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 1oh2_1_Q DATA FIRST_RESID 71 DATA SEQUENCE SGFEFHGYAP SGVIMNDSGA STKSGAYITP AGETGGAIGP LGNAADTYVI DATA SEQUENCE MNLEHKQTLD NGATTRFKVM VADGQTSYND WTASTSDLNV LQAFVELGNL DATA SEQUENCE PTFAGPFKGS TLWAGKRFDR DNFAIHWILS CVVFLAGTGG GIYDVKWNDG DATA SEQUENCE LRSNFSLYGR NFGDIDDSSN SVQNYILTMN HFAGPLQMMV SGLRAKDNDE DATA SEQUENCE RKDSNGNLAK GDAANTGVHA LLGLHNDSFY GLRDGSSKTA LLYGHGLGAE DATA SEQUENCE VKGIGSDGAL RPGADTWRIA SYGTTPLSEN WSVAPAMLAQ RSKDRYADGD DATA SEQUENCE SYQWATFNLR LIQAINQNFA LAYEGSYQYM DLKPEGYNDR QAVNGSFYKL DATA SEQUENCE TFAPTFKVGS IGDFFSRPEI RFYTSWMDWS KKLNNYASDD ALGSDGFNSG DATA SEQUENCE GEWSFGVQME TAF 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 71 S HA 0.000 nan 4.470 nan 0.000 0.327 71 S C 0.000 174.553 174.600 -0.078 0.000 1.055 71 S CA 0.000 58.173 58.200 -0.044 0.000 1.107 71 S CB 0.000 63.181 63.200 -0.031 0.000 0.593 72 G N 0.535 109.309 108.800 -0.043 0.000 3.088 72 G HA2 0.561 4.692 3.960 0.284 0.000 0.197 72 G HA3 0.561 4.692 3.960 0.284 0.000 0.197 72 G C -1.084 173.847 174.900 0.051 0.000 1.611 72 G CA -0.308 44.783 45.100 -0.016 0.000 0.771 72 G HN 0.823 nan 8.290 nan 0.000 0.789 73 F N 1.930 121.890 119.950 0.016 0.000 2.394 73 F HA 0.680 5.379 4.527 0.286 0.000 0.340 73 F C -0.192 175.618 175.800 0.015 0.000 1.105 73 F CA -0.603 57.426 58.000 0.050 0.000 1.124 73 F CB 1.389 40.432 39.000 0.071 0.000 1.145 73 F HN 0.235 nan 8.300 nan 0.000 0.505 74 E N 5.665 125.282 120.200 -0.971 0.000 2.275 74 E HA 0.249 4.769 4.350 0.284 0.000 0.270 74 E C -1.969 173.918 176.600 -1.188 0.000 0.882 74 E CA -0.855 54.998 56.400 -0.911 0.000 0.758 74 E CB 2.504 31.892 29.700 -0.519 0.000 1.195 74 E HN 0.504 nan 8.360 nan 0.000 0.419 75 F N 4.191 123.526 119.950 -1.026 0.000 2.449 75 F HA 0.432 5.132 4.527 0.287 0.000 0.342 75 F C -0.973 174.631 175.800 -0.328 0.000 1.127 75 F CA -0.360 57.334 58.000 -0.509 0.000 0.975 75 F CB 0.649 39.614 39.000 -0.057 0.000 1.146 75 F HN 0.448 nan 8.300 nan 0.000 0.444 76 H N 2.820 121.583 119.070 -0.513 0.000 2.907 76 H HA 0.880 5.608 4.556 0.287 0.000 0.361 76 H C -0.035 174.732 175.328 -0.934 0.000 1.194 76 H CA -0.709 54.978 56.048 -0.602 0.000 1.152 76 H CB 1.725 31.269 29.762 -0.363 0.000 1.867 76 H HN 0.876 nan 8.280 nan 0.000 0.561 77 G N -0.507 107.631 108.800 -1.102 0.000 2.321 77 G HA2 0.315 4.446 3.960 0.284 0.000 0.296 77 G HA3 0.315 4.446 3.960 0.284 0.000 0.296 77 G C -2.467 172.037 174.900 -0.659 0.000 1.287 77 G CA -0.677 43.959 45.100 -0.773 0.000 0.846 77 G HN 0.495 nan 8.290 nan 0.000 0.508 78 Y N -0.078 120.013 120.300 -0.349 0.000 2.534 78 Y HA 0.787 5.507 4.550 0.282 0.000 0.345 78 Y C -0.709 175.191 175.900 -0.000 0.000 1.031 78 Y CA -0.349 57.667 58.100 -0.141 0.000 1.022 78 Y CB 2.219 40.664 38.460 -0.025 0.000 1.292 78 Y HN 1.612 nan 8.280 nan 0.000 0.459 79 A N 6.508 128.915 122.820 -0.687 0.000 2.512 79 A HA 0.729 5.220 4.320 0.284 0.000 0.294 79 A C -3.531 173.823 177.584 -0.383 0.000 1.054 79 A CA -1.299 50.563 52.037 -0.291 0.000 0.756 79 A CB 2.217 21.192 19.000 -0.041 0.000 1.293 79 A HN 0.380 nan 8.150 nan 0.000 0.395 80 P HA 0.768 nan 4.420 nan 0.000 0.311 80 P C -1.001 176.356 177.300 0.096 0.000 1.419 80 P CA -0.783 62.333 63.100 0.026 0.000 1.121 80 P CB 2.364 34.192 31.700 0.214 0.000 1.471 81 S N 0.595 116.343 115.700 0.080 0.000 2.582 81 S HA 0.683 5.323 4.470 0.284 0.000 0.296 81 S C -0.898 173.743 174.600 0.069 0.000 1.118 81 S CA -0.151 58.102 58.200 0.088 0.000 0.947 81 S CB 0.096 63.334 63.200 0.063 0.000 1.131 81 S HN 0.857 nan 8.310 nan 0.000 0.453 82 G N 1.806 110.662 108.800 0.093 0.000 2.554 82 G HA2 0.627 4.757 3.960 0.284 0.000 0.306 82 G HA3 0.627 4.757 3.960 0.284 0.000 0.306 82 G C -1.947 172.985 174.900 0.053 0.000 1.320 82 G CA -0.264 44.873 45.100 0.062 0.000 0.800 82 G HN 0.980 nan 8.290 nan 0.000 0.481 83 V N 0.298 120.227 119.914 0.024 0.000 2.769 83 V HA 0.742 5.033 4.120 0.284 0.000 0.312 83 V C -0.574 175.665 176.094 0.242 0.000 1.061 83 V CA -0.589 61.709 62.300 -0.003 0.000 0.931 83 V CB 1.730 33.398 31.823 -0.257 0.000 1.010 83 V HN 0.611 nan 8.190 nan 0.000 0.433 84 I N 5.450 126.230 120.570 0.350 0.000 2.607 84 I HA 0.604 4.944 4.170 0.284 0.000 0.290 84 I C -0.578 175.740 176.117 0.335 0.000 1.129 84 I CA -0.489 61.027 61.300 0.361 0.000 1.042 84 I CB 1.987 40.175 38.000 0.314 0.000 1.242 84 I HN 0.663 nan 8.210 nan 0.000 0.421 85 M N 3.416 123.222 119.600 0.342 0.000 2.575 85 M HA 0.580 5.231 4.480 0.284 0.000 0.284 85 M C -1.518 175.021 176.300 0.398 0.000 1.253 85 M CA -0.796 54.700 55.300 0.326 0.000 0.861 85 M CB 2.329 35.104 32.600 0.292 0.000 1.733 85 M HN 0.515 nan 8.290 nan 0.000 0.462 86 N N -0.238 118.677 118.700 0.358 0.000 2.418 86 N HA 0.246 5.157 4.740 0.284 0.000 0.283 86 N C -0.194 175.603 175.510 0.478 0.000 1.267 86 N CA 0.103 53.401 53.050 0.414 0.000 0.975 86 N CB -0.025 38.664 38.487 0.337 0.000 1.167 86 N HN 0.816 nan 8.380 nan 0.000 0.581 87 D N -2.469 118.226 120.400 0.492 0.000 2.392 87 D HA -0.028 4.782 4.640 0.284 0.000 0.228 87 D C 0.002 176.413 176.300 0.184 0.000 1.003 87 D CA 0.481 54.715 54.000 0.391 0.000 0.917 87 D CB -0.205 40.811 40.800 0.360 0.000 0.890 87 D HN 0.354 nan 8.370 nan 0.000 0.532 88 S N -0.822 114.989 115.700 0.186 0.000 2.593 88 S HA 0.422 5.063 4.470 0.284 0.000 0.236 88 S C 1.356 176.023 174.600 0.111 0.000 0.991 88 S CA -0.264 58.009 58.200 0.123 0.000 0.963 88 S CB 0.785 64.058 63.200 0.122 0.000 0.865 88 S HN 0.554 nan 8.310 nan 0.000 0.488 89 G N 1.580 110.460 108.800 0.134 0.000 2.246 89 G HA2 -0.043 4.087 3.960 0.284 0.000 0.273 89 G HA3 -0.043 4.087 3.960 0.284 0.000 0.273 89 G C 0.012 174.994 174.900 0.137 0.000 1.055 89 G CA 0.227 45.400 45.100 0.123 0.000 0.851 89 G HN 0.918 nan 8.290 nan 0.000 0.500 90 A N -0.848 122.069 122.820 0.162 0.000 2.530 90 A HA 0.974 5.465 4.320 0.284 0.000 0.288 90 A C 0.539 178.222 177.584 0.166 0.000 1.172 90 A CA 0.456 52.581 52.037 0.148 0.000 0.733 90 A CB 0.693 19.768 19.000 0.123 0.000 1.320 90 A HN 1.819 nan 8.150 nan 0.000 0.419 91 S N 0.085 115.861 115.700 0.127 0.000 2.573 91 S HA 0.544 5.184 4.470 0.284 0.000 0.277 91 S C 0.352 175.016 174.600 0.107 0.000 1.346 91 S CA 0.485 58.746 58.200 0.102 0.000 1.034 91 S CB 0.305 63.524 63.200 0.032 0.000 0.879 91 S HN 1.312 nan 8.310 nan 0.000 0.528 92 T N -0.920 113.679 114.554 0.074 0.000 2.716 92 T HA 0.588 5.109 4.350 0.284 0.000 0.286 92 T C -1.150 173.429 174.700 -0.202 0.000 1.052 92 T CA -1.286 60.829 62.100 0.025 0.000 1.024 92 T CB 0.781 69.749 68.868 0.168 0.000 1.349 92 T HN 0.444 nan 8.240 nan 0.000 0.525 93 K N 1.444 121.465 120.400 -0.631 0.000 2.118 93 K HA 0.796 5.287 4.320 0.284 0.000 0.267 93 K C -0.145 176.181 176.600 -0.456 0.000 0.991 93 K CA -0.496 55.361 56.287 -0.716 0.000 0.916 93 K CB 1.450 33.201 32.500 -1.249 0.000 1.041 93 K HN 0.998 nan 8.250 nan 0.000 0.455 94 S N -1.137 114.404 115.700 -0.265 0.000 2.587 94 S HA 0.821 5.461 4.470 0.284 0.000 0.269 94 S C -0.494 174.024 174.600 -0.136 0.000 1.154 94 S CA -0.335 57.783 58.200 -0.137 0.000 0.824 94 S CB 1.978 65.150 63.200 -0.047 0.000 1.118 94 S HN 0.920 nan 8.310 nan 0.000 0.462 95 G N -0.330 108.394 108.800 -0.126 0.000 2.351 95 G HA2 0.577 4.708 3.960 0.284 0.000 0.472 95 G HA3 0.577 4.708 3.960 0.284 0.000 0.472 95 G C 0.370 175.152 174.900 -0.197 0.000 1.570 95 G CA -0.196 44.827 45.100 -0.129 0.000 0.921 95 G HN 1.748 nan 8.290 nan 0.000 0.674 96 A N 0.312 122.999 122.820 -0.221 0.000 2.125 96 A HA 0.211 4.702 4.320 0.284 0.000 0.219 96 A C 1.164 178.337 177.584 -0.685 0.000 1.156 96 A CA 1.828 53.599 52.037 -0.443 0.000 0.671 96 A CB -0.288 18.404 19.000 -0.514 0.000 0.794 96 A HN 1.049 nan 8.150 nan 0.000 0.459 97 Y N -0.532 119.577 120.300 -0.319 0.000 2.720 97 Y HA 0.280 5.001 4.550 0.285 0.000 0.268 97 Y C 1.454 177.140 175.900 -0.357 0.000 1.142 97 Y CA -0.453 57.435 58.100 -0.352 0.000 1.193 97 Y CB -0.243 38.035 38.460 -0.302 0.000 1.176 97 Y HN 0.426 nan 8.280 nan 0.000 0.542 98 I N -2.187 118.200 120.570 -0.306 0.000 2.761 98 I HA 0.013 4.354 4.170 0.284 0.000 0.261 98 I C 1.247 177.121 176.117 -0.405 0.000 1.198 98 I CA 0.269 61.379 61.300 -0.317 0.000 1.482 98 I CB -0.519 37.294 38.000 -0.311 0.000 1.100 98 I HN 0.118 nan 8.210 nan 0.000 0.445 99 T N -0.869 113.337 114.554 -0.580 0.000 2.860 99 T HA 0.266 4.787 4.350 0.284 0.000 0.299 99 T C -1.526 172.901 174.700 -0.456 0.000 1.045 99 T CA -1.230 60.501 62.100 -0.615 0.000 1.071 99 T CB 0.893 69.287 68.868 -0.791 0.000 0.985 99 T HN -0.070 nan 8.240 nan 0.000 0.537 100 P HA -0.081 nan 4.420 nan 0.000 0.217 100 P C 1.571 178.520 177.300 -0.585 0.000 1.148 100 P CA 1.552 64.289 63.100 -0.605 0.000 0.828 100 P CB -0.275 30.907 31.700 -0.863 0.000 0.783 101 A N -0.381 122.123 122.820 -0.528 0.000 2.019 101 A HA -0.052 4.439 4.320 0.284 0.000 0.219 101 A C 2.430 179.652 177.584 -0.603 0.000 1.164 101 A CA 1.746 53.448 52.037 -0.557 0.000 0.644 101 A CB -1.779 16.795 19.000 -0.710 0.000 0.805 101 A HN 0.282 nan 8.150 nan 0.000 0.449 102 G N -0.058 108.459 108.800 -0.471 0.000 2.450 102 G HA2 -0.237 3.894 3.960 0.284 0.000 0.220 102 G HA3 -0.237 3.894 3.960 0.284 0.000 0.220 102 G C 1.290 176.125 174.900 -0.108 0.000 1.130 102 G CA 0.944 45.885 45.100 -0.265 0.000 0.760 102 G HN 0.709 nan 8.290 nan 0.000 0.557 103 E N -0.007 120.127 120.200 -0.109 0.000 2.268 103 E HA -0.075 4.446 4.350 0.284 0.000 0.195 103 E C 1.991 178.573 176.600 -0.030 0.000 0.995 103 E CA 1.312 57.688 56.400 -0.039 0.000 0.836 103 E CB -0.063 29.683 29.700 0.076 0.000 0.763 103 E HN 0.594 nan 8.360 nan 0.000 0.491 104 T N -3.471 111.071 114.554 -0.020 0.000 3.182 104 T HA 0.443 4.964 4.350 0.284 0.000 0.277 104 T C 1.130 175.955 174.700 0.208 0.000 1.013 104 T CA 0.072 62.216 62.100 0.073 0.000 0.900 104 T CB 1.046 69.962 68.868 0.081 0.000 1.098 104 T HN 0.207 nan 8.240 nan 0.000 0.543 105 G N 0.722 109.547 108.800 0.042 0.000 2.179 105 G HA2 -0.085 4.045 3.960 0.284 0.000 0.220 105 G HA3 -0.085 4.045 3.960 0.284 0.000 0.220 105 G C 0.544 175.236 174.900 -0.347 0.000 0.990 105 G CA -0.438 44.719 45.100 0.094 0.000 0.646 105 G HN 0.983 nan 8.290 nan 0.000 0.517 106 G N 0.974 109.093 108.800 -1.135 0.000 2.916 106 G HA2 0.641 4.772 3.960 0.284 0.000 0.280 106 G HA3 0.641 4.772 3.960 0.284 0.000 0.280 106 G C 0.659 174.944 174.900 -1.025 0.000 0.758 106 G CA 1.157 45.131 45.100 -1.878 0.000 1.993 106 G HN 1.509 nan 8.290 nan 0.000 0.564 107 A N 1.767 124.064 122.820 -0.872 0.000 2.407 107 A HA 0.690 5.181 4.320 0.284 0.000 0.248 107 A C 0.558 177.765 177.584 -0.629 0.000 1.082 107 A CA -0.356 51.089 52.037 -0.987 0.000 0.785 107 A CB 0.367 18.754 19.000 -1.022 0.000 1.020 107 A HN 1.011 nan 8.150 nan 0.000 0.489 108 I N -1.064 119.158 120.570 -0.580 0.000 3.436 108 I HA 0.828 5.169 4.170 0.284 0.000 0.300 108 I C 0.699 176.654 176.117 -0.269 0.000 1.131 108 I CA -1.230 59.854 61.300 -0.360 0.000 1.001 108 I CB 1.120 38.908 38.000 -0.353 0.000 1.305 108 I HN 0.654 nan 8.210 nan 0.000 0.494 109 G N 0.749 109.465 108.800 -0.139 0.000 2.391 109 G HA2 0.358 4.489 3.960 0.284 0.000 0.234 109 G HA3 0.358 4.489 3.960 0.284 0.000 0.234 109 G C -2.327 172.500 174.900 -0.122 0.000 1.284 109 G CA -0.609 44.437 45.100 -0.090 0.000 0.873 109 G HN 0.604 nan 8.290 nan 0.000 0.549 110 P HA 0.136 nan 4.420 nan 0.000 0.268 110 P C 0.769 177.997 177.300 -0.120 0.000 1.248 110 P CA -0.347 62.669 63.100 -0.140 0.000 0.851 110 P CB 0.518 32.109 31.700 -0.181 0.000 1.238 111 L N 0.821 121.995 121.223 -0.083 0.000 2.534 111 L HA 0.124 4.634 4.340 0.284 0.000 0.271 111 L C 1.116 177.813 176.870 -0.288 0.000 1.178 111 L CA 0.838 55.607 54.840 -0.120 0.000 0.907 111 L CB -0.676 41.367 42.059 -0.025 0.000 1.164 111 L HN 0.351 nan 8.230 nan 0.000 0.482 112 G N 3.614 112.037 108.800 -0.629 0.000 2.203 112 G HA2 -0.355 3.776 3.960 0.284 0.000 0.263 112 G HA3 -0.355 3.776 3.960 0.284 0.000 0.263 112 G C 0.481 175.088 174.900 -0.487 0.000 1.012 112 G CA 0.769 45.115 45.100 -1.258 0.000 0.749 112 G HN 0.768 nan 8.290 nan 0.000 0.512 113 N N -0.302 118.238 118.700 -0.267 0.000 2.451 113 N HA 0.543 5.454 4.740 0.284 0.000 0.271 113 N C 0.074 175.529 175.510 -0.092 0.000 1.410 113 N CA 0.709 53.687 53.050 -0.121 0.000 0.884 113 N CB 0.489 38.920 38.487 -0.094 0.000 1.332 113 N HN 0.940 nan 8.380 nan 0.000 0.498 114 A N -0.225 122.552 122.820 -0.071 0.000 2.569 114 A HA 0.733 5.224 4.320 0.284 0.000 0.282 114 A C 0.305 177.928 177.584 0.065 0.000 1.165 114 A CA -0.373 51.656 52.037 -0.014 0.000 0.747 114 A CB 0.648 19.636 19.000 -0.019 0.000 1.215 114 A HN 0.185 nan 8.150 nan 0.000 0.431 115 A N 1.922 124.797 122.820 0.092 0.000 2.275 115 A HA 0.357 4.847 4.320 0.284 0.000 0.212 115 A C 0.593 178.301 177.584 0.207 0.000 1.201 115 A CA 0.641 52.789 52.037 0.186 0.000 0.843 115 A CB -0.282 18.828 19.000 0.183 0.000 0.873 115 A HN 0.796 nan 8.150 nan 0.000 0.492 116 D N -0.978 119.506 120.400 0.139 0.000 2.348 116 D HA 0.270 5.080 4.640 0.284 0.000 0.249 116 D C -0.643 175.768 176.300 0.184 0.000 1.110 116 D CA -0.193 53.896 54.000 0.147 0.000 0.967 116 D CB 0.435 41.301 40.800 0.110 0.000 1.139 116 D HN -0.162 nan 8.370 nan 0.000 0.466 117 T N 1.356 116.017 114.554 0.177 0.000 3.029 117 T HA 0.160 4.680 4.350 0.284 0.000 0.346 117 T C -1.099 173.706 174.700 0.175 0.000 1.211 117 T CA -0.365 61.833 62.100 0.163 0.000 1.009 117 T CB -0.716 68.230 68.868 0.129 0.000 1.084 117 T HN 0.297 nan 8.240 nan 0.000 0.536 118 Y N 3.880 124.244 120.300 0.107 0.000 2.328 118 Y HA 0.617 5.338 4.550 0.285 0.000 0.337 118 Y C -0.816 175.186 175.900 0.169 0.000 1.008 118 Y CA -0.784 57.390 58.100 0.125 0.000 1.129 118 Y CB 0.836 39.380 38.460 0.141 0.000 1.185 118 Y HN 0.295 nan 8.280 nan 0.000 0.476 119 V N 7.829 127.464 119.914 -0.465 0.000 2.709 119 V HA 0.471 4.762 4.120 0.284 0.000 0.308 119 V C -0.644 175.259 176.094 -0.318 0.000 1.062 119 V CA -0.988 61.177 62.300 -0.224 0.000 0.901 119 V CB 2.030 33.811 31.823 -0.071 0.000 1.003 119 V HN 0.650 nan 8.190 nan 0.000 0.425 120 I N 4.690 125.220 120.570 -0.068 0.000 2.418 120 I HA 0.515 4.856 4.170 0.284 0.000 0.287 120 I C -0.625 175.515 176.117 0.038 0.000 1.008 120 I CA -0.359 60.936 61.300 -0.009 0.000 1.104 120 I CB 1.916 39.973 38.000 0.095 0.000 1.264 120 I HN 0.461 nan 8.210 nan 0.000 0.438 121 M N 6.229 125.878 119.600 0.082 0.000 2.114 121 M HA 0.394 5.044 4.480 0.284 0.000 0.332 121 M C -0.880 175.511 176.300 0.152 0.000 1.014 121 M CA -0.434 54.989 55.300 0.205 0.000 0.956 121 M CB 1.219 34.005 32.600 0.311 0.000 1.551 121 M HN 0.380 nan 8.290 nan 0.000 0.427 122 N N 5.335 124.088 118.700 0.088 0.000 2.469 122 N HA 0.482 5.393 4.740 0.284 0.000 0.253 122 N C -1.402 174.177 175.510 0.115 0.000 0.970 122 N CA -0.252 52.819 53.050 0.035 0.000 0.940 122 N CB 1.631 40.090 38.487 -0.047 0.000 1.128 122 N HN 0.593 nan 8.380 nan 0.000 0.503 123 L N 1.958 123.256 121.223 0.125 0.000 2.287 123 L HA 0.459 4.969 4.340 0.284 0.000 0.287 123 L C 0.410 177.297 176.870 0.028 0.000 1.022 123 L CA -0.461 54.494 54.840 0.193 0.000 0.814 123 L CB 1.179 43.452 42.059 0.356 0.000 1.217 123 L HN 0.261 nan 8.230 nan 0.000 0.420 124 E N 1.819 121.970 120.200 -0.081 0.000 2.312 124 E HA 0.365 4.885 4.350 0.284 0.000 0.267 124 E C -1.197 175.485 176.600 0.136 0.000 0.894 124 E CA -0.807 55.560 56.400 -0.056 0.000 0.773 124 E CB 2.829 32.441 29.700 -0.146 0.000 1.241 124 E HN 0.469 nan 8.360 nan 0.000 0.432 125 H N 2.642 121.785 119.070 0.123 0.000 2.866 125 H HA 0.282 5.009 4.556 0.285 0.000 0.287 125 H C -1.132 174.255 175.328 0.098 0.000 1.106 125 H CA -0.463 55.686 56.048 0.169 0.000 1.396 125 H CB 0.590 30.499 29.762 0.245 0.000 1.469 125 H HN 0.349 nan 8.280 nan 0.000 0.500 126 K N 2.979 123.262 120.400 -0.195 0.000 2.095 126 K HA 0.281 4.772 4.320 0.284 0.000 0.252 126 K C -0.444 175.994 176.600 -0.270 0.000 0.977 126 K CA -0.725 55.463 56.287 -0.164 0.000 0.900 126 K CB 1.972 34.416 32.500 -0.094 0.000 1.060 126 K HN 0.580 nan 8.250 nan 0.000 0.449 127 Q N 1.012 120.727 119.800 -0.141 0.000 2.327 127 Q HA 0.221 4.732 4.340 0.284 0.000 0.265 127 Q C -1.809 174.162 176.000 -0.047 0.000 0.993 127 Q CA -0.471 55.268 55.803 -0.108 0.000 0.885 127 Q CB 2.206 30.891 28.738 -0.087 0.000 1.379 127 Q HN 0.550 nan 8.270 nan 0.000 0.408 128 T N 4.091 118.623 114.554 -0.037 0.000 2.809 128 T HA 0.493 5.014 4.350 0.284 0.000 0.284 128 T C -0.828 173.864 174.700 -0.013 0.000 0.992 128 T CA -0.434 61.653 62.100 -0.021 0.000 0.957 128 T CB 0.618 69.474 68.868 -0.019 0.000 0.942 128 T HN 0.407 nan 8.240 nan 0.000 0.439 129 L N 3.269 124.487 121.223 -0.009 0.000 2.357 129 L HA 0.336 4.846 4.340 0.284 0.000 0.273 129 L C 1.528 178.397 176.870 -0.003 0.000 1.080 129 L CA -0.322 54.516 54.840 -0.004 0.000 0.803 129 L CB 0.744 42.802 42.059 -0.002 0.000 1.174 129 L HN 0.627 nan 8.230 nan 0.000 0.443 130 D N 0.146 120.546 120.400 0.000 0.000 2.239 130 D HA -0.252 4.559 4.640 0.284 0.000 0.202 130 D C 0.970 177.272 176.300 0.002 0.000 0.993 130 D CA 1.604 55.605 54.000 0.002 0.000 0.874 130 D CB -0.624 40.178 40.800 0.003 0.000 0.922 130 D HN 0.646 nan 8.370 nan 0.000 0.464 131 N N -0.666 118.035 118.700 0.002 0.000 2.449 131 N HA 0.106 5.017 4.740 0.284 0.000 0.191 131 N C 1.561 177.072 175.510 0.002 0.000 1.161 131 N CA 0.659 53.711 53.050 0.004 0.000 0.863 131 N CB 0.205 38.696 38.487 0.006 0.000 0.980 131 N HN 0.389 nan 8.380 nan 0.000 0.458 132 G N -1.110 107.689 108.800 -0.002 0.000 2.268 132 G HA2 -0.260 3.871 3.960 0.284 0.000 0.240 132 G HA3 -0.260 3.871 3.960 0.284 0.000 0.240 132 G C 0.314 175.207 174.900 -0.012 0.000 1.010 132 G CA 0.112 45.210 45.100 -0.005 0.000 0.618 132 G HN 0.846 nan 8.290 nan 0.000 0.516 133 A N 1.098 123.908 122.820 -0.017 0.000 2.520 133 A HA 0.594 5.084 4.320 0.284 0.000 0.245 133 A C 0.889 178.459 177.584 -0.024 0.000 1.072 133 A CA 1.610 53.628 52.037 -0.030 0.000 0.761 133 A CB 0.040 19.018 19.000 -0.036 0.000 1.004 133 A HN 1.826 nan 8.150 nan 0.000 0.499 134 T N -0.323 114.215 114.554 -0.027 0.000 2.918 134 T HA 0.739 5.259 4.350 0.284 0.000 0.286 134 T C -0.220 174.478 174.700 -0.003 0.000 1.026 134 T CA -0.589 61.502 62.100 -0.015 0.000 1.031 134 T CB 1.732 70.593 68.868 -0.012 0.000 1.046 134 T HN 0.497 nan 8.240 nan 0.000 0.479 135 T N 1.687 116.246 114.554 0.008 0.000 2.881 135 T HA 0.647 5.168 4.350 0.284 0.000 0.290 135 T C -1.005 173.721 174.700 0.044 0.000 1.000 135 T CA -0.751 61.371 62.100 0.038 0.000 0.978 135 T CB 1.302 70.199 68.868 0.049 0.000 0.997 135 T HN 0.772 nan 8.240 nan 0.000 0.443 136 R N 3.118 123.663 120.500 0.074 0.000 2.564 136 R HA 0.602 5.113 4.340 0.284 0.000 0.284 136 R C -2.039 174.296 176.300 0.058 0.000 1.031 136 R CA -0.670 55.459 56.100 0.049 0.000 0.904 136 R CB 1.285 31.586 30.300 0.000 0.000 1.199 136 R HN 0.551 nan 8.270 nan 0.000 0.443 137 F N 3.920 123.826 119.950 -0.074 0.000 2.520 137 F HA 0.558 5.256 4.527 0.286 0.000 0.322 137 F C -1.341 174.307 175.800 -0.253 0.000 1.103 137 F CA -0.556 57.352 58.000 -0.154 0.000 0.926 137 F CB 1.534 40.522 39.000 -0.021 0.000 1.154 137 F HN 0.456 nan 8.300 nan 0.000 0.453 138 K N 5.820 125.211 120.400 -1.682 0.000 2.498 138 K HA 0.747 5.237 4.320 0.284 0.000 0.254 138 K C -2.224 173.652 176.600 -1.206 0.000 0.933 138 K CA -0.774 54.739 56.287 -1.290 0.000 0.806 138 K CB 2.232 34.109 32.500 -1.038 0.000 1.301 138 K HN 0.541 nan 8.250 nan 0.000 0.432 139 V N 2.198 121.736 119.914 -0.628 0.000 2.656 139 V HA 0.576 4.866 4.120 0.284 0.000 0.307 139 V C -0.569 175.453 176.094 -0.120 0.000 1.051 139 V CA -0.981 61.166 62.300 -0.255 0.000 0.893 139 V CB 1.611 33.426 31.823 -0.013 0.000 0.999 139 V HN 0.929 nan 8.190 nan 0.000 0.426 140 M N 4.232 123.791 119.600 -0.069 0.000 2.190 140 M HA 0.746 5.397 4.480 0.284 0.000 0.312 140 M C -2.050 174.260 176.300 0.017 0.000 0.990 140 M CA -0.490 54.789 55.300 -0.034 0.000 0.927 140 M CB 1.868 34.410 32.600 -0.098 0.000 1.571 140 M HN 0.552 nan 8.290 nan 0.000 0.427 141 V N 4.494 124.434 119.914 0.043 0.000 2.448 141 V HA 0.895 5.185 4.120 0.284 0.000 0.295 141 V C -0.308 175.800 176.094 0.023 0.000 1.025 141 V CA -0.467 61.859 62.300 0.045 0.000 0.859 141 V CB 1.315 33.171 31.823 0.055 0.000 0.988 141 V HN 0.964 nan 8.190 nan 0.000 0.431 142 A N 3.874 126.698 122.820 0.007 0.000 2.469 142 A HA 0.937 5.428 4.320 0.284 0.000 0.299 142 A C -1.308 176.221 177.584 -0.091 0.000 1.098 142 A CA -0.544 51.450 52.037 -0.072 0.000 0.737 142 A CB 2.106 21.088 19.000 -0.029 0.000 1.312 142 A HN 0.812 nan 8.150 nan 0.000 0.414 143 D N -1.109 119.168 120.400 -0.204 0.000 2.803 143 D HA 0.547 5.358 4.640 0.284 0.000 0.218 143 D C -0.576 175.625 176.300 -0.165 0.000 1.245 143 D CA 0.446 54.371 54.000 -0.125 0.000 0.821 143 D CB 1.817 42.564 40.800 -0.089 0.000 1.626 143 D HN 0.906 nan 8.370 nan 0.000 0.487 144 G N 2.034 110.841 108.800 0.013 0.000 2.707 144 G HA2 0.568 4.699 3.960 0.284 0.000 0.299 144 G HA3 0.568 4.699 3.960 0.284 0.000 0.299 144 G C -1.383 173.567 174.900 0.082 0.000 1.442 144 G CA -0.580 44.613 45.100 0.154 0.000 1.009 144 G HN 0.226 nan 8.290 nan 0.000 0.515 145 Q N 0.688 120.534 119.800 0.078 0.000 2.375 145 Q HA 0.419 4.930 4.340 0.284 0.000 0.271 145 Q C 0.758 176.787 176.000 0.049 0.000 1.074 145 Q CA -0.691 55.137 55.803 0.043 0.000 0.808 145 Q CB 2.141 30.898 28.738 0.030 0.000 1.327 145 Q HN 0.739 nan 8.270 nan 0.000 0.441 146 T N -2.960 111.596 114.554 0.003 0.000 3.037 146 T HA 0.066 4.587 4.350 0.284 0.000 0.251 146 T C 1.042 175.677 174.700 -0.108 0.000 1.079 146 T CA 0.098 62.177 62.100 -0.035 0.000 1.067 146 T CB 0.288 69.114 68.868 -0.070 0.000 0.948 146 T HN 0.325 nan 8.240 nan 0.000 0.496 147 S N 0.408 116.071 115.700 -0.063 0.000 2.549 147 S HA 0.170 4.811 4.470 0.284 0.000 0.283 147 S C 0.304 174.947 174.600 0.073 0.000 1.320 147 S CA -0.629 57.534 58.200 -0.061 0.000 1.058 147 S CB 0.056 63.252 63.200 -0.006 0.000 0.882 147 S HN 0.328 nan 8.310 nan 0.000 0.498 148 Y N 2.895 123.223 120.300 0.047 0.000 2.511 148 Y HA 0.253 4.973 4.550 0.284 0.000 0.279 148 Y C 1.009 176.942 175.900 0.056 0.000 1.157 148 Y CA -0.692 57.439 58.100 0.052 0.000 1.300 148 Y CB -0.728 37.764 38.460 0.054 0.000 1.052 148 Y HN 0.522 nan 8.280 nan 0.000 0.529 149 N N 1.046 119.868 118.700 0.204 0.000 2.444 149 N HA -0.041 4.869 4.740 0.284 0.000 0.255 149 N C 0.747 176.347 175.510 0.150 0.000 1.255 149 N CA 0.488 53.636 53.050 0.163 0.000 0.933 149 N CB 0.520 39.096 38.487 0.149 0.000 1.143 149 N HN 0.319 nan 8.380 nan 0.000 0.453 150 D N -1.673 118.825 120.400 0.163 0.000 2.349 150 D HA -0.039 4.772 4.640 0.284 0.000 0.224 150 D C -0.310 176.146 176.300 0.261 0.000 1.029 150 D CA 0.180 54.283 54.000 0.172 0.000 0.879 150 D CB 0.108 41.001 40.800 0.155 0.000 0.906 150 D HN 0.407 nan 8.370 nan 0.000 0.528 151 W N 1.728 123.050 121.300 0.036 0.000 2.835 151 W HA 0.272 5.103 4.660 0.285 0.000 0.326 151 W C -0.965 175.571 176.519 0.028 0.000 1.024 151 W CA -0.736 56.626 57.345 0.028 0.000 1.267 151 W CB 1.898 31.372 29.460 0.022 0.000 1.267 151 W HN -0.108 nan 8.180 nan 0.000 0.412 152 T N 1.294 115.672 114.554 -0.294 0.000 3.331 152 T HA 0.309 4.829 4.350 0.284 0.000 0.282 152 T C 1.256 175.766 174.700 -0.317 0.000 1.010 152 T CA 0.347 62.327 62.100 -0.200 0.000 0.928 152 T CB 0.699 69.501 68.868 -0.109 0.000 1.154 152 T HN 0.328 nan 8.240 nan 0.000 0.516 153 A N 2.492 124.951 122.820 -0.601 0.000 1.917 153 A HA -0.114 4.377 4.320 0.284 0.000 0.219 153 A C 2.600 180.106 177.584 -0.130 0.000 1.182 153 A CA 2.163 53.952 52.037 -0.414 0.000 0.633 153 A CB -1.126 17.641 19.000 -0.388 0.000 0.819 153 A HN 0.805 nan 8.150 nan 0.000 0.448 154 S N -0.705 114.975 115.700 -0.034 0.000 2.423 154 S HA -0.110 4.531 4.470 0.284 0.000 0.231 154 S C 1.471 176.062 174.600 -0.015 0.000 1.014 154 S CA 1.747 59.952 58.200 0.009 0.000 0.965 154 S CB -0.903 62.327 63.200 0.051 0.000 0.785 154 S HN 0.859 nan 8.310 nan 0.000 0.495 155 T N -1.481 113.051 114.554 -0.036 0.000 3.132 155 T HA 0.359 4.879 4.350 0.284 0.000 0.274 155 T C 0.333 175.006 174.700 -0.046 0.000 1.011 155 T CA -0.167 61.914 62.100 -0.032 0.000 0.899 155 T CB 0.063 68.917 68.868 -0.024 0.000 1.089 155 T HN 0.217 nan 8.240 nan 0.000 0.543 156 S N 1.356 117.013 115.700 -0.072 0.000 2.546 156 S HA 0.108 4.749 4.470 0.284 0.000 0.290 156 S C 0.217 174.789 174.600 -0.047 0.000 1.290 156 S CA -0.148 58.005 58.200 -0.079 0.000 1.069 156 S CB 0.075 63.202 63.200 -0.122 0.000 0.846 156 S HN 0.324 nan 8.310 nan 0.000 0.495 157 D N 2.994 123.373 120.400 -0.035 0.000 2.462 157 D HA 0.185 4.996 4.640 0.284 0.000 0.221 157 D C -0.379 175.913 176.300 -0.012 0.000 1.173 157 D CA -0.317 53.674 54.000 -0.014 0.000 0.831 157 D CB -0.006 40.797 40.800 0.004 0.000 1.001 157 D HN 0.333 nan 8.370 nan 0.000 0.499 158 L N 2.396 123.602 121.223 -0.029 0.000 2.660 158 L HA 0.047 4.557 4.340 0.284 0.000 0.272 158 L C 0.223 177.092 176.870 -0.002 0.000 1.194 158 L CA 0.600 55.425 54.840 -0.025 0.000 0.945 158 L CB -0.899 41.136 42.059 -0.039 0.000 1.212 158 L HN 0.204 nan 8.230 nan 0.000 0.490 159 N N 1.684 120.393 118.700 0.015 0.000 2.405 159 N HA 0.399 5.310 4.740 0.284 0.000 0.274 159 N C -1.487 174.054 175.510 0.051 0.000 1.170 159 N CA -1.042 52.029 53.050 0.034 0.000 0.848 159 N CB 1.277 39.789 38.487 0.043 0.000 1.629 159 N HN 0.045 nan 8.380 nan 0.000 0.481 160 V N 2.596 122.543 119.914 0.057 0.000 2.421 160 V HA 0.048 4.339 4.120 0.284 0.000 0.271 160 V C 0.737 176.881 176.094 0.083 0.000 1.031 160 V CA -0.127 62.213 62.300 0.065 0.000 1.032 160 V CB 0.043 31.908 31.823 0.069 0.000 1.009 160 V HN 0.656 nan 8.190 nan 0.000 0.477 161 L N 4.062 125.337 121.223 0.087 0.000 2.307 161 L HA 0.213 4.724 4.340 0.284 0.000 0.211 161 L C 0.971 177.866 176.870 0.041 0.000 1.099 161 L CA 1.248 56.169 54.840 0.134 0.000 0.816 161 L CB -0.309 41.888 42.059 0.229 0.000 0.952 161 L HN 0.686 nan 8.230 nan 0.000 0.455 162 Q N -1.401 118.382 119.800 -0.027 0.000 2.418 162 Q HA 0.763 5.273 4.340 0.284 0.000 0.282 162 Q C -1.320 174.712 176.000 0.053 0.000 1.044 162 Q CA -0.589 55.201 55.803 -0.023 0.000 0.813 162 Q CB 2.810 31.450 28.738 -0.164 0.000 1.428 162 Q HN -0.016 nan 8.270 nan 0.000 0.402 163 A N 2.043 124.959 122.820 0.161 0.000 2.562 163 A HA 0.626 5.117 4.320 0.284 0.000 0.297 163 A C -1.549 176.207 177.584 0.288 0.000 1.100 163 A CA -0.520 51.599 52.037 0.137 0.000 0.914 163 A CB 0.158 19.280 19.000 0.205 0.000 1.490 163 A HN 0.611 nan 8.150 nan 0.000 0.391 164 F N 0.265 120.202 119.950 -0.021 0.000 2.662 164 F HA 0.898 5.595 4.527 0.284 0.000 0.312 164 F C -1.300 174.591 175.800 0.152 0.000 1.113 164 F CA -1.398 56.667 58.000 0.108 0.000 0.951 164 F CB 1.255 40.310 39.000 0.092 0.000 1.344 164 F HN 0.224 nan 8.300 nan 0.000 0.462 165 V N 1.067 121.213 119.914 0.388 0.000 2.680 165 V HA 0.518 4.809 4.120 0.284 0.000 0.309 165 V C -0.912 175.410 176.094 0.380 0.000 1.052 165 V CA -0.698 61.771 62.300 0.283 0.000 0.908 165 V CB 1.818 33.796 31.823 0.258 0.000 1.001 165 V HN 0.843 nan 8.190 nan 0.000 0.431 166 E N 3.650 124.017 120.200 0.278 0.000 2.224 166 E HA 0.567 5.088 4.350 0.284 0.000 0.265 166 E C -1.460 175.238 176.600 0.163 0.000 0.878 166 E CA -0.575 56.003 56.400 0.296 0.000 0.759 166 E CB 2.306 32.188 29.700 0.302 0.000 1.164 166 E HN 0.501 nan 8.360 nan 0.000 0.414 167 L N 2.912 124.209 121.223 0.123 0.000 2.277 167 L HA 0.537 5.048 4.340 0.284 0.000 0.284 167 L C 0.344 177.198 176.870 -0.026 0.000 1.028 167 L CA -0.653 54.200 54.840 0.021 0.000 0.835 167 L CB 1.313 43.355 42.059 -0.028 0.000 1.215 167 L HN 0.555 nan 8.230 nan 0.000 0.425 168 G N 0.997 109.782 108.800 -0.025 0.000 2.432 168 G HA2 0.289 4.420 3.960 0.284 0.000 0.331 168 G HA3 0.289 4.420 3.960 0.284 0.000 0.331 168 G C 0.030 174.880 174.900 -0.082 0.000 1.170 168 G CA -0.575 44.503 45.100 -0.037 0.000 0.943 168 G HN 0.704 nan 8.290 nan 0.000 0.483 169 N N -0.704 117.950 118.700 -0.077 0.000 2.669 169 N HA -0.176 4.735 4.740 0.284 0.000 0.266 169 N C -0.258 175.195 175.510 -0.096 0.000 1.024 169 N CA 0.274 53.288 53.050 -0.059 0.000 0.766 169 N CB -1.181 37.293 38.487 -0.023 0.000 0.898 169 N HN 0.487 nan 8.380 nan 0.000 0.548 170 L N 1.201 122.295 121.223 -0.216 0.000 2.360 170 L HA 0.258 4.769 4.340 0.284 0.000 0.276 170 L C -0.527 176.330 176.870 -0.021 0.000 1.121 170 L CA -1.612 53.105 54.840 -0.205 0.000 0.845 170 L CB 0.713 42.457 42.059 -0.524 0.000 1.143 170 L HN 0.239 nan 8.230 nan 0.000 0.452 171 P HA -0.149 nan 4.420 nan 0.000 0.221 171 P C 1.239 178.602 177.300 0.105 0.000 1.145 171 P CA 1.169 64.302 63.100 0.056 0.000 0.795 171 P CB 0.327 32.048 31.700 0.034 0.000 0.775 172 T N -1.378 113.268 114.554 0.153 0.000 3.043 172 T HA 0.085 4.606 4.350 0.284 0.000 0.263 172 T C 0.243 175.134 174.700 0.317 0.000 1.094 172 T CA 0.099 62.321 62.100 0.205 0.000 1.127 172 T CB -0.388 68.597 68.868 0.196 0.000 0.905 172 T HN -0.148 nan 8.240 nan 0.000 0.490 173 F N 2.194 122.158 119.950 0.024 0.000 2.421 173 F HA 0.626 5.324 4.527 0.284 0.000 0.358 173 F C 0.585 176.444 175.800 0.097 0.000 1.115 173 F CA -1.763 56.271 58.000 0.057 0.000 1.160 173 F CB 0.052 39.105 39.000 0.087 0.000 1.123 173 F HN 0.009 nan 8.300 nan 0.000 0.508 174 A N 2.113 125.063 122.820 0.217 0.000 2.437 174 A HA 0.900 5.391 4.320 0.284 0.000 0.288 174 A C 0.535 178.221 177.584 0.171 0.000 1.201 174 A CA -0.163 51.974 52.037 0.166 0.000 0.795 174 A CB 0.658 19.722 19.000 0.106 0.000 1.359 174 A HN 1.276 nan 8.150 nan 0.000 0.435 175 G N -0.237 108.625 108.800 0.104 0.000 2.556 175 G HA2 -0.214 3.917 3.960 0.284 0.000 0.283 175 G HA3 -0.214 3.917 3.960 0.284 0.000 0.283 175 G C -0.983 173.908 174.900 -0.015 0.000 1.177 175 G CA 0.405 45.543 45.100 0.064 0.000 0.978 175 G HN 0.901 nan 8.290 nan 0.000 0.554 176 P HA 0.061 nan 4.420 nan 0.000 0.225 176 P C 1.320 178.300 177.300 -0.533 0.000 1.148 176 P CA 1.469 64.294 63.100 -0.458 0.000 0.779 176 P CB -0.157 31.060 31.700 -0.806 0.000 0.780 177 F N -0.032 119.877 119.950 -0.069 0.000 2.765 177 F HA 0.168 4.866 4.527 0.285 0.000 0.302 177 F C 2.268 178.169 175.800 0.169 0.000 1.111 177 F CA -0.021 58.011 58.000 0.052 0.000 1.359 177 F CB -0.556 38.435 39.000 -0.015 0.000 1.097 177 F HN -0.205 nan 8.300 nan 0.000 0.577 178 K N 1.540 122.059 120.400 0.198 0.000 1.998 178 K HA -0.187 4.304 4.320 0.284 0.000 0.228 178 K C 1.899 178.583 176.600 0.140 0.000 1.053 178 K CA 1.992 58.376 56.287 0.162 0.000 0.988 178 K CB -1.084 31.462 32.500 0.077 0.000 0.735 178 K HN 0.230 nan 8.250 nan 0.000 0.448 179 G N 0.005 108.855 108.800 0.084 0.000 3.702 179 G HA2 0.186 4.316 3.960 0.284 0.000 0.288 179 G HA3 0.186 4.316 3.960 0.284 0.000 0.288 179 G C -0.440 174.503 174.900 0.072 0.000 1.193 179 G CA 0.178 45.313 45.100 0.058 0.000 0.952 179 G HN 0.464 nan 8.290 nan 0.000 0.544 180 S N -0.676 115.108 115.700 0.141 0.000 2.617 180 S HA 0.634 5.275 4.470 0.284 0.000 0.269 180 S C -0.027 174.663 174.600 0.150 0.000 1.292 180 S CA -0.340 57.971 58.200 0.186 0.000 1.010 180 S CB 1.986 65.379 63.200 0.323 0.000 0.944 180 S HN 0.162 nan 8.310 nan 0.000 0.536 181 T N 2.235 116.915 114.554 0.210 0.000 2.840 181 T HA 0.442 4.963 4.350 0.284 0.000 0.287 181 T C -0.699 174.174 174.700 0.288 0.000 0.991 181 T CA -0.800 61.419 62.100 0.199 0.000 0.964 181 T CB 0.239 69.231 68.868 0.206 0.000 0.954 181 T HN 0.675 nan 8.240 nan 0.000 0.438 182 L N 6.958 128.287 121.223 0.176 0.000 2.350 182 L HA 0.704 5.215 4.340 0.284 0.000 0.275 182 L C -0.394 176.621 176.870 0.242 0.000 1.099 182 L CA -0.744 54.185 54.840 0.149 0.000 0.808 182 L CB 0.761 42.860 42.059 0.066 0.000 1.149 182 L HN 0.747 nan 8.230 nan 0.000 0.442 183 W N 3.373 124.707 121.300 0.056 0.000 3.075 183 W HA 0.810 5.642 4.660 0.286 0.000 0.334 183 W C -1.867 174.669 176.519 0.029 0.000 1.243 183 W CA -1.133 56.267 57.345 0.092 0.000 1.170 183 W CB 1.507 31.052 29.460 0.141 0.000 1.452 183 W HN 0.634 nan 8.180 nan 0.000 0.572 184 A N 1.154 124.174 122.820 0.334 0.000 2.605 184 A HA 0.852 5.343 4.320 0.284 0.000 0.294 184 A C -0.190 177.631 177.584 0.395 0.000 1.062 184 A CA 0.162 52.248 52.037 0.081 0.000 0.682 184 A CB 0.794 19.748 19.000 -0.075 0.000 1.278 184 A HN 2.481 nan 8.150 nan 0.000 0.410 185 G N 0.270 109.256 108.800 0.309 0.000 2.352 185 G HA2 0.317 4.448 3.960 0.284 0.000 0.324 185 G HA3 0.317 4.448 3.960 0.284 0.000 0.324 185 G C -0.583 174.511 174.900 0.323 0.000 1.249 185 G CA -0.162 45.126 45.100 0.315 0.000 1.053 185 G HN 1.241 nan 8.290 nan 0.000 0.492 186 K N 0.808 121.368 120.400 0.267 0.000 2.234 186 K HA 0.696 5.186 4.320 0.284 0.000 0.277 186 K C 0.402 177.061 176.600 0.099 0.000 1.038 186 K CA -0.470 55.933 56.287 0.194 0.000 0.888 186 K CB 0.552 33.149 32.500 0.161 0.000 1.091 186 K HN 0.930 nan 8.250 nan 0.000 0.467 187 R N 2.026 122.512 120.500 -0.023 0.000 2.733 187 R HA 0.386 4.896 4.340 0.284 0.000 0.272 187 R C -1.476 174.728 176.300 -0.160 0.000 1.029 187 R CA -0.921 54.957 56.100 -0.370 0.000 0.888 187 R CB 0.401 30.032 30.300 -1.115 0.000 1.251 187 R HN 0.125 nan 8.270 nan 0.000 0.464 188 F N 0.625 120.383 119.950 -0.321 0.000 2.404 188 F HA 0.293 4.991 4.527 0.284 0.000 0.339 188 F C 0.485 176.042 175.800 -0.404 0.000 1.105 188 F CA -1.337 56.437 58.000 -0.377 0.000 1.087 188 F CB 1.041 39.935 39.000 -0.176 0.000 1.143 188 F HN 0.629 nan 8.300 nan 0.000 0.491 189 D N 1.871 122.140 120.400 -0.217 0.000 2.493 189 D HA 0.011 4.822 4.640 0.284 0.000 0.240 189 D C 1.563 177.791 176.300 -0.119 0.000 1.142 189 D CA 0.276 54.201 54.000 -0.124 0.000 0.872 189 D CB 0.756 41.504 40.800 -0.087 0.000 1.173 189 D HN 0.549 nan 8.370 nan 0.000 0.467 190 R N 2.531 122.898 120.500 -0.222 0.000 2.133 190 R HA -0.177 4.334 4.340 0.284 0.000 0.247 190 R C 0.120 176.299 176.300 -0.202 0.000 1.151 190 R CA 1.491 57.381 56.100 -0.350 0.000 0.971 190 R CB 0.067 29.886 30.300 -0.802 0.000 0.866 190 R HN 0.556 nan 8.270 nan 0.000 0.447 191 D N 0.658 121.008 120.400 -0.083 0.000 2.370 191 D HA 0.049 4.860 4.640 0.284 0.000 0.230 191 D C -0.370 176.066 176.300 0.227 0.000 1.143 191 D CA 0.056 54.096 54.000 0.066 0.000 0.834 191 D CB -0.177 40.734 40.800 0.185 0.000 0.944 191 D HN 0.163 nan 8.370 nan 0.000 0.504 192 N N 1.044 119.827 118.700 0.138 0.000 2.399 192 N HA 0.319 5.230 4.740 0.284 0.000 0.250 192 N C -0.070 175.619 175.510 0.297 0.000 1.272 192 N CA 0.045 53.186 53.050 0.152 0.000 0.928 192 N CB 0.608 39.126 38.487 0.052 0.000 1.158 192 N HN 0.040 nan 8.380 nan 0.000 0.463 193 F N -2.488 117.507 119.950 0.074 0.000 2.654 193 F HA 0.821 5.521 4.527 0.288 0.000 0.308 193 F C -1.021 174.810 175.800 0.051 0.000 1.108 193 F CA -1.321 56.719 58.000 0.066 0.000 0.957 193 F CB 0.717 39.804 39.000 0.145 0.000 1.309 193 F HN 0.485 nan 8.300 nan 0.000 0.446 194 A N 1.835 124.715 122.820 0.099 0.000 2.437 194 A HA 0.893 5.383 4.320 0.284 0.000 0.288 194 A C -1.369 176.160 177.584 -0.092 0.000 1.201 194 A CA -1.060 50.938 52.037 -0.064 0.000 0.795 194 A CB 1.486 20.401 19.000 -0.143 0.000 1.359 194 A HN 0.815 nan 8.150 nan 0.000 0.435 195 I N 1.754 122.207 120.570 -0.195 0.000 2.412 195 I HA 0.184 4.525 4.170 0.284 0.000 0.279 195 I C 1.351 177.207 176.117 -0.435 0.000 1.063 195 I CA -0.274 60.821 61.300 -0.342 0.000 1.193 195 I CB 0.686 38.631 38.000 -0.092 0.000 1.370 195 I HN 0.972 nan 8.210 nan 0.000 0.479 196 H N 6.987 125.584 119.070 -0.789 0.000 2.321 196 H HA -0.216 4.509 4.556 0.282 0.000 0.295 196 H C 1.232 176.159 175.328 -0.669 0.000 1.102 196 H CA 2.381 57.954 56.048 -0.792 0.000 1.266 196 H CB 0.248 29.494 29.762 -0.860 0.000 1.363 196 H HN 0.631 nan 8.280 nan 0.000 0.492 197 W N 0.108 121.219 121.300 -0.315 0.000 2.611 197 W HA -0.002 4.821 4.660 0.271 0.000 0.251 197 W C 1.899 178.232 176.519 -0.311 0.000 1.265 197 W CA 0.052 57.214 57.345 -0.306 0.000 1.295 197 W CB -0.328 29.020 29.460 -0.186 0.000 1.129 197 W HN 0.243 nan 8.180 nan 0.000 0.630 198 I N -0.052 120.405 120.570 -0.188 0.000 4.081 198 I HA -0.019 4.321 4.170 0.284 0.000 0.333 198 I C 0.240 176.165 176.117 -0.320 0.000 1.413 198 I CA -0.240 60.927 61.300 -0.221 0.000 1.110 198 I CB 0.069 37.982 38.000 -0.146 0.000 1.082 198 I HN -0.350 nan 8.210 nan 0.000 0.402 199 L N 0.594 121.602 121.223 -0.358 0.000 3.742 199 L HA -0.247 4.264 4.340 0.284 0.000 0.431 199 L C 0.184 176.925 176.870 -0.214 0.000 1.220 199 L CA 0.835 55.482 54.840 -0.321 0.000 0.863 199 L CB -2.391 39.510 42.059 -0.264 0.000 1.751 199 L HN 0.288 nan 8.230 nan 0.000 0.922 200 S N -1.317 114.257 115.700 -0.210 0.000 2.557 200 S HA 0.635 5.275 4.470 0.284 0.000 0.291 200 S C -0.016 174.490 174.600 -0.156 0.000 1.116 200 S CA -0.496 57.627 58.200 -0.128 0.000 0.992 200 S CB 1.358 64.507 63.200 -0.085 0.000 1.028 200 S HN 0.374 nan 8.310 nan 0.000 0.484 201 C N 4.306 123.500 119.300 -0.177 0.000 2.656 201 C HA 0.455 5.086 4.460 0.284 0.000 0.391 201 C C 1.969 176.859 174.990 -0.167 0.000 1.300 201 C CA -0.315 58.596 59.018 -0.179 0.000 2.302 201 C CB -0.061 27.579 27.740 -0.167 0.000 2.655 201 C HN 0.820 nan 8.230 nan 0.000 0.656 202 V N 3.754 123.489 119.914 -0.298 0.000 2.331 202 V HA 0.068 4.358 4.120 0.284 0.000 0.242 202 V C 0.430 176.353 176.094 -0.285 0.000 1.034 202 V CA 1.332 63.420 62.300 -0.353 0.000 1.027 202 V CB -0.182 31.180 31.823 -0.768 0.000 0.667 202 V HN 0.779 nan 8.190 nan 0.000 0.457 203 V N -0.547 119.152 119.914 -0.358 0.000 2.760 203 V HA 0.514 4.805 4.120 0.284 0.000 0.309 203 V C -1.284 174.770 176.094 -0.067 0.000 1.077 203 V CA -0.583 61.625 62.300 -0.154 0.000 0.910 203 V CB 2.215 33.971 31.823 -0.112 0.000 1.008 203 V HN 0.224 nan 8.190 nan 0.000 0.424 204 F N 5.730 125.543 119.950 -0.229 0.000 2.646 204 F HA 0.709 5.405 4.527 0.282 0.000 0.364 204 F C -1.179 174.448 175.800 -0.288 0.000 1.137 204 F CA -0.822 57.021 58.000 -0.261 0.000 1.085 204 F CB 1.377 40.204 39.000 -0.289 0.000 1.331 204 F HN 0.443 nan 8.300 nan 0.000 0.472 205 L N 5.986 126.782 121.223 -0.711 0.000 2.265 205 L HA 0.888 5.398 4.340 0.284 0.000 0.289 205 L C -0.827 175.355 176.870 -1.147 0.000 1.033 205 L CA -0.269 54.078 54.840 -0.822 0.000 0.814 205 L CB 0.501 42.179 42.059 -0.635 0.000 1.203 205 L HN 0.674 nan 8.230 nan 0.000 0.423 206 A N 3.001 125.173 122.820 -1.080 0.000 2.594 206 A HA 1.010 5.501 4.320 0.284 0.000 0.291 206 A C -0.159 177.242 177.584 -0.306 0.000 1.105 206 A CA 0.084 51.693 52.037 -0.713 0.000 0.694 206 A CB 1.473 20.040 19.000 -0.722 0.000 1.291 206 A HN 1.343 nan 8.150 nan 0.000 0.410 207 G N -0.923 107.926 108.800 0.080 0.000 2.334 207 G HA2 0.502 4.633 3.960 0.284 0.000 0.249 207 G HA3 0.502 4.633 3.960 0.284 0.000 0.249 207 G C -0.887 174.214 174.900 0.335 0.000 1.327 207 G CA 0.182 45.408 45.100 0.210 0.000 0.979 207 G HN 1.334 nan 8.290 nan 0.000 0.471 208 T N 0.356 115.075 114.554 0.275 0.000 2.841 208 T HA 0.811 5.332 4.350 0.284 0.000 0.285 208 T C 0.492 175.281 174.700 0.148 0.000 0.991 208 T CA 0.616 62.840 62.100 0.206 0.000 0.966 208 T CB 1.307 70.258 68.868 0.139 0.000 0.962 208 T HN 2.052 nan 8.240 nan 0.000 0.438 209 G N 1.414 110.255 108.800 0.067 0.000 2.539 209 G HA2 0.696 4.827 3.960 0.284 0.000 0.138 209 G HA3 0.696 4.827 3.960 0.284 0.000 0.138 209 G C -0.685 173.940 174.900 -0.457 0.000 1.148 209 G CA 0.047 45.063 45.100 -0.140 0.000 1.057 209 G HN 1.021 nan 8.290 nan 0.000 0.511 210 G N -2.072 106.158 108.800 -0.950 0.000 2.608 210 G HA2 0.898 5.029 3.960 0.284 0.000 0.291 210 G HA3 0.898 5.029 3.960 0.284 0.000 0.291 210 G C -0.358 173.544 174.900 -1.664 0.000 1.425 210 G CA 0.658 44.804 45.100 -1.590 0.000 0.787 210 G HN 2.145 nan 8.290 nan 0.000 0.484 211 G N -1.434 106.313 108.800 -1.755 0.000 2.321 211 G HA2 0.558 4.689 3.960 0.284 0.000 0.296 211 G HA3 0.558 4.689 3.960 0.284 0.000 0.296 211 G C -2.026 172.527 174.900 -0.579 0.000 1.287 211 G CA -0.113 44.469 45.100 -0.863 0.000 0.846 211 G HN 1.298 nan 8.290 nan 0.000 0.508 212 I N -0.480 120.010 120.570 -0.134 0.000 2.619 212 I HA 0.683 5.024 4.170 0.284 0.000 0.292 212 I C -1.500 174.649 176.117 0.054 0.000 1.100 212 I CA -1.091 60.251 61.300 0.070 0.000 1.043 212 I CB 1.842 39.982 38.000 0.232 0.000 1.239 212 I HN 0.520 nan 8.210 nan 0.000 0.420 213 Y N 4.657 125.132 120.300 0.291 0.000 2.420 213 Y HA 0.380 5.102 4.550 0.286 0.000 0.334 213 Y C 0.023 175.985 175.900 0.103 0.000 1.094 213 Y CA -0.658 57.548 58.100 0.175 0.000 1.126 213 Y CB 0.993 39.527 38.460 0.125 0.000 1.217 213 Y HN 0.559 nan 8.280 nan 0.000 0.462 214 D N 0.601 121.128 120.400 0.211 0.000 2.760 214 D HA -0.137 4.673 4.640 0.284 0.000 0.244 214 D C -1.106 175.172 176.300 -0.037 0.000 1.123 214 D CA 0.286 54.323 54.000 0.062 0.000 0.719 214 D CB -1.389 39.433 40.800 0.036 0.000 1.045 214 D HN 0.175 nan 8.370 nan 0.000 0.426 215 V N 0.837 120.677 119.914 -0.123 0.000 2.372 215 V HA 0.046 4.337 4.120 0.284 0.000 0.261 215 V C 0.884 176.585 176.094 -0.657 0.000 1.055 215 V CA -0.198 61.831 62.300 -0.452 0.000 0.930 215 V CB 0.887 32.411 31.823 -0.499 0.000 1.031 215 V HN 0.037 nan 8.190 nan 0.000 0.479 216 K N 5.181 125.277 120.400 -0.506 0.000 2.349 216 K HA 0.292 4.783 4.320 0.284 0.000 0.288 216 K C -0.752 175.625 176.600 -0.371 0.000 1.058 216 K CA 0.336 56.425 56.287 -0.331 0.000 0.953 216 K CB 0.386 32.795 32.500 -0.152 0.000 0.997 216 K HN 0.583 nan 8.250 nan 0.000 0.477 217 W N 2.365 123.673 121.300 0.012 0.000 2.578 217 W HA 0.204 5.033 4.660 0.283 0.000 0.346 217 W C 0.898 177.423 176.519 0.011 0.000 1.075 217 W CA -0.914 56.435 57.345 0.006 0.000 1.233 217 W CB 0.794 30.270 29.460 0.026 0.000 1.358 217 W HN 0.801 nan 8.180 nan 0.000 0.574 218 N N 0.906 119.763 118.700 0.261 0.000 2.498 218 N HA -0.388 4.522 4.740 0.284 0.000 0.240 218 N C -0.413 175.158 175.510 0.101 0.000 1.263 218 N CA 1.486 54.623 53.050 0.145 0.000 0.758 218 N CB -1.280 37.277 38.487 0.117 0.000 1.173 218 N HN 0.712 nan 8.380 nan 0.000 0.575 219 D N -2.160 118.294 120.400 0.090 0.000 2.800 219 D HA -0.123 4.687 4.640 0.284 0.000 0.232 219 D C 0.852 177.188 176.300 0.061 0.000 1.137 219 D CA 1.605 55.639 54.000 0.057 0.000 0.718 219 D CB -1.643 39.182 40.800 0.042 0.000 1.084 219 D HN 0.879 nan 8.370 nan 0.000 0.432 220 G N -0.706 108.145 108.800 0.085 0.000 4.636 220 G HA2 0.275 4.405 3.960 0.284 0.000 0.212 220 G HA3 0.275 4.405 3.960 0.284 0.000 0.212 220 G C -0.474 174.497 174.900 0.118 0.000 0.829 220 G CA -0.149 45.000 45.100 0.083 0.000 0.833 220 G HN 0.243 nan 8.290 nan 0.000 0.510 221 L N 2.095 123.416 121.223 0.164 0.000 2.611 221 L HA 0.574 5.084 4.340 0.284 0.000 0.263 221 L C -0.907 176.133 176.870 0.283 0.000 0.969 221 L CA -0.440 54.544 54.840 0.239 0.000 0.894 221 L CB 1.122 43.340 42.059 0.266 0.000 1.229 221 L HN 0.345 nan 8.230 nan 0.000 0.416 222 R N 2.721 123.369 120.500 0.247 0.000 2.668 222 R HA 0.869 5.380 4.340 0.284 0.000 0.279 222 R C -0.625 175.854 176.300 0.298 0.000 0.976 222 R CA -0.801 55.401 56.100 0.170 0.000 0.978 222 R CB 1.952 32.301 30.300 0.082 0.000 1.133 222 R HN 0.499 nan 8.270 nan 0.000 0.484 223 S N 1.087 116.881 115.700 0.157 0.000 2.549 223 S HA 0.458 5.099 4.470 0.284 0.000 0.280 223 S C -1.212 173.283 174.600 -0.176 0.000 1.109 223 S CA -1.042 57.183 58.200 0.042 0.000 0.905 223 S CB 1.705 65.016 63.200 0.185 0.000 1.081 223 S HN 0.550 nan 8.310 nan 0.000 0.477 224 N N 0.921 119.422 118.700 -0.332 0.000 2.321 224 N HA 0.672 5.583 4.740 0.284 0.000 0.299 224 N C -1.650 173.541 175.510 -0.531 0.000 1.048 224 N CA -0.361 52.572 53.050 -0.195 0.000 0.836 224 N CB 1.033 39.598 38.487 0.130 0.000 1.269 224 N HN 0.418 nan 8.380 nan 0.000 0.486 225 F N 0.192 120.185 119.950 0.071 0.000 2.540 225 F HA 0.622 5.322 4.527 0.287 0.000 0.317 225 F C 0.423 176.233 175.800 0.017 0.000 1.104 225 F CA -0.614 57.420 58.000 0.057 0.000 0.913 225 F CB 1.983 41.033 39.000 0.084 0.000 1.170 225 F HN 0.436 nan 8.300 nan 0.000 0.450 226 S N 2.109 117.928 115.700 0.198 0.000 2.567 226 S HA 0.755 5.396 4.470 0.284 0.000 0.270 226 S C -2.184 172.468 174.600 0.087 0.000 1.152 226 S CA -0.850 57.404 58.200 0.090 0.000 0.835 226 S CB 1.839 65.168 63.200 0.215 0.000 1.115 226 S HN 0.703 nan 8.310 nan 0.000 0.459 227 L N 1.837 123.026 121.223 -0.057 0.000 2.325 227 L HA 0.743 5.253 4.340 0.284 0.000 0.281 227 L C -2.077 174.791 176.870 -0.002 0.000 1.004 227 L CA -0.325 54.519 54.840 0.006 0.000 0.823 227 L CB 0.918 42.933 42.059 -0.072 0.000 1.236 227 L HN 0.824 nan 8.230 nan 0.000 0.415 228 Y N 3.005 123.385 120.300 0.133 0.000 2.376 228 Y HA 0.731 5.451 4.550 0.285 0.000 0.340 228 Y C 0.650 176.622 175.900 0.120 0.000 0.965 228 Y CA -0.452 57.728 58.100 0.133 0.000 1.078 228 Y CB 2.442 40.945 38.460 0.073 0.000 1.193 228 Y HN 0.720 nan 8.280 nan 0.000 0.452 229 G N 3.910 112.857 108.800 0.245 0.000 2.415 229 G HA2 0.773 4.904 3.960 0.284 0.000 0.327 229 G HA3 0.773 4.904 3.960 0.284 0.000 0.327 229 G C -0.869 173.955 174.900 -0.127 0.000 1.182 229 G CA -0.748 44.327 45.100 -0.041 0.000 0.924 229 G HN 0.593 nan 8.290 nan 0.000 0.470 230 R N 0.630 120.931 120.500 -0.332 0.000 2.869 230 R HA 0.443 4.954 4.340 0.284 0.000 0.263 230 R C -1.171 174.879 176.300 -0.417 0.000 1.066 230 R CA -1.005 54.918 56.100 -0.295 0.000 0.960 230 R CB 2.021 32.141 30.300 -0.300 0.000 1.221 230 R HN 0.585 nan 8.270 nan 0.000 0.474 231 N N -0.325 118.185 118.700 -0.317 0.000 2.240 231 N HA 0.499 5.410 4.740 0.284 0.000 0.302 231 N C -1.688 173.723 175.510 -0.164 0.000 1.106 231 N CA -0.417 52.478 53.050 -0.259 0.000 0.778 231 N CB 1.390 39.818 38.487 -0.099 0.000 1.431 231 N HN 0.172 nan 8.380 nan 0.000 0.479 232 F N 0.899 120.821 119.950 -0.046 0.000 2.508 232 F HA 0.773 5.470 4.527 0.284 0.000 0.325 232 F C 1.081 176.867 175.800 -0.023 0.000 1.090 232 F CA -0.550 57.431 58.000 -0.032 0.000 0.945 232 F CB 1.389 40.372 39.000 -0.028 0.000 1.156 232 F HN 0.636 nan 8.300 nan 0.000 0.463 233 G N 2.119 111.029 108.800 0.183 0.000 2.681 233 G HA2 -0.174 3.956 3.960 0.284 0.000 0.220 233 G HA3 -0.174 3.956 3.960 0.284 0.000 0.220 233 G C -1.071 173.863 174.900 0.057 0.000 1.353 233 G CA -0.729 44.422 45.100 0.086 0.000 0.872 233 G HN 0.764 nan 8.290 nan 0.000 0.557 234 D N -0.200 120.222 120.400 0.035 0.000 2.352 234 D HA 0.368 5.179 4.640 0.284 0.000 0.245 234 D C 1.600 177.915 176.300 0.024 0.000 1.224 234 D CA -0.335 53.679 54.000 0.024 0.000 0.879 234 D CB 0.770 41.578 40.800 0.014 0.000 1.057 234 D HN 0.541 nan 8.370 nan 0.000 0.491 235 I N 3.450 124.033 120.570 0.022 0.000 2.530 235 I HA -0.220 4.121 4.170 0.284 0.000 0.257 235 I C 1.258 177.384 176.117 0.016 0.000 1.179 235 I CA 1.432 62.742 61.300 0.018 0.000 1.440 235 I CB 0.120 38.129 38.000 0.015 0.000 1.087 235 I HN 0.416 nan 8.210 nan 0.000 0.440 236 D N -0.326 120.082 120.400 0.015 0.000 2.240 236 D HA -0.069 4.742 4.640 0.284 0.000 0.206 236 D C 0.612 176.920 176.300 0.013 0.000 0.963 236 D CA 0.563 54.571 54.000 0.013 0.000 0.863 236 D CB -0.133 40.673 40.800 0.011 0.000 0.973 236 D HN 0.328 nan 8.370 nan 0.000 0.501 237 D N 0.771 121.180 120.400 0.014 0.000 2.393 237 D HA 0.024 4.835 4.640 0.284 0.000 0.232 237 D C 1.339 177.649 176.300 0.017 0.000 1.192 237 D CA -0.079 53.930 54.000 0.014 0.000 0.882 237 D CB 0.993 41.801 40.800 0.012 0.000 1.038 237 D HN -0.101 nan 8.370 nan 0.000 0.499 238 S N 1.900 117.610 115.700 0.016 0.000 2.400 238 S HA -0.234 4.407 4.470 0.284 0.000 0.232 238 S C 1.795 176.407 174.600 0.021 0.000 1.025 238 S CA 1.365 59.576 58.200 0.019 0.000 0.993 238 S CB -0.325 62.885 63.200 0.017 0.000 0.808 238 S HN 0.425 nan 8.310 nan 0.000 0.478 239 S N 1.000 116.711 115.700 0.019 0.000 2.527 239 S HA 0.150 4.791 4.470 0.284 0.000 0.222 239 S C 1.040 175.654 174.600 0.023 0.000 0.985 239 S CA 0.498 58.710 58.200 0.020 0.000 0.921 239 S CB -0.494 62.715 63.200 0.016 0.000 0.772 239 S HN 0.533 nan 8.310 nan 0.000 0.529 240 N N 1.039 119.753 118.700 0.024 0.000 2.480 240 N HA 0.292 5.203 4.740 0.284 0.000 0.281 240 N C -1.215 174.319 175.510 0.041 0.000 1.381 240 N CA -0.184 52.882 53.050 0.028 0.000 0.903 240 N CB 0.937 39.435 38.487 0.018 0.000 1.274 240 N HN 0.237 nan 8.380 nan 0.000 0.505 241 S N -0.320 115.406 115.700 0.044 0.000 2.557 241 S HA 0.732 5.373 4.470 0.284 0.000 0.291 241 S C -1.427 173.207 174.600 0.055 0.000 1.116 241 S CA -0.398 57.832 58.200 0.050 0.000 0.992 241 S CB 0.952 64.171 63.200 0.031 0.000 1.028 241 S HN -0.074 nan 8.310 nan 0.000 0.484 242 V N 4.641 124.597 119.914 0.071 0.000 2.971 242 V HA 0.488 4.779 4.120 0.284 0.000 0.309 242 V C -0.893 175.162 176.094 -0.065 0.000 1.130 242 V CA -0.753 61.579 62.300 0.053 0.000 0.964 242 V CB 2.362 34.271 31.823 0.142 0.000 1.029 242 V HN 0.895 nan 8.190 nan 0.000 0.427 243 Q N 2.946 122.672 119.800 -0.124 0.000 2.257 243 Q HA 0.408 4.919 4.340 0.284 0.000 0.255 243 Q C -0.452 175.283 176.000 -0.440 0.000 0.920 243 Q CA -0.202 55.399 55.803 -0.338 0.000 0.927 243 Q CB 1.677 30.222 28.738 -0.321 0.000 1.229 243 Q HN 0.693 nan 8.270 nan 0.000 0.433 244 N N 2.537 120.828 118.700 -0.681 0.000 2.417 244 N HA 0.251 5.162 4.740 0.284 0.000 0.274 244 N C -1.635 173.560 175.510 -0.525 0.000 0.987 244 N CA -0.244 52.466 53.050 -0.566 0.000 0.912 244 N CB 0.746 38.684 38.487 -0.914 0.000 1.177 244 N HN 0.408 nan 8.380 nan 0.000 0.490 245 Y N 2.916 123.167 120.300 -0.081 0.000 2.387 245 Y HA 0.498 5.219 4.550 0.284 0.000 0.336 245 Y C -0.012 175.886 175.900 -0.003 0.000 1.067 245 Y CA -0.548 57.533 58.100 -0.031 0.000 1.114 245 Y CB 1.368 39.818 38.460 -0.015 0.000 1.208 245 Y HN 0.360 nan 8.280 nan 0.000 0.458 246 I N 4.069 124.764 120.570 0.208 0.000 2.436 246 I HA 0.364 4.704 4.170 0.284 0.000 0.289 246 I C -1.025 175.191 176.117 0.166 0.000 1.010 246 I CA -0.422 60.963 61.300 0.142 0.000 1.098 246 I CB 1.646 39.693 38.000 0.079 0.000 1.266 246 I HN 0.369 nan 8.210 nan 0.000 0.434 247 L N 5.265 126.564 121.223 0.127 0.000 2.296 247 L HA 0.683 5.193 4.340 0.284 0.000 0.286 247 L C -0.241 176.704 176.870 0.125 0.000 1.023 247 L CA -0.190 54.723 54.840 0.122 0.000 0.812 247 L CB 1.858 43.975 42.059 0.096 0.000 1.223 247 L HN 0.696 nan 8.230 nan 0.000 0.421 248 T N 4.773 119.415 114.554 0.147 0.000 2.952 248 T HA 0.650 5.171 4.350 0.284 0.000 0.305 248 T C -0.777 173.985 174.700 0.103 0.000 1.064 248 T CA -0.766 61.404 62.100 0.117 0.000 1.008 248 T CB 1.341 70.267 68.868 0.095 0.000 1.078 248 T HN 0.550 nan 8.240 nan 0.000 0.459 249 M N 3.562 123.174 119.600 0.020 0.000 2.253 249 M HA 0.578 5.228 4.480 0.284 0.000 0.314 249 M C -1.061 174.987 176.300 -0.419 0.000 1.019 249 M CA -0.691 54.492 55.300 -0.195 0.000 0.932 249 M CB 1.699 34.312 32.600 0.023 0.000 1.606 249 M HN 0.597 nan 8.290 nan 0.000 0.430 250 N N 2.045 120.393 118.700 -0.586 0.000 2.399 250 N HA 0.473 5.383 4.740 0.284 0.000 0.284 250 N C -1.836 173.302 175.510 -0.621 0.000 1.025 250 N CA -0.575 52.192 53.050 -0.473 0.000 0.885 250 N CB 1.359 39.751 38.487 -0.158 0.000 1.339 250 N HN 0.840 nan 8.380 nan 0.000 0.487 251 H N 2.137 121.021 119.070 -0.310 0.000 2.489 251 H HA 0.395 5.121 4.556 0.283 0.000 0.343 251 H C -1.166 173.953 175.328 -0.349 0.000 1.086 251 H CA -0.457 55.486 56.048 -0.175 0.000 1.198 251 H CB 1.174 30.912 29.762 -0.040 0.000 1.490 251 H HN 0.333 nan 8.280 nan 0.000 0.504 252 F N 1.325 121.368 119.950 0.156 0.000 2.493 252 F HA 0.596 5.291 4.527 0.280 0.000 0.329 252 F C -0.163 175.690 175.800 0.088 0.000 1.126 252 F CA -0.835 57.215 58.000 0.084 0.000 0.937 252 F CB 1.823 40.828 39.000 0.008 0.000 1.146 252 F HN 0.606 nan 8.300 nan 0.000 0.442 253 A N 3.224 126.182 122.820 0.229 0.000 2.763 253 A HA 0.681 5.172 4.320 0.284 0.000 0.325 253 A C 0.506 178.167 177.584 0.127 0.000 1.209 253 A CA -0.053 52.077 52.037 0.154 0.000 0.764 253 A CB -0.123 18.942 19.000 0.109 0.000 1.120 253 A HN 1.373 nan 8.150 nan 0.000 0.463 254 G N 3.192 112.060 108.800 0.114 0.000 2.561 254 G HA2 -0.265 3.866 3.960 0.284 0.000 0.289 254 G HA3 -0.265 3.866 3.960 0.284 0.000 0.289 254 G C -0.681 174.279 174.900 0.100 0.000 1.169 254 G CA 0.319 45.467 45.100 0.081 0.000 0.980 254 G HN 0.783 nan 8.290 nan 0.000 0.550 255 P HA 0.277 nan 4.420 nan 0.000 0.241 255 P C 0.585 177.990 177.300 0.176 0.000 1.191 255 P CA 0.483 63.656 63.100 0.121 0.000 0.771 255 P CB 0.198 31.942 31.700 0.074 0.000 0.929 256 L N 0.512 121.826 121.223 0.151 0.000 2.325 256 L HA 0.423 4.934 4.340 0.284 0.000 0.279 256 L C -0.120 176.840 176.870 0.150 0.000 1.054 256 L CA -0.369 54.554 54.840 0.138 0.000 0.804 256 L CB 1.395 43.506 42.059 0.087 0.000 1.200 256 L HN -0.143 nan 8.230 nan 0.000 0.436 257 Q N 5.240 125.104 119.800 0.107 0.000 2.323 257 Q HA 0.525 5.036 4.340 0.284 0.000 0.271 257 Q C -1.690 174.275 176.000 -0.058 0.000 1.048 257 Q CA -0.651 55.110 55.803 -0.070 0.000 0.792 257 Q CB 1.932 30.656 28.738 -0.023 0.000 1.280 257 Q HN 0.757 nan 8.270 nan 0.000 0.441 258 M N 5.662 125.189 119.600 -0.122 0.000 2.142 258 M HA 0.438 5.089 4.480 0.284 0.000 0.299 258 M C -1.994 174.271 176.300 -0.058 0.000 0.960 258 M CA -0.460 54.830 55.300 -0.017 0.000 0.920 258 M CB 1.688 34.326 32.600 0.062 0.000 1.541 258 M HN 0.843 nan 8.290 nan 0.000 0.429 259 M N 5.766 125.352 119.600 -0.023 0.000 2.311 259 M HA 0.677 5.328 4.480 0.284 0.000 0.325 259 M C -2.057 174.277 176.300 0.057 0.000 1.061 259 M CA -0.631 54.657 55.300 -0.021 0.000 0.957 259 M CB 1.684 34.296 32.600 0.019 0.000 1.646 259 M HN 0.557 nan 8.290 nan 0.000 0.434 260 V N 3.420 123.365 119.914 0.051 0.000 2.623 260 V HA 0.577 4.868 4.120 0.284 0.000 0.304 260 V C -0.882 175.271 176.094 0.097 0.000 1.054 260 V CA -0.581 61.776 62.300 0.095 0.000 0.882 260 V CB 2.143 34.028 31.823 0.103 0.000 1.002 260 V HN 0.945 nan 8.190 nan 0.000 0.424 261 S N 2.340 118.114 115.700 0.123 0.000 2.536 261 S HA 0.815 5.456 4.470 0.284 0.000 0.287 261 S C 0.083 174.742 174.600 0.098 0.000 1.101 261 S CA -0.623 57.634 58.200 0.095 0.000 0.950 261 S CB 2.087 65.311 63.200 0.039 0.000 1.056 261 S HN 1.089 nan 8.310 nan 0.000 0.481 262 G N 2.128 110.981 108.800 0.088 0.000 2.417 262 G HA2 0.661 4.792 3.960 0.284 0.000 0.320 262 G HA3 0.661 4.792 3.960 0.284 0.000 0.320 262 G C -0.804 174.145 174.900 0.081 0.000 1.204 262 G CA -0.717 44.433 45.100 0.085 0.000 0.923 262 G HN 0.612 nan 8.290 nan 0.000 0.466 263 L N 1.100 122.370 121.223 0.078 0.000 2.342 263 L HA 0.841 5.351 4.340 0.284 0.000 0.271 263 L C -0.070 176.855 176.870 0.091 0.000 1.008 263 L CA -1.270 53.616 54.840 0.078 0.000 0.818 263 L CB 2.378 44.473 42.059 0.061 0.000 1.296 263 L HN 0.515 nan 8.230 nan 0.000 0.427 264 R N 1.754 122.315 120.500 0.101 0.000 2.523 264 R HA 0.687 5.198 4.340 0.284 0.000 0.278 264 R C -1.918 174.447 176.300 0.110 0.000 1.150 264 R CA -0.341 55.825 56.100 0.111 0.000 0.987 264 R CB 2.131 32.496 30.300 0.109 0.000 1.232 264 R HN 0.911 nan 8.270 nan 0.000 0.424 265 A N 5.075 127.969 122.820 0.122 0.000 2.483 265 A HA 0.284 4.774 4.320 0.284 0.000 0.308 265 A C -0.627 177.032 177.584 0.125 0.000 1.291 265 A CA -0.699 51.407 52.037 0.115 0.000 0.774 265 A CB 0.807 19.948 19.000 0.236 0.000 1.134 265 A HN 0.724 nan 8.150 nan 0.000 0.471 266 K N 2.514 122.977 120.400 0.105 0.000 2.447 266 K HA 0.107 4.598 4.320 0.284 0.000 0.281 266 K C -0.613 176.036 176.600 0.082 0.000 1.031 266 K CA 0.391 56.731 56.287 0.088 0.000 1.019 266 K CB 0.116 32.664 32.500 0.081 0.000 0.918 266 K HN 0.685 nan 8.250 nan 0.000 0.476 267 D N 2.231 122.673 120.400 0.071 0.000 2.723 267 D HA -0.210 4.601 4.640 0.284 0.000 0.236 267 D C 0.399 176.741 176.300 0.069 0.000 1.138 267 D CA 0.904 54.940 54.000 0.060 0.000 0.676 267 D CB -1.181 39.649 40.800 0.051 0.000 1.069 267 D HN 0.754 nan 8.370 nan 0.000 0.430 268 N N 1.328 120.080 118.700 0.087 0.000 2.188 268 N HA -0.156 4.755 4.740 0.284 0.000 0.184 268 N C 1.174 176.707 175.510 0.039 0.000 1.018 268 N CA 1.947 55.053 53.050 0.093 0.000 0.858 268 N CB 0.093 38.650 38.487 0.116 0.000 0.989 268 N HN 0.351 nan 8.380 nan 0.000 0.426 269 D N -0.355 120.063 120.400 0.030 0.000 2.350 269 D HA -0.113 4.697 4.640 0.284 0.000 0.216 269 D C 0.469 176.780 176.300 0.019 0.000 0.968 269 D CA 0.870 54.880 54.000 0.016 0.000 0.894 269 D CB -0.503 40.306 40.800 0.016 0.000 0.909 269 D HN 0.464 nan 8.370 nan 0.000 0.520 270 E N -0.459 119.757 120.200 0.026 0.000 2.499 270 E HA 0.161 4.682 4.350 0.284 0.000 0.199 270 E C -0.048 176.566 176.600 0.025 0.000 1.016 270 E CA -0.435 55.980 56.400 0.024 0.000 0.933 270 E CB 0.424 30.140 29.700 0.027 0.000 1.050 270 E HN 0.127 nan 8.360 nan 0.000 0.462 271 R N 1.930 122.445 120.500 0.025 0.000 2.351 271 R HA 0.137 4.648 4.340 0.284 0.000 0.318 271 R C -0.253 176.056 176.300 0.015 0.000 1.055 271 R CA 0.328 56.443 56.100 0.025 0.000 0.968 271 R CB 0.477 30.794 30.300 0.028 0.000 0.974 271 R HN -0.085 nan 8.270 nan 0.000 0.439 272 K N 2.911 123.320 120.400 0.015 0.000 2.211 272 K HA 0.070 4.561 4.320 0.284 0.000 0.275 272 K C -0.150 176.454 176.600 0.007 0.000 1.024 272 K CA -0.735 55.557 56.287 0.009 0.000 0.887 272 K CB 1.025 33.531 32.500 0.010 0.000 1.084 272 K HN 0.539 nan 8.250 nan 0.000 0.463 273 D N 0.865 121.266 120.400 0.001 0.000 2.346 273 D HA -0.093 4.718 4.640 0.284 0.000 0.249 273 D C 0.996 177.296 176.300 -0.001 0.000 1.308 273 D CA -0.295 53.704 54.000 -0.002 0.000 0.987 273 D CB 0.303 41.097 40.800 -0.009 0.000 1.114 273 D HN 0.378 nan 8.370 nan 0.000 0.529 274 S N -0.831 114.868 115.700 -0.003 0.000 2.402 274 S HA -0.281 4.360 4.470 0.284 0.000 0.233 274 S C 1.473 176.072 174.600 -0.002 0.000 1.030 274 S CA 1.135 59.334 58.200 -0.002 0.000 1.003 274 S CB -0.786 62.411 63.200 -0.004 0.000 0.813 274 S HN 0.533 nan 8.310 nan 0.000 0.477 275 N N 1.409 120.106 118.700 -0.004 0.000 2.142 275 N HA 0.046 4.957 4.740 0.284 0.000 0.186 275 N C 1.404 176.913 175.510 -0.001 0.000 1.023 275 N CA 1.245 54.293 53.050 -0.004 0.000 0.852 275 N CB -0.142 38.341 38.487 -0.006 0.000 0.998 275 N HN 0.697 nan 8.380 nan 0.000 0.424 276 G N 0.004 108.803 108.800 -0.000 0.000 2.318 276 G HA2 -0.142 3.989 3.960 0.284 0.000 0.172 276 G HA3 -0.142 3.989 3.960 0.284 0.000 0.172 276 G C -0.254 174.648 174.900 0.002 0.000 1.002 276 G CA -0.586 44.515 45.100 0.002 0.000 0.697 276 G HN 0.165 nan 8.290 nan 0.000 0.483 277 N N 0.543 119.243 118.700 0.000 0.000 2.493 277 N HA 0.495 5.406 4.740 0.284 0.000 0.275 277 N C 0.429 175.940 175.510 0.002 0.000 1.186 277 N CA -0.376 52.674 53.050 0.001 0.000 0.978 277 N CB 1.178 39.664 38.487 -0.002 0.000 1.184 277 N HN 0.178 nan 8.380 nan 0.000 0.487 278 L N 1.504 122.729 121.223 0.004 0.000 2.499 278 L HA 0.022 4.533 4.340 0.284 0.000 0.273 278 L C 1.701 178.572 176.870 0.002 0.000 1.195 278 L CA -0.294 54.549 54.840 0.005 0.000 0.882 278 L CB 0.445 42.509 42.059 0.008 0.000 1.133 278 L HN 0.660 nan 8.230 nan 0.000 0.483 279 A N 3.716 126.536 122.820 -0.000 0.000 1.933 279 A HA -0.104 4.387 4.320 0.284 0.000 0.218 279 A C 2.077 179.659 177.584 -0.003 0.000 1.175 279 A CA 1.437 53.470 52.037 -0.007 0.000 0.628 279 A CB -0.009 18.985 19.000 -0.010 0.000 0.814 279 A HN 0.798 nan 8.150 nan 0.000 0.444 280 K N -4.629 115.772 120.400 0.002 0.000 2.755 280 K HA 0.329 4.820 4.320 0.284 0.000 0.214 280 K C 1.386 177.995 176.600 0.016 0.000 1.572 280 K CA 1.095 57.390 56.287 0.013 0.000 1.020 280 K CB 0.326 32.828 32.500 0.003 0.000 1.905 280 K HN 0.659 nan 8.250 nan 0.000 0.467 281 G N 1.991 110.797 108.800 0.010 0.000 2.490 281 G HA2 -0.251 3.880 3.960 0.284 0.000 0.214 281 G HA3 -0.251 3.880 3.960 0.284 0.000 0.214 281 G C 0.199 175.107 174.900 0.012 0.000 1.151 281 G CA 0.728 45.836 45.100 0.013 0.000 0.684 281 G HN 0.459 nan 8.290 nan 0.000 0.518 282 D N 1.719 122.127 120.400 0.012 0.000 2.463 282 D HA 0.631 5.442 4.640 0.284 0.000 0.224 282 D C 0.958 177.255 176.300 -0.006 0.000 1.174 282 D CA 0.781 54.785 54.000 0.007 0.000 0.829 282 D CB -0.117 40.690 40.800 0.011 0.000 0.993 282 D HN 0.992 nan 8.370 nan 0.000 0.497 283 A N 0.375 123.188 122.820 -0.012 0.000 2.386 283 A HA 0.608 5.099 4.320 0.284 0.000 0.248 283 A C 0.583 178.149 177.584 -0.030 0.000 1.082 283 A CA -0.138 51.877 52.037 -0.035 0.000 0.789 283 A CB 0.443 19.409 19.000 -0.056 0.000 1.025 283 A HN 0.401 nan 8.150 nan 0.000 0.490 284 A N 1.064 123.855 122.820 -0.048 0.000 2.371 284 A HA 0.465 4.955 4.320 0.284 0.000 0.257 284 A C 0.621 178.216 177.584 0.019 0.000 1.089 284 A CA -0.528 51.496 52.037 -0.022 0.000 0.794 284 A CB 0.102 19.073 19.000 -0.047 0.000 1.029 284 A HN 0.811 nan 8.150 nan 0.000 0.488 285 N N -0.447 118.280 118.700 0.045 0.000 2.294 285 N HA 0.069 4.980 4.740 0.284 0.000 0.186 285 N C 0.367 175.934 175.510 0.095 0.000 1.107 285 N CA 1.232 54.330 53.050 0.079 0.000 0.884 285 N CB 0.527 39.054 38.487 0.066 0.000 1.030 285 N HN 0.869 nan 8.380 nan 0.000 0.482 286 T N -2.821 111.779 114.554 0.077 0.000 2.838 286 T HA 0.838 5.359 4.350 0.284 0.000 0.292 286 T C -0.036 174.707 174.700 0.071 0.000 1.113 286 T CA -0.812 61.337 62.100 0.082 0.000 1.008 286 T CB 2.480 71.394 68.868 0.076 0.000 1.259 286 T HN 0.055 nan 8.240 nan 0.000 0.520 287 G N -0.854 107.991 108.800 0.075 0.000 2.623 287 G HA2 0.597 4.728 3.960 0.284 0.000 0.290 287 G HA3 0.597 4.728 3.960 0.284 0.000 0.290 287 G C -2.116 172.828 174.900 0.074 0.000 1.437 287 G CA -0.614 44.524 45.100 0.063 0.000 0.798 287 G HN 0.939 nan 8.290 nan 0.000 0.488 288 V N 0.822 120.775 119.914 0.066 0.000 2.841 288 V HA 0.683 4.974 4.120 0.284 0.000 0.310 288 V C -1.200 174.919 176.094 0.042 0.000 1.090 288 V CA -0.716 61.629 62.300 0.074 0.000 0.930 288 V CB 2.110 33.989 31.823 0.094 0.000 1.014 288 V HN 0.979 nan 8.190 nan 0.000 0.425 289 H N 2.890 121.934 119.070 -0.044 0.000 2.894 289 H HA 0.846 5.572 4.556 0.283 0.000 0.367 289 H C -1.113 174.201 175.328 -0.024 0.000 1.144 289 H CA -0.021 55.974 56.048 -0.088 0.000 1.180 289 H CB 2.296 32.008 29.762 -0.083 0.000 1.758 289 H HN 0.859 nan 8.280 nan 0.000 0.541 290 A N 5.146 127.791 122.820 -0.292 0.000 2.486 290 A HA 0.523 5.014 4.320 0.284 0.000 0.300 290 A C -1.941 175.541 177.584 -0.170 0.000 1.048 290 A CA -0.722 51.265 52.037 -0.084 0.000 0.696 290 A CB 1.935 20.934 19.000 -0.001 0.000 1.278 290 A HN 0.446 nan 8.150 nan 0.000 0.405 291 L N 2.861 124.087 121.223 0.006 0.000 2.410 291 L HA 0.663 5.174 4.340 0.284 0.000 0.270 291 L C -1.912 175.000 176.870 0.071 0.000 0.983 291 L CA -0.490 54.379 54.840 0.048 0.000 0.822 291 L CB 1.332 43.473 42.059 0.138 0.000 1.285 291 L HN 0.795 nan 8.230 nan 0.000 0.409 292 L N 4.723 125.998 121.223 0.086 0.000 2.316 292 L HA 0.720 5.230 4.340 0.284 0.000 0.280 292 L C 0.015 176.949 176.870 0.106 0.000 1.006 292 L CA -0.344 54.549 54.840 0.087 0.000 0.836 292 L CB 1.669 43.780 42.059 0.088 0.000 1.221 292 L HN 0.852 nan 8.230 nan 0.000 0.418 293 G N 4.455 113.320 108.800 0.109 0.000 2.519 293 G HA2 0.676 4.807 3.960 0.284 0.000 0.307 293 G HA3 0.676 4.807 3.960 0.284 0.000 0.307 293 G C -1.700 173.209 174.900 0.014 0.000 1.266 293 G CA -0.481 44.666 45.100 0.080 0.000 0.970 293 G HN 0.438 nan 8.290 nan 0.000 0.481 294 L N 1.492 122.635 121.223 -0.133 0.000 2.372 294 L HA 0.361 4.872 4.340 0.284 0.000 0.273 294 L C -1.004 175.695 176.870 -0.284 0.000 0.989 294 L CA -0.846 53.934 54.840 -0.100 0.000 0.841 294 L CB 1.628 43.660 42.059 -0.046 0.000 1.225 294 L HN 0.605 nan 8.230 nan 0.000 0.414 295 H N 2.727 121.756 119.070 -0.069 0.000 2.685 295 H HA 0.363 5.086 4.556 0.279 0.000 0.286 295 H C -0.429 174.843 175.328 -0.094 0.000 1.102 295 H CA -0.556 55.419 56.048 -0.122 0.000 1.254 295 H CB 0.451 30.134 29.762 -0.132 0.000 1.397 295 H HN 0.403 nan 8.280 nan 0.000 0.473 296 N N 1.632 120.293 118.700 -0.066 0.000 2.492 296 N HA 0.058 4.969 4.740 0.284 0.000 0.289 296 N C 0.014 175.506 175.510 -0.031 0.000 1.133 296 N CA -0.408 52.608 53.050 -0.057 0.000 0.961 296 N CB 1.572 39.988 38.487 -0.118 0.000 1.186 296 N HN 0.604 nan 8.380 nan 0.000 0.493 297 D N -0.687 119.713 120.400 0.000 0.000 2.427 297 D HA 0.130 4.940 4.640 0.284 0.000 0.224 297 D C -0.416 175.910 176.300 0.044 0.000 1.157 297 D CA 0.126 54.141 54.000 0.026 0.000 0.828 297 D CB 0.205 41.023 40.800 0.029 0.000 0.974 297 D HN 0.485 nan 8.370 nan 0.000 0.498 298 S N -1.304 114.416 115.700 0.033 0.000 2.596 298 S HA 0.346 4.987 4.470 0.284 0.000 0.270 298 S C -0.694 173.952 174.600 0.078 0.000 1.155 298 S CA -0.995 57.254 58.200 0.082 0.000 0.827 298 S CB 0.691 63.940 63.200 0.081 0.000 1.130 298 S HN -0.020 nan 8.310 nan 0.000 0.467 299 F N 3.012 122.970 119.950 0.013 0.000 2.556 299 F HA 0.340 4.878 4.527 0.019 0.000 0.344 299 F C -0.148 175.727 175.800 0.125 0.000 1.255 299 F CA -0.426 57.587 58.000 0.021 0.000 1.091 299 F CB -1.363 37.709 39.000 0.120 0.000 1.325 299 F HN 0.686 nan 8.300 nan 0.000 0.627 300 Y N 2.598 122.728 120.300 -0.283 0.000 3.721 300 Y HA -0.264 4.490 4.550 0.340 0.000 0.218 300 Y C 1.578 177.421 175.900 -0.096 0.000 1.188 300 Y CA 0.775 58.719 58.100 -0.260 0.000 1.607 300 Y CB -1.572 36.620 38.460 -0.445 0.000 1.496 300 Y HN 0.917 nan 8.280 nan 0.000 0.626 301 G N -0.846 107.997 108.800 0.072 0.000 2.168 301 G HA2 -0.255 3.875 3.960 0.284 0.000 0.257 301 G HA3 -0.255 3.875 3.960 0.284 0.000 0.257 301 G C 0.269 175.232 174.900 0.105 0.000 0.997 301 G CA 0.633 45.781 45.100 0.079 0.000 0.708 301 G HN 0.664 nan 8.290 nan 0.000 0.520 302 L N -1.661 119.659 121.223 0.162 0.000 3.086 302 L HA 0.623 5.134 4.340 0.284 0.000 0.274 302 L C 0.560 177.542 176.870 0.186 0.000 1.184 302 L CA 0.356 55.293 54.840 0.161 0.000 1.002 302 L CB 0.297 42.455 42.059 0.164 0.000 1.383 302 L HN 0.418 nan 8.230 nan 0.000 0.582 303 R N -0.813 119.822 120.500 0.226 0.000 2.728 303 R HA 0.316 4.827 4.340 0.284 0.000 0.274 303 R C -1.542 174.868 176.300 0.183 0.000 1.032 303 R CA -0.674 55.539 56.100 0.188 0.000 0.866 303 R CB 1.148 31.571 30.300 0.205 0.000 1.263 303 R HN -0.119 nan 8.270 nan 0.000 0.475 304 D N 0.303 120.775 120.400 0.120 0.000 2.423 304 D HA 0.452 5.263 4.640 0.284 0.000 0.238 304 D C 0.681 177.067 176.300 0.144 0.000 1.142 304 D CA 1.876 55.942 54.000 0.111 0.000 0.884 304 D CB 1.411 42.256 40.800 0.076 0.000 1.199 304 D HN 0.788 nan 8.370 nan 0.000 0.438 305 G N -0.173 108.718 108.800 0.152 0.000 2.295 305 G HA2 0.348 4.478 3.960 0.284 0.000 0.155 305 G HA3 0.348 4.478 3.960 0.284 0.000 0.155 305 G C -1.134 173.874 174.900 0.179 0.000 1.307 305 G CA 0.105 45.319 45.100 0.190 0.000 1.140 305 G HN 1.094 nan 8.290 nan 0.000 0.470 306 S N -1.482 114.338 115.700 0.200 0.000 2.615 306 S HA 0.946 5.586 4.470 0.284 0.000 0.268 306 S C -0.665 173.899 174.600 -0.061 0.000 1.146 306 S CA 0.683 58.935 58.200 0.086 0.000 0.818 306 S CB 1.387 64.676 63.200 0.147 0.000 1.111 306 S HN 2.637 nan 8.310 nan 0.000 0.465 307 S N -0.102 115.425 115.700 -0.289 0.000 2.578 307 S HA 0.757 5.398 4.470 0.284 0.000 0.272 307 S C -2.024 172.202 174.600 -0.623 0.000 1.145 307 S CA -1.131 56.658 58.200 -0.684 0.000 0.835 307 S CB 1.345 63.781 63.200 -1.273 0.000 1.104 307 S HN 0.936 nan 8.310 nan 0.000 0.458 308 K N 0.546 120.482 120.400 -0.773 0.000 2.498 308 K HA 0.761 5.251 4.320 0.284 0.000 0.254 308 K C -1.557 174.892 176.600 -0.252 0.000 0.933 308 K CA -0.716 55.276 56.287 -0.492 0.000 0.806 308 K CB 2.522 34.788 32.500 -0.390 0.000 1.301 308 K HN 0.716 nan 8.250 nan 0.000 0.432 309 T N 0.945 115.420 114.554 -0.131 0.000 2.921 309 T HA 0.670 5.191 4.350 0.284 0.000 0.297 309 T C -1.483 173.253 174.700 0.060 0.000 1.013 309 T CA -0.738 61.382 62.100 0.033 0.000 0.990 309 T CB 1.706 70.613 68.868 0.065 0.000 1.023 309 T HN 0.660 nan 8.240 nan 0.000 0.447 310 A N 2.607 125.510 122.820 0.138 0.000 2.449 310 A HA 0.847 5.337 4.320 0.284 0.000 0.302 310 A C -1.586 176.081 177.584 0.138 0.000 1.048 310 A CA -0.690 51.441 52.037 0.157 0.000 0.708 310 A CB 1.382 20.524 19.000 0.236 0.000 1.274 310 A HN 0.703 nan 8.150 nan 0.000 0.410 311 L N 2.756 124.060 121.223 0.135 0.000 2.319 311 L HA 0.739 5.249 4.340 0.284 0.000 0.281 311 L C -1.546 175.401 176.870 0.129 0.000 1.005 311 L CA -0.288 54.651 54.840 0.165 0.000 0.828 311 L CB 0.878 43.053 42.059 0.194 0.000 1.227 311 L HN 0.566 nan 8.230 nan 0.000 0.415 312 L N 6.021 127.302 121.223 0.097 0.000 2.317 312 L HA 0.556 5.067 4.340 0.284 0.000 0.281 312 L C -1.080 175.678 176.870 -0.186 0.000 1.024 312 L CA -0.426 54.376 54.840 -0.063 0.000 0.810 312 L CB 1.568 43.585 42.059 -0.071 0.000 1.240 312 L HN 0.563 nan 8.230 nan 0.000 0.427 313 Y N 1.298 121.249 120.300 -0.581 0.000 2.492 313 Y HA 0.832 5.552 4.550 0.283 0.000 0.346 313 Y C -0.299 175.205 175.900 -0.661 0.000 0.997 313 Y CA -0.881 56.703 58.100 -0.860 0.000 1.025 313 Y CB 2.326 40.045 38.460 -1.236 0.000 1.263 313 Y HN 0.578 nan 8.280 nan 0.000 0.454 314 G N 4.267 112.125 108.800 -1.570 0.000 2.706 314 G HA2 0.424 4.554 3.960 0.284 0.000 0.297 314 G HA3 0.424 4.554 3.960 0.284 0.000 0.297 314 G C -2.534 171.801 174.900 -0.942 0.000 1.403 314 G CA -0.651 43.827 45.100 -1.037 0.000 0.954 314 G HN 0.796 nan 8.290 nan 0.000 0.500 315 H N 0.119 118.830 119.070 -0.598 0.000 2.806 315 H HA 0.559 5.285 4.556 0.284 0.000 0.367 315 H C 0.818 176.051 175.328 -0.158 0.000 1.136 315 H CA 0.742 56.595 56.048 -0.324 0.000 1.178 315 H CB 1.944 31.604 29.762 -0.170 0.000 1.718 315 H HN 1.506 nan 8.280 nan 0.000 0.540 316 G N 3.136 111.572 108.800 -0.607 0.000 2.561 316 G HA2 -0.342 3.789 3.960 0.284 0.000 0.289 316 G HA3 -0.342 3.789 3.960 0.284 0.000 0.289 316 G C 1.129 175.918 174.900 -0.184 0.000 1.169 316 G CA 0.450 45.369 45.100 -0.302 0.000 0.980 316 G HN 0.577 nan 8.290 nan 0.000 0.550 317 L N 1.972 123.154 121.223 -0.069 0.000 2.265 317 L HA 0.091 4.601 4.340 0.284 0.000 0.215 317 L C 3.023 179.885 176.870 -0.014 0.000 1.117 317 L CA 1.440 56.273 54.840 -0.012 0.000 0.782 317 L CB -0.649 41.465 42.059 0.091 0.000 0.914 317 L HN 0.702 nan 8.230 nan 0.000 0.441 318 G N -0.958 107.819 108.800 -0.038 0.000 2.744 318 G HA2 -0.010 4.121 3.960 0.284 0.000 0.211 318 G HA3 -0.010 4.121 3.960 0.284 0.000 0.211 318 G C 1.661 176.503 174.900 -0.096 0.000 1.143 318 G CA 0.536 45.626 45.100 -0.016 0.000 0.788 318 G HN 0.416 nan 8.290 nan 0.000 0.534 319 A N 0.426 123.135 122.820 -0.186 0.000 2.125 319 A HA 0.045 4.535 4.320 0.284 0.000 0.219 319 A C 1.412 178.894 177.584 -0.170 0.000 1.156 319 A CA 1.201 53.089 52.037 -0.249 0.000 0.671 319 A CB -0.070 18.751 19.000 -0.298 0.000 0.794 319 A HN 0.327 nan 8.150 nan 0.000 0.459 320 E N 0.464 120.609 120.200 -0.092 0.000 1.963 320 E HA 0.306 4.826 4.350 0.284 0.000 0.274 320 E C 0.737 177.348 176.600 0.017 0.000 1.061 320 E CA 0.108 56.482 56.400 -0.043 0.000 0.847 320 E CB 0.541 30.229 29.700 -0.019 0.000 1.083 320 E HN 0.291 nan 8.360 nan 0.000 0.402 321 V N 2.264 122.194 119.914 0.027 0.000 3.380 321 V HA 0.047 4.338 4.120 0.284 0.000 0.268 321 V C 1.652 177.854 176.094 0.180 0.000 1.168 321 V CA 1.504 63.889 62.300 0.142 0.000 1.156 321 V CB -0.418 31.390 31.823 -0.025 0.000 0.785 321 V HN 0.499 nan 8.190 nan 0.000 0.487 322 K N 1.511 121.952 120.400 0.069 0.000 2.167 322 K HA 0.309 4.799 4.320 0.284 0.000 0.214 322 K C 1.501 178.114 176.600 0.022 0.000 1.024 322 K CA 0.729 57.037 56.287 0.035 0.000 0.951 322 K CB -0.246 32.263 32.500 0.014 0.000 0.907 322 K HN 0.484 nan 8.250 nan 0.000 0.459 323 G N 2.709 111.524 108.800 0.025 0.000 2.865 323 G HA2 0.234 4.365 3.960 0.284 0.000 0.292 323 G HA3 0.234 4.365 3.960 0.284 0.000 0.292 323 G C -0.153 174.736 174.900 -0.019 0.000 0.800 323 G CA -0.419 44.728 45.100 0.079 0.000 1.838 323 G HN 0.285 nan 8.290 nan 0.000 0.535 324 I N 1.258 121.747 120.570 -0.135 0.000 2.906 324 I HA -0.035 4.306 4.170 0.284 0.000 0.301 324 I C 1.595 177.639 176.117 -0.122 0.000 1.221 324 I CA 1.481 62.652 61.300 -0.216 0.000 1.435 324 I CB 0.410 38.176 38.000 -0.391 0.000 1.345 324 I HN 0.650 nan 8.210 nan 0.000 0.558 325 G N 4.373 113.151 108.800 -0.036 0.000 2.179 325 G HA2 -0.322 3.809 3.960 0.284 0.000 0.257 325 G HA3 -0.322 3.809 3.960 0.284 0.000 0.257 325 G C 0.779 175.762 174.900 0.140 0.000 1.010 325 G CA 0.645 45.772 45.100 0.044 0.000 0.736 325 G HN 0.843 nan 8.290 nan 0.000 0.513 326 S N -1.614 114.179 115.700 0.155 0.000 2.540 326 S HA 0.318 4.958 4.470 0.284 0.000 0.218 326 S C 0.322 175.064 174.600 0.236 0.000 0.977 326 S CA 0.637 58.954 58.200 0.195 0.000 0.918 326 S CB 0.726 63.975 63.200 0.082 0.000 0.806 326 S HN 0.319 nan 8.310 nan 0.000 0.496 327 D N 1.178 121.686 120.400 0.181 0.000 2.441 327 D HA 0.489 5.300 4.640 0.284 0.000 0.231 327 D C 0.911 177.003 176.300 -0.348 0.000 1.073 327 D CA -0.362 53.632 54.000 -0.010 0.000 0.850 327 D CB 1.214 42.026 40.800 0.020 0.000 1.062 327 D HN 0.212 nan 8.370 nan 0.000 0.524 328 G N 2.200 110.568 108.800 -0.720 0.000 2.712 328 G HA2 0.067 4.197 3.960 0.284 0.000 0.212 328 G HA3 0.067 4.197 3.960 0.284 0.000 0.212 328 G C 1.034 175.608 174.900 -0.544 0.000 1.142 328 G CA 0.498 44.819 45.100 -1.297 0.000 0.789 328 G HN 0.523 nan 8.290 nan 0.000 0.535 329 A N 0.019 122.693 122.820 -0.244 0.000 2.275 329 A HA 0.538 5.029 4.320 0.284 0.000 0.212 329 A C 0.854 178.475 177.584 0.062 0.000 1.201 329 A CA -0.382 51.619 52.037 -0.061 0.000 0.843 329 A CB -0.082 18.901 19.000 -0.027 0.000 0.873 329 A HN 0.277 nan 8.150 nan 0.000 0.492 330 L N 1.125 122.336 121.223 -0.019 0.000 2.416 330 L HA 0.194 4.704 4.340 0.284 0.000 0.272 330 L C 0.734 177.534 176.870 -0.116 0.000 1.161 330 L CA -0.267 54.514 54.840 -0.099 0.000 0.845 330 L CB 0.468 42.428 42.059 -0.165 0.000 1.119 330 L HN 0.336 nan 8.230 nan 0.000 0.464 331 R N 3.261 123.675 120.500 -0.144 0.000 2.637 331 R HA 0.151 4.662 4.340 0.284 0.000 0.269 331 R C -1.558 174.660 176.300 -0.137 0.000 1.089 331 R CA -1.455 54.579 56.100 -0.111 0.000 1.177 331 R CB 0.110 30.350 30.300 -0.100 0.000 1.091 331 R HN 0.348 nan 8.270 nan 0.000 0.540 332 P HA -0.098 nan 4.420 nan 0.000 0.218 332 P C 0.711 177.933 177.300 -0.130 0.000 1.149 332 P CA 1.190 64.248 63.100 -0.070 0.000 0.817 332 P CB 0.217 31.915 31.700 -0.004 0.000 0.785 333 G N -1.264 107.462 108.800 -0.125 0.000 3.284 333 G HA2 0.326 4.457 3.960 0.284 0.000 0.236 333 G HA3 0.326 4.457 3.960 0.284 0.000 0.236 333 G C 0.323 175.054 174.900 -0.282 0.000 1.158 333 G CA 0.023 45.054 45.100 -0.115 0.000 0.774 333 G HN 0.335 nan 8.290 nan 0.000 0.545 334 A N 0.520 123.107 122.820 -0.389 0.000 2.520 334 A HA 0.443 4.934 4.320 0.284 0.000 0.245 334 A C -0.514 176.814 177.584 -0.427 0.000 1.072 334 A CA 0.169 51.998 52.037 -0.346 0.000 0.761 334 A CB 0.285 19.074 19.000 -0.352 0.000 1.004 334 A HN 0.259 nan 8.150 nan 0.000 0.499 335 D N 0.796 121.080 120.400 -0.194 0.000 2.696 335 D HA 0.587 5.397 4.640 0.284 0.000 0.251 335 D C -0.857 175.403 176.300 -0.067 0.000 1.188 335 D CA 0.058 54.027 54.000 -0.052 0.000 0.876 335 D CB 1.362 42.282 40.800 0.200 0.000 1.334 335 D HN 0.401 nan 8.370 nan 0.000 0.540 336 T N 3.009 117.430 114.554 -0.221 0.000 2.886 336 T HA 0.492 5.013 4.350 0.284 0.000 0.292 336 T C -1.243 173.317 174.700 -0.235 0.000 1.012 336 T CA -0.521 61.477 62.100 -0.169 0.000 0.982 336 T CB 0.802 69.547 68.868 -0.204 0.000 1.018 336 T HN 0.266 nan 8.240 nan 0.000 0.451 337 W N 1.890 123.175 121.300 -0.025 0.000 2.785 337 W HA 0.732 5.561 4.660 0.281 0.000 0.333 337 W C 0.120 176.594 176.519 -0.076 0.000 1.062 337 W CA -0.848 56.506 57.345 0.016 0.000 1.233 337 W CB 1.636 31.120 29.460 0.040 0.000 1.413 337 W HN 0.416 nan 8.180 nan 0.000 0.489 338 R N 3.693 124.317 120.500 0.205 0.000 2.668 338 R HA 0.682 5.193 4.340 0.284 0.000 0.272 338 R C -2.012 174.363 176.300 0.125 0.000 1.019 338 R CA -0.813 55.334 56.100 0.077 0.000 0.894 338 R CB 2.125 32.434 30.300 0.015 0.000 1.228 338 R HN 0.737 nan 8.270 nan 0.000 0.460 339 I N 2.853 123.477 120.570 0.091 0.000 2.466 339 I HA 0.630 4.970 4.170 0.284 0.000 0.289 339 I C -1.431 174.765 176.117 0.132 0.000 1.026 339 I CA -0.511 60.858 61.300 0.115 0.000 1.078 339 I CB 1.790 39.850 38.000 0.100 0.000 1.249 339 I HN 0.816 nan 8.210 nan 0.000 0.429 340 A N 5.152 128.062 122.820 0.150 0.000 2.355 340 A HA 0.834 5.325 4.320 0.284 0.000 0.317 340 A C -0.888 176.832 177.584 0.225 0.000 1.094 340 A CA -0.455 51.695 52.037 0.187 0.000 0.764 340 A CB 1.732 20.829 19.000 0.161 0.000 1.230 340 A HN 0.631 nan 8.150 nan 0.000 0.448 341 S N 0.840 116.710 115.700 0.282 0.000 2.548 341 S HA 0.712 5.353 4.470 0.284 0.000 0.278 341 S C -1.431 173.424 174.600 0.425 0.000 1.150 341 S CA -0.416 57.964 58.200 0.300 0.000 0.907 341 S CB 0.885 64.243 63.200 0.264 0.000 1.108 341 S HN 1.763 nan 8.310 nan 0.000 0.459 342 Y N 0.672 121.135 120.300 0.273 0.000 2.689 342 Y HA 0.881 5.613 4.550 0.304 0.000 0.333 342 Y C -0.428 175.564 175.900 0.152 0.000 1.208 342 Y CA -0.482 57.791 58.100 0.289 0.000 1.055 342 Y CB 0.693 39.365 38.460 0.353 0.000 1.304 342 Y HN 0.907 nan 8.280 nan 0.000 0.455 343 G N -0.020 108.983 108.800 0.339 0.000 2.692 343 G HA2 0.545 4.676 3.960 0.284 0.000 0.291 343 G HA3 0.545 4.676 3.960 0.284 0.000 0.291 343 G C -1.926 173.286 174.900 0.520 0.000 1.423 343 G CA -1.042 44.183 45.100 0.208 0.000 0.843 343 G HN 0.681 nan 8.290 nan 0.000 0.486 344 T N 0.161 115.025 114.554 0.516 0.000 2.879 344 T HA 0.737 5.257 4.350 0.284 0.000 0.290 344 T C -0.963 173.902 174.700 0.274 0.000 0.993 344 T CA -0.300 62.016 62.100 0.360 0.000 0.975 344 T CB 1.715 70.853 68.868 0.450 0.000 0.981 344 T HN 0.773 nan 8.240 nan 0.000 0.439 345 T N 5.101 119.688 114.554 0.055 0.000 3.193 345 T HA 0.536 5.056 4.350 0.284 0.000 0.332 345 T C -3.098 171.576 174.700 -0.043 0.000 1.208 345 T CA -1.344 60.694 62.100 -0.102 0.000 1.080 345 T CB 1.797 70.318 68.868 -0.579 0.000 1.180 345 T HN 0.277 nan 8.240 nan 0.000 0.469 346 P HA 0.281 nan 4.420 nan 0.000 0.287 346 P C 0.486 177.790 177.300 0.006 0.000 1.294 346 P CA -0.523 62.588 63.100 0.018 0.000 0.776 346 P CB 1.190 32.903 31.700 0.022 0.000 0.889 347 L N 2.571 123.817 121.223 0.038 0.000 2.131 347 L HA 0.027 4.537 4.340 0.284 0.000 0.206 347 L C 1.389 178.284 176.870 0.042 0.000 1.087 347 L CA 1.685 56.538 54.840 0.022 0.000 0.767 347 L CB -0.764 41.314 42.059 0.031 0.000 0.917 347 L HN 0.573 nan 8.230 nan 0.000 0.441 348 S N -2.810 112.943 115.700 0.090 0.000 0.000 348 S HA 0.191 4.831 4.470 0.284 0.000 0.000 348 S C 0.478 175.124 174.600 0.077 0.000 0.000 348 S CA -0.275 57.975 58.200 0.084 0.000 0.000 348 S CB 0.771 64.039 63.200 0.114 0.000 0.000 348 S HN 0.161 nan 8.310 nan 0.000 0.000 349 E N 1.019 121.254 120.200 0.058 0.000 2.515 349 E HA -0.141 4.379 4.350 0.284 0.000 0.201 349 E C 0.542 177.151 176.600 0.014 0.000 1.071 349 E CA 1.695 58.114 56.400 0.031 0.000 0.880 349 E CB -0.861 28.853 29.700 0.025 0.000 0.828 349 E HN 0.822 nan 8.360 nan 0.000 0.540 350 N N -1.843 116.884 118.700 0.046 0.000 2.266 350 N HA 0.073 4.984 4.740 0.284 0.000 0.217 350 N C -0.253 175.186 175.510 -0.118 0.000 1.211 350 N CA -0.512 52.517 53.050 -0.035 0.000 0.881 350 N CB -0.034 38.444 38.487 -0.014 0.000 1.153 350 N HN -0.035 nan 8.380 nan 0.000 0.489 351 W N 1.266 122.537 121.300 -0.048 0.000 2.573 351 W HA 0.692 5.515 4.660 0.273 0.000 0.326 351 W C -0.650 175.831 176.519 -0.064 0.000 1.049 351 W CA -0.388 56.929 57.345 -0.046 0.000 1.220 351 W CB 2.066 31.510 29.460 -0.027 0.000 1.373 351 W HN -0.212 nan 8.180 nan 0.000 0.507 352 S N 1.810 117.609 115.700 0.166 0.000 2.547 352 S HA 0.638 5.278 4.470 0.284 0.000 0.281 352 S C -1.494 173.290 174.600 0.307 0.000 1.118 352 S CA -0.742 57.515 58.200 0.094 0.000 0.947 352 S CB 1.917 64.973 63.200 -0.239 0.000 1.053 352 S HN 0.288 nan 8.310 nan 0.000 0.482 353 V N 2.255 122.344 119.914 0.291 0.000 2.735 353 V HA 0.928 5.219 4.120 0.284 0.000 0.310 353 V C -1.140 174.958 176.094 0.008 0.000 1.061 353 V CA -0.570 61.855 62.300 0.208 0.000 0.913 353 V CB 1.668 33.534 31.823 0.072 0.000 1.005 353 V HN 1.055 nan 8.190 nan 0.000 0.428 354 A N 8.388 131.011 122.820 -0.327 0.000 2.605 354 A HA 0.835 5.326 4.320 0.284 0.000 0.293 354 A C -3.011 174.277 177.584 -0.494 0.000 1.216 354 A CA -1.373 50.237 52.037 -0.712 0.000 0.742 354 A CB 1.258 19.015 19.000 -2.071 0.000 1.170 354 A HN 0.651 nan 8.150 nan 0.000 0.443 355 P HA 0.672 nan 4.420 nan 0.000 0.284 355 P C -0.528 176.798 177.300 0.044 0.000 1.258 355 P CA -0.282 62.801 63.100 -0.029 0.000 0.824 355 P CB 2.064 33.928 31.700 0.273 0.000 1.038 356 A N 2.689 125.465 122.820 -0.074 0.000 2.574 356 A HA 0.752 5.243 4.320 0.284 0.000 0.297 356 A C -0.832 176.805 177.584 0.089 0.000 1.062 356 A CA -0.731 51.384 52.037 0.129 0.000 0.686 356 A CB 1.400 20.505 19.000 0.174 0.000 1.285 356 A HN 0.687 nan 8.150 nan 0.000 0.403 357 M N 2.103 121.838 119.600 0.225 0.000 2.386 357 M HA 0.822 5.472 4.480 0.284 0.000 0.293 357 M C -2.273 174.166 176.300 0.231 0.000 1.120 357 M CA -0.492 54.957 55.300 0.248 0.000 0.909 357 M CB 1.973 34.755 32.600 0.304 0.000 1.661 357 M HN 0.546 nan 8.290 nan 0.000 0.452 358 L N 3.729 125.100 121.223 0.246 0.000 2.441 358 L HA 0.947 5.458 4.340 0.284 0.000 0.270 358 L C -1.440 175.640 176.870 0.350 0.000 0.973 358 L CA -0.413 54.597 54.840 0.285 0.000 0.842 358 L CB 1.906 44.150 42.059 0.307 0.000 1.239 358 L HN 1.096 nan 8.230 nan 0.000 0.406 359 A N 4.503 127.411 122.820 0.145 0.000 2.414 359 A HA 0.776 5.266 4.320 0.284 0.000 0.306 359 A C -1.312 176.044 177.584 -0.380 0.000 1.054 359 A CA -0.473 51.527 52.037 -0.062 0.000 0.724 359 A CB 2.351 21.362 19.000 0.018 0.000 1.267 359 A HN 0.673 nan 8.150 nan 0.000 0.418 360 Q N 0.733 120.025 119.800 -0.847 0.000 2.340 360 Q HA 0.583 5.094 4.340 0.284 0.000 0.276 360 Q C -1.390 174.271 176.000 -0.564 0.000 1.048 360 Q CA -0.632 54.699 55.803 -0.787 0.000 0.832 360 Q CB 2.044 30.087 28.738 -1.159 0.000 1.373 360 Q HN 0.787 nan 8.270 nan 0.000 0.409 361 R N 1.911 122.273 120.500 -0.230 0.000 2.451 361 R HA 0.504 5.015 4.340 0.284 0.000 0.307 361 R C -1.779 174.517 176.300 -0.008 0.000 0.965 361 R CA -0.130 55.919 56.100 -0.084 0.000 0.865 361 R CB 1.824 32.132 30.300 0.013 0.000 1.174 361 R HN 0.498 nan 8.270 nan 0.000 0.455 362 S N 3.868 119.568 115.700 -0.000 0.000 2.707 362 S HA 0.444 5.085 4.470 0.284 0.000 0.303 362 S C -1.139 173.498 174.600 0.062 0.000 1.132 362 S CA -0.763 57.447 58.200 0.016 0.000 1.046 362 S CB 0.676 63.862 63.200 -0.025 0.000 1.004 362 S HN 0.437 nan 8.310 nan 0.000 0.483 363 K N 2.217 122.636 120.400 0.032 0.000 2.156 363 K HA 0.322 4.812 4.320 0.284 0.000 0.250 363 K C -0.375 176.210 176.600 -0.024 0.000 0.955 363 K CA -0.548 55.754 56.287 0.025 0.000 0.855 363 K CB 0.984 33.513 32.500 0.048 0.000 1.101 363 K HN 0.707 nan 8.250 nan 0.000 0.434 364 D N 1.151 121.537 120.400 -0.025 0.000 2.733 364 D HA -0.239 4.572 4.640 0.284 0.000 0.232 364 D C 1.068 177.281 176.300 -0.145 0.000 1.161 364 D CA 0.797 54.762 54.000 -0.059 0.000 0.653 364 D CB -0.418 40.357 40.800 -0.041 0.000 1.052 364 D HN 0.545 nan 8.370 nan 0.000 0.424 365 R N -0.853 119.529 120.500 -0.196 0.000 2.064 365 R HA -0.154 4.357 4.340 0.284 0.000 0.228 365 R C 1.468 177.391 176.300 -0.628 0.000 1.144 365 R CA 1.630 57.438 56.100 -0.486 0.000 0.932 365 R CB 0.026 29.943 30.300 -0.639 0.000 0.833 365 R HN 0.291 nan 8.270 nan 0.000 0.429 366 Y N -2.121 118.019 120.300 -0.268 0.000 2.526 366 Y HA 0.466 5.187 4.550 0.284 0.000 0.265 366 Y C 0.213 175.895 175.900 -0.363 0.000 1.092 366 Y CA -0.063 57.719 58.100 -0.531 0.000 1.277 366 Y CB 0.610 38.255 38.460 -1.358 0.000 1.228 366 Y HN 0.089 nan 8.280 nan 0.000 0.507 367 A N -0.111 122.666 122.820 -0.073 0.000 2.386 367 A HA 0.456 4.947 4.320 0.284 0.000 0.311 367 A C -1.259 176.327 177.584 0.002 0.000 1.068 367 A CA -0.648 51.396 52.037 0.012 0.000 0.743 367 A CB 0.664 19.717 19.000 0.088 0.000 1.258 367 A HN 0.019 nan 8.150 nan 0.000 0.429 368 D N 1.140 121.546 120.400 0.010 0.000 2.487 368 D HA 0.364 5.175 4.640 0.284 0.000 0.243 368 D C 1.421 177.726 176.300 0.008 0.000 1.154 368 D CA 2.191 56.194 54.000 0.005 0.000 0.876 368 D CB 0.479 41.287 40.800 0.012 0.000 1.161 368 D HN 1.425 nan 8.370 nan 0.000 0.478 369 G N 3.329 112.131 108.800 0.003 0.000 2.159 369 G HA2 -0.260 3.871 3.960 0.284 0.000 0.256 369 G HA3 -0.260 3.871 3.960 0.284 0.000 0.256 369 G C 0.189 175.084 174.900 -0.010 0.000 0.977 369 G CA 0.464 45.566 45.100 0.002 0.000 0.652 369 G HN 0.782 nan 8.290 nan 0.000 0.531 370 D N -0.133 120.260 120.400 -0.013 0.000 2.398 370 D HA 0.670 5.480 4.640 0.284 0.000 0.247 370 D C 0.211 176.473 176.300 -0.063 0.000 1.227 370 D CA 0.006 53.977 54.000 -0.047 0.000 0.980 370 D CB 1.384 42.182 40.800 -0.003 0.000 1.106 370 D HN 0.798 nan 8.370 nan 0.000 0.493 371 S N -0.195 115.395 115.700 -0.184 0.000 2.605 371 S HA 0.407 5.048 4.470 0.284 0.000 0.279 371 S C -2.185 172.269 174.600 -0.242 0.000 1.166 371 S CA -0.874 57.260 58.200 -0.111 0.000 0.975 371 S CB -0.133 63.030 63.200 -0.062 0.000 1.111 371 S HN 0.389 nan 8.310 nan 0.000 0.465 372 Y N 2.845 123.152 120.300 0.013 0.000 2.326 372 Y HA 0.577 5.298 4.550 0.284 0.000 0.331 372 Y C 0.347 176.219 175.900 -0.046 0.000 0.962 372 Y CA -0.505 57.624 58.100 0.049 0.000 1.167 372 Y CB 1.859 40.386 38.460 0.111 0.000 1.148 372 Y HN 0.606 nan 8.280 nan 0.000 0.463 373 Q N 4.786 124.639 119.800 0.088 0.000 2.347 373 Q HA 0.562 5.072 4.340 0.284 0.000 0.271 373 Q C -1.298 174.738 176.000 0.060 0.000 1.064 373 Q CA -0.859 54.911 55.803 -0.054 0.000 0.800 373 Q CB 2.821 31.566 28.738 0.012 0.000 1.304 373 Q HN 0.810 nan 8.270 nan 0.000 0.438 374 W N -0.034 121.301 121.300 0.060 0.000 3.059 374 W HA 0.812 5.641 4.660 0.281 0.000 0.329 374 W C -2.126 174.431 176.519 0.063 0.000 1.246 374 W CA -1.107 56.253 57.345 0.025 0.000 1.190 374 W CB 0.750 30.176 29.460 -0.057 0.000 1.423 374 W HN 0.736 nan 8.180 nan 0.000 0.571 375 A N 1.432 124.565 122.820 0.521 0.000 2.465 375 A HA 0.656 5.147 4.320 0.284 0.000 0.292 375 A C -1.288 176.507 177.584 0.351 0.000 1.041 375 A CA -0.366 51.919 52.037 0.415 0.000 0.718 375 A CB 1.719 20.891 19.000 0.287 0.000 1.266 375 A HN 0.429 nan 8.150 nan 0.000 0.403 376 T N 2.097 116.856 114.554 0.342 0.000 2.797 376 T HA 0.607 5.128 4.350 0.284 0.000 0.279 376 T C -1.213 173.656 174.700 0.281 0.000 0.991 376 T CA -0.008 62.211 62.100 0.198 0.000 0.979 376 T CB 0.566 69.461 68.868 0.046 0.000 0.943 376 T HN 0.594 nan 8.240 nan 0.000 0.444 377 F N 4.396 124.453 119.950 0.177 0.000 2.477 377 F HA 0.527 5.221 4.527 0.279 0.000 0.335 377 F C -0.345 175.551 175.800 0.160 0.000 1.130 377 F CA -0.916 57.198 58.000 0.190 0.000 0.948 377 F CB 0.918 40.061 39.000 0.238 0.000 1.154 377 F HN 0.428 nan 8.300 nan 0.000 0.439 378 N N 6.588 124.899 118.700 -0.649 0.000 2.319 378 N HA 0.505 5.415 4.740 0.284 0.000 0.305 378 N C -2.271 172.809 175.510 -0.717 0.000 1.103 378 N CA -0.506 52.263 53.050 -0.469 0.000 0.815 378 N CB 2.019 40.389 38.487 -0.194 0.000 1.288 378 N HN 0.721 nan 8.380 nan 0.000 0.493 379 L N 3.223 124.218 121.223 -0.380 0.000 2.555 379 L HA 0.400 4.910 4.340 0.284 0.000 0.264 379 L C -1.140 175.655 176.870 -0.125 0.000 0.972 379 L CA -0.415 54.263 54.840 -0.270 0.000 0.876 379 L CB 1.359 43.373 42.059 -0.076 0.000 1.216 379 L HN 0.682 nan 8.230 nan 0.000 0.415 380 R N 4.002 124.348 120.500 -0.257 0.000 2.346 380 R HA 0.794 5.305 4.340 0.284 0.000 0.311 380 R C -1.493 174.823 176.300 0.026 0.000 0.983 380 R CA -0.153 55.850 56.100 -0.161 0.000 0.880 380 R CB 1.333 31.360 30.300 -0.454 0.000 1.100 380 R HN 0.657 nan 8.270 nan 0.000 0.453 381 L N 6.125 127.500 121.223 0.253 0.000 2.410 381 L HA 0.571 5.081 4.340 0.284 0.000 0.270 381 L C -0.852 176.223 176.870 0.341 0.000 0.983 381 L CA -0.723 54.360 54.840 0.404 0.000 0.822 381 L CB 1.883 44.263 42.059 0.535 0.000 1.285 381 L HN 0.577 nan 8.230 nan 0.000 0.409 382 I N 1.339 121.987 120.570 0.129 0.000 2.646 382 I HA 0.540 4.880 4.170 0.284 0.000 0.299 382 I C -0.687 175.105 176.117 -0.541 0.000 1.036 382 I CA -0.651 60.534 61.300 -0.193 0.000 1.074 382 I CB 1.942 39.754 38.000 -0.314 0.000 1.258 382 I HN 0.589 nan 8.210 nan 0.000 0.430 383 Q N 4.151 123.505 119.800 -0.743 0.000 2.337 383 Q HA 0.635 5.146 4.340 0.284 0.000 0.264 383 Q C -1.170 174.444 176.000 -0.642 0.000 1.007 383 Q CA -0.727 54.421 55.803 -1.092 0.000 0.727 383 Q CB 1.966 29.800 28.738 -1.508 0.000 1.256 383 Q HN 0.919 nan 8.270 nan 0.000 0.467 384 A N 4.864 127.396 122.820 -0.480 0.000 2.488 384 A HA 0.263 4.754 4.320 0.284 0.000 0.249 384 A C 0.327 177.757 177.584 -0.256 0.000 1.083 384 A CA 0.010 51.856 52.037 -0.317 0.000 0.768 384 A CB 0.127 19.000 19.000 -0.212 0.000 1.017 384 A HN 0.994 nan 8.150 nan 0.000 0.496 385 I N 1.057 121.497 120.570 -0.216 0.000 3.883 385 I HA 0.092 4.432 4.170 0.284 0.000 0.305 385 I C 0.561 176.680 176.117 0.003 0.000 1.247 385 I CA 0.211 61.455 61.300 -0.094 0.000 1.350 385 I CB 0.217 38.168 38.000 -0.082 0.000 1.194 385 I HN 0.644 nan 8.210 nan 0.000 0.441 386 N N -0.704 118.002 118.700 0.010 0.000 3.513 386 N HA 0.179 5.090 4.740 0.284 0.000 0.351 386 N C 0.186 175.704 175.510 0.014 0.000 1.624 386 N CA -0.435 52.644 53.050 0.048 0.000 0.712 386 N CB 0.443 38.998 38.487 0.115 0.000 2.106 386 N HN -0.118 nan 8.380 nan 0.000 0.649 387 Q N -0.155 119.666 119.800 0.035 0.000 2.402 387 Q HA 0.238 4.748 4.340 0.284 0.000 0.206 387 Q C -0.162 175.863 176.000 0.041 0.000 0.919 387 Q CA 0.941 56.758 55.803 0.024 0.000 0.923 387 Q CB 0.140 28.896 28.738 0.031 0.000 1.048 387 Q HN 0.512 nan 8.270 nan 0.000 0.515 388 N N -1.304 117.445 118.700 0.082 0.000 2.193 388 N HA 0.116 5.027 4.740 0.284 0.000 0.210 388 N C -0.949 174.655 175.510 0.157 0.000 1.215 388 N CA -0.299 52.831 53.050 0.133 0.000 0.901 388 N CB 0.919 39.521 38.487 0.191 0.000 1.060 388 N HN -0.023 nan 8.380 nan 0.000 0.508 389 F N 2.146 122.016 119.950 -0.133 0.000 2.467 389 F HA 0.752 5.452 4.527 0.288 0.000 0.336 389 F C -1.073 174.557 175.800 -0.283 0.000 1.123 389 F CA -1.384 56.417 58.000 -0.332 0.000 0.964 389 F CB 1.098 39.898 39.000 -0.333 0.000 1.136 389 F HN -0.158 nan 8.300 nan 0.000 0.447 390 A N 6.275 128.589 122.820 -0.843 0.000 2.498 390 A HA 0.785 5.275 4.320 0.284 0.000 0.298 390 A C -1.965 175.052 177.584 -0.945 0.000 1.075 390 A CA -0.764 50.807 52.037 -0.778 0.000 0.714 390 A CB 1.501 20.226 19.000 -0.459 0.000 1.299 390 A HN 0.746 nan 8.150 nan 0.000 0.407 391 L N 1.600 122.371 121.223 -0.755 0.000 2.287 391 L HA 0.655 5.166 4.340 0.284 0.000 0.287 391 L C 0.350 176.843 176.870 -0.628 0.000 1.022 391 L CA -0.434 53.994 54.840 -0.687 0.000 0.814 391 L CB 1.589 43.406 42.059 -0.403 0.000 1.217 391 L HN 0.848 nan 8.230 nan 0.000 0.420 392 A N 3.865 126.300 122.820 -0.642 0.000 2.337 392 A HA 0.819 5.310 4.320 0.284 0.000 0.329 392 A C -1.531 175.771 177.584 -0.471 0.000 1.146 392 A CA -0.333 51.478 52.037 -0.378 0.000 0.800 392 A CB 0.847 19.744 19.000 -0.171 0.000 1.220 392 A HN 0.565 nan 8.150 nan 0.000 0.472 393 Y N -0.130 120.242 120.300 0.119 0.000 2.499 393 Y HA 0.690 5.409 4.550 0.281 0.000 0.347 393 Y C 0.075 176.061 175.900 0.144 0.000 0.987 393 Y CA -0.746 57.472 58.100 0.196 0.000 1.044 393 Y CB 2.165 40.787 38.460 0.271 0.000 1.245 393 Y HN 0.777 nan 8.280 nan 0.000 0.461 394 E N 0.719 121.090 120.200 0.286 0.000 2.290 394 E HA 0.688 5.208 4.350 0.284 0.000 0.274 394 E C -1.306 175.405 176.600 0.186 0.000 0.889 394 E CA -0.762 55.746 56.400 0.179 0.000 0.760 394 E CB 1.852 31.618 29.700 0.109 0.000 1.206 394 E HN 0.915 nan 8.360 nan 0.000 0.419 395 G N 1.739 110.634 108.800 0.158 0.000 2.590 395 G HA2 0.536 4.666 3.960 0.284 0.000 0.310 395 G HA3 0.536 4.666 3.960 0.284 0.000 0.310 395 G C -1.132 173.871 174.900 0.172 0.000 1.347 395 G CA -0.442 44.778 45.100 0.200 0.000 0.963 395 G HN 0.333 nan 8.290 nan 0.000 0.494 396 S N 0.385 116.218 115.700 0.222 0.000 2.500 396 S HA 0.622 5.263 4.470 0.284 0.000 0.301 396 S C -1.602 173.199 174.600 0.336 0.000 1.092 396 S CA -0.518 57.806 58.200 0.206 0.000 1.030 396 S CB 1.619 64.900 63.200 0.135 0.000 1.031 396 S HN 0.631 nan 8.310 nan 0.000 0.483 397 Y N 2.394 122.832 120.300 0.230 0.000 2.406 397 Y HA 0.600 5.319 4.550 0.283 0.000 0.340 397 Y C -0.771 175.214 175.900 0.141 0.000 0.975 397 Y CA -0.446 57.763 58.100 0.182 0.000 1.056 397 Y CB 1.382 40.004 38.460 0.270 0.000 1.210 397 Y HN 0.660 nan 8.280 nan 0.000 0.448 398 Q N 5.675 124.952 119.800 -0.870 0.000 2.268 398 Q HA 0.299 4.810 4.340 0.284 0.000 0.266 398 Q C -2.339 173.307 176.000 -0.591 0.000 1.006 398 Q CA -0.821 54.667 55.803 -0.525 0.000 0.824 398 Q CB 2.097 30.662 28.738 -0.289 0.000 1.306 398 Q HN 0.814 nan 8.270 nan 0.000 0.424 399 Y N 4.807 124.905 120.300 -0.336 0.000 2.446 399 Y HA 0.694 5.414 4.550 0.283 0.000 0.338 399 Y C -0.891 175.022 175.900 0.021 0.000 1.055 399 Y CA -0.623 57.395 58.100 -0.137 0.000 1.101 399 Y CB 1.530 40.022 38.460 0.054 0.000 1.221 399 Y HN 0.709 nan 8.280 nan 0.000 0.460 400 M N 3.974 123.096 119.600 -0.796 0.000 2.465 400 M HA 0.458 5.108 4.480 0.284 0.000 0.284 400 M C -2.474 173.529 176.300 -0.495 0.000 1.212 400 M CA -0.783 54.297 55.300 -0.366 0.000 0.910 400 M CB 2.601 35.085 32.600 -0.194 0.000 1.725 400 M HN 0.586 nan 8.290 nan 0.000 0.477 401 D N 3.928 124.241 120.400 -0.145 0.000 2.386 401 D HA 0.565 5.375 4.640 0.284 0.000 0.247 401 D C -1.954 174.333 176.300 -0.021 0.000 1.336 401 D CA -0.131 53.831 54.000 -0.062 0.000 0.976 401 D CB 1.270 42.114 40.800 0.073 0.000 1.257 401 D HN 0.785 nan 8.370 nan 0.000 0.570 402 L N 2.825 124.021 121.223 -0.045 0.000 2.305 402 L HA 0.544 5.055 4.340 0.284 0.000 0.284 402 L C 0.324 177.127 176.870 -0.112 0.000 1.013 402 L CA -0.741 54.047 54.840 -0.086 0.000 0.819 402 L CB 1.826 43.885 42.059 -0.000 0.000 1.227 402 L HN 0.001 nan 8.230 nan 0.000 0.417 403 K N 4.336 124.576 120.400 -0.268 0.000 2.540 403 K HA 0.265 4.756 4.320 0.284 0.000 0.218 403 K C -1.907 174.524 176.600 -0.281 0.000 1.017 403 K CA -1.398 54.781 56.287 -0.180 0.000 1.029 403 K CB 1.638 34.072 32.500 -0.110 0.000 1.348 403 K HN 0.309 nan 8.250 nan 0.000 0.508 404 P HA -0.139 nan 4.420 nan 0.000 0.229 404 P C -0.561 176.790 177.300 0.085 0.000 1.160 404 P CA 0.693 63.791 63.100 -0.003 0.000 0.777 404 P CB 0.308 32.103 31.700 0.158 0.000 0.814 405 E N -0.668 119.552 120.200 0.032 0.000 2.297 405 E HA -0.207 4.314 4.350 0.284 0.000 0.228 405 E C 1.163 177.813 176.600 0.082 0.000 1.213 405 E CA 1.199 57.628 56.400 0.048 0.000 0.712 405 E CB -2.382 27.342 29.700 0.041 0.000 1.202 405 E HN 0.518 nan 8.360 nan 0.000 0.376 406 G N -0.482 108.358 108.800 0.068 0.000 2.234 406 G HA2 -0.433 3.697 3.960 0.284 0.000 0.260 406 G HA3 -0.433 3.697 3.960 0.284 0.000 0.260 406 G C 0.102 175.047 174.900 0.076 0.000 0.987 406 G CA 0.387 45.519 45.100 0.053 0.000 0.625 406 G HN 0.432 nan 8.290 nan 0.000 0.532 407 Y N 1.827 122.136 120.300 0.014 0.000 2.729 407 Y HA 0.325 5.046 4.550 0.284 0.000 0.331 407 Y C 1.283 177.159 175.900 -0.040 0.000 1.208 407 Y CA 0.694 58.804 58.100 0.017 0.000 1.521 407 Y CB 0.132 38.659 38.460 0.111 0.000 1.233 407 Y HN 0.340 nan 8.280 nan 0.000 0.539 408 N N 3.334 121.704 118.700 -0.549 0.000 2.753 408 N HA -0.265 4.645 4.740 0.284 0.000 0.251 408 N C -0.474 174.876 175.510 -0.267 0.000 1.097 408 N CA 1.545 54.310 53.050 -0.474 0.000 0.786 408 N CB -1.053 37.120 38.487 -0.522 0.000 1.137 408 N HN 0.879 nan 8.380 nan 0.000 0.566 409 D N -2.440 117.848 120.400 -0.187 0.000 3.068 409 D HA -0.197 4.614 4.640 0.284 0.000 0.218 409 D C -0.422 175.774 176.300 -0.173 0.000 1.145 409 D CA 0.780 54.694 54.000 -0.143 0.000 0.896 409 D CB -0.545 40.176 40.800 -0.131 0.000 1.105 409 D HN 0.386 nan 8.370 nan 0.000 0.423 410 R N 0.730 121.103 120.500 -0.212 0.000 2.459 410 R HA 0.382 4.893 4.340 0.284 0.000 0.281 410 R C 0.841 177.037 176.300 -0.173 0.000 1.050 410 R CA -0.225 55.661 56.100 -0.356 0.000 1.055 410 R CB 0.784 30.751 30.300 -0.554 0.000 1.045 410 R HN 0.061 nan 8.270 nan 0.000 0.495 411 Q N 0.582 120.303 119.800 -0.132 0.000 2.312 411 Q HA 0.438 4.948 4.340 0.284 0.000 0.263 411 Q C -0.478 175.571 176.000 0.082 0.000 0.995 411 Q CA -0.781 55.017 55.803 -0.007 0.000 0.853 411 Q CB 2.207 30.951 28.738 0.010 0.000 1.300 411 Q HN 0.693 nan 8.270 nan 0.000 0.448 412 A N 1.823 124.683 122.820 0.067 0.000 2.565 412 A HA 0.320 4.810 4.320 0.284 0.000 0.237 412 A C -0.137 177.506 177.584 0.099 0.000 1.053 412 A CA 0.134 52.217 52.037 0.077 0.000 0.755 412 A CB 0.294 19.313 19.000 0.031 0.000 0.980 412 A HN 0.462 nan 8.150 nan 0.000 0.506 413 V N 2.693 122.667 119.914 0.100 0.000 3.147 413 V HA 0.709 5.000 4.120 0.284 0.000 0.306 413 V C -0.944 175.147 176.094 -0.004 0.000 1.209 413 V CA -0.247 62.095 62.300 0.070 0.000 1.023 413 V CB 2.699 34.592 31.823 0.118 0.000 1.059 413 V HN 1.346 nan 8.190 nan 0.000 0.435 414 N N 2.498 121.188 118.700 -0.017 0.000 2.367 414 N HA 0.867 5.777 4.740 0.284 0.000 0.278 414 N C -0.689 174.773 175.510 -0.079 0.000 1.117 414 N CA -0.017 52.974 53.050 -0.097 0.000 0.867 414 N CB 2.474 40.959 38.487 -0.003 0.000 1.649 414 N HN 1.189 nan 8.380 nan 0.000 0.479 415 G N -0.066 108.582 108.800 -0.252 0.000 2.324 415 G HA2 0.418 4.548 3.960 0.284 0.000 0.293 415 G HA3 0.418 4.548 3.960 0.284 0.000 0.293 415 G C -1.726 173.066 174.900 -0.180 0.000 1.297 415 G CA -0.341 44.722 45.100 -0.061 0.000 0.853 415 G HN 1.198 nan 8.290 nan 0.000 0.535 416 S N -1.294 114.419 115.700 0.022 0.000 2.600 416 S HA 0.862 5.503 4.470 0.284 0.000 0.300 416 S C -1.299 173.198 174.600 -0.172 0.000 1.087 416 S CA -0.767 57.347 58.200 -0.144 0.000 0.965 416 S CB 2.428 65.587 63.200 -0.068 0.000 1.089 416 S HN 1.443 nan 8.310 nan 0.000 0.496 417 F N 1.358 120.962 119.950 -0.577 0.000 2.532 417 F HA 0.738 5.435 4.527 0.283 0.000 0.321 417 F C -1.846 173.613 175.800 -0.567 0.000 1.089 417 F CA -0.883 56.893 58.000 -0.374 0.000 0.926 417 F CB 1.449 40.281 39.000 -0.280 0.000 1.168 417 F HN 0.697 nan 8.300 nan 0.000 0.459 418 Y N 3.491 123.615 120.300 -0.294 0.000 2.477 418 Y HA 0.557 5.277 4.550 0.284 0.000 0.347 418 Y C -0.725 175.084 175.900 -0.153 0.000 0.981 418 Y CA -1.154 56.930 58.100 -0.027 0.000 1.033 418 Y CB 2.146 40.652 38.460 0.078 0.000 1.245 418 Y HN 0.476 nan 8.280 nan 0.000 0.455 419 K N 3.288 123.839 120.400 0.252 0.000 2.535 419 K HA 0.652 5.143 4.320 0.284 0.000 0.250 419 K C -2.212 174.528 176.600 0.234 0.000 0.948 419 K CA -0.449 55.952 56.287 0.191 0.000 0.796 419 K CB 1.393 34.037 32.500 0.241 0.000 1.216 419 K HN 0.759 nan 8.250 nan 0.000 0.432 420 L N 3.117 124.481 121.223 0.235 0.000 2.356 420 L HA 0.529 5.040 4.340 0.284 0.000 0.277 420 L C -0.819 176.174 176.870 0.204 0.000 0.996 420 L CA -0.725 54.257 54.840 0.237 0.000 0.822 420 L CB 2.359 44.560 42.059 0.238 0.000 1.256 420 L HN 0.667 nan 8.230 nan 0.000 0.413 421 T N 2.585 117.276 114.554 0.228 0.000 2.921 421 T HA 0.443 4.963 4.350 0.284 0.000 0.297 421 T C -1.223 173.667 174.700 0.316 0.000 1.013 421 T CA -0.398 61.838 62.100 0.227 0.000 0.990 421 T CB 1.711 70.652 68.868 0.121 0.000 1.023 421 T HN 0.266 nan 8.240 nan 0.000 0.447 422 F N 3.118 123.171 119.950 0.171 0.000 2.449 422 F HA 0.732 5.429 4.527 0.283 0.000 0.342 422 F C -0.745 175.117 175.800 0.104 0.000 1.127 422 F CA -1.144 56.910 58.000 0.090 0.000 0.975 422 F CB 0.881 39.982 39.000 0.168 0.000 1.146 422 F HN 0.628 nan 8.300 nan 0.000 0.444 423 A N 7.582 130.042 122.820 -0.600 0.000 2.702 423 A HA 0.603 5.094 4.320 0.284 0.000 0.305 423 A C -2.982 174.316 177.584 -0.477 0.000 1.213 423 A CA -1.643 50.177 52.037 -0.361 0.000 0.745 423 A CB 0.220 19.210 19.000 -0.016 0.000 1.161 423 A HN 0.508 nan 8.150 nan 0.000 0.445 424 P HA 0.219 nan 4.420 nan 0.000 0.264 424 P C -0.146 177.133 177.300 -0.036 0.000 1.193 424 P CA 0.915 63.851 63.100 -0.274 0.000 0.763 424 P CB 0.879 32.636 31.700 0.095 0.000 0.810 425 T N 3.668 118.092 114.554 -0.217 0.000 2.886 425 T HA 0.574 5.094 4.350 0.284 0.000 0.292 425 T C -0.764 173.865 174.700 -0.118 0.000 1.012 425 T CA -0.189 61.875 62.100 -0.059 0.000 0.982 425 T CB 0.530 69.334 68.868 -0.107 0.000 1.018 425 T HN 0.019 nan 8.240 nan 0.000 0.451 426 F N 2.979 123.037 119.950 0.180 0.000 2.495 426 F HA 0.709 5.407 4.527 0.286 0.000 0.327 426 F C 0.549 176.402 175.800 0.089 0.000 1.103 426 F CA -0.748 57.359 58.000 0.177 0.000 0.949 426 F CB 1.706 40.819 39.000 0.187 0.000 1.142 426 F HN 0.476 nan 8.300 nan 0.000 0.457 427 K N -0.399 120.150 120.400 0.248 0.000 2.672 427 K HA 0.589 5.080 4.320 0.284 0.000 0.295 427 K C -0.878 175.791 176.600 0.114 0.000 1.042 427 K CA -0.751 55.621 56.287 0.142 0.000 0.869 427 K CB 1.775 34.321 32.500 0.076 0.000 1.541 427 K HN 0.336 nan 8.250 nan 0.000 0.396 428 V N -2.793 117.168 119.914 0.079 0.000 3.379 428 V HA 0.313 4.604 4.120 0.284 0.000 0.249 428 V C 0.989 177.108 176.094 0.041 0.000 1.184 428 V CA 1.019 63.356 62.300 0.062 0.000 1.106 428 V CB -0.080 31.775 31.823 0.053 0.000 0.826 428 V HN 0.773 nan 8.190 nan 0.000 0.465 429 G N 0.504 109.326 108.800 0.037 0.000 2.583 429 G HA2 0.262 4.392 3.960 0.284 0.000 0.275 429 G HA3 0.262 4.392 3.960 0.284 0.000 0.275 429 G C 0.008 174.911 174.900 0.005 0.000 1.342 429 G CA 0.403 45.519 45.100 0.025 0.000 1.030 429 G HN 0.461 nan 8.290 nan 0.000 0.520 430 S N -0.740 114.960 115.700 -0.001 0.000 2.443 430 S HA 0.083 4.723 4.470 0.284 0.000 0.284 430 S C 1.782 176.342 174.600 -0.067 0.000 1.206 430 S CA -0.655 57.530 58.200 -0.025 0.000 1.074 430 S CB -0.371 62.823 63.200 -0.010 0.000 0.963 430 S HN 0.361 nan 8.310 nan 0.000 0.501 431 I N 4.844 125.356 120.570 -0.097 0.000 2.226 431 I HA -0.092 4.249 4.170 0.284 0.000 0.245 431 I C 2.536 178.499 176.117 -0.257 0.000 1.100 431 I CA 1.284 62.484 61.300 -0.166 0.000 1.374 431 I CB -0.720 37.174 38.000 -0.177 0.000 1.057 431 I HN 0.767 nan 8.210 nan 0.000 0.413 432 G N -0.096 108.575 108.800 -0.215 0.000 2.625 432 G HA2 -0.184 3.947 3.960 0.284 0.000 0.214 432 G HA3 -0.184 3.947 3.960 0.284 0.000 0.214 432 G C 0.369 175.088 174.900 -0.301 0.000 1.132 432 G CA 0.145 45.088 45.100 -0.263 0.000 0.782 432 G HN 0.257 nan 8.290 nan 0.000 0.538 433 D N -0.679 119.592 120.400 -0.214 0.000 2.317 433 D HA 0.288 5.099 4.640 0.284 0.000 0.234 433 D C 0.553 176.747 176.300 -0.177 0.000 1.112 433 D CA -1.033 52.903 54.000 -0.107 0.000 0.840 433 D CB 0.652 41.462 40.800 0.016 0.000 1.078 433 D HN -0.011 nan 8.370 nan 0.000 0.486 434 F N 2.255 122.135 119.950 -0.116 0.000 2.451 434 F HA 0.021 4.704 4.527 0.260 0.000 0.299 434 F C 1.379 176.924 175.800 -0.424 0.000 1.101 434 F CA 0.495 58.352 58.000 -0.238 0.000 1.436 434 F CB -0.081 38.786 39.000 -0.220 0.000 1.074 434 F HN 0.382 nan 8.300 nan 0.000 0.553 435 F N -0.853 119.224 119.950 0.211 0.000 2.678 435 F HA 0.171 4.857 4.527 0.264 0.000 0.305 435 F C 1.149 176.960 175.800 0.018 0.000 1.090 435 F CA -0.732 57.298 58.000 0.051 0.000 1.272 435 F CB -0.950 38.074 39.000 0.040 0.000 1.060 435 F HN -0.298 nan 8.300 nan 0.000 0.576 436 S N 0.770 116.554 115.700 0.140 0.000 2.510 436 S HA 0.250 4.891 4.470 0.284 0.000 0.279 436 S C 1.282 175.928 174.600 0.075 0.000 1.284 436 S CA -0.646 57.610 58.200 0.092 0.000 1.059 436 S CB 1.739 64.969 63.200 0.050 0.000 0.901 436 S HN 0.111 nan 8.310 nan 0.000 0.491 437 R N 1.942 122.490 120.500 0.080 0.000 2.087 437 R HA 0.227 4.738 4.340 0.284 0.000 0.213 437 R C -2.030 174.310 176.300 0.066 0.000 1.137 437 R CA -0.530 55.613 56.100 0.071 0.000 1.022 437 R CB -2.110 28.232 30.300 0.071 0.000 0.920 437 R HN 0.440 nan 8.270 nan 0.000 0.451 438 P HA -0.081 nan 4.420 nan 0.000 0.251 438 P C -0.730 176.610 177.300 0.066 0.000 1.154 438 P CA 0.902 64.040 63.100 0.063 0.000 0.805 438 P CB -0.172 31.561 31.700 0.055 0.000 0.759 439 E N 3.421 123.659 120.200 0.064 0.000 2.335 439 E HA 0.469 4.990 4.350 0.284 0.000 0.280 439 E C -1.541 175.104 176.600 0.075 0.000 0.918 439 E CA -0.828 55.621 56.400 0.083 0.000 0.765 439 E CB 1.285 31.032 29.700 0.078 0.000 1.218 439 E HN 0.150 nan 8.360 nan 0.000 0.425 440 I N 3.906 124.542 120.570 0.110 0.000 2.378 440 I HA 0.437 4.777 4.170 0.284 0.000 0.291 440 I C -0.248 175.928 176.117 0.098 0.000 0.992 440 I CA -0.913 60.420 61.300 0.055 0.000 1.154 440 I CB 1.174 39.198 38.000 0.040 0.000 1.315 440 I HN 0.539 nan 8.210 nan 0.000 0.448 441 R N 5.647 126.130 120.500 -0.028 0.000 2.744 441 R HA 0.607 5.117 4.340 0.284 0.000 0.279 441 R C -1.987 174.171 176.300 -0.237 0.000 0.977 441 R CA -0.620 55.499 56.100 0.031 0.000 0.906 441 R CB 1.724 32.116 30.300 0.153 0.000 1.197 441 R HN 0.241 nan 8.270 nan 0.000 0.463 442 F N 1.734 121.745 119.950 0.101 0.000 2.522 442 F HA 0.605 5.302 4.527 0.284 0.000 0.324 442 F C -0.407 175.368 175.800 -0.042 0.000 1.077 442 F CA -0.480 57.468 58.000 -0.088 0.000 0.944 442 F CB 1.604 40.622 39.000 0.029 0.000 1.175 442 F HN 0.587 nan 8.300 nan 0.000 0.468 443 Y N -1.648 118.808 120.300 0.261 0.000 2.689 443 Y HA 0.805 5.526 4.550 0.285 0.000 0.333 443 Y C -1.274 174.789 175.900 0.273 0.000 1.208 443 Y CA -1.684 56.531 58.100 0.192 0.000 1.055 443 Y CB 1.263 39.784 38.460 0.102 0.000 1.304 443 Y HN 0.412 nan 8.280 nan 0.000 0.455 444 T N 1.392 116.248 114.554 0.503 0.000 2.971 444 T HA 0.691 5.212 4.350 0.284 0.000 0.304 444 T C -1.154 173.708 174.700 0.271 0.000 1.038 444 T CA -0.785 61.514 62.100 0.331 0.000 1.007 444 T CB 1.637 70.774 68.868 0.448 0.000 1.055 444 T HN 0.720 nan 8.240 nan 0.000 0.451 445 S N 2.157 117.921 115.700 0.107 0.000 2.568 445 S HA 0.737 5.378 4.470 0.284 0.000 0.293 445 S C -1.737 172.784 174.600 -0.133 0.000 1.089 445 S CA -0.974 57.258 58.200 0.055 0.000 0.945 445 S CB 1.773 65.009 63.200 0.060 0.000 1.077 445 S HN 0.708 nan 8.310 nan 0.000 0.485 446 W N 3.919 124.966 121.300 -0.422 0.000 2.739 446 W HA 0.687 5.517 4.660 0.283 0.000 0.331 446 W C -2.372 173.938 176.519 -0.347 0.000 1.049 446 W CA -0.904 56.004 57.345 -0.728 0.000 1.234 446 W CB 1.065 29.939 29.460 -0.977 0.000 1.404 446 W HN 0.544 nan 8.180 nan 0.000 0.477 447 M N 5.415 124.367 119.600 -1.080 0.000 2.446 447 M HA 0.273 4.924 4.480 0.284 0.000 0.294 447 M C -1.381 174.186 176.300 -1.222 0.000 1.158 447 M CA -0.378 54.391 55.300 -0.885 0.000 0.899 447 M CB 2.738 35.172 32.600 -0.275 0.000 1.687 447 M HN 0.349 nan 8.290 nan 0.000 0.455 448 D N 1.509 121.366 120.400 -0.906 0.000 2.599 448 D HA 0.738 5.549 4.640 0.284 0.000 0.252 448 D C -2.071 174.075 176.300 -0.258 0.000 1.232 448 D CA 0.212 53.765 54.000 -0.746 0.000 0.819 448 D CB 2.230 42.672 40.800 -0.597 0.000 1.401 448 D HN 0.614 nan 8.370 nan 0.000 0.429 449 W N -0.390 120.763 121.300 -0.246 0.000 3.057 449 W HA 0.563 5.393 4.660 0.284 0.000 0.328 449 W C -1.452 175.073 176.519 0.010 0.000 1.232 449 W CA -0.816 56.473 57.345 -0.094 0.000 1.187 449 W CB 0.031 29.435 29.460 -0.093 0.000 1.417 449 W HN 0.152 nan 8.180 nan 0.000 0.569 450 S N 1.886 117.767 115.700 0.302 0.000 2.516 450 S HA 0.008 4.648 4.470 0.284 0.000 0.282 450 S C 1.360 176.107 174.600 0.245 0.000 1.286 450 S CA 0.071 58.390 58.200 0.200 0.000 1.066 450 S CB 0.831 64.148 63.200 0.195 0.000 0.884 450 S HN 0.572 nan 8.310 nan 0.000 0.491 451 K N 4.005 124.461 120.400 0.093 0.000 2.218 451 K HA -0.193 4.298 4.320 0.284 0.000 0.205 451 K C 1.710 178.420 176.600 0.182 0.000 1.046 451 K CA 1.520 57.873 56.287 0.110 0.000 0.933 451 K CB -0.067 32.450 32.500 0.028 0.000 0.728 451 K HN 0.451 nan 8.250 nan 0.000 0.454 452 K N 1.396 121.888 120.400 0.154 0.000 2.152 452 K HA -0.075 4.415 4.320 0.284 0.000 0.206 452 K C 1.910 178.599 176.600 0.149 0.000 1.048 452 K CA 1.133 57.499 56.287 0.132 0.000 0.933 452 K CB -0.140 32.422 32.500 0.103 0.000 0.721 452 K HN 0.235 nan 8.250 nan 0.000 0.447 453 L N 1.025 122.356 121.223 0.180 0.000 2.265 453 L HA -0.180 4.331 4.340 0.284 0.000 0.215 453 L C 1.599 178.551 176.870 0.137 0.000 1.117 453 L CA 0.586 55.497 54.840 0.120 0.000 0.782 453 L CB -0.599 41.497 42.059 0.062 0.000 0.914 453 L HN 0.215 nan 8.230 nan 0.000 0.441 454 N N 0.412 119.243 118.700 0.218 0.000 2.289 454 N HA -0.144 4.767 4.740 0.284 0.000 0.184 454 N C 1.349 176.951 175.510 0.154 0.000 1.016 454 N CA 0.953 54.129 53.050 0.209 0.000 0.872 454 N CB -0.350 38.288 38.487 0.250 0.000 0.973 454 N HN 0.374 nan 8.380 nan 0.000 0.433 455 N N -0.218 118.570 118.700 0.146 0.000 2.461 455 N HA -0.073 4.838 4.740 0.284 0.000 0.188 455 N C 1.226 176.814 175.510 0.130 0.000 1.134 455 N CA -0.014 53.105 53.050 0.117 0.000 0.878 455 N CB -0.225 38.319 38.487 0.096 0.000 0.972 455 N HN 0.351 nan 8.380 nan 0.000 0.456 456 Y N 1.273 121.587 120.300 0.023 0.000 2.165 456 Y HA -0.040 4.682 4.550 0.286 0.000 0.286 456 Y C 0.715 176.624 175.900 0.015 0.000 1.155 456 Y CA 1.071 59.181 58.100 0.017 0.000 1.164 456 Y CB 0.080 38.543 38.460 0.004 0.000 0.978 456 Y HN 0.033 nan 8.280 nan 0.000 0.513 457 A N -1.635 121.182 122.820 -0.004 0.000 2.609 457 A HA 0.510 5.001 4.320 0.284 0.000 0.291 457 A C 0.622 178.197 177.584 -0.014 0.000 1.096 457 A CA -0.059 51.918 52.037 -0.100 0.000 0.684 457 A CB 0.278 19.209 19.000 -0.115 0.000 1.282 457 A HN 0.212 nan 8.150 nan 0.000 0.412 458 S N -0.552 115.128 115.700 -0.032 0.000 2.483 458 S HA 0.030 4.671 4.470 0.284 0.000 0.221 458 S C 0.481 175.080 174.600 -0.002 0.000 1.030 458 S CA 1.028 59.225 58.200 -0.006 0.000 0.925 458 S CB -0.161 63.030 63.200 -0.015 0.000 0.795 458 S HN 0.769 nan 8.310 nan 0.000 0.511 459 D N 0.967 121.354 120.400 -0.021 0.000 2.358 459 D HA 0.262 5.073 4.640 0.284 0.000 0.224 459 D C -0.093 176.195 176.300 -0.020 0.000 1.123 459 D CA -0.380 53.606 54.000 -0.023 0.000 0.833 459 D CB -0.400 40.375 40.800 -0.042 0.000 0.946 459 D HN 0.118 nan 8.370 nan 0.000 0.505 460 D N 0.040 120.440 120.400 0.000 0.000 2.380 460 D HA 0.429 5.239 4.640 0.284 0.000 0.254 460 D C 1.162 177.455 176.300 -0.012 0.000 1.288 460 D CA 0.084 54.088 54.000 0.007 0.000 1.008 460 D CB 1.191 42.021 40.800 0.050 0.000 1.099 460 D HN 0.060 nan 8.370 nan 0.000 0.537 461 A N 0.039 122.832 122.820 -0.045 0.000 1.887 461 A HA 0.160 4.650 4.320 0.284 0.000 0.210 461 A C 0.895 178.512 177.584 0.056 0.000 1.221 461 A CA 0.151 52.145 52.037 -0.073 0.000 0.635 461 A CB -0.494 18.394 19.000 -0.186 0.000 0.881 461 A HN 0.495 nan 8.150 nan 0.000 0.456 462 L N 0.589 121.798 121.223 -0.023 0.000 2.530 462 L HA 0.370 4.880 4.340 0.284 0.000 0.273 462 L C 1.336 178.308 176.870 0.170 0.000 1.141 462 L CA 0.754 55.573 54.840 -0.035 0.000 0.905 462 L CB -0.116 41.684 42.059 -0.433 0.000 1.202 462 L HN 0.683 nan 8.230 nan 0.000 0.473 463 G N 1.801 110.799 108.800 0.329 0.000 2.201 463 G HA2 -0.261 3.869 3.960 0.284 0.000 0.212 463 G HA3 -0.261 3.869 3.960 0.284 0.000 0.212 463 G C 0.368 175.385 174.900 0.195 0.000 0.994 463 G CA 0.140 45.393 45.100 0.255 0.000 0.644 463 G HN 0.698 nan 8.290 nan 0.000 0.508 464 S N -0.078 115.742 115.700 0.200 0.000 2.617 464 S HA 0.416 5.057 4.470 0.284 0.000 0.255 464 S C 0.106 174.806 174.600 0.167 0.000 1.318 464 S CA 0.190 58.477 58.200 0.144 0.000 0.978 464 S CB 1.172 64.435 63.200 0.104 0.000 0.961 464 S HN 0.306 nan 8.310 nan 0.000 0.582 465 D N 0.379 120.852 120.400 0.123 0.000 2.363 465 D HA 0.289 5.100 4.640 0.284 0.000 0.263 465 D C 1.209 177.604 176.300 0.158 0.000 1.258 465 D CA 1.509 55.581 54.000 0.120 0.000 0.907 465 D CB -0.008 40.842 40.800 0.084 0.000 1.107 465 D HN 1.060 nan 8.370 nan 0.000 0.495 466 G N 3.588 112.494 108.800 0.177 0.000 2.132 466 G HA2 -0.283 3.848 3.960 0.284 0.000 0.234 466 G HA3 -0.283 3.848 3.960 0.284 0.000 0.234 466 G C 0.138 175.241 174.900 0.339 0.000 0.989 466 G CA -0.027 45.198 45.100 0.209 0.000 0.676 466 G HN 0.519 nan 8.290 nan 0.000 0.522 467 F N 1.637 121.682 119.950 0.158 0.000 2.514 467 F HA 0.316 5.013 4.527 0.284 0.000 0.374 467 F C 0.676 176.701 175.800 0.374 0.000 1.532 467 F CA -0.280 57.872 58.000 0.253 0.000 1.082 467 F CB -0.043 39.078 39.000 0.202 0.000 1.610 467 F HN 0.199 nan 8.300 nan 0.000 0.531 468 N N -1.662 117.161 118.700 0.205 0.000 2.166 468 N HA 0.108 5.019 4.740 0.284 0.000 0.222 468 N C 0.392 175.860 175.510 -0.070 0.000 1.282 468 N CA -0.059 53.112 53.050 0.202 0.000 0.890 468 N CB 0.362 38.955 38.487 0.177 0.000 1.114 468 N HN 0.053 nan 8.380 nan 0.000 0.494 469 S N 0.421 116.016 115.700 -0.176 0.000 2.632 469 S HA 0.337 4.977 4.470 0.284 0.000 0.254 469 S C 1.464 175.730 174.600 -0.556 0.000 1.291 469 S CA -0.042 58.002 58.200 -0.260 0.000 0.974 469 S CB 0.558 63.666 63.200 -0.152 0.000 1.016 469 S HN 0.414 nan 8.310 nan 0.000 0.579 470 G N 0.227 108.766 108.800 -0.435 0.000 2.622 470 G HA2 0.310 4.441 3.960 0.284 0.000 0.206 470 G HA3 0.310 4.441 3.960 0.284 0.000 0.206 470 G C 0.575 175.047 174.900 -0.713 0.000 1.458 470 G CA 0.249 45.025 45.100 -0.541 0.000 0.919 470 G HN 0.864 nan 8.290 nan 0.000 0.508 471 G N 0.141 108.666 108.800 -0.458 0.000 2.365 471 G HA2 0.457 4.587 3.960 0.284 0.000 0.249 471 G HA3 0.457 4.587 3.960 0.284 0.000 0.249 471 G C -0.615 173.997 174.900 -0.479 0.000 1.288 471 G CA -0.106 44.527 45.100 -0.780 0.000 0.887 471 G HN 0.249 nan 8.290 nan 0.000 0.524 472 E N 1.701 121.495 120.200 -0.678 0.000 2.216 472 E HA 0.196 4.717 4.350 0.284 0.000 0.260 472 E C -1.076 175.434 176.600 -0.150 0.000 0.880 472 E CA -0.415 55.833 56.400 -0.253 0.000 0.765 472 E CB 1.632 31.134 29.700 -0.329 0.000 1.174 472 E HN 0.527 nan 8.360 nan 0.000 0.417 473 W N 1.695 123.046 121.300 0.084 0.000 2.449 473 W HA 0.415 5.246 4.660 0.285 0.000 0.331 473 W C 0.598 177.117 176.519 -0.001 0.000 1.119 473 W CA -0.226 57.155 57.345 0.059 0.000 1.240 473 W CB 1.393 30.936 29.460 0.138 0.000 1.251 473 W HN 0.331 nan 8.180 nan 0.000 0.576 474 S N 1.261 116.950 115.700 -0.019 0.000 2.588 474 S HA 0.862 5.502 4.470 0.284 0.000 0.275 474 S C -1.361 173.048 174.600 -0.318 0.000 1.130 474 S CA -0.916 57.296 58.200 0.020 0.000 0.855 474 S CB 1.664 64.982 63.200 0.197 0.000 1.116 474 S HN 0.251 nan 8.310 nan 0.000 0.472 475 F N -0.437 119.732 119.950 0.366 0.000 2.626 475 F HA 0.953 5.652 4.527 0.285 0.000 0.311 475 F C 0.725 176.622 175.800 0.160 0.000 1.088 475 F CA 0.022 58.194 58.000 0.288 0.000 0.949 475 F CB 2.184 41.313 39.000 0.214 0.000 1.322 475 F HN 1.216 nan 8.300 nan 0.000 0.461 476 G N -0.181 108.619 108.800 0.000 0.000 2.315 476 G HA2 0.518 4.649 3.960 0.284 0.000 0.294 476 G HA3 0.518 4.649 3.960 0.284 0.000 0.294 476 G C -2.522 171.895 174.900 -0.806 0.000 1.300 476 G CA -0.667 44.278 45.100 -0.259 0.000 0.843 476 G HN 0.694 nan 8.290 nan 0.000 0.527 477 V N -0.049 119.558 119.914 -0.510 0.000 3.007 477 V HA 0.893 5.183 4.120 0.284 0.000 0.311 477 V C -0.337 175.638 176.094 -0.198 0.000 1.120 477 V CA -0.508 61.474 62.300 -0.529 0.000 0.980 477 V CB 1.648 33.200 31.823 -0.452 0.000 1.033 477 V HN 1.447 nan 8.190 nan 0.000 0.429 478 Q N 2.666 122.398 119.800 -0.114 0.000 2.578 478 Q HA 0.785 5.296 4.340 0.284 0.000 0.284 478 Q C -1.418 174.577 176.000 -0.009 0.000 0.960 478 Q CA -1.059 54.761 55.803 0.029 0.000 0.809 478 Q CB 2.260 31.121 28.738 0.205 0.000 1.462 478 Q HN 0.842 nan 8.270 nan 0.000 0.392 479 M N -0.291 119.310 119.600 0.002 0.000 2.664 479 M HA 0.756 5.407 4.480 0.284 0.000 0.314 479 M C -1.153 175.151 176.300 0.007 0.000 1.200 479 M CA -0.289 55.011 55.300 0.000 0.000 0.916 479 M CB 2.305 34.897 32.600 -0.012 0.000 1.717 479 M HN 0.737 nan 8.290 nan 0.000 0.470 480 E N 0.568 120.765 120.200 -0.005 0.000 2.321 480 E HA 0.680 5.200 4.350 0.284 0.000 0.281 480 E C -1.785 174.772 176.600 -0.072 0.000 0.910 480 E CA -0.416 55.945 56.400 -0.066 0.000 0.770 480 E CB 1.762 31.467 29.700 0.008 0.000 1.225 480 E HN 1.027 nan 8.360 nan 0.000 0.417 481 T N 0.074 114.523 114.554 -0.175 0.000 2.754 481 T HA 0.937 5.457 4.350 0.284 0.000 0.296 481 T C -0.945 173.676 174.700 -0.132 0.000 1.205 481 T CA -0.596 61.474 62.100 -0.051 0.000 1.009 481 T CB 1.591 70.533 68.868 0.124 0.000 1.368 481 T HN 0.673 nan 8.240 nan 0.000 0.509 482 A N 0.621 123.456 122.820 0.026 0.000 2.582 482 A HA 0.812 5.303 4.320 0.284 0.000 0.297 482 A C -1.598 175.979 177.584 -0.012 0.000 1.059 482 A CA -1.100 50.851 52.037 -0.143 0.000 0.705 482 A CB 0.729 19.713 19.000 -0.026 0.000 1.279 482 A HN 1.690 nan 8.150 nan 0.000 0.404 483 F N 0.000 119.927 119.950 -0.038 0.000 2.286 483 F HA 0.000 4.697 4.527 0.284 0.000 0.279 483 F CA 0.000 57.989 58.000 -0.018 0.000 1.383 483 F CB 0.000 38.987 39.000 -0.022 0.000 1.145 483 F HN 0.000 nan 8.300 nan 0.000 0.574