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 1tye_1_B DATA FIRST_RESID 1 DATA SEQUENCE GPNIcTTRGV SScQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE PESIEFPVSE ARVLEDRPLS DKGSGDSSQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDcACQAQ 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.891 174.900 -0.014 0.000 0.946 1 G CA 0.000 45.092 45.100 -0.014 0.000 0.502 2 P HA 0.377 nan 4.420 nan 0.000 0.276 2 P C -1.029 176.267 177.300 -0.007 0.000 1.230 2 P CA 0.324 63.419 63.100 -0.009 0.000 0.776 2 P CB 1.668 33.364 31.700 -0.006 0.000 0.888 3 N N 1.301 119.998 118.700 -0.006 0.000 2.571 3 N HA 0.202 4.942 4.740 -0.000 0.000 0.273 3 N C 0.613 176.124 175.510 0.003 0.000 1.340 3 N CA -0.887 52.161 53.050 -0.004 0.000 0.789 3 N CB 1.147 39.627 38.487 -0.010 0.000 1.514 3 N HN 0.249 nan 8.380 nan 0.000 0.499 4 I N 0.538 121.112 120.570 0.006 0.000 2.700 4 I HA -0.188 3.982 4.170 -0.000 0.000 0.261 4 I C 0.784 176.913 176.117 0.019 0.000 1.219 4 I CA 0.896 62.203 61.300 0.012 0.000 1.463 4 I CB -0.126 37.882 38.000 0.013 0.000 1.092 4 I HN 0.681 nan 8.210 nan 0.000 0.452 5 c N -0.036 118.576 118.600 0.020 0.000 2.464 5 c HA -0.037 4.533 4.570 -0.000 0.000 0.278 5 c C 2.593 176.707 174.090 0.039 0.000 1.375 5 c CA 1.181 57.531 56.329 0.035 0.000 1.761 5 c CB -1.007 41.522 42.510 0.032 0.000 1.944 5 c HN 0.529 nan 8.230 nan 0.000 0.509 6 T N 0.667 115.234 114.554 0.022 0.000 3.009 6 T HA -0.095 4.255 4.350 -0.000 0.000 0.258 6 T C 1.920 176.632 174.700 0.020 0.000 1.063 6 T CA 1.705 63.816 62.100 0.019 0.000 1.139 6 T CB -0.579 68.290 68.868 0.002 0.000 0.890 6 T HN 0.733 nan 8.240 nan 0.000 0.471 7 T N 1.842 116.405 114.554 0.016 0.000 2.897 7 T HA -0.148 4.202 4.350 -0.000 0.000 0.271 7 T C 1.712 176.424 174.700 0.019 0.000 1.084 7 T CA 1.048 63.156 62.100 0.014 0.000 1.123 7 T CB -0.320 68.554 68.868 0.011 0.000 0.865 7 T HN 0.634 nan 8.240 nan 0.000 0.496 8 R N 0.571 121.087 120.500 0.027 0.000 2.531 8 R HA 0.420 4.760 4.340 -0.000 0.000 0.316 8 R C 1.059 177.385 176.300 0.043 0.000 0.955 8 R CA -0.303 55.815 56.100 0.029 0.000 1.120 8 R CB -0.138 30.177 30.300 0.024 0.000 1.361 8 R HN 0.226 nan 8.270 nan 0.000 0.534 9 G N 0.892 109.726 108.800 0.057 0.000 2.225 9 G HA2 0.228 4.188 3.960 -0.000 0.000 0.245 9 G HA3 0.228 4.188 3.960 -0.000 0.000 0.245 9 G C 0.395 175.345 174.900 0.084 0.000 1.249 9 G CA -0.291 44.864 45.100 0.091 0.000 0.919 9 G HN 0.058 nan 8.290 nan 0.000 0.486 10 V N 1.747 121.719 119.914 0.097 0.000 2.939 10 V HA 0.184 4.304 4.120 -0.000 0.000 0.228 10 V C 1.939 178.093 176.094 0.100 0.000 1.162 10 V CA 1.665 64.011 62.300 0.076 0.000 1.222 10 V CB 0.483 32.331 31.823 0.042 0.000 1.053 10 V HN 1.077 nan 8.190 nan 0.000 0.504 11 S N -2.267 113.498 115.700 0.108 0.000 2.184 11 S HA 0.142 4.612 4.470 -0.000 0.000 0.253 11 S C 0.383 175.034 174.600 0.084 0.000 0.950 11 S CA 0.470 58.747 58.200 0.128 0.000 1.541 11 S CB 0.031 63.273 63.200 0.070 0.000 1.172 11 S HN 0.515 nan 8.310 nan 0.000 0.577 12 S N -0.013 115.636 115.700 -0.086 0.000 2.568 12 S HA 0.586 5.056 4.470 -0.000 0.000 0.302 12 S C 1.126 175.236 174.600 -0.817 0.000 1.082 12 S CA -0.001 58.011 58.200 -0.313 0.000 1.009 12 S CB 1.406 64.489 63.200 -0.195 0.000 1.069 12 S HN 0.592 nan 8.310 nan 0.000 0.500 13 c N 3.114 120.991 118.600 -1.205 0.000 2.446 13 c HA -0.020 4.550 4.570 -0.000 0.000 0.277 13 c C 2.585 176.276 174.090 -0.666 0.000 1.275 13 c CA 1.705 57.057 56.329 -1.630 0.000 1.727 13 c CB -1.665 40.001 42.510 -1.406 0.000 2.010 13 c HN 1.054 nan 8.230 nan 0.000 0.486 14 Q N -0.073 119.476 119.800 -0.419 0.000 2.045 14 Q HA -0.288 4.052 4.340 -0.000 0.000 0.206 14 Q C 2.310 178.212 176.000 -0.163 0.000 0.991 14 Q CA 2.144 57.816 55.803 -0.219 0.000 0.851 14 Q CB -0.341 28.301 28.738 -0.159 0.000 0.911 14 Q HN 0.751 nan 8.270 nan 0.000 0.418 15 Q N -0.624 119.074 119.800 -0.170 0.000 2.234 15 Q HA -0.187 4.153 4.340 -0.000 0.000 0.206 15 Q C 2.373 178.338 176.000 -0.058 0.000 0.980 15 Q CA 1.231 56.977 55.803 -0.095 0.000 0.869 15 Q CB -0.263 28.429 28.738 -0.077 0.000 0.912 15 Q HN 0.528 nan 8.270 nan 0.000 0.436 16 c N 0.104 118.653 118.600 -0.086 0.000 2.450 16 c HA -0.019 4.551 4.570 -0.000 0.000 0.279 16 c C 2.319 176.438 174.090 0.048 0.000 1.335 16 c CA 0.303 56.652 56.329 0.033 0.000 1.749 16 c CB -0.805 41.792 42.510 0.146 0.000 1.963 16 c HN 0.458 nan 8.230 nan 0.000 0.501 17 L N 1.021 122.248 121.223 0.007 0.000 2.179 17 L HA 0.078 4.418 4.340 -0.000 0.000 0.208 17 L C 2.888 179.773 176.870 0.025 0.000 1.096 17 L CA 1.220 56.084 54.840 0.041 0.000 0.779 17 L CB -0.699 41.373 42.059 0.020 0.000 0.922 17 L HN 0.354 nan 8.230 nan 0.000 0.443 18 A N -0.472 122.346 122.820 -0.004 0.000 2.209 18 A HA -0.017 4.303 4.320 -0.000 0.000 0.212 18 A C 2.203 179.789 177.584 0.003 0.000 1.158 18 A CA 0.756 52.788 52.037 -0.009 0.000 0.742 18 A CB -0.390 18.594 19.000 -0.027 0.000 0.790 18 A HN 0.200 nan 8.150 nan 0.000 0.472 19 V N -1.146 118.779 119.914 0.019 0.000 2.379 19 V HA 0.071 4.191 4.120 -0.000 0.000 0.243 19 V C 1.139 177.252 176.094 0.031 0.000 1.035 19 V CA 1.739 64.054 62.300 0.025 0.000 1.035 19 V CB 0.050 31.895 31.823 0.037 0.000 0.673 19 V HN 0.593 nan 8.190 nan 0.000 0.457 20 S N -2.546 113.183 115.700 0.049 0.000 2.565 20 S HA 0.368 4.838 4.470 -0.000 0.000 0.274 20 S C -2.608 172.046 174.600 0.090 0.000 1.144 20 S CA -0.619 57.615 58.200 0.057 0.000 0.849 20 S CB 1.690 64.921 63.200 0.053 0.000 1.103 20 S HN -0.012 nan 8.310 nan 0.000 0.455 21 P HA -0.071 nan 4.420 nan 0.000 0.218 21 P C 1.389 178.828 177.300 0.232 0.000 1.148 21 P CA 1.526 64.696 63.100 0.117 0.000 0.822 21 P CB -0.143 31.604 31.700 0.079 0.000 0.784 22 M N -3.816 115.903 119.600 0.198 0.000 2.595 22 M HA 0.116 4.596 4.480 -0.000 0.000 0.248 22 M C 0.095 176.474 176.300 0.132 0.000 1.119 22 M CA 0.604 56.036 55.300 0.221 0.000 1.079 22 M CB -0.970 31.694 32.600 0.107 0.000 1.472 22 M HN -0.253 nan 8.290 nan 0.000 0.501 23 c N 2.442 121.136 118.600 0.156 0.000 2.536 23 c HA 0.834 5.404 4.570 -0.000 0.000 0.396 23 c C 1.052 175.226 174.090 0.140 0.000 1.279 23 c CA -0.810 55.573 56.329 0.090 0.000 2.148 23 c CB 0.372 42.946 42.510 0.106 0.000 2.584 23 c HN 0.633 nan 8.230 nan 0.000 0.579 24 A N 2.870 125.703 122.820 0.022 0.000 2.392 24 A HA 0.948 5.268 4.320 -0.000 0.000 0.283 24 A C -0.978 176.757 177.584 0.252 0.000 1.197 24 A CA -0.542 51.550 52.037 0.092 0.000 0.895 24 A CB 1.240 20.115 19.000 -0.208 0.000 1.400 24 A HN 0.979 nan 8.150 nan 0.000 0.461 25 W N -1.600 119.714 121.300 0.023 0.000 3.039 25 W HA 0.543 5.203 4.660 -0.000 0.000 0.354 25 W C -2.021 174.506 176.519 0.013 0.000 1.206 25 W CA -0.426 56.931 57.345 0.019 0.000 1.134 25 W CB 1.623 31.106 29.460 0.039 0.000 1.493 25 W HN 0.992 nan 8.180 nan 0.000 0.591 26 c N 2.481 120.682 118.600 -0.664 0.000 3.080 26 c HA 0.297 4.867 4.570 -0.000 0.000 0.388 26 c C 0.234 174.006 174.090 -0.530 0.000 1.079 26 c CA -0.189 55.896 56.329 -0.408 0.000 1.289 26 c CB 0.383 42.709 42.510 -0.307 0.000 1.702 26 c HN 0.540 nan 8.230 nan 0.000 0.516 27 S N 2.775 118.401 115.700 -0.124 0.000 2.677 27 S HA 0.114 4.584 4.470 -0.000 0.000 0.246 27 S C -0.065 174.529 174.600 -0.011 0.000 1.005 27 S CA 0.128 58.344 58.200 0.026 0.000 1.062 27 S CB -0.637 62.715 63.200 0.254 0.000 0.778 27 S HN 0.838 nan 8.310 nan 0.000 0.461 28 D N 1.090 121.445 120.400 -0.076 0.000 2.313 28 D HA 0.217 4.857 4.640 -0.000 0.000 0.239 28 D C 0.813 177.076 176.300 -0.062 0.000 1.142 28 D CA -0.301 53.668 54.000 -0.051 0.000 0.847 28 D CB 1.134 41.900 40.800 -0.057 0.000 1.082 28 D HN 0.075 nan 8.370 nan 0.000 0.480 29 E N 2.438 122.618 120.200 -0.034 0.000 2.268 29 E HA -0.029 4.321 4.350 -0.000 0.000 0.195 29 E C 1.747 178.325 176.600 -0.036 0.000 0.995 29 E CA 0.800 57.181 56.400 -0.032 0.000 0.836 29 E CB -0.134 29.559 29.700 -0.013 0.000 0.763 29 E HN 0.492 nan 8.360 nan 0.000 0.491 30 A N 0.869 123.668 122.820 -0.035 0.000 2.259 30 A HA -0.041 4.279 4.320 -0.000 0.000 0.212 30 A C 0.541 178.099 177.584 -0.043 0.000 1.178 30 A CA 0.546 52.564 52.037 -0.033 0.000 0.734 30 A CB -0.520 18.463 19.000 -0.028 0.000 0.774 30 A HN 0.146 nan 8.150 nan 0.000 0.481 31 L N -0.076 121.112 121.223 -0.058 0.000 2.334 31 L HA 0.340 4.680 4.340 -0.000 0.000 0.275 31 L C -2.370 174.465 176.870 -0.058 0.000 1.036 31 L CA -2.289 52.510 54.840 -0.067 0.000 0.807 31 L CB 1.307 43.306 42.059 -0.101 0.000 1.231 31 L HN -0.021 nan 8.230 nan 0.000 0.438 32 P HA 0.008 nan 4.420 nan 0.000 0.264 32 P C 0.041 177.313 177.300 -0.046 0.000 1.193 32 P CA 0.001 63.077 63.100 -0.041 0.000 0.763 32 P CB 0.369 32.046 31.700 -0.038 0.000 0.810 33 L N 2.601 123.803 121.223 -0.035 0.000 3.168 33 L HA 0.157 4.497 4.340 -0.000 0.000 0.253 33 L C 1.400 178.252 176.870 -0.029 0.000 1.384 33 L CA 0.660 55.481 54.840 -0.033 0.000 1.131 33 L CB -1.089 40.958 42.059 -0.020 0.000 1.552 33 L HN 0.685 nan 8.230 nan 0.000 0.431 34 G N -2.172 106.606 108.800 -0.036 0.000 3.912 34 G HA2 0.012 3.972 3.960 -0.000 0.000 0.203 34 G HA3 0.012 3.972 3.960 -0.000 0.000 0.203 34 G C 0.202 175.079 174.900 -0.039 0.000 1.112 34 G CA -0.205 44.877 45.100 -0.030 0.000 0.871 34 G HN 0.262 nan 8.290 nan 0.000 0.549 35 S N 1.255 116.922 115.700 -0.054 0.000 2.632 35 S HA 0.539 5.009 4.470 -0.000 0.000 0.267 35 S C -2.443 172.108 174.600 -0.082 0.000 1.276 35 S CA -0.648 57.514 58.200 -0.063 0.000 0.998 35 S CB 1.240 64.397 63.200 -0.071 0.000 0.953 35 S HN 0.050 nan 8.310 nan 0.000 0.547 36 P HA 0.277 nan 4.420 nan 0.000 0.265 36 P C 0.168 177.374 177.300 -0.155 0.000 1.222 36 P CA -0.049 62.999 63.100 -0.087 0.000 0.767 36 P CB 0.502 32.163 31.700 -0.066 0.000 0.801 37 R N 2.346 122.724 120.500 -0.203 0.000 2.140 37 R HA 0.099 4.439 4.340 -0.000 0.000 0.213 37 R C 0.138 176.204 176.300 -0.391 0.000 1.059 37 R CA 0.679 56.503 56.100 -0.460 0.000 1.000 37 R CB -0.388 29.536 30.300 -0.627 0.000 0.910 37 R HN 0.506 nan 8.270 nan 0.000 0.455 38 c N 1.199 119.761 118.600 -0.063 0.000 2.281 38 c HA 0.640 5.210 4.570 -0.000 0.000 0.323 38 c C -1.155 172.956 174.090 0.036 0.000 1.270 38 c CA -0.474 55.932 56.329 0.128 0.000 1.559 38 c CB -0.158 42.521 42.510 0.281 0.000 2.239 38 c HN 0.495 nan 8.230 nan 0.000 0.488 39 D N 2.657 123.061 120.400 0.006 0.000 2.792 39 D HA 0.363 5.003 4.640 -0.000 0.000 0.335 39 D C -0.758 175.494 176.300 -0.079 0.000 1.353 39 D CA -0.441 53.538 54.000 -0.034 0.000 0.839 39 D CB 0.839 41.605 40.800 -0.056 0.000 1.396 39 D HN 0.511 nan 8.370 nan 0.000 0.479 40 L N 1.287 122.450 121.223 -0.100 0.000 2.468 40 L HA 0.213 4.553 4.340 -0.000 0.000 0.253 40 L C 2.039 178.772 176.870 -0.228 0.000 1.237 40 L CA -0.042 54.697 54.840 -0.169 0.000 0.823 40 L CB 0.265 42.255 42.059 -0.116 0.000 1.124 40 L HN 0.489 nan 8.230 nan 0.000 0.504 41 K N 0.280 120.484 120.400 -0.327 0.000 2.031 41 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 41 K C 1.730 178.242 176.600 -0.146 0.000 1.049 41 K CA 1.445 57.556 56.287 -0.294 0.000 0.939 41 K CB 0.185 32.467 32.500 -0.363 0.000 0.717 41 K HN 0.562 nan 8.250 nan 0.000 0.438 42 E N 0.758 120.891 120.200 -0.111 0.000 2.110 42 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 42 E C 1.683 178.245 176.600 -0.063 0.000 0.988 42 E CA 1.208 57.568 56.400 -0.066 0.000 0.804 42 E CB -0.195 29.477 29.700 -0.048 0.000 0.745 42 E HN 0.293 nan 8.360 nan 0.000 0.458 43 N N 0.254 118.910 118.700 -0.073 0.000 2.244 43 N HA -0.074 4.666 4.740 -0.000 0.000 0.183 43 N C 1.576 177.044 175.510 -0.069 0.000 1.016 43 N CA 0.768 53.780 53.050 -0.064 0.000 0.866 43 N CB -0.112 38.337 38.487 -0.063 0.000 0.980 43 N HN 0.186 nan 8.380 nan 0.000 0.430 44 L N 0.139 121.311 121.223 -0.085 0.000 2.217 44 L HA 0.022 4.362 4.340 -0.000 0.000 0.211 44 L C 1.906 178.735 176.870 -0.068 0.000 1.107 44 L CA 0.427 55.215 54.840 -0.087 0.000 0.783 44 L CB -0.182 41.816 42.059 -0.102 0.000 0.919 44 L HN 0.138 nan 8.230 nan 0.000 0.442 45 L N -0.257 120.931 121.223 -0.058 0.000 2.072 45 L HA -0.180 4.160 4.340 -0.000 0.000 0.205 45 L C 2.598 179.446 176.870 -0.037 0.000 1.079 45 L CA 1.124 55.939 54.840 -0.042 0.000 0.752 45 L CB -0.388 41.651 42.059 -0.033 0.000 0.906 45 L HN 0.214 nan 8.230 nan 0.000 0.436 46 K N -0.113 120.263 120.400 -0.039 0.000 2.211 46 K HA -0.195 4.125 4.320 -0.000 0.000 0.203 46 K C 1.470 178.048 176.600 -0.037 0.000 1.050 46 K CA 1.117 57.384 56.287 -0.034 0.000 0.945 46 K CB 0.047 32.528 32.500 -0.032 0.000 0.732 46 K HN 0.198 nan 8.250 nan 0.000 0.451 47 D N 0.988 121.361 120.400 -0.046 0.000 2.324 47 D HA -0.028 4.612 4.640 -0.000 0.000 0.235 47 D C -0.849 175.421 176.300 -0.051 0.000 1.095 47 D CA 0.203 54.173 54.000 -0.051 0.000 0.871 47 D CB -0.145 40.616 40.800 -0.065 0.000 0.906 47 D HN 0.252 nan 8.370 nan 0.000 0.522 48 N N -0.032 118.642 118.700 -0.043 0.000 2.681 48 N HA -0.183 4.557 4.740 -0.000 0.000 0.259 48 N C -0.993 174.491 175.510 -0.044 0.000 1.066 48 N CA 0.059 53.087 53.050 -0.038 0.000 0.717 48 N CB -1.556 36.912 38.487 -0.032 0.000 0.885 48 N HN 0.147 nan 8.380 nan 0.000 0.547 49 c N 1.094 119.666 118.600 -0.048 0.000 2.341 49 c HA 0.730 5.300 4.570 -0.000 0.000 0.338 49 c C 1.157 175.228 174.090 -0.032 0.000 1.257 49 c CA -0.523 55.775 56.329 -0.053 0.000 1.883 49 c CB 0.435 42.902 42.510 -0.071 0.000 2.334 49 c HN 0.624 nan 8.230 nan 0.000 0.524 50 A N 5.533 128.338 122.820 -0.026 0.000 2.444 50 A HA 0.359 4.679 4.320 -0.000 0.000 0.273 50 A C -1.682 175.904 177.584 0.002 0.000 1.136 50 A CA -0.718 51.313 52.037 -0.010 0.000 0.799 50 A CB -0.173 18.823 19.000 -0.006 0.000 1.081 50 A HN 0.745 nan 8.150 nan 0.000 0.509 51 P HA -0.108 nan 4.420 nan 0.000 0.240 51 P C 0.626 177.947 177.300 0.036 0.000 1.186 51 P CA 1.007 64.122 63.100 0.025 0.000 0.755 51 P CB 0.318 32.032 31.700 0.023 0.000 0.870 52 E N -1.460 118.759 120.200 0.031 0.000 2.244 52 E HA 0.010 4.360 4.350 -0.000 0.000 0.196 52 E C 1.632 178.261 176.600 0.050 0.000 0.939 52 E CA 0.890 57.312 56.400 0.037 0.000 0.884 52 E CB -0.721 28.995 29.700 0.027 0.000 0.850 52 E HN 0.312 nan 8.360 nan 0.000 0.481 53 S N 0.498 116.226 115.700 0.046 0.000 2.575 53 S HA 0.208 4.678 4.470 -0.000 0.000 0.215 53 S C 0.996 175.656 174.600 0.100 0.000 0.966 53 S CA -0.384 57.856 58.200 0.067 0.000 0.911 53 S CB -0.404 62.821 63.200 0.042 0.000 0.780 53 S HN 0.024 nan 8.310 nan 0.000 0.514 54 I N 2.422 123.046 120.570 0.090 0.000 2.529 54 I HA 0.247 4.417 4.170 -0.000 0.000 0.284 54 I C 0.240 176.468 176.117 0.184 0.000 1.082 54 I CA 0.014 61.390 61.300 0.125 0.000 1.406 54 I CB 0.674 38.731 38.000 0.094 0.000 1.405 54 I HN 0.147 nan 8.210 nan 0.000 0.548 55 E N 6.605 126.960 120.200 0.259 0.000 2.346 55 E HA 0.206 4.556 4.350 -0.000 0.000 0.239 55 E C -1.424 175.362 176.600 0.310 0.000 0.943 55 E CA -0.417 56.127 56.400 0.241 0.000 0.751 55 E CB 1.204 31.031 29.700 0.212 0.000 1.241 55 E HN 0.315 nan 8.360 nan 0.000 0.423 56 F N 4.540 124.540 119.950 0.082 0.000 2.550 56 F HA 0.432 4.959 4.527 -0.000 0.000 0.348 56 F C -2.369 173.460 175.800 0.049 0.000 1.219 56 F CA -2.585 55.456 58.000 0.068 0.000 1.203 56 F CB 0.578 39.615 39.000 0.062 0.000 1.436 56 F HN 0.096 nan 8.300 nan 0.000 0.541 57 P HA 0.341 nan 4.420 nan 0.000 0.269 57 P C -1.136 175.916 177.300 -0.413 0.000 1.215 57 P CA -0.125 62.851 63.100 -0.206 0.000 0.780 57 P CB 1.039 32.692 31.700 -0.079 0.000 0.898 58 V N -1.916 117.829 119.914 -0.282 0.000 2.925 58 V HA 0.558 4.678 4.120 -0.000 0.000 0.311 58 V C -0.409 175.613 176.094 -0.120 0.000 1.104 58 V CA -0.802 61.343 62.300 -0.258 0.000 0.954 58 V CB 1.976 33.642 31.823 -0.262 0.000 1.022 58 V HN 0.396 nan 8.190 nan 0.000 0.427 59 S N 2.514 118.167 115.700 -0.078 0.000 2.545 59 S HA 0.401 4.871 4.470 -0.000 0.000 0.275 59 S C 0.687 175.277 174.600 -0.016 0.000 1.299 59 S CA 0.066 58.251 58.200 -0.025 0.000 1.048 59 S CB 1.028 64.232 63.200 0.006 0.000 0.938 59 S HN 1.021 nan 8.310 nan 0.000 0.496 60 E N 2.004 122.200 120.200 -0.006 0.000 2.713 60 E HA 0.471 4.821 4.350 -0.000 0.000 0.201 60 E C 0.091 176.703 176.600 0.020 0.000 0.935 60 E CA 0.052 56.453 56.400 0.001 0.000 1.273 60 E CB -0.245 29.446 29.700 -0.015 0.000 1.221 60 E HN 0.734 nan 8.360 nan 0.000 0.547 61 A N 1.868 124.690 122.820 0.004 0.000 1.758 61 A HA -0.179 4.141 4.320 -0.000 0.000 0.226 61 A C -0.411 177.158 177.584 -0.025 0.000 1.327 61 A CA 0.847 52.877 52.037 -0.011 0.000 0.681 61 A CB -1.521 17.514 19.000 0.057 0.000 1.173 61 A HN 0.330 nan 8.150 nan 0.000 0.234 62 R N 0.555 121.025 120.500 -0.050 0.000 2.457 62 R HA 0.525 4.865 4.340 -0.000 0.000 0.284 62 R C 0.098 176.357 176.300 -0.068 0.000 1.024 62 R CA -0.614 55.459 56.100 -0.045 0.000 1.025 62 R CB 1.389 31.665 30.300 -0.039 0.000 1.063 62 R HN 0.506 nan 8.270 nan 0.000 0.493 63 V N 5.216 125.100 119.914 -0.049 0.000 2.405 63 V HA -0.005 4.115 4.120 -0.000 0.000 0.264 63 V C 0.936 176.999 176.094 -0.052 0.000 1.048 63 V CA 0.054 62.321 62.300 -0.055 0.000 0.966 63 V CB 0.552 32.358 31.823 -0.029 0.000 1.015 63 V HN 0.645 nan 8.190 nan 0.000 0.477 64 L N 4.147 125.330 121.223 -0.067 0.000 1.995 64 L HA 0.130 4.470 4.340 -0.000 0.000 0.206 64 L C 1.298 178.141 176.870 -0.044 0.000 1.098 64 L CA 1.256 56.061 54.840 -0.057 0.000 0.762 64 L CB -0.347 41.670 42.059 -0.069 0.000 0.900 64 L HN 0.845 nan 8.230 nan 0.000 0.441 65 E N 0.530 120.701 120.200 -0.048 0.000 2.166 65 E HA 0.406 4.756 4.350 -0.000 0.000 0.275 65 E C -1.272 175.310 176.600 -0.030 0.000 0.941 65 E CA -0.510 55.869 56.400 -0.035 0.000 0.784 65 E CB 1.435 31.114 29.700 -0.035 0.000 1.115 65 E HN 0.357 nan 8.360 nan 0.000 0.399 66 D N 3.479 123.868 120.400 -0.019 0.000 3.036 66 D HA 0.007 4.647 4.640 -0.000 0.000 0.244 66 D C -0.533 175.766 176.300 -0.002 0.000 1.337 66 D CA -0.697 53.297 54.000 -0.010 0.000 0.829 66 D CB 0.325 41.120 40.800 -0.009 0.000 1.478 66 D HN 0.454 nan 8.370 nan 0.000 0.570 67 R N 0.485 120.984 120.500 -0.001 0.000 2.442 67 R HA 0.448 4.788 4.340 -0.000 0.000 0.291 67 R C -2.489 173.816 176.300 0.008 0.000 1.069 67 R CA -1.130 54.971 56.100 0.002 0.000 1.022 67 R CB -0.557 29.744 30.300 0.002 0.000 0.976 67 R HN -0.004 nan 8.270 nan 0.000 0.443 68 P HA -0.049 nan 4.420 nan 0.000 0.271 68 P C -0.335 176.975 177.300 0.017 0.000 1.228 68 P CA 0.008 63.115 63.100 0.012 0.000 0.797 68 P CB 0.355 32.061 31.700 0.009 0.000 0.914 69 L N 0.356 121.591 121.223 0.021 0.000 2.331 69 L HA 0.193 4.533 4.340 -0.000 0.000 0.278 69 L C 0.914 177.796 176.870 0.019 0.000 1.106 69 L CA -0.348 54.508 54.840 0.027 0.000 0.824 69 L CB 0.240 42.319 42.059 0.034 0.000 1.142 69 L HN 0.350 nan 8.230 nan 0.000 0.443 70 S N 1.255 116.966 115.700 0.017 0.000 2.617 70 S HA 0.076 4.546 4.470 -0.000 0.000 0.255 70 S C 0.245 174.848 174.600 0.006 0.000 1.318 70 S CA -0.403 57.802 58.200 0.009 0.000 0.978 70 S CB 0.481 63.684 63.200 0.005 0.000 0.961 70 S HN 0.659 nan 8.310 nan 0.000 0.582 71 D N 0.451 120.851 120.400 0.001 0.000 2.692 71 D HA 0.221 4.861 4.640 -0.000 0.000 0.290 71 D C -0.168 176.128 176.300 -0.007 0.000 1.455 71 D CA -0.040 53.959 54.000 -0.002 0.000 0.796 71 D CB 0.432 41.233 40.800 0.000 0.000 1.131 71 D HN 0.574 nan 8.370 nan 0.000 0.467 72 K N -2.297 118.097 120.400 -0.010 0.000 2.680 72 K HA 0.624 4.944 4.320 -0.000 0.000 0.295 72 K C -0.060 176.529 176.600 -0.019 0.000 1.052 72 K CA -0.960 55.319 56.287 -0.014 0.000 0.863 72 K CB 1.141 33.635 32.500 -0.010 0.000 1.549 72 K HN -0.168 nan 8.250 nan 0.000 0.391 73 G N -0.201 108.587 108.800 -0.021 0.000 2.937 73 G HA2 0.101 4.061 3.960 -0.000 0.000 0.162 73 G HA3 0.101 4.061 3.960 -0.000 0.000 0.162 73 G C -0.668 174.219 174.900 -0.022 0.000 1.352 73 G CA -0.219 44.866 45.100 -0.024 0.000 0.843 73 G HN 0.404 nan 8.290 nan 0.000 0.965 74 S N 0.854 116.542 115.700 -0.021 0.000 2.505 74 S HA 0.529 4.999 4.470 -0.000 0.000 0.276 74 S C 1.133 175.724 174.600 -0.016 0.000 1.274 74 S CA 0.877 59.065 58.200 -0.020 0.000 1.053 74 S CB 1.241 64.428 63.200 -0.021 0.000 0.919 74 S HN 1.389 nan 8.310 nan 0.000 0.490 75 G N 2.687 111.478 108.800 -0.015 0.000 3.151 75 G HA2 -0.082 3.877 3.960 -0.000 0.000 0.197 75 G HA3 -0.082 3.877 3.960 -0.000 0.000 0.197 75 G C -0.679 174.215 174.900 -0.011 0.000 1.682 75 G CA 0.081 45.174 45.100 -0.012 0.000 1.205 75 G HN 0.682 nan 8.290 nan 0.000 0.510 76 D N 0.410 120.803 120.400 -0.011 0.000 2.400 76 D HA 0.438 5.078 4.640 -0.000 0.000 0.197 76 D C -0.246 176.048 176.300 -0.010 0.000 1.295 76 D CA 0.435 54.429 54.000 -0.009 0.000 0.878 76 D CB 0.842 41.638 40.800 -0.007 0.000 1.659 76 D HN 0.702 nan 8.370 nan 0.000 0.546 77 S N 1.794 117.487 115.700 -0.011 0.000 3.170 77 S HA 0.307 4.777 4.470 -0.000 0.000 0.257 77 S C 1.518 176.113 174.600 -0.008 0.000 1.284 77 S CA 0.048 58.240 58.200 -0.012 0.000 0.973 77 S CB 0.593 63.782 63.200 -0.017 0.000 1.330 77 S HN 0.381 nan 8.310 nan 0.000 0.493 78 S N 3.100 118.796 115.700 -0.006 0.000 2.363 78 S HA -0.135 4.335 4.470 -0.000 0.000 0.218 78 S C 0.388 174.987 174.600 -0.002 0.000 1.035 78 S CA 0.493 58.691 58.200 -0.003 0.000 1.043 78 S CB -0.767 62.432 63.200 -0.003 0.000 0.986 78 S HN 0.869 nan 8.310 nan 0.000 0.423 79 Q N -0.110 119.690 119.800 -0.001 0.000 2.443 79 Q HA 0.702 5.042 4.340 -0.000 0.000 0.241 79 Q C -1.599 174.403 176.000 0.004 0.000 0.880 79 Q CA -0.437 55.368 55.803 0.003 0.000 0.974 79 Q CB 1.709 30.450 28.738 0.005 0.000 1.482 79 Q HN 0.275 nan 8.270 nan 0.000 0.448 80 V N 1.673 121.590 119.914 0.005 0.000 2.975 80 V HA 0.816 4.936 4.120 -0.000 0.000 0.318 80 V C -0.610 175.497 176.094 0.021 0.000 1.077 80 V CA -0.232 62.073 62.300 0.008 0.000 1.000 80 V CB 2.228 34.051 31.823 -0.000 0.000 1.066 80 V HN 0.909 nan 8.190 nan 0.000 0.452 81 T N 2.419 116.989 114.554 0.026 0.000 2.772 81 T HA 0.468 4.818 4.350 -0.000 0.000 0.288 81 T C -0.073 174.662 174.700 0.058 0.000 0.994 81 T CA -0.454 61.670 62.100 0.041 0.000 0.951 81 T CB 1.244 70.129 68.868 0.029 0.000 0.933 81 T HN 0.847 nan 8.240 nan 0.000 0.447 82 Q N 1.511 121.369 119.800 0.097 0.000 2.159 82 Q HA 0.454 4.794 4.340 -0.000 0.000 0.217 82 Q C -0.361 175.725 176.000 0.143 0.000 0.818 82 Q CA -0.505 55.380 55.803 0.136 0.000 1.008 82 Q CB 0.551 29.410 28.738 0.202 0.000 1.148 82 Q HN 0.484 nan 8.270 nan 0.000 0.491 83 V N 0.621 120.595 119.914 0.100 0.000 3.001 83 V HA 0.476 4.596 4.120 -0.000 0.000 0.314 83 V C -0.371 175.754 176.094 0.052 0.000 1.099 83 V CA -0.724 61.618 62.300 0.070 0.000 0.989 83 V CB 2.241 34.099 31.823 0.057 0.000 1.040 83 V HN 0.202 nan 8.190 nan 0.000 0.434 84 S N 2.380 118.110 115.700 0.051 0.000 2.593 84 S HA 0.649 5.119 4.470 -0.000 0.000 0.297 84 S C -2.616 172.002 174.600 0.030 0.000 1.112 84 S CA -1.156 57.069 58.200 0.043 0.000 1.043 84 S CB 1.482 64.713 63.200 0.052 0.000 1.054 84 S HN 0.778 nan 8.310 nan 0.000 0.516 85 P HA -0.167 nan 4.420 nan 0.000 0.014 85 P C -0.271 177.003 177.300 -0.043 0.000 0.518 85 P CA 0.610 63.700 63.100 -0.016 0.000 1.035 85 P CB -0.754 30.938 31.700 -0.014 0.000 1.908 86 Q N -0.263 119.515 119.800 -0.038 0.000 2.364 86 Q HA -0.059 4.281 4.340 -0.000 0.000 0.209 86 Q C 1.060 177.008 176.000 -0.086 0.000 0.977 86 Q CA 1.452 57.227 55.803 -0.046 0.000 0.885 86 Q CB 0.178 28.899 28.738 -0.028 0.000 0.941 86 Q HN 0.479 nan 8.270 nan 0.000 0.464 87 R N 0.465 120.903 120.500 -0.103 0.000 2.508 87 R HA 0.449 4.789 4.340 -0.000 0.000 0.283 87 R C -1.733 174.471 176.300 -0.160 0.000 1.120 87 R CA -0.373 55.643 56.100 -0.141 0.000 0.958 87 R CB 0.859 31.094 30.300 -0.109 0.000 1.215 87 R HN 0.210 nan 8.270 nan 0.000 0.427 88 I N 0.643 121.075 120.570 -0.231 0.000 2.647 88 I HA 0.760 4.930 4.170 -0.000 0.000 0.295 88 I C -0.831 175.138 176.117 -0.247 0.000 1.078 88 I CA -1.146 60.011 61.300 -0.239 0.000 1.048 88 I CB 2.475 40.280 38.000 -0.324 0.000 1.239 88 I HN 0.632 nan 8.210 nan 0.000 0.421 89 A N 6.014 128.726 122.820 -0.179 0.000 2.260 89 A HA 0.657 4.977 4.320 -0.000 0.000 0.312 89 A C -0.843 176.656 177.584 -0.141 0.000 1.321 89 A CA -0.433 51.512 52.037 -0.154 0.000 0.928 89 A CB 0.714 19.647 19.000 -0.111 0.000 1.158 89 A HN 0.730 nan 8.150 nan 0.000 0.542 90 L N 3.420 124.554 121.223 -0.148 0.000 2.262 90 L HA 0.507 4.847 4.340 -0.000 0.000 0.288 90 L C 0.215 177.032 176.870 -0.088 0.000 1.035 90 L CA -0.031 54.756 54.840 -0.087 0.000 0.820 90 L CB 0.665 42.697 42.059 -0.044 0.000 1.204 90 L HN 0.709 nan 8.230 nan 0.000 0.424 91 R N 5.474 125.940 120.500 -0.057 0.000 2.393 91 R HA 0.695 5.035 4.340 -0.000 0.000 0.315 91 R C -1.774 174.522 176.300 -0.008 0.000 0.952 91 R CA -0.734 55.331 56.100 -0.058 0.000 0.842 91 R CB 0.941 31.209 30.300 -0.053 0.000 1.163 91 R HN 0.631 nan 8.270 nan 0.000 0.450 92 L N 1.511 122.753 121.223 0.032 0.000 2.409 92 L HA 0.646 4.986 4.340 -0.000 0.000 0.262 92 L C -0.281 176.666 176.870 0.127 0.000 0.992 92 L CA -1.205 53.683 54.840 0.080 0.000 0.817 92 L CB 1.269 43.392 42.059 0.107 0.000 1.350 92 L HN 0.548 nan 8.230 nan 0.000 0.411 93 R N 0.484 121.026 120.500 0.070 0.000 2.637 93 R HA 0.576 4.916 4.340 -0.000 0.000 0.269 93 R C -2.329 174.009 176.300 0.064 0.000 1.089 93 R CA -1.515 54.621 56.100 0.060 0.000 1.177 93 R CB -0.315 29.995 30.300 0.017 0.000 1.091 93 R HN 0.542 nan 8.270 nan 0.000 0.540 94 P HA -0.091 nan 4.420 nan 0.000 0.261 94 P C -0.743 176.561 177.300 0.006 0.000 1.173 94 P CA 0.692 63.791 63.100 -0.001 0.000 0.760 94 P CB 0.237 31.927 31.700 -0.017 0.000 0.783 95 D N -1.286 119.109 120.400 -0.009 0.000 3.059 95 D HA -0.190 4.450 4.640 -0.000 0.000 0.213 95 D C 0.295 176.604 176.300 0.015 0.000 1.144 95 D CA 1.717 55.715 54.000 -0.003 0.000 0.975 95 D CB -1.001 39.797 40.800 -0.004 0.000 1.125 95 D HN 0.472 nan 8.370 nan 0.000 0.412 96 D N -0.834 119.584 120.400 0.030 0.000 2.411 96 D HA 0.549 5.189 4.640 -0.000 0.000 0.251 96 D C -0.485 175.836 176.300 0.034 0.000 1.201 96 D CA -0.019 54.000 54.000 0.032 0.000 0.996 96 D CB 0.912 41.732 40.800 0.032 0.000 1.101 96 D HN -0.052 nan 8.370 nan 0.000 0.504 97 S N 0.541 116.256 115.700 0.025 0.000 2.677 97 S HA 0.416 4.886 4.470 -0.000 0.000 0.283 97 S C -0.981 173.629 174.600 0.017 0.000 1.159 97 S CA -0.776 57.434 58.200 0.017 0.000 1.001 97 S CB 1.750 64.944 63.200 -0.010 0.000 1.032 97 S HN 0.302 nan 8.310 nan 0.000 0.487 98 K N 3.203 123.627 120.400 0.039 0.000 2.270 98 K HA 0.484 4.804 4.320 -0.000 0.000 0.255 98 K C -0.856 175.760 176.600 0.027 0.000 0.936 98 K CA -0.742 55.577 56.287 0.055 0.000 0.809 98 K CB 0.784 33.345 32.500 0.102 0.000 1.131 98 K HN 0.728 nan 8.250 nan 0.000 0.427 99 N N 3.636 122.325 118.700 -0.017 0.000 2.361 99 N HA 0.490 5.230 4.740 -0.000 0.000 0.302 99 N C -0.757 174.733 175.510 -0.034 0.000 1.074 99 N CA -0.473 52.477 53.050 -0.168 0.000 0.850 99 N CB 1.159 39.546 38.487 -0.167 0.000 1.228 99 N HN 0.406 nan 8.380 nan 0.000 0.491 100 F N -1.116 118.830 119.950 -0.006 0.000 2.691 100 F HA 0.771 5.298 4.527 -0.000 0.000 0.334 100 F C -0.305 175.509 175.800 0.023 0.000 1.107 100 F CA -1.136 56.867 58.000 0.006 0.000 0.991 100 F CB 1.134 40.138 39.000 0.006 0.000 1.400 100 F HN 0.284 nan 8.300 nan 0.000 0.503 101 S N 0.727 116.621 115.700 0.323 0.000 2.600 101 S HA 0.807 5.277 4.470 -0.000 0.000 0.300 101 S C -1.389 173.369 174.600 0.263 0.000 1.087 101 S CA -0.739 57.592 58.200 0.220 0.000 0.965 101 S CB 1.814 65.089 63.200 0.124 0.000 1.089 101 S HN 0.754 nan 8.310 nan 0.000 0.496 102 I N 2.024 122.732 120.570 0.231 0.000 2.787 102 I HA 0.370 4.540 4.170 -0.000 0.000 0.294 102 I C -2.176 174.058 176.117 0.195 0.000 1.365 102 I CA -0.498 60.931 61.300 0.215 0.000 1.029 102 I CB 1.891 40.055 38.000 0.273 0.000 1.313 102 I HN 0.835 nan 8.210 nan 0.000 0.431 103 Q N 6.621 126.498 119.800 0.129 0.000 2.340 103 Q HA 0.699 5.039 4.340 -0.000 0.000 0.276 103 Q C -1.767 174.275 176.000 0.070 0.000 1.048 103 Q CA -0.884 54.963 55.803 0.074 0.000 0.832 103 Q CB 2.721 31.469 28.738 0.017 0.000 1.373 103 Q HN 0.480 nan 8.270 nan 0.000 0.409 104 V N -0.803 119.145 119.914 0.056 0.000 2.919 104 V HA 0.841 4.961 4.120 -0.000 0.000 0.316 104 V C -0.708 175.427 176.094 0.070 0.000 1.077 104 V CA -0.985 61.351 62.300 0.059 0.000 0.977 104 V CB 1.965 33.785 31.823 -0.005 0.000 1.039 104 V HN 0.989 nan 8.190 nan 0.000 0.441 105 R N 1.680 122.256 120.500 0.126 0.000 2.604 105 R HA 0.497 4.837 4.340 -0.000 0.000 0.281 105 R C -1.173 175.241 176.300 0.190 0.000 1.020 105 R CA -0.690 55.480 56.100 0.118 0.000 0.899 105 R CB 2.167 32.509 30.300 0.070 0.000 1.205 105 R HN 0.879 nan 8.270 nan 0.000 0.450 106 Q N 3.512 123.403 119.800 0.152 0.000 2.369 106 Q HA 0.134 4.474 4.340 -0.000 0.000 0.247 106 Q C -0.483 175.500 176.000 -0.027 0.000 1.083 106 Q CA 0.173 56.034 55.803 0.096 0.000 0.905 106 Q CB 1.330 30.109 28.738 0.068 0.000 1.305 106 Q HN 0.556 nan 8.270 nan 0.000 0.465 107 V N 3.370 123.259 119.914 -0.041 0.000 3.085 107 V HA 0.159 4.279 4.120 -0.000 0.000 0.245 107 V C 0.294 176.316 176.094 -0.119 0.000 1.114 107 V CA 0.492 62.755 62.300 -0.063 0.000 1.108 107 V CB 0.320 32.134 31.823 -0.016 0.000 0.798 107 V HN 0.673 nan 8.190 nan 0.000 0.471 108 E N 1.761 121.861 120.200 -0.167 0.000 2.404 108 E HA 0.114 4.464 4.350 -0.000 0.000 0.261 108 E C -0.658 175.806 176.600 -0.228 0.000 1.074 108 E CA -0.007 56.288 56.400 -0.175 0.000 0.917 108 E CB 0.359 29.936 29.700 -0.204 0.000 0.965 108 E HN 0.446 nan 8.360 nan 0.000 0.433 109 D N 1.230 121.547 120.400 -0.139 0.000 2.345 109 D HA 0.062 4.702 4.640 -0.000 0.000 0.247 109 D C -0.227 176.054 176.300 -0.032 0.000 1.108 109 D CA 0.036 53.982 54.000 -0.090 0.000 0.894 109 D CB 0.361 41.168 40.800 0.013 0.000 1.203 109 D HN 0.198 nan 8.370 nan 0.000 0.430 110 Y N 1.303 121.684 120.300 0.136 0.000 2.526 110 Y HA 0.141 4.691 4.550 -0.000 0.000 0.330 110 Y C -1.647 174.326 175.900 0.123 0.000 1.156 110 Y CA -1.893 56.246 58.100 0.064 0.000 1.419 110 Y CB -0.293 38.128 38.460 -0.065 0.000 1.250 110 Y HN 0.070 nan 8.280 nan 0.000 0.540 111 P HA 0.132 nan 4.420 nan 0.000 0.271 111 P C -1.077 176.323 177.300 0.168 0.000 1.220 111 P CA 0.092 63.285 63.100 0.155 0.000 0.768 111 P CB 0.717 32.480 31.700 0.106 0.000 0.848 112 V N 3.780 123.798 119.914 0.174 0.000 2.709 112 V HA 0.399 4.519 4.120 -0.000 0.000 0.308 112 V C -0.548 175.665 176.094 0.199 0.000 1.062 112 V CA -0.485 61.927 62.300 0.185 0.000 0.901 112 V CB 2.355 34.299 31.823 0.202 0.000 1.003 112 V HN 0.360 nan 8.190 nan 0.000 0.425 113 D N 3.638 124.215 120.400 0.295 0.000 2.502 113 D HA 0.659 5.299 4.640 -0.000 0.000 0.249 113 D C -0.727 175.831 176.300 0.430 0.000 1.092 113 D CA -0.040 54.189 54.000 0.381 0.000 0.839 113 D CB 1.957 43.138 40.800 0.635 0.000 1.264 113 D HN 0.372 nan 8.370 nan 0.000 0.511 114 I N 2.328 123.064 120.570 0.277 0.000 2.433 114 I HA 0.310 4.479 4.170 -0.000 0.000 0.292 114 I C -1.218 175.073 176.117 0.289 0.000 1.001 114 I CA -1.087 60.381 61.300 0.280 0.000 1.119 114 I CB 1.575 39.642 38.000 0.111 0.000 1.289 114 I HN 0.289 nan 8.210 nan 0.000 0.438 115 Y N 6.983 127.443 120.300 0.266 0.000 2.326 115 Y HA 0.380 4.930 4.550 -0.000 0.000 0.331 115 Y C -1.025 175.135 175.900 0.432 0.000 0.962 115 Y CA -0.735 57.502 58.100 0.228 0.000 1.167 115 Y CB 0.961 39.427 38.460 0.009 0.000 1.148 115 Y HN 0.415 nan 8.280 nan 0.000 0.463 116 Y N 6.270 126.542 120.300 -0.047 0.000 2.304 116 Y HA 0.487 5.037 4.550 -0.000 0.000 0.328 116 Y C -1.419 174.517 175.900 0.060 0.000 1.123 116 Y CA -1.008 57.154 58.100 0.103 0.000 1.218 116 Y CB 0.961 39.553 38.460 0.221 0.000 1.207 116 Y HN 0.622 nan 8.280 nan 0.000 0.495 117 L N 7.238 128.473 121.223 0.021 0.000 2.345 117 L HA 0.454 4.794 4.340 -0.000 0.000 0.274 117 L C -0.989 175.813 176.870 -0.114 0.000 0.999 117 L CA -0.411 54.533 54.840 0.174 0.000 0.849 117 L CB 0.737 43.121 42.059 0.542 0.000 1.220 117 L HN 0.628 nan 8.230 nan 0.000 0.422 118 M N 3.284 122.786 119.600 -0.163 0.000 2.108 118 M HA 0.243 4.723 4.480 -0.000 0.000 0.354 118 M C -0.278 175.659 176.300 -0.604 0.000 1.229 118 M CA -0.401 54.681 55.300 -0.363 0.000 1.081 118 M CB 0.863 33.343 32.600 -0.201 0.000 1.606 118 M HN 0.401 nan 8.290 nan 0.000 0.467 119 D N 3.902 123.820 120.400 -0.804 0.000 2.336 119 D HA 0.136 4.776 4.640 -0.000 0.000 0.249 119 D C -0.614 175.337 176.300 -0.581 0.000 1.213 119 D CA -0.177 53.116 54.000 -1.179 0.000 0.870 119 D CB 0.893 41.281 40.800 -0.685 0.000 1.076 119 D HN 0.390 nan 8.370 nan 0.000 0.483 120 L N 3.565 124.488 121.223 -0.501 0.000 3.062 120 L HA 0.153 4.493 4.340 -0.000 0.000 0.255 120 L C 0.569 177.355 176.870 -0.141 0.000 1.274 120 L CA -0.194 54.521 54.840 -0.208 0.000 1.047 120 L CB -0.521 41.517 42.059 -0.034 0.000 1.402 120 L HN 0.315 nan 8.230 nan 0.000 0.550 121 S N -2.580 113.023 115.700 -0.162 0.000 2.645 121 S HA 0.083 4.553 4.470 -0.000 0.000 0.266 121 S C 1.236 175.868 174.600 0.053 0.000 1.258 121 S CA -0.269 57.911 58.200 -0.033 0.000 0.990 121 S CB 0.561 63.752 63.200 -0.017 0.000 0.967 121 S HN 0.238 nan 8.310 nan 0.000 0.556 122 Y N 1.866 122.162 120.300 -0.007 0.000 2.207 122 Y HA -0.157 4.393 4.550 -0.000 0.000 0.287 122 Y C 2.781 178.681 175.900 0.001 0.000 1.156 122 Y CA 2.016 60.121 58.100 0.009 0.000 1.182 122 Y CB -0.837 37.645 38.460 0.036 0.000 0.979 122 Y HN 0.844 nan 8.280 nan 0.000 0.521 123 S N -1.301 114.422 115.700 0.039 0.000 2.500 123 S HA -0.154 4.316 4.470 -0.000 0.000 0.239 123 S C 1.717 176.260 174.600 -0.095 0.000 0.989 123 S CA 1.044 59.221 58.200 -0.038 0.000 0.951 123 S CB -0.373 62.837 63.200 0.017 0.000 0.759 123 S HN 0.341 nan 8.310 nan 0.000 0.523 124 M N 1.304 120.842 119.600 -0.104 0.000 2.558 124 M HA 0.220 4.700 4.480 -0.000 0.000 0.255 124 M C 1.962 178.189 176.300 -0.121 0.000 1.113 124 M CA 0.576 55.810 55.300 -0.110 0.000 1.097 124 M CB -0.915 31.610 32.600 -0.125 0.000 1.426 124 M HN 0.481 nan 8.290 nan 0.000 0.488 125 K N 1.628 121.910 120.400 -0.197 0.000 2.015 125 K HA -0.227 4.093 4.320 -0.000 0.000 0.216 125 K C 1.254 177.781 176.600 -0.122 0.000 1.052 125 K CA 2.249 58.410 56.287 -0.211 0.000 0.937 125 K CB -0.212 32.028 32.500 -0.433 0.000 0.719 125 K HN 0.444 nan 8.250 nan 0.000 0.446 126 D N -0.566 119.761 120.400 -0.121 0.000 2.378 126 D HA -0.145 4.495 4.640 -0.000 0.000 0.227 126 D C 0.389 176.683 176.300 -0.010 0.000 1.012 126 D CA 0.788 54.752 54.000 -0.060 0.000 0.905 126 D CB 0.016 40.778 40.800 -0.064 0.000 0.895 126 D HN 0.336 nan 8.370 nan 0.000 0.532 127 D N 0.065 120.455 120.400 -0.016 0.000 2.449 127 D HA -0.005 4.635 4.640 -0.000 0.000 0.210 127 D C 2.059 178.379 176.300 0.034 0.000 1.094 127 D CA -0.333 53.677 54.000 0.017 0.000 0.846 127 D CB 0.346 41.133 40.800 -0.022 0.000 1.003 127 D HN 0.085 nan 8.370 nan 0.000 0.504 128 L N 0.574 121.805 121.223 0.013 0.000 2.051 128 L HA -0.168 4.172 4.340 -0.000 0.000 0.214 128 L C 2.050 178.934 176.870 0.023 0.000 1.076 128 L CA 1.770 56.611 54.840 0.001 0.000 0.758 128 L CB -0.684 41.372 42.059 -0.005 0.000 0.890 128 L HN 0.163 nan 8.230 nan 0.000 0.433 129 W N -0.245 121.029 121.300 -0.043 0.000 2.355 129 W HA -0.231 4.429 4.660 -0.000 0.000 0.309 129 W C 2.723 179.227 176.519 -0.024 0.000 1.206 129 W CA 2.267 59.590 57.345 -0.035 0.000 1.284 129 W CB -0.417 29.023 29.460 -0.034 0.000 1.145 129 W HN 0.124 nan 8.180 nan 0.000 0.502 130 S N 0.845 116.674 115.700 0.215 0.000 2.370 130 S HA -0.271 4.199 4.470 -0.000 0.000 0.226 130 S C 1.880 176.442 174.600 -0.062 0.000 1.033 130 S CA 2.004 60.269 58.200 0.108 0.000 1.011 130 S CB -0.966 62.335 63.200 0.169 0.000 0.852 130 S HN 0.545 nan 8.310 nan 0.000 0.457 131 I N -0.401 120.147 120.570 -0.035 0.000 2.676 131 I HA -0.092 4.078 4.170 -0.000 0.000 0.259 131 I C 2.090 178.209 176.117 0.003 0.000 1.194 131 I CA 1.157 62.480 61.300 0.037 0.000 1.473 131 I CB -0.439 37.565 38.000 0.006 0.000 1.096 131 I HN 0.208 nan 8.210 nan 0.000 0.443 132 Q N 1.499 121.181 119.800 -0.196 0.000 2.096 132 Q HA -0.162 4.178 4.340 -0.000 0.000 0.197 132 Q C 2.010 177.763 176.000 -0.412 0.000 0.964 132 Q CA 1.839 57.462 55.803 -0.300 0.000 0.838 132 Q CB -0.251 28.270 28.738 -0.362 0.000 0.906 132 Q HN 0.639 nan 8.270 nan 0.000 0.444 133 N N 0.917 119.242 118.700 -0.626 0.000 2.084 133 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 133 N C 1.684 176.994 175.510 -0.333 0.000 1.030 133 N CA 0.906 53.575 53.050 -0.634 0.000 0.849 133 N CB -0.200 37.668 38.487 -1.032 0.000 1.012 133 N HN 0.141 nan 8.380 nan 0.000 0.423 134 L N 0.268 121.345 121.223 -0.242 0.000 2.012 134 L HA 0.087 4.427 4.340 -0.000 0.000 0.210 134 L C 2.200 178.884 176.870 -0.310 0.000 1.073 134 L CA 2.271 57.008 54.840 -0.172 0.000 0.748 134 L CB -1.291 40.744 42.059 -0.041 0.000 0.891 134 L HN 0.309 nan 8.230 nan 0.000 0.431 135 G N -2.205 106.333 108.800 -0.437 0.000 2.450 135 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 135 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 135 G C 1.479 176.269 174.900 -0.184 0.000 1.130 135 G CA 1.236 45.950 45.100 -0.642 0.000 0.760 135 G HN 0.444 nan 8.290 nan 0.000 0.557 136 T N 0.067 114.509 114.554 -0.188 0.000 2.851 136 T HA 0.021 4.371 4.350 -0.000 0.000 0.262 136 T C 2.412 177.060 174.700 -0.087 0.000 1.043 136 T CA 1.202 63.242 62.100 -0.100 0.000 1.140 136 T CB -0.069 68.697 68.868 -0.170 0.000 0.872 136 T HN 0.115 nan 8.240 nan 0.000 0.446 137 K N 0.846 121.171 120.400 -0.125 0.000 2.283 137 K HA 0.136 4.456 4.320 -0.000 0.000 0.202 137 K C 1.784 178.326 176.600 -0.096 0.000 1.048 137 K CA 0.332 56.562 56.287 -0.094 0.000 0.948 137 K CB -0.513 31.937 32.500 -0.085 0.000 0.742 137 K HN 0.112 nan 8.250 nan 0.000 0.458 138 L N 0.198 121.340 121.223 -0.136 0.000 1.988 138 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 138 L C 2.015 178.802 176.870 -0.137 0.000 1.071 138 L CA 2.067 56.819 54.840 -0.146 0.000 0.744 138 L CB -1.153 40.763 42.059 -0.238 0.000 0.893 138 L HN 0.180 nan 8.230 nan 0.000 0.433 139 A N -2.273 120.454 122.820 -0.156 0.000 2.024 139 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 139 A C 2.346 179.866 177.584 -0.106 0.000 1.164 139 A CA 2.292 54.226 52.037 -0.171 0.000 0.643 139 A CB -0.932 17.966 19.000 -0.170 0.000 0.806 139 A HN 0.476 nan 8.150 nan 0.000 0.451 140 T N -1.104 113.402 114.554 -0.080 0.000 2.732 140 T HA -0.113 4.237 4.350 -0.000 0.000 0.261 140 T C 2.150 176.807 174.700 -0.070 0.000 1.040 140 T CA 1.707 63.768 62.100 -0.064 0.000 1.145 140 T CB -0.203 68.635 68.868 -0.050 0.000 0.866 140 T HN 0.597 nan 8.240 nan 0.000 0.427 141 Q N 0.387 120.145 119.800 -0.071 0.000 2.077 141 Q HA -0.096 4.244 4.340 -0.000 0.000 0.206 141 Q C 2.225 178.165 176.000 -0.099 0.000 0.989 141 Q CA 1.731 57.491 55.803 -0.071 0.000 0.853 141 Q CB -0.374 28.330 28.738 -0.056 0.000 0.907 141 Q HN 0.284 nan 8.270 nan 0.000 0.418 142 M N -0.394 119.143 119.600 -0.104 0.000 2.132 142 M HA -0.093 4.387 4.480 -0.000 0.000 0.263 142 M C 2.119 178.333 176.300 -0.143 0.000 1.065 142 M CA 1.522 56.743 55.300 -0.131 0.000 1.122 142 M CB -0.693 31.851 32.600 -0.093 0.000 1.365 142 M HN 0.148 nan 8.290 nan 0.000 0.411 143 R N 0.683 121.118 120.500 -0.108 0.000 2.200 143 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 143 R C 1.801 178.044 176.300 -0.096 0.000 1.127 143 R CA 1.473 57.518 56.100 -0.091 0.000 0.989 143 R CB -0.229 30.028 30.300 -0.071 0.000 0.869 143 R HN 0.351 nan 8.270 nan 0.000 0.459 144 K N -1.176 119.161 120.400 -0.106 0.000 2.314 144 K HA 0.019 4.339 4.320 -0.000 0.000 0.198 144 K C 1.072 177.587 176.600 -0.141 0.000 1.045 144 K CA 0.408 56.636 56.287 -0.099 0.000 0.988 144 K CB 0.184 32.639 32.500 -0.076 0.000 0.783 144 K HN 0.073 nan 8.250 nan 0.000 0.484 145 L N 0.058 121.144 121.223 -0.228 0.000 2.408 145 L HA 0.087 4.427 4.340 -0.000 0.000 0.215 145 L C 0.560 177.151 176.870 -0.464 0.000 1.081 145 L CA 1.056 55.652 54.840 -0.407 0.000 0.840 145 L CB 0.884 42.566 42.059 -0.628 0.000 1.002 145 L HN -0.068 nan 8.230 nan 0.000 0.468 146 T N -2.337 112.042 114.554 -0.292 0.000 3.237 146 T HA 0.159 4.509 4.350 -0.000 0.000 0.319 146 T C 0.707 175.364 174.700 -0.071 0.000 1.037 146 T CA 0.051 62.065 62.100 -0.144 0.000 1.048 146 T CB 0.930 69.760 68.868 -0.064 0.000 1.081 146 T HN 0.110 nan 8.240 nan 0.000 0.455 147 S N 3.596 119.270 115.700 -0.044 0.000 2.660 147 S HA 0.083 4.553 4.470 -0.000 0.000 0.228 147 S C 0.607 175.199 174.600 -0.014 0.000 0.966 147 S CA -0.024 58.157 58.200 -0.032 0.000 0.940 147 S CB -0.389 62.794 63.200 -0.028 0.000 0.773 147 S HN 0.593 nan 8.310 nan 0.000 0.535 148 N N 0.768 119.470 118.700 0.003 0.000 2.626 148 N HA 0.569 5.309 4.740 -0.000 0.000 0.249 148 N C -1.476 174.056 175.510 0.037 0.000 1.021 148 N CA -0.593 52.471 53.050 0.023 0.000 0.886 148 N CB 1.141 39.651 38.487 0.038 0.000 1.149 148 N HN 0.351 nan 8.380 nan 0.000 0.517 149 L N 2.278 123.513 121.223 0.020 0.000 2.409 149 L HA 0.696 5.036 4.340 -0.000 0.000 0.262 149 L C -1.349 175.530 176.870 0.015 0.000 0.992 149 L CA -0.469 54.382 54.840 0.019 0.000 0.817 149 L CB 1.749 43.794 42.059 -0.023 0.000 1.350 149 L HN 0.281 nan 8.230 nan 0.000 0.411 150 R N 5.080 125.598 120.500 0.030 0.000 2.521 150 R HA 0.511 4.851 4.340 -0.000 0.000 0.295 150 R C -1.212 175.086 176.300 -0.003 0.000 1.183 150 R CA -0.320 55.794 56.100 0.023 0.000 0.957 150 R CB 1.386 31.725 30.300 0.065 0.000 1.171 150 R HN 0.771 nan 8.270 nan 0.000 0.494 151 I N 0.481 120.989 120.570 -0.104 0.000 2.793 151 I HA 0.807 4.977 4.170 -0.000 0.000 0.313 151 I C 0.063 176.113 176.117 -0.113 0.000 0.998 151 I CA -0.230 60.933 61.300 -0.229 0.000 1.140 151 I CB 2.022 39.642 38.000 -0.632 0.000 1.327 151 I HN 0.644 nan 8.210 nan 0.000 0.491 152 G N 3.896 112.704 108.800 0.014 0.000 2.550 152 G HA2 0.583 4.543 3.960 -0.000 0.000 0.293 152 G HA3 0.583 4.543 3.960 -0.000 0.000 0.293 152 G C -1.733 173.428 174.900 0.436 0.000 1.402 152 G CA -0.410 44.915 45.100 0.375 0.000 0.784 152 G HN 0.758 nan 8.290 nan 0.000 0.482 153 F N -1.766 118.167 119.950 -0.027 0.000 2.770 153 F HA 0.878 5.405 4.527 -0.000 0.000 0.313 153 F C -0.277 175.356 175.800 -0.278 0.000 1.154 153 F CA -0.678 57.076 58.000 -0.410 0.000 0.923 153 F CB 1.240 40.305 39.000 0.108 0.000 1.301 153 F HN 1.290 nan 8.300 nan 0.000 0.449 154 G N 0.039 108.595 108.800 -0.406 0.000 2.708 154 G HA2 0.925 4.885 3.960 -0.000 0.000 0.289 154 G HA3 0.925 4.885 3.960 -0.000 0.000 0.289 154 G C -2.259 172.740 174.900 0.166 0.000 1.416 154 G CA -0.546 44.510 45.100 -0.073 0.000 0.829 154 G HN 1.454 nan 8.290 nan 0.000 0.480 155 A N -0.788 122.182 122.820 0.250 0.000 2.469 155 A HA 0.977 5.296 4.320 -0.000 0.000 0.299 155 A C -1.116 176.862 177.584 0.656 0.000 1.098 155 A CA -0.718 51.534 52.037 0.359 0.000 0.737 155 A CB 1.495 20.672 19.000 0.295 0.000 1.312 155 A HN 1.931 nan 8.150 nan 0.000 0.414 156 F N -1.063 119.093 119.950 0.343 0.000 2.662 156 F HA 0.813 5.340 4.527 -0.000 0.000 0.312 156 F C -0.510 175.199 175.800 -0.152 0.000 1.113 156 F CA -0.765 57.349 58.000 0.190 0.000 0.951 156 F CB 0.919 40.107 39.000 0.314 0.000 1.344 156 F HN 0.367 nan 8.300 nan 0.000 0.462 157 V N -0.921 118.973 119.914 -0.033 0.000 4.138 157 V HA 0.383 4.503 4.120 -0.000 0.000 0.171 157 V C -0.965 175.215 176.094 0.142 0.000 1.315 157 V CA 0.757 62.981 62.300 -0.126 0.000 1.238 157 V CB 0.832 32.391 31.823 -0.441 0.000 1.358 157 V HN 0.926 nan 8.190 nan 0.000 0.587 158 D N -1.152 119.307 120.400 0.099 0.000 2.871 158 D HA 0.198 4.838 4.640 -0.000 0.000 0.330 158 D C -1.605 174.770 176.300 0.125 0.000 1.364 158 D CA -0.565 53.521 54.000 0.143 0.000 0.759 158 D CB 1.199 42.048 40.800 0.082 0.000 1.325 158 D HN 0.050 nan 8.370 nan 0.000 0.452 159 K N 1.232 121.693 120.400 0.103 0.000 2.383 159 K HA 0.316 4.636 4.320 -0.000 0.000 0.286 159 K C -2.115 174.604 176.600 0.198 0.000 1.051 159 K CA -1.223 55.140 56.287 0.127 0.000 0.974 159 K CB 0.681 33.240 32.500 0.098 0.000 0.968 159 K HN -0.003 nan 8.250 nan 0.000 0.475 160 P HA 0.004 nan 4.420 nan 0.000 0.235 160 P C -1.113 176.234 177.300 0.079 0.000 1.720 160 P CA 0.161 63.322 63.100 0.100 0.000 1.003 160 P CB 0.159 31.899 31.700 0.067 0.000 1.968 161 V N -0.378 119.604 119.914 0.112 0.000 2.971 161 V HA 0.306 4.426 4.120 -0.000 0.000 0.309 161 V C 0.271 176.317 176.094 -0.079 0.000 1.130 161 V CA -0.920 61.389 62.300 0.015 0.000 0.964 161 V CB 2.274 34.095 31.823 -0.003 0.000 1.029 161 V HN 0.078 nan 8.190 nan 0.000 0.427 162 S N 3.966 119.593 115.700 -0.120 0.000 2.560 162 S HA 0.218 4.688 4.470 -0.000 0.000 0.284 162 S C -1.278 173.110 174.600 -0.353 0.000 1.327 162 S CA -0.427 57.664 58.200 -0.182 0.000 1.055 162 S CB 0.923 64.049 63.200 -0.123 0.000 0.868 162 S HN 0.741 nan 8.310 nan 0.000 0.506 163 P HA 0.105 nan 4.420 nan 0.000 0.261 163 P C 0.262 177.408 177.300 -0.257 0.000 1.268 163 P CA 0.175 63.088 63.100 -0.311 0.000 0.833 163 P CB -0.004 31.547 31.700 -0.248 0.000 1.231 164 Y N 0.242 120.500 120.300 -0.071 0.000 2.163 164 Y HA 0.053 4.603 4.550 -0.000 0.000 0.288 164 Y C 1.888 177.708 175.900 -0.133 0.000 1.136 164 Y CA 0.392 58.458 58.100 -0.057 0.000 1.147 164 Y CB -1.121 37.357 38.460 0.029 0.000 0.987 164 Y HN -0.026 nan 8.280 nan 0.000 0.509 165 M N 0.102 119.731 119.600 0.049 0.000 2.216 165 M HA 0.242 4.722 4.480 -0.000 0.000 0.356 165 M C -1.450 174.814 176.300 -0.059 0.000 1.205 165 M CA -0.558 54.757 55.300 0.024 0.000 1.122 165 M CB 0.575 33.222 32.600 0.077 0.000 1.571 165 M HN 0.087 nan 8.290 nan 0.000 0.464 166 Y N 5.274 125.595 120.300 0.035 0.000 2.436 166 Y HA 0.163 4.713 4.550 -0.000 0.000 0.336 166 Y C 0.987 176.888 175.900 0.002 0.000 1.049 166 Y CA -0.069 58.041 58.100 0.015 0.000 1.294 166 Y CB 0.187 38.655 38.460 0.013 0.000 1.179 166 Y HN 0.644 nan 8.280 nan 0.000 0.520 167 I N -0.291 120.348 120.570 0.116 0.000 3.927 167 I HA 0.393 4.563 4.170 -0.000 0.000 0.332 167 I C -0.166 175.974 176.117 0.038 0.000 1.485 167 I CA -0.181 61.152 61.300 0.056 0.000 1.131 167 I CB 0.147 38.156 38.000 0.015 0.000 1.092 167 I HN 0.385 nan 8.210 nan 0.000 0.410 168 S N 0.135 115.872 115.700 0.061 0.000 2.535 168 S HA 0.701 5.171 4.470 -0.000 0.000 0.272 168 S C -2.963 171.648 174.600 0.019 0.000 1.149 168 S CA -0.819 57.393 58.200 0.020 0.000 0.888 168 S CB 1.549 64.764 63.200 0.024 0.000 1.110 168 S HN -0.010 nan 8.310 nan 0.000 0.463 169 P HA 0.440 nan 4.420 nan 0.000 0.286 169 P C -2.109 175.101 177.300 -0.151 0.000 1.293 169 P CA -1.480 61.556 63.100 -0.106 0.000 0.770 169 P CB -0.361 31.240 31.700 -0.165 0.000 1.206 170 P HA -0.155 nan 4.420 nan 0.000 0.219 170 P C 0.898 178.092 177.300 -0.177 0.000 1.146 170 P CA 1.363 64.386 63.100 -0.128 0.000 0.808 170 P CB 0.014 31.654 31.700 -0.099 0.000 0.779 171 E N -0.541 119.458 120.200 -0.335 0.000 2.208 171 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 171 E C 2.079 178.519 176.600 -0.267 0.000 0.988 171 E CA 1.066 57.234 56.400 -0.388 0.000 0.828 171 E CB -1.057 28.143 29.700 -0.834 0.000 0.763 171 E HN 0.144 nan 8.360 nan 0.000 0.478 172 A N 0.865 123.533 122.820 -0.253 0.000 2.019 172 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 172 A C 1.860 179.438 177.584 -0.011 0.000 1.164 172 A CA 0.867 52.855 52.037 -0.081 0.000 0.644 172 A CB -0.379 18.597 19.000 -0.039 0.000 0.805 172 A HN 0.153 nan 8.150 nan 0.000 0.449 173 L N -0.622 120.588 121.223 -0.022 0.000 2.046 173 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 173 L C 2.241 179.124 176.870 0.022 0.000 1.077 173 L CA 2.042 56.890 54.840 0.012 0.000 0.747 173 L CB -1.386 40.672 42.059 -0.002 0.000 0.896 173 L HN 0.398 nan 8.230 nan 0.000 0.432 174 E N -0.987 119.215 120.200 0.004 0.000 2.340 174 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 174 E C 0.472 177.095 176.600 0.038 0.000 0.996 174 E CA 0.141 56.553 56.400 0.021 0.000 0.869 174 E CB 0.122 29.827 29.700 0.009 0.000 0.835 174 E HN 0.195 nan 8.360 nan 0.000 0.493 175 N N -0.416 118.306 118.700 0.036 0.000 2.640 175 N HA 0.190 4.930 4.740 -0.000 0.000 0.262 175 N C -2.523 173.017 175.510 0.050 0.000 1.174 175 N CA -1.921 51.166 53.050 0.061 0.000 0.791 175 N CB 1.252 39.799 38.487 0.100 0.000 1.279 175 N HN -0.255 nan 8.380 nan 0.000 0.535 176 P HA -0.004 nan 4.420 nan 0.000 0.220 176 P C 0.630 177.821 177.300 -0.181 0.000 1.148 176 P CA 0.851 63.918 63.100 -0.056 0.000 0.803 176 P CB 0.286 31.992 31.700 0.010 0.000 0.782 177 c N -3.133 115.394 118.600 -0.121 0.000 2.576 177 c HA 0.023 4.593 4.570 -0.000 0.000 0.267 177 c C 2.319 176.345 174.090 -0.107 0.000 1.364 177 c CA -0.477 55.742 56.329 -0.184 0.000 1.723 177 c CB -2.275 40.157 42.510 -0.131 0.000 1.778 177 c HN 0.269 nan 8.230 nan 0.000 0.572 178 Y N 2.911 123.128 120.300 -0.138 0.000 2.096 178 Y HA -0.325 4.225 4.550 -0.000 0.000 0.278 178 Y C 2.088 177.923 175.900 -0.107 0.000 1.192 178 Y CA 2.418 60.459 58.100 -0.098 0.000 1.143 178 Y CB -0.379 38.034 38.460 -0.079 0.000 0.963 178 Y HN 0.313 nan 8.280 nan 0.000 0.505 179 D N -0.056 120.299 120.400 -0.075 0.000 2.218 179 D HA -0.194 4.446 4.640 -0.000 0.000 0.204 179 D C 1.513 177.694 176.300 -0.198 0.000 0.976 179 D CA 1.552 55.471 54.000 -0.135 0.000 0.853 179 D CB -0.239 40.501 40.800 -0.099 0.000 0.939 179 D HN 0.534 nan 8.370 nan 0.000 0.481 180 M N -0.476 119.003 119.600 -0.201 0.000 2.453 180 M HA 0.117 4.597 4.480 -0.000 0.000 0.239 180 M C 0.261 176.477 176.300 -0.141 0.000 1.151 180 M CA -0.000 55.209 55.300 -0.152 0.000 0.989 180 M CB 0.522 33.038 32.600 -0.140 0.000 1.548 180 M HN -0.215 nan 8.290 nan 0.000 0.479 181 K N -0.164 120.109 120.400 -0.212 0.000 3.472 181 K HA -0.141 4.179 4.320 -0.000 0.000 0.315 181 K C 0.274 176.805 176.600 -0.115 0.000 1.320 181 K CA 1.496 57.669 56.287 -0.191 0.000 0.962 181 K CB -2.477 29.941 32.500 -0.137 0.000 1.251 181 K HN 0.623 nan 8.250 nan 0.000 0.443 182 T N -3.571 110.930 114.554 -0.089 0.000 2.844 182 T HA 0.630 4.980 4.350 -0.000 0.000 0.274 182 T C 0.073 174.763 174.700 -0.017 0.000 0.991 182 T CA -0.223 61.860 62.100 -0.029 0.000 0.983 182 T CB 2.652 71.532 68.868 0.021 0.000 1.310 182 T HN 0.059 nan 8.240 nan 0.000 0.596 183 T N -0.219 114.349 114.554 0.023 0.000 2.971 183 T HA 0.599 4.949 4.350 -0.000 0.000 0.304 183 T C -0.687 174.051 174.700 0.064 0.000 1.038 183 T CA -0.665 61.458 62.100 0.037 0.000 1.007 183 T CB 0.010 68.900 68.868 0.037 0.000 1.055 183 T HN 1.232 nan 8.240 nan 0.000 0.451 184 c N 3.912 122.552 118.600 0.066 0.000 3.154 184 c HA 0.845 5.415 4.570 -0.000 0.000 0.312 184 c C -0.170 173.973 174.090 0.089 0.000 1.349 184 c CA -1.358 55.028 56.329 0.094 0.000 1.518 184 c CB -0.169 42.418 42.510 0.128 0.000 1.934 184 c HN 0.923 nan 8.230 nan 0.000 0.462 185 L N 2.671 123.961 121.223 0.112 0.000 2.473 185 L HA 0.409 4.749 4.340 -0.000 0.000 0.268 185 L C -1.633 175.321 176.870 0.141 0.000 1.215 185 L CA -0.910 54.003 54.840 0.121 0.000 0.823 185 L CB 0.379 42.529 42.059 0.150 0.000 1.099 185 L HN 0.597 nan 8.230 nan 0.000 0.483 186 P HA 0.050 nan 4.420 nan 0.000 0.274 186 P C -0.588 176.851 177.300 0.232 0.000 1.231 186 P CA -0.503 62.681 63.100 0.140 0.000 0.790 186 P CB 0.799 32.558 31.700 0.098 0.000 0.951 187 M N 2.528 122.239 119.600 0.185 0.000 2.250 187 M HA 0.271 4.751 4.480 -0.000 0.000 0.325 187 M C -0.432 176.024 176.300 0.260 0.000 1.084 187 M CA 0.600 56.000 55.300 0.168 0.000 1.161 187 M CB -0.267 32.399 32.600 0.111 0.000 1.481 187 M HN 0.391 nan 8.290 nan 0.000 0.449 188 F N 0.417 120.406 119.950 0.065 0.000 2.688 188 F HA 0.607 5.134 4.527 -0.000 0.000 0.308 188 F C 0.090 175.978 175.800 0.146 0.000 1.117 188 F CA -0.734 57.290 58.000 0.040 0.000 0.976 188 F CB 0.228 39.217 39.000 -0.019 0.000 1.291 188 F HN 0.564 nan 8.300 nan 0.000 0.439 189 G N 0.940 109.900 108.800 0.266 0.000 2.556 189 G HA2 0.092 4.052 3.960 -0.000 0.000 0.215 189 G HA3 0.092 4.052 3.960 -0.000 0.000 0.215 189 G C -1.028 174.185 174.900 0.520 0.000 1.258 189 G CA 1.506 46.797 45.100 0.317 0.000 0.811 189 G HN 0.925 nan 8.290 nan 0.000 0.557 190 Y N -0.142 120.492 120.300 0.556 0.000 2.470 190 Y HA 0.649 5.199 4.550 -0.000 0.000 0.341 190 Y C -0.929 175.351 175.900 0.634 0.000 1.021 190 Y CA -1.581 56.877 58.100 0.596 0.000 1.025 190 Y CB 1.737 40.454 38.460 0.429 0.000 1.266 190 Y HN 0.170 nan 8.280 nan 0.000 0.448 191 K N 4.280 124.569 120.400 -0.185 0.000 2.471 191 K HA 0.313 4.633 4.320 -0.000 0.000 0.252 191 K C -1.991 174.227 176.600 -0.636 0.000 0.938 191 K CA -0.890 55.189 56.287 -0.347 0.000 0.796 191 K CB 0.860 33.207 32.500 -0.255 0.000 1.161 191 K HN 0.876 nan 8.250 nan 0.000 0.425 192 H N 4.085 122.769 119.070 -0.643 0.000 2.705 192 H HA 0.156 4.712 4.556 -0.000 0.000 0.291 192 H C 0.254 175.391 175.328 -0.318 0.000 1.085 192 H CA -0.160 55.680 56.048 -0.346 0.000 1.357 192 H CB 1.075 30.747 29.762 -0.150 0.000 1.419 192 H HN 0.403 nan 8.280 nan 0.000 0.462 193 V N 5.385 124.837 119.914 -0.770 0.000 2.492 193 V HA 0.232 4.352 4.120 -0.000 0.000 0.241 193 V C -0.156 175.490 176.094 -0.747 0.000 1.041 193 V CA 0.741 62.585 62.300 -0.760 0.000 1.057 193 V CB -0.109 31.262 31.823 -0.753 0.000 0.711 193 V HN 0.507 nan 8.190 nan 0.000 0.468 194 L N 1.502 122.246 121.223 -0.799 0.000 2.372 194 L HA 0.599 4.939 4.340 -0.000 0.000 0.273 194 L C 0.015 176.865 176.870 -0.034 0.000 0.989 194 L CA 0.066 54.736 54.840 -0.284 0.000 0.841 194 L CB 1.349 43.490 42.059 0.136 0.000 1.225 194 L HN 0.223 nan 8.230 nan 0.000 0.414 195 T N 4.796 119.385 114.554 0.057 0.000 2.903 195 T HA 0.260 4.610 4.350 -0.000 0.000 0.314 195 T C 0.493 175.308 174.700 0.191 0.000 1.078 195 T CA -0.243 62.027 62.100 0.283 0.000 1.114 195 T CB 0.246 69.236 68.868 0.203 0.000 0.987 195 T HN 0.449 nan 8.240 nan 0.000 0.548 196 L N 2.521 123.818 121.223 0.123 0.000 2.559 196 L HA 0.253 4.593 4.340 -0.000 0.000 0.274 196 L C 0.947 177.854 176.870 0.062 0.000 1.205 196 L CA 0.361 55.243 54.840 0.070 0.000 0.907 196 L CB -0.025 42.014 42.059 -0.034 0.000 1.153 196 L HN 0.690 nan 8.230 nan 0.000 0.490 197 T N -0.046 114.546 114.554 0.063 0.000 2.821 197 T HA 0.202 4.552 4.350 -0.000 0.000 0.306 197 T C 0.155 174.871 174.700 0.027 0.000 1.313 197 T CA -0.597 61.534 62.100 0.052 0.000 1.012 197 T CB 1.484 70.395 68.868 0.071 0.000 1.298 197 T HN 0.710 nan 8.240 nan 0.000 0.502 198 D N 1.073 121.488 120.400 0.025 0.000 2.349 198 D HA 0.009 4.649 4.640 -0.000 0.000 0.215 198 D C 0.435 176.743 176.300 0.013 0.000 1.016 198 D CA 0.266 54.272 54.000 0.010 0.000 0.870 198 D CB -0.060 40.748 40.800 0.013 0.000 0.917 198 D HN 0.588 nan 8.370 nan 0.000 0.524 199 Q N 1.036 120.856 119.800 0.034 0.000 2.641 199 Q HA 0.160 4.500 4.340 -0.000 0.000 0.225 199 Q C 1.095 177.137 176.000 0.070 0.000 1.309 199 Q CA -0.359 55.472 55.803 0.047 0.000 0.935 199 Q CB 1.150 29.922 28.738 0.057 0.000 1.557 199 Q HN 0.037 nan 8.270 nan 0.000 0.563 200 V N 1.024 120.963 119.914 0.041 0.000 2.287 200 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 200 V C 2.470 178.630 176.094 0.110 0.000 1.053 200 V CA 2.521 64.853 62.300 0.054 0.000 1.027 200 V CB -0.911 30.911 31.823 -0.001 0.000 0.646 200 V HN 0.839 nan 8.190 nan 0.000 0.447 201 T N -1.386 113.205 114.554 0.060 0.000 2.833 201 T HA -0.255 4.095 4.350 -0.000 0.000 0.269 201 T C 1.980 176.706 174.700 0.044 0.000 1.054 201 T CA 1.336 63.461 62.100 0.042 0.000 1.135 201 T CB -0.353 68.526 68.868 0.019 0.000 0.869 201 T HN 0.325 nan 8.240 nan 0.000 0.466 202 R N -0.316 120.224 120.500 0.067 0.000 2.193 202 R HA 0.107 4.447 4.340 -0.000 0.000 0.213 202 R C 2.026 178.373 176.300 0.079 0.000 1.055 202 R CA 0.548 56.683 56.100 0.058 0.000 0.995 202 R CB -0.580 29.759 30.300 0.064 0.000 0.893 202 R HN 0.561 nan 8.270 nan 0.000 0.459 203 F N 1.412 121.348 119.950 -0.025 0.000 2.163 203 F HA -0.071 4.456 4.527 -0.000 0.000 0.297 203 F C 1.485 177.198 175.800 -0.145 0.000 1.094 203 F CA 1.686 59.658 58.000 -0.046 0.000 1.290 203 F CB -0.289 38.686 39.000 -0.041 0.000 1.017 203 F HN 0.050 nan 8.300 nan 0.000 0.483 204 N N 0.079 118.717 118.700 -0.104 0.000 2.188 204 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 204 N C 1.640 176.995 175.510 -0.258 0.000 1.018 204 N CA 1.433 54.345 53.050 -0.230 0.000 0.858 204 N CB -0.167 38.282 38.487 -0.063 0.000 0.989 204 N HN 0.439 nan 8.380 nan 0.000 0.426 205 E N 0.699 120.805 120.200 -0.156 0.000 2.051 205 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 205 E C 1.701 178.205 176.600 -0.160 0.000 0.991 205 E CA 0.884 57.209 56.400 -0.125 0.000 0.799 205 E CB 0.013 29.674 29.700 -0.064 0.000 0.748 205 E HN 0.265 nan 8.360 nan 0.000 0.449 206 E N 0.612 120.707 120.200 -0.175 0.000 2.077 206 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 206 E C 1.988 178.429 176.600 -0.265 0.000 0.989 206 E CA 0.789 57.112 56.400 -0.129 0.000 0.800 206 E CB -0.021 29.680 29.700 0.002 0.000 0.746 206 E HN 0.016 nan 8.360 nan 0.000 0.452 207 V N 0.691 120.205 119.914 -0.667 0.000 2.515 207 V HA -0.201 3.919 4.120 -0.000 0.000 0.250 207 V C 1.889 177.738 176.094 -0.408 0.000 1.058 207 V CA 1.825 63.618 62.300 -0.844 0.000 1.064 207 V CB -0.344 30.777 31.823 -1.171 0.000 0.675 207 V HN 0.227 nan 8.190 nan 0.000 0.461 208 K N -0.150 120.064 120.400 -0.310 0.000 2.486 208 K HA -0.001 4.319 4.320 -0.000 0.000 0.194 208 K C 1.580 178.110 176.600 -0.117 0.000 1.033 208 K CA 0.430 56.598 56.287 -0.198 0.000 1.004 208 K CB -0.010 32.388 32.500 -0.171 0.000 0.798 208 K HN 0.404 nan 8.250 nan 0.000 0.495 209 K N 0.686 121.026 120.400 -0.099 0.000 2.417 209 K HA 0.065 4.385 4.320 -0.000 0.000 0.196 209 K C 0.027 176.615 176.600 -0.020 0.000 1.023 209 K CA 0.112 56.371 56.287 -0.047 0.000 1.122 209 K CB 0.471 32.950 32.500 -0.034 0.000 0.850 209 K HN 0.039 nan 8.250 nan 0.000 0.521 210 Q N 1.213 120.997 119.800 -0.027 0.000 2.267 210 Q HA 0.150 4.490 4.340 -0.000 0.000 0.255 210 Q C -0.015 175.992 176.000 0.012 0.000 0.923 210 Q CA 0.001 55.812 55.803 0.013 0.000 0.925 210 Q CB 1.764 30.521 28.738 0.032 0.000 1.195 210 Q HN 0.148 nan 8.270 nan 0.000 0.417 211 S N -0.480 115.243 115.700 0.040 0.000 2.632 211 S HA 0.711 5.181 4.470 -0.000 0.000 0.289 211 S C 0.110 174.755 174.600 0.075 0.000 1.115 211 S CA -0.901 57.327 58.200 0.045 0.000 0.889 211 S CB 1.220 64.449 63.200 0.048 0.000 1.116 211 S HN 0.429 nan 8.310 nan 0.000 0.486 212 V N -0.571 119.385 119.914 0.071 0.000 3.264 212 V HA 0.810 4.930 4.120 -0.000 0.000 0.304 212 V C 0.392 176.579 176.094 0.156 0.000 1.086 212 V CA -0.078 62.278 62.300 0.094 0.000 1.090 212 V CB 1.031 32.892 31.823 0.062 0.000 1.112 212 V HN 1.105 nan 8.190 nan 0.000 0.472 213 S N 0.676 116.472 115.700 0.158 0.000 2.921 213 S HA 0.697 5.167 4.470 -0.000 0.000 0.315 213 S C -0.494 174.212 174.600 0.176 0.000 1.087 213 S CA -1.047 57.249 58.200 0.160 0.000 0.877 213 S CB 1.692 64.973 63.200 0.134 0.000 1.340 213 S HN 0.976 nan 8.310 nan 0.000 0.622 214 R N 1.060 121.635 120.500 0.125 0.000 2.771 214 R HA 0.465 4.805 4.340 -0.000 0.000 0.274 214 R C -1.492 174.926 176.300 0.196 0.000 0.987 214 R CA -0.553 55.622 56.100 0.126 0.000 0.908 214 R CB 1.857 32.128 30.300 -0.048 0.000 1.213 214 R HN 0.886 nan 8.270 nan 0.000 0.468 215 N N 0.437 119.289 118.700 0.253 0.000 2.591 215 N HA 0.172 4.912 4.740 -0.000 0.000 0.263 215 N C -0.026 175.603 175.510 0.197 0.000 1.308 215 N CA -0.325 52.847 53.050 0.203 0.000 0.837 215 N CB 2.193 40.759 38.487 0.132 0.000 1.548 215 N HN 0.529 nan 8.380 nan 0.000 0.493 216 R N 0.402 120.864 120.500 -0.063 0.000 2.090 216 R HA 0.011 4.351 4.340 -0.000 0.000 0.219 216 R C -0.240 176.079 176.300 0.033 0.000 1.100 216 R CA 1.141 57.144 56.100 -0.162 0.000 0.991 216 R CB -0.113 29.891 30.300 -0.493 0.000 0.893 216 R HN 0.654 nan 8.270 nan 0.000 0.443 217 D N -0.564 119.893 120.400 0.094 0.000 2.168 217 D HA 0.173 4.813 4.640 -0.000 0.000 0.246 217 D C 0.504 176.843 176.300 0.065 0.000 1.050 217 D CA 0.018 54.085 54.000 0.111 0.000 0.857 217 D CB 1.774 42.698 40.800 0.206 0.000 1.169 217 D HN 0.129 nan 8.370 nan 0.000 0.453 218 A N 3.043 125.881 122.820 0.029 0.000 1.884 218 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 218 A C -1.339 176.195 177.584 -0.083 0.000 1.197 218 A CA 0.960 52.993 52.037 -0.007 0.000 0.637 218 A CB -1.849 17.146 19.000 -0.008 0.000 0.827 218 A HN 0.580 nan 8.150 nan 0.000 0.450 219 P HA 0.220 nan 4.420 nan 0.000 0.269 219 P C -0.079 176.963 177.300 -0.430 0.000 1.209 219 P CA 0.295 63.107 63.100 -0.480 0.000 0.776 219 P CB 0.617 31.737 31.700 -0.966 0.000 0.876 220 E N 0.755 120.787 120.200 -0.279 0.000 2.412 220 E HA 0.448 4.798 4.350 -0.000 0.000 0.255 220 E C 0.546 177.172 176.600 0.042 0.000 0.933 220 E CA -0.900 55.499 56.400 -0.001 0.000 0.823 220 E CB 0.692 30.508 29.700 0.192 0.000 1.352 220 E HN 0.407 nan 8.360 nan 0.000 0.406 221 G N -0.134 108.790 108.800 0.207 0.000 4.084 221 G HA2 0.266 4.226 3.960 -0.000 0.000 0.293 221 G HA3 0.266 4.226 3.960 -0.000 0.000 0.293 221 G C 0.852 175.711 174.900 -0.069 0.000 1.303 221 G CA 0.177 45.421 45.100 0.240 0.000 1.289 221 G HN 0.429 nan 8.290 nan 0.000 0.609 222 G N 0.650 109.207 108.800 -0.404 0.000 2.422 222 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 222 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 222 G C 1.328 176.080 174.900 -0.246 0.000 1.140 222 G CA 0.465 45.017 45.100 -0.913 0.000 0.775 222 G HN 0.374 nan 8.290 nan 0.000 0.545 223 F N 1.397 121.218 119.950 -0.215 0.000 2.293 223 F HA 0.070 4.597 4.527 -0.000 0.000 0.300 223 F C 2.185 177.899 175.800 -0.142 0.000 1.086 223 F CA 0.111 57.997 58.000 -0.190 0.000 1.375 223 F CB -0.498 38.431 39.000 -0.120 0.000 1.045 223 F HN 0.102 nan 8.300 nan 0.000 0.516 224 D N -0.009 120.460 120.400 0.115 0.000 2.144 224 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 224 D C 2.346 178.489 176.300 -0.262 0.000 0.978 224 D CA 1.285 55.274 54.000 -0.018 0.000 0.833 224 D CB -0.197 40.686 40.800 0.139 0.000 0.961 224 D HN 0.178 nan 8.370 nan 0.000 0.470 225 A N 0.200 122.880 122.820 -0.233 0.000 1.929 225 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 225 A C 2.343 179.715 177.584 -0.353 0.000 1.176 225 A CA 0.593 52.353 52.037 -0.461 0.000 0.628 225 A CB -0.500 18.422 19.000 -0.129 0.000 0.816 225 A HN 0.199 nan 8.150 nan 0.000 0.444 226 I N -1.277 119.197 120.570 -0.160 0.000 2.252 226 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 226 I C 2.613 178.639 176.117 -0.151 0.000 1.102 226 I CA 1.630 62.870 61.300 -0.100 0.000 1.385 226 I CB -0.224 37.689 38.000 -0.146 0.000 1.064 226 I HN 0.392 nan 8.210 nan 0.000 0.414 227 M N 0.621 120.105 119.600 -0.192 0.000 2.059 227 M HA -0.233 4.247 4.480 -0.000 0.000 0.259 227 M C 2.287 178.459 176.300 -0.214 0.000 1.072 227 M CA 1.926 57.113 55.300 -0.187 0.000 1.117 227 M CB -0.540 31.957 32.600 -0.172 0.000 1.320 227 M HN 0.068 nan 8.290 nan 0.000 0.408 228 Q N -0.096 119.495 119.800 -0.347 0.000 2.084 228 Q HA -0.036 4.304 4.340 -0.000 0.000 0.202 228 Q C 2.201 178.067 176.000 -0.223 0.000 0.978 228 Q CA 1.954 57.560 55.803 -0.327 0.000 0.844 228 Q CB -1.098 27.354 28.738 -0.476 0.000 0.898 228 Q HN 0.700 nan 8.270 nan 0.000 0.426 229 A N 0.148 122.808 122.820 -0.266 0.000 2.067 229 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 229 A C 2.148 179.772 177.584 0.067 0.000 1.158 229 A CA 1.642 53.587 52.037 -0.154 0.000 0.661 229 A CB -0.349 18.640 19.000 -0.018 0.000 0.801 229 A HN 0.348 nan 8.150 nan 0.000 0.452 230 T N -0.678 113.895 114.554 0.031 0.000 2.901 230 T HA -0.012 4.338 4.350 -0.000 0.000 0.252 230 T C 1.753 176.457 174.700 0.006 0.000 1.035 230 T CA 1.555 63.678 62.100 0.038 0.000 1.142 230 T CB -0.266 68.561 68.868 -0.069 0.000 0.869 230 T HN 0.574 nan 8.240 nan 0.000 0.442 231 V N -1.176 118.714 119.914 -0.041 0.000 3.649 231 V HA 0.282 4.402 4.120 -0.000 0.000 0.275 231 V C 0.734 176.804 176.094 -0.040 0.000 1.281 231 V CA -0.390 61.880 62.300 -0.051 0.000 1.143 231 V CB -1.253 30.524 31.823 -0.075 0.000 0.892 231 V HN 0.344 nan 8.190 nan 0.000 0.441 232 c N 2.346 120.927 118.600 -0.032 0.000 2.328 232 c HA 0.394 4.964 4.570 -0.000 0.000 0.446 232 c C 1.504 175.566 174.090 -0.047 0.000 1.090 232 c CA -0.676 55.619 56.329 -0.056 0.000 1.510 232 c CB -1.423 41.036 42.510 -0.084 0.000 1.543 232 c HN 0.553 nan 8.230 nan 0.000 0.533 233 D N 1.375 121.778 120.400 0.005 0.000 2.242 233 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 233 D C 2.016 178.302 176.300 -0.024 0.000 1.005 233 D CA 1.642 55.666 54.000 0.041 0.000 0.856 233 D CB 0.048 40.861 40.800 0.022 0.000 1.001 233 D HN 0.522 nan 8.370 nan 0.000 0.452 234 E N 0.243 120.421 120.200 -0.037 0.000 2.085 234 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 234 E C 2.029 178.571 176.600 -0.097 0.000 0.994 234 E CA 0.879 57.250 56.400 -0.049 0.000 0.801 234 E CB 0.012 29.695 29.700 -0.028 0.000 0.743 234 E HN 0.215 nan 8.360 nan 0.000 0.453 235 K N 0.589 120.905 120.400 -0.141 0.000 1.985 235 K HA -0.110 4.210 4.320 -0.000 0.000 0.210 235 K C 2.206 178.555 176.600 -0.418 0.000 1.047 235 K CA 0.731 56.879 56.287 -0.233 0.000 0.932 235 K CB -0.580 31.769 32.500 -0.252 0.000 0.716 235 K HN 0.167 nan 8.250 nan 0.000 0.439 236 I N -0.148 120.095 120.570 -0.545 0.000 2.226 236 I HA -0.130 4.040 4.170 -0.000 0.000 0.245 236 I C 1.438 177.237 176.117 -0.530 0.000 1.100 236 I CA 1.677 62.518 61.300 -0.764 0.000 1.374 236 I CB -1.377 35.933 38.000 -1.151 0.000 1.057 236 I HN 0.490 nan 8.210 nan 0.000 0.413 237 G N -0.076 108.501 108.800 -0.372 0.000 2.130 237 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 237 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 237 G C -0.247 174.577 174.900 -0.125 0.000 0.999 237 G CA -0.357 44.631 45.100 -0.185 0.000 0.686 237 G HN 0.317 nan 8.290 nan 0.000 0.515 238 W N 1.271 122.476 121.300 -0.158 0.000 2.223 238 W HA 0.430 5.090 4.660 -0.000 0.000 0.334 238 W C 1.453 177.904 176.519 -0.114 0.000 1.334 238 W CA -0.500 56.693 57.345 -0.253 0.000 1.246 238 W CB 0.497 29.619 29.460 -0.563 0.000 1.184 238 W HN 0.323 nan 8.180 nan 0.000 0.563 239 R N 4.075 124.750 120.500 0.292 0.000 2.233 239 R HA 0.150 4.490 4.340 -0.000 0.000 0.334 239 R C 0.792 177.301 176.300 0.347 0.000 1.037 239 R CA -0.419 55.830 56.100 0.249 0.000 0.920 239 R CB -0.129 30.286 30.300 0.191 0.000 1.137 239 R HN 0.709 nan 8.270 nan 0.000 0.492 240 N N 3.139 121.986 118.700 0.245 0.000 2.182 240 N HA -0.342 4.398 4.740 -0.000 0.000 0.200 240 N C 0.511 176.098 175.510 0.128 0.000 0.989 240 N CA 2.213 55.389 53.050 0.209 0.000 0.907 240 N CB -0.352 38.199 38.487 0.107 0.000 1.048 240 N HN 0.713 nan 8.380 nan 0.000 0.494 241 D N 0.982 121.441 120.400 0.098 0.000 2.348 241 D HA 0.069 4.709 4.640 -0.000 0.000 0.216 241 D C 0.800 177.095 176.300 -0.008 0.000 0.970 241 D CA 0.365 54.388 54.000 0.038 0.000 0.889 241 D CB 0.084 40.913 40.800 0.050 0.000 0.912 241 D HN 0.408 nan 8.370 nan 0.000 0.524 242 A N 0.454 123.277 122.820 0.005 0.000 2.269 242 A HA 0.455 4.775 4.320 -0.000 0.000 0.327 242 A C -0.080 177.252 177.584 -0.420 0.000 1.112 242 A CA -0.547 51.447 52.037 -0.071 0.000 0.865 242 A CB 1.460 20.521 19.000 0.102 0.000 1.227 242 A HN 0.079 nan 8.150 nan 0.000 0.498 243 S N -0.524 115.016 115.700 -0.266 0.000 2.528 243 S HA 0.322 4.792 4.470 -0.000 0.000 0.277 243 S C -0.537 173.941 174.600 -0.203 0.000 1.297 243 S CA -0.228 57.782 58.200 -0.316 0.000 1.052 243 S CB -0.369 62.749 63.200 -0.138 0.000 0.917 243 S HN 0.609 nan 8.310 nan 0.000 0.492 244 H N 4.314 123.336 119.070 -0.080 0.000 2.623 244 H HA 0.419 4.975 4.556 -0.000 0.000 0.299 244 H C -0.564 174.715 175.328 -0.082 0.000 1.052 244 H CA -0.703 55.265 56.048 -0.134 0.000 1.231 244 H CB 0.713 30.097 29.762 -0.630 0.000 1.389 244 H HN 0.377 nan 8.280 nan 0.000 0.469 245 L N 4.425 125.803 121.223 0.258 0.000 2.282 245 L HA 0.316 4.656 4.340 -0.000 0.000 0.288 245 L C -0.439 176.664 176.870 0.388 0.000 1.033 245 L CA -0.551 54.427 54.840 0.230 0.000 0.807 245 L CB 1.650 43.831 42.059 0.203 0.000 1.209 245 L HN 0.524 nan 8.230 nan 0.000 0.423 246 L N 5.193 126.604 121.223 0.312 0.000 2.337 246 L HA 0.424 4.764 4.340 -0.000 0.000 0.269 246 L C -0.757 176.330 176.870 0.360 0.000 1.018 246 L CA -0.553 54.545 54.840 0.431 0.000 0.876 246 L CB 1.475 43.750 42.059 0.361 0.000 1.236 246 L HN 0.313 nan 8.230 nan 0.000 0.436 247 V N 4.664 124.829 119.914 0.419 0.000 2.461 247 V HA 0.231 4.351 4.120 -0.000 0.000 0.275 247 V C -0.227 176.178 176.094 0.518 0.000 1.047 247 V CA -0.209 62.350 62.300 0.431 0.000 0.955 247 V CB 1.218 33.300 31.823 0.433 0.000 0.988 247 V HN 0.497 nan 8.190 nan 0.000 0.471 248 F N 4.766 124.909 119.950 0.321 0.000 2.495 248 F HA 0.759 5.286 4.527 -0.000 0.000 0.327 248 F C 0.236 176.190 175.800 0.257 0.000 1.103 248 F CA -0.210 57.983 58.000 0.322 0.000 0.949 248 F CB 2.008 41.268 39.000 0.432 0.000 1.142 248 F HN 0.597 nan 8.300 nan 0.000 0.457 249 T N 1.729 115.978 114.554 -0.507 0.000 2.907 249 T HA 0.775 5.125 4.350 -0.000 0.000 0.292 249 T C -0.581 173.725 174.700 -0.657 0.000 1.043 249 T CA -0.736 61.090 62.100 -0.455 0.000 1.003 249 T CB 1.730 70.428 68.868 -0.282 0.000 1.084 249 T HN 0.910 nan 8.240 nan 0.000 0.483 250 T N 0.115 114.416 114.554 -0.421 0.000 2.843 250 T HA 0.337 4.687 4.350 -0.000 0.000 0.337 250 T C -1.439 173.146 174.700 -0.192 0.000 1.754 250 T CA -0.261 61.663 62.100 -0.294 0.000 1.052 250 T CB 1.430 70.145 68.868 -0.254 0.000 1.588 250 T HN 0.870 nan 8.240 nan 0.000 0.493 251 D N 0.830 121.164 120.400 -0.109 0.000 2.503 251 D HA 0.505 5.145 4.640 -0.000 0.000 0.218 251 D C 0.383 176.674 176.300 -0.015 0.000 1.183 251 D CA -0.077 53.887 54.000 -0.060 0.000 0.827 251 D CB 0.695 41.463 40.800 -0.052 0.000 1.034 251 D HN 0.694 nan 8.370 nan 0.000 0.510 252 A N 0.196 123.020 122.820 0.006 0.000 2.552 252 A HA 0.530 4.850 4.320 -0.000 0.000 0.288 252 A C -0.152 177.498 177.584 0.109 0.000 1.193 252 A CA -0.825 51.236 52.037 0.040 0.000 0.713 252 A CB 1.618 20.623 19.000 0.009 0.000 1.305 252 A HN -0.062 nan 8.150 nan 0.000 0.424 253 K N -0.591 119.831 120.400 0.037 0.000 2.181 253 K HA 0.425 4.745 4.320 -0.000 0.000 0.239 253 K C -0.122 176.435 176.600 -0.072 0.000 1.073 253 K CA 0.474 56.754 56.287 -0.012 0.000 0.839 253 K CB 0.173 32.615 32.500 -0.098 0.000 1.116 253 K HN 0.682 nan 8.250 nan 0.000 0.518 254 T N -0.316 114.114 114.554 -0.207 0.000 2.894 254 T HA 0.172 4.522 4.350 -0.000 0.000 0.309 254 T C -1.422 172.967 174.700 -0.519 0.000 1.208 254 T CA -0.823 61.030 62.100 -0.411 0.000 1.016 254 T CB 0.800 69.276 68.868 -0.654 0.000 1.192 254 T HN 0.394 nan 8.240 nan 0.000 0.491 255 H N 3.454 122.201 119.070 -0.538 0.000 2.646 255 H HA 0.482 5.038 4.556 -0.000 0.000 0.325 255 H C 0.457 175.449 175.328 -0.560 0.000 1.075 255 H CA -0.095 55.522 56.048 -0.719 0.000 1.421 255 H CB 0.562 29.434 29.762 -1.484 0.000 1.461 255 H HN 0.616 nan 8.280 nan 0.000 0.525 256 I N -0.420 120.039 120.570 -0.185 0.000 2.982 256 I HA 0.672 4.842 4.170 -0.000 0.000 0.312 256 I C 0.431 176.582 176.117 0.058 0.000 1.041 256 I CA -1.526 59.779 61.300 0.008 0.000 1.053 256 I CB 1.293 39.291 38.000 -0.004 0.000 1.248 256 I HN 0.425 nan 8.210 nan 0.000 0.471 257 A N 2.898 125.795 122.820 0.128 0.000 2.555 257 A HA 0.359 4.679 4.320 -0.000 0.000 0.233 257 A C 0.782 178.439 177.584 0.122 0.000 1.060 257 A CA 0.271 52.403 52.037 0.159 0.000 0.759 257 A CB -0.277 18.785 19.000 0.104 0.000 0.995 257 A HN 1.086 nan 8.150 nan 0.000 0.506 258 L N -0.470 120.840 121.223 0.145 0.000 4.383 258 L HA -0.246 4.094 4.340 -0.000 0.000 0.402 258 L C 0.822 177.766 176.870 0.123 0.000 0.803 258 L CA 0.956 55.862 54.840 0.110 0.000 2.175 258 L CB -1.357 40.745 42.059 0.071 0.000 1.434 258 L HN 0.760 nan 8.230 nan 0.000 0.591 259 D N 0.353 120.847 120.400 0.156 0.000 2.194 259 D HA 0.001 4.641 4.640 -0.000 0.000 0.204 259 D C 1.965 178.400 176.300 0.224 0.000 0.964 259 D CA 1.403 55.482 54.000 0.132 0.000 0.846 259 D CB -0.146 40.642 40.800 -0.020 0.000 0.962 259 D HN 0.509 nan 8.370 nan 0.000 0.490 260 G N 0.607 109.617 108.800 0.350 0.000 2.516 260 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.221 260 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.221 260 G C 1.603 176.581 174.900 0.131 0.000 1.107 260 G CA 0.335 45.597 45.100 0.270 0.000 0.747 260 G HN 0.235 nan 8.290 nan 0.000 0.567 261 R N -0.742 119.818 120.500 0.100 0.000 2.237 261 R HA 0.060 4.400 4.340 -0.000 0.000 0.219 261 R C 1.867 178.179 176.300 0.020 0.000 1.080 261 R CA 0.395 56.523 56.100 0.047 0.000 0.995 261 R CB -0.152 30.174 30.300 0.043 0.000 0.875 261 R HN 0.338 nan 8.270 nan 0.000 0.462 262 L N -0.481 120.760 121.223 0.031 0.000 2.376 262 L HA 0.024 4.364 4.340 -0.000 0.000 0.219 262 L C 1.760 178.543 176.870 -0.145 0.000 1.133 262 L CA 1.212 56.028 54.840 -0.040 0.000 0.816 262 L CB 0.032 42.079 42.059 -0.020 0.000 0.933 262 L HN 0.128 nan 8.230 nan 0.000 0.449 263 A N -1.415 121.334 122.820 -0.118 0.000 2.387 263 A HA 0.523 4.843 4.320 -0.000 0.000 0.234 263 A C 1.687 179.221 177.584 -0.084 0.000 1.253 263 A CA 0.451 52.386 52.037 -0.169 0.000 0.894 263 A CB -0.382 18.547 19.000 -0.117 0.000 0.963 263 A HN 0.398 nan 8.150 nan 0.000 0.508 264 G N -0.345 108.424 108.800 -0.053 0.000 2.162 264 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 264 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 264 G C 0.104 174.988 174.900 -0.026 0.000 0.976 264 G CA 0.430 45.507 45.100 -0.037 0.000 0.655 264 G HN 0.519 nan 8.290 nan 0.000 0.533 265 I N 1.152 121.712 120.570 -0.017 0.000 2.325 265 I HA 0.386 4.556 4.170 -0.000 0.000 0.291 265 I C 1.567 177.685 176.117 0.001 0.000 1.019 265 I CA -0.188 61.101 61.300 -0.019 0.000 1.302 265 I CB 1.461 39.441 38.000 -0.033 0.000 1.401 265 I HN 0.108 nan 8.210 nan 0.000 0.485 266 V N 1.513 121.424 119.914 -0.004 0.000 3.480 266 V HA 0.134 4.254 4.120 -0.000 0.000 0.263 266 V C 0.783 176.883 176.094 0.008 0.000 1.442 266 V CA -0.203 62.102 62.300 0.009 0.000 1.053 266 V CB -0.265 31.562 31.823 0.006 0.000 0.846 266 V HN 0.810 nan 8.190 nan 0.000 0.440 267 Q N 3.880 123.678 119.800 -0.003 0.000 2.239 267 Q HA 0.174 4.514 4.340 -0.000 0.000 0.286 267 Q C -2.117 173.890 176.000 0.012 0.000 1.102 267 Q CA -1.425 54.378 55.803 -0.001 0.000 0.936 267 Q CB 0.739 29.468 28.738 -0.015 0.000 1.127 267 Q HN 0.432 nan 8.270 nan 0.000 0.380 268 P HA -0.102 nan 4.420 nan 0.000 0.269 268 P C -0.497 176.828 177.300 0.042 0.000 1.209 268 P CA -0.091 63.029 63.100 0.034 0.000 0.776 268 P CB 0.467 32.185 31.700 0.029 0.000 0.876 269 N N 2.565 121.299 118.700 0.056 0.000 2.411 269 N HA -0.096 4.644 4.740 -0.000 0.000 0.265 269 N C 0.939 176.493 175.510 0.074 0.000 1.266 269 N CA 0.300 53.396 53.050 0.077 0.000 0.889 269 N CB 0.124 38.660 38.487 0.080 0.000 1.069 269 N HN 0.403 nan 8.380 nan 0.000 0.476 270 D N 2.655 123.121 120.400 0.109 0.000 2.363 270 D HA 0.005 4.645 4.640 -0.000 0.000 0.226 270 D C 1.081 177.426 176.300 0.074 0.000 1.020 270 D CA 0.729 54.789 54.000 0.101 0.000 0.892 270 D CB -0.487 40.402 40.800 0.149 0.000 0.900 270 D HN 0.673 nan 8.370 nan 0.000 0.531 271 G N 0.125 108.966 108.800 0.069 0.000 2.187 271 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.261 271 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.261 271 G C 0.030 174.923 174.900 -0.012 0.000 1.000 271 G CA 0.645 45.754 45.100 0.016 0.000 0.718 271 G HN 0.529 nan 8.290 nan 0.000 0.519 272 Q N -1.488 118.309 119.800 -0.005 0.000 2.297 272 Q HA 0.590 4.930 4.340 -0.000 0.000 0.269 272 Q C 0.427 176.269 176.000 -0.263 0.000 1.051 272 Q CA -0.703 55.019 55.803 -0.134 0.000 0.869 272 Q CB 2.042 30.680 28.738 -0.168 0.000 1.346 272 Q HN 0.403 nan 8.270 nan 0.000 0.457 273 c N 1.714 120.146 118.600 -0.280 0.000 2.632 273 c HA 0.154 4.724 4.570 -0.000 0.000 0.415 273 c C 0.086 173.967 174.090 -0.348 0.000 1.332 273 c CA 0.085 56.288 56.329 -0.210 0.000 1.874 273 c CB -0.729 41.716 42.510 -0.109 0.000 2.596 273 c HN 0.783 nan 8.230 nan 0.000 0.590 274 H N 3.451 122.640 119.070 0.198 0.000 2.777 274 H HA 0.212 4.768 4.556 -0.000 0.000 0.244 274 H C -0.457 175.038 175.328 0.278 0.000 1.185 274 H CA -0.015 56.181 56.048 0.247 0.000 0.945 274 H CB 0.352 30.313 29.762 0.333 0.000 1.994 274 H HN 0.447 nan 8.280 nan 0.000 0.638 275 V N 1.752 121.842 119.914 0.293 0.000 2.320 275 V HA 0.337 4.457 4.120 -0.000 0.000 0.265 275 V C 1.245 177.423 176.094 0.140 0.000 1.048 275 V CA -0.332 62.116 62.300 0.248 0.000 0.865 275 V CB 0.911 32.865 31.823 0.218 0.000 1.043 275 V HN 0.439 nan 8.190 nan 0.000 0.474 276 G N 3.337 112.217 108.800 0.133 0.000 2.514 276 G HA2 0.175 4.135 3.960 -0.000 0.000 0.245 276 G HA3 0.175 4.135 3.960 -0.000 0.000 0.245 276 G C 1.226 176.154 174.900 0.046 0.000 1.488 276 G CA 0.381 45.531 45.100 0.083 0.000 1.063 276 G HN 0.552 nan 8.290 nan 0.000 0.557 277 S N 0.909 116.628 115.700 0.032 0.000 2.356 277 S HA -0.135 4.335 4.470 -0.000 0.000 0.223 277 S C 2.017 176.607 174.600 -0.016 0.000 1.032 277 S CA 1.669 59.875 58.200 0.010 0.000 1.005 277 S CB -0.356 62.850 63.200 0.010 0.000 0.867 277 S HN 0.783 nan 8.310 nan 0.000 0.449 278 D N 1.491 121.882 120.400 -0.014 0.000 2.403 278 D HA -0.134 4.506 4.640 -0.000 0.000 0.227 278 D C 0.082 176.234 176.300 -0.246 0.000 0.995 278 D CA 0.389 54.346 54.000 -0.072 0.000 0.928 278 D CB -0.837 39.982 40.800 0.032 0.000 0.887 278 D HN 0.292 nan 8.370 nan 0.000 0.529 279 N N -0.157 118.454 118.700 -0.148 0.000 2.776 279 N HA -0.198 4.542 4.740 -0.000 0.000 0.249 279 N C -1.024 174.321 175.510 -0.274 0.000 1.111 279 N CA 0.705 53.647 53.050 -0.180 0.000 0.711 279 N CB -1.955 36.388 38.487 -0.241 0.000 1.065 279 N HN 0.618 nan 8.380 nan 0.000 0.556 280 H N -0.955 118.143 119.070 0.046 0.000 2.622 280 H HA 0.260 4.816 4.556 -0.000 0.000 0.363 280 H C -0.454 175.018 175.328 0.240 0.000 1.151 280 H CA -0.749 55.355 56.048 0.094 0.000 1.184 280 H CB 1.078 30.883 29.762 0.071 0.000 1.643 280 H HN 0.066 nan 8.280 nan 0.000 0.531 281 Y N 2.863 123.372 120.300 0.348 0.000 2.624 281 Y HA -0.002 4.548 4.550 -0.000 0.000 0.354 281 Y C 1.202 177.230 175.900 0.214 0.000 1.051 281 Y CA -0.756 57.540 58.100 0.327 0.000 1.377 281 Y CB 0.142 38.851 38.460 0.415 0.000 1.168 281 Y HN 0.713 nan 8.280 nan 0.000 0.525 282 S N 3.616 119.350 115.700 0.058 0.000 2.423 282 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 282 S C 1.897 176.285 174.600 -0.353 0.000 1.014 282 S CA 0.652 58.793 58.200 -0.099 0.000 0.965 282 S CB -0.368 62.836 63.200 0.006 0.000 0.785 282 S HN 0.698 nan 8.310 nan 0.000 0.495 283 A N 1.164 123.558 122.820 -0.710 0.000 2.208 283 A HA 0.236 4.556 4.320 -0.000 0.000 0.209 283 A C 2.176 179.307 177.584 -0.756 0.000 1.161 283 A CA 0.962 52.557 52.037 -0.736 0.000 0.782 283 A CB -1.053 17.522 19.000 -0.709 0.000 0.816 283 A HN 0.533 nan 8.150 nan 0.000 0.477 284 S N 0.435 115.541 115.700 -0.989 0.000 2.399 284 S HA -0.241 4.229 4.470 -0.000 0.000 0.235 284 S C 2.014 176.475 174.600 -0.232 0.000 1.063 284 S CA 2.716 60.645 58.200 -0.451 0.000 1.070 284 S CB -0.455 62.656 63.200 -0.149 0.000 0.904 284 S HN 0.838 nan 8.310 nan 0.000 0.456 285 T N -2.333 112.101 114.554 -0.201 0.000 3.081 285 T HA 0.140 4.490 4.350 -0.000 0.000 0.250 285 T C 1.480 176.104 174.700 -0.126 0.000 1.100 285 T CA 1.047 63.074 62.100 -0.122 0.000 1.038 285 T CB 0.055 68.873 68.868 -0.083 0.000 0.962 285 T HN 0.571 nan 8.240 nan 0.000 0.516 286 T N -1.860 112.593 114.554 -0.169 0.000 2.955 286 T HA 0.451 4.801 4.350 -0.000 0.000 0.251 286 T C 0.319 174.943 174.700 -0.127 0.000 1.002 286 T CA -0.530 61.488 62.100 -0.137 0.000 0.970 286 T CB -0.023 68.760 68.868 -0.142 0.000 1.091 286 T HN 0.331 nan 8.240 nan 0.000 0.495 287 M N 2.202 121.710 119.600 -0.154 0.000 2.508 287 M HA 0.478 4.958 4.480 -0.000 0.000 0.327 287 M C -1.079 175.164 176.300 -0.096 0.000 1.160 287 M CA -0.777 54.467 55.300 -0.093 0.000 0.980 287 M CB 1.825 34.388 32.600 -0.062 0.000 1.693 287 M HN -0.045 nan 8.290 nan 0.000 0.452 288 D N 1.704 122.075 120.400 -0.048 0.000 2.371 288 D HA 0.124 4.764 4.640 -0.000 0.000 0.242 288 D C -1.126 175.154 176.300 -0.033 0.000 1.218 288 D CA 0.329 54.299 54.000 -0.051 0.000 0.945 288 D CB 0.542 41.373 40.800 0.051 0.000 1.137 288 D HN 0.401 nan 8.370 nan 0.000 0.464 289 Y N 0.518 120.864 120.300 0.078 0.000 2.457 289 Y HA 0.192 4.742 4.550 -0.000 0.000 0.341 289 Y C -1.292 174.653 175.900 0.075 0.000 1.240 289 Y CA -1.184 56.972 58.100 0.094 0.000 1.437 289 Y CB -0.086 38.429 38.460 0.092 0.000 1.328 289 Y HN 0.207 nan 8.280 nan 0.000 0.588 290 P HA 0.100 nan 4.420 nan 0.000 0.277 290 P C -0.823 176.514 177.300 0.060 0.000 1.240 290 P CA -0.509 62.645 63.100 0.091 0.000 0.798 290 P CB 1.371 33.083 31.700 0.020 0.000 0.979 291 S N 1.864 117.569 115.700 0.008 0.000 2.652 291 S HA 0.224 4.694 4.470 -0.000 0.000 0.270 291 S C 1.672 176.204 174.600 -0.114 0.000 1.243 291 S CA -0.765 57.418 58.200 -0.027 0.000 0.999 291 S CB 0.130 63.321 63.200 -0.015 0.000 0.973 291 S HN 0.353 nan 8.310 nan 0.000 0.544 292 L N 1.257 122.391 121.223 -0.149 0.000 2.043 292 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 292 L C 2.887 179.662 176.870 -0.158 0.000 1.075 292 L CA 1.717 56.428 54.840 -0.214 0.000 0.752 292 L CB -1.470 40.479 42.059 -0.184 0.000 0.891 292 L HN 0.999 nan 8.230 nan 0.000 0.432 293 G N -0.036 108.704 108.800 -0.100 0.000 2.459 293 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 293 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 293 G C 1.630 176.480 174.900 -0.083 0.000 1.183 293 G CA 0.632 45.685 45.100 -0.078 0.000 0.776 293 G HN 0.247 nan 8.290 nan 0.000 0.552 294 L N -0.246 120.930 121.223 -0.078 0.000 2.079 294 L HA -0.060 4.280 4.340 -0.000 0.000 0.210 294 L C 3.031 179.839 176.870 -0.103 0.000 1.081 294 L CA 1.273 56.070 54.840 -0.072 0.000 0.752 294 L CB -0.210 41.819 42.059 -0.050 0.000 0.896 294 L HN 0.319 nan 8.230 nan 0.000 0.433 295 M N -1.109 118.403 119.600 -0.147 0.000 2.059 295 M HA -0.225 4.255 4.480 -0.000 0.000 0.259 295 M C 2.158 178.359 176.300 -0.165 0.000 1.072 295 M CA 2.462 57.648 55.300 -0.191 0.000 1.117 295 M CB -0.601 31.814 32.600 -0.308 0.000 1.320 295 M HN 0.251 nan 8.290 nan 0.000 0.408 296 T N -0.164 114.298 114.554 -0.153 0.000 2.665 296 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 296 T C 1.607 176.244 174.700 -0.105 0.000 1.035 296 T CA 1.821 63.846 62.100 -0.125 0.000 1.151 296 T CB -0.516 68.291 68.868 -0.102 0.000 0.862 296 T HN 0.485 nan 8.240 nan 0.000 0.438 297 E N 0.900 121.046 120.200 -0.091 0.000 2.049 297 E HA -0.242 4.108 4.350 -0.000 0.000 0.198 297 E C 2.165 178.714 176.600 -0.085 0.000 1.007 297 E CA 1.167 57.521 56.400 -0.077 0.000 0.809 297 E CB 0.019 29.681 29.700 -0.064 0.000 0.749 297 E HN 0.220 nan 8.360 nan 0.000 0.450 298 K N 0.437 120.781 120.400 -0.093 0.000 2.097 298 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 298 K C 2.353 178.882 176.600 -0.120 0.000 1.050 298 K CA 0.686 56.913 56.287 -0.100 0.000 0.938 298 K CB -0.481 31.959 32.500 -0.100 0.000 0.718 298 K HN 0.292 nan 8.250 nan 0.000 0.442 299 L N 0.610 121.754 121.223 -0.132 0.000 2.083 299 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 299 L C 2.668 179.454 176.870 -0.140 0.000 1.083 299 L CA 1.140 55.891 54.840 -0.148 0.000 0.752 299 L CB -0.438 41.530 42.059 -0.152 0.000 0.899 299 L HN 0.155 nan 8.230 nan 0.000 0.433 300 S N -0.751 114.879 115.700 -0.116 0.000 2.357 300 S HA -0.237 4.233 4.470 -0.000 0.000 0.221 300 S C 1.978 176.520 174.600 -0.097 0.000 1.031 300 S CA 1.234 59.373 58.200 -0.102 0.000 0.982 300 S CB -0.103 63.046 63.200 -0.085 0.000 0.853 300 S HN 0.429 nan 8.310 nan 0.000 0.458 301 Q N -0.086 119.659 119.800 -0.092 0.000 2.197 301 Q HA -0.118 4.222 4.340 -0.000 0.000 0.207 301 Q C 1.034 176.979 176.000 -0.092 0.000 0.984 301 Q CA 1.217 56.971 55.803 -0.081 0.000 0.869 301 Q CB 0.049 28.743 28.738 -0.074 0.000 0.906 301 Q HN 0.282 nan 8.270 nan 0.000 0.426 302 K N 0.212 120.538 120.400 -0.124 0.000 2.358 302 K HA 0.102 4.422 4.320 -0.000 0.000 0.200 302 K C -0.429 176.073 176.600 -0.163 0.000 1.030 302 K CA 0.097 56.288 56.287 -0.161 0.000 1.097 302 K CB 0.260 32.622 32.500 -0.230 0.000 0.862 302 K HN 0.290 nan 8.250 nan 0.000 0.534 303 N N 1.320 119.937 118.700 -0.139 0.000 2.671 303 N HA -0.189 4.551 4.740 -0.000 0.000 0.261 303 N C -1.209 174.202 175.510 -0.165 0.000 1.053 303 N CA 0.366 53.335 53.050 -0.135 0.000 0.732 303 N CB -1.112 37.303 38.487 -0.119 0.000 0.887 303 N HN 0.251 nan 8.380 nan 0.000 0.546 304 I N 0.363 120.803 120.570 -0.216 0.000 2.436 304 I HA 0.238 4.408 4.170 -0.000 0.000 0.289 304 I C -0.233 175.782 176.117 -0.169 0.000 1.010 304 I CA -0.747 60.391 61.300 -0.269 0.000 1.098 304 I CB 1.428 39.196 38.000 -0.387 0.000 1.266 304 I HN 0.180 nan 8.210 nan 0.000 0.434 305 N N 6.611 125.239 118.700 -0.120 0.000 2.420 305 N HA 0.241 4.981 4.740 -0.000 0.000 0.249 305 N C -0.763 174.710 175.510 -0.062 0.000 1.033 305 N CA -0.544 52.455 53.050 -0.085 0.000 0.944 305 N CB 1.962 40.416 38.487 -0.056 0.000 1.113 305 N HN 0.337 nan 8.380 nan 0.000 0.502 306 L N 4.464 125.613 121.223 -0.123 0.000 2.319 306 L HA 0.432 4.772 4.340 -0.000 0.000 0.280 306 L C -0.478 176.254 176.870 -0.230 0.000 1.099 306 L CA 0.049 54.785 54.840 -0.174 0.000 0.828 306 L CB 0.261 42.135 42.059 -0.310 0.000 1.150 306 L HN 0.384 nan 8.230 nan 0.000 0.442 307 I N 5.271 125.780 120.570 -0.103 0.000 2.465 307 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 307 I C -1.073 175.114 176.117 0.117 0.000 1.014 307 I CA -0.561 60.720 61.300 -0.030 0.000 1.093 307 I CB 1.481 39.538 38.000 0.095 0.000 1.267 307 I HN 0.358 nan 8.210 nan 0.000 0.431 308 F N 4.558 124.648 119.950 0.233 0.000 2.361 308 F HA 0.482 5.009 4.527 -0.000 0.000 0.364 308 F C 0.630 176.533 175.800 0.172 0.000 1.120 308 F CA -1.142 57.018 58.000 0.267 0.000 1.102 308 F CB 1.363 40.526 39.000 0.271 0.000 1.183 308 F HN 0.415 nan 8.300 nan 0.000 0.476 309 A N 4.713 127.742 122.820 0.348 0.000 2.444 309 A HA 0.675 4.995 4.320 -0.000 0.000 0.332 309 A C -0.566 177.056 177.584 0.062 0.000 1.430 309 A CA -0.495 51.657 52.037 0.190 0.000 0.975 309 A CB -0.034 19.086 19.000 0.199 0.000 1.147 309 A HN 0.652 nan 8.150 nan 0.000 0.524 310 V N 0.675 120.601 119.914 0.020 0.000 3.001 310 V HA 0.875 4.995 4.120 -0.000 0.000 0.314 310 V C 0.200 176.277 176.094 -0.027 0.000 1.099 310 V CA -0.220 62.020 62.300 -0.099 0.000 0.989 310 V CB 1.276 32.914 31.823 -0.307 0.000 1.040 310 V HN 0.934 nan 8.190 nan 0.000 0.434 311 T N -0.017 114.514 114.554 -0.038 0.000 2.900 311 T HA 0.223 4.573 4.350 -0.000 0.000 0.307 311 T C 0.967 175.679 174.700 0.020 0.000 1.065 311 T CA 0.643 62.742 62.100 -0.001 0.000 1.105 311 T CB 0.940 69.803 68.868 -0.008 0.000 0.979 311 T HN 1.254 nan 8.240 nan 0.000 0.544 312 E N 1.966 122.183 120.200 0.027 0.000 2.219 312 E HA -0.301 4.049 4.350 -0.000 0.000 0.198 312 E C 1.616 178.235 176.600 0.032 0.000 0.998 312 E CA 1.826 58.246 56.400 0.033 0.000 0.818 312 E CB -0.573 29.145 29.700 0.029 0.000 0.741 312 E HN 0.792 nan 8.360 nan 0.000 0.477 313 N N 0.709 119.424 118.700 0.025 0.000 2.512 313 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 313 N C 1.171 176.700 175.510 0.032 0.000 1.073 313 N CA 1.149 54.212 53.050 0.022 0.000 0.911 313 N CB 0.346 38.842 38.487 0.014 0.000 0.964 313 N HN 0.247 nan 8.380 nan 0.000 0.447 314 V N 0.253 120.202 119.914 0.057 0.000 3.252 314 V HA 0.149 4.269 4.120 -0.000 0.000 0.320 314 V C 1.560 177.759 176.094 0.175 0.000 1.459 314 V CA -0.085 62.280 62.300 0.109 0.000 1.095 314 V CB 0.355 32.278 31.823 0.167 0.000 0.997 314 V HN -0.048 nan 8.190 nan 0.000 0.469 315 V N 1.187 121.167 119.914 0.110 0.000 2.261 315 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 315 V C 2.388 178.545 176.094 0.106 0.000 1.047 315 V CA 2.629 65.004 62.300 0.124 0.000 1.015 315 V CB -0.544 31.331 31.823 0.086 0.000 0.642 315 V HN 0.650 nan 8.190 nan 0.000 0.446 316 N N 0.134 118.861 118.700 0.044 0.000 2.061 316 N HA -0.200 4.540 4.740 -0.000 0.000 0.193 316 N C 1.811 177.278 175.510 -0.071 0.000 1.030 316 N CA 1.733 54.783 53.050 -0.001 0.000 0.856 316 N CB -0.629 37.846 38.487 -0.019 0.000 1.023 316 N HN 0.461 nan 8.380 nan 0.000 0.424 317 L N -0.098 121.043 121.223 -0.137 0.000 2.043 317 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 317 L C 1.772 178.289 176.870 -0.589 0.000 1.075 317 L CA 1.545 56.142 54.840 -0.405 0.000 0.752 317 L CB -0.273 41.537 42.059 -0.416 0.000 0.891 317 L HN 0.123 nan 8.230 nan 0.000 0.432 318 Y N -0.496 119.679 120.300 -0.208 0.000 2.516 318 Y HA -0.110 4.440 4.550 -0.000 0.000 0.291 318 Y C 2.619 178.582 175.900 0.104 0.000 1.131 318 Y CA 0.810 58.841 58.100 -0.115 0.000 1.281 318 Y CB -0.122 38.220 38.460 -0.198 0.000 1.013 318 Y HN 0.313 nan 8.280 nan 0.000 0.554 319 Q N -0.193 119.700 119.800 0.155 0.000 2.049 319 Q HA -0.153 4.187 4.340 -0.000 0.000 0.198 319 Q C 1.759 177.823 176.000 0.106 0.000 0.971 319 Q CA 1.194 57.094 55.803 0.160 0.000 0.833 319 Q CB -0.076 28.723 28.738 0.102 0.000 0.896 319 Q HN 0.420 nan 8.270 nan 0.000 0.434 320 N N -0.177 118.518 118.700 -0.009 0.000 2.149 320 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 320 N C 1.381 176.940 175.510 0.082 0.000 1.019 320 N CA 1.212 54.245 53.050 -0.028 0.000 0.857 320 N CB -0.259 38.142 38.487 -0.144 0.000 0.997 320 N HN 0.288 nan 8.380 nan 0.000 0.426 321 Y N 0.698 121.019 120.300 0.035 0.000 2.373 321 Y HA 0.070 4.620 4.550 -0.000 0.000 0.293 321 Y C 2.612 178.616 175.900 0.174 0.000 1.129 321 Y CA -0.059 58.083 58.100 0.071 0.000 1.226 321 Y CB -0.842 37.643 38.460 0.041 0.000 1.000 321 Y HN 0.027 nan 8.280 nan 0.000 0.549 322 S N -0.168 115.770 115.700 0.397 0.000 2.399 322 S HA -0.175 4.295 4.470 -0.000 0.000 0.231 322 S C 1.846 176.542 174.600 0.160 0.000 1.022 322 S CA 1.387 59.773 58.200 0.311 0.000 0.983 322 S CB -0.095 63.288 63.200 0.306 0.000 0.803 322 S HN 0.557 nan 8.310 nan 0.000 0.480 323 E N 0.296 120.578 120.200 0.136 0.000 2.208 323 E HA 0.031 4.381 4.350 -0.000 0.000 0.193 323 E C 1.628 178.269 176.600 0.069 0.000 0.988 323 E CA 0.770 57.220 56.400 0.083 0.000 0.828 323 E CB -0.083 29.658 29.700 0.068 0.000 0.763 323 E HN 0.491 nan 8.360 nan 0.000 0.478 324 L N 0.689 121.968 121.223 0.094 0.000 2.599 324 L HA 0.127 4.467 4.340 -0.000 0.000 0.230 324 L C 0.477 177.359 176.870 0.020 0.000 1.141 324 L CA 0.306 55.182 54.840 0.059 0.000 0.877 324 L CB 0.198 42.306 42.059 0.082 0.000 1.009 324 L HN 0.054 nan 8.230 nan 0.000 0.447 325 I N 0.029 120.616 120.570 0.027 0.000 2.583 325 I HA 0.278 4.448 4.170 -0.000 0.000 0.276 325 I C -2.503 173.601 176.117 -0.020 0.000 1.089 325 I CA -1.724 59.563 61.300 -0.022 0.000 1.103 325 I CB 1.542 39.514 38.000 -0.047 0.000 1.209 325 I HN -0.237 nan 8.210 nan 0.000 0.484 326 P HA 0.123 nan 4.420 nan 0.000 0.267 326 P C 0.995 178.268 177.300 -0.045 0.000 1.200 326 P CA 0.691 63.776 63.100 -0.025 0.000 0.772 326 P CB 0.702 32.387 31.700 -0.025 0.000 0.855 327 G N 0.709 109.486 108.800 -0.039 0.000 2.159 327 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.256 327 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.256 327 G C 0.181 175.041 174.900 -0.068 0.000 0.977 327 G CA 0.341 45.410 45.100 -0.052 0.000 0.652 327 G HN 0.852 nan 8.290 nan 0.000 0.531 328 T N -0.558 113.953 114.554 -0.072 0.000 2.794 328 T HA 0.709 5.059 4.350 -0.000 0.000 0.280 328 T C 0.246 174.911 174.700 -0.058 0.000 0.987 328 T CA 0.504 62.529 62.100 -0.123 0.000 0.993 328 T CB 2.085 70.814 68.868 -0.232 0.000 0.939 328 T HN 1.062 nan 8.240 nan 0.000 0.449 329 T N 0.204 114.727 114.554 -0.051 0.000 2.943 329 T HA 0.718 5.068 4.350 -0.000 0.000 0.284 329 T C -0.402 174.354 174.700 0.094 0.000 1.015 329 T CA -0.821 61.298 62.100 0.032 0.000 1.042 329 T CB 1.385 70.276 68.868 0.039 0.000 1.055 329 T HN 0.621 nan 8.240 nan 0.000 0.500 330 V N 0.941 120.958 119.914 0.171 0.000 2.577 330 V HA 0.763 4.883 4.120 -0.000 0.000 0.303 330 V C 0.499 176.710 176.094 0.196 0.000 1.042 330 V CA -0.617 61.846 62.300 0.271 0.000 0.872 330 V CB 1.633 33.663 31.823 0.345 0.000 0.998 330 V HN 1.317 nan 8.190 nan 0.000 0.423 331 G N 1.909 110.828 108.800 0.199 0.000 2.498 331 G HA2 0.591 4.551 3.960 -0.000 0.000 0.312 331 G HA3 0.591 4.551 3.960 -0.000 0.000 0.312 331 G C -1.082 173.896 174.900 0.130 0.000 1.230 331 G CA -0.744 44.442 45.100 0.143 0.000 0.968 331 G HN 0.757 nan 8.290 nan 0.000 0.481 332 V N 3.181 123.154 119.914 0.098 0.000 2.353 332 V HA 0.531 4.651 4.120 -0.000 0.000 0.264 332 V C 0.037 176.173 176.094 0.070 0.000 1.049 332 V CA -0.848 61.499 62.300 0.078 0.000 0.896 332 V CB 0.390 32.252 31.823 0.065 0.000 1.025 332 V HN 0.720 nan 8.190 nan 0.000 0.475 333 L N 7.651 128.911 121.223 0.062 0.000 2.410 333 L HA 0.705 5.045 4.340 -0.000 0.000 0.273 333 L C 0.264 177.167 176.870 0.055 0.000 1.152 333 L CA 1.756 56.632 54.840 0.060 0.000 0.855 333 L CB 0.961 43.046 42.059 0.043 0.000 1.129 333 L HN 1.097 nan 8.230 nan 0.000 0.463 334 S N 3.628 119.371 115.700 0.071 0.000 2.714 334 S HA 0.325 4.795 4.470 -0.000 0.000 0.280 334 S C 0.618 175.298 174.600 0.133 0.000 1.200 334 S CA -0.437 57.813 58.200 0.084 0.000 0.900 334 S CB 0.313 63.553 63.200 0.067 0.000 1.235 334 S HN 0.635 nan 8.310 nan 0.000 0.512 335 M N 1.318 121.013 119.600 0.159 0.000 2.175 335 M HA 0.033 4.513 4.480 -0.000 0.000 0.264 335 M C 0.669 177.108 176.300 0.231 0.000 1.063 335 M CA 1.370 56.833 55.300 0.272 0.000 1.119 335 M CB -0.529 32.162 32.600 0.152 0.000 1.377 335 M HN 0.675 nan 8.290 nan 0.000 0.415 336 D N 0.859 121.337 120.400 0.130 0.000 2.312 336 D HA 0.060 4.700 4.640 -0.000 0.000 0.252 336 D C 0.310 176.660 176.300 0.082 0.000 1.150 336 D CA 0.092 54.150 54.000 0.096 0.000 0.870 336 D CB 1.123 41.962 40.800 0.064 0.000 1.153 336 D HN 0.157 nan 8.370 nan 0.000 0.457 337 S N 1.596 117.337 115.700 0.069 0.000 2.557 337 S HA 0.021 4.491 4.470 -0.000 0.000 0.223 337 S C 1.568 176.191 174.600 0.038 0.000 0.969 337 S CA -0.319 57.909 58.200 0.046 0.000 0.927 337 S CB 0.335 63.548 63.200 0.021 0.000 0.806 337 S HN 0.331 nan 8.310 nan 0.000 0.489 338 S N 3.525 119.249 115.700 0.040 0.000 2.365 338 S HA -0.218 4.252 4.470 -0.000 0.000 0.221 338 S C 1.918 176.542 174.600 0.039 0.000 1.037 338 S CA 1.582 59.803 58.200 0.035 0.000 1.060 338 S CB -0.865 62.355 63.200 0.034 0.000 0.974 338 S HN 0.732 nan 8.310 nan 0.000 0.427 339 N N 1.185 119.913 118.700 0.046 0.000 2.005 339 N HA -0.159 4.581 4.740 -0.000 0.000 0.199 339 N C 1.726 177.272 175.510 0.061 0.000 1.054 339 N CA 2.117 55.199 53.050 0.053 0.000 0.864 339 N CB -0.467 38.054 38.487 0.058 0.000 1.063 339 N HN 0.255 nan 8.380 nan 0.000 0.428 340 V N 1.835 121.789 119.914 0.067 0.000 2.720 340 V HA -0.163 3.957 4.120 -0.000 0.000 0.256 340 V C 2.414 178.546 176.094 0.063 0.000 1.082 340 V CA 0.795 63.142 62.300 0.079 0.000 1.101 340 V CB -0.351 31.527 31.823 0.093 0.000 0.693 340 V HN 0.356 nan 8.190 nan 0.000 0.479 341 L N -0.479 120.770 121.223 0.044 0.000 2.156 341 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 341 L C 2.588 179.479 176.870 0.036 0.000 1.095 341 L CA 1.621 56.478 54.840 0.028 0.000 0.770 341 L CB -1.310 40.756 42.059 0.012 0.000 0.914 341 L HN 0.353 nan 8.230 nan 0.000 0.439 342 Q N -0.035 119.790 119.800 0.042 0.000 2.096 342 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 342 Q C 2.352 178.385 176.000 0.054 0.000 0.982 342 Q CA 1.356 57.186 55.803 0.045 0.000 0.850 342 Q CB -0.360 28.406 28.738 0.046 0.000 0.901 342 Q HN 0.479 nan 8.270 nan 0.000 0.422 343 L N 0.014 121.274 121.223 0.061 0.000 2.127 343 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 343 L C 2.161 179.073 176.870 0.070 0.000 1.089 343 L CA 0.646 55.526 54.840 0.067 0.000 0.757 343 L CB -0.522 41.584 42.059 0.079 0.000 0.899 343 L HN 0.212 nan 8.230 nan 0.000 0.434 344 I N -0.894 119.716 120.570 0.067 0.000 2.406 344 I HA -0.148 4.022 4.170 -0.000 0.000 0.249 344 I C 2.547 178.715 176.117 0.084 0.000 1.122 344 I CA 0.975 62.318 61.300 0.071 0.000 1.431 344 I CB -0.820 37.207 38.000 0.045 0.000 1.087 344 I HN 0.045 nan 8.210 nan 0.000 0.424 345 V N 1.346 121.301 119.914 0.068 0.000 2.237 345 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 345 V C 2.266 178.436 176.094 0.128 0.000 1.046 345 V CA 1.959 64.309 62.300 0.084 0.000 1.007 345 V CB -0.695 31.161 31.823 0.056 0.000 0.638 345 V HN 0.289 nan 8.190 nan 0.000 0.445 346 D N 0.718 121.173 120.400 0.091 0.000 2.106 346 D HA -0.209 4.431 4.640 -0.000 0.000 0.191 346 D C 2.238 178.586 176.300 0.079 0.000 0.997 346 D CA 1.928 55.974 54.000 0.077 0.000 0.834 346 D CB -0.641 40.191 40.800 0.054 0.000 0.956 346 D HN 0.424 nan 8.370 nan 0.000 0.448 347 A N 0.070 122.938 122.820 0.080 0.000 1.927 347 A HA -0.275 4.045 4.320 -0.000 0.000 0.220 347 A C 2.242 179.874 177.584 0.079 0.000 1.185 347 A CA 1.756 53.830 52.037 0.062 0.000 0.639 347 A CB -1.129 17.913 19.000 0.070 0.000 0.820 347 A HN 0.370 nan 8.150 nan 0.000 0.451 348 Y N 0.449 120.760 120.300 0.018 0.000 2.163 348 Y HA 0.006 4.556 4.550 -0.000 0.000 0.288 348 Y C 2.530 178.461 175.900 0.052 0.000 1.136 348 Y CA 1.484 59.608 58.100 0.040 0.000 1.147 348 Y CB -0.822 37.673 38.460 0.060 0.000 0.987 348 Y HN 0.238 nan 8.280 nan 0.000 0.509 349 G N -0.230 108.640 108.800 0.118 0.000 2.479 349 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 349 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 349 G C 1.563 176.441 174.900 -0.036 0.000 1.115 349 G CA 0.798 45.925 45.100 0.044 0.000 0.757 349 G HN 0.384 nan 8.290 nan 0.000 0.560 350 K N -0.389 119.977 120.400 -0.057 0.000 2.426 350 K HA 0.243 4.563 4.320 -0.000 0.000 0.193 350 K C 0.451 176.955 176.600 -0.160 0.000 1.028 350 K CA -0.305 55.934 56.287 -0.081 0.000 1.047 350 K CB 0.268 32.735 32.500 -0.056 0.000 0.821 350 K HN 0.304 nan 8.250 nan 0.000 0.513 351 I N 2.090 122.500 120.570 -0.267 0.000 2.556 351 I HA 0.012 4.181 4.170 -0.000 0.000 0.284 351 I C 0.071 175.902 176.117 -0.477 0.000 1.114 351 I CA -0.050 60.973 61.300 -0.461 0.000 1.418 351 I CB 0.507 38.052 38.000 -0.759 0.000 1.394 351 I HN -0.110 nan 8.210 nan 0.000 0.552 352 R N 3.950 124.195 120.500 -0.426 0.000 2.621 352 R HA 0.498 4.838 4.340 -0.000 0.000 0.292 352 R C -0.647 175.495 176.300 -0.263 0.000 0.969 352 R CA -0.575 55.371 56.100 -0.257 0.000 0.887 352 R CB 2.086 32.308 30.300 -0.130 0.000 1.180 352 R HN 0.767 nan 8.270 nan 0.000 0.450 353 S N 0.840 116.494 115.700 -0.077 0.000 2.759 353 S HA 0.870 5.340 4.470 -0.000 0.000 0.310 353 S C -1.031 173.620 174.600 0.086 0.000 1.123 353 S CA -0.908 57.312 58.200 0.033 0.000 0.959 353 S CB 1.698 65.058 63.200 0.267 0.000 1.172 353 S HN 0.453 nan 8.310 nan 0.000 0.539 354 K N -0.849 119.629 120.400 0.130 0.000 2.523 354 K HA 0.650 4.970 4.320 -0.000 0.000 0.257 354 K C -1.850 174.843 176.600 0.155 0.000 0.932 354 K CA -0.871 55.486 56.287 0.117 0.000 0.812 354 K CB 1.451 33.985 32.500 0.058 0.000 1.326 354 K HN 0.376 nan 8.250 nan 0.000 0.433 355 V N 1.927 121.914 119.914 0.121 0.000 2.334 355 V HA 0.333 4.453 4.120 -0.000 0.000 0.267 355 V C -0.559 175.545 176.094 0.016 0.000 1.040 355 V CA -0.331 61.999 62.300 0.051 0.000 0.866 355 V CB 0.575 32.458 31.823 0.099 0.000 1.019 355 V HN 0.888 nan 8.190 nan 0.000 0.468 356 E N 5.172 125.329 120.200 -0.071 0.000 2.186 356 E HA 0.469 4.819 4.350 -0.000 0.000 0.255 356 E C -0.813 175.649 176.600 -0.229 0.000 0.881 356 E CA -0.634 55.686 56.400 -0.134 0.000 0.752 356 E CB 1.087 30.743 29.700 -0.074 0.000 1.176 356 E HN 0.647 nan 8.360 nan 0.000 0.421 357 L N 4.059 125.043 121.223 -0.399 0.000 2.456 357 L HA 0.223 4.563 4.340 -0.000 0.000 0.272 357 L C 0.412 177.095 176.870 -0.312 0.000 1.189 357 L CA 0.268 54.851 54.840 -0.428 0.000 0.846 357 L CB 0.359 41.990 42.059 -0.714 0.000 1.111 357 L HN 0.628 nan 8.230 nan 0.000 0.475 358 E N 1.522 121.608 120.200 -0.190 0.000 2.317 358 E HA 0.607 4.957 4.350 -0.000 0.000 0.270 358 E C -1.674 174.911 176.600 -0.024 0.000 0.885 358 E CA -0.959 55.378 56.400 -0.105 0.000 0.760 358 E CB 2.305 31.970 29.700 -0.058 0.000 1.227 358 E HN 0.213 nan 8.360 nan 0.000 0.434 359 V N 3.019 122.946 119.914 0.021 0.000 2.334 359 V HA 0.423 4.543 4.120 -0.000 0.000 0.281 359 V C -0.025 176.128 176.094 0.098 0.000 1.016 359 V CA -0.704 61.663 62.300 0.112 0.000 0.832 359 V CB 0.928 32.839 31.823 0.146 0.000 0.999 359 V HN 0.622 nan 8.190 nan 0.000 0.439 360 R N 2.900 123.474 120.500 0.123 0.000 2.474 360 R HA 0.394 4.734 4.340 -0.000 0.000 0.295 360 R C -0.271 176.113 176.300 0.139 0.000 0.980 360 R CA -0.540 55.619 56.100 0.099 0.000 0.934 360 R CB 1.295 31.639 30.300 0.073 0.000 1.101 360 R HN 1.092 nan 8.270 nan 0.000 0.469 361 D N 0.751 121.212 120.400 0.101 0.000 3.003 361 D HA -0.226 4.414 4.640 -0.000 0.000 0.223 361 D C -0.793 175.596 176.300 0.147 0.000 1.204 361 D CA 0.535 54.600 54.000 0.108 0.000 0.828 361 D CB -1.076 39.786 40.800 0.103 0.000 0.918 361 D HN 0.377 nan 8.370 nan 0.000 0.401 362 L N -0.017 121.238 121.223 0.054 0.000 2.362 362 L HA 0.744 5.084 4.340 -0.000 0.000 0.275 362 L C -2.312 174.528 176.870 -0.051 0.000 0.998 362 L CA -2.125 52.669 54.840 -0.076 0.000 0.820 362 L CB 1.522 43.398 42.059 -0.304 0.000 1.270 362 L HN -0.112 nan 8.230 nan 0.000 0.415 363 P HA -0.043 nan 4.420 nan 0.000 0.266 363 P C 0.243 177.534 177.300 -0.016 0.000 1.186 363 P CA 0.094 63.208 63.100 0.024 0.000 0.767 363 P CB 0.548 32.311 31.700 0.105 0.000 0.820 364 E N 2.387 122.581 120.200 -0.009 0.000 2.150 364 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 364 E C 0.713 177.292 176.600 -0.035 0.000 0.985 364 E CA 0.883 57.269 56.400 -0.022 0.000 0.814 364 E CB 0.218 29.908 29.700 -0.016 0.000 0.752 364 E HN 0.527 nan 8.360 nan 0.000 0.466 365 E N 0.730 120.907 120.200 -0.039 0.000 2.296 365 E HA 0.067 4.417 4.350 -0.000 0.000 0.196 365 E C 0.253 176.821 176.600 -0.054 0.000 1.143 365 E CA -0.005 56.355 56.400 -0.066 0.000 1.145 365 E CB -0.328 29.302 29.700 -0.117 0.000 1.215 365 E HN 0.175 nan 8.360 nan 0.000 0.447 366 L N 0.834 122.031 121.223 -0.042 0.000 2.482 366 L HA 0.342 4.682 4.340 -0.000 0.000 0.263 366 L C -1.312 175.506 176.870 -0.087 0.000 0.957 366 L CA -0.401 54.411 54.840 -0.047 0.000 0.836 366 L CB 2.137 44.172 42.059 -0.040 0.000 1.324 366 L HN 0.149 nan 8.230 nan 0.000 0.406 367 S N 3.947 119.597 115.700 -0.083 0.000 2.541 367 S HA 0.772 5.242 4.470 -0.000 0.000 0.280 367 S C -0.990 173.545 174.600 -0.107 0.000 1.112 367 S CA -0.880 57.270 58.200 -0.083 0.000 0.925 367 S CB 1.904 65.072 63.200 -0.054 0.000 1.067 367 S HN 0.494 nan 8.310 nan 0.000 0.479 368 L N 1.741 122.898 121.223 -0.110 0.000 2.304 368 L HA 0.894 5.234 4.340 -0.000 0.000 0.268 368 L C -0.105 176.636 176.870 -0.215 0.000 1.010 368 L CA -0.845 53.866 54.840 -0.216 0.000 0.813 368 L CB 2.072 43.980 42.059 -0.251 0.000 1.315 368 L HN 0.998 nan 8.230 nan 0.000 0.445 369 S N -0.316 115.110 115.700 -0.457 0.000 2.533 369 S HA 0.761 5.231 4.470 -0.000 0.000 0.271 369 S C -1.247 173.033 174.600 -0.534 0.000 1.143 369 S CA -0.763 57.273 58.200 -0.272 0.000 0.891 369 S CB 1.409 64.523 63.200 -0.143 0.000 1.105 369 S HN 0.294 nan 8.310 nan 0.000 0.468 370 F N 1.019 120.944 119.950 -0.042 0.000 2.546 370 F HA 0.623 5.150 4.527 -0.000 0.000 0.320 370 F C 0.036 175.852 175.800 0.026 0.000 1.076 370 F CA -0.920 57.070 58.000 -0.016 0.000 0.928 370 F CB 1.910 40.892 39.000 -0.030 0.000 1.189 370 F HN 0.514 nan 8.300 nan 0.000 0.465 371 N N 1.779 120.619 118.700 0.233 0.000 2.682 371 N HA 0.492 5.232 4.740 -0.000 0.000 0.252 371 N C -0.776 174.860 175.510 0.210 0.000 1.081 371 N CA -0.397 52.749 53.050 0.160 0.000 0.844 371 N CB 1.614 40.142 38.487 0.068 0.000 1.167 371 N HN 0.723 nan 8.380 nan 0.000 0.523 372 A N 1.030 124.004 122.820 0.256 0.000 2.351 372 A HA 0.599 4.919 4.320 -0.000 0.000 0.257 372 A C 0.406 177.993 177.584 0.005 0.000 1.087 372 A CA -0.141 52.024 52.037 0.214 0.000 0.798 372 A CB 0.146 19.355 19.000 0.349 0.000 1.033 372 A HN 0.473 nan 8.150 nan 0.000 0.488 373 T N -0.214 114.245 114.554 -0.158 0.000 3.038 373 T HA 0.468 4.818 4.350 -0.000 0.000 0.344 373 T C 0.060 174.649 174.700 -0.185 0.000 1.054 373 T CA -0.628 61.394 62.100 -0.131 0.000 1.092 373 T CB -0.486 68.315 68.868 -0.112 0.000 1.031 373 T HN 0.615 nan 8.240 nan 0.000 0.482 374 c N 1.955 120.485 118.600 -0.117 0.000 2.310 374 c HA 0.337 4.907 4.570 -0.000 0.000 0.279 374 c C 2.264 176.310 174.090 -0.074 0.000 2.750 374 c CA -0.550 55.718 56.329 -0.101 0.000 1.792 374 c CB -0.707 41.775 42.510 -0.045 0.000 1.957 374 c HN 0.860 nan 8.230 nan 0.000 0.463 375 L N 1.782 122.977 121.223 -0.045 0.000 1.994 375 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 375 L C 2.195 179.049 176.870 -0.027 0.000 1.071 375 L CA 2.186 57.008 54.840 -0.031 0.000 0.745 375 L CB -1.238 40.811 42.059 -0.016 0.000 0.892 375 L HN 0.739 nan 8.230 nan 0.000 0.431 376 N N -0.603 118.084 118.700 -0.022 0.000 2.609 376 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 376 N C 0.210 175.708 175.510 -0.020 0.000 1.157 376 N CA 0.654 53.694 53.050 -0.017 0.000 0.918 376 N CB -0.671 37.809 38.487 -0.012 0.000 0.978 376 N HN 0.477 nan 8.380 nan 0.000 0.448 377 N N 0.062 118.743 118.700 -0.030 0.000 2.713 377 N HA -0.231 4.509 4.740 -0.000 0.000 0.251 377 N C -0.941 174.554 175.510 -0.025 0.000 1.117 377 N CA 0.478 53.508 53.050 -0.033 0.000 0.770 377 N CB -0.810 37.661 38.487 -0.026 0.000 1.137 377 N HN 0.634 nan 8.380 nan 0.000 0.566 378 E N 1.687 121.875 120.200 -0.021 0.000 2.105 378 E HA 0.242 4.592 4.350 -0.000 0.000 0.285 378 E C -0.263 176.331 176.600 -0.010 0.000 1.055 378 E CA -0.429 55.964 56.400 -0.012 0.000 0.843 378 E CB 0.737 30.433 29.700 -0.007 0.000 1.067 378 E HN 0.026 nan 8.360 nan 0.000 0.398 379 V N 6.862 126.772 119.914 -0.006 0.000 2.521 379 V HA 0.122 4.242 4.120 -0.000 0.000 0.286 379 V C 0.412 176.515 176.094 0.015 0.000 1.034 379 V CA 0.267 62.569 62.300 0.003 0.000 1.045 379 V CB 0.329 32.154 31.823 0.004 0.000 0.974 379 V HN 0.608 nan 8.190 nan 0.000 0.480 380 I N 6.955 127.543 120.570 0.030 0.000 2.476 380 I HA 0.357 4.527 4.170 -0.000 0.000 0.281 380 I C -2.572 173.580 176.117 0.058 0.000 1.040 380 I CA -1.879 59.443 61.300 0.037 0.000 1.094 380 I CB 2.283 40.305 38.000 0.036 0.000 1.219 380 I HN 0.432 nan 8.210 nan 0.000 0.450 381 P HA 0.185 nan 4.420 nan 0.000 0.269 381 P C 0.927 178.267 177.300 0.066 0.000 1.215 381 P CA 0.651 63.786 63.100 0.057 0.000 0.780 381 P CB 0.905 32.625 31.700 0.033 0.000 0.898 382 G N 0.755 109.610 108.800 0.091 0.000 2.454 382 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.225 382 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.225 382 G C -0.075 174.886 174.900 0.101 0.000 1.138 382 G CA 0.077 45.233 45.100 0.093 0.000 0.667 382 G HN 0.618 nan 8.290 nan 0.000 0.512 383 L N 1.939 123.216 121.223 0.091 0.000 2.426 383 L HA 0.655 4.995 4.340 -0.000 0.000 0.271 383 L C 1.010 177.928 176.870 0.080 0.000 1.169 383 L CA 0.940 55.821 54.840 0.068 0.000 0.836 383 L CB 0.831 42.935 42.059 0.075 0.000 1.112 383 L HN 0.494 nan 8.230 nan 0.000 0.465 384 K N 1.530 121.892 120.400 -0.064 0.000 3.209 384 K HA 0.465 4.785 4.320 -0.000 0.000 0.202 384 K C -0.981 175.448 176.600 -0.285 0.000 1.109 384 K CA -0.385 55.711 56.287 -0.318 0.000 0.968 384 K CB 0.207 32.194 32.500 -0.854 0.000 0.732 384 K HN 0.418 nan 8.250 nan 0.000 0.450 385 S N 0.610 116.340 115.700 0.050 0.000 2.566 385 S HA 0.443 4.913 4.470 -0.000 0.000 0.273 385 S C -1.205 173.491 174.600 0.160 0.000 1.157 385 S CA -0.658 57.586 58.200 0.075 0.000 0.938 385 S CB 1.561 64.751 63.200 -0.017 0.000 1.087 385 S HN 0.385 nan 8.310 nan 0.000 0.474 386 c N 3.565 122.269 118.600 0.174 0.000 2.563 386 c HA 0.759 5.329 4.570 -0.000 0.000 0.314 386 c C -0.049 174.081 174.090 0.067 0.000 1.199 386 c CA -0.636 55.752 56.329 0.098 0.000 1.564 386 c CB 0.818 43.363 42.510 0.058 0.000 2.173 386 c HN 0.890 nan 8.230 nan 0.000 0.485 387 M N 1.124 120.747 119.600 0.038 0.000 2.755 387 M HA 0.619 5.099 4.480 -0.000 0.000 0.298 387 M C 0.933 177.243 176.300 0.017 0.000 1.251 387 M CA -0.061 55.255 55.300 0.027 0.000 0.817 387 M CB 1.328 33.934 32.600 0.010 0.000 1.760 387 M HN 0.917 nan 8.290 nan 0.000 0.473 388 G N 1.504 110.308 108.800 0.007 0.000 2.198 388 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.260 388 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.260 388 G C -0.503 174.407 174.900 0.017 0.000 1.025 388 G CA 0.435 45.535 45.100 -0.000 0.000 0.769 388 G HN 0.782 nan 8.290 nan 0.000 0.507 389 L N -2.645 118.605 121.223 0.045 0.000 2.309 389 L HA 0.951 5.291 4.340 -0.000 0.000 0.282 389 L C 0.399 177.339 176.870 0.115 0.000 1.036 389 L CA -1.462 53.419 54.840 0.068 0.000 0.806 389 L CB 1.048 43.154 42.059 0.080 0.000 1.220 389 L HN -0.079 nan 8.230 nan 0.000 0.429 390 K N 2.783 123.242 120.400 0.099 0.000 2.868 390 K HA 0.528 4.848 4.320 -0.000 0.000 0.304 390 K C -0.089 176.569 176.600 0.097 0.000 1.007 390 K CA -0.598 55.772 56.287 0.137 0.000 1.123 390 K CB 0.341 32.885 32.500 0.073 0.000 1.408 390 K HN 0.440 nan 8.250 nan 0.000 0.522 391 I N 0.981 121.558 120.570 0.011 0.000 2.519 391 I HA 0.127 4.297 4.170 -0.000 0.000 0.287 391 I C 1.486 177.587 176.117 -0.027 0.000 1.047 391 I CA 0.852 62.094 61.300 -0.096 0.000 1.381 391 I CB 0.019 37.939 38.000 -0.134 0.000 1.417 391 I HN 0.898 nan 8.210 nan 0.000 0.540 392 G N 5.020 113.804 108.800 -0.027 0.000 2.320 392 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.242 392 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.242 392 G C 0.247 175.155 174.900 0.013 0.000 1.033 392 G CA -0.083 45.016 45.100 -0.003 0.000 0.620 392 G HN 0.544 nan 8.290 nan 0.000 0.517 393 D N 1.685 122.098 120.400 0.021 0.000 2.449 393 D HA 0.474 5.114 4.640 -0.000 0.000 0.236 393 D C 0.614 176.930 176.300 0.026 0.000 1.149 393 D CA 1.152 55.166 54.000 0.023 0.000 0.878 393 D CB 0.747 41.565 40.800 0.030 0.000 1.198 393 D HN 0.255 nan 8.370 nan 0.000 0.446 394 T N 0.657 115.214 114.554 0.006 0.000 2.841 394 T HA 0.584 4.934 4.350 -0.000 0.000 0.283 394 T C -0.374 174.298 174.700 -0.047 0.000 1.000 394 T CA -0.700 61.397 62.100 -0.005 0.000 0.977 394 T CB 1.652 70.516 68.868 -0.007 0.000 0.979 394 T HN 0.008 nan 8.240 nan 0.000 0.446 395 V N 2.633 122.498 119.914 -0.083 0.000 2.841 395 V HA 0.750 4.870 4.120 -0.000 0.000 0.310 395 V C -0.331 175.571 176.094 -0.319 0.000 1.090 395 V CA -0.852 61.320 62.300 -0.213 0.000 0.930 395 V CB 2.343 34.026 31.823 -0.234 0.000 1.014 395 V HN 1.104 nan 8.190 nan 0.000 0.425 396 S N 3.180 118.616 115.700 -0.439 0.000 2.600 396 S HA 0.919 5.389 4.470 -0.000 0.000 0.300 396 S C -1.228 172.997 174.600 -0.625 0.000 1.087 396 S CA -0.635 57.340 58.200 -0.375 0.000 0.965 396 S CB 2.022 65.138 63.200 -0.139 0.000 1.089 396 S HN 0.336 nan 8.310 nan 0.000 0.496 397 F N 0.195 120.179 119.950 0.057 0.000 2.576 397 F HA 0.677 5.204 4.527 -0.000 0.000 0.313 397 F C 0.342 176.189 175.800 0.078 0.000 1.078 397 F CA -0.767 57.287 58.000 0.090 0.000 0.921 397 F CB 2.408 41.500 39.000 0.153 0.000 1.232 397 F HN 0.635 nan 8.300 nan 0.000 0.459 398 S N 3.049 118.894 115.700 0.242 0.000 2.438 398 S HA 0.759 5.229 4.470 -0.000 0.000 0.316 398 S C -0.826 173.727 174.600 -0.079 0.000 1.084 398 S CA -0.400 57.835 58.200 0.058 0.000 1.107 398 S CB -0.012 63.196 63.200 0.015 0.000 0.981 398 S HN 0.474 nan 8.310 nan 0.000 0.466 399 I N 3.767 124.148 120.570 -0.317 0.000 2.493 399 I HA 0.507 4.677 4.170 -0.000 0.000 0.298 399 I C 0.000 175.585 176.117 -0.886 0.000 0.998 399 I CA -0.628 60.236 61.300 -0.726 0.000 1.137 399 I CB 1.923 39.434 38.000 -0.816 0.000 1.310 399 I HN 0.568 nan 8.210 nan 0.000 0.445 400 E N 4.698 124.476 120.200 -0.704 0.000 2.218 400 E HA 0.669 5.019 4.350 -0.000 0.000 0.263 400 E C -1.418 174.972 176.600 -0.351 0.000 0.879 400 E CA -0.732 55.388 56.400 -0.466 0.000 0.762 400 E CB 1.828 31.358 29.700 -0.284 0.000 1.166 400 E HN 0.754 nan 8.360 nan 0.000 0.415 401 A N 4.826 127.529 122.820 -0.194 0.000 2.301 401 A HA 0.533 4.853 4.320 -0.000 0.000 0.312 401 A C -0.665 176.909 177.584 -0.016 0.000 1.182 401 A CA -0.566 51.448 52.037 -0.039 0.000 0.826 401 A CB 0.953 20.062 19.000 0.181 0.000 1.134 401 A HN 0.571 nan 8.150 nan 0.000 0.501 402 K N 1.797 122.183 120.400 -0.024 0.000 2.427 402 K HA 0.618 4.938 4.320 -0.000 0.000 0.252 402 K C -0.963 175.640 176.600 0.006 0.000 0.931 402 K CA -0.572 55.709 56.287 -0.009 0.000 0.793 402 K CB 1.942 34.421 32.500 -0.034 0.000 1.211 402 K HN 0.725 nan 8.250 nan 0.000 0.426 403 V N 0.383 120.311 119.914 0.023 0.000 2.994 403 V HA 0.654 4.774 4.120 -0.000 0.000 0.318 403 V C -0.646 175.422 176.094 -0.043 0.000 1.085 403 V CA -1.069 61.231 62.300 -0.001 0.000 0.998 403 V CB 1.677 33.517 31.823 0.028 0.000 1.063 403 V HN 0.870 nan 8.190 nan 0.000 0.447 404 R N 1.301 121.751 120.500 -0.085 0.000 2.363 404 R HA 0.593 4.933 4.340 -0.000 0.000 0.297 404 R C 0.423 176.653 176.300 -0.116 0.000 1.208 404 R CA 0.745 56.796 56.100 -0.081 0.000 1.121 404 R CB 0.437 30.695 30.300 -0.069 0.000 1.124 404 R HN 1.849 nan 8.270 nan 0.000 0.561 405 G N 1.688 110.427 108.800 -0.102 0.000 2.527 405 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.227 405 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.227 405 G C -1.039 173.755 174.900 -0.177 0.000 1.291 405 G CA -0.189 44.842 45.100 -0.114 0.000 0.904 405 G HN 0.611 nan 8.290 nan 0.000 0.577 406 c N 2.388 120.875 118.600 -0.188 0.000 2.653 406 c HA 0.630 5.200 4.570 -0.000 0.000 0.291 406 c C -1.795 172.140 174.090 -0.258 0.000 1.064 406 c CA -0.930 55.259 56.329 -0.233 0.000 1.469 406 c CB -0.032 42.412 42.510 -0.109 0.000 1.861 406 c HN 0.658 nan 8.230 nan 0.000 0.434 407 P HA 0.099 nan 4.420 nan 0.000 0.267 407 P C 0.596 177.828 177.300 -0.113 0.000 1.200 407 P CA 0.378 63.290 63.100 -0.314 0.000 0.772 407 P CB 0.612 31.990 31.700 -0.537 0.000 0.855 408 Q N 0.420 120.192 119.800 -0.048 0.000 2.378 408 Q HA -0.036 4.304 4.340 -0.000 0.000 0.205 408 Q C 0.051 176.083 176.000 0.053 0.000 0.954 408 Q CA 0.589 56.394 55.803 0.003 0.000 0.901 408 Q CB 0.166 28.901 28.738 -0.006 0.000 0.981 408 Q HN 0.571 nan 8.270 nan 0.000 0.483 409 E N 1.225 121.475 120.200 0.083 0.000 2.324 409 E HA 0.014 4.364 4.350 -0.000 0.000 0.271 409 E C 0.014 176.771 176.600 0.261 0.000 1.028 409 E CA 0.235 56.725 56.400 0.150 0.000 0.890 409 E CB 1.058 30.883 29.700 0.208 0.000 1.004 409 E HN 0.062 nan 8.360 nan 0.000 0.431 410 K N 1.541 122.052 120.400 0.186 0.000 2.380 410 K HA 0.008 4.328 4.320 -0.000 0.000 0.198 410 K C -0.257 176.390 176.600 0.079 0.000 1.070 410 K CA 0.180 56.578 56.287 0.185 0.000 1.040 410 K CB 0.677 33.236 32.500 0.097 0.000 0.903 410 K HN 0.282 nan 8.250 nan 0.000 0.549 411 E N 0.890 121.122 120.200 0.054 0.000 2.294 411 E HA 0.301 4.651 4.350 -0.000 0.000 0.272 411 E C -1.626 174.975 176.600 0.001 0.000 0.896 411 E CA -0.538 55.851 56.400 -0.018 0.000 0.802 411 E CB 0.969 30.663 29.700 -0.010 0.000 1.267 411 E HN -0.156 nan 8.360 nan 0.000 0.406 412 K N 1.181 121.558 120.400 -0.039 0.000 2.499 412 K HA 0.744 5.064 4.320 -0.000 0.000 0.277 412 K C -1.426 175.180 176.600 0.010 0.000 1.025 412 K CA -0.732 55.567 56.287 0.019 0.000 0.900 412 K CB 1.680 34.235 32.500 0.091 0.000 1.494 412 K HN 0.634 nan 8.250 nan 0.000 0.442 413 S N -0.328 115.416 115.700 0.073 0.000 2.543 413 S HA 0.796 5.266 4.470 -0.000 0.000 0.274 413 S C -1.066 173.637 174.600 0.173 0.000 1.149 413 S CA -0.973 57.265 58.200 0.063 0.000 0.866 413 S CB 0.987 64.159 63.200 -0.047 0.000 1.111 413 S HN 0.470 nan 8.310 nan 0.000 0.457 414 F N -0.978 118.959 119.950 -0.021 0.000 2.650 414 F HA 0.947 5.474 4.527 -0.000 0.000 0.320 414 F C -0.631 175.170 175.800 0.000 0.000 1.091 414 F CA -0.673 57.329 58.000 0.003 0.000 0.962 414 F CB 1.230 40.247 39.000 0.029 0.000 1.363 414 F HN 0.797 nan 8.300 nan 0.000 0.482 415 T N -0.166 114.443 114.554 0.093 0.000 2.876 415 T HA 0.790 5.140 4.350 -0.000 0.000 0.289 415 T C -0.971 173.798 174.700 0.114 0.000 1.014 415 T CA -0.551 61.545 62.100 -0.006 0.000 0.986 415 T CB 1.627 70.496 68.868 0.001 0.000 1.021 415 T HN 0.739 nan 8.240 nan 0.000 0.458 416 I N 2.909 123.513 120.570 0.056 0.000 2.448 416 I HA 0.459 4.629 4.170 -0.000 0.000 0.281 416 I C -0.408 175.721 176.117 0.019 0.000 1.027 416 I CA -0.788 60.572 61.300 0.100 0.000 1.111 416 I CB 1.446 39.563 38.000 0.195 0.000 1.236 416 I HN 0.778 nan 8.210 nan 0.000 0.452 417 K N 7.379 127.771 120.400 -0.012 0.000 2.498 417 K HA 0.677 4.997 4.320 -0.000 0.000 0.254 417 K C -3.140 173.400 176.600 -0.101 0.000 0.933 417 K CA -1.753 54.507 56.287 -0.045 0.000 0.806 417 K CB 2.715 35.217 32.500 0.003 0.000 1.301 417 K HN 0.049 nan 8.250 nan 0.000 0.432 418 P HA -0.012 nan 4.420 nan 0.000 0.275 418 P C 0.176 177.439 177.300 -0.062 0.000 1.228 418 P CA -0.564 62.369 63.100 -0.280 0.000 0.786 418 P CB 1.014 32.291 31.700 -0.706 0.000 0.927 419 V N -1.116 118.802 119.914 0.008 0.000 2.811 419 V HA 0.508 4.628 4.120 -0.000 0.000 0.302 419 V C 1.388 177.655 176.094 0.287 0.000 1.063 419 V CA 0.478 62.844 62.300 0.110 0.000 1.088 419 V CB -0.418 31.439 31.823 0.056 0.000 0.982 419 V HN 0.987 nan 8.190 nan 0.000 0.485 420 G N 2.027 110.977 108.800 0.249 0.000 2.157 420 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.248 420 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.248 420 G C -0.448 174.577 174.900 0.209 0.000 0.979 420 G CA 0.429 45.663 45.100 0.223 0.000 0.650 420 G HN 0.861 nan 8.290 nan 0.000 0.529 421 F N -1.035 118.931 119.950 0.027 0.000 2.631 421 F HA 0.722 5.249 4.527 -0.000 0.000 0.328 421 F C 1.207 177.019 175.800 0.020 0.000 1.067 421 F CA -1.094 56.922 58.000 0.026 0.000 0.969 421 F CB 1.617 40.635 39.000 0.028 0.000 1.332 421 F HN -0.158 nan 8.300 nan 0.000 0.490 422 K N -0.581 119.942 120.400 0.205 0.000 2.387 422 K HA 0.126 4.446 4.320 -0.000 0.000 0.197 422 K C -0.773 175.896 176.600 0.116 0.000 1.127 422 K CA 0.065 56.422 56.287 0.117 0.000 0.950 422 K CB 0.224 32.761 32.500 0.063 0.000 1.017 422 K HN 0.599 nan 8.250 nan 0.000 0.519 423 D N 1.981 122.476 120.400 0.158 0.000 2.401 423 D HA 0.014 4.654 4.640 -0.000 0.000 0.254 423 D C -0.223 176.129 176.300 0.087 0.000 1.192 423 D CA 0.310 54.382 54.000 0.120 0.000 0.885 423 D CB 0.926 41.820 40.800 0.156 0.000 1.147 423 D HN 0.057 nan 8.370 nan 0.000 0.478 424 S N 1.745 117.469 115.700 0.040 0.000 2.632 424 S HA 0.622 5.092 4.470 -0.000 0.000 0.289 424 S C -1.047 173.542 174.600 -0.017 0.000 1.115 424 S CA -1.193 57.013 58.200 0.010 0.000 0.889 424 S CB 1.504 64.707 63.200 0.006 0.000 1.116 424 S HN 0.313 nan 8.310 nan 0.000 0.486 425 L N 2.044 123.245 121.223 -0.036 0.000 2.276 425 L HA 0.619 4.959 4.340 -0.000 0.000 0.286 425 L C -1.147 175.629 176.870 -0.158 0.000 1.024 425 L CA -0.943 53.849 54.840 -0.079 0.000 0.826 425 L CB -0.044 41.987 42.059 -0.047 0.000 1.211 425 L HN 0.755 nan 8.230 nan 0.000 0.422 426 I N 5.757 126.216 120.570 -0.186 0.000 2.353 426 I HA 0.420 4.590 4.170 -0.000 0.000 0.293 426 I C -0.563 175.328 176.117 -0.376 0.000 0.992 426 I CA -0.833 60.316 61.300 -0.251 0.000 1.268 426 I CB 1.644 39.547 38.000 -0.162 0.000 1.387 426 I HN 0.275 nan 8.210 nan 0.000 0.478 427 V N 5.991 125.547 119.914 -0.596 0.000 2.407 427 V HA 0.270 4.390 4.120 -0.000 0.000 0.291 427 V C -0.264 175.557 176.094 -0.455 0.000 1.018 427 V CA -0.736 61.163 62.300 -0.669 0.000 0.842 427 V CB 1.386 32.529 31.823 -1.133 0.000 0.996 427 V HN 0.693 nan 8.190 nan 0.000 0.426 428 Q N 3.273 122.902 119.800 -0.284 0.000 2.322 428 Q HA 0.502 4.842 4.340 -0.000 0.000 0.256 428 Q C -0.767 175.133 176.000 -0.165 0.000 0.960 428 Q CA -0.368 55.327 55.803 -0.181 0.000 0.934 428 Q CB 1.998 30.648 28.738 -0.148 0.000 1.200 428 Q HN 0.629 nan 8.270 nan 0.000 0.435 429 V N 2.954 122.782 119.914 -0.143 0.000 2.439 429 V HA 0.382 4.502 4.120 -0.000 0.000 0.282 429 V C 0.010 175.850 176.094 -0.424 0.000 1.039 429 V CA -0.376 61.773 62.300 -0.251 0.000 0.913 429 V CB 1.650 33.335 31.823 -0.229 0.000 0.983 429 V HN 0.738 nan 8.190 nan 0.000 0.460 430 T N 5.239 119.521 114.554 -0.453 0.000 2.879 430 T HA 0.576 4.926 4.350 -0.000 0.000 0.290 430 T C -0.813 173.655 174.700 -0.386 0.000 0.993 430 T CA -0.200 61.675 62.100 -0.375 0.000 0.975 430 T CB 0.806 69.573 68.868 -0.167 0.000 0.981 430 T HN 0.256 nan 8.240 nan 0.000 0.439 431 F N 2.225 122.179 119.950 0.006 0.000 2.350 431 F HA 0.343 4.870 4.527 -0.000 0.000 0.365 431 F C 0.685 176.480 175.800 -0.008 0.000 1.122 431 F CA -1.647 56.353 58.000 0.001 0.000 1.139 431 F CB 0.659 39.660 39.000 0.001 0.000 1.220 431 F HN 0.463 nan 8.300 nan 0.000 0.499 432 D N 2.803 123.292 120.400 0.149 0.000 2.468 432 D HA 0.265 4.905 4.640 -0.000 0.000 0.218 432 D C 0.194 176.531 176.300 0.063 0.000 1.155 432 D CA -0.013 54.031 54.000 0.073 0.000 0.924 432 D CB 0.404 41.222 40.800 0.031 0.000 1.029 432 D HN 0.540 nan 8.370 nan 0.000 0.515 433 c N 2.161 120.792 118.600 0.052 0.000 2.664 433 c HA 0.159 4.729 4.570 -0.000 0.000 0.285 433 c C 0.501 174.584 174.090 -0.011 0.000 1.386 433 c CA -0.242 56.097 56.329 0.018 0.000 1.753 433 c CB -0.971 41.545 42.510 0.010 0.000 2.115 433 c HN 0.543 nan 8.230 nan 0.000 0.577 434 D N 0.350 120.742 120.400 -0.013 0.000 2.449 434 D HA 0.227 4.867 4.640 -0.000 0.000 0.236 434 D C -0.015 176.263 176.300 -0.038 0.000 1.149 434 D CA 0.218 54.198 54.000 -0.035 0.000 0.878 434 D CB 0.360 41.146 40.800 -0.024 0.000 1.198 434 D HN 0.356 nan 8.370 nan 0.000 0.446 435 c N 0.921 119.481 118.600 -0.066 0.000 2.365 435 c HA 0.514 5.084 4.570 -0.000 0.000 0.374 435 c C 1.680 175.754 174.090 -0.026 0.000 1.318 435 c CA -0.548 55.746 56.329 -0.057 0.000 2.239 435 c CB 0.554 42.988 42.510 -0.127 0.000 2.144 435 c HN 0.769 nan 8.230 nan 0.000 0.581 436 A N -0.321 122.500 122.820 0.002 0.000 2.150 436 A HA 0.198 4.518 4.320 -0.000 0.000 0.220 436 A C 1.091 178.688 177.584 0.021 0.000 1.356 436 A CA 0.631 52.681 52.037 0.020 0.000 1.145 436 A CB -1.354 17.672 19.000 0.045 0.000 0.826 436 A HN 1.147 nan 8.150 nan 0.000 0.524 437 C N -1.175 118.126 119.300 0.002 0.000 4.552 437 C HA -0.107 4.353 4.460 -0.000 0.000 0.268 437 C C 0.505 175.508 174.990 0.022 0.000 1.288 437 C CA 0.177 59.198 59.018 0.005 0.000 1.776 437 C CB -2.588 25.161 27.740 0.014 0.000 1.415 437 C HN 0.768 nan 8.230 nan 0.000 0.729 438 Q N 0.232 120.047 119.800 0.026 0.000 2.247 438 Q HA 0.490 4.830 4.340 -0.000 0.000 0.288 438 Q C 0.203 176.253 176.000 0.083 0.000 1.079 438 Q CA 1.348 57.209 55.803 0.096 0.000 0.932 438 Q CB 0.457 29.275 28.738 0.133 0.000 1.133 438 Q HN 0.891 nan 8.270 nan 0.000 0.377 439 A N 2.892 125.790 122.820 0.131 0.000 2.454 439 A HA 0.763 5.083 4.320 -0.000 0.000 0.302 439 A C -0.650 177.024 177.584 0.149 0.000 1.079 439 A CA -0.598 51.505 52.037 0.111 0.000 0.731 439 A CB 1.919 20.957 19.000 0.063 0.000 1.299 439 A HN 0.586 nan 8.150 nan 0.000 0.413 440 Q N 0.000 119.883 119.800 0.138 0.000 2.315 440 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 440 Q CA 0.000 55.876 55.803 0.121 0.000 1.022 440 Q CB 0.000 28.838 28.738 0.167 0.000 1.108 440 Q HN 0.000 nan 8.270 nan 0.000 0.481