.146 197 D CA 0.107 54.183 54.000 0.127 0.000 0.897 197 D CB 0.526 41.361 40.800 0.059 0.000 1.197 197 D HN 0.144 8.575 8.370 0.102 0.000 0.432 198 D N 2.200 122.642 120.400 0.070 0.000 2.117 198 D HA -0.256 nan 4.640 nan 0.000 0.197 198 D C 1.405 177.725 176.300 0.034 0.000 0.987 198 D CA 3.616 57.630 54.000 0.023 0.000 0.829 198 D CB -0.235 40.516 40.800 -0.082 0.000 0.961 198 D HN 0.334 8.714 8.370 0.017 0.000 0.460 199 K N -4.884 115.526 120.400 0.016 0.000 2.486 199 K HA -0.078 nan 4.320 nan 0.000 0.194 199 K C 0.165 176.770 176.600 0.009 0.000 1.033 199 K CA 0.699 56.989 56.287 0.004 0.000 1.004 199 K CB -0.476 32.024 32.500 -0.000 0.000 0.798 199 K HN 0.163 8.419 8.250 0.011 0.000 0.495 200 N N -1.922 116.795 118.700 0.028 0.000 2.604 200 N HA 0.063 nan 4.740 nan 0.000 0.284 200 N C -1.936 173.586 175.510 0.021 0.000 1.716 200 N CA -0.309 52.750 53.050 0.016 0.000 0.859 200 N CB 1.415 39.911 38.487 0.016 0.000 1.403 200 N HN -0.695 7.528 8.380 0.054 0.189 0.501 201 A N -0.496 122.345 122.820 0.036 0.000 2.366 201 A HA 0.201 nan 4.320 nan 0.000 0.250 201 A C -1.651 175.879 177.584 -0.090 0.000 1.099 201 A CA 0.214 52.253 52.037 0.003 0.000 0.794 201 A CB 1.030 20.066 19.000 0.060 0.000 1.056 201 A HN -0.391 7.789 8.150 0.049 0.000 0.499 202 T N -3.044 111.412 114.554 -0.164 0.000 2.952 202 T HA 0.654 nan 4.350 nan 0.000 0.305 202 T C -2.476 172.097 174.700 -0.211 0.000 1.064 202 T CA -1.339 60.681 62.100 -0.133 0.000 1.008 202 T CB 2.683 71.507 68.868 -0.074 0.000 1.078 202 T HN 0.322 8.415 8.240 -0.246 0.000 0.459 203 A N 5.694 128.422 122.820 -0.154 0.000 2.288 203 A HA 0.851 nan 4.320 nan 0.000 0.320 203 A C -1.788 175.658 177.584 -0.230 0.000 1.217 203 A CA -2.466 49.411 52.037 -0.267 0.000 0.840 203 A CB 1.790 20.622 19.000 -0.280 0.000 1.179 203 A HN 0.877 8.994 8.150 -0.054 0.000 0.504 204 S N 3.786 119.301 115.700 -0.308 0.000 2.489 204 S HA 0.729 nan 4.470 nan 0.000 0.291 204 S C -1.173 173.225 174.600 -0.336 0.000 1.151 204 S CA -1.256 56.849 58.200 -0.158 0.000 1.082 204 S CB 1.411 64.554 63.200 -0.096 0.000 1.019 204 S HN 0.738 8.843 8.310 -0.342 0.000 0.492 205 F N 3.977 123.945 119.950 0.032 0.000 2.347 205 F HA 0.490 nan 4.527 nan 0.000 0.366 205 F C -1.248 174.613 175.800 0.100 0.000 1.107 205 F CA -1.219 56.820 58.000 0.065 0.000 1.058 205 F CB 1.022 40.052 39.000 0.049 0.000 1.236 205 F HN 0.753 9.249 8.300 0.325 0.000 0.456 206 I N 4.057 124.761 120.570 0.223 0.000 2.312 206 I HA 0.410 nan 4.170 nan 0.000 0.290 206 I C -2.141 174.157 176.117 0.302 0.000 1.008 206 I CA -0.671 60.768 61.300 0.232 0.000 1.226 206 I CB 1.252 39.361 38.000 0.181 0.000 1.371 206 I HN 0.628 8.937 8.210 0.166 0.000 0.468 207 Y N 9.086 129.470 120.300 0.140 0.000 2.391 207 Y HA 0.223 nan 4.550 nan 0.000 0.341 207 Y C -1.107 174.853 175.900 0.100 0.000 0.965 207 Y CA -1.264 56.902 58.100 0.110 0.000 1.067 207 Y CB 3.403 41.917 38.460 0.091 0.000 1.199 207 Y HN 0.588 9.057 8.280 0.315 0.000 0.450 208 D N 9.657 129.772 120.400 -0.475 0.000 2.708 208 D HA -0.406 nan 4.640 nan 0.000 0.236 208 D C -0.132 176.143 176.300 -0.042 0.000 1.146 208 D CA 1.242 55.058 54.000 -0.307 0.000 0.662 208 D CB -0.877 39.727 40.800 -0.327 0.000 1.059 208 D HN 0.468 8.435 8.370 -0.673 0.000 0.428 209 G N -5.097 103.721 108.800 0.030 0.000 2.225 209 G HA2 -0.449 nan 3.960 nan 0.000 0.254 209 G HA3 -0.449 nan 3.960 nan 0.000 0.254 209 G C -1.242 173.698 174.900 0.066 0.000 0.988 209 G CA 0.237 45.370 45.100 0.056 0.000 0.625 209 G HN 0.588 8.883 8.290 0.047 0.023 0.527 210 R N -1.378 119.176 120.500 0.090 0.000 2.803 210 R HA 0.356 nan 4.340 nan 0.000 0.276 210 R C -1.728 174.644 176.300 0.120 0.000 0.978 210 R CA -2.180 53.975 56.100 0.092 0.000 0.939 210 R CB 2.168 32.520 30.300 0.086 0.000 1.179 210 R HN -0.391 7.777 8.270 0.103 0.164 0.472 211 L N 2.562 123.843 121.223 0.096 0.000 2.369 211 L HA 0.044 nan 4.340 nan 0.000 0.279 211 L C -0.206 176.734 176.870 0.116 0.000 1.108 211 L CA 0.906 55.809 54.840 0.105 0.000 0.852 211 L CB 0.212 42.313 42.059 0.070 0.000 1.169 211 L HN 0.190 8.464 8.230 0.074 0.000 0.452 212 V N 6.070 126.075 119.914 0.153 0.000 3.263 212 V HA 0.186 nan 4.120 nan 0.000 0.248 212 V C -1.103 175.051 176.094 0.101 0.000 1.145 212 V CA 0.614 62.989 62.300 0.125 0.000 1.107 212 V CB 1.181 33.085 31.823 0.136 0.000 0.797 212 V HN 0.947 9.253 8.190 0.193 0.000 0.467 213 D N -3.563 116.933 120.400 0.160 0.000 2.692 213 D HA 0.315 nan 4.640 nan 0.000 0.290 213 D C -2.716 173.754 176.300 0.283 0.000 1.281 213 D CA -0.626 53.455 54.000 0.136 0.000 0.804 213 D CB 3.749 44.544 40.800 -0.010 0.000 1.331 213 D HN -0.661 7.845 8.370 0.226 0.000 0.432 214 S N -1.542 114.303 115.700 0.242 0.000 2.567 214 S HA 0.880 nan 4.470 nan 0.000 0.270 214 S C -1.780 172.963 174.600 0.239 0.000 1.152 214 S CA -0.987 57.393 58.200 0.299 0.000 0.835 214 S CB 2.995 66.279 63.200 0.141 0.000 1.115 214 S HN 0.086 8.473 8.310 0.129 0.000 0.459 215 I N -0.122 120.608 120.570 0.267 0.000 2.913 215 I HA 0.373 nan 4.170 nan 0.000 0.302 215 I C -1.713 174.486 176.117 0.137 0.000 1.246 215 I CA -0.892 60.537 61.300 0.214 0.000 1.010 215 I CB 4.472 42.656 38.000 0.307 0.000 1.259 215 I HN 0.444 8.806 8.210 0.253 0.000 0.434 216 G N 3.278 112.150 108.800 0.119 0.000 2.454 216 G HA2 0.420 nan 3.960 nan 0.000 0.329 216 G HA3 0.420 nan 3.960 nan 0.000 0.329 216 G C -1.787 173.129 174.900 0.027 0.000 1.177 216 G CA -1.633 43.496 45.100 0.049 0.000 0.951 216 G HN 0.047 8.426 8.290 0.149 0.000 0.485 217 S N 0.644 116.292 115.700 -0.086 0.000 2.593 217 S HA -0.239 nan 4.470 nan 0.000 0.300 217 S C 0.133 174.692 174.600 -0.068 0.000 1.267 217 S CA 0.931 58.995 58.200 -0.225 0.000 1.065 217 S CB 0.719 63.830 63.200 -0.149 0.000 0.807 217 S HN -0.179 8.087 8.310 -0.073 0.000 0.499 218 W N 4.065 125.381 121.300 0.027 0.000 3.127 218 W HA 0.378 nan 4.660 nan 0.000 0.344 218 W C -0.867 175.662 176.519 0.016 0.000 1.151 218 W CA -1.522 55.834 57.345 0.018 0.000 1.765 218 W CB 0.367 29.834 29.460 0.012 0.000 1.085 218 W HN 0.065 7.822 8.180 -0.967 -0.158 0.596 219 S N -1.745 113.969 115.700 0.024 0.000 2.847 219 S HA 0.130 nan 4.470 nan 0.000 0.254 219 S C -0.621 173.976 174.600 -0.004 0.000 1.039 219 S CA -0.121 58.122 58.200 0.072 0.000 1.113 219 S CB 1.600 64.862 63.200 0.104 0.000 1.092 219 S HN -0.526 7.874 8.310 -0.234 -0.230 0.620 220 Q N -3.174 116.604 119.800 -0.037 0.000 2.437 220 Q HA -0.348 nan 4.340 nan 0.000 0.274 220 Q C -1.620 174.361 176.000 -0.032 0.000 1.165 220 Q CA 1.288 57.075 55.803 -0.027 0.000 0.925 220 Q CB -1.793 26.945 28.738 0.000 0.000 1.327 220 Q HN 0.210 8.446 8.270 -0.056 0.000 0.505 221 N N -1.294 117.373 118.700 -0.055 0.000 2.722 221 N HA 0.179 nan 4.740 nan 0.000 0.242 221 N C -1.711 173.770 175.510 -0.049 0.000 1.398 221 N CA -0.370 52.654 53.050 -0.043 0.000 0.755 221 N CB 0.585 39.053 38.487 -0.031 0.000 1.268 221 N HN -0.394 8.199 8.380 -0.095 -0.270 0.522 222 I N -0.356 120.198 120.570 -0.027 0.000 7.533 222 I HA -0.584 nan 4.170 nan 0.000 0.126 222 I C -1.356 174.788 176.117 0.045 0.000 1.830 222 I CA 0.907 62.218 61.300 0.019 0.000 2.068 222 I CB -1.975 35.983 38.000 -0.070 0.000 3.648 222 I HN 0.737 8.832 8.210 -0.015 0.106 0.179 223 L N 6.173 127.411 121.223 0.024 0.000 2.559 223 L HA 0.013 nan 4.340 nan 0.000 0.274 223 L C -0.866 176.044 176.870 0.067 0.000 1.205 223 L CA 1.489 56.245 54.840 -0.140 0.000 0.907 223 L CB 0.449 42.341 42.059 -0.279 0.000 1.153 223 L HN 0.072 8.335 8.230 0.055 0.000 0.490 224 R N 2.837 123.348 120.500 0.017 0.000 2.739 224 R HA 0.709 nan 4.340 nan 0.000 0.271 224 R C -2.332 173.996 176.300 0.046 0.000 1.010 224 R CA -1.947 54.218 56.100 0.108 0.000 0.897 224 R CB 4.085 34.473 30.300 0.147 0.000 1.236 224 R HN 0.633 8.868 8.270 -0.058 0.000 0.466 225 T N -1.726 112.859 114.554 0.052 0.000 2.604 225 T HA 0.481 nan 4.350 nan 0.000 0.267 225 T C 0.728 175.443 174.700 0.024 0.000 0.923 225 T CA -1.744 60.371 62.100 0.025 0.000 1.077 225 T CB 1.966 70.828 68.868 -0.010 0.000 1.392 225 T HN 0.226 8.516 8.240 0.083 0.000 0.531 226 Q N 0.581 120.373 119.800 -0.015 0.000 2.135 226 Q HA -0.276 nan 4.340 nan 0.000 0.204 226 Q C 1.057 177.039 176.000 -0.030 0.000 0.981 226 Q CA 3.121 58.905 55.803 -0.031 0.000 0.856 226 Q CB 0.369 29.064 28.738 -0.071 0.000 0.902 226 Q HN 0.452 8.703 8.270 -0.031 0.000 0.425 227 E N -6.855 113.294 120.200 -0.086 0.000 2.868 227 E HA -0.418 nan 4.350 nan 0.000 0.278 227 E C -1.751 174.683 176.600 -0.277 0.000 1.009 227 E CA 1.231 57.600 56.400 -0.051 0.000 0.856 227 E CB -2.126 27.716 29.700 0.237 0.000 1.428 227 E HN 0.223 8.521 8.360 -0.103 0.000 0.423 228 S N -5.316 110.003 115.700 -0.635 0.000 2.703 228 S HA 0.271 nan 4.470 nan 0.000 0.273 228 S C -1.837 172.399 174.600 -0.606 0.000 1.178 228 S CA -0.862 56.955 58.200 -0.638 0.000 0.838 228 S CB 2.502 65.734 63.200 0.054 0.000 1.178 228 S HN -0.867 7.091 8.310 -0.533 0.032 0.494 229 E N -1.934 118.159 120.200 -0.179 0.000 2.383 229 E HA 0.159 nan 4.350 nan 0.000 0.264 229 E C -0.035 176.557 176.600 -0.014 0.000 1.050 229 E CA -0.501 55.880 56.400 -0.032 0.000 0.896 229 E CB 0.512 30.316 29.700 0.174 0.000 0.982 229 E HN 0.228 8.611 8.360 0.038 0.000 0.424 230 c N -1.768 116.836 118.600 0.007 0.000 2.365 230 c HA 0.822 nan 4.570 nan 0.000 0.374 230 c C -0.401 173.707 174.090 0.031 0.000 1.318 230 c CA -2.342 53.990 56.329 0.006 0.000 2.239 230 c CB 0.921 43.442 42.510 0.019 0.000 2.144 230 c HN -0.305 7.837 8.230 0.035 0.108 0.581 231 V N -2.318 117.601 119.914 0.008 0.000 2.760 231 V HA 0.544 nan 4.120 nan 0.000 0.309 231 V C -2.392 173.750 176.094 0.080 0.000 1.077 231 V CA -1.183 61.130 62.300 0.020 0.000 0.910 231 V CB 3.892 35.640 31.823 -0.126 0.000 1.008 231 V HN -0.102 8.080 8.190 -0.015 0.000 0.424 232 c N 6.039 124.761 118.600 0.204 0.000 2.417 232 c HA 0.895 nan 4.570 nan 0.000 0.324 232 c C -1.351 172.927 174.090 0.314 0.000 1.240 232 c CA -2.079 54.370 56.329 0.201 0.000 1.632 232 c CB 1.424 44.028 42.510 0.158 0.000 2.241 232 c HN 0.515 8.941 8.230 0.327 0.000 0.499 233 I N 1.611 122.306 120.570 0.207 0.000 2.478 233 I HA 0.158 nan 4.170 nan 0.000 0.287 233 I C -0.524 175.649 176.117 0.092 0.000 1.042 233 I CA -0.741 60.706 61.300 0.245 0.000 1.067 233 I CB 2.391 40.547 38.000 0.260 0.000 1.233 233 I HN 0.705 8.997 8.210 0.138 0.000 0.431 234 N N 7.034 125.768 118.700 0.057 0.000 2.714 234 N HA -0.366 nan 4.740 nan 0.000 0.250 234 N C 0.029 175.294 175.510 -0.408 0.000 1.117 234 N CA 1.492 54.512 53.050 -0.050 0.000 0.719 234 N CB -1.427 37.075 38.487 0.026 0.000 1.081 234 N HN 1.258 9.706 8.380 0.113 0.000 0.557 235 G N -6.632 101.773 108.800 -0.658 0.000 2.194 235 G HA2 -0.405 nan 3.960 nan 0.000 0.236 235 G HA3 -0.405 nan 3.960 nan 0.000 0.236 235 G C -1.514 173.123 174.900 -0.438 0.000 0.987 235 G CA 0.253 44.665 45.100 -1.146 0.000 0.635 235 G HN 0.249 8.299 8.290 -0.335 0.039 0.520 236 T N 3.354 117.797 114.554 -0.184 0.000 2.771 236 T HA 0.535 nan 4.350 nan 0.000 0.281 236 T C -1.577 173.150 174.700 0.046 0.000 0.982 236 T CA -0.094 61.993 62.100 -0.021 0.000 0.978 236 T CB 1.500 70.424 68.868 0.095 0.000 0.930 236 T HN -0.580 7.416 8.240 -0.144 0.157 0.447 237 c N 7.071 125.695 118.600 0.040 0.000 2.355 237 c HA 0.892 nan 4.570 nan 0.000 0.332 237 c C -0.691 173.388 174.090 -0.019 0.000 1.255 237 c CA -1.535 54.818 56.329 0.039 0.000 1.792 237 c CB 1.706 44.245 42.510 0.048 0.000 2.300 237 c HN 0.777 9.015 8.230 0.014 0.000 0.515 238 T N 2.562 117.073 114.554 -0.073 0.000 2.855 238 T HA 0.619 nan 4.350 nan 0.000 0.281 238 T C -2.169 172.444 174.700 -0.146 0.000 1.007 238 T CA -1.910 60.045 62.100 -0.243 0.000 1.009 238 T CB 1.374 70.049 68.868 -0.321 0.000 0.983 238 T HN 0.837 9.060 8.240 -0.028 0.000 0.455 239 V N 3.458 123.280 119.914 -0.154 0.000 2.733 239 V HA 0.574 nan 4.120 nan 0.000 0.306 239 V C -2.616 173.442 176.094 -0.060 0.000 1.084 239 V CA -1.224 61.040 62.300 -0.060 0.000 0.905 239 V CB 3.568 35.409 31.823 0.030 0.000 1.010 239 V HN -0.105 7.940 8.190 -0.242 0.000 0.424 240 V N 6.770 126.660 119.914 -0.039 0.000 2.481 240 V HA 0.851 nan 4.120 nan 0.000 0.286 240 V C -1.779 174.346 176.094 0.052 0.000 1.042 240 V CA -2.586 59.709 62.300 -0.008 0.000 0.928 240 V CB 1.449 33.259 31.823 -0.022 0.000 0.986 240 V HN 0.316 8.480 8.190 -0.043 0.000 0.462 241 M N 6.337 126.012 119.600 0.126 0.000 2.619 241 M HA 0.759 nan 4.480 nan 0.000 0.297 241 M C -2.205 174.245 176.300 0.249 0.000 1.229 241 M CA -1.074 54.336 55.300 0.183 0.000 0.860 241 M CB 5.057 37.835 32.600 0.297 0.000 1.741 241 M HN 0.755 9.126 8.290 0.135 0.000 0.462 242 T N 0.046 114.697 114.554 0.162 0.000 2.916 242 T HA 0.612 nan 4.350 nan 0.000 0.305 242 T C -2.961 171.752 174.700 0.022 0.000 1.119 242 T CA -1.063 61.136 62.100 0.165 0.000 1.008 242 T CB 2.901 71.796 68.868 0.046 0.000 1.129 242 T HN 0.557 8.843 8.240 0.078 0.000 0.480 243 D N 4.986 125.413 120.400 0.045 0.000 2.896 243 D HA 0.875 nan 4.640 nan 0.000 0.241 243 D C -1.389 174.917 176.300 0.009 0.000 1.188 243 D CA -1.246 52.658 54.000 -0.160 0.000 0.879 243 D CB 3.598 43.967 40.800 -0.718 0.000 1.553 243 D HN 0.050 8.573 8.370 0.254 0.000 0.515 244 G N 3.760 112.553 108.800 -0.012 0.000 2.302 244 G HA2 -0.117 nan 3.960 nan 0.000 0.276 244 G HA3 -0.117 nan 3.960 nan 0.000 0.276 244 G C -2.213 172.695 174.900 0.015 0.000 1.316 244 G CA -0.119 44.993 45.100 0.019 0.000 0.988 244 G HN 0.119 8.385 8.290 -0.040 0.000 0.479 245 S N -0.616 115.083 115.700 -0.001 0.000 2.560 245 S HA -0.101 nan 4.470 nan 0.000 0.284 245 S C 1.049 175.695 174.600 0.077 0.000 1.327 245 S CA -1.313 56.870 58.200 -0.029 0.000 1.055 245 S CB 0.570 63.679 63.200 -0.151 0.000 0.868 245 S HN -0.063 8.238 8.310 -0.015 0.000 0.506 246 A N 6.100 128.942 122.820 0.036 0.000 2.072 246 A HA 0.054 nan 4.320 nan 0.000 0.216 246 A C -0.262 177.294 177.584 -0.046 0.000 1.156 246 A CA 1.539 53.645 52.037 0.115 0.000 0.701 246 A CB 0.430 19.470 19.000 0.066 0.000 0.816 246 A HN 0.635 8.776 8.150 -0.014 0.000 0.458 247 S N -2.270 113.298 115.700 -0.219 0.000 2.359 247 S HA 0.151 nan 4.470 nan 0.000 0.148 247 S C -1.746 172.437 174.600 -0.694 0.000 1.610 247 S CA -0.120 57.873 58.200 -0.345 0.000 1.274 247 S CB 0.264 63.421 63.200 -0.072 0.000 1.380 247 S HN -0.733 7.442 8.310 -0.181 0.027 0.380 248 G N -0.823 107.243 108.800 -1.223 0.000 2.320 248 G HA2 -0.058 nan 3.960 nan 0.000 0.296 248 G HA3 -0.058 nan 3.960 nan 0.000 0.296 248 G C -3.119 171.040 174.900 -1.235 0.000 1.306 248 G CA 0.095 44.302 45.100 -1.489 0.000 0.836 248 G HN -0.651 6.948 8.290 -1.151 0.000 0.517 249 R N -1.443 118.523 120.500 -0.891 0.000 2.522 249 R HA -0.028 nan 4.340 nan 0.000 0.284 249 R C -0.910 175.327 176.300 -0.105 0.000 1.032 249 R CA 0.897 56.790 56.100 -0.346 0.000 1.049 249 R CB 0.470 30.686 30.300 -0.139 0.000 0.956 249 R HN 0.209 8.014 8.270 -0.776 0.000 0.422 250 A N 4.350 127.200 122.820 0.050 0.000 2.486 250 A HA 0.423 nan 4.320 nan 0.000 0.289 250 A C -1.987 175.664 177.584 0.112 0.000 1.176 250 A CA -1.821 50.265 52.037 0.081 0.000 0.757 250 A CB 3.000 22.050 19.000 0.083 0.000 1.337 250 A HN 0.091 8.309 8.150 0.114 0.000 0.423 251 D N -0.371 120.133 120.400 0.173 0.000 2.441 251 D HA 0.231 nan 4.640 nan 0.000 0.231 251 D C -1.063 175.418 176.300 0.303 0.000 1.073 251 D CA -0.968 53.169 54.000 0.228 0.000 0.850 251 D CB 1.374 42.372 40.800 0.330 0.000 1.062 251 D HN 0.234 8.715 8.370 0.185 0.000 0.524 252 T N 6.134 120.782 114.554 0.157 0.000 2.829 252 T HA 0.605 nan 4.350 nan 0.000 0.282 252 T C -1.441 173.294 174.700 0.057 0.000 0.990 252 T CA -0.391 61.795 62.100 0.143 0.000 1.028 252 T CB 1.259 70.167 68.868 0.067 0.000 0.951 252 T HN 0.294 8.595 8.240 0.102 0.000 0.460 253 R N 3.271 123.809 120.500 0.063 0.000 2.808 253 R HA 0.974 nan 4.340 nan 0.000 0.272 253 R C -1.888 174.398 176.300 -0.022 0.000 0.995 253 R CA -1.349 54.704 56.100 -0.078 0.000 0.917 253 R CB 4.640 34.720 30.300 -0.368 0.000 1.217 253 R HN 0.791 9.181 8.270 0.200 0.000 0.471 254 I N 1.324 121.859 120.570 -0.057 0.000 2.382 254 I HA 0.538 nan 4.170 nan 0.000 0.285 254 I C -1.405 174.591 176.117 -0.202 0.000 1.007 254 I CA -0.999 60.221 61.300 -0.132 0.000 1.142 254 I CB 0.946 38.862 38.000 -0.141 0.000 1.289 254 I HN 0.831 8.903 8.210 -0.049 0.109 0.453 255 L N 5.056 126.146 121.223 -0.221 0.000 2.357 255 L HA 0.690 nan 4.340 nan 0.000 0.273 255 L C -1.132 175.496 176.870 -0.404 0.000 1.080 255 L CA -0.779 53.954 54.840 -0.179 0.000 0.803 255 L CB 0.959 42.982 42.059 -0.061 0.000 1.174 255 L HN 0.122 8.254 8.230 -0.163 0.000 0.443 256 F N 0.928 120.814 119.950 -0.107 0.000 2.449 256 F HA 0.656 nan 4.527 nan 0.000 0.342 256 F C -1.367 174.352 175.800 -0.134 0.000 1.127 256 F CA -0.962 56.975 58.000 -0.104 0.000 0.975 256 F CB 2.336 41.225 39.000 -0.185 0.000 1.146 256 F HN 0.462 8.819 8.300 0.096 0.000 0.444 257 I N 1.284 121.865 120.570 0.019 0.000 2.499 257 I HA 0.753 nan 4.170 nan 0.000 0.288 257 I C -2.370 173.697 176.117 -0.083 0.000 1.048 257 I CA -1.584 59.674 61.300 -0.070 0.000 1.062 257 I CB 3.571 41.492 38.000 -0.132 0.000 1.238 257 I HN 0.822 9.050 8.210 0.031 0.000 0.426 258 E N 8.443 128.566 120.200 -0.128 0.000 2.129 258 E HA 0.316 nan 4.350 nan 0.000 0.268 258 E C -0.355 176.068 176.600 -0.295 0.000 0.900 258 E CA -1.254 55.038 56.400 -0.180 0.000 0.755 258 E CB 1.355 30.985 29.700 -0.116 0.000 1.117 258 E HN 0.528 8.813 8.360 -0.124 0.000 0.410 259 E N 5.510 125.377 120.200 -0.555 0.000 2.360 259 E HA -0.380 nan 4.350 nan 0.000 0.238 259 E C -0.866 175.272 176.600 -0.771 0.000 1.186 259 E CA 0.963 56.717 56.400 -1.077 0.000 0.719 259 E CB -1.830 27.588 29.700 -0.470 0.000 1.236 259 E HN 1.064 9.120 8.360 -0.506 0.000 0.386 260 G N -6.574 101.933 108.800 -0.489 0.000 2.199 260 G HA2 -0.381 nan 3.960 nan 0.000 0.254 260 G HA3 -0.381 nan 3.960 nan 0.000 0.254 260 G C -0.912 173.937 174.900 -0.084 0.000 0.982 260 G CA 0.134 45.194 45.100 -0.067 0.000 0.632 260 G HN 0.240 8.223 8.290 -0.495 0.010 0.529 261 K N 1.010 121.313 120.400 -0.161 0.000 2.213 261 K HA 0.228 nan 4.320 nan 0.000 0.270 261 K C -0.950 175.522 176.600 -0.214 0.000 1.002 261 K CA -2.176 54.013 56.287 -0.163 0.000 0.868 261 K CB 0.984 33.416 32.500 -0.112 0.000 1.093 261 K HN -0.490 7.442 8.250 -0.203 0.195 0.454 262 I N 7.843 128.238 120.570 -0.293 0.000 2.483 262 I HA -0.150 nan 4.170 nan 0.000 0.291 262 I C 0.482 176.503 176.117 -0.160 0.000 1.112 262 I CA 1.547 62.673 61.300 -0.290 0.000 1.350 262 I CB -0.891 36.889 38.000 -0.366 0.000 1.419 262 I HN -0.112 8.212 8.210 -0.300 -0.293 0.523 263 V N 3.451 123.303 119.914 -0.102 0.000 3.590 263 V HA 0.211 nan 4.120 nan 0.000 0.265 263 V C -0.551 175.508 176.094 -0.059 0.000 1.239 263 V CA 0.086 62.345 62.300 -0.068 0.000 1.117 263 V CB 0.637 32.435 31.823 -0.040 0.000 0.818 263 V HN 0.885 9.025 8.190 -0.084 0.000 0.451 264 H N -1.007 117.938 119.070 -0.208 0.000 3.043 264 H HA 0.244 nan 4.556 nan 0.000 0.317 264 H C -2.899 172.360 175.328 -0.116 0.000 1.321 264 H CA 0.210 56.084 56.048 -0.290 0.000 1.243 264 H CB 4.064 33.337 29.762 -0.816 0.000 1.924 264 H HN -0.676 7.588 8.280 -0.027 0.000 0.527 265 I N 3.018 123.342 120.570 -0.410 0.000 2.534 265 I HA 0.253 nan 4.170 nan 0.000 0.288 265 I C -1.385 174.640 176.117 -0.154 0.000 1.077 265 I CA -0.523 60.675 61.300 -0.170 0.000 1.051 265 I CB 3.329 41.173 38.000 -0.260 0.000 1.234 265 I HN 0.220 7.813 8.210 -1.028 0.000 0.425 266 S N 7.192 122.958 115.700 0.110 0.000 2.482 266 S HA 0.582 nan 4.470 nan 0.000 0.303 266 S C -2.296 172.314 174.600 0.017 0.000 1.091 266 S CA -2.726 55.560 58.200 0.145 0.000 1.057 266 S CB 1.355 64.765 63.200 0.350 0.000 1.031 266 S HN 0.629 9.031 8.310 0.154 0.000 0.485 267 P HA 0.445 nan 4.420 nan 0.000 0.282 267 P C -1.483 175.818 177.300 0.003 0.000 1.259 267 P CA -0.902 62.166 63.100 -0.054 0.000 0.826 267 P CB 0.729 32.386 31.700 -0.073 0.000 1.064 268 L N 0.020 121.245 121.223 0.004 0.000 2.483 268 L HA -0.146 nan 4.340 nan 0.000 0.276 268 L C -0.799 176.091 176.870 0.034 0.000 1.213 268 L CA 1.352 56.208 54.840 0.026 0.000 0.843 268 L CB 0.403 42.481 42.059 0.031 0.000 1.107 268 L HN -0.316 7.907 8.230 -0.011 0.000 0.487 269 A N 3.645 126.488 122.820 0.039 0.000 2.569 269 A HA 0.492 nan 4.320 nan 0.000 0.290 269 A C -1.560 176.048 177.584 0.041 0.000 1.136 269 A CA -0.845 51.217 52.037 0.041 0.000 0.710 269 A CB 2.519 21.544 19.000 0.041 0.000 1.303 269 A HN 0.376 8.549 8.150 0.037 0.000 0.413 270 G N -0.828 107.998 108.800 0.043 0.000 2.548 270 G HA2 -0.220 nan 3.960 nan 0.000 0.208 270 G HA3 -0.220 nan 3.960 nan 0.000 0.208 270 G C -0.849 174.087 174.900 0.060 0.000 1.308 270 G CA 0.076 45.202 45.100 0.043 0.000 0.924 270 G HN 0.087 8.403 8.290 0.043 0.000 0.540 271 S N 1.375 117.119 115.700 0.073 0.000 2.557 271 S HA 0.071 nan 4.470 nan 0.000 0.223 271 S C 0.347 175.069 174.600 0.202 0.000 0.969 271 S CA -0.459 57.813 58.200 0.120 0.000 0.927 271 S CB 0.839 64.110 63.200 0.118 0.000 0.806 271 S HN 0.269 8.530 8.310 0.061 0.086 0.489 272 A N 1.806 124.694 122.820 0.112 0.000 2.477 272 A HA -0.128 nan 4.320 nan 0.000 0.246 272 A C -0.059 177.656 177.584 0.218 0.000 1.078 272 A CA 0.957 53.032 52.037 0.065 0.000 0.770 272 A CB 0.291 19.218 19.000 -0.121 0.000 1.011 272 A HN -0.330 7.852 8.150 0.053 0.000 0.494 273 Q N 1.035 121.055 119.800 0.367 0.000 2.391 273 Q HA 0.018 nan 4.340 nan 0.000 0.211 273 Q C 0.100 176.427 176.000 0.546 0.000 0.908 273 Q CA 0.703 56.746 55.803 0.401 0.000 0.920 273 Q CB 2.017 30.933 28.738 0.297 0.000 1.056 273 Q HN 0.346 8.949 8.270 0.555 0.000 0.523 274 H N -3.561 115.698 119.070 0.316 0.000 3.042 274 H HA 0.186 nan 4.556 nan 0.000 0.345 274 H C -1.794 173.623 175.328 0.148 0.000 1.052 274 H CA -0.027 56.183 56.048 0.270 0.000 1.311 274 H CB 2.544 32.536 29.762 0.382 0.000 1.810 274 H HN -0.642 7.876 8.280 0.396 0.000 0.505 275 V N 7.605 127.439 119.914 -0.133 0.000 2.525 275 V HA 0.284 nan 4.120 nan 0.000 0.299 275 V C -2.176 173.819 176.094 -0.165 0.000 1.034 275 V CA -0.566 61.673 62.300 -0.101 0.000 0.863 275 V CB 2.034 33.827 31.823 -0.051 0.000 0.999 275 V HN 0.471 8.510 8.190 -0.251 0.000 0.423 276 E N 3.515 123.661 120.200 -0.090 0.000 2.408 276 E HA 0.352 nan 4.350 nan 0.000 0.275 276 E C -1.284 175.310 176.600 -0.011 0.000 0.935 276 E CA -1.855 54.513 56.400 -0.052 0.000 0.775 276 E CB 4.772 34.455 29.700 -0.027 0.000 1.277 276 E HN 0.013 8.348 8.360 -0.042 0.000 0.455 277 E N -1.717 118.487 120.200 0.007 0.000 2.183 277 E HA -0.452 nan 4.350 nan 0.000 0.196 277 E C -1.231 175.371 176.600 0.003 0.000 1.364 277 E CA 0.437 56.841 56.400 0.006 0.000 0.700 277 E CB -1.709 27.973 29.700 -0.030 0.000 1.106 277 E HN 0.520 8.891 8.360 0.018 0.000 0.347 278 c N -0.980 117.624 118.600 0.007 0.000 2.653 278 c HA -0.002 nan 4.570 nan 0.000 0.421 278 c C 0.228 174.346 174.090 0.046 0.000 1.334 278 c CA 0.408 56.748 56.329 0.019 0.000 1.885 278 c CB -0.023 42.487 42.510 -0.000 0.000 2.645 278 c HN 0.062 8.293 8.230 0.002 0.000 0.601 279 S N 4.855 120.614 115.700 0.097 0.000 2.474 279 S HA 0.333 nan 4.470 nan 0.000 0.320 279 S C -1.288 173.415 174.600 0.171 0.000 1.067 279 S CA -0.393 57.904 58.200 0.162 0.000 1.127 279 S CB 0.614 63.968 63.200 0.255 0.000 0.971 279 S HN 0.293 8.557 8.310 0.102 0.107 0.472 280 c N 5.650 124.309 118.600 0.098 0.000 2.358 280 c HA 0.833 nan 4.570 nan 0.000 0.354 280 c C -1.291 172.847 174.090 0.080 0.000 1.183 280 c CA -1.284 55.053 56.329 0.013 0.000 2.150 280 c CB 1.608 44.081 42.510 -0.061 0.000 2.361 280 c HN 0.610 8.883 8.230 0.072 0.000 0.535 281 Y N -2.006 118.241 120.300 -0.088 0.000 2.552 281 Y HA 0.457 nan 4.550 nan 0.000 0.337 281 Y C -3.394 172.367 175.900 -0.230 0.000 1.094 281 Y CA -3.309 54.676 58.100 -0.192 0.000 1.028 281 Y CB 0.204 38.560 38.460 -0.173 0.000 1.321 281 Y HN 0.659 8.665 8.280 -0.456 0.000 0.456 282 P HA 0.301 nan 4.420 nan 0.000 0.275 282 P C -1.200 176.093 177.300 -0.011 0.000 1.227 282 P CA -0.147 62.816 63.100 -0.228 0.000 0.781 282 P CB 0.731 32.092 31.700 -0.566 0.000 0.906 283 R N 1.056 121.562 120.500 0.009 0.000 2.655 283 R HA 0.328 nan 4.340 nan 0.000 0.261 283 R C -0.570 175.777 176.300 0.078 0.000 1.624 283 R CA -1.315 54.827 56.100 0.069 0.000 1.655 283 R CB 1.345 31.648 30.300 0.005 0.000 1.356 283 R HN 0.594 8.752 8.270 -0.032 0.093 0.684 284 Y N 5.004 125.338 120.300 0.057 0.000 3.036 284 Y HA -0.291 nan 4.550 nan 0.000 0.354 284 Y C -1.405 174.522 175.900 0.046 0.000 1.267 284 Y CA 0.640 58.782 58.100 0.069 0.000 1.606 284 Y CB 0.105 38.626 38.460 0.102 0.000 1.164 284 Y HN 0.299 8.758 8.280 0.298 0.000 0.587 285 P HA 0.217 nan 4.420 nan 0.000 0.254 285 P C -1.798 175.299 177.300 -0.339 0.000 1.494 285 P CA -0.248 62.301 63.100 -0.918 0.000 0.961 285 P CB 0.608 31.759 31.700 -0.915 0.000 1.493 286 G N -0.601 108.095 108.800 -0.174 0.000 3.175 286 G HA2 0.581 nan 3.960 nan 0.000 0.255 286 G HA3 0.581 nan 3.960 nan 0.000 0.255 286 G C -2.902 171.951 174.900 -0.078 0.000 1.352 286 G CA -1.399 43.645 45.100 -0.092 0.000 1.037 286 G HN -0.211 7.817 8.290 -0.144 0.176 0.556 287 V N -1.675 118.183 119.914 -0.094 0.000 2.638 287 V HA 0.722 nan 4.120 nan 0.000 0.306 287 V C -2.263 173.691 176.094 -0.234 0.000 1.052 287 V CA -1.056 61.145 62.300 -0.165 0.000 0.885 287 V CB 3.412 35.168 31.823 -0.112 0.000 0.999 287 V HN -0.312 7.838 8.190 -0.067 0.000 0.424 288 R N 5.045 125.263 120.500 -0.470 0.000 2.599 288 R HA 0.867 nan 4.340 nan 0.000 0.295 288 R C -2.074 173.913 176.300 -0.520 0.000 0.963 288 R CA -1.701 54.105 56.100 -0.489 0.000 0.883 288 R CB 3.741 33.663 30.300 -0.629 0.000 1.171 288 R HN 0.499 8.380 8.270 -0.648 0.000 0.450 289 c N 5.365 123.841 118.600 -0.206 0.000 2.563 289 c HA 0.816 nan 4.570 nan 0.000 0.314 289 c C -1.420 172.694 174.090 0.041 0.000 1.199 289 c CA -1.571 54.716 56.329 -0.071 0.000 1.564 289 c CB 3.131 45.611 42.510 -0.050 0.000 2.173 289 c HN 0.548 8.701 8.230 -0.127 0.000 0.485 290 I N 2.126 122.768 120.570 0.120 0.000 2.410 290 I HA 0.714 nan 4.170 nan 0.000 0.286 290 I C -0.663 175.502 176.117 0.080 0.000 1.009 290 I CA -1.723 59.656 61.300 0.132 0.000 1.111 290 I CB -0.082 38.052 38.000 0.224 0.000 1.262 290 I HN 0.152 8.453 8.210 0.152 0.000 0.443 291 c N 7.265 125.880 118.600 0.024 0.000 3.018 291 c HA 0.866 nan 4.570 nan 0.000 0.393 291 c C -1.360 172.732 174.090 0.004 0.000 2.195 291 c CA -2.394 53.939 56.329 0.007 0.000 1.696 291 c CB 3.810 46.312 42.510 -0.015 0.000 2.455 291 c HN 0.996 9.226 8.230 -0.000 0.000 0.478 292 R N 0.594 121.101 120.500 0.010 0.000 2.437 292 R HA 0.342 nan 4.340 nan 0.000 0.310 292 R C -2.346 174.024 176.300 0.117 0.000 0.955 292 R CA -0.876 55.250 56.100 0.044 0.000 0.851 292 R CB 2.491 32.807 30.300 0.025 0.000 1.161 292 R HN 0.602 8.777 8.270 0.003 0.096 0.446 293 D N 6.961 127.466 120.400 0.176 0.000 2.427 293 D HA 0.132 nan 4.640 nan 0.000 0.226 293 D C -1.067 175.416 176.300 0.306 0.000 1.076 293 D CA -1.121 53.065 54.000 0.310 0.000 0.849 293 D CB 0.996 41.991 40.800 0.325 0.000 1.052 293 D HN -0.209 8.384 8.370 0.142 -0.138 0.515 294 N N 6.566 125.545 118.700 0.464 0.000 2.336 294 N HA 0.043 nan 4.740 nan 0.000 0.189 294 N C -0.213 175.376 175.510 0.132 0.000 1.113 294 N CA 1.083 54.297 53.050 0.274 0.000 0.858 294 N CB 0.895 39.583 38.487 0.336 0.000 0.970 294 N HN 0.318 9.221 8.380 0.872 0.000 0.471 295 W N 1.179 122.373 121.300 -0.176 0.000 3.305 295 W HA 0.245 nan 4.660 nan 0.000 0.252 295 W C -0.076 176.395 176.519 -0.079 0.000 0.929 295 W CA 1.856 59.060 57.345 -0.235 0.000 2.186 295 W CB 1.612 30.823 29.460 -0.415 0.000 1.174 295 W HN 0.201 8.740 8.180 0.264 -0.201 0.589 296 K N -3.460 116.831 120.400 -0.182 0.000 2.374 296 K HA 0.192 nan 4.320 nan 0.000 0.202 296 K C -1.105 175.390 176.600 -0.175 0.000 1.040 296 K CA -0.825 55.244 56.287 -0.363 0.000 1.085 296 K CB 2.013 34.069 32.500 -0.741 0.000 0.873 296 K HN -0.361 8.091 8.250 0.002 -0.201 0.539 297 G N -3.010 105.776 108.800 -0.023 0.000 2.591 297 G HA2 0.462 nan 3.960 nan 0.000 0.306 297 G HA3 0.462 nan 3.960 nan 0.000 0.306 297 G C -1.127 173.803 174.900 0.049 0.000 1.334 297 G CA -0.826 44.275 45.100 0.002 0.000 0.981 297 G HN -0.739 7.770 8.290 0.058 -0.184 0.491 298 S N -0.486 115.222 115.700 0.013 0.000 2.511 298 S HA 0.093 nan 4.470 nan 0.000 0.214 298 S C -0.231 174.388 174.600 0.032 0.000 0.997 298 S CA 0.380 58.591 58.200 0.019 0.000 0.908 298 S CB 1.274 64.470 63.200 -0.007 0.000 0.803 298 S HN -0.111 8.445 8.310 -0.025 -0.261 0.504 299 N N 0.915 119.647 118.700 0.054 0.000 2.493 299 N HA -0.084 nan 4.740 nan 0.000 0.275 299 N C -1.087 174.542 175.510 0.199 0.000 1.186 299 N CA -0.625 52.481 53.050 0.094 0.000 0.978 299 N CB 1.067 39.599 38.487 0.074 0.000 1.184 299 N HN -0.911 7.444 8.380 0.033 0.045 0.487 300 R N -1.857 118.724 120.500 0.135 0.000 2.297 300 R HA 0.416 nan 4.340 nan 0.000 0.308 300 R C -1.715 174.561 176.300 -0.041 0.000 1.029 300 R CA -2.920 53.222 56.100 0.072 0.000 0.929 300 R CB 0.850 31.161 30.300 0.018 0.000 1.046 300 R HN 0.351 8.673 8.270 0.086 0.000 0.461 301 P HA 0.249 nan 4.420 nan 0.000 0.274 301 P C -1.572 175.603 177.300 -0.208 0.000 1.237 301 P CA -0.402 62.380 63.100 -0.529 0.000 0.793 301 P CB 0.410 31.808 31.700 -0.504 0.000 0.977 302 V N 0.238 120.041 119.914 -0.186 0.000 2.628 302 V HA 0.635 nan 4.120 nan 0.000 0.306 302 V C -0.898 175.177 176.094 -0.032 0.000 1.045 302 V CA -1.188 61.102 62.300 -0.015 0.000 0.905 302 V CB 3.296 35.162 31.823 0.073 0.000 0.997 302 V HN 0.601 8.490 8.190 -0.307 0.116 0.436 303 V N 6.078 125.991 119.914 -0.002 0.000 2.447 303 V HA 0.386 nan 4.120 nan 0.000 0.292 303 V C -1.622 174.468 176.094 -0.007 0.000 1.021 303 V CA -1.100 61.193 62.300 -0.012 0.000 0.850 303 V CB 2.385 34.192 31.823 -0.027 0.000 1.005 303 V HN 0.966 9.062 8.190 0.014 0.102 0.426 304 D N 8.115 128.524 120.400 0.016 0.000 2.232 304 D HA 0.632 nan 4.640 nan 0.000 0.242 304 D C -1.347 174.967 176.300 0.023 0.000 1.093 304 D CA -0.627 53.382 54.000 0.015 0.000 0.845 304 D CB 1.900 42.728 40.800 0.046 0.000 1.124 304 D HN 0.681 8.955 8.370 0.024 0.110 0.467 305 I N 3.267 123.846 120.570 0.015 0.000 2.382 305 I HA 0.192 nan 4.170 nan 0.000 0.286 305 I C -1.875 174.290 176.117 0.080 0.000 1.002 305 I CA -1.402 59.944 61.300 0.076 0.000 1.135 305 I CB 2.228 40.263 38.000 0.058 0.000 1.288 305 I HN 0.216 8.414 8.210 -0.020 0.000 0.448 306 N N 7.574 126.327 118.700 0.088 0.000 2.406 306 N HA 0.177 nan 4.740 nan 0.000 0.251 306 N C 0.332 175.849 175.510 0.011 0.000 1.069 306 N CA -0.927 52.128 53.050 0.007 0.000 0.947 306 N CB 1.306 39.769 38.487 -0.041 0.000 1.111 306 N HN 0.306 8.756 8.380 0.117 0.000 0.497 307 M N 4.171 123.769 119.600 -0.004 0.000 2.374 307 M HA -0.273 nan 4.480 nan 0.000 0.264 307 M C 0.695 176.848 176.300 -0.245 0.000 1.067 307 M CA 1.751 57.055 55.300 0.007 0.000 1.103 307 M CB -0.643 31.973 32.600 0.026 0.000 1.402 307 M HN 0.583 8.854 8.290 -0.031 0.000 0.444 308 E N -2.901 117.132 120.200 -0.279 0.000 2.072 308 E HA -0.174 nan 4.350 nan 0.000 0.190 308 E C 1.044 177.290 176.600 -0.590 0.000 0.982 308 E CA 1.690 57.870 56.400 -0.366 0.000 0.803 308 E CB 0.468 30.024 29.700 -0.240 0.000 0.755 308 E HN -0.326 7.998 8.360 -0.203 -0.085 0.453 309 D N -4.559 115.507 120.400 -0.557 0.000 2.503 309 D HA 0.069 nan 4.640 nan 0.000 0.218 309 D C -0.070 175.868 176.300 -0.604 0.000 1.183 309 D CA -0.608 53.025 54.000 -0.611 0.000 0.827 309 D CB 0.122 40.745 40.800 -0.296 0.000 1.034 309 D HN -0.077 8.421 8.370 -0.401 -0.369 0.510 310 Y N -5.259 114.786 120.300 -0.425 0.000 4.798 310 Y HA -0.464 nan 4.550 nan 0.000 0.237 310 Y C -0.669 175.178 175.900 -0.088 0.000 1.017 310 Y CA 0.656 58.466 58.100 -0.482 0.000 2.010 310 Y CB -2.984 34.890 38.460 -0.977 0.000 1.582 310 Y HN -0.031 7.878 8.280 -0.619 0.000 0.621 311 S N -0.133 115.592 115.700 0.042 0.000 2.565 311 S HA 0.131 nan 4.470 nan 0.000 0.276 311 S C -0.959 173.700 174.600 0.099 0.000 1.326 311 S CA 0.172 58.411 58.200 0.067 0.000 1.045 311 S CB 0.757 63.965 63.200 0.012 0.000 0.918 311 S HN -0.150 8.387 8.310 -0.055 -0.260 0.505 312 I N 1.978 122.606 120.570 0.097 0.000 2.750 312 I HA 0.596 nan 4.170 nan 0.000 0.308 312 I C -0.564 175.585 176.117 0.053 0.000 1.016 312 I CA -1.670 59.680 61.300 0.083 0.000 1.098 312 I CB 2.277 40.328 38.000 0.084 0.000 1.279 312 I HN 0.064 8.328 8.210 0.090 0.000 0.454 313 D N 2.331 122.757 120.400 0.043 0.000 2.655 313 D HA 0.253 nan 4.640 nan 0.000 0.229 313 D C -2.326 173.990 176.300 0.027 0.000 1.229 313 D CA -0.852 53.169 54.000 0.036 0.000 0.807 313 D CB 3.096 43.919 40.800 0.038 0.000 1.514 313 D HN 0.151 8.546 8.370 0.042 0.000 0.444 314 S N 0.743 116.455 115.700 0.019 0.000 2.550 314 S HA 0.766 nan 4.470 nan 0.000 0.270 314 S C -1.595 172.999 174.600 -0.011 0.000 1.145 314 S CA -0.803 57.392 58.200 -0.008 0.000 0.852 314 S CB 3.210 66.394 63.200 -0.026 0.000 1.119 314 S HN 0.059 8.384 8.310 0.026 0.000 0.465 315 S N -0.740 114.924 115.700 -0.061 0.000 2.873 315 S HA 0.755 nan 4.470 nan 0.000 0.303 315 S C -1.995 172.500 174.600 -0.176 0.000 1.222 315 S CA -0.615 57.575 58.200 -0.015 0.000 0.923 315 S CB 2.189 65.380 63.200 -0.014 0.000 1.286 315 S HN 0.299 8.547 8.310 -0.105 0.000 0.571 316 Y N -1.817 118.447 120.300 -0.060 0.000 2.536 316 Y HA 0.534 nan 4.550 nan 0.000 0.347 316 Y C -0.378 175.454 175.900 -0.113 0.000 1.000 316 Y CA -0.241 57.826 58.100 -0.055 0.000 1.051 316 Y CB 3.455 41.883 38.460 -0.053 0.000 1.259 316 Y HN -0.472 7.901 8.280 0.155 0.000 0.468 317 V N -1.783 118.152 119.914 0.036 0.000 2.655 317 V HA 0.145 nan 4.120 nan 0.000 0.300 317 V C 0.178 176.220 176.094 -0.086 0.000 1.044 317 V CA -0.799 61.461 62.300 -0.066 0.000 1.095 317 V CB 0.377 32.225 31.823 0.041 0.000 0.952 317 V HN 0.555 8.791 8.190 0.077 0.000 0.485 318 c N 5.692 124.171 118.600 -0.201 0.000 2.413 318 c HA -0.292 nan 4.570 nan 0.000 0.277 318 c C 1.040 175.081 174.090 -0.081 0.000 1.265 318 c CA 2.867 59.105 56.329 -0.152 0.000 1.752 318 c CB -1.177 41.206 42.510 -0.212 0.000 1.998 318 c HN 1.080 9.088 8.230 -0.371 0.000 0.489 319 S N -0.371 115.298 115.700 -0.052 0.000 2.810 319 S HA -0.420 nan 4.470 nan 0.000 0.329 319 S C 1.061 175.646 174.600 -0.025 0.000 1.231 319 S CA 1.149 59.336 58.200 -0.022 0.000 1.042 319 S CB 0.393 63.599 63.200 0.009 0.000 0.756 319 S HN -0.518 7.760 8.310 -0.053 0.000 0.504 320 G N 5.344 114.125 108.800 -0.032 0.000 2.744 320 G HA2 -0.013 nan 3.960 nan 0.000 0.211 320 G HA3 -0.013 nan 3.960 nan 0.000 0.211 320 G C 0.228 175.111 174.900 -0.029 0.000 1.143 320 G CA 0.605 45.682 45.100 -0.038 0.000 0.788 320 G HN 0.799 9.017 8.290 -0.034 0.052 0.534 321 L N -0.948 120.270 121.223 -0.009 0.000 2.072 321 L HA -0.176 nan 4.340 nan 0.000 0.205 321 L C -0.538 176.347 176.870 0.025 0.000 1.079 321 L CA 2.082 56.931 54.840 0.015 0.000 0.752 321 L CB 0.615 42.721 42.059 0.078 0.000 0.906 321 L HN -0.492 7.679 8.230 -0.001 0.059 0.436 322 V N -4.037 115.885 119.914 0.012 0.000 3.456 322 V HA -0.286 nan 4.120 nan 0.000 0.495 322 V C 0.429 176.500 176.094 -0.039 0.000 0.682 322 V CA 0.488 62.781 62.300 -0.012 0.000 2.042 322 V CB -0.331 31.483 31.823 -0.015 0.000 2.479 322 V HN -0.882 7.316 8.190 0.014 0.000 0.506 323 G N 5.099 113.854 108.800 -0.076 0.000 3.393 323 G HA2 0.082 nan 3.960 nan 0.000 0.255 323 G HA3 0.082 nan 3.960 nan 0.000 0.255 323 G C -1.410 173.425 174.900 -0.108 0.000 1.097 323 G CA -0.599 44.416 45.100 -0.141 0.000 0.780 323 G HN 0.338 8.595 8.290 -0.056 0.000 0.540 324 D N 0.437 120.808 120.400 -0.048 0.000 2.388 324 D HA 0.282 nan 4.640 nan 0.000 0.254 324 D C -1.944 174.348 176.300 -0.013 0.000 1.111 324 D CA -0.888 53.100 54.000 -0.020 0.000 0.993 324 D CB 3.067 43.877 40.800 0.016 0.000 1.118 324 D HN -0.726 7.625 8.370 -0.032 0.000 0.502 325 T N 1.005 115.566 114.554 0.011 0.000 2.937 325 T HA 0.365 nan 4.350 nan 0.000 0.297 325 T C -2.230 172.495 174.700 0.042 0.000 0.991 325 T CA -2.636 59.477 62.100 0.022 0.000 0.990 325 T CB 1.887 70.775 68.868 0.033 0.000 0.991 325 T HN -0.157 8.097 8.240 0.023 0.000 0.440 326 P HA 0.458 nan 4.420 nan 0.000 0.274 326 P C -1.710 175.596 177.300 0.010 0.000 1.237 326 P CA -0.524 62.589 63.100 0.021 0.000 0.793 326 P CB 0.894 32.606 31.700 0.022 0.000 0.977 327 R N -2.019 118.481 120.500 -0.000 0.000 2.795 327 R HA 0.357 nan 4.340 nan 0.000 0.268 327 R C -0.566 175.725 176.300 -0.014 0.000 1.041 327 R CA -1.515 54.580 56.100 -0.009 0.000 0.927 327 R CB 1.919 32.210 30.300 -0.014 0.000 1.235 327 R HN 0.008 8.279 8.270 0.000 0.000 0.463 328 N N 0.091 118.778 118.700 -0.021 0.000 2.093 328 N HA -0.162 nan 4.740 nan 0.000 0.191 328 N C -0.920 174.576 175.510 -0.023 0.000 1.062 328 N CA 1.929 54.965 53.050 -0.024 0.000 0.854 328 N CB 0.682 39.150 38.487 -0.031 0.000 1.043 328 N HN 0.410 8.776 8.380 -0.024 0.000 0.438 329 D N -7.566 112.818 120.400 -0.027 0.000 2.712 329 D HA -0.003 nan 4.640 nan 0.000 0.231 329 D C -1.844 174.434 176.300 -0.036 0.000 1.105 329 D CA -0.085 53.898 54.000 -0.029 0.000 0.762 329 D CB 2.682 43.465 40.800 -0.028 0.000 2.410 329 D HN -0.622 7.730 8.370 -0.030 0.000 0.467 330 D N 2.413 122.787 120.400 -0.042 0.000 2.271 330 D HA -0.292 nan 4.640 nan 0.000 0.207 330 D C 1.223 177.491 176.300 -0.055 0.000 0.983 330 D CA 2.666 56.633 54.000 -0.055 0.000 0.878 330 D CB 0.053 40.807 40.800 -0.077 0.000 0.920 330 D HN 0.250 8.596 8.370 -0.041 0.000 0.479 331 R N -1.334 119.138 120.500 -0.047 0.000 2.062 331 R HA -0.151 nan 4.340 nan 0.000 0.226 331 R C 1.107 177.382 176.300 -0.041 0.000 1.125 331 R CA 2.714 58.788 56.100 -0.044 0.000 0.966 331 R CB 0.443 30.720 30.300 -0.038 0.000 0.861 331 R HN -0.578 7.858 8.270 -0.044 -0.192 0.433 332 S N -2.155 113.522 115.700 -0.039 0.000 2.537 332 S HA 0.092 nan 4.470 nan 0.000 0.246 332 S C -0.778 173.797 174.600 -0.041 0.000 1.036 332 S CA -0.691 57.486 58.200 -0.039 0.000 1.041 332 S CB -0.064 63.115 63.200 -0.035 0.000 0.799 332 S HN -0.601 7.615 8.310 -0.037 0.073 0.456 333 S N 1.697 117.371 115.700 -0.043 0.000 2.501 333 S HA 0.231 nan 4.470 nan 0.000 0.301 333 S C -1.920 172.650 174.600 -0.049 0.000 1.096 333 S CA -1.212 56.962 58.200 -0.044 0.000 1.063 333 S CB 2.238 65.415 63.200 -0.038 0.000 1.042 333 S HN -0.659 7.562 8.310 -0.044 0.062 0.494 334 N N 4.675 123.342 118.700 -0.056 0.000 2.647 334 N HA 0.344 nan 4.740 nan 0.000 0.266 334 N C -2.384 173.084 175.510 -0.070 0.000 1.373 334 N CA 0.042 53.056 53.050 -0.062 0.000 0.807 334 N CB 4.255 42.702 38.487 -0.067 0.000 1.513 334 N HN 0.237 8.973 8.380 -0.058 -0.391 0.505 335 S N -1.268 114.388 115.700 -0.072 0.000 2.563 335 S HA 0.228 nan 4.470 nan 0.000 0.279 335 S C -1.585 172.966 174.600 -0.082 0.000 1.155 335 S CA -0.996 57.156 58.200 -0.081 0.000 0.928 335 S CB 1.795 64.964 63.200 -0.051 0.000 1.107 335 S HN 0.165 8.434 8.310 -0.069 0.000 0.462 336 N N 4.672 123.314 118.700 -0.098 0.000 2.203 336 N HA 0.123 nan 4.740 nan 0.000 0.207 336 N C 0.182 175.645 175.510 -0.078 0.000 1.130 336 N CA -0.831 52.167 53.050 -0.086 0.000 0.861 336 N CB -0.031 38.402 38.487 -0.090 0.000 1.005 336 N HN 0.608 8.913 8.380 -0.125 0.000 0.507 337 c N -4.343 114.218 118.600 -0.066 0.000 5.538 337 c HA -0.354 nan 4.570 nan 0.000 0.254 337 c C 1.051 175.148 174.090 0.012 0.000 1.712 337 c CA 1.645 57.941 56.329 -0.055 0.000 1.530 337 c CB -2.445 39.995 42.510 -0.116 0.000 2.410 337 c HN -0.279 7.850 8.230 -0.063 0.064 0.564 338 R N -1.339 119.159 120.500 -0.003 0.000 2.276 338 R HA 0.155 nan 4.340 nan 0.000 0.195 338 R C -0.716 175.601 176.300 0.029 0.000 0.908 338 R CA 1.302 57.424 56.100 0.037 0.000 1.083 338 R CB 1.985 32.277 30.300 -0.013 0.000 1.182 338 R HN 0.148 8.622 8.270 -0.057 -0.238 0.608 339 D N -1.726 118.542 120.400 -0.219 0.000 2.523 339 D HA 0.540 nan 4.640 nan 0.000 0.236 339 D C -2.572 173.144 176.300 -0.973 0.000 1.094 339 D CA -2.200 51.530 54.000 -0.451 0.000 0.942 339 D CB 1.371 42.019 40.800 -0.253 0.000 1.447 339 D HN -0.072 8.530 8.370 -0.220 -0.364 0.479 340 P HA -0.079 nan 4.420 nan 0.000 0.265 340 P C -1.083 175.934 177.300 -0.472 0.000 1.193 340 P CA 0.209 62.808 63.100 -0.834 0.000 0.765 340 P CB 0.371 31.816 31.700 -0.424 0.000 0.823 341 N N 3.319 121.814 118.700 -0.341 0.000 2.494 341 N HA -0.282 nan 4.740 nan 0.000 0.182 341 N C 0.768 176.172 175.510 -0.177 0.000 1.076 341 N CA 0.329 53.247 53.050 -0.221 0.000 0.908 341 N CB 0.161 38.555 38.487 -0.154 0.000 0.967 341 N HN -0.015 8.486 8.380 -0.314 -0.310 0.449 342 N N -2.169 116.419 118.700 -0.187 0.000 2.753 342 N HA -0.310 nan 4.740 nan 0.000 0.251 342 N C -1.440 174.004 175.510 -0.110 0.000 1.097 342 N CA 1.983 54.937 53.050 -0.161 0.000 0.786 342 N CB -0.931 37.457 38.487 -0.165 0.000 1.137 342 N HN -0.044 8.170 8.380 -0.210 0.041 0.566 343 E N 0.294 120.439 120.200 -0.092 0.000 2.028 343 E HA 0.156 nan 4.350 nan 0.000 0.266 343 E C -0.758 175.814 176.600 -0.045 0.000 0.962 343 E CA -1.143 55.219 56.400 -0.064 0.000 0.784 343 E CB 0.065 29.729 29.700 -0.059 0.000 1.114 343 E HN -0.033 8.629 8.360 -0.101 -0.362 0.414 344 R N 2.860 123.338 120.500 -0.037 0.000 3.416 344 R HA -0.313 nan 4.340 nan 0.000 0.263 344 R C -0.072 176.221 176.300 -0.011 0.000 1.053 344 R CA 0.728 56.817 56.100 -0.018 0.000 0.705 344 R CB -2.438 27.856 30.300 -0.011 0.000 1.124 344 R HN 0.596 8.840 8.270 -0.043 0.000 0.444 345 G N -1.861 106.923 108.800 -0.027 0.000 2.422 345 G HA2 -0.231 nan 3.960 nan 0.000 0.218 345 G HA3 -0.231 nan 3.960 nan 0.000 0.218 345 G C -0.344 174.575 174.900 0.032 0.000 1.146 345 G CA 0.423 45.513 45.100 -0.017 0.000 0.769 345 G HN 0.345 8.604 8.290 -0.048 0.002 0.547 346 T N 1.639 116.217 114.554 0.040 0.000 2.928 346 T HA -0.092 nan 4.350 nan 0.000 0.305 346 T C -0.856 173.888 174.700 0.073 0.000 1.035 346 T CA 0.789 62.933 62.100 0.074 0.000 1.145 346 T CB -0.190 68.719 68.868 0.070 0.000 0.963 346 T HN -0.366 7.887 8.240 0.021 0.000 0.545 347 Q N 2.920 122.775 119.800 0.092 0.000 0.444 347 Q HA -0.379 nan 4.340 nan 0.000 0.284 347 Q C -1.485 174.576 176.000 0.101 0.000 1.086 347 Q CA 0.558 56.419 55.803 0.097 0.000 0.320 347 Q CB 0.454 29.240 28.738 0.080 0.000 5.501 347 Q HN 0.401 8.645 8.270 0.103 0.088 0.312 348 G N -5.681 103.178 108.800 0.100 0.000 2.344 348 G HA2 0.164 nan 3.960 nan 0.000 0.282 348 G HA3 0.164 nan 3.960 nan 0.000 0.282 348 G C -3.685 171.268 174.900 0.088 0.000 1.281 348 G CA -0.240 44.911 45.100 0.084 0.000 0.877 348 G HN -0.264 8.090 8.290 0.107 0.000 0.494 349 V N -1.635 118.302 119.914 0.039 0.000 3.077 349 V HA 0.298 nan 4.120 nan 0.000 0.299 349 V C -2.037 173.947 176.094 -0.183 0.000 1.276 349 V CA -1.911 60.384 62.300 -0.008 0.000 0.993 349 V CB 4.177 36.057 31.823 0.095 0.000 1.076 349 V HN -0.169 8.212 8.190 0.020 -0.179 0.434 350 K N 6.171 126.217 120.400 -0.590 0.000 2.448 350 K HA 0.025 nan 4.320 nan 0.000 0.278 350 K C -1.208 175.281 176.600 -0.186 0.000 1.009 350 K CA 1.317 57.310 56.287 -0.490 0.000 0.995 350 K CB 1.083 33.056 32.500 -0.879 0.000 0.917 350 K HN 0.398 7.962 8.250 -1.142 0.000 0.481 351 G N 3.375 112.148 108.800 -0.045 0.000 2.749 351 G HA2 0.499 nan 3.960 nan 0.000 0.300 351 G HA3 0.499 nan 3.960 nan 0.000 0.300 351 G C -2.506 172.466 174.900 0.120 0.000 1.352 351 G CA -0.730 44.386 45.100 0.027 0.000 0.789 351 G HN -0.124 8.145 8.290 -0.036 0.000 0.509 352 W N -4.337 116.944 121.300 -0.032 0.000 2.961 352 W HA 0.587 nan 4.660 nan 0.000 0.368 352 W C -2.996 173.524 176.519 0.003 0.000 1.213 352 W CA -1.923 55.429 57.345 0.012 0.000 1.173 352 W CB 2.111 31.578 29.460 0.011 0.000 1.487 352 W HN 0.177 8.027 8.180 -0.550 0.000 0.585 353 A N -1.925 121.070 122.820 0.293 0.000 2.549 353 A HA 0.586 nan 4.320 nan 0.000 0.291 353 A C -2.602 175.263 177.584 0.468 0.000 1.034 353 A CA 0.306 52.414 52.037 0.118 0.000 0.655 353 A CB 2.500 21.482 19.000 -0.031 0.000 1.299 353 A HN -0.038 8.480 8.150 0.613 0.000 0.427 354 F N -4.558 115.522 119.950 0.216 0.000 2.650 354 F HA 0.527 nan 4.527 nan 0.000 0.310 354 F C -2.335 173.476 175.800 0.018 0.000 1.112 354 F CA -1.259 56.741 58.000 -0.001 0.000 0.986 354 F CB 2.832 41.561 39.000 -0.451 0.000 1.285 354 F HN 0.468 8.719 8.300 -0.080 0.000 0.440 355 D N 1.227 121.614 120.400 -0.022 0.000 2.313 355 D HA 0.040 nan 4.640 nan 0.000 0.247 355 D C -1.216 175.098 176.300 0.023 0.000 1.094 355 D CA -0.501 53.334 54.000 -0.275 0.000 0.925 355 D CB 1.057 41.137 40.800 -1.201 0.000 1.188 355 D HN -0.147 8.234 8.370 0.019 0.000 0.430 356 N N 2.208 120.926 118.700 0.031 0.000 2.653 356 N HA 0.102 nan 4.740 nan 0.000 0.261 356 N C 0.054 175.611 175.510 0.079 0.000 1.216 356 N CA -0.079 53.052 53.050 0.135 0.000 0.784 356 N CB 2.198 40.851 38.487 0.277 0.000 1.327 356 N HN 0.077 8.450 8.380 -0.011 0.000 0.539 357 G N 7.312 116.145 108.800 0.055 0.000 2.574 357 G HA2 -0.508 nan 3.960 nan 0.000 0.301 357 G HA3 -0.508 nan 3.960 nan 0.000 0.301 357 G C -1.284 173.702 174.900 0.143 0.000 1.166 357 G CA 1.592 46.743 45.100 0.085 0.000 0.971 357 G HN 0.644 8.952 8.290 0.030 0.000 0.542 358 N N 5.158 123.948 118.700 0.150 0.000 2.254 358 N HA 0.217 nan 4.740 nan 0.000 0.190 358 N C -0.958 174.673 175.510 0.201 0.000 1.107 358 N CA 0.451 53.629 53.050 0.213 0.000 0.869 358 N CB 0.847 39.411 38.487 0.129 0.000 0.983 358 N HN 0.092 8.536 8.380 0.107 0.000 0.487 359 D N -0.353 120.118 120.400 0.117 0.000 2.466 359 D HA 0.553 nan 4.640 nan 0.000 0.262 359 D C -1.944 174.382 176.300 0.043 0.000 1.177 359 D CA -0.061 53.957 54.000 0.030 0.000 1.035 359 D CB 2.013 42.756 40.800 -0.096 0.000 1.105 359 D HN -0.123 8.157 8.370 0.097 0.148 0.551 360 L N -1.144 120.020 121.223 -0.097 0.000 2.464 360 L HA 0.535 nan 4.340 nan 0.000 0.266 360 L C -2.411 174.239 176.870 -0.367 0.000 0.965 360 L CA 0.041 54.819 54.840 -0.104 0.000 0.833 360 L CB 4.240 46.342 42.059 0.072 0.000 1.296 360 L HN -0.393 7.724 8.230 -0.190 0.000 0.405 361 W N 6.075 127.120 121.300 -0.425 0.000 2.391 361 W HA 0.608 nan 4.660 nan 0.000 0.311 361 W C -1.278 174.905 176.519 -0.561 0.000 1.087 361 W CA -0.781 56.267 57.345 -0.495 0.000 1.209 361 W CB 1.913 30.825 29.460 -0.914 0.000 1.273 361 W HN 0.630 8.596 8.180 -0.357 0.000 0.482 362 M N -0.361 118.991 119.600 -0.413 0.000 2.664 362 M HA 0.909 nan 4.480 nan 0.000 0.279 362 M C -2.191 173.372 176.300 -1.228 0.000 1.275 362 M CA -1.246 53.498 55.300 -0.928 0.000 0.829 362 M CB 4.514 36.687 32.600 -0.712 0.000 1.727 362 M HN 0.505 8.605 8.290 -0.318 0.000 0.459 363 G N -2.832 105.039 108.800 -1.548 0.000 2.660 363 G HA2 0.917 nan 3.960 nan 0.000 0.294 363 G HA3 0.917 nan 3.960 nan 0.000 0.294 363 G C -2.359 171.916 174.900 -1.043 0.000 1.369 363 G CA -0.472 43.919 45.100 -1.182 0.000 0.912 363 G HN -0.336 6.912 8.290 -1.737 0.000 0.479 364 R N -2.779 117.007 120.500 -1.190 0.000 2.774 364 R HA 0.548 nan 4.340 nan 0.000 0.279 364 R C -1.015 174.745 176.300 -0.899 0.000 1.022 364 R CA -1.095 54.503 56.100 -0.836 0.000 0.855 364 R CB 2.242 32.269 30.300 -0.454 0.000 1.279 364 R HN 0.455 7.873 8.270 -1.420 0.000 0.485 365 T N -4.807 109.513 114.554 -0.391 0.000 2.855 365 T HA 0.156 nan 4.350 nan 0.000 0.314 365 T C 1.097 175.718 174.700 -0.132 0.000 1.077 365 T CA -0.097 61.911 62.100 -0.153 0.000 1.095 365 T CB 0.303 69.180 68.868 0.015 0.000 0.987 365 T HN 0.444 8.544 8.240 -0.233 0.000 0.546 366 I N 1.401 121.945 120.570 -0.045 0.000 2.500 366 I HA -0.169 nan 4.170 nan 0.000 0.252 366 I C 0.636 176.751 176.117 -0.003 0.000 1.142 366 I CA 2.556 63.847 61.300 -0.016 0.000 1.451 366 I CB 0.309 38.322 38.000 0.022 0.000 1.093 366 I HN 0.003 8.103 8.210 0.006 0.114 0.430 367 S N -0.183 115.523 115.700 0.010 0.000 2.548 367 S HA -0.011 nan 4.470 nan 0.000 0.277 367 S C 0.303 174.906 174.600 0.005 0.000 1.315 367 S CA -0.745 57.463 58.200 0.013 0.000 1.050 367 S CB 0.635 63.851 63.200 0.027 0.000 0.918 367 S HN -0.467 7.856 8.310 0.021 0.000 0.497 368 K N 5.135 125.536 120.400 0.002 0.000 2.400 368 K HA -0.022 nan 4.320 nan 0.000 0.194 368 K C 0.644 177.248 176.600 0.007 0.000 1.033 368 K CA 1.975 58.261 56.287 -0.001 0.000 1.021 368 K CB -0.015 32.481 32.500 -0.007 0.000 0.808 368 K HN 0.618 8.869 8.250 0.002 0.000 0.505 369 D N -0.857 119.550 120.400 0.013 0.000 2.525 369 D HA 0.052 nan 4.640 nan 0.000 0.248 369 D C 0.032 176.349 176.300 0.028 0.000 1.000 369 D CA 2.212 56.223 54.000 0.017 0.000 0.923 369 D CB 1.871 42.679 40.800 0.013 0.000 1.101 369 D HN -0.681 7.645 8.370 0.013 0.052 0.493 370 L N -1.762 119.481 121.223 0.033 0.000 2.286 370 L HA 0.303 nan 4.340 nan 0.000 0.265 370 L C -0.528 176.381 176.870 0.064 0.000 1.012 370 L CA -1.962 52.906 54.840 0.046 0.000 0.818 370 L CB 2.370 44.453 42.059 0.039 0.000 1.337 370 L HN -0.630 7.617 8.230 0.029 0.000 0.438 371 R N 2.427 122.979 120.500 0.086 0.000 3.710 371 R HA 0.039 nan 4.340 nan 0.000 0.201 371 R C -1.194 175.179 176.300 0.122 0.000 1.641 371 R CA 0.027 56.200 56.100 0.122 0.000 1.390 371 R CB -1.122 29.268 30.300 0.150 0.000 1.341 371 R HN 0.601 8.918 8.270 0.080 0.000 0.728 372 S N 1.356 117.118 115.700 0.104 0.000 2.538 372 S HA 0.617 nan 4.470 nan 0.000 0.288 372 S C -1.024 173.643 174.600 0.111 0.000 1.108 372 S CA -0.939 57.323 58.200 0.103 0.000 0.971 372 S CB 3.049 66.291 63.200 0.070 0.000 1.041 372 S HN -0.167 8.153 8.310 0.087 0.042 0.483 373 G N 4.443 113.326 108.800 0.139 0.000 2.880 373 G HA2 -0.364 nan 3.960 nan 0.000 0.617 373 G HA3 -0.364 nan 3.960 nan 0.000 0.617 373 G C -3.372 171.658 174.900 0.217 0.000 1.493 373 G CA 0.146 45.338 45.100 0.153 0.000 0.916 373 G HN 0.776 9.151 8.290 0.141 0.000 0.553 374 Y N 0.254 120.602 120.300 0.081 0.000 2.480 374 Y HA 0.480 nan 4.550 nan 0.000 0.329 374 Y C -2.795 173.136 175.900 0.052 0.000 1.127 374 Y CA -0.645 57.490 58.100 0.058 0.000 1.037 374 Y CB 4.096 42.608 38.460 0.086 0.000 1.320 374 Y HN 0.285 8.693 8.280 0.213 0.000 0.446 375 E N 3.027 123.057 120.200 -0.284 0.000 2.408 375 E HA 0.814 nan 4.350 nan 0.000 0.275 375 E C -2.614 173.838 176.600 -0.246 0.000 0.935 375 E CA -2.136 54.221 56.400 -0.071 0.000 0.775 375 E CB 4.877 34.599 29.700 0.036 0.000 1.277 375 E HN 0.705 8.541 8.360 -0.873 0.000 0.455 376 T N -5.104 109.423 114.554 -0.044 0.000 2.906 376 T HA 1.017 nan 4.350 nan 0.000 0.295 376 T C -1.883 172.894 174.700 0.128 0.000 1.061 376 T CA -2.062 59.946 62.100 -0.154 0.000 1.000 376 T CB 2.792 71.697 68.868 0.062 0.000 1.103 376 T HN 0.613 8.933 8.240 0.133 0.000 0.486 377 F N -3.997 116.063 119.950 0.183 0.000 2.807 377 F HA 0.797 nan 4.527 nan 0.000 0.316 377 F C -2.909 172.826 175.800 -0.109 0.000 1.162 377 F CA -1.249 56.828 58.000 0.129 0.000 0.910 377 F CB 1.915 40.913 39.000 -0.003 0.000 1.314 377 F HN 0.404 8.419 8.300 -0.475 0.000 0.454 378 K N -0.914 119.406 120.400 -0.133 0.000 2.164 378 K HA 0.702 nan 4.320 nan 0.000 0.258 378 K C -1.770 174.717 176.600 -0.188 0.000 0.951 378 K CA -2.090 53.790 56.287 -0.678 0.000 0.844 378 K CB 3.180 34.935 32.500 -1.241 0.000 1.099 378 K HN 0.616 8.878 8.250 0.020 0.000 0.435 379 V N 6.116 125.928 119.914 -0.172 0.000 2.334 379 V HA 0.527 nan 4.120 nan 0.000 0.281 379 V C -0.029 176.001 176.094 -0.107 0.000 1.016 379 V CA -1.545 60.716 62.300 -0.066 0.000 0.832 379 V CB 1.113 32.948 31.823 0.020 0.000 0.999 379 V HN 0.601 8.616 8.190 -0.291 0.000 0.439 380 I N 7.657 128.168 120.570 -0.098 0.000 2.671 380 I HA -0.201 nan 4.170 nan 0.000 0.285 380 I C 1.262 177.357 176.117 -0.037 0.000 1.148 380 I CA -1.232 60.025 61.300 -0.073 0.000 1.386 380 I CB -2.708 35.256 38.000 -0.060 0.000 1.406 380 I HN 0.955 9.105 8.210 -0.099 0.000 0.540 381 G N 7.491 116.285 108.800 -0.010 0.000 2.159 381 G HA2 -0.385 nan 3.960 nan 0.000 0.256 381 G HA3 -0.385 nan 3.960 nan 0.000 0.256 381 G C 0.753 175.668 174.900 0.025 0.000 0.977 381 G CA 0.615 45.726 45.100 0.018 0.000 0.652 381 G HN 0.793 9.380 8.290 -0.012 -0.303 0.531 382 G N 0.041 108.858 108.800 0.027 0.000 2.501 382 G HA2 -0.271 nan 3.960 nan 0.000 0.220 382 G HA3 -0.271 nan 3.960 nan 0.000 0.220 382 G C -0.273 174.678 174.900 0.086 0.000 1.114 382 G CA 1.518 46.640 45.100 0.036 0.000 0.757 382 G HN 0.055 8.192 8.290 0.004 0.155 0.559 383 W N 0.449 121.737 121.300 -0.020 0.000 2.539 383 W HA 0.015 nan 4.660 nan 0.000 0.299 383 W C 0.920 177.449 176.519 0.016 0.000 1.165 383 W CA 2.411 59.762 57.345 0.010 0.000 1.400 383 W CB 1.216 30.694 29.460 0.031 0.000 1.123 383 W HN -0.127 8.146 8.180 0.241 0.051 0.533 384 S N -2.963 112.718 115.700 -0.032 0.000 2.458 384 S HA -0.035 nan 4.470 nan 0.000 0.223 384 S C 0.436 174.982 174.600 -0.090 0.000 1.019 384 S CA 2.453 60.603 58.200 -0.083 0.000 0.937 384 S CB 1.007 64.240 63.200 0.056 0.000 0.788 384 S HN -0.769 7.629 8.310 0.146 0.000 0.511 385 T N 3.452 117.969 114.554 -0.063 0.000 2.779 385 T HA 0.558 nan 4.350 nan 0.000 0.280 385 T C -2.931 171.725 174.700 -0.072 0.000 0.987 385 T CA -2.493 59.572 62.100 -0.059 0.000 0.966 385 T CB 1.363 70.211 68.868 -0.033 0.000 0.933 385 T HN -0.165 8.051 8.240 -0.040 0.000 0.442 386 P HA -0.197 nan 4.420 nan 0.000 0.262 386 P C -0.615 176.648 177.300 -0.061 0.000 1.182 386 P CA 0.736 63.791 63.100 -0.074 0.000 0.761 386 P CB -0.192 31.468 31.700 -0.067 0.000 0.795 387 N N 2.285 120.948 118.700 -0.061 0.000 2.713 387 N HA -0.357 nan 4.740 nan 0.000 0.251 387 N C -0.175 175.305 175.510 -0.049 0.000 1.117 387 N CA 0.868 53.885 53.050 -0.054 0.000 0.770 387 N CB -0.050 38.405 38.487 -0.054 0.000 1.137 387 N HN 0.139 8.479 8.380 -0.067 0.000 0.566 388 S N -1.458 114.213 115.700 -0.047 0.000 2.549 388 S HA -0.078 nan 4.470 nan 0.000 0.286 388 S C -0.354 174.217 174.600 -0.049 0.000 1.314 388 S CA 1.842 60.015 58.200 -0.044 0.000 1.062 388 S CB 1.045 64.222 63.200 -0.038 0.000 0.865 388 S HN -0.613 7.619 8.310 -0.050 0.048 0.498 389 K N 3.220 123.584 120.400 -0.060 0.000 2.501 389 K HA 0.198 nan 4.320 nan 0.000 0.204 389 K C -0.787 175.748 176.600 -0.107 0.000 1.067 389 K CA -0.753 55.485 56.287 -0.082 0.000 1.060 389 K CB 1.000 33.450 32.500 -0.083 0.000 0.873 389 K HN 0.298 8.513 8.250 -0.058 0.000 0.540 390 S N 2.188 117.834 115.700 -0.089 0.000 2.423 390 S HA -0.055 nan 4.470 nan 0.000 0.302 390 S C -1.070 173.456 174.600 -0.123 0.000 1.143 390 S CA -0.056 58.086 58.200 -0.097 0.000 1.080 390 S CB -0.271 62.887 63.200 -0.070 0.000 1.081 390 S HN 0.047 8.314 8.310 -0.071 0.000 0.522 391 Q N 6.429 126.122 119.800 -0.179 0.000 2.230 391 Q HA 0.694 nan 4.340 nan 0.000 0.248 391 Q C -1.357 174.554 176.000 -0.147 0.000 0.915 391 Q CA -0.588 55.072 55.803 -0.238 0.000 0.900 391 Q CB 1.973 30.425 28.738 -0.477 0.000 1.229 391 Q HN 0.049 8.208 8.270 -0.185 0.000 0.439 392 I N 3.317 123.829 120.570 -0.096 0.000 2.947 392 I HA 0.280 nan 4.170 nan 0.000 0.301 392 I C -2.097 174.055 176.117 0.058 0.000 1.453 392 I CA -0.257 61.028 61.300 -0.026 0.000 0.984 392 I CB 3.387 41.368 38.000 -0.032 0.000 1.333 392 I HN 0.590 8.749 8.210 -0.085 0.000 0.475 393 N N 0.647 119.435 118.700 0.147 0.000 2.758 393 N HA -0.330 nan 4.740 nan 0.000 0.248 393 N C -1.513 174.239 175.510 0.404 0.000 1.076 393 N CA 0.687 53.922 53.050 0.308 0.000 0.696 393 N CB -1.239 37.498 38.487 0.418 0.000 0.979 393 N HN 0.328 8.778 8.380 0.116 0.000 0.550 394 R N -1.085 119.604 120.500 0.314 0.000 2.594 394 R HA 0.038 nan 4.340 nan 0.000 0.272 394 R C -1.213 175.300 176.300 0.354 0.000 1.074 394 R CA 0.242 56.555 56.100 0.355 0.000 1.105 394 R CB 1.089 31.527 30.300 0.230 0.000 1.008 394 R HN -0.229 8.172 8.270 0.218 0.000 0.472 395 Q N 3.457 123.466 119.800 0.349 0.000 2.315 395 Q HA 0.179 nan 4.340 nan 0.000 0.273 395 Q C -2.059 174.100 176.000 0.265 0.000 1.053 395 Q CA -0.863 55.133 55.803 0.322 0.000 0.817 395 Q CB 4.764 33.699 28.738 0.329 0.000 1.326 395 Q HN 0.481 8.965 8.270 0.358 0.000 0.423 396 V N 3.131 123.198 119.914 0.254 0.000 2.432 396 V HA 0.379 nan 4.120 nan 0.000 0.275 396 V C -0.533 175.731 176.094 0.283 0.000 1.043 396 V CA 0.051 62.485 62.300 0.223 0.000 0.925 396 V CB -0.086 31.845 31.823 0.179 0.000 0.985 396 V HN 0.644 8.997 8.190 0.272 0.000 0.466 397 I N 5.627 126.357 120.570 0.267 0.000 2.947 397 I HA 0.248 nan 4.170 nan 0.000 0.263 397 I C -0.440 175.902 176.117 0.375 0.000 1.130 397 I CA 0.436 61.893 61.300 0.262 0.000 1.448 397 I CB 1.223 39.273 38.000 0.083 0.000 1.222 397 I HN 0.610 8.870 8.210 0.258 0.104 0.453 398 V N -0.318 119.780 119.914 0.307 0.000 2.483 398 V HA 0.244 nan 4.120 nan 0.000 0.297 398 V C -1.488 174.717 176.094 0.187 0.000 1.027 398 V CA -2.157 60.297 62.300 0.257 0.000 0.855 398 V CB 2.290 34.270 31.823 0.262 0.000 0.995 398 V HN -0.415 7.960 8.190 0.309 0.000 0.424 399 D N 5.932 126.411 120.400 0.131 0.000 2.400 399 D HA -0.017 nan 4.640 nan 0.000 0.238 399 D C 0.494 176.847 176.300 0.088 0.000 1.157 399 D CA 0.634 54.689 54.000 0.092 0.000 0.889 399 D CB 1.457 42.290 40.800 0.054 0.000 1.199 399 D HN 0.093 8.534 8.370 0.119 0.000 0.436 400 S N -1.974 113.768 115.700 0.070 0.000 2.500 400 S HA -0.297 nan 4.470 nan 0.000 0.239 400 S C 0.431 175.062 174.600 0.052 0.000 0.989 400 S CA 2.071 60.307 58.200 0.060 0.000 0.951 400 S CB -0.368 62.859 63.200 0.044 0.000 0.759 400 S HN 0.320 8.667 8.310 0.062 0.000 0.523 401 D N -1.095 119.334 120.400 0.047 0.000 2.339 401 D HA 0.164 nan 4.640 nan 0.000 0.217 401 D C -0.475 175.852 176.300 0.045 0.000 1.050 401 D CA 0.683 54.705 54.000 0.037 0.000 0.856 401 D CB 0.300 41.115 40.800 0.025 0.000 0.922 401 D HN -0.545 7.998 8.370 0.048 -0.144 0.518 402 N N -0.119 118.621 118.700 0.066 0.000 2.362 402 N HA 0.239 nan 4.740 nan 0.000 0.299 402 N C -1.519 174.050 175.510 0.098 0.000 1.170 402 N CA -0.588 52.509 53.050 0.079 0.000 0.825 402 N CB 3.155 41.697 38.487 0.093 0.000 1.299 402 N HN -0.227 8.125 8.380 0.075 0.074 0.502 403 R N 0.181 120.741 120.500 0.099 0.000 2.490 403 R HA 0.213 nan 4.340 nan 0.000 0.280 403 R C -0.550 175.840 176.300 0.150 0.000 1.077 403 R CA 0.642 56.809 56.100 0.113 0.000 1.065 403 R CB 0.793 31.151 30.300 0.097 0.000 1.003 403 R HN 0.430 8.754 8.270 0.090 0.000 0.470 404 S N 1.556 117.359 115.700 0.173 0.000 3.728 404 S HA 0.426 nan 4.470 nan 0.000 0.253 404 S C -1.239 173.489 174.600 0.214 0.000 1.032 404 S CA -1.580 56.747 58.200 0.212 0.000 1.323 404 S CB 2.785 66.162 63.200 0.295 0.000 1.223 404 S HN 0.272 8.679 8.310 0.160 0.000 0.728 405 G N -0.588 108.370 108.800 0.264 0.000 2.566 405 G HA2 0.011 nan 3.960 nan 0.000 0.138 405 G HA3 0.011 nan 3.960 nan 0.000 0.138 405 G C -1.832 173.323 174.900 0.424 0.000 1.133 405 G CA 0.098 45.379 45.100 0.302 0.000 1.037 405 G HN -0.183 8.283 8.290 0.293 0.000 0.491 406 Y N 1.608 122.032 120.300 0.208 0.000 2.459 406 Y HA -0.006 nan 4.550 nan 0.000 0.349 406 Y C -0.463 175.562 175.900 0.208 0.000 1.266 406 Y CA -0.322 57.917 58.100 0.232 0.000 1.483 406 Y CB 0.606 39.236 38.460 0.285 0.000 1.362 406 Y HN -0.264 8.625 8.280 0.527 -0.293 0.628 407 S N -1.434 114.418 115.700 0.253 0.000 2.547 407 S HA 0.559 nan 4.470 nan 0.000 0.270 407 S C -1.798 172.770 174.600 -0.053 0.000 1.150 407 S CA -0.924 57.258 58.200 -0.030 0.000 0.850 407 S CB 3.783 67.032 63.200 0.082 0.000 1.118 407 S HN -0.153 8.268 8.310 0.186 0.000 0.461 408 G N -1.410 107.026 108.800 -0.607 0.000 2.645 408 G HA2 0.445 nan 3.960 nan 0.000 0.292 408 G HA3 0.445 nan 3.960 nan 0.000 0.292 408 G C -3.315 171.391 174.900 -0.324 0.000 1.415 408 G CA -0.684 44.328 45.100 -0.147 0.000 0.785 408 G HN -0.257 7.277 8.290 -1.261 0.000 0.483 409 I N -1.073 119.501 120.570 0.006 0.000 2.797 409 I HA 0.949 nan 4.170 nan 0.000 0.307 409 I C -2.355 173.916 176.117 0.256 0.000 1.033 409 I CA -2.827 58.425 61.300 -0.080 0.000 1.071 409 I CB 3.156 41.105 38.000 -0.086 0.000 1.255 409 I HN 0.124 8.441 8.210 0.178 0.000 0.445 410 F N 1.533 121.465 119.950 -0.030 0.000 2.628 410 F HA 0.633 nan 4.527 nan 0.000 0.309 410 F C -2.805 172.957 175.800 -0.063 0.000 1.108 410 F CA -1.941 56.081 58.000 0.037 0.000 0.971 410 F CB 2.595 41.701 39.000 0.177 0.000 1.279 410 F HN 0.430 8.559 8.300 -0.285 0.000 0.441 411 S N 1.724 117.428 115.700 0.006 0.000 2.509 411 S HA 0.778 nan 4.470 nan 0.000 0.297 411 S C -1.015 173.679 174.600 0.157 0.000 1.118 411 S CA -1.085 57.035 58.200 -0.133 0.000 1.074 411 S CB 1.571 64.562 63.200 -0.348 0.000 1.038 411 S HN -0.100 8.560 8.310 0.118 -0.279 0.498 412 V N -0.071 119.920 119.914 0.128 0.000 2.638 412 V HA 0.483 nan 4.120 nan 0.000 0.306 412 V C -2.207 174.022 176.094 0.225 0.000 1.052 412 V CA -2.271 60.177 62.300 0.245 0.000 0.885 412 V CB 3.535 35.428 31.823 0.116 0.000 0.999 412 V HN 0.544 8.715 8.190 -0.033 0.000 0.424 413 E N 6.287 126.621 120.200 0.224 0.000 2.217 413 E HA 0.121 nan 4.350 nan 0.000 0.279 413 E C -0.448 176.166 176.600 0.022 0.000 1.068 413 E CA -0.511 55.944 56.400 0.092 0.000 0.882 413 E CB 0.340 29.976 29.700 -0.107 0.000 1.039 413 E HN 0.417 8.899 8.360 0.204 0.000 0.418 414 G N 4.821 113.630 108.800 0.014 0.000 2.531 414 G HA2 0.263 nan 3.960 nan 0.000 0.313 414 G HA3 0.263 nan 3.960 nan 0.000 0.313 414 G C -0.667 174.223 174.900 -0.017 0.000 1.238 414 G CA -1.595 43.499 45.100 -0.010 0.000 0.994 414 G HN 0.225 8.534 8.290 0.032 0.000 0.493 415 K N -0.345 120.043 120.400 -0.019 0.000 2.063 415 K HA -0.303 nan 4.320 nan 0.000 0.208 415 K C 0.656 177.245 176.600 -0.019 0.000 1.048 415 K CA 2.530 58.804 56.287 -0.021 0.000 0.928 415 K CB 0.062 32.551 32.500 -0.018 0.000 0.713 415 K HN 0.454 8.693 8.250 -0.019 0.000 0.442 416 S N -5.975 109.717 115.700 -0.014 0.000 2.632 416 S HA 0.066 nan 4.470 nan 0.000 0.237 416 S C -0.629 173.969 174.600 -0.004 0.000 1.037 416 S CA -0.206 57.988 58.200 -0.010 0.000 1.009 416 S CB 0.850 64.045 63.200 -0.008 0.000 0.974 416 S HN 0.042 8.343 8.310 -0.015 0.000 0.544 417 c N -2.535 116.063 118.600 -0.002 0.000 3.318 417 c HA 0.686 nan 4.570 nan 0.000 0.322 417 c C -2.232 171.868 174.090 0.018 0.000 1.398 417 c CA -2.930 53.403 56.329 0.007 0.000 1.339 417 c CB 3.731 46.238 42.510 -0.006 0.000 1.668 417 c HN -0.839 7.387 8.230 -0.007 0.000 0.462 418 I N -2.141 118.451 120.570 0.036 0.000 2.354 418 I HA 0.583 nan 4.170 nan 0.000 0.292 418 I C -2.171 173.913 176.117 -0.055 0.000 0.989 418 I CA -1.584 59.754 61.300 0.064 0.000 1.188 418 I CB 1.427 39.560 38.000 0.222 0.000 1.342 418 I HN 0.651 8.771 8.210 0.032 0.109 0.457 419 N N 7.057 125.702 118.700 -0.092 0.000 2.495 419 N HA 0.279 nan 4.740 nan 0.000 0.280 419 N C -1.693 173.617 175.510 -0.332 0.000 1.168 419 N CA -0.883 52.039 53.050 -0.213 0.000 0.978 419 N CB 2.510 40.876 38.487 -0.202 0.000 1.191 419 N HN 0.493 8.853 8.380 -0.033 0.000 0.497 420 R N 0.172 120.392 120.500 -0.466 0.000 2.599 420 R HA 0.785 nan 4.340 nan 0.000 0.295 420 R C -1.377 174.611 176.300 -0.520 0.000 0.963 420 R CA -1.084 54.645 56.100 -0.619 0.000 0.883 420 R CB 2.262 31.913 30.300 -1.081 0.000 1.171 420 R HN 0.334 8.349 8.270 -0.424 0.000 0.450 421 c N 0.559 118.706 118.600 -0.754 0.000 3.108 421 c HA 1.061 nan 4.570 nan 0.000 0.321 421 c C -1.860 171.746 174.090 -0.807 0.000 1.357 421 c CA -1.455 54.356 56.329 -0.863 0.000 1.562 421 c CB 4.104 45.697 42.510 -1.530 0.000 2.003 421 c HN 0.812 8.538 8.230 -0.840 0.000 0.460 422 F N -3.367 116.191 119.950 -0.654 0.000 2.668 422 F HA 0.923 nan 4.527 nan 0.000 0.309 422 F C -3.417 172.359 175.800 -0.041 0.000 1.117 422 F CA -1.768 55.905 58.000 -0.545 0.000 0.951 422 F CB 2.583 40.815 39.000 -1.281 0.000 1.323 422 F HN 0.947 8.764 8.300 -0.804 0.000 0.451 423 Y N -3.951 116.481 120.300 0.221 0.000 2.562 423 Y HA 0.910 nan 4.550 nan 0.000 0.343 423 Y C -2.848 173.184 175.900 0.221 0.000 1.025 423 Y CA -2.941 55.267 58.100 0.179 0.000 1.082 423 Y CB 2.726 41.314 38.460 0.212 0.000 1.264 423 Y HN -0.057 7.959 8.280 -0.438 0.000 0.478 424 V N -1.445 118.607 119.914 0.230 0.000 2.623 424 V HA 0.493 nan 4.120 nan 0.000 0.304 424 V C -2.312 173.938 176.094 0.261 0.000 1.054 424 V CA -2.472 59.884 62.300 0.095 0.000 0.882 424 V CB 3.249 34.899 31.823 -0.288 0.000 1.002 424 V HN 0.390 8.755 8.190 0.293 0.000 0.424 425 E N 8.329 128.726 120.200 0.329 0.000 2.290 425 E HA 0.226 nan 4.350 nan 0.000 0.277 425 E C -0.879 175.852 176.600 0.218 0.000 1.035 425 E CA -0.602 55.974 56.400 0.294 0.000 0.873 425 E CB 1.290 31.183 29.700 0.321 0.000 1.029 425 E HN 0.289 8.866 8.360 0.361 0.000 0.419 426 L N 7.933 129.271 121.223 0.192 0.000 2.297 426 L HA 0.327 nan 4.340 nan 0.000 0.277 426 L C -0.718 176.250 176.870 0.164 0.000 1.040 426 L CA -1.597 53.348 54.840 0.175 0.000 0.867 426 L CB -0.024 42.137 42.059 0.171 0.000 1.244 426 L HN 0.736 8.977 8.230 0.190 0.103 0.433 427 I N 5.657 126.319 120.570 0.154 0.000 2.575 427 I HA 0.119 nan 4.170 nan 0.000 0.285 427 I C -0.549 175.656 176.117 0.147 0.000 1.085 427 I CA 1.025 62.411 61.300 0.143 0.000 1.403 427 I CB 0.205 38.272 38.000 0.111 0.000 1.409 427 I HN -0.155 8.149 8.210 0.156 0.000 0.557 428 R N 3.106 123.721 120.500 0.190 0.000 2.808 428 R HA 0.573 nan 4.340 nan 0.000 0.272 428 R C -1.111 175.286 176.300 0.162 0.000 0.995 428 R CA -2.545 53.669 56.100 0.190 0.000 0.917 428 R CB 3.695 34.171 30.300 0.294 0.000 1.217 428 R HN 0.622 9.030 8.270 0.230 0.000 0.471 429 G N 0.850 109.594 108.800 -0.093 0.000 2.548 429 G HA2 -0.403 nan 3.960 nan 0.000 0.208 429 G HA3 -0.403 nan 3.960 nan 0.000 0.208 429 G C -1.464 173.268 174.900 -0.280 0.000 1.308 429 G CA -0.591 44.252 45.100 -0.428 0.000 0.924 429 G HN 0.428 9.024 8.290 -0.088 -0.360 0.540 430 R N 1.880 122.181 120.500 -0.331 0.000 2.538 430 R HA -0.210 nan 4.340 nan 0.000 0.273 430 R C 0.127 176.346 176.300 -0.134 0.000 0.967 430 R CA 1.341 57.299 56.100 -0.236 0.000 1.101 430 R CB 0.242 30.425 30.300 -0.195 0.000 0.908 430 R HN 0.172 8.167 8.270 -0.458 0.000 0.411 431 K N 1.934 122.253 120.400 -0.134 0.000 8.075 431 K HA -0.268 nan 4.320 nan 0.000 0.189 431 K C 0.749 177.291 176.600 -0.096 0.000 1.601 431 K CA 1.720 57.955 56.287 -0.086 0.000 0.930 431 K CB -1.427 31.045 32.500 -0.047 0.000 0.359 431 K HN 0.384 8.529 8.250 -0.174 0.000 0.420 432 Q N 0.186 119.944 119.800 -0.070 0.000 2.045 432 Q HA -0.271 nan 4.340 nan 0.000 0.206 432 Q C 1.123 177.058 176.000 -0.108 0.000 0.991 432 Q CA 2.624 58.386 55.803 -0.068 0.000 0.851 432 Q CB 0.449 29.167 28.738 -0.034 0.000 0.911 432 Q HN 0.214 8.455 8.270 -0.049 0.000 0.418 433 E N -1.145 118.969 120.200 -0.143 0.000 2.089 433 E HA 0.114 nan 4.350 nan 0.000 0.284 433 E C -0.121 176.305 176.600 -0.289 0.000 1.023 433 E CA -0.505 55.779 56.400 -0.194 0.000 0.819 433 E CB 0.260 29.847 29.700 -0.188 0.000 1.076 433 E HN -0.559 7.719 8.360 -0.137 0.000 0.396 434 T N 5.486 119.874 114.554 -0.278 0.000 3.100 434 T HA 0.072 nan 4.350 nan 0.000 0.253 434 T C 1.163 175.604 174.700 -0.431 0.000 1.118 434 T CA 1.736 63.612 62.100 -0.373 0.000 1.058 434 T CB -0.027 68.662 68.868 -0.299 0.000 0.953 434 T HN 0.613 8.723 8.240 -0.216 0.000 0.515 435 R N 1.143 121.447 120.500 -0.327 0.000 2.096 435 R HA -0.230 nan 4.340 nan 0.000 0.235 435 R C -0.372 175.724 176.300 -0.340 0.000 1.127 435 R CA 2.309 58.249 56.100 -0.267 0.000 0.968 435 R CB 0.110 30.314 30.300 -0.160 0.000 0.861 435 R HN -0.094 8.008 8.270 -0.279 0.000 0.440 436 V N -8.187 111.441 119.914 -0.477 0.000 3.096 436 V HA 0.273 nan 4.120 nan 0.000 0.319 436 V C -0.419 175.261 176.094 -0.689 0.000 1.082 436 V CA -3.810 58.163 62.300 -0.545 0.000 1.022 436 V CB 2.095 33.362 31.823 -0.926 0.000 1.103 436 V HN -0.851 7.022 8.190 -0.508 0.012 0.455 437 W N -1.990 119.083 121.300 -0.379 0.000 3.103 437 W HA 0.315 nan 4.660 nan 0.000 0.325 437 W C -0.697 175.761 176.519 -0.103 0.000 1.170 437 W CA 0.723 57.960 57.345 -0.179 0.000 1.712 437 W CB 1.278 30.723 29.460 -0.025 0.000 1.068 437 W HN 0.380 8.491 8.180 -0.116 0.000 0.592 438 W N -4.779 116.630 121.300 0.182 0.000 2.481 438 W HA 0.662 nan 4.660 nan 0.000 0.369 438 W C -1.880 174.678 176.519 0.064 0.000 1.235 438 W CA -1.770 55.648 57.345 0.122 0.000 1.344 438 W CB 1.520 31.049 29.460 0.115 0.000 1.360 438 W HN -0.905 6.781 8.180 -0.823 0.000 0.658 439 T N 1.604 116.456 114.554 0.496 0.000 2.921 439 T HA 0.687 nan 4.350 nan 0.000 0.297 439 T C -1.650 173.298 174.700 0.413 0.000 1.013 439 T CA -0.320 61.995 62.100 0.359 0.000 0.990 439 T CB 2.002 70.954 68.868 0.140 0.000 1.023 439 T HN -0.161 8.354 8.240 0.459 0.000 0.447 440 S N 3.827 119.780 115.700 0.422 0.000 2.727 440 S HA 0.600 nan 4.470 nan 0.000 0.278 440 S C -2.558 172.176 174.600 0.223 0.000 1.186 440 S CA -1.431 56.922 58.200 0.255 0.000 0.836 440 S CB 1.268 64.549 63.200 0.135 0.000 1.186 440 S HN 0.622 9.202 8.310 0.451 0.000 0.499 441 N N -1.764 117.036 118.700 0.167 0.000 2.825 441 N HA 0.626 nan 4.740 nan 0.000 0.253 441 N C -2.414 173.187 175.510 0.151 0.000 1.426 441 N CA -0.285 52.862 53.050 0.162 0.000 0.851 441 N CB 3.776 42.350 38.487 0.146 0.000 1.470 441 N HN 0.084 8.551 8.380 0.145 0.000 0.517 442 S N -2.357 113.432 115.700 0.149 0.000 2.740 442 S HA 0.854 nan 4.470 nan 0.000 0.300 442 S C -1.508 173.176 174.600 0.141 0.000 1.147 442 S CA -1.372 56.904 58.200 0.127 0.000 0.871 442 S CB 3.422 66.688 63.200 0.109 0.000 1.173 442 S HN 0.415 8.714 8.310 0.158 0.105 0.510 443 I N -7.555 113.085 120.570 0.116 0.000 3.095 443 I HA 0.977 nan 4.170 nan 0.000 0.310 443 I C -2.567 173.630 176.117 0.133 0.000 1.196 443 I CA -1.646 59.743 61.300 0.148 0.000 0.985 443 I CB 3.890 41.973 38.000 0.139 0.000 1.250 443 I HN -0.006 8.516 8.210 0.079 -0.265 0.446 444 V N 0.965 120.983 119.914 0.172 0.000 2.932 444 V HA 0.777 nan 4.120 nan 0.000 0.307 444 V C -3.136 173.072 176.094 0.191 0.000 1.147 444 V CA -1.810 60.592 62.300 0.169 0.000 0.951 444 V CB 3.823 35.800 31.823 0.256 0.000 1.031 444 V HN -0.240 8.075 8.190 0.210 0.000 0.426 445 V N 4.991 124.989 119.914 0.140 0.000 2.789 445 V HA 1.054 nan 4.120 nan 0.000 0.311 445 V C -2.718 173.398 176.094 0.037 0.000 1.073 445 V CA -2.697 59.691 62.300 0.147 0.000 0.921 445 V CB 3.670 35.663 31.823 0.284 0.000 1.009 445 V HN 0.893 9.002 8.190 0.033 0.101 0.426 446 F N 4.380 123.976 119.950 -0.590 0.000 2.577 446 F HA 0.848 nan 4.527 nan 0.000 0.318 446 F C -1.544 173.910 175.800 -0.577 0.000 1.065 446 F CA -2.968 54.688 58.000 -0.575 0.000 0.929 446 F CB 4.762 43.313 39.000 -0.748 0.000 1.237 446 F HN 0.459 8.431 8.300 -0.546 0.000 0.468 447 c N 0.675 119.126 118.600 -0.248 0.000 2.498 447 c HA 0.731 nan 4.570 nan 0.000 0.316 447 c C -0.185 173.863 174.090 -0.069 0.000 1.209 447 c CA -1.104 55.032 56.329 -0.321 0.000 1.518 447 c CB 3.474 45.566 42.510 -0.696 0.000 2.147 447 c HN 0.534 8.634 8.230 -0.217 0.000 0.483 448 G N 2.858 111.651 108.800 -0.011 0.000 2.647 448 G HA2 0.116 nan 3.960 nan 0.000 0.234 448 G HA3 0.116 nan 3.960 nan 0.000 0.234 448 G C -1.674 173.035 174.900 -0.317 0.000 1.252 448 G CA 1.239 46.127 45.100 -0.354 0.000 0.846 448 G HN 0.234 8.527 8.290 0.005 0.000 0.589 449 T N -1.030 113.313 114.554 -0.351 0.000 2.894 449 T HA 0.315 nan 4.350 nan 0.000 0.309 449 T C -1.203 173.418 174.700 -0.132 0.000 1.208 449 T CA -1.028 60.965 62.100 -0.178 0.000 1.016 449 T CB 1.840 70.662 68.868 -0.076 0.000 1.192 449 T HN 0.163 8.084 8.240 -0.530 0.000 0.491 450 S N 3.665 119.326 115.700 -0.064 0.000 2.540 450 S HA 0.342 nan 4.470 nan 0.000 0.218 450 S C 0.600 175.212 174.600 0.021 0.000 0.977 450 S CA -0.375 57.812 58.200 -0.021 0.000 0.918 450 S CB 0.427 63.615 63.200 -0.022 0.000 0.806 450 S HN 0.388 8.662 8.310 -0.060 0.000 0.496 451 G N 2.472 111.295 108.800 0.039 0.000 2.773 451 G HA2 0.084 nan 3.960 nan 0.000 0.186 451 G HA3 0.084 nan 3.960 nan 0.000 0.186 451 G C -1.605 173.351 174.900 0.093 0.000 1.411 451 G CA -1.004 44.130 45.100 0.055 0.000 1.054 451 G HN -0.348 7.878 8.290 0.030 0.082 0.579 452 T N -0.371 114.227 114.554 0.073 0.000 2.952 452 T HA 0.515 nan 4.350 nan 0.000 0.286 452 T C -0.880 173.893 174.700 0.122 0.000 1.024 452 T CA -0.524 61.570 62.100 -0.010 0.000 1.029 452 T CB 1.691 70.535 68.868 -0.040 0.000 1.094 452 T HN 0.011 8.292 8.240 0.068 0.000 0.515 453 Y N -2.936 117.415 120.300 0.085 0.000 2.750 453 Y HA 0.514 nan 4.550 nan 0.000 0.335 453 Y C -1.119 174.867 175.900 0.144 0.000 1.252 453 Y CA -1.071 57.100 58.100 0.119 0.000 1.064 453 Y CB 0.425 38.972 38.460 0.146 0.000 1.321 453 Y HN -0.093 7.880 8.280 -0.512 0.000 0.451 454 G N -0.668 108.374 108.800 0.403 0.000 3.310 454 G HA2 0.516 nan 3.960 nan 0.000 0.176 454 G HA3 0.516 nan 3.960 nan 0.000 0.176 454 G C -1.778 173.367 174.900 0.407 0.000 1.307 454 G CA -0.985 44.299 45.100 0.306 0.000 0.935 454 G HN 0.510 9.093 8.290 0.487 0.000 0.628 455 T N -0.845 113.907 114.554 0.330 0.000 2.883 455 T HA 0.505 nan 4.350 nan 0.000 0.296 455 T C -1.598 173.231 174.700 0.214 0.000 1.117 455 T CA 0.378 62.658 62.100 0.300 0.000 1.006 455 T CB 1.602 70.582 68.868 0.187 0.000 1.191 455 T HN 0.025 8.429 8.240 0.273 0.000 0.508 456 G N 1.965 110.803 108.800 0.064 0.000 2.325 456 G HA2 0.080 nan 3.960 nan 0.000 0.295 456 G HA3 0.080 nan 3.960 nan 0.000 0.295 456 G C -3.251 171.348 174.900 -0.503 0.000 1.274 456 G CA 0.854 45.676 45.100 -0.464 0.000 0.857 456 G HN 0.088 8.473 8.290 0.159 0.000 0.499 457 S N -0.536 114.608 115.700 -0.927 0.000 2.584 457 S HA 0.321 nan 4.470 nan 0.000 0.280 457 S C -1.709 172.631 174.600 -0.433 0.000 1.162 457 S CA -0.380 57.625 58.200 -0.325 0.000 0.951 457 S CB 1.724 64.840 63.200 -0.140 0.000 1.108 457 S HN -0.040 7.405 8.310 -1.441 0.000 0.464 458 W N 6.527 127.937 121.300 0.184 0.000 2.423 458 W HA 0.369 nan 4.660 nan 0.000 0.286 458 W C -2.571 174.043 176.519 0.158 0.000 1.001 458 W CA -1.631 55.824 57.345 0.184 0.000 1.643 458 W CB 1.604 31.223 29.460 0.265 0.000 1.593 458 W HN 0.393 8.908 8.180 0.560 0.000 0.403 459 P HA 0.352 nan 4.420 nan 0.000 0.284 459 P C 0.036 177.449 177.300 0.187 0.000 1.292 459 P CA -1.107 62.115 63.100 0.204 0.000 0.800 459 P CB 2.136 33.918 31.700 0.137 0.000 1.188 460 D N 1.302 121.798 120.400 0.160 0.000 2.127 460 D HA -0.385 nan 4.640 nan 0.000 0.190 460 D C 1.015 177.390 176.300 0.126 0.000 1.000 460 D CA 2.799 56.885 54.000 0.144 0.000 0.839 460 D CB 0.168 41.051 40.800 0.138 0.000 0.955 460 D HN 0.569 9.032 8.370 0.156 0.000 0.446 461 G N -3.381 105.483 108.800 0.106 0.000 2.213 461 G HA2 -0.317 nan 3.960 nan 0.000 0.226 461 G HA3 -0.317 nan 3.960 nan 0.000 0.226 461 G C -0.776 174.170 174.900 0.076 0.000 0.992 461 G CA -0.416 44.737 45.100 0.088 0.000 0.632 461 G HN 0.169 8.521 8.290 0.102 0.000 0.511 462 A N 1.569 124.442 122.820 0.088 0.000 2.371 462 A HA 0.074 nan 4.320 nan 0.000 0.257 462 A C -1.042 176.554 177.584 0.020 0.000 1.089 462 A CA -0.257 51.834 52.037 0.089 0.000 0.794 462 A CB 0.526 19.609 19.000 0.138 0.000 1.029 462 A HN -0.589 7.811 8.150 0.102 -0.188 0.488 463 N N 1.937 120.600 118.700 -0.062 0.000 2.439 463 N HA 0.051 nan 4.740 nan 0.000 0.249 463 N C 0.655 176.068 175.510 -0.162 0.000 1.003 463 N CA -1.291 51.591 53.050 -0.279 0.000 0.942 463 N CB 0.698 38.657 38.487 -0.880 0.000 1.115 463 N HN 0.234 8.622 8.380 0.012 0.000 0.505 464 I N 6.728 127.247 120.570 -0.084 0.000 2.530 464 I HA -0.430 nan 4.170 nan 0.000 0.257 464 I C 0.123 176.239 176.117 -0.002 0.000 1.179 464 I CA 1.262 62.558 61.300 -0.007 0.000 1.440 464 I CB 0.324 38.296 38.000 -0.047 0.000 1.087 464 I HN 0.588 8.743 8.210 -0.093 0.000 0.440 465 N N -1.048 117.596 118.700 -0.093 0.000 2.457 465 N HA -0.252 nan 4.740 nan 0.000 0.180 465 N C 1.127 176.778 175.510 0.235 0.000 1.050 465 N CA 2.634 55.686 53.050 0.004 0.000 0.906 465 N CB 0.052 38.506 38.487 -0.056 0.000 0.968 465 N HN -0.235 8.286 8.380 -0.219 -0.272 0.445 466 F N -3.732 116.263 119.950 0.075 0.000 2.698 466 F HA 0.021 nan 4.527 nan 0.000 0.295 466 F C 0.411 176.274 175.800 0.105 0.000 1.124 466 F CA -0.917 57.129 58.000 0.076 0.000 1.426 466 F CB 0.077 39.118 39.000 0.067 0.000 1.120 466 F HN -0.215 7.937 8.300 0.031 0.166 0.583 467 M N -0.184 119.613 119.600 0.327 0.000 2.248 467 M HA 0.201 nan 4.480 nan 0.000 0.337 467 M C -1.374 175.116 176.300 0.317 0.000 1.121 467 M CA -2.941 52.560 55.300 0.334 0.000 1.155 467 M CB -1.101 31.785 32.600 0.477 0.000 1.514 467 M HN -0.787 7.509 8.290 0.276 0.159 0.452 468 P HA 0.085 nan 4.420 nan 0.000 0.272 468 P C -0.988 176.568 177.300 0.425 0.000 1.230 468 P CA -0.096 63.167 63.100 0.271 0.000 0.788 468 P CB 0.330 32.134 31.700 0.173 0.000 0.949 469 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 61.510 61.300 0.349 0.000 1.566 469 I CB 0.000 38.307 38.000 0.512 0.000 1.214 469 I HN 0.000 8.351 8.210 0.235 0.000 0.494