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 1c4r_1_H DATA FIRST_RESID 82 DATA SEQUENCE HAGTTYIFSK GGGQITYKWP PNDRPSTRAD RLAIGFSTVQ KEAVLVRVDS DATA SEQUENCE SSGLGDYLEL HIHQGKIGVK FNVGTDDIAI EESNAIINDG KYHVVRFTRS DATA SEQUENCE GGNATLQVDS WPVIERYPAX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXG DATA SEQUENCE RQLTIFNSQA TIIIGGKEQG QPFQGQLSGL YYNGLKVLNM AAENDANIAI DATA SEQUENCE VGNVRLV 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 H HA 0.000 nan 4.556 nan 0.000 0.296 82 H C 0.000 175.122 175.328 -0.344 0.000 0.993 82 H CA 0.000 55.642 56.048 -0.676 0.000 1.023 82 H CB 0.000 29.679 29.762 -0.138 0.000 1.292 83 A N 2.128 124.913 122.820 -0.058 0.000 2.712 83 A HA 0.583 4.903 4.320 0.000 0.000 0.211 83 A C 1.495 179.114 177.584 0.059 0.000 1.877 83 A CA 0.802 52.848 52.037 0.015 0.000 0.686 83 A CB -0.868 18.182 19.000 0.084 0.000 1.308 83 A HN 0.711 nan 8.150 nan 0.000 0.498 84 G N -1.147 107.713 108.800 0.100 0.000 2.504 84 G HA2 0.418 4.378 3.960 0.000 0.000 0.257 84 G HA3 0.418 4.378 3.960 0.000 0.000 0.257 84 G C -0.007 174.956 174.900 0.105 0.000 1.451 84 G CA 0.360 45.515 45.100 0.092 0.000 1.059 84 G HN 0.483 nan 8.290 nan 0.000 0.550 85 T N 0.571 115.185 114.554 0.099 0.000 2.872 85 T HA 0.276 4.626 4.350 0.000 0.000 0.292 85 T C 0.144 174.928 174.700 0.140 0.000 1.036 85 T CA 0.764 62.916 62.100 0.087 0.000 1.136 85 T CB 0.034 68.981 68.868 0.132 0.000 1.052 85 T HN 0.459 nan 8.240 nan 0.000 0.512 86 T N 3.040 117.618 114.554 0.040 0.000 2.876 86 T HA 0.580 4.930 4.350 0.000 0.000 0.289 86 T C -1.260 173.420 174.700 -0.034 0.000 1.014 86 T CA -0.480 61.693 62.100 0.121 0.000 0.986 86 T CB 0.963 69.886 68.868 0.091 0.000 1.021 86 T HN 0.456 nan 8.240 nan 0.000 0.458 87 Y N 0.842 121.250 120.300 0.180 0.000 2.477 87 Y HA 0.638 5.188 4.550 0.000 0.000 0.347 87 Y C -0.198 175.819 175.900 0.196 0.000 0.981 87 Y CA -1.132 57.034 58.100 0.110 0.000 1.033 87 Y CB 1.501 40.001 38.460 0.066 0.000 1.245 87 Y HN 0.463 nan 8.280 nan 0.000 0.455 88 I N 3.393 124.070 120.570 0.179 0.000 2.404 88 I HA 0.339 4.509 4.170 0.000 0.000 0.293 88 I C -1.289 174.877 176.117 0.082 0.000 0.992 88 I CA -0.692 60.737 61.300 0.215 0.000 1.149 88 I CB 1.181 39.234 38.000 0.089 0.000 1.315 88 I HN 0.369 nan 8.210 nan 0.000 0.446 89 F N 3.788 123.854 119.950 0.193 0.000 2.402 89 F HA 0.431 4.958 4.527 0.000 0.000 0.355 89 F C 0.482 176.314 175.800 0.053 0.000 1.123 89 F CA -0.298 57.794 58.000 0.154 0.000 1.021 89 F CB 1.598 40.755 39.000 0.261 0.000 1.160 89 F HN 0.332 nan 8.300 nan 0.000 0.451 90 S N 1.528 117.303 115.700 0.126 0.000 2.766 90 S HA 0.448 4.918 4.470 0.000 0.000 0.307 90 S C -0.611 174.025 174.600 0.060 0.000 1.121 90 S CA -1.325 56.916 58.200 0.069 0.000 0.980 90 S CB 1.001 64.221 63.200 0.033 0.000 1.159 90 S HN 0.408 nan 8.310 nan 0.000 0.546 91 K N 0.966 121.386 120.400 0.033 0.000 2.513 91 K HA 0.141 4.461 4.320 0.000 0.000 0.275 91 K C 1.154 177.774 176.600 0.034 0.000 1.025 91 K CA 1.039 57.342 56.287 0.026 0.000 1.125 91 K CB -0.510 32.000 32.500 0.015 0.000 0.843 91 K HN 0.983 nan 8.250 nan 0.000 0.486 92 G N 1.564 110.386 108.800 0.038 0.000 2.254 92 G HA2 -0.142 3.818 3.960 0.000 0.000 0.225 92 G HA3 -0.142 3.818 3.960 0.000 0.000 0.225 92 G C 0.469 175.407 174.900 0.064 0.000 1.003 92 G CA -0.086 45.039 45.100 0.041 0.000 0.622 92 G HN 1.327 nan 8.290 nan 0.000 0.507 93 G N -1.021 107.836 108.800 0.096 0.000 2.758 93 G HA2 0.536 4.496 3.960 0.000 0.000 0.686 93 G HA3 0.536 4.496 3.960 0.000 0.000 0.686 93 G C 0.546 175.548 174.900 0.169 0.000 1.389 93 G CA 0.703 45.899 45.100 0.160 0.000 0.845 93 G HN 2.303 nan 8.290 nan 0.000 0.572 94 G N -1.103 107.872 108.800 0.291 0.000 2.827 94 G HA2 0.907 4.867 3.960 0.000 0.000 0.296 94 G HA3 0.907 4.867 3.960 0.000 0.000 0.296 94 G C -0.875 174.208 174.900 0.304 0.000 1.362 94 G CA 0.600 45.822 45.100 0.204 0.000 0.809 94 G HN 1.327 nan 8.290 nan 0.000 0.522 95 Q N -0.539 119.377 119.800 0.195 0.000 2.430 95 Q HA 0.415 4.755 4.340 0.000 0.000 0.253 95 Q C -1.821 174.227 176.000 0.080 0.000 0.945 95 Q CA -0.541 55.378 55.803 0.193 0.000 0.964 95 Q CB 1.867 30.667 28.738 0.103 0.000 1.460 95 Q HN 0.537 nan 8.270 nan 0.000 0.428 96 I N 2.775 123.395 120.570 0.083 0.000 2.377 96 I HA 0.480 4.651 4.170 0.000 0.000 0.293 96 I C -0.524 175.580 176.117 -0.022 0.000 0.987 96 I CA -0.669 60.611 61.300 -0.034 0.000 1.185 96 I CB 2.173 40.100 38.000 -0.121 0.000 1.341 96 I HN 0.549 nan 8.210 nan 0.000 0.455 97 T N 5.251 119.783 114.554 -0.038 0.000 2.840 97 T HA 0.298 4.648 4.350 0.000 0.000 0.287 97 T C -1.050 173.615 174.700 -0.058 0.000 0.991 97 T CA -0.441 61.633 62.100 -0.043 0.000 0.964 97 T CB 0.867 69.707 68.868 -0.047 0.000 0.954 97 T HN 0.322 nan 8.240 nan 0.000 0.438 98 Y N 3.122 123.304 120.300 -0.197 0.000 2.330 98 Y HA 0.603 5.153 4.550 0.000 0.000 0.336 98 Y C -0.155 175.563 175.900 -0.303 0.000 1.036 98 Y CA -0.774 57.155 58.100 -0.285 0.000 1.125 98 Y CB 0.863 39.073 38.460 -0.416 0.000 1.194 98 Y HN 0.317 nan 8.280 nan 0.000 0.469 99 K N 6.934 126.736 120.400 -0.997 0.000 2.463 99 K HA 0.156 4.476 4.320 0.000 0.000 0.255 99 K C -1.212 174.947 176.600 -0.735 0.000 0.942 99 K CA -0.560 55.378 56.287 -0.582 0.000 0.814 99 K CB 0.957 33.281 32.500 -0.294 0.000 1.122 99 K HN 0.733 nan 8.250 nan 0.000 0.425 100 W N 3.792 124.882 121.300 -0.350 0.000 2.190 100 W HA 0.146 4.806 4.660 0.000 0.000 0.330 100 W C -1.995 174.443 176.519 -0.135 0.000 1.299 100 W CA -1.669 55.571 57.345 -0.174 0.000 1.215 100 W CB 0.285 29.753 29.460 0.013 0.000 1.147 100 W HN 0.309 nan 8.180 nan 0.000 0.563 101 P HA 0.016 nan 4.420 nan 0.000 0.268 101 P C -1.763 175.588 177.300 0.086 0.000 1.205 101 P CA -0.467 62.673 63.100 0.065 0.000 0.771 101 P CB 0.172 31.913 31.700 0.068 0.000 0.858 102 P HA -0.246 nan 4.420 nan 0.000 0.218 102 P C 0.856 178.167 177.300 0.018 0.000 1.152 102 P CA 1.608 64.726 63.100 0.031 0.000 0.857 102 P CB -0.091 31.619 31.700 0.016 0.000 0.787 103 N N -1.371 117.341 118.700 0.020 0.000 2.398 103 N HA -0.031 4.709 4.740 0.000 0.000 0.188 103 N C 0.334 175.843 175.510 -0.000 0.000 1.122 103 N CA 0.699 53.752 53.050 0.005 0.000 0.866 103 N CB -0.021 38.471 38.487 0.008 0.000 0.970 103 N HN 0.169 nan 8.380 nan 0.000 0.462 104 D N 0.250 120.664 120.400 0.023 0.000 2.462 104 D HA 0.101 4.741 4.640 0.000 0.000 0.221 104 D C -0.008 176.208 176.300 -0.140 0.000 1.173 104 D CA -0.119 53.888 54.000 0.011 0.000 0.831 104 D CB 0.657 41.541 40.800 0.140 0.000 1.001 104 D HN 0.071 nan 8.370 nan 0.000 0.499 105 R N 2.438 122.838 120.500 -0.166 0.000 2.404 105 R HA 0.132 4.472 4.340 0.000 0.000 0.315 105 R C -2.091 173.933 176.300 -0.460 0.000 1.032 105 R CA -0.695 55.173 56.100 -0.386 0.000 0.992 105 R CB 0.325 30.497 30.300 -0.213 0.000 0.959 105 R HN 0.074 nan 8.270 nan 0.000 0.428 106 P HA 0.162 nan 4.420 nan 0.000 0.278 106 P C -0.824 176.215 177.300 -0.435 0.000 1.258 106 P CA -0.499 62.299 63.100 -0.504 0.000 0.811 106 P CB 1.436 32.810 31.700 -0.544 0.000 1.063 107 S N -0.284 115.252 115.700 -0.273 0.000 2.538 107 S HA 0.688 5.158 4.470 0.000 0.000 0.288 107 S C -0.488 174.033 174.600 -0.133 0.000 1.108 107 S CA -0.401 57.684 58.200 -0.191 0.000 0.971 107 S CB 1.537 64.669 63.200 -0.114 0.000 1.041 107 S HN 0.723 nan 8.310 nan 0.000 0.483 108 T N -0.286 114.227 114.554 -0.069 0.000 2.916 108 T HA 0.540 4.890 4.350 0.000 0.000 0.305 108 T C 0.092 174.807 174.700 0.025 0.000 1.119 108 T CA -0.954 61.126 62.100 -0.034 0.000 1.008 108 T CB 1.719 70.553 68.868 -0.057 0.000 1.129 108 T HN 0.433 nan 8.240 nan 0.000 0.480 109 R N 0.225 120.723 120.500 -0.002 0.000 2.290 109 R HA 0.565 4.905 4.340 0.000 0.000 0.197 109 R C 0.490 176.778 176.300 -0.021 0.000 0.913 109 R CA 0.263 56.364 56.100 0.001 0.000 1.040 109 R CB 0.624 30.920 30.300 -0.007 0.000 0.992 109 R HN 0.833 nan 8.270 nan 0.000 0.500 110 A N 0.784 123.584 122.820 -0.033 0.000 2.520 110 A HA 0.477 4.797 4.320 0.000 0.000 0.298 110 A C -1.701 175.845 177.584 -0.064 0.000 1.051 110 A CA -0.880 51.117 52.037 -0.066 0.000 0.690 110 A CB 1.611 20.569 19.000 -0.070 0.000 1.281 110 A HN -0.050 nan 8.150 nan 0.000 0.402 111 D N 0.815 121.168 120.400 -0.078 0.000 2.575 111 D HA 0.574 5.214 4.640 0.000 0.000 0.236 111 D C -0.808 175.458 176.300 -0.058 0.000 1.075 111 D CA -0.305 53.669 54.000 -0.044 0.000 0.860 111 D CB 2.037 42.928 40.800 0.152 0.000 1.475 111 D HN 0.512 nan 8.370 nan 0.000 0.474 112 R N 0.926 121.405 120.500 -0.036 0.000 2.502 112 R HA 0.531 4.871 4.340 0.000 0.000 0.300 112 R C -1.269 175.166 176.300 0.225 0.000 0.984 112 R CA -0.890 55.254 56.100 0.073 0.000 0.882 112 R CB 2.080 32.445 30.300 0.107 0.000 1.180 112 R HN 0.235 nan 8.270 nan 0.000 0.444 113 L N 2.365 123.796 121.223 0.345 0.000 2.376 113 L HA 0.797 5.137 4.340 0.000 0.000 0.275 113 L C -1.430 175.618 176.870 0.296 0.000 0.987 113 L CA -0.189 54.896 54.840 0.408 0.000 0.828 113 L CB 1.940 44.271 42.059 0.453 0.000 1.249 113 L HN 0.781 nan 8.230 nan 0.000 0.409 114 A N 5.862 128.852 122.820 0.283 0.000 2.414 114 A HA 0.899 5.219 4.320 0.000 0.000 0.306 114 A C -1.407 176.271 177.584 0.157 0.000 1.054 114 A CA -0.505 51.637 52.037 0.175 0.000 0.724 114 A CB 1.368 20.434 19.000 0.111 0.000 1.267 114 A HN 0.833 nan 8.150 nan 0.000 0.418 115 I N 0.788 121.421 120.570 0.105 0.000 2.785 115 I HA 0.592 4.762 4.170 0.000 0.000 0.293 115 I C -0.063 176.109 176.117 0.092 0.000 1.446 115 I CA -0.460 60.900 61.300 0.100 0.000 1.028 115 I CB 2.102 40.134 38.000 0.052 0.000 1.349 115 I HN 0.881 nan 8.210 nan 0.000 0.438 116 G N 5.492 114.339 108.800 0.079 0.000 2.348 116 G HA2 0.674 4.634 3.960 0.000 0.000 0.312 116 G HA3 0.674 4.634 3.960 0.000 0.000 0.312 116 G C -1.371 173.551 174.900 0.036 0.000 1.126 116 G CA -0.363 44.662 45.100 -0.125 0.000 0.865 116 G HN 0.616 nan 8.290 nan 0.000 0.474 117 F N 0.117 119.882 119.950 -0.308 0.000 2.654 117 F HA 0.788 5.315 4.527 0.000 0.000 0.308 117 F C -0.545 175.317 175.800 0.104 0.000 1.108 117 F CA -1.423 56.579 58.000 0.003 0.000 0.957 117 F CB 1.813 40.792 39.000 -0.034 0.000 1.309 117 F HN 0.593 nan 8.300 nan 0.000 0.446 118 S N 1.126 117.143 115.700 0.528 0.000 2.677 118 S HA 0.777 5.247 4.470 0.000 0.000 0.283 118 S C -0.975 173.913 174.600 0.480 0.000 1.159 118 S CA -0.391 58.044 58.200 0.391 0.000 1.001 118 S CB 1.441 64.899 63.200 0.430 0.000 1.032 118 S HN 1.227 nan 8.310 nan 0.000 0.487 119 T N 0.064 114.854 114.554 0.394 0.000 2.769 119 T HA 0.553 4.904 4.350 0.000 0.000 0.306 119 T C -0.183 174.619 174.700 0.171 0.000 1.400 119 T CA 0.037 62.261 62.100 0.208 0.000 1.007 119 T CB 1.316 70.312 68.868 0.213 0.000 1.392 119 T HN 1.484 nan 8.240 nan 0.000 0.500 120 V N -0.165 119.793 119.914 0.073 0.000 3.432 120 V HA 0.486 4.606 4.120 0.000 0.000 0.298 120 V C 0.513 176.638 176.094 0.052 0.000 1.464 120 V CA -0.182 62.164 62.300 0.077 0.000 1.046 120 V CB -0.310 31.544 31.823 0.052 0.000 0.887 120 V HN 0.771 nan 8.190 nan 0.000 0.441 121 Q N 1.149 120.967 119.800 0.029 0.000 2.392 121 Q HA 0.278 4.618 4.340 0.000 0.000 0.262 121 Q C 0.571 176.601 176.000 0.050 0.000 1.003 121 Q CA 0.321 56.136 55.803 0.019 0.000 0.888 121 Q CB 1.158 29.890 28.738 -0.011 0.000 1.260 121 Q HN 0.441 nan 8.270 nan 0.000 0.435 122 K N 0.793 121.212 120.400 0.031 0.000 2.352 122 K HA 0.083 4.403 4.320 0.000 0.000 0.194 122 K C -0.147 176.466 176.600 0.022 0.000 1.038 122 K CA 0.567 56.865 56.287 0.019 0.000 1.023 122 K CB 0.667 33.162 32.500 -0.008 0.000 0.840 122 K HN 0.455 nan 8.250 nan 0.000 0.519 123 E N 0.018 120.240 120.200 0.038 0.000 2.314 123 E HA 0.637 4.987 4.350 0.000 0.000 0.272 123 E C -1.262 175.377 176.600 0.065 0.000 0.884 123 E CA -0.700 55.735 56.400 0.058 0.000 0.753 123 E CB 2.365 32.096 29.700 0.053 0.000 1.213 123 E HN 0.099 nan 8.360 nan 0.000 0.432 124 A N 0.902 123.767 122.820 0.076 0.000 2.583 124 A HA 0.366 4.686 4.320 0.000 0.000 0.300 124 A C -1.738 175.895 177.584 0.082 0.000 0.966 124 A CA -0.625 51.471 52.037 0.098 0.000 0.673 124 A CB 0.725 19.840 19.000 0.191 0.000 1.297 124 A HN 0.219 nan 8.150 nan 0.000 0.418 125 V N 3.187 123.135 119.914 0.055 0.000 2.417 125 V HA 0.417 4.537 4.120 0.000 0.000 0.291 125 V C 0.813 176.855 176.094 -0.087 0.000 1.024 125 V CA -0.352 61.955 62.300 0.012 0.000 0.861 125 V CB 1.304 33.130 31.823 0.004 0.000 0.985 125 V HN 0.817 nan 8.190 nan 0.000 0.436 126 L N 4.739 125.833 121.223 -0.216 0.000 2.269 126 L HA 0.374 4.714 4.340 0.000 0.000 0.200 126 L C 0.133 176.801 176.870 -0.336 0.000 1.069 126 L CA 0.843 55.418 54.840 -0.442 0.000 0.804 126 L CB 0.008 41.675 42.059 -0.653 0.000 0.987 126 L HN 0.384 nan 8.230 nan 0.000 0.468 127 V N 0.260 120.026 119.914 -0.246 0.000 2.841 127 V HA 0.496 4.616 4.120 0.000 0.000 0.310 127 V C -0.753 175.260 176.094 -0.135 0.000 1.090 127 V CA -0.673 61.513 62.300 -0.190 0.000 0.930 127 V CB 2.742 34.451 31.823 -0.191 0.000 1.014 127 V HN 0.262 nan 8.190 nan 0.000 0.425 128 R N 2.556 122.997 120.500 -0.099 0.000 2.533 128 R HA 0.763 5.103 4.340 0.000 0.000 0.288 128 R C -2.148 174.146 176.300 -0.011 0.000 1.039 128 R CA -0.391 55.688 56.100 -0.035 0.000 0.909 128 R CB 2.230 32.525 30.300 -0.008 0.000 1.195 128 R HN 0.534 nan 8.270 nan 0.000 0.438 129 V N 4.205 124.153 119.914 0.057 0.000 2.398 129 V HA 0.395 4.515 4.120 0.000 0.000 0.286 129 V C -0.471 175.828 176.094 0.341 0.000 1.026 129 V CA -0.541 61.843 62.300 0.140 0.000 0.868 129 V CB 1.608 33.495 31.823 0.106 0.000 0.982 129 V HN 0.765 nan 8.190 nan 0.000 0.443 130 D N 2.259 122.823 120.400 0.273 0.000 2.350 130 D HA 0.449 5.089 4.640 0.000 0.000 0.245 130 D C -0.066 176.379 176.300 0.241 0.000 1.036 130 D CA -0.125 54.044 54.000 0.283 0.000 0.848 130 D CB 2.422 43.317 40.800 0.159 0.000 1.307 130 D HN 0.628 nan 8.370 nan 0.000 0.469 131 S N 0.338 116.205 115.700 0.278 0.000 2.624 131 S HA 0.376 4.846 4.470 0.000 0.000 0.263 131 S C 0.653 175.316 174.600 0.106 0.000 1.287 131 S CA -0.779 57.516 58.200 0.159 0.000 0.990 131 S CB 0.853 64.194 63.200 0.236 0.000 0.950 131 S HN 0.441 nan 8.310 nan 0.000 0.561 132 S N 1.152 116.885 115.700 0.056 0.000 2.587 132 S HA 0.245 4.715 4.470 0.000 0.000 0.260 132 S C 0.278 174.909 174.600 0.051 0.000 1.353 132 S CA -0.754 57.474 58.200 0.047 0.000 0.995 132 S CB -0.293 62.920 63.200 0.023 0.000 0.912 132 S HN 0.743 nan 8.310 nan 0.000 0.568 133 S N 0.863 116.586 115.700 0.038 0.000 2.558 133 S HA 0.446 4.916 4.470 0.000 0.000 0.293 133 S C 1.515 176.135 174.600 0.032 0.000 1.292 133 S CA 0.506 58.726 58.200 0.033 0.000 1.063 133 S CB -0.059 63.154 63.200 0.022 0.000 0.831 133 S HN 1.615 nan 8.310 nan 0.000 0.499 134 G N 1.975 110.795 108.800 0.033 0.000 2.284 134 G HA2 -0.207 3.753 3.960 0.000 0.000 0.230 134 G HA3 -0.207 3.753 3.960 0.000 0.000 0.230 134 G C -0.054 174.872 174.900 0.043 0.000 1.021 134 G CA -0.198 44.921 45.100 0.032 0.000 0.619 134 G HN 0.573 nan 8.290 nan 0.000 0.510 135 L N 0.638 121.896 121.223 0.059 0.000 2.360 135 L HA 0.667 5.007 4.340 0.000 0.000 0.271 135 L C 1.569 178.501 176.870 0.104 0.000 1.057 135 L CA 0.034 54.922 54.840 0.080 0.000 0.803 135 L CB 1.720 43.834 42.059 0.093 0.000 1.207 135 L HN 0.153 nan 8.230 nan 0.000 0.445 136 G N -0.486 108.385 108.800 0.118 0.000 3.277 136 G HA2 0.059 4.019 3.960 0.000 0.000 0.243 136 G HA3 0.059 4.019 3.960 0.000 0.000 0.243 136 G C -0.056 174.987 174.900 0.239 0.000 1.107 136 G CA -0.275 44.915 45.100 0.151 0.000 0.771 136 G HN 0.539 nan 8.290 nan 0.000 0.544 137 D N 0.699 121.237 120.400 0.230 0.000 2.424 137 D HA 0.434 5.074 4.640 0.000 0.000 0.244 137 D C -0.163 176.351 176.300 0.357 0.000 1.134 137 D CA 0.561 54.694 54.000 0.222 0.000 0.881 137 D CB 0.610 41.627 40.800 0.362 0.000 1.191 137 D HN 0.504 nan 8.370 nan 0.000 0.445 138 Y N -0.285 119.947 120.300 -0.112 0.000 2.677 138 Y HA 0.562 5.112 4.550 0.000 0.000 0.334 138 Y C -2.350 173.390 175.900 -0.267 0.000 1.196 138 Y CA -1.570 56.505 58.100 -0.042 0.000 1.059 138 Y CB 0.851 39.331 38.460 0.033 0.000 1.315 138 Y HN 0.223 nan 8.280 nan 0.000 0.455 139 L N 2.393 123.597 121.223 -0.031 0.000 2.438 139 L HA 0.674 5.014 4.340 0.000 0.000 0.270 139 L C -1.475 175.419 176.870 0.040 0.000 0.972 139 L CA -0.644 54.108 54.840 -0.147 0.000 0.831 139 L CB 2.103 44.106 42.059 -0.092 0.000 1.273 139 L HN 0.901 nan 8.230 nan 0.000 0.405 140 E N 4.305 124.495 120.200 -0.017 0.000 2.241 140 E HA 0.435 4.785 4.350 0.000 0.000 0.263 140 E C -1.951 174.473 176.600 -0.294 0.000 0.882 140 E CA -0.865 55.515 56.400 -0.033 0.000 0.769 140 E CB 1.908 31.712 29.700 0.173 0.000 1.185 140 E HN 0.679 nan 8.360 nan 0.000 0.415 141 L N 6.743 127.791 121.223 -0.291 0.000 2.264 141 L HA 0.423 4.763 4.340 0.000 0.000 0.289 141 L C -0.899 175.796 176.870 -0.291 0.000 1.044 141 L CA 0.038 54.649 54.840 -0.382 0.000 0.807 141 L CB 0.544 42.424 42.059 -0.298 0.000 1.192 141 L HN 0.648 nan 8.230 nan 0.000 0.425 142 H N 3.381 122.357 119.070 -0.156 0.000 2.990 142 H HA 0.584 5.140 4.556 0.000 0.000 0.343 142 H C -1.319 173.949 175.328 -0.101 0.000 1.270 142 H CA -1.284 54.688 56.048 -0.127 0.000 1.118 142 H CB 1.485 31.201 29.762 -0.076 0.000 1.861 142 H HN 0.470 nan 8.280 nan 0.000 0.544 143 I N 1.711 122.378 120.570 0.163 0.000 2.389 143 I HA 0.158 4.328 4.170 0.000 0.000 0.288 143 I C -1.002 175.205 176.117 0.150 0.000 0.999 143 I CA -0.374 60.998 61.300 0.120 0.000 1.129 143 I CB 1.444 39.481 38.000 0.062 0.000 1.288 143 I HN 0.562 nan 8.210 nan 0.000 0.444 144 H N 6.055 125.142 119.070 0.029 0.000 2.744 144 H HA 0.296 4.852 4.556 0.000 0.000 0.339 144 H C -0.756 174.579 175.328 0.011 0.000 1.004 144 H CA -0.524 55.509 56.048 -0.025 0.000 1.257 144 H CB 0.990 30.700 29.762 -0.087 0.000 1.552 144 H HN 0.558 nan 8.280 nan 0.000 0.522 145 Q N 3.782 123.378 119.800 -0.340 0.000 2.453 145 Q HA -0.233 4.107 4.340 0.000 0.000 0.294 145 Q C 0.940 176.890 176.000 -0.082 0.000 1.295 145 Q CA 0.964 56.609 55.803 -0.262 0.000 0.853 145 Q CB -1.719 26.791 28.738 -0.380 0.000 1.193 145 Q HN 1.279 nan 8.270 nan 0.000 0.461 146 G N -0.327 108.467 108.800 -0.010 0.000 2.189 146 G HA2 -0.356 3.604 3.960 0.000 0.000 0.267 146 G HA3 -0.356 3.604 3.960 0.000 0.000 0.267 146 G C -0.006 174.943 174.900 0.082 0.000 0.975 146 G CA 0.822 45.953 45.100 0.052 0.000 0.644 146 G HN 0.331 nan 8.290 nan 0.000 0.537 147 K N 0.085 120.530 120.400 0.074 0.000 2.293 147 K HA 0.590 4.910 4.320 0.000 0.000 0.267 147 K C -0.062 176.607 176.600 0.115 0.000 1.010 147 K CA -1.007 55.343 56.287 0.104 0.000 0.875 147 K CB 2.000 34.559 32.500 0.099 0.000 1.106 147 K HN 0.174 nan 8.250 nan 0.000 0.450 148 I N 2.189 122.811 120.570 0.086 0.000 2.588 148 I HA 0.237 4.407 4.170 0.000 0.000 0.283 148 I C 0.276 176.417 176.117 0.039 0.000 1.119 148 I CA 1.032 62.343 61.300 0.019 0.000 1.419 148 I CB 0.568 38.550 38.000 -0.030 0.000 1.394 148 I HN 0.737 nan 8.210 nan 0.000 0.562 149 G N 5.346 114.139 108.800 -0.012 0.000 2.660 149 G HA2 0.624 4.584 3.960 0.000 0.000 0.290 149 G HA3 0.624 4.584 3.960 0.000 0.000 0.290 149 G C -2.067 172.621 174.900 -0.353 0.000 1.432 149 G CA -0.570 44.497 45.100 -0.055 0.000 0.807 149 G HN 0.505 nan 8.290 nan 0.000 0.485 150 V N 0.297 120.029 119.914 -0.302 0.000 2.656 150 V HA 0.692 4.812 4.120 0.000 0.000 0.307 150 V C -0.300 175.625 176.094 -0.282 0.000 1.051 150 V CA -0.839 61.177 62.300 -0.473 0.000 0.893 150 V CB 1.940 33.361 31.823 -0.670 0.000 0.999 150 V HN 0.843 nan 8.190 nan 0.000 0.426 151 K N 4.444 124.685 120.400 -0.265 0.000 2.378 151 K HA 0.778 5.098 4.320 0.000 0.000 0.252 151 K C -1.519 174.977 176.600 -0.172 0.000 0.931 151 K CA -0.482 55.736 56.287 -0.116 0.000 0.794 151 K CB 1.847 34.412 32.500 0.108 0.000 1.181 151 K HN 0.594 nan 8.250 nan 0.000 0.425 152 F N 0.457 120.146 119.950 -0.434 0.000 2.664 152 F HA 0.606 5.133 4.527 0.000 0.000 0.317 152 F C -1.406 173.948 175.800 -0.744 0.000 1.108 152 F CA -1.028 56.520 58.000 -0.752 0.000 0.957 152 F CB 1.592 40.276 39.000 -0.526 0.000 1.365 152 F HN 0.377 nan 8.300 nan 0.000 0.475 153 N N 0.725 119.023 118.700 -0.671 0.000 2.425 153 N HA 0.435 5.175 4.740 0.000 0.000 0.289 153 N C -1.306 174.068 175.510 -0.227 0.000 1.074 153 N CA -0.436 52.368 53.050 -0.411 0.000 0.905 153 N CB 2.524 40.801 38.487 -0.350 0.000 1.586 153 N HN 0.984 nan 8.380 nan 0.000 0.490 154 V N 1.046 120.921 119.914 -0.065 0.000 2.838 154 V HA 0.691 4.811 4.120 0.000 0.000 0.363 154 V C 0.945 177.054 176.094 0.025 0.000 1.324 154 V CA 0.490 62.783 62.300 -0.013 0.000 1.220 154 V CB 0.043 31.890 31.823 0.040 0.000 1.328 154 V HN 0.876 nan 8.190 nan 0.000 0.595 155 G N 0.950 109.757 108.800 0.013 0.000 2.796 155 G HA2 -0.219 3.741 3.960 0.000 0.000 0.198 155 G HA3 -0.219 3.741 3.960 0.000 0.000 0.198 155 G C 0.616 175.522 174.900 0.011 0.000 1.062 155 G CA 0.859 45.974 45.100 0.025 0.000 0.752 155 G HN 1.068 nan 8.290 nan 0.000 0.487 156 T N -0.955 113.595 114.554 -0.006 0.000 2.437 156 T HA 0.507 4.857 4.350 0.000 0.000 0.186 156 T C 0.224 174.907 174.700 -0.028 0.000 0.692 156 T CA 0.749 62.841 62.100 -0.012 0.000 1.890 156 T CB 0.322 69.181 68.868 -0.015 0.000 3.035 156 T HN 0.136 nan 8.240 nan 0.000 0.386 157 D N 1.868 122.238 120.400 -0.050 0.000 2.387 157 D HA 0.386 5.026 4.640 0.000 0.000 0.251 157 D C -0.765 175.456 176.300 -0.131 0.000 1.141 157 D CA -0.302 53.658 54.000 -0.068 0.000 0.987 157 D CB 0.566 41.326 40.800 -0.066 0.000 1.116 157 D HN 0.415 nan 8.370 nan 0.000 0.491 158 D N 0.134 120.458 120.400 -0.126 0.000 2.382 158 D HA 0.308 4.948 4.640 0.000 0.000 0.245 158 D C -0.149 175.966 176.300 -0.308 0.000 1.120 158 D CA 0.171 54.047 54.000 -0.206 0.000 0.890 158 D CB 0.816 41.572 40.800 -0.073 0.000 1.201 158 D HN 0.160 nan 8.370 nan 0.000 0.433 159 I N 1.293 121.524 120.570 -0.566 0.000 2.465 159 I HA 0.565 4.735 4.170 0.000 0.000 0.291 159 I C -0.375 175.421 176.117 -0.535 0.000 1.014 159 I CA -0.833 60.092 61.300 -0.626 0.000 1.093 159 I CB 1.903 39.274 38.000 -1.049 0.000 1.267 159 I HN 0.299 nan 8.210 nan 0.000 0.431 160 A N 7.242 129.910 122.820 -0.252 0.000 2.401 160 A HA 0.898 5.218 4.320 0.000 0.000 0.310 160 A C -1.151 176.422 177.584 -0.018 0.000 1.075 160 A CA -0.574 51.399 52.037 -0.106 0.000 0.746 160 A CB 1.846 20.823 19.000 -0.040 0.000 1.277 160 A HN 0.745 nan 8.150 nan 0.000 0.425 161 I N 1.260 121.857 120.570 0.045 0.000 2.610 161 I HA 0.531 4.701 4.170 0.000 0.000 0.289 161 I C -0.969 175.199 176.117 0.086 0.000 1.163 161 I CA -0.143 61.211 61.300 0.090 0.000 1.044 161 I CB 1.639 39.742 38.000 0.172 0.000 1.251 161 I HN 0.949 nan 8.210 nan 0.000 0.424 162 E N 5.667 125.920 120.200 0.087 0.000 2.393 162 E HA 0.336 4.686 4.350 0.000 0.000 0.273 162 E C -1.489 175.173 176.600 0.103 0.000 0.918 162 E CA -0.683 55.773 56.400 0.094 0.000 0.773 162 E CB 1.941 31.706 29.700 0.108 0.000 1.275 162 E HN 0.459 nan 8.360 nan 0.000 0.451 163 E N 1.756 122.024 120.200 0.115 0.000 1.998 163 E HA 0.219 4.569 4.350 0.000 0.000 0.257 163 E C -0.777 175.915 176.600 0.154 0.000 1.038 163 E CA -0.140 56.351 56.400 0.151 0.000 0.869 163 E CB 0.263 30.063 29.700 0.168 0.000 1.135 163 E HN 0.456 nan 8.360 nan 0.000 0.430 164 S N 3.379 119.151 115.700 0.120 0.000 2.603 164 S HA 0.050 4.520 4.470 0.000 0.000 0.220 164 S C 1.086 175.729 174.600 0.072 0.000 0.967 164 S CA -0.049 58.207 58.200 0.093 0.000 0.920 164 S CB -0.003 63.241 63.200 0.073 0.000 0.773 164 S HN 0.494 nan 8.310 nan 0.000 0.529 165 N N 1.560 120.306 118.700 0.076 0.000 2.395 165 N HA 0.187 4.927 4.740 0.000 0.000 0.175 165 N C 0.350 175.844 175.510 -0.027 0.000 1.029 165 N CA 0.420 53.478 53.050 0.013 0.000 0.897 165 N CB 0.272 38.750 38.487 -0.015 0.000 0.991 165 N HN 0.350 nan 8.380 nan 0.000 0.441 166 A N 0.683 123.520 122.820 0.028 0.000 2.549 166 A HA 0.562 4.882 4.320 0.000 0.000 0.297 166 A C -0.407 177.275 177.584 0.162 0.000 1.061 166 A CA -0.788 51.247 52.037 -0.004 0.000 0.690 166 A CB 1.020 19.826 19.000 -0.324 0.000 1.287 166 A HN 0.083 nan 8.150 nan 0.000 0.402 167 I N -0.323 120.322 120.570 0.124 0.000 3.079 167 I HA 0.603 4.773 4.170 0.000 0.000 0.295 167 I C 0.508 176.735 176.117 0.183 0.000 1.094 167 I CA -0.012 61.373 61.300 0.142 0.000 1.295 167 I CB 0.220 38.280 38.000 0.101 0.000 1.443 167 I HN 0.602 nan 8.210 nan 0.000 0.607 168 I N -0.995 119.669 120.570 0.157 0.000 4.541 168 I HA 0.317 4.487 4.170 0.000 0.000 0.337 168 I C 0.348 176.648 176.117 0.305 0.000 1.338 168 I CA 0.051 61.401 61.300 0.084 0.000 1.244 168 I CB -0.772 37.214 38.000 -0.022 0.000 1.417 168 I HN 0.618 nan 8.210 nan 0.000 0.501 169 N N 1.715 120.568 118.700 0.254 0.000 2.843 169 N HA -0.001 4.739 4.740 0.000 0.000 0.284 169 N C -0.221 175.410 175.510 0.202 0.000 1.274 169 N CA 0.127 53.326 53.050 0.248 0.000 1.045 169 N CB -0.474 38.113 38.487 0.167 0.000 1.370 169 N HN 0.551 nan 8.380 nan 0.000 0.525 170 D N -1.722 118.824 120.400 0.244 0.000 2.615 170 D HA 0.212 4.852 4.640 0.000 0.000 0.236 170 D C 1.187 177.579 176.300 0.154 0.000 1.233 170 D CA -0.412 53.701 54.000 0.187 0.000 0.829 170 D CB -0.363 40.562 40.800 0.207 0.000 1.024 170 D HN 0.266 nan 8.370 nan 0.000 0.490 171 G N 0.439 109.332 108.800 0.154 0.000 2.205 171 G HA2 -0.405 3.555 3.960 0.000 0.000 0.269 171 G HA3 -0.405 3.555 3.960 0.000 0.000 0.269 171 G C 0.390 175.343 174.900 0.088 0.000 0.977 171 G CA 0.901 46.073 45.100 0.119 0.000 0.652 171 G HN 0.662 nan 8.290 nan 0.000 0.539 172 K N -0.598 119.819 120.400 0.028 0.000 2.090 172 K HA 0.547 4.867 4.320 0.000 0.000 0.249 172 K C 0.010 176.413 176.600 -0.329 0.000 0.995 172 K CA -1.074 55.138 56.287 -0.126 0.000 0.914 172 K CB 0.585 32.959 32.500 -0.210 0.000 1.057 172 K HN 0.094 nan 8.250 nan 0.000 0.462 173 Y N 2.745 122.787 120.300 -0.430 0.000 2.359 173 Y HA 0.140 4.690 4.550 0.000 0.000 0.330 173 Y C -0.651 174.762 175.900 -0.811 0.000 1.143 173 Y CA 0.363 58.147 58.100 -0.527 0.000 1.318 173 Y CB 0.477 38.709 38.460 -0.380 0.000 1.234 173 Y HN 0.523 nan 8.280 nan 0.000 0.522 174 H N 3.684 121.992 119.070 -1.270 0.000 2.980 174 H HA 0.576 5.132 4.556 0.000 0.000 0.367 174 H C -1.330 173.249 175.328 -1.248 0.000 1.206 174 H CA -0.805 54.561 56.048 -1.136 0.000 1.126 174 H CB 1.822 30.917 29.762 -1.112 0.000 1.838 174 H HN 0.473 nan 8.280 nan 0.000 0.552 175 V N 1.851 121.426 119.914 -0.564 0.000 2.604 175 V HA 0.321 4.441 4.120 0.000 0.000 0.305 175 V C -0.381 175.627 176.094 -0.144 0.000 1.043 175 V CA -0.777 61.323 62.300 -0.333 0.000 0.888 175 V CB 2.392 34.087 31.823 -0.214 0.000 0.995 175 V HN 0.445 nan 8.190 nan 0.000 0.429 176 V N 6.475 126.396 119.914 0.012 0.000 2.531 176 V HA 0.653 4.773 4.120 0.000 0.000 0.301 176 V C -0.543 175.577 176.094 0.045 0.000 1.034 176 V CA -0.517 61.806 62.300 0.037 0.000 0.865 176 V CB 1.877 33.769 31.823 0.115 0.000 0.995 176 V HN 0.932 nan 8.190 nan 0.000 0.424 177 R N 5.745 126.266 120.500 0.036 0.000 2.437 177 R HA 0.553 4.893 4.340 0.000 0.000 0.310 177 R C -1.542 174.830 176.300 0.121 0.000 0.955 177 R CA -0.400 55.738 56.100 0.064 0.000 0.851 177 R CB 2.335 32.638 30.300 0.004 0.000 1.161 177 R HN 0.677 nan 8.270 nan 0.000 0.446 178 F N 1.019 120.967 119.950 -0.004 0.000 2.532 178 F HA 0.545 5.072 4.527 0.000 0.000 0.321 178 F C -0.919 174.868 175.800 -0.022 0.000 1.089 178 F CA -0.295 57.695 58.000 -0.017 0.000 0.926 178 F CB 2.466 41.456 39.000 -0.017 0.000 1.168 178 F HN 0.281 nan 8.300 nan 0.000 0.459 179 T N 5.858 119.712 114.554 -1.167 0.000 2.916 179 T HA 0.466 4.816 4.350 0.000 0.000 0.298 179 T C -1.589 172.421 174.700 -1.150 0.000 1.031 179 T CA -0.720 60.858 62.100 -0.870 0.000 0.993 179 T CB 1.632 70.252 68.868 -0.413 0.000 1.045 179 T HN 0.758 nan 8.240 nan 0.000 0.454 180 R N 1.711 121.775 120.500 -0.727 0.000 2.532 180 R HA 0.649 4.989 4.340 0.000 0.000 0.297 180 R C -1.416 174.709 176.300 -0.291 0.000 0.984 180 R CA -0.490 55.283 56.100 -0.544 0.000 0.884 180 R CB 1.502 31.470 30.300 -0.554 0.000 1.182 180 R HN 0.580 nan 8.270 nan 0.000 0.442 181 S N 3.210 118.784 115.700 -0.210 0.000 2.718 181 S HA 0.508 4.978 4.470 0.000 0.000 0.294 181 S C 0.497 175.055 174.600 -0.069 0.000 1.157 181 S CA 0.520 58.651 58.200 -0.114 0.000 1.121 181 S CB 0.854 64.005 63.200 -0.082 0.000 1.015 181 S HN 1.057 nan 8.310 nan 0.000 0.479 182 G N 4.581 113.352 108.800 -0.049 0.000 2.602 182 G HA2 -0.314 3.646 3.960 0.000 0.000 0.310 182 G HA3 -0.314 3.646 3.960 0.000 0.000 0.310 182 G C 0.947 175.855 174.900 0.014 0.000 1.183 182 G CA 0.394 45.490 45.100 -0.007 0.000 0.979 182 G HN 1.491 nan 8.290 nan 0.000 0.545 183 G N 0.623 109.453 108.800 0.049 0.000 2.986 183 G HA2 0.302 4.262 3.960 0.000 0.000 0.213 183 G HA3 0.302 4.262 3.960 0.000 0.000 0.213 183 G C 0.522 175.475 174.900 0.089 0.000 1.156 183 G CA 0.734 45.901 45.100 0.111 0.000 0.763 183 G HN 0.658 nan 8.290 nan 0.000 0.547 184 N N 1.257 119.951 118.700 -0.009 0.000 2.530 184 N HA 0.547 5.287 4.740 0.000 0.000 0.273 184 N C -0.176 175.221 175.510 -0.189 0.000 1.173 184 N CA 0.133 53.089 53.050 -0.156 0.000 0.967 184 N CB 1.808 40.181 38.487 -0.190 0.000 1.109 184 N HN 0.201 nan 8.380 nan 0.000 0.453 185 A N 0.805 123.489 122.820 -0.227 0.000 2.469 185 A HA 0.812 5.132 4.320 0.000 0.000 0.299 185 A C -0.479 176.945 177.584 -0.268 0.000 1.098 185 A CA -0.523 51.386 52.037 -0.214 0.000 0.737 185 A CB 1.595 20.709 19.000 0.190 0.000 1.312 185 A HN 0.465 nan 8.150 nan 0.000 0.414 186 T N 0.586 114.941 114.554 -0.332 0.000 2.933 186 T HA 0.599 4.949 4.350 0.000 0.000 0.305 186 T C -1.763 172.863 174.700 -0.124 0.000 1.092 186 T CA -0.195 61.781 62.100 -0.208 0.000 1.008 186 T CB 1.212 69.948 68.868 -0.220 0.000 1.102 186 T HN 0.829 nan 8.240 nan 0.000 0.469 187 L N 3.235 124.465 121.223 0.012 0.000 2.455 187 L HA 0.720 5.060 4.340 0.000 0.000 0.264 187 L C -1.272 175.629 176.870 0.053 0.000 0.968 187 L CA -0.225 54.671 54.840 0.092 0.000 0.827 187 L CB 2.167 44.323 42.059 0.162 0.000 1.317 187 L HN 0.714 nan 8.230 nan 0.000 0.407 188 Q N 3.481 123.299 119.800 0.031 0.000 2.268 188 Q HA 0.653 4.993 4.340 0.000 0.000 0.266 188 Q C -2.150 173.800 176.000 -0.085 0.000 1.006 188 Q CA -0.680 55.121 55.803 -0.004 0.000 0.824 188 Q CB 2.348 31.080 28.738 -0.010 0.000 1.306 188 Q HN 0.523 nan 8.270 nan 0.000 0.424 189 V N 4.958 124.752 119.914 -0.201 0.000 2.394 189 V HA 0.256 4.376 4.120 0.000 0.000 0.282 189 V C 0.251 175.899 176.094 -0.744 0.000 1.031 189 V CA 0.026 62.033 62.300 -0.488 0.000 0.881 189 V CB 1.312 32.666 31.823 -0.781 0.000 0.982 189 V HN 1.073 nan 8.190 nan 0.000 0.451 190 D N 3.552 123.624 120.400 -0.547 0.000 3.899 190 D HA -0.263 4.377 4.640 0.000 0.000 0.146 190 D C 1.097 177.256 176.300 -0.235 0.000 0.820 190 D CA 2.004 55.762 54.000 -0.404 0.000 1.056 190 D CB -0.700 39.798 40.800 -0.503 0.000 0.474 190 D HN 0.631 nan 8.370 nan 0.000 0.457 191 S N -0.340 115.278 115.700 -0.137 0.000 2.749 191 S HA 0.142 4.612 4.470 0.000 0.000 0.246 191 S C -0.260 174.484 174.600 0.241 0.000 1.023 191 S CA -0.649 57.588 58.200 0.062 0.000 1.012 191 S CB 0.251 63.516 63.200 0.109 0.000 0.942 191 S HN 0.218 nan 8.310 nan 0.000 0.531 192 W N 2.957 124.270 121.300 0.021 0.000 2.079 192 W HA 0.327 4.987 4.660 0.000 0.000 0.354 192 W C -2.602 173.928 176.519 0.019 0.000 1.302 192 W CA -2.914 54.442 57.345 0.019 0.000 1.281 192 W CB -1.391 28.078 29.460 0.015 0.000 1.165 192 W HN -0.002 nan 8.180 nan 0.000 0.603 193 P HA -0.015 nan 4.420 nan 0.000 0.265 193 P C -0.155 177.229 177.300 0.141 0.000 1.193 193 P CA -0.024 63.168 63.100 0.153 0.000 0.765 193 P CB 0.287 32.055 31.700 0.113 0.000 0.823 194 V N 4.980 124.951 119.914 0.095 0.000 2.763 194 V HA 0.003 4.123 4.120 0.000 0.000 0.306 194 V C 0.811 176.950 176.094 0.076 0.000 1.059 194 V CA 0.498 62.840 62.300 0.070 0.000 1.138 194 V CB -0.044 31.806 31.823 0.045 0.000 0.940 194 V HN 0.365 nan 8.190 nan 0.000 0.489 195 I N 4.728 125.339 120.570 0.068 0.000 2.354 195 I HA 0.435 4.605 4.170 0.000 0.000 0.292 195 I C 0.048 176.186 176.117 0.035 0.000 0.989 195 I CA -0.263 61.078 61.300 0.068 0.000 1.188 195 I CB 1.223 39.272 38.000 0.083 0.000 1.342 195 I HN 0.667 nan 8.210 nan 0.000 0.457 196 E N 6.362 126.586 120.200 0.040 0.000 2.222 196 E HA 0.537 4.887 4.350 0.000 0.000 0.267 196 E C -0.851 175.713 176.600 -0.061 0.000 0.884 196 E CA -1.012 55.368 56.400 -0.033 0.000 0.764 196 E CB 3.029 32.797 29.700 0.112 0.000 1.169 196 E HN 0.408 nan 8.360 nan 0.000 0.413 197 R N 3.120 123.468 120.500 -0.254 0.000 2.473 197 R HA 0.292 4.632 4.340 0.000 0.000 0.303 197 R C -1.740 174.357 176.300 -0.337 0.000 1.002 197 R CA -0.513 55.501 56.100 -0.143 0.000 0.884 197 R CB 0.724 31.001 30.300 -0.038 0.000 1.173 197 R HN 0.523 nan 8.270 nan 0.000 0.464 198 Y N 4.743 125.063 120.300 0.033 0.000 2.328 198 Y HA 0.387 4.937 4.550 0.000 0.000 0.337 198 Y C -1.469 174.445 175.900 0.024 0.000 0.966 198 Y CA -1.982 56.134 58.100 0.027 0.000 1.136 198 Y CB 1.200 39.670 38.460 0.016 0.000 1.170 198 Y HN 0.509 nan 8.280 nan 0.000 0.470 199 P HA 0.492 nan 4.420 nan 0.000 0.276 199 P C -0.698 176.651 177.300 0.082 0.000 1.261 199 P CA -0.400 62.747 63.100 0.080 0.000 0.800 199 P CB 1.464 33.195 31.700 0.052 0.000 1.066 232 R N 0.561 121.073 120.500 0.021 0.000 2.491 232 R HA 0.389 4.729 4.340 0.000 0.000 0.283 232 R C -0.616 175.699 176.300 0.024 0.000 1.072 232 R CA -0.091 56.022 56.100 0.022 0.000 1.048 232 R CB 0.715 31.025 30.300 0.017 0.000 0.983 232 R HN 0.347 nan 8.270 nan 0.000 0.450 233 Q N 2.739 122.556 119.800 0.029 0.000 2.365 233 Q HA 0.353 4.693 4.340 0.000 0.000 0.269 233 Q C -0.248 175.772 176.000 0.033 0.000 1.061 233 Q CA -0.764 55.060 55.803 0.034 0.000 0.816 233 Q CB 2.384 31.150 28.738 0.046 0.000 1.325 233 Q HN 0.468 nan 8.270 nan 0.000 0.446 234 L N 0.484 121.728 121.223 0.035 0.000 2.436 234 L HA 0.263 4.603 4.340 0.000 0.000 0.265 234 L C 1.192 178.090 176.870 0.046 0.000 1.168 234 L CA 0.177 55.039 54.840 0.036 0.000 0.815 234 L CB 0.602 42.682 42.059 0.035 0.000 1.109 234 L HN 0.677 nan 8.230 nan 0.000 0.462 235 T N 1.562 116.141 114.554 0.042 0.000 2.986 235 T HA 0.383 4.733 4.350 0.000 0.000 0.264 235 T C 0.315 175.043 174.700 0.047 0.000 0.964 235 T CA -0.141 61.983 62.100 0.039 0.000 0.895 235 T CB 0.217 69.100 68.868 0.026 0.000 1.163 235 T HN 0.240 nan 8.240 nan 0.000 0.517 236 I N 2.122 122.729 120.570 0.061 0.000 2.354 236 I HA 0.392 4.562 4.170 0.000 0.000 0.292 236 I C -0.856 175.363 176.117 0.170 0.000 0.989 236 I CA -1.042 60.310 61.300 0.088 0.000 1.188 236 I CB 1.311 39.346 38.000 0.058 0.000 1.342 236 I HN 0.071 nan 8.210 nan 0.000 0.457 237 F N 6.669 126.612 119.950 -0.012 0.000 2.375 237 F HA 0.356 4.883 4.527 0.000 0.000 0.362 237 F C 0.010 175.800 175.800 -0.016 0.000 1.129 237 F CA -1.270 56.730 58.000 0.001 0.000 1.154 237 F CB -0.182 38.821 39.000 0.004 0.000 1.205 237 F HN 0.434 nan 8.300 nan 0.000 0.513 238 N N 3.077 121.975 118.700 0.330 0.000 2.458 238 N HA 0.136 4.876 4.740 0.000 0.000 0.270 238 N C 0.134 175.616 175.510 -0.047 0.000 1.102 238 N CA 0.286 53.386 53.050 0.082 0.000 0.967 238 N CB 0.775 39.315 38.487 0.089 0.000 1.078 238 N HN 0.621 nan 8.380 nan 0.000 0.471 239 S N 1.345 116.957 115.700 -0.148 0.000 3.484 239 S HA -0.247 4.223 4.470 0.000 0.000 0.384 239 S C -0.450 174.001 174.600 -0.248 0.000 0.932 239 S CA 0.118 58.210 58.200 -0.180 0.000 1.293 239 S CB -1.207 61.950 63.200 -0.073 0.000 0.919 239 S HN 0.589 nan 8.310 nan 0.000 0.540 240 Q N 1.306 120.811 119.800 -0.493 0.000 2.255 240 Q HA 0.394 4.734 4.340 0.000 0.000 0.280 240 Q C 1.268 177.119 176.000 -0.248 0.000 1.068 240 Q CA 0.569 56.051 55.803 -0.535 0.000 0.911 240 Q CB 0.710 28.896 28.738 -0.921 0.000 1.157 240 Q HN 0.671 nan 8.270 nan 0.000 0.380 241 A N 2.986 125.860 122.820 0.090 0.000 1.963 241 A HA 0.104 4.424 4.320 0.000 0.000 0.207 241 A C 0.755 178.595 177.584 0.427 0.000 1.243 241 A CA 1.047 53.234 52.037 0.250 0.000 0.728 241 A CB 0.529 19.601 19.000 0.121 0.000 0.895 241 A HN 0.698 nan 8.150 nan 0.000 0.467 242 T N -2.368 112.386 114.554 0.333 0.000 2.903 242 T HA 0.701 5.051 4.350 0.000 0.000 0.299 242 T C -0.926 173.859 174.700 0.141 0.000 1.093 242 T CA -0.487 61.718 62.100 0.175 0.000 1.002 242 T CB 1.453 70.359 68.868 0.062 0.000 1.127 242 T HN 0.154 nan 8.240 nan 0.000 0.488 243 I N 2.346 122.909 120.570 -0.013 0.000 2.390 243 I HA 0.415 4.585 4.170 0.000 0.000 0.283 243 I C -0.671 175.407 176.117 -0.064 0.000 1.016 243 I CA -0.855 60.397 61.300 -0.080 0.000 1.151 243 I CB 1.235 39.118 38.000 -0.194 0.000 1.293 243 I HN 0.539 nan 8.210 nan 0.000 0.458 244 I N 7.288 127.828 120.570 -0.050 0.000 2.330 244 I HA 0.397 4.567 4.170 0.000 0.000 0.289 244 I C -0.279 175.800 176.117 -0.063 0.000 1.001 244 I CA -0.437 60.838 61.300 -0.041 0.000 1.193 244 I CB 1.293 39.281 38.000 -0.020 0.000 1.345 244 I HN 0.403 nan 8.210 nan 0.000 0.461 245 I N 5.684 126.223 120.570 -0.051 0.000 2.354 245 I HA 0.551 4.721 4.170 0.000 0.000 0.292 245 I C 0.964 177.051 176.117 -0.049 0.000 0.989 245 I CA 0.036 61.283 61.300 -0.087 0.000 1.188 245 I CB 1.478 39.446 38.000 -0.053 0.000 1.342 245 I HN 0.874 nan 8.210 nan 0.000 0.457 246 G N 3.432 112.096 108.800 -0.227 0.000 2.421 246 G HA2 -0.086 3.874 3.960 0.000 0.000 0.188 246 G HA3 -0.086 3.874 3.960 0.000 0.000 0.188 246 G C 1.011 175.889 174.900 -0.036 0.000 1.001 246 G CA -0.155 44.829 45.100 -0.194 0.000 0.693 246 G HN 1.291 nan 8.290 nan 0.000 0.479 247 G N 0.512 109.289 108.800 -0.037 0.000 2.196 247 G HA2 -0.403 3.557 3.960 0.000 0.000 0.268 247 G HA3 -0.403 3.557 3.960 0.000 0.000 0.268 247 G C 1.169 176.085 174.900 0.027 0.000 0.975 247 G CA 1.819 46.917 45.100 -0.003 0.000 0.648 247 G HN 1.092 nan 8.290 nan 0.000 0.538 248 K N 0.337 120.770 120.400 0.055 0.000 2.032 248 K HA -0.122 4.198 4.320 0.000 0.000 0.209 248 K C 2.179 178.796 176.600 0.027 0.000 1.048 248 K CA 1.927 58.247 56.287 0.055 0.000 0.927 248 K CB -0.236 32.310 32.500 0.077 0.000 0.712 248 K HN 0.516 nan 8.250 nan 0.000 0.441 249 E N -0.080 120.130 120.200 0.018 0.000 2.153 249 E HA -0.209 4.141 4.350 0.000 0.000 0.194 249 E C 1.556 178.150 176.600 -0.011 0.000 0.988 249 E CA 1.172 57.573 56.400 0.003 0.000 0.811 249 E CB 0.205 29.904 29.700 -0.001 0.000 0.746 249 E HN 0.279 nan 8.360 nan 0.000 0.466 250 Q N -1.146 118.646 119.800 -0.015 0.000 2.444 250 Q HA 0.145 4.485 4.340 0.000 0.000 0.206 250 Q C 1.015 177.001 176.000 -0.023 0.000 0.948 250 Q CA 0.759 56.544 55.803 -0.030 0.000 0.946 250 Q CB 0.772 29.489 28.738 -0.035 0.000 1.027 250 Q HN 0.409 nan 8.270 nan 0.000 0.513 251 G N 0.140 108.936 108.800 -0.008 0.000 2.159 251 G HA2 -0.311 3.649 3.960 0.000 0.000 0.256 251 G HA3 -0.311 3.649 3.960 0.000 0.000 0.256 251 G C 0.014 174.916 174.900 0.003 0.000 0.977 251 G CA 0.072 45.170 45.100 -0.004 0.000 0.652 251 G HN 0.387 nan 8.290 nan 0.000 0.531 252 Q N 0.248 120.054 119.800 0.010 0.000 3.122 252 Q HA 0.297 4.637 4.340 0.000 0.000 0.282 252 Q C -2.800 173.228 176.000 0.047 0.000 0.947 252 Q CA -1.889 53.927 55.803 0.022 0.000 0.812 252 Q CB 2.052 30.797 28.738 0.012 0.000 1.333 252 Q HN 0.242 nan 8.270 nan 0.000 0.430 253 P HA -0.119 nan 4.420 nan 0.000 0.262 253 P C -0.842 176.524 177.300 0.110 0.000 1.182 253 P CA 0.184 63.338 63.100 0.090 0.000 0.761 253 P CB 0.243 31.991 31.700 0.080 0.000 0.795 254 F N 3.654 123.577 119.950 -0.045 0.000 2.384 254 F HA 0.299 4.826 4.527 0.000 0.000 0.338 254 F C 0.124 175.942 175.800 0.030 0.000 1.103 254 F CA 0.040 57.990 58.000 -0.083 0.000 1.157 254 F CB 0.954 39.781 39.000 -0.288 0.000 1.167 254 F HN 0.256 nan 8.300 nan 0.000 0.529 255 Q N 4.556 123.856 119.800 -0.833 0.000 2.309 255 Q HA 0.618 4.958 4.340 0.000 0.000 0.270 255 Q C -0.275 175.206 176.000 -0.866 0.000 1.023 255 Q CA -0.581 54.911 55.803 -0.519 0.000 0.758 255 Q CB 1.925 30.524 28.738 -0.232 0.000 1.247 255 Q HN 1.090 nan 8.270 nan 0.000 0.455 256 G N 1.893 110.448 108.800 -0.408 0.000 2.334 256 G HA2 -0.028 3.932 3.960 0.000 0.000 0.249 256 G HA3 -0.028 3.932 3.960 0.000 0.000 0.249 256 G C -1.658 173.495 174.900 0.421 0.000 1.327 256 G CA -0.839 44.207 45.100 -0.090 0.000 0.979 256 G HN 0.423 nan 8.290 nan 0.000 0.471 257 Q N -0.496 119.667 119.800 0.605 0.000 2.345 257 Q HA 0.769 5.109 4.340 0.000 0.000 0.268 257 Q C -0.859 175.600 176.000 0.764 0.000 1.054 257 Q CA -0.608 55.585 55.803 0.649 0.000 0.835 257 Q CB 2.572 31.515 28.738 0.341 0.000 1.339 257 Q HN 0.462 nan 8.270 nan 0.000 0.447 258 L N 1.421 123.020 121.223 0.628 0.000 2.410 258 L HA 0.691 5.031 4.340 0.000 0.000 0.270 258 L C -0.652 176.485 176.870 0.445 0.000 0.983 258 L CA -0.582 54.498 54.840 0.400 0.000 0.822 258 L CB 2.060 44.214 42.059 0.159 0.000 1.285 258 L HN 0.767 nan 8.230 nan 0.000 0.409 259 S N -0.229 115.694 115.700 0.372 0.000 2.596 259 S HA 0.719 5.189 4.470 0.000 0.000 0.270 259 S C 0.268 175.019 174.600 0.251 0.000 1.155 259 S CA -0.184 58.224 58.200 0.346 0.000 0.827 259 S CB 1.788 65.241 63.200 0.422 0.000 1.130 259 S HN 1.148 nan 8.310 nan 0.000 0.467 260 G N 0.190 109.121 108.800 0.218 0.000 2.356 260 G HA2 -0.196 3.764 3.960 0.000 0.000 0.296 260 G HA3 -0.196 3.764 3.960 0.000 0.000 0.296 260 G C -0.209 174.798 174.900 0.178 0.000 1.022 260 G CA 0.365 45.573 45.100 0.180 0.000 0.961 260 G HN 1.434 nan 8.290 nan 0.000 0.510 261 L N 0.520 121.842 121.223 0.165 0.000 2.418 261 L HA 0.662 5.002 4.340 0.000 0.000 0.274 261 L C -0.158 176.823 176.870 0.186 0.000 1.135 261 L CA -1.163 53.765 54.840 0.147 0.000 0.870 261 L CB 0.278 42.388 42.059 0.084 0.000 1.154 261 L HN 0.283 nan 8.230 nan 0.000 0.462 262 Y N 5.968 126.317 120.300 0.081 0.000 2.331 262 Y HA 0.468 5.018 4.550 0.000 0.000 0.334 262 Y C -1.819 174.171 175.900 0.150 0.000 0.960 262 Y CA -0.830 57.318 58.100 0.080 0.000 1.130 262 Y CB 1.163 39.654 38.460 0.051 0.000 1.164 262 Y HN 0.647 nan 8.280 nan 0.000 0.458 263 Y N 6.913 126.932 120.300 -0.469 0.000 2.322 263 Y HA 0.334 4.884 4.550 0.000 0.000 0.324 263 Y C -0.366 175.294 175.900 -0.400 0.000 1.027 263 Y CA -1.442 56.499 58.100 -0.265 0.000 1.179 263 Y CB 0.600 39.002 38.460 -0.096 0.000 1.136 263 Y HN 0.830 nan 8.280 nan 0.000 0.449 264 N N 4.492 122.670 118.700 -0.870 0.000 2.699 264 N HA -0.216 4.524 4.740 0.000 0.000 0.256 264 N C 1.060 176.272 175.510 -0.497 0.000 0.993 264 N CA 1.912 54.594 53.050 -0.612 0.000 0.759 264 N CB -1.057 37.037 38.487 -0.654 0.000 0.906 264 N HN 1.382 nan 8.380 nan 0.000 0.541 265 G N -2.025 106.267 108.800 -0.846 0.000 2.225 265 G HA2 -0.314 3.646 3.960 0.000 0.000 0.254 265 G HA3 -0.314 3.646 3.960 0.000 0.000 0.254 265 G C 0.039 174.689 174.900 -0.416 0.000 0.988 265 G CA 0.352 45.181 45.100 -0.452 0.000 0.625 265 G HN 0.419 nan 8.290 nan 0.000 0.527 266 L N 0.682 121.615 121.223 -0.483 0.000 2.276 266 L HA 0.445 4.785 4.340 0.000 0.000 0.286 266 L C 0.464 177.169 176.870 -0.276 0.000 1.061 266 L CA -0.455 54.198 54.840 -0.311 0.000 0.807 266 L CB 1.376 43.248 42.059 -0.311 0.000 1.177 266 L HN 0.023 nan 8.230 nan 0.000 0.429 267 K N 2.867 123.187 120.400 -0.133 0.000 2.265 267 K HA 0.159 4.479 4.320 0.000 0.000 0.242 267 K C 1.014 177.583 176.600 -0.051 0.000 1.137 267 K CA -0.316 55.962 56.287 -0.016 0.000 1.082 267 K CB 0.980 33.519 32.500 0.065 0.000 1.731 267 K HN 0.451 nan 8.250 nan 0.000 0.392 268 V N 1.724 121.579 119.914 -0.098 0.000 2.282 268 V HA -0.336 3.784 4.120 0.000 0.000 0.249 268 V C 2.014 178.089 176.094 -0.033 0.000 1.057 268 V CA 1.759 63.980 62.300 -0.130 0.000 1.032 268 V CB -0.531 31.199 31.823 -0.155 0.000 0.645 268 V HN 0.681 nan 8.190 nan 0.000 0.447 269 L N -0.155 121.095 121.223 0.046 0.000 2.093 269 L HA -0.167 4.173 4.340 0.000 0.000 0.208 269 L C 2.356 179.348 176.870 0.203 0.000 1.085 269 L CA 1.814 56.745 54.840 0.151 0.000 0.755 269 L CB -0.844 41.373 42.059 0.263 0.000 0.904 269 L HN 0.467 nan 8.230 nan 0.000 0.435 270 N N -0.008 118.770 118.700 0.128 0.000 2.084 270 N HA -0.181 4.559 4.740 0.000 0.000 0.190 270 N C 1.985 177.545 175.510 0.083 0.000 1.030 270 N CA 1.208 54.322 53.050 0.105 0.000 0.849 270 N CB -0.110 38.420 38.487 0.071 0.000 1.012 270 N HN 0.303 nan 8.380 nan 0.000 0.423 271 M N 0.792 120.416 119.600 0.040 0.000 2.149 271 M HA -0.136 4.344 4.480 0.000 0.000 0.261 271 M C 2.408 178.742 176.300 0.056 0.000 1.064 271 M CA 1.238 56.554 55.300 0.026 0.000 1.102 271 M CB -0.261 32.319 32.600 -0.033 0.000 1.369 271 M HN 0.222 nan 8.290 nan 0.000 0.408 272 A N 0.230 123.090 122.820 0.066 0.000 1.930 272 A HA -0.003 4.317 4.320 0.000 0.000 0.217 272 A C 2.310 179.991 177.584 0.162 0.000 1.175 272 A CA 1.779 53.859 52.037 0.071 0.000 0.627 272 A CB -0.791 18.182 19.000 -0.045 0.000 0.815 272 A HN 0.504 nan 8.150 nan 0.000 0.443 273 A N -0.529 122.425 122.820 0.223 0.000 2.119 273 A HA -0.005 4.315 4.320 0.000 0.000 0.217 273 A C 1.602 179.241 177.584 0.092 0.000 1.153 273 A CA 1.229 53.374 52.037 0.180 0.000 0.692 273 A CB -0.274 18.810 19.000 0.139 0.000 0.799 273 A HN 0.602 nan 8.150 nan 0.000 0.458 274 E N -0.521 119.725 120.200 0.076 0.000 2.444 274 E HA 0.035 4.385 4.350 0.000 0.000 0.191 274 E C -0.106 176.522 176.600 0.046 0.000 1.041 274 E CA -0.229 56.200 56.400 0.050 0.000 0.883 274 E CB -0.020 29.705 29.700 0.042 0.000 1.024 274 E HN 0.531 nan 8.360 nan 0.000 0.470 275 N N 2.609 121.342 118.700 0.056 0.000 2.696 275 N HA -0.201 4.539 4.740 0.000 0.000 0.256 275 N C -1.041 174.490 175.510 0.035 0.000 1.031 275 N CA 0.526 53.602 53.050 0.043 0.000 0.730 275 N CB -0.887 37.621 38.487 0.035 0.000 0.894 275 N HN 0.275 nan 8.380 nan 0.000 0.544 276 D N -0.062 120.364 120.400 0.043 0.000 2.414 276 D HA 0.208 4.848 4.640 0.000 0.000 0.242 276 D C 1.319 177.638 176.300 0.031 0.000 1.129 276 D CA 0.655 54.683 54.000 0.047 0.000 0.885 276 D CB 1.007 41.852 40.800 0.076 0.000 1.198 276 D HN 0.472 nan 8.370 nan 0.000 0.437 277 A N 4.658 127.489 122.820 0.019 0.000 2.024 277 A HA -0.195 4.125 4.320 0.000 0.000 0.220 277 A C 1.507 179.065 177.584 -0.043 0.000 1.164 277 A CA 1.022 53.055 52.037 -0.007 0.000 0.643 277 A CB -0.180 18.817 19.000 -0.005 0.000 0.806 277 A HN 0.683 nan 8.150 nan 0.000 0.451 278 N N -0.329 118.332 118.700 -0.066 0.000 2.362 278 N HA 0.212 4.952 4.740 0.000 0.000 0.204 278 N C -0.256 175.109 175.510 -0.242 0.000 1.166 278 N CA 0.327 53.247 53.050 -0.217 0.000 0.831 278 N CB 0.389 38.629 38.487 -0.411 0.000 1.008 278 N HN 0.454 nan 8.380 nan 0.000 0.472 279 I N 0.539 121.063 120.570 -0.078 0.000 2.603 279 I HA 0.504 4.674 4.170 0.000 0.000 0.300 279 I C -0.478 175.610 176.117 -0.049 0.000 1.017 279 I CA -0.908 60.367 61.300 -0.042 0.000 1.098 279 I CB 2.024 40.043 38.000 0.031 0.000 1.279 279 I HN -0.134 nan 8.210 nan 0.000 0.437 280 A N 7.178 129.965 122.820 -0.054 0.000 2.398 280 A HA 0.775 5.095 4.320 0.000 0.000 0.301 280 A C -0.968 176.589 177.584 -0.044 0.000 1.041 280 A CA -0.455 51.556 52.037 -0.044 0.000 0.711 280 A CB 1.193 20.165 19.000 -0.047 0.000 1.240 280 A HN 0.596 nan 8.150 nan 0.000 0.420 281 I N 1.918 122.465 120.570 -0.038 0.000 2.493 281 I HA 0.688 4.858 4.170 0.000 0.000 0.298 281 I C -0.735 175.365 176.117 -0.029 0.000 0.998 281 I CA -1.015 60.256 61.300 -0.049 0.000 1.137 281 I CB 1.913 39.881 38.000 -0.052 0.000 1.310 281 I HN 0.346 nan 8.210 nan 0.000 0.445 282 V N 3.563 123.461 119.914 -0.025 0.000 2.969 282 V HA 0.818 4.938 4.120 0.000 0.000 0.304 282 V C 0.215 176.308 176.094 -0.003 0.000 1.192 282 V CA 0.144 62.438 62.300 -0.009 0.000 0.962 282 V CB 1.760 33.583 31.823 -0.000 0.000 1.045 282 V HN 1.138 nan 8.190 nan 0.000 0.428 283 G N 3.774 112.574 108.800 -0.000 0.000 2.615 283 G HA2 -0.191 3.769 3.960 0.000 0.000 0.218 283 G HA3 -0.191 3.769 3.960 0.000 0.000 0.218 283 G C -0.198 174.697 174.900 -0.010 0.000 1.339 283 G CA 0.113 45.218 45.100 0.008 0.000 0.884 283 G HN 0.919 nan 8.290 nan 0.000 0.559 284 N N 0.554 119.254 118.700 0.000 0.000 3.050 284 N HA 0.418 5.158 4.740 0.000 0.000 0.289 284 N C -0.316 175.144 175.510 -0.083 0.000 1.209 284 N CA 0.294 53.334 53.050 -0.016 0.000 1.154 284 N CB -0.120 38.376 38.487 0.015 0.000 1.444 284 N HN 0.670 nan 8.380 nan 0.000 0.529 285 V N 2.056 121.888 119.914 -0.136 0.000 2.656 285 V HA 0.516 4.636 4.120 0.000 0.000 0.307 285 V C 0.031 176.068 176.094 -0.096 0.000 1.051 285 V CA -0.919 61.210 62.300 -0.285 0.000 0.893 285 V CB 2.295 33.875 31.823 -0.404 0.000 0.999 285 V HN 0.314 nan 8.190 nan 0.000 0.426 286 R N 3.119 123.590 120.500 -0.049 0.000 2.514 286 R HA 0.539 4.879 4.340 0.000 0.000 0.296 286 R C -1.086 175.156 176.300 -0.096 0.000 1.012 286 R CA -0.728 55.365 56.100 -0.010 0.000 0.897 286 R CB 1.727 32.001 30.300 -0.043 0.000 1.184 286 R HN 0.629 nan 8.270 nan 0.000 0.440 287 L N 3.825 124.901 121.223 -0.245 0.000 2.473 287 L HA 0.308 4.648 4.340 0.000 0.000 0.265 287 L C -0.768 175.894 176.870 -0.348 0.000 1.243 287 L CA 0.570 55.005 54.840 -0.675 0.000 0.822 287 L CB 1.004 42.757 42.059 -0.510 0.000 1.101 287 L HN 0.445 nan 8.230 nan 0.000 0.507 288 V N 0.000 119.717 119.914 -0.329 0.000 2.409 288 V HA 0.000 4.120 4.120 0.000 0.000 0.244 288 V CA 0.000 62.192 62.300 -0.180 0.000 1.235 288 V CB 0.000 31.739 31.823 -0.140 0.000 1.184 288 V HN 0.000 nan 8.190 nan 0.000 0.556