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 3nud_1_B DATA FIRST_RESID -1 DATA SEQUENCE GAMNWTVDIP IXXXXXXPPL PTDLRTRLDA ALAKPAAQQP TWPADQALAM DATA SEQUENCE RTVLESVPPV TVPSEIVRLQ EQLAQVAKGE AFLLQGGDCA ETFMDNTEPH DATA SEQUENCE IRGNVRALLQ MAVVLTYGAS MPVVKVARIA GQYAKPRSAD IDALGLRSYR DATA SEQUENCE GDMINGFAPD AAAREHDPSR LVRAYANASA AMNLVRALTS SGLASLHLVH DATA SEQUENCE DWNREFVRTS PAGARYEALA TEIDRGLRFM SACGVADRNL QTAEIYASHE DATA SEQUENCE ALVLDYERAM LRLSDGDDGE PQLFDLSAHT VWIGERTRQI DGAHIAFAQV DATA SEQUENCE IANPVGVKLG PNMTPELAVE YVERLDPHNK PGRLTLVSRM GNHKVRDLLP DATA SEQUENCE PIVEKVQATG HQVIWQCDPM HGNTHESXXX FKTRHFDRIV DEVQGFFEVH DATA SEQUENCE RALGTHPGGI HVEITGENVT XXXXXXXXXX XXXXAGRYET ACDPRLNTQQ DATA SEQUENCE SLELAFLVAE MLRD 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 0.000 174.922 174.900 0.037 0.000 0.946 -1 G CA 0.000 45.127 45.100 0.045 0.000 0.502 0 A N 0.571 123.409 122.820 0.030 0.000 3.026 0 A HA 0.631 4.951 4.320 -0.000 0.000 0.272 0 A C 1.828 179.428 177.584 0.027 0.000 1.782 0 A CA 1.335 53.385 52.037 0.022 0.000 1.451 0 A CB -1.097 17.911 19.000 0.013 0.000 1.081 0 A HN 2.450 nan 8.150 nan 0.000 0.611 1 M N 0.109 119.730 119.600 0.035 0.000 2.901 1 M HA -0.227 4.252 4.480 -0.000 0.000 0.182 1 M C 0.039 176.374 176.300 0.058 0.000 0.641 1 M CA 2.165 57.489 55.300 0.040 0.000 0.689 1 M CB -2.991 29.627 32.600 0.029 0.000 2.484 1 M HN 2.103 nan 8.290 nan 0.000 0.302 2 N N -0.921 117.821 118.700 0.070 0.000 2.647 2 N HA 0.583 5.323 4.740 -0.000 0.000 0.259 2 N C -0.828 174.765 175.510 0.137 0.000 1.098 2 N CA -0.445 52.665 53.050 0.100 0.000 0.984 2 N CB -0.162 38.336 38.487 0.018 0.000 1.683 2 N HN 1.295 nan 8.380 nan 0.000 0.501 3 W N 0.799 122.082 121.300 -0.029 0.000 2.210 3 W HA 0.523 5.183 4.660 -0.000 0.000 0.330 3 W C -1.260 175.241 176.519 -0.029 0.000 1.334 3 W CA -0.257 57.071 57.345 -0.029 0.000 1.227 3 W CB -0.218 29.222 29.460 -0.034 0.000 1.178 3 W HN 0.407 nan 8.180 nan 0.000 0.560 4 T N 4.405 119.033 114.554 0.122 0.000 2.821 4 T HA 0.341 4.691 4.350 -0.000 0.000 0.307 4 T C 0.018 174.729 174.700 0.018 0.000 1.034 4 T CA -0.472 61.616 62.100 -0.020 0.000 0.953 4 T CB 0.533 69.399 68.868 -0.004 0.000 0.968 4 T HN 0.423 nan 8.240 nan 0.000 0.462 5 V N 2.082 121.947 119.914 -0.081 0.000 2.743 5 V HA 0.847 4.967 4.120 -0.000 0.000 0.301 5 V C -0.379 175.685 176.094 -0.050 0.000 1.057 5 V CA -1.110 61.176 62.300 -0.022 0.000 1.006 5 V CB 1.567 33.355 31.823 -0.059 0.000 1.024 5 V HN 0.838 nan 8.190 nan 0.000 0.473 6 D N 1.750 122.139 120.400 -0.019 0.000 2.505 6 D HA 0.488 5.128 4.640 -0.000 0.000 0.249 6 D C -0.227 176.055 176.300 -0.031 0.000 1.082 6 D CA -0.701 53.282 54.000 -0.028 0.000 0.839 6 D CB 1.372 42.166 40.800 -0.011 0.000 1.317 6 D HN 0.637 nan 8.370 nan 0.000 0.497 7 I N 1.954 122.499 120.570 -0.042 0.000 2.775 7 I HA 0.054 4.224 4.170 -0.000 0.000 0.290 7 I C -1.679 174.419 176.117 -0.031 0.000 1.203 7 I CA -1.342 59.932 61.300 -0.043 0.000 1.433 7 I CB 0.454 38.426 38.000 -0.046 0.000 1.354 7 I HN 0.284 nan 8.210 nan 0.000 0.579 8 P HA 0.128 nan 4.420 nan 0.000 0.266 8 P C -0.282 177.006 177.300 -0.020 0.000 1.419 8 P CA -0.076 63.010 63.100 -0.023 0.000 1.112 8 P CB -0.233 31.451 31.700 -0.026 0.000 1.438 17 P HA 0.385 nan 4.420 nan 0.000 0.276 17 P C -0.418 176.885 177.300 0.006 0.000 1.244 17 P CA -0.526 62.577 63.100 0.004 0.000 0.801 17 P CB 1.263 32.964 31.700 0.003 0.000 1.006 18 L N 1.987 123.214 121.223 0.006 0.000 2.439 18 L HA 0.209 4.549 4.340 -0.000 0.000 0.269 18 L C -1.785 175.088 176.870 0.005 0.000 1.179 18 L CA -1.770 53.074 54.840 0.007 0.000 0.828 18 L CB -0.051 42.012 42.059 0.007 0.000 1.106 18 L HN 0.325 nan 8.230 nan 0.000 0.467 19 P HA 0.000 nan 4.420 nan 0.000 0.265 19 P C 0.630 177.931 177.300 0.000 0.000 1.193 19 P CA 0.069 63.170 63.100 0.002 0.000 0.765 19 P CB 0.548 32.249 31.700 0.000 0.000 0.823 20 T N 1.105 115.659 114.554 0.001 0.000 2.685 20 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 20 T C 1.302 176.001 174.700 -0.001 0.000 1.034 20 T CA 2.011 64.111 62.100 0.001 0.000 1.149 20 T CB -0.687 68.181 68.868 0.001 0.000 0.860 20 T HN 0.614 nan 8.240 nan 0.000 0.449 21 D N 2.106 122.504 120.400 -0.002 0.000 2.104 21 D HA -0.125 4.514 4.640 -0.000 0.000 0.194 21 D C 2.089 178.384 176.300 -0.008 0.000 0.994 21 D CA 1.089 55.087 54.000 -0.004 0.000 0.830 21 D CB -0.827 39.970 40.800 -0.005 0.000 0.959 21 D HN 0.382 nan 8.370 nan 0.000 0.452 22 L N -0.293 120.924 121.223 -0.011 0.000 2.217 22 L HA 0.004 4.343 4.340 -0.000 0.000 0.211 22 L C 2.749 179.614 176.870 -0.009 0.000 1.107 22 L CA 0.466 55.295 54.840 -0.017 0.000 0.783 22 L CB -0.441 41.604 42.059 -0.022 0.000 0.919 22 L HN 0.015 nan 8.230 nan 0.000 0.442 23 R N 0.835 121.334 120.500 -0.001 0.000 2.066 23 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 23 R C 2.135 178.439 176.300 0.006 0.000 1.131 23 R CA 2.330 58.434 56.100 0.005 0.000 0.955 23 R CB -1.161 29.142 30.300 0.005 0.000 0.851 23 R HN 0.144 nan 8.270 nan 0.000 0.432 24 T N 1.519 116.075 114.554 0.003 0.000 2.684 24 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 24 T C 1.819 176.521 174.700 0.004 0.000 1.036 24 T CA 1.673 63.775 62.100 0.003 0.000 1.148 24 T CB -0.185 68.684 68.868 0.001 0.000 0.863 24 T HN 0.287 nan 8.240 nan 0.000 0.436 25 R N 0.507 121.007 120.500 -0.001 0.000 2.070 25 R HA -0.009 4.331 4.340 -0.000 0.000 0.233 25 R C 2.474 178.778 176.300 0.006 0.000 1.137 25 R CA 1.053 57.151 56.100 -0.003 0.000 0.945 25 R CB -1.045 29.246 30.300 -0.016 0.000 0.845 25 R HN 0.274 nan 8.270 nan 0.000 0.430 26 L N 1.934 123.162 121.223 0.008 0.000 2.079 26 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 26 L C 1.312 178.214 176.870 0.053 0.000 1.081 26 L CA 1.952 56.815 54.840 0.038 0.000 0.752 26 L CB -0.540 41.543 42.059 0.040 0.000 0.896 26 L HN 0.029 nan 8.230 nan 0.000 0.433 27 D N -0.328 120.091 120.400 0.032 0.000 2.149 27 D HA -0.056 4.584 4.640 -0.000 0.000 0.201 27 D C 2.241 178.553 176.300 0.020 0.000 0.972 27 D CA 1.382 55.397 54.000 0.026 0.000 0.835 27 D CB -0.199 40.611 40.800 0.017 0.000 0.966 27 D HN 0.474 nan 8.370 nan 0.000 0.476 28 A N 0.759 123.589 122.820 0.016 0.000 1.972 28 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 28 A C 2.234 179.829 177.584 0.017 0.000 1.169 28 A CA 2.056 54.100 52.037 0.012 0.000 0.635 28 A CB -0.592 18.412 19.000 0.008 0.000 0.810 28 A HN 0.234 nan 8.150 nan 0.000 0.446 29 A N -0.341 122.498 122.820 0.032 0.000 1.872 29 A HA 0.065 4.385 4.320 -0.000 0.000 0.214 29 A C 2.094 179.698 177.584 0.034 0.000 1.187 29 A CA 1.335 53.401 52.037 0.048 0.000 0.614 29 A CB -0.529 18.526 19.000 0.092 0.000 0.826 29 A HN 0.444 nan 8.150 nan 0.000 0.442 30 L N -0.669 120.577 121.223 0.037 0.000 2.291 30 L HA -0.092 4.248 4.340 -0.000 0.000 0.214 30 L C 2.955 179.814 176.870 -0.018 0.000 1.120 30 L CA 0.648 55.488 54.840 -0.001 0.000 0.799 30 L CB -0.429 41.637 42.059 0.011 0.000 0.925 30 L HN 0.437 nan 8.230 nan 0.000 0.446 31 A N 0.100 122.917 122.820 -0.004 0.000 1.933 31 A HA -0.145 4.174 4.320 -0.000 0.000 0.218 31 A C 1.258 178.833 177.584 -0.015 0.000 1.175 31 A CA 0.887 52.919 52.037 -0.008 0.000 0.628 31 A CB -0.307 18.692 19.000 -0.001 0.000 0.814 31 A HN 0.253 nan 8.150 nan 0.000 0.444 32 K N 0.400 120.791 120.400 -0.015 0.000 2.397 32 K HA 0.199 4.519 4.320 -0.000 0.000 0.265 32 K C -2.511 174.067 176.600 -0.036 0.000 0.982 32 K CA -1.092 55.184 56.287 -0.019 0.000 0.931 32 K CB -0.074 32.419 32.500 -0.011 0.000 0.943 32 K HN 0.171 nan 8.250 nan 0.000 0.501 33 P HA 0.085 nan 4.420 nan 0.000 0.271 33 P C -1.537 175.731 177.300 -0.052 0.000 1.216 33 P CA -0.257 62.823 63.100 -0.033 0.000 0.776 33 P CB 1.084 32.775 31.700 -0.015 0.000 0.881 34 A N 2.428 125.205 122.820 -0.073 0.000 2.319 34 A HA 0.693 5.013 4.320 -0.000 0.000 0.310 34 A C -0.145 177.426 177.584 -0.022 0.000 1.152 34 A CA -0.723 51.243 52.037 -0.118 0.000 0.783 34 A CB 1.009 19.874 19.000 -0.225 0.000 1.184 34 A HN 0.571 nan 8.150 nan 0.000 0.474 35 A N 2.030 124.896 122.820 0.077 0.000 2.322 35 A HA 0.569 4.888 4.320 -0.000 0.000 0.269 35 A C 0.678 178.319 177.584 0.094 0.000 1.094 35 A CA -0.126 51.960 52.037 0.080 0.000 0.807 35 A CB 0.089 19.138 19.000 0.081 0.000 1.047 35 A HN 1.221 nan 8.150 nan 0.000 0.487 36 Q N -1.029 118.783 119.800 0.019 0.000 2.481 36 Q HA -0.157 4.182 4.340 -0.000 0.000 0.258 36 Q C -0.277 175.697 176.000 -0.042 0.000 0.961 36 Q CA 1.052 56.845 55.803 -0.017 0.000 1.121 36 Q CB -1.507 27.211 28.738 -0.034 0.000 1.503 36 Q HN 0.852 nan 8.270 nan 0.000 0.544 37 Q N 0.257 120.025 119.800 -0.053 0.000 2.317 37 Q HA 0.464 4.804 4.340 -0.000 0.000 0.229 37 Q C -1.831 174.041 176.000 -0.214 0.000 0.984 37 Q CA -1.577 54.149 55.803 -0.129 0.000 0.911 37 Q CB -0.006 28.656 28.738 -0.127 0.000 1.217 37 Q HN 0.057 nan 8.270 nan 0.000 0.501 38 P HA 0.133 nan 4.420 nan 0.000 0.274 38 P C -0.254 176.770 177.300 -0.459 0.000 1.237 38 P CA -0.179 62.579 63.100 -0.571 0.000 0.793 38 P CB 0.446 31.207 31.700 -1.564 0.000 0.977 39 T N -2.529 111.961 114.554 -0.108 0.000 3.268 39 T HA 0.332 4.682 4.350 -0.000 0.000 0.258 39 T C -0.245 174.433 174.700 -0.037 0.000 0.966 39 T CA -0.755 61.246 62.100 -0.165 0.000 0.952 39 T CB -1.073 67.680 68.868 -0.191 0.000 1.132 39 T HN 0.377 nan 8.240 nan 0.000 0.536 40 W N 0.683 122.045 121.300 0.103 0.000 2.260 40 W HA 0.758 5.418 4.660 -0.000 0.000 0.366 40 W C -2.935 173.601 176.519 0.027 0.000 1.315 40 W CA -3.306 54.076 57.345 0.061 0.000 1.458 40 W CB -1.131 28.374 29.460 0.075 0.000 1.255 40 W HN -0.079 nan 8.180 nan 0.000 0.671 41 P HA 0.283 nan 4.420 nan 0.000 0.279 41 P C 0.492 177.916 177.300 0.207 0.000 1.239 41 P CA -0.057 63.163 63.100 0.200 0.000 0.789 41 P CB 1.248 33.011 31.700 0.106 0.000 0.933 42 A N 3.293 126.203 122.820 0.149 0.000 1.933 42 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 42 A C 1.823 179.443 177.584 0.059 0.000 1.175 42 A CA 1.790 53.898 52.037 0.119 0.000 0.628 42 A CB -1.177 17.871 19.000 0.080 0.000 0.814 42 A HN 0.698 nan 8.150 nan 0.000 0.444 43 D N -0.360 120.063 120.400 0.038 0.000 2.190 43 D HA -0.267 4.372 4.640 -0.000 0.000 0.200 43 D C 1.710 177.999 176.300 -0.018 0.000 0.992 43 D CA 1.909 55.914 54.000 0.008 0.000 0.854 43 D CB -0.481 40.322 40.800 0.005 0.000 0.936 43 D HN 0.661 nan 8.370 nan 0.000 0.462 44 Q N -0.215 119.567 119.800 -0.030 0.000 2.259 44 Q HA 0.229 4.569 4.340 -0.000 0.000 0.201 44 Q C 2.450 178.354 176.000 -0.160 0.000 0.938 44 Q CA 0.755 56.499 55.803 -0.099 0.000 0.872 44 Q CB 0.052 28.718 28.738 -0.121 0.000 0.971 44 Q HN 0.378 nan 8.270 nan 0.000 0.494 45 A N 1.033 123.771 122.820 -0.137 0.000 1.933 45 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 45 A C 2.007 179.558 177.584 -0.055 0.000 1.175 45 A CA 1.079 53.037 52.037 -0.132 0.000 0.628 45 A CB -0.556 18.518 19.000 0.124 0.000 0.814 45 A HN 0.348 nan 8.150 nan 0.000 0.444 46 L N -0.291 120.918 121.223 -0.023 0.000 2.083 46 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 46 L C 2.621 179.465 176.870 -0.043 0.000 1.083 46 L CA 2.128 56.957 54.840 -0.019 0.000 0.752 46 L CB -0.795 41.260 42.059 -0.008 0.000 0.899 46 L HN 0.344 nan 8.230 nan 0.000 0.433 47 A N -0.963 121.818 122.820 -0.064 0.000 1.873 47 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 47 A C 2.166 179.695 177.584 -0.091 0.000 1.186 47 A CA 1.946 53.938 52.037 -0.075 0.000 0.616 47 A CB -0.471 18.478 19.000 -0.084 0.000 0.823 47 A HN 0.443 nan 8.150 nan 0.000 0.442 48 M N -0.485 119.043 119.600 -0.121 0.000 2.117 48 M HA -0.085 4.395 4.480 -0.000 0.000 0.262 48 M C 2.151 178.398 176.300 -0.088 0.000 1.065 48 M CA 1.362 56.586 55.300 -0.128 0.000 1.114 48 M CB -1.286 31.203 32.600 -0.184 0.000 1.361 48 M HN 0.398 nan 8.290 nan 0.000 0.408 49 R N -0.531 119.930 120.500 -0.066 0.000 2.096 49 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 49 R C 2.232 178.497 176.300 -0.059 0.000 1.127 49 R CA 1.818 57.889 56.100 -0.048 0.000 0.968 49 R CB -0.590 29.698 30.300 -0.021 0.000 0.861 49 R HN 0.386 nan 8.270 nan 0.000 0.440 50 T N 0.783 115.304 114.554 -0.055 0.000 2.684 50 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 50 T C 1.994 176.655 174.700 -0.066 0.000 1.036 50 T CA 1.490 63.558 62.100 -0.053 0.000 1.148 50 T CB -0.264 68.577 68.868 -0.045 0.000 0.863 50 T HN -0.006 nan 8.240 nan 0.000 0.436 51 V N 1.256 121.124 119.914 -0.076 0.000 2.252 51 V HA -0.157 3.963 4.120 -0.000 0.000 0.249 51 V C 2.477 178.498 176.094 -0.122 0.000 1.056 51 V CA 1.511 63.759 62.300 -0.086 0.000 1.022 51 V CB -0.639 31.129 31.823 -0.091 0.000 0.641 51 V HN 0.313 nan 8.190 nan 0.000 0.445 52 L N -0.376 120.762 121.223 -0.143 0.000 2.141 52 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 52 L C 2.359 179.113 176.870 -0.192 0.000 1.094 52 L CA 1.638 56.347 54.840 -0.219 0.000 0.763 52 L CB -0.904 41.050 42.059 -0.175 0.000 0.908 52 L HN 0.393 nan 8.230 nan 0.000 0.437 53 E N -1.045 119.083 120.200 -0.121 0.000 2.265 53 E HA -0.098 4.252 4.350 -0.000 0.000 0.196 53 E C 0.785 177.337 176.600 -0.080 0.000 0.996 53 E CA 1.069 57.417 56.400 -0.088 0.000 0.832 53 E CB 0.057 29.725 29.700 -0.054 0.000 0.756 53 E HN 0.481 nan 8.360 nan 0.000 0.491 54 S N -0.173 115.474 115.700 -0.088 0.000 2.422 54 S HA 0.297 4.767 4.470 -0.000 0.000 0.226 54 S C -0.102 174.447 174.600 -0.085 0.000 1.242 54 S CA -0.876 57.283 58.200 -0.068 0.000 1.231 54 S CB 0.069 63.243 63.200 -0.042 0.000 1.067 54 S HN 0.057 nan 8.310 nan 0.000 0.462 55 V N -2.240 117.585 119.914 -0.149 0.000 2.966 55 V HA 0.778 4.898 4.120 -0.000 0.000 0.317 55 V C -2.947 173.109 176.094 -0.064 0.000 1.070 55 V CA -2.814 59.387 62.300 -0.165 0.000 1.008 55 V CB 0.116 31.637 31.823 -0.503 0.000 1.070 55 V HN 0.169 nan 8.190 nan 0.000 0.457 56 P HA 0.269 nan 4.420 nan 0.000 0.267 56 P C -2.553 174.865 177.300 0.198 0.000 1.205 56 P CA -0.531 62.643 63.100 0.123 0.000 0.765 56 P CB -0.187 31.606 31.700 0.155 0.000 0.828 57 P HA 0.012 nan 4.420 nan 0.000 0.274 57 P C 0.570 177.964 177.300 0.157 0.000 1.237 57 P CA -0.083 63.097 63.100 0.133 0.000 0.793 57 P CB 0.933 32.667 31.700 0.056 0.000 0.977 58 V N 0.449 120.458 119.914 0.159 0.000 2.488 58 V HA -0.029 4.091 4.120 -0.000 0.000 0.246 58 V C 1.475 177.582 176.094 0.021 0.000 1.046 58 V CA 2.284 64.644 62.300 0.099 0.000 1.053 58 V CB -0.834 31.059 31.823 0.117 0.000 0.679 58 V HN 0.808 nan 8.190 nan 0.000 0.458 59 T N -1.524 113.014 114.554 -0.027 0.000 2.887 59 T HA 0.729 5.079 4.350 -0.000 0.000 0.292 59 T C -0.820 173.863 174.700 -0.027 0.000 1.087 59 T CA -0.337 61.713 62.100 -0.083 0.000 1.009 59 T CB 2.102 70.725 68.868 -0.408 0.000 1.203 59 T HN 0.280 nan 8.240 nan 0.000 0.518 60 V N -1.723 118.192 119.914 0.002 0.000 2.823 60 V HA 0.604 4.724 4.120 -0.000 0.000 0.312 60 V C -2.326 173.686 176.094 -0.137 0.000 1.072 60 V CA -2.627 59.637 62.300 -0.059 0.000 0.937 60 V CB 1.401 33.205 31.823 -0.033 0.000 1.013 60 V HN 0.610 nan 8.190 nan 0.000 0.430 61 P HA -0.221 nan 4.420 nan 0.000 0.216 61 P C 2.035 179.156 177.300 -0.300 0.000 1.157 61 P CA 2.668 65.335 63.100 -0.721 0.000 0.880 61 P CB 0.017 31.098 31.700 -1.032 0.000 0.791 62 S N -0.279 115.327 115.700 -0.157 0.000 2.374 62 S HA -0.268 4.202 4.470 -0.000 0.000 0.227 62 S C 1.895 176.514 174.600 0.031 0.000 1.037 62 S CA 1.600 59.773 58.200 -0.045 0.000 1.024 62 S CB -1.305 61.881 63.200 -0.024 0.000 0.861 62 S HN 0.260 nan 8.310 nan 0.000 0.456 63 E N 0.947 121.196 120.200 0.081 0.000 2.106 63 E HA 0.012 4.362 4.350 -0.000 0.000 0.192 63 E C 2.128 178.874 176.600 0.243 0.000 0.984 63 E CA 1.311 57.829 56.400 0.197 0.000 0.806 63 E CB -0.331 29.546 29.700 0.295 0.000 0.750 63 E HN 0.609 nan 8.360 nan 0.000 0.458 64 I N 0.775 121.477 120.570 0.220 0.000 2.286 64 I HA -0.233 3.936 4.170 -0.000 0.000 0.248 64 I C 2.321 178.529 176.117 0.153 0.000 1.115 64 I CA 0.753 62.187 61.300 0.223 0.000 1.392 64 I CB -0.187 37.973 38.000 0.265 0.000 1.065 64 I HN -0.005 nan 8.210 nan 0.000 0.418 65 V N 0.890 120.885 119.914 0.135 0.000 2.358 65 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 65 V C 2.634 178.761 176.094 0.055 0.000 1.047 65 V CA 1.866 64.232 62.300 0.110 0.000 1.035 65 V CB -0.766 31.115 31.823 0.096 0.000 0.658 65 V HN 0.422 nan 8.190 nan 0.000 0.452 66 R N -0.228 120.308 120.500 0.060 0.000 2.092 66 R HA -0.163 4.177 4.340 -0.000 0.000 0.231 66 R C 2.277 178.570 176.300 -0.012 0.000 1.119 66 R CA 1.583 57.714 56.100 0.052 0.000 0.970 66 R CB -0.339 30.023 30.300 0.104 0.000 0.864 66 R HN 0.433 nan 8.270 nan 0.000 0.440 67 L N 1.366 122.523 121.223 -0.111 0.000 2.012 67 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 67 L C 2.404 179.151 176.870 -0.205 0.000 1.073 67 L CA 2.076 56.670 54.840 -0.410 0.000 0.748 67 L CB -0.672 41.023 42.059 -0.605 0.000 0.891 67 L HN 0.239 nan 8.230 nan 0.000 0.431 68 Q N -0.087 119.660 119.800 -0.088 0.000 2.135 68 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 68 Q C 2.018 177.992 176.000 -0.043 0.000 0.981 68 Q CA 2.204 57.978 55.803 -0.049 0.000 0.856 68 Q CB -0.167 28.573 28.738 0.003 0.000 0.902 68 Q HN 0.683 nan 8.270 nan 0.000 0.425 69 E N -0.440 119.742 120.200 -0.031 0.000 2.072 69 E HA -0.174 4.176 4.350 -0.000 0.000 0.190 69 E C 2.171 178.755 176.600 -0.026 0.000 0.982 69 E CA 1.116 57.505 56.400 -0.018 0.000 0.803 69 E CB -0.052 29.647 29.700 -0.001 0.000 0.755 69 E HN 0.493 nan 8.360 nan 0.000 0.453 70 Q N 0.247 120.022 119.800 -0.042 0.000 2.124 70 Q HA -0.132 4.207 4.340 -0.000 0.000 0.202 70 Q C 2.244 178.217 176.000 -0.046 0.000 0.977 70 Q CA 0.784 56.566 55.803 -0.035 0.000 0.850 70 Q CB 0.019 28.733 28.738 -0.040 0.000 0.901 70 Q HN 0.256 nan 8.270 nan 0.000 0.429 71 L N 0.260 121.435 121.223 -0.079 0.000 2.083 71 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 71 L C 2.400 179.243 176.870 -0.046 0.000 1.083 71 L CA 1.529 56.325 54.840 -0.073 0.000 0.752 71 L CB -1.394 40.609 42.059 -0.092 0.000 0.899 71 L HN 0.221 nan 8.230 nan 0.000 0.433 72 A N -0.581 122.217 122.820 -0.038 0.000 1.859 72 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 72 A C 2.118 179.687 177.584 -0.024 0.000 1.198 72 A CA 1.478 53.499 52.037 -0.026 0.000 0.629 72 A CB -0.533 18.456 19.000 -0.019 0.000 0.830 72 A HN 0.404 nan 8.150 nan 0.000 0.446 73 Q N -0.365 119.423 119.800 -0.020 0.000 2.173 73 Q HA -0.155 4.185 4.340 -0.000 0.000 0.208 73 Q C 2.316 178.301 176.000 -0.024 0.000 0.989 73 Q CA 1.675 57.467 55.803 -0.019 0.000 0.872 73 Q CB -0.981 27.754 28.738 -0.004 0.000 0.909 73 Q HN 0.496 nan 8.270 nan 0.000 0.420 74 V N 0.835 120.747 119.914 -0.004 0.000 2.358 74 V HA -0.228 3.891 4.120 -0.000 0.000 0.246 74 V C 2.319 178.433 176.094 0.034 0.000 1.047 74 V CA 1.707 64.027 62.300 0.033 0.000 1.035 74 V CB -0.958 30.876 31.823 0.018 0.000 0.658 74 V HN 0.355 nan 8.190 nan 0.000 0.452 75 A N -0.570 122.250 122.820 -0.001 0.000 1.969 75 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 75 A C 2.180 179.764 177.584 -0.001 0.000 1.169 75 A CA 1.549 53.587 52.037 0.002 0.000 0.635 75 A CB -0.362 18.619 19.000 -0.032 0.000 0.810 75 A HN 0.537 nan 8.150 nan 0.000 0.445 76 K N -1.322 119.054 120.400 -0.041 0.000 2.486 76 K HA 0.175 4.495 4.320 -0.000 0.000 0.194 76 K C 0.871 177.379 176.600 -0.154 0.000 1.033 76 K CA 0.460 56.712 56.287 -0.058 0.000 1.004 76 K CB -0.101 32.372 32.500 -0.045 0.000 0.798 76 K HN 0.667 nan 8.250 nan 0.000 0.495 77 G N 1.997 110.596 108.800 -0.334 0.000 2.171 77 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.238 77 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.238 77 G C 0.095 174.687 174.900 -0.514 0.000 1.039 77 G CA 0.148 44.689 45.100 -0.932 0.000 0.759 77 G HN 0.461 nan 8.290 nan 0.000 0.501 78 E N -0.858 119.195 120.200 -0.245 0.000 2.601 78 E HA 0.553 4.903 4.350 -0.000 0.000 0.219 78 E C 0.951 177.550 176.600 -0.002 0.000 0.964 78 E CA 0.516 56.861 56.400 -0.092 0.000 1.050 78 E CB 0.892 30.559 29.700 -0.054 0.000 1.068 78 E HN 0.876 nan 8.360 nan 0.000 0.496 79 A N 0.566 123.411 122.820 0.041 0.000 2.533 79 A HA 0.740 5.060 4.320 -0.000 0.000 0.293 79 A C -1.916 175.863 177.584 0.325 0.000 1.228 79 A CA -0.563 51.564 52.037 0.150 0.000 0.689 79 A CB 1.242 20.299 19.000 0.095 0.000 1.303 79 A HN 0.098 nan 8.150 nan 0.000 0.444 80 F N -0.723 119.300 119.950 0.123 0.000 2.576 80 F HA 0.690 5.217 4.527 -0.000 0.000 0.313 80 F C -1.289 174.555 175.800 0.073 0.000 1.078 80 F CA -0.983 57.097 58.000 0.133 0.000 0.921 80 F CB 2.102 41.175 39.000 0.123 0.000 1.232 80 F HN 0.513 nan 8.300 nan 0.000 0.459 81 L N 6.286 127.155 121.223 -0.589 0.000 2.305 81 L HA 0.622 4.962 4.340 -0.000 0.000 0.284 81 L C -1.826 174.839 176.870 -0.341 0.000 1.013 81 L CA -0.670 53.963 54.840 -0.345 0.000 0.819 81 L CB 1.256 43.120 42.059 -0.325 0.000 1.227 81 L HN 0.581 nan 8.230 nan 0.000 0.417 82 L N 5.003 126.174 121.223 -0.086 0.000 2.324 82 L HA 0.547 4.887 4.340 -0.000 0.000 0.274 82 L C -0.757 176.055 176.870 -0.096 0.000 1.012 82 L CA 0.087 54.905 54.840 -0.037 0.000 0.859 82 L CB 1.190 43.292 42.059 0.072 0.000 1.224 82 L HN 0.807 nan 8.230 nan 0.000 0.429 83 Q N 3.318 122.999 119.800 -0.197 0.000 2.322 83 Q HA 0.813 5.153 4.340 -0.000 0.000 0.265 83 Q C -0.728 175.015 176.000 -0.428 0.000 0.985 83 Q CA -0.485 55.133 55.803 -0.309 0.000 0.849 83 Q CB 1.817 30.301 28.738 -0.424 0.000 1.274 83 Q HN 0.915 nan 8.270 nan 0.000 0.449 84 G N 0.951 109.567 108.800 -0.307 0.000 2.519 84 G HA2 0.634 4.594 3.960 -0.000 0.000 0.292 84 G HA3 0.634 4.594 3.960 -0.000 0.000 0.292 84 G C -1.024 173.804 174.900 -0.120 0.000 1.507 84 G CA 0.031 44.988 45.100 -0.239 0.000 0.806 84 G HN 0.942 nan 8.290 nan 0.000 0.523 85 G N -0.385 108.367 108.800 -0.080 0.000 2.360 85 G HA2 0.433 4.393 3.960 -0.000 0.000 0.276 85 G HA3 0.433 4.393 3.960 -0.000 0.000 0.276 85 G C -1.633 173.268 174.900 0.002 0.000 1.256 85 G CA -0.558 44.524 45.100 -0.029 0.000 0.890 85 G HN 0.666 nan 8.290 nan 0.000 0.486 86 D N -0.264 120.161 120.400 0.040 0.000 2.449 86 D HA 0.172 4.812 4.640 -0.000 0.000 0.236 86 D C 1.560 177.905 176.300 0.075 0.000 1.149 86 D CA 0.386 54.427 54.000 0.069 0.000 0.878 86 D CB 1.622 42.488 40.800 0.110 0.000 1.198 86 D HN 0.570 nan 8.370 nan 0.000 0.446 87 C N 2.235 121.579 119.300 0.073 0.000 2.453 87 C HA 0.199 4.659 4.460 -0.000 0.000 0.277 87 C C 0.845 175.899 174.990 0.108 0.000 1.262 87 C CA 1.041 60.120 59.018 0.101 0.000 1.718 87 C CB -0.682 27.109 27.740 0.086 0.000 2.031 87 C HN 0.611 nan 8.230 nan 0.000 0.480 88 A N 0.634 123.494 122.820 0.067 0.000 2.611 88 A HA 0.515 4.835 4.320 -0.000 0.000 0.282 88 A C -0.643 176.936 177.584 -0.009 0.000 1.114 88 A CA -0.343 51.716 52.037 0.036 0.000 0.800 88 A CB 0.215 19.260 19.000 0.074 0.000 1.325 88 A HN 0.601 nan 8.150 nan 0.000 0.411 89 E N 1.585 121.716 120.200 -0.115 0.000 2.502 89 E HA 0.231 4.581 4.350 -0.000 0.000 0.261 89 E C 0.607 177.228 176.600 0.034 0.000 0.974 89 E CA 0.942 57.238 56.400 -0.173 0.000 0.936 89 E CB 0.596 29.919 29.700 -0.629 0.000 0.926 89 E HN 0.702 nan 8.360 nan 0.000 0.459 90 T N 0.054 114.655 114.554 0.079 0.000 2.885 90 T HA 0.266 4.616 4.350 -0.000 0.000 0.285 90 T C 0.667 175.530 174.700 0.272 0.000 1.019 90 T CA -0.829 61.341 62.100 0.116 0.000 1.010 90 T CB 0.578 69.438 68.868 -0.014 0.000 1.022 90 T HN 0.212 nan 8.240 nan 0.000 0.466 91 F N 1.211 121.223 119.950 0.105 0.000 2.202 91 F HA 0.051 4.578 4.527 -0.000 0.000 0.301 91 F C 2.331 178.128 175.800 -0.005 0.000 1.082 91 F CA 0.772 58.778 58.000 0.009 0.000 1.313 91 F CB -0.865 38.102 39.000 -0.054 0.000 1.024 91 F HN 0.607 nan 8.300 nan 0.000 0.495 92 M N -0.315 119.383 119.600 0.165 0.000 2.254 92 M HA -0.141 4.339 4.480 -0.000 0.000 0.265 92 M C 0.651 176.948 176.300 -0.006 0.000 1.066 92 M CA 1.612 56.946 55.300 0.056 0.000 1.123 92 M CB -0.110 32.492 32.600 0.003 0.000 1.388 92 M HN -0.157 nan 8.290 nan 0.000 0.425 93 D N -0.021 120.339 120.400 -0.068 0.000 2.340 93 D HA 0.031 4.671 4.640 -0.000 0.000 0.217 93 D C 0.102 176.293 176.300 -0.181 0.000 1.081 93 D CA 0.205 54.092 54.000 -0.189 0.000 0.842 93 D CB -0.515 40.009 40.800 -0.460 0.000 0.934 93 D HN 0.216 nan 8.370 nan 0.000 0.511 94 N N 1.405 120.089 118.700 -0.027 0.000 3.167 94 N HA -0.033 4.707 4.740 -0.000 0.000 0.318 94 N C -0.668 174.863 175.510 0.035 0.000 1.268 94 N CA 0.158 53.232 53.050 0.040 0.000 1.197 94 N CB -0.413 38.151 38.487 0.128 0.000 1.464 94 N HN 0.055 nan 8.380 nan 0.000 0.555 95 T N -3.415 111.166 114.554 0.046 0.000 2.930 95 T HA 0.275 4.625 4.350 -0.000 0.000 0.290 95 T C 0.947 175.690 174.700 0.072 0.000 1.052 95 T CA -0.803 61.327 62.100 0.051 0.000 1.017 95 T CB 1.870 70.765 68.868 0.045 0.000 1.137 95 T HN 0.043 nan 8.240 nan 0.000 0.511 96 E N 0.656 120.881 120.200 0.041 0.000 2.085 96 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 96 E C -0.875 175.745 176.600 0.033 0.000 0.994 96 E CA 1.646 58.066 56.400 0.032 0.000 0.801 96 E CB -1.272 28.438 29.700 0.016 0.000 0.743 96 E HN 0.504 nan 8.360 nan 0.000 0.453 97 P HA -0.087 nan 4.420 nan 0.000 0.216 97 P C 1.172 178.475 177.300 0.005 0.000 1.153 97 P CA 1.405 64.512 63.100 0.013 0.000 0.844 97 P CB -0.215 31.495 31.700 0.017 0.000 0.787 98 H N -0.430 118.624 119.070 -0.025 0.000 2.353 98 H HA -0.041 4.515 4.556 -0.000 0.000 0.300 98 H C 1.835 177.143 175.328 -0.032 0.000 1.090 98 H CA 1.545 57.576 56.048 -0.029 0.000 1.327 98 H CB -0.692 29.063 29.762 -0.013 0.000 1.383 98 H HN -0.022 nan 8.280 nan 0.000 0.508 99 I N -0.266 120.368 120.570 0.107 0.000 2.353 99 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 99 I C 2.582 178.683 176.117 -0.026 0.000 1.119 99 I CA 1.018 62.356 61.300 0.064 0.000 1.417 99 I CB -0.220 37.826 38.000 0.077 0.000 1.078 99 I HN 0.224 nan 8.210 nan 0.000 0.421 100 R N 1.029 121.507 120.500 -0.037 0.000 2.235 100 R HA -0.078 4.262 4.340 -0.000 0.000 0.213 100 R C 2.162 178.375 176.300 -0.143 0.000 1.059 100 R CA 1.107 57.168 56.100 -0.066 0.000 0.997 100 R CB -0.202 30.073 30.300 -0.041 0.000 0.884 100 R HN 0.388 nan 8.270 nan 0.000 0.462 101 G N 0.268 108.959 108.800 -0.183 0.000 2.394 101 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.214 101 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.214 101 G C 1.086 175.833 174.900 -0.255 0.000 1.176 101 G CA 0.358 45.305 45.100 -0.254 0.000 0.786 101 G HN 0.288 nan 8.290 nan 0.000 0.533 102 N N 0.173 118.731 118.700 -0.237 0.000 2.331 102 N HA -0.034 4.706 4.740 -0.000 0.000 0.180 102 N C 2.215 177.648 175.510 -0.128 0.000 1.019 102 N CA 0.548 53.489 53.050 -0.182 0.000 0.881 102 N CB -0.043 38.361 38.487 -0.139 0.000 0.972 102 N HN 0.203 nan 8.380 nan 0.000 0.435 103 V N 0.825 120.673 119.914 -0.111 0.000 2.302 103 V HA -0.074 4.046 4.120 -0.000 0.000 0.243 103 V C 2.484 178.518 176.094 -0.100 0.000 1.036 103 V CA 1.118 63.373 62.300 -0.075 0.000 1.020 103 V CB -0.357 31.439 31.823 -0.045 0.000 0.657 103 V HN 0.240 nan 8.190 nan 0.000 0.453 104 R N 0.170 120.563 120.500 -0.179 0.000 2.103 104 R HA -0.227 4.113 4.340 -0.000 0.000 0.242 104 R C 2.273 178.428 176.300 -0.242 0.000 1.142 104 R CA 1.891 57.809 56.100 -0.303 0.000 0.960 104 R CB -0.455 29.470 30.300 -0.624 0.000 0.858 104 R HN 0.518 nan 8.270 nan 0.000 0.439 105 A N 0.779 123.464 122.820 -0.225 0.000 1.873 105 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 105 A C 2.051 179.559 177.584 -0.126 0.000 1.186 105 A CA 1.070 52.994 52.037 -0.189 0.000 0.616 105 A CB -0.533 18.357 19.000 -0.183 0.000 0.823 105 A HN 0.347 nan 8.150 nan 0.000 0.442 106 L N -0.333 120.831 121.223 -0.099 0.000 2.093 106 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 106 L C 2.210 179.059 176.870 -0.036 0.000 1.085 106 L CA 1.480 56.281 54.840 -0.064 0.000 0.755 106 L CB -0.321 41.708 42.059 -0.050 0.000 0.904 106 L HN 0.397 nan 8.230 nan 0.000 0.435 107 L N -1.371 119.840 121.223 -0.020 0.000 2.109 107 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 107 L C 2.551 179.442 176.870 0.034 0.000 1.086 107 L CA 0.978 55.831 54.840 0.022 0.000 0.760 107 L CB -0.553 41.544 42.059 0.063 0.000 0.910 107 L HN 0.328 nan 8.230 nan 0.000 0.437 108 Q N -0.408 119.406 119.800 0.023 0.000 2.170 108 Q HA -0.200 4.140 4.340 -0.000 0.000 0.203 108 Q C 2.279 178.249 176.000 -0.050 0.000 0.976 108 Q CA 1.453 57.274 55.803 0.030 0.000 0.858 108 Q CB -0.115 28.625 28.738 0.003 0.000 0.907 108 Q HN 0.542 nan 8.270 nan 0.000 0.433 109 M N -0.528 119.027 119.600 -0.075 0.000 2.296 109 M HA -0.101 4.379 4.480 -0.000 0.000 0.265 109 M C 2.188 178.453 176.300 -0.059 0.000 1.064 109 M CA 1.130 56.371 55.300 -0.098 0.000 1.109 109 M CB -0.072 32.483 32.600 -0.075 0.000 1.396 109 M HN 0.217 nan 8.290 nan 0.000 0.430 110 A N 0.111 122.921 122.820 -0.017 0.000 1.929 110 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 110 A C 2.157 179.745 177.584 0.006 0.000 1.176 110 A CA 1.518 53.563 52.037 0.014 0.000 0.628 110 A CB -0.946 18.072 19.000 0.030 0.000 0.816 110 A HN 0.382 nan 8.150 nan 0.000 0.444 111 V N -2.140 117.774 119.914 0.000 0.000 2.307 111 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 111 V C 2.224 178.297 176.094 -0.035 0.000 1.045 111 V CA 1.939 64.235 62.300 -0.006 0.000 1.024 111 V CB -1.583 30.242 31.823 0.003 0.000 0.651 111 V HN 0.186 nan 8.190 nan 0.000 0.449 112 V N 0.558 120.410 119.914 -0.103 0.000 2.255 112 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 112 V C 2.680 178.716 176.094 -0.098 0.000 1.051 112 V CA 2.596 64.785 62.300 -0.185 0.000 1.018 112 V CB -0.695 30.828 31.823 -0.499 0.000 0.641 112 V HN 0.469 nan 8.190 nan 0.000 0.445 113 L N -0.433 120.725 121.223 -0.108 0.000 2.083 113 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 113 L C 2.606 179.427 176.870 -0.081 0.000 1.083 113 L CA 1.926 56.700 54.840 -0.111 0.000 0.752 113 L CB -0.889 41.132 42.059 -0.064 0.000 0.899 113 L HN 0.383 nan 8.230 nan 0.000 0.433 114 T N -1.608 112.940 114.554 -0.010 0.000 2.777 114 T HA -0.248 4.102 4.350 -0.000 0.000 0.266 114 T C 1.677 176.387 174.700 0.016 0.000 1.040 114 T CA 1.288 63.398 62.100 0.017 0.000 1.141 114 T CB -0.329 68.567 68.868 0.045 0.000 0.868 114 T HN 0.314 nan 8.240 nan 0.000 0.444 115 Y N 1.629 121.887 120.300 -0.069 0.000 2.373 115 Y HA 0.093 4.643 4.550 -0.000 0.000 0.293 115 Y C 2.350 178.215 175.900 -0.058 0.000 1.129 115 Y CA 0.830 58.895 58.100 -0.058 0.000 1.226 115 Y CB -0.500 37.919 38.460 -0.068 0.000 1.000 115 Y HN 0.188 nan 8.280 nan 0.000 0.549 116 G N -0.330 108.472 108.800 0.004 0.000 2.424 116 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.214 116 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.214 116 G C 1.723 176.533 174.900 -0.151 0.000 1.202 116 G CA 0.686 45.741 45.100 -0.074 0.000 0.793 116 G HN 0.476 nan 8.290 nan 0.000 0.534 117 A N -0.272 122.447 122.820 -0.167 0.000 2.119 117 A HA 0.358 4.678 4.320 -0.000 0.000 0.216 117 A C 1.695 179.228 177.584 -0.085 0.000 1.152 117 A CA 1.392 53.345 52.037 -0.140 0.000 0.708 117 A CB -0.283 18.610 19.000 -0.178 0.000 0.805 117 A HN 0.847 nan 8.150 nan 0.000 0.460 118 S N -1.397 114.228 115.700 -0.125 0.000 3.641 118 S HA -0.184 4.286 4.470 -0.000 0.000 0.346 118 S C -0.042 174.530 174.600 -0.047 0.000 1.074 118 S CA 1.394 59.517 58.200 -0.128 0.000 1.026 118 S CB -2.321 60.791 63.200 -0.147 0.000 0.908 118 S HN 1.350 nan 8.310 nan 0.000 0.479 119 M N -3.415 116.179 119.600 -0.011 0.000 2.694 119 M HA 0.634 5.114 4.480 -0.000 0.000 0.276 119 M C -3.461 172.877 176.300 0.063 0.000 1.167 119 M CA -2.228 53.092 55.300 0.032 0.000 0.849 119 M CB 1.050 33.684 32.600 0.056 0.000 1.705 119 M HN -0.210 nan 8.290 nan 0.000 0.504 120 P HA 0.223 nan 4.420 nan 0.000 0.267 120 P C -1.015 176.364 177.300 0.132 0.000 1.200 120 P CA -0.291 62.859 63.100 0.084 0.000 0.772 120 P CB 0.547 32.289 31.700 0.070 0.000 0.855 121 V N 3.972 123.965 119.914 0.132 0.000 2.459 121 V HA 0.198 4.317 4.120 -0.000 0.000 0.295 121 V C 0.233 176.404 176.094 0.128 0.000 1.029 121 V CA -0.735 61.673 62.300 0.180 0.000 0.874 121 V CB 2.068 34.001 31.823 0.184 0.000 0.985 121 V HN 0.237 nan 8.190 nan 0.000 0.438 122 V N 5.554 125.533 119.914 0.109 0.000 2.498 122 V HA 0.317 4.437 4.120 -0.000 0.000 0.279 122 V C 0.158 176.304 176.094 0.087 0.000 1.048 122 V CA -0.613 61.741 62.300 0.091 0.000 0.967 122 V CB 1.437 33.279 31.823 0.032 0.000 0.988 122 V HN 0.821 nan 8.190 nan 0.000 0.473 123 K N 4.160 124.637 120.400 0.128 0.000 2.347 123 K HA 0.569 4.889 4.320 -0.000 0.000 0.262 123 K C -1.193 175.485 176.600 0.130 0.000 1.052 123 K CA -0.326 56.016 56.287 0.092 0.000 0.946 123 K CB 1.537 34.073 32.500 0.059 0.000 1.220 123 K HN 0.449 nan 8.250 nan 0.000 0.450 124 V N 2.530 122.488 119.914 0.073 0.000 2.350 124 V HA 0.468 4.588 4.120 -0.000 0.000 0.285 124 V C -0.089 176.027 176.094 0.037 0.000 1.014 124 V CA -1.035 61.323 62.300 0.097 0.000 0.831 124 V CB 1.275 33.140 31.823 0.069 0.000 1.000 124 V HN 0.814 nan 8.190 nan 0.000 0.433 125 A N 5.116 127.981 122.820 0.076 0.000 2.310 125 A HA 0.651 4.971 4.320 -0.000 0.000 0.299 125 A C 0.338 177.978 177.584 0.094 0.000 1.147 125 A CA -0.673 51.391 52.037 0.044 0.000 0.818 125 A CB 0.419 19.445 19.000 0.044 0.000 1.096 125 A HN 0.826 nan 8.150 nan 0.000 0.495 126 R N 1.063 121.603 120.500 0.067 0.000 2.357 126 R HA 0.491 4.831 4.340 -0.000 0.000 0.330 126 R C -0.758 175.607 176.300 0.109 0.000 1.102 126 R CA 0.510 56.704 56.100 0.157 0.000 0.974 126 R CB -0.218 30.177 30.300 0.158 0.000 1.002 126 R HN 0.690 nan 8.270 nan 0.000 0.463 127 I N -0.129 120.512 120.570 0.119 0.000 2.890 127 I HA 0.228 4.398 4.170 -0.000 0.000 0.301 127 I C -0.969 175.185 176.117 0.062 0.000 1.579 127 I CA -0.235 61.095 61.300 0.051 0.000 0.959 127 I CB 1.696 39.738 38.000 0.069 0.000 1.368 127 I HN 0.661 nan 8.210 nan 0.000 0.536 128 A N 3.634 126.460 122.820 0.010 0.000 2.846 128 A HA 0.174 4.493 4.320 -0.000 0.000 0.287 128 A C 0.875 178.491 177.584 0.053 0.000 1.469 128 A CA 1.463 53.541 52.037 0.069 0.000 0.757 128 A CB -2.263 16.804 19.000 0.112 0.000 1.033 128 A HN 2.486 nan 8.150 nan 0.000 0.516 129 G N -2.014 106.681 108.800 -0.175 0.000 2.407 129 G HA2 0.211 4.171 3.960 -0.000 0.000 0.210 129 G HA3 0.211 4.171 3.960 -0.000 0.000 0.210 129 G C -0.093 174.458 174.900 -0.581 0.000 1.015 129 G CA 0.663 45.566 45.100 -0.327 0.000 0.807 129 G HN 1.592 nan 8.290 nan 0.000 0.539 130 Q N 0.754 120.259 119.800 -0.492 0.000 3.254 130 Q HA 0.524 4.864 4.340 -0.000 0.000 0.315 130 Q C 0.227 176.003 176.000 -0.373 0.000 1.405 130 Q CA -0.374 55.265 55.803 -0.274 0.000 0.966 130 Q CB -0.769 27.936 28.738 -0.053 0.000 1.706 130 Q HN 0.630 nan 8.270 nan 0.000 0.525 131 Y N -0.486 119.702 120.300 -0.186 0.000 2.531 131 Y HA 0.560 5.110 4.550 -0.000 0.000 0.249 131 Y C 0.287 176.035 175.900 -0.252 0.000 1.168 131 Y CA -0.289 57.677 58.100 -0.224 0.000 1.226 131 Y CB 1.148 39.456 38.460 -0.253 0.000 1.177 131 Y HN 0.390 nan 8.280 nan 0.000 0.527 132 A N 1.544 124.305 122.820 -0.098 0.000 2.414 132 A HA 0.589 4.908 4.320 -0.000 0.000 0.286 132 A C -0.924 176.574 177.584 -0.144 0.000 1.073 132 A CA -0.875 51.072 52.037 -0.151 0.000 0.727 132 A CB 0.725 19.645 19.000 -0.134 0.000 1.215 132 A HN 0.265 nan 8.150 nan 0.000 0.430 133 K N 2.657 122.953 120.400 -0.173 0.000 2.208 133 K HA 0.864 5.184 4.320 -0.000 0.000 0.247 133 K C -2.986 173.534 176.600 -0.133 0.000 0.953 133 K CA -1.942 54.271 56.287 -0.122 0.000 0.837 133 K CB 2.454 34.909 32.500 -0.075 0.000 1.131 133 K HN 0.357 nan 8.250 nan 0.000 0.431 134 P HA 0.354 nan 4.420 nan 0.000 0.282 134 P C -1.087 176.181 177.300 -0.053 0.000 1.259 134 P CA -0.745 62.304 63.100 -0.085 0.000 0.826 134 P CB 1.044 32.693 31.700 -0.086 0.000 1.064 135 R N 0.320 120.795 120.500 -0.041 0.000 2.740 135 R HA 0.389 4.729 4.340 -0.000 0.000 0.273 135 R C 0.886 177.181 176.300 -0.009 0.000 0.998 135 R CA -0.711 55.380 56.100 -0.016 0.000 0.900 135 R CB 1.466 31.758 30.300 -0.013 0.000 1.223 135 R HN 0.402 nan 8.270 nan 0.000 0.466 136 S N 0.649 116.351 115.700 0.004 0.000 2.327 136 S HA 0.097 4.567 4.470 -0.000 0.000 0.213 136 S C 0.712 175.314 174.600 0.003 0.000 1.032 136 S CA 0.901 59.104 58.200 0.005 0.000 0.960 136 S CB 0.085 63.293 63.200 0.013 0.000 0.900 136 S HN 0.705 nan 8.310 nan 0.000 0.469 137 A N 1.464 124.288 122.820 0.007 0.000 2.327 137 A HA 0.378 4.698 4.320 -0.000 0.000 0.283 137 A C 0.728 178.314 177.584 0.002 0.000 1.127 137 A CA -0.406 51.633 52.037 0.004 0.000 0.810 137 A CB 0.323 19.327 19.000 0.006 0.000 1.066 137 A HN 0.254 nan 8.150 nan 0.000 0.492 138 D N 0.889 121.287 120.400 -0.003 0.000 2.194 138 D HA -0.033 4.607 4.640 -0.000 0.000 0.204 138 D C 0.450 176.749 176.300 -0.002 0.000 0.964 138 D CA 0.965 54.963 54.000 -0.004 0.000 0.846 138 D CB 0.084 40.873 40.800 -0.018 0.000 0.962 138 D HN 0.371 nan 8.370 nan 0.000 0.490 139 I N 1.970 122.537 120.570 -0.005 0.000 2.428 139 I HA 0.194 4.364 4.170 -0.000 0.000 0.296 139 I C 0.480 176.596 176.117 -0.002 0.000 0.985 139 I CA -0.698 60.599 61.300 -0.006 0.000 1.260 139 I CB 1.331 39.325 38.000 -0.011 0.000 1.389 139 I HN 0.027 nan 8.210 nan 0.000 0.484 140 D N 4.343 124.741 120.400 -0.004 0.000 2.616 140 D HA 0.377 5.017 4.640 -0.000 0.000 0.260 140 D C 0.756 177.048 176.300 -0.013 0.000 1.158 140 D CA -0.592 53.406 54.000 -0.003 0.000 1.085 140 D CB 0.616 41.416 40.800 -0.002 0.000 1.222 140 D HN 0.404 nan 8.370 nan 0.000 0.626 141 A N -0.764 122.046 122.820 -0.016 0.000 2.131 141 A HA -0.023 4.297 4.320 -0.000 0.000 0.220 141 A C 2.010 179.576 177.584 -0.031 0.000 1.158 141 A CA 0.972 52.995 52.037 -0.023 0.000 0.665 141 A CB -0.728 18.256 19.000 -0.028 0.000 0.795 141 A HN 0.517 nan 8.150 nan 0.000 0.460 142 L N -2.208 118.993 121.223 -0.037 0.000 2.693 142 L HA 0.269 4.609 4.340 -0.000 0.000 0.235 142 L C 1.473 178.323 176.870 -0.032 0.000 1.127 142 L CA 0.556 55.372 54.840 -0.040 0.000 0.914 142 L CB 0.091 42.117 42.059 -0.056 0.000 1.193 142 L HN 0.548 nan 8.230 nan 0.000 0.502 143 G N 1.024 109.808 108.800 -0.026 0.000 2.131 143 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.223 143 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.223 143 G C -0.163 174.724 174.900 -0.021 0.000 0.990 143 G CA -0.222 44.865 45.100 -0.021 0.000 0.671 143 G HN 0.181 nan 8.290 nan 0.000 0.521 144 L N -0.055 121.153 121.223 -0.025 0.000 2.334 144 L HA 0.628 4.968 4.340 -0.000 0.000 0.270 144 L C 1.261 178.125 176.870 -0.010 0.000 1.018 144 L CA -1.298 53.529 54.840 -0.022 0.000 0.811 144 L CB 1.054 43.092 42.059 -0.036 0.000 1.271 144 L HN 0.100 nan 8.230 nan 0.000 0.443 145 R N 0.947 121.447 120.500 -0.001 0.000 2.538 145 R HA 0.076 4.416 4.340 -0.000 0.000 0.282 145 R C -0.125 176.200 176.300 0.041 0.000 1.009 145 R CA -0.190 55.919 56.100 0.015 0.000 1.063 145 R CB 0.189 30.499 30.300 0.016 0.000 0.945 145 R HN 0.550 nan 8.270 nan 0.000 0.414 146 S N 2.205 117.932 115.700 0.045 0.000 2.563 146 S HA -0.107 4.363 4.470 -0.000 0.000 0.284 146 S C -0.329 174.333 174.600 0.104 0.000 1.331 146 S CA -0.233 58.002 58.200 0.058 0.000 1.047 146 S CB 0.210 63.431 63.200 0.036 0.000 0.859 146 S HN 0.456 nan 8.310 nan 0.000 0.514 147 Y N 2.494 122.777 120.300 -0.029 0.000 2.359 147 Y HA 0.266 4.815 4.550 -0.000 0.000 0.334 147 Y C 1.040 176.931 175.900 -0.014 0.000 1.058 147 Y CA -0.208 57.875 58.100 -0.028 0.000 1.244 147 Y CB 0.306 38.735 38.460 -0.052 0.000 1.187 147 Y HN 0.596 nan 8.280 nan 0.000 0.510 148 R N 4.477 124.653 120.500 -0.540 0.000 2.629 148 R HA 0.311 4.651 4.340 -0.000 0.000 0.386 148 R C -0.299 175.606 176.300 -0.657 0.000 1.071 148 R CA 0.188 55.988 56.100 -0.500 0.000 1.104 148 R CB 0.619 30.733 30.300 -0.311 0.000 1.370 148 R HN 0.992 nan 8.270 nan 0.000 0.574 149 G N 0.897 108.933 108.800 -1.273 0.000 2.650 149 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.686 149 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.686 149 G C -0.349 174.329 174.900 -0.370 0.000 1.205 149 G CA -0.820 43.831 45.100 -0.748 0.000 0.781 149 G HN 0.101 nan 8.290 nan 0.000 0.648 150 D N 0.319 120.609 120.400 -0.183 0.000 2.265 150 D HA -0.113 4.527 4.640 -0.000 0.000 0.208 150 D C 2.393 178.413 176.300 -0.467 0.000 0.977 150 D CA 1.368 55.122 54.000 -0.411 0.000 0.871 150 D CB -0.011 40.120 40.800 -1.115 0.000 0.925 150 D HN 0.522 nan 8.370 nan 0.000 0.485 151 M N -0.473 118.938 119.600 -0.314 0.000 2.374 151 M HA -0.077 4.403 4.480 -0.000 0.000 0.264 151 M C 1.346 177.674 176.300 0.047 0.000 1.067 151 M CA 1.239 56.472 55.300 -0.110 0.000 1.103 151 M CB 0.260 32.791 32.600 -0.114 0.000 1.402 151 M HN -0.031 nan 8.290 nan 0.000 0.444 152 I N -0.516 120.035 120.570 -0.031 0.000 3.136 152 I HA 0.044 4.214 4.170 -0.000 0.000 0.262 152 I C 0.536 176.665 176.117 0.019 0.000 1.132 152 I CA 0.006 61.298 61.300 -0.014 0.000 1.450 152 I CB 0.071 37.844 38.000 -0.378 0.000 1.315 152 I HN 0.360 nan 8.210 nan 0.000 0.460 153 N N 0.513 119.213 118.700 0.000 0.000 3.387 153 N HA 0.397 5.137 4.740 -0.000 0.000 0.322 153 N C -0.526 175.137 175.510 0.255 0.000 1.588 153 N CA -0.444 52.689 53.050 0.137 0.000 0.778 153 N CB 0.470 39.060 38.487 0.171 0.000 1.883 153 N HN -0.019 nan 8.380 nan 0.000 0.628 154 G N -1.603 107.348 108.800 0.253 0.000 2.432 154 G HA2 0.434 4.394 3.960 -0.000 0.000 0.331 154 G HA3 0.434 4.394 3.960 -0.000 0.000 0.331 154 G C -0.539 174.322 174.900 -0.065 0.000 1.170 154 G CA -0.781 44.418 45.100 0.165 0.000 0.943 154 G HN 0.472 nan 8.290 nan 0.000 0.483 155 F N 2.638 122.252 119.950 -0.560 0.000 2.186 155 F HA 0.251 4.778 4.527 -0.000 0.000 0.299 155 F C 2.052 177.650 175.800 -0.336 0.000 1.090 155 F CA 0.837 58.327 58.000 -0.849 0.000 1.307 155 F CB -0.028 38.513 39.000 -0.765 0.000 1.019 155 F HN 0.535 nan 8.300 nan 0.000 0.489 156 A N 2.420 125.216 122.820 -0.039 0.000 2.608 156 A HA -0.018 4.302 4.320 -0.000 0.000 0.239 156 A C -2.115 175.360 177.584 -0.182 0.000 1.018 156 A CA -0.335 51.683 52.037 -0.032 0.000 0.766 156 A CB -1.045 17.970 19.000 0.025 0.000 0.928 156 A HN 0.301 nan 8.150 nan 0.000 0.512 157 P HA 0.195 nan 4.420 nan 0.000 0.231 157 P C -1.260 175.989 177.300 -0.085 0.000 1.811 157 P CA 0.083 63.076 63.100 -0.178 0.000 1.051 157 P CB -0.208 31.395 31.700 -0.162 0.000 1.951 158 D N 0.135 120.497 120.400 -0.062 0.000 2.655 158 D HA 0.209 4.849 4.640 -0.000 0.000 0.229 158 D C 0.556 176.848 176.300 -0.014 0.000 1.229 158 D CA -0.946 53.036 54.000 -0.029 0.000 0.807 158 D CB 1.243 42.036 40.800 -0.013 0.000 1.514 158 D HN -0.039 nan 8.370 nan 0.000 0.444 159 A N 1.338 124.154 122.820 -0.007 0.000 1.940 159 A HA 0.021 4.341 4.320 -0.000 0.000 0.219 159 A C 2.139 179.734 177.584 0.018 0.000 1.176 159 A CA 2.612 54.651 52.037 0.004 0.000 0.631 159 A CB -0.904 18.096 19.000 -0.000 0.000 0.814 159 A HN 0.783 nan 8.150 nan 0.000 0.446 160 A N 0.011 122.841 122.820 0.017 0.000 1.873 160 A HA 0.067 4.387 4.320 -0.000 0.000 0.218 160 A C 2.512 180.121 177.584 0.042 0.000 1.193 160 A CA 2.419 54.472 52.037 0.026 0.000 0.629 160 A CB -1.164 17.849 19.000 0.021 0.000 0.826 160 A HN 1.206 nan 8.150 nan 0.000 0.447 161 A N -1.268 121.574 122.820 0.038 0.000 2.067 161 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 161 A C 2.002 179.637 177.584 0.084 0.000 1.158 161 A CA 1.159 53.228 52.037 0.054 0.000 0.661 161 A CB -0.310 18.709 19.000 0.033 0.000 0.801 161 A HN 0.385 nan 8.150 nan 0.000 0.452 162 R N 0.487 121.035 120.500 0.080 0.000 2.310 162 R HA 0.110 4.450 4.340 -0.000 0.000 0.202 162 R C -0.350 176.056 176.300 0.177 0.000 0.933 162 R CA 0.024 56.199 56.100 0.124 0.000 1.054 162 R CB -0.131 30.218 30.300 0.082 0.000 0.985 162 R HN 0.447 nan 8.270 nan 0.000 0.489 163 E N 1.586 121.870 120.200 0.140 0.000 2.366 163 E HA 0.004 4.354 4.350 -0.000 0.000 0.266 163 E C -0.256 176.511 176.600 0.278 0.000 1.015 163 E CA 0.159 56.651 56.400 0.153 0.000 0.906 163 E CB 0.339 30.097 29.700 0.096 0.000 0.979 163 E HN 0.264 nan 8.360 nan 0.000 0.443 164 H N 2.279 121.430 119.070 0.135 0.000 3.004 164 H HA -0.011 4.544 4.556 -0.000 0.000 0.316 164 H C -0.242 175.312 175.328 0.378 0.000 1.014 164 H CA 0.008 56.208 56.048 0.253 0.000 1.454 164 H CB 0.682 30.546 29.762 0.169 0.000 1.472 164 H HN 0.255 nan 8.280 nan 0.000 0.571 165 D N 4.967 125.641 120.400 0.457 0.000 2.481 165 D HA 0.170 4.809 4.640 -0.000 0.000 0.246 165 D C -1.939 174.245 176.300 -0.194 0.000 1.109 165 D CA -2.611 51.485 54.000 0.160 0.000 0.845 165 D CB 1.867 42.715 40.800 0.080 0.000 1.160 165 D HN 0.185 nan 8.370 nan 0.000 0.534 166 P HA -0.153 nan 4.420 nan 0.000 0.218 166 P C 1.424 178.374 177.300 -0.584 0.000 1.148 166 P CA 1.151 63.577 63.100 -1.124 0.000 0.822 166 P CB 0.154 31.336 31.700 -0.862 0.000 0.784 167 S N 0.101 115.597 115.700 -0.341 0.000 2.402 167 S HA -0.227 4.243 4.470 -0.000 0.000 0.233 167 S C 1.913 176.398 174.600 -0.191 0.000 1.030 167 S CA 1.099 59.149 58.200 -0.251 0.000 1.003 167 S CB -1.084 61.993 63.200 -0.205 0.000 0.813 167 S HN 0.121 nan 8.310 nan 0.000 0.477 168 R N 0.574 120.995 120.500 -0.131 0.000 2.341 168 R HA 0.194 4.534 4.340 -0.000 0.000 0.213 168 R C 2.023 178.337 176.300 0.024 0.000 1.082 168 R CA 0.897 57.011 56.100 0.024 0.000 1.017 168 R CB -0.546 29.819 30.300 0.109 0.000 0.860 168 R HN 0.476 nan 8.270 nan 0.000 0.473 169 L N -0.474 120.706 121.223 -0.072 0.000 2.027 169 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 169 L C 2.165 179.101 176.870 0.110 0.000 1.074 169 L CA 1.072 55.936 54.840 0.040 0.000 0.745 169 L CB -0.366 41.697 42.059 0.005 0.000 0.898 169 L HN 0.019 nan 8.230 nan 0.000 0.433 170 V N -0.305 119.612 119.914 0.006 0.000 2.323 170 V HA -0.240 3.880 4.120 -0.000 0.000 0.244 170 V C 2.594 178.723 176.094 0.059 0.000 1.041 170 V CA 1.677 63.999 62.300 0.036 0.000 1.025 170 V CB -0.638 31.120 31.823 -0.108 0.000 0.656 170 V HN 0.419 nan 8.190 nan 0.000 0.451 171 R N 0.436 120.887 120.500 -0.081 0.000 2.105 171 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 171 R C 2.212 178.276 176.300 -0.392 0.000 1.135 171 R CA 1.697 57.665 56.100 -0.220 0.000 0.967 171 R CB -0.419 29.712 30.300 -0.281 0.000 0.861 171 R HN 0.501 nan 8.270 nan 0.000 0.442 172 A N -0.141 122.626 122.820 -0.088 0.000 1.898 172 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 172 A C 1.987 179.572 177.584 0.002 0.000 1.181 172 A CA 1.300 53.285 52.037 -0.085 0.000 0.620 172 A CB -0.825 18.102 19.000 -0.123 0.000 0.819 172 A HN 0.629 nan 8.150 nan 0.000 0.442 173 Y N 0.677 121.034 120.300 0.096 0.000 2.163 173 Y HA -0.040 4.510 4.550 -0.000 0.000 0.288 173 Y C 2.606 178.574 175.900 0.114 0.000 1.136 173 Y CA 1.260 59.488 58.100 0.213 0.000 1.147 173 Y CB -0.655 37.955 38.460 0.251 0.000 0.987 173 Y HN 0.301 nan 8.280 nan 0.000 0.509 174 A N 1.071 123.912 122.820 0.035 0.000 1.903 174 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 174 A C 2.166 179.630 177.584 -0.201 0.000 1.191 174 A CA 2.254 54.249 52.037 -0.069 0.000 0.638 174 A CB -0.989 18.121 19.000 0.184 0.000 0.823 174 A HN 0.683 nan 8.150 nan 0.000 0.451 175 N N -0.128 118.454 118.700 -0.196 0.000 2.171 175 N HA -0.072 4.667 4.740 -0.000 0.000 0.184 175 N C 2.031 177.548 175.510 0.010 0.000 1.021 175 N CA 1.379 54.353 53.050 -0.127 0.000 0.854 175 N CB -0.432 37.924 38.487 -0.218 0.000 0.994 175 N HN 0.477 nan 8.380 nan 0.000 0.426 176 A N 1.250 124.109 122.820 0.066 0.000 1.877 176 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 176 A C 2.398 179.960 177.584 -0.036 0.000 1.186 176 A CA 2.164 54.281 52.037 0.132 0.000 0.620 176 A CB -0.697 18.431 19.000 0.212 0.000 0.822 176 A HN 0.454 nan 8.150 nan 0.000 0.443 177 S N -0.149 115.399 115.700 -0.254 0.000 2.453 177 S HA 0.214 4.683 4.470 -0.000 0.000 0.231 177 S C 1.925 176.442 174.600 -0.138 0.000 1.005 177 S CA 0.953 58.999 58.200 -0.256 0.000 0.949 177 S CB -0.329 62.544 63.200 -0.544 0.000 0.774 177 S HN 0.792 nan 8.310 nan 0.000 0.510 178 A N 1.749 124.493 122.820 -0.127 0.000 1.935 178 A HA 0.556 4.875 4.320 -0.000 0.000 0.214 178 A C 2.405 179.973 177.584 -0.026 0.000 1.178 178 A CA 1.027 53.018 52.037 -0.077 0.000 0.640 178 A CB -1.129 17.817 19.000 -0.090 0.000 0.825 178 A HN 0.664 nan 8.150 nan 0.000 0.447 179 A N -0.887 121.936 122.820 0.004 0.000 1.969 179 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 179 A C 2.101 179.703 177.584 0.031 0.000 1.169 179 A CA 2.007 54.066 52.037 0.036 0.000 0.635 179 A CB -0.415 18.630 19.000 0.076 0.000 0.810 179 A HN 0.514 nan 8.150 nan 0.000 0.445 180 M N 0.084 119.698 119.600 0.023 0.000 2.419 180 M HA 0.009 4.489 4.480 -0.000 0.000 0.264 180 M C 1.495 177.809 176.300 0.023 0.000 1.082 180 M CA 1.653 56.975 55.300 0.036 0.000 1.119 180 M CB -0.611 32.013 32.600 0.041 0.000 1.398 180 M HN 0.467 nan 8.290 nan 0.000 0.453 181 N N -0.347 118.356 118.700 0.004 0.000 2.216 181 N HA -0.128 4.612 4.740 -0.000 0.000 0.183 181 N C 1.454 176.966 175.510 0.004 0.000 1.017 181 N CA 1.102 54.153 53.050 0.001 0.000 0.861 181 N CB -0.169 38.311 38.487 -0.013 0.000 0.986 181 N HN 0.382 nan 8.380 nan 0.000 0.428 182 L N 0.036 121.263 121.223 0.006 0.000 2.072 182 L HA 0.049 4.389 4.340 -0.000 0.000 0.205 182 L C 2.189 179.066 176.870 0.012 0.000 1.079 182 L CA 1.185 56.030 54.840 0.008 0.000 0.752 182 L CB -0.952 41.115 42.059 0.013 0.000 0.906 182 L HN 0.169 nan 8.230 nan 0.000 0.436 183 V N -0.424 119.500 119.914 0.017 0.000 2.407 183 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 183 V C 2.712 178.809 176.094 0.004 0.000 1.055 183 V CA 1.857 64.166 62.300 0.015 0.000 1.049 183 V CB -0.353 31.487 31.823 0.028 0.000 0.662 183 V HN 0.562 nan 8.190 nan 0.000 0.455 184 R N 0.180 120.685 120.500 0.007 0.000 2.075 184 R HA -0.007 4.333 4.340 -0.000 0.000 0.232 184 R C 2.465 178.762 176.300 -0.005 0.000 1.126 184 R CA 1.536 57.634 56.100 -0.003 0.000 0.963 184 R CB -0.659 29.645 30.300 0.005 0.000 0.858 184 R HN 0.619 nan 8.270 nan 0.000 0.435 185 A N 0.903 123.724 122.820 0.001 0.000 1.898 185 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 185 A C 2.120 179.706 177.584 0.004 0.000 1.181 185 A CA 1.015 53.053 52.037 0.002 0.000 0.620 185 A CB -0.429 18.573 19.000 0.003 0.000 0.819 185 A HN 0.160 nan 8.150 nan 0.000 0.442 186 L N -0.167 121.060 121.223 0.007 0.000 2.027 186 L HA -0.149 4.191 4.340 -0.000 0.000 0.206 186 L C 3.054 179.931 176.870 0.011 0.000 1.074 186 L CA 1.951 56.799 54.840 0.014 0.000 0.745 186 L CB -0.983 41.085 42.059 0.015 0.000 0.898 186 L HN 0.654 nan 8.230 nan 0.000 0.433 187 T N -3.714 110.839 114.554 -0.003 0.000 2.915 187 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 187 T C 1.839 176.529 174.700 -0.017 0.000 1.071 187 T CA 1.212 63.304 62.100 -0.013 0.000 1.132 187 T CB -0.301 68.544 68.868 -0.037 0.000 0.878 187 T HN 0.408 nan 8.240 nan 0.000 0.479 188 S N 1.034 116.725 115.700 -0.015 0.000 2.524 188 S HA 0.194 4.663 4.470 -0.000 0.000 0.216 188 S C 1.321 175.916 174.600 -0.008 0.000 0.987 188 S CA 0.061 58.251 58.200 -0.015 0.000 0.909 188 S CB -0.391 62.800 63.200 -0.016 0.000 0.781 188 S HN 0.767 nan 8.310 nan 0.000 0.521 189 S N 0.944 116.643 115.700 -0.001 0.000 2.625 189 S HA 0.512 4.982 4.470 -0.000 0.000 0.258 189 S C 1.390 175.990 174.600 -0.000 0.000 1.256 189 S CA 0.069 58.271 58.200 0.003 0.000 0.983 189 S CB -0.080 63.129 63.200 0.014 0.000 1.032 189 S HN 0.407 nan 8.310 nan 0.000 0.572 190 G N -0.491 108.309 108.800 0.001 0.000 2.848 190 G HA2 0.084 4.044 3.960 -0.000 0.000 0.208 190 G HA3 0.084 4.044 3.960 -0.000 0.000 0.208 190 G C 0.987 175.887 174.900 -0.001 0.000 1.152 190 G CA 0.277 45.369 45.100 -0.014 0.000 0.789 190 G HN 0.631 nan 8.290 nan 0.000 0.531 191 L N 0.810 122.056 121.223 0.040 0.000 2.265 191 L HA 0.233 4.573 4.340 -0.000 0.000 0.215 191 L C 2.297 179.234 176.870 0.112 0.000 1.117 191 L CA 1.731 56.636 54.840 0.109 0.000 0.782 191 L CB -0.063 42.063 42.059 0.111 0.000 0.914 191 L HN 0.149 nan 8.230 nan 0.000 0.441 192 A N -1.461 121.382 122.820 0.038 0.000 2.535 192 A HA 0.315 4.635 4.320 -0.000 0.000 0.273 192 A C 0.968 178.528 177.584 -0.040 0.000 1.267 192 A CA 0.333 52.383 52.037 0.022 0.000 0.940 192 A CB -0.610 18.394 19.000 0.006 0.000 1.101 192 A HN 0.436 nan 8.150 nan 0.000 0.521 193 S N -0.260 115.381 115.700 -0.100 0.000 2.549 193 S HA 0.191 4.661 4.470 -0.000 0.000 0.286 193 S C 1.071 175.516 174.600 -0.259 0.000 1.314 193 S CA -0.346 57.712 58.200 -0.237 0.000 1.062 193 S CB 0.543 63.530 63.200 -0.355 0.000 0.865 193 S HN 0.387 nan 8.310 nan 0.000 0.498 194 L N 3.369 124.427 121.223 -0.276 0.000 2.127 194 L HA -0.116 4.223 4.340 -0.000 0.000 0.211 194 L C 2.436 179.254 176.870 -0.087 0.000 1.089 194 L CA 2.140 56.900 54.840 -0.133 0.000 0.757 194 L CB -1.218 40.804 42.059 -0.062 0.000 0.899 194 L HN 1.004 nan 8.230 nan 0.000 0.434 195 H N -3.014 116.052 119.070 -0.006 0.000 2.547 195 H HA 0.057 4.612 4.556 -0.000 0.000 0.272 195 H C 1.988 177.263 175.328 -0.089 0.000 0.971 195 H CA 0.108 56.151 56.048 -0.008 0.000 1.245 195 H CB -0.226 29.529 29.762 -0.011 0.000 1.440 195 H HN 0.244 nan 8.280 nan 0.000 0.540 196 L N 2.193 123.333 121.223 -0.139 0.000 2.275 196 L HA -0.028 4.312 4.340 -0.000 0.000 0.215 196 L C 1.880 178.404 176.870 -0.575 0.000 1.119 196 L CA 0.769 55.414 54.840 -0.325 0.000 0.790 196 L CB -0.539 41.332 42.059 -0.314 0.000 0.919 196 L HN 0.129 nan 8.230 nan 0.000 0.443 197 V N -1.028 118.763 119.914 -0.206 0.000 2.535 197 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 197 V C 2.270 178.486 176.094 0.202 0.000 1.045 197 V CA 1.237 63.598 62.300 0.102 0.000 1.058 197 V CB -0.576 31.372 31.823 0.209 0.000 0.689 197 V HN 0.484 nan 8.190 nan 0.000 0.461 198 H N 0.120 119.208 119.070 0.030 0.000 2.548 198 H HA -0.002 4.554 4.556 -0.000 0.000 0.268 198 H C 1.859 177.220 175.328 0.055 0.000 0.975 198 H CA 0.723 56.814 56.048 0.071 0.000 1.195 198 H CB -0.026 29.768 29.762 0.054 0.000 1.397 198 H HN 0.350 nan 8.280 nan 0.000 0.572 199 D N -0.241 120.111 120.400 -0.079 0.000 2.097 199 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 199 D C 1.754 178.016 176.300 -0.063 0.000 0.989 199 D CA 0.825 54.734 54.000 -0.152 0.000 0.827 199 D CB -0.320 40.317 40.800 -0.272 0.000 0.966 199 D HN 0.463 nan 8.370 nan 0.000 0.456 200 W N 1.533 122.835 121.300 0.004 0.000 2.342 200 W HA -0.100 4.560 4.660 -0.000 0.000 0.297 200 W C 2.025 178.574 176.519 0.050 0.000 1.213 200 W CA 0.592 57.952 57.345 0.024 0.000 1.251 200 W CB -1.030 28.443 29.460 0.022 0.000 1.136 200 W HN 0.060 nan 8.180 nan 0.000 0.526 201 N N -0.133 118.701 118.700 0.223 0.000 2.188 201 N HA -0.112 4.628 4.740 -0.000 0.000 0.184 201 N C 1.793 177.403 175.510 0.167 0.000 1.018 201 N CA 1.123 54.303 53.050 0.217 0.000 0.858 201 N CB -0.701 37.853 38.487 0.110 0.000 0.989 201 N HN 0.177 nan 8.380 nan 0.000 0.426 202 R N 0.355 120.816 120.500 -0.065 0.000 2.189 202 R HA -0.044 4.295 4.340 -0.000 0.000 0.218 202 R C 1.687 178.000 176.300 0.021 0.000 1.074 202 R CA 0.616 56.687 56.100 -0.049 0.000 0.991 202 R CB 0.080 30.312 30.300 -0.112 0.000 0.883 202 R HN 0.183 nan 8.270 nan 0.000 0.457 203 E N 0.715 120.967 120.200 0.087 0.000 2.015 203 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 203 E C 1.511 178.199 176.600 0.148 0.000 0.991 203 E CA 1.283 57.756 56.400 0.121 0.000 0.802 203 E CB -0.415 29.403 29.700 0.197 0.000 0.759 203 E HN 0.208 nan 8.360 nan 0.000 0.447 204 F N 0.504 120.505 119.950 0.085 0.000 2.147 204 F HA -0.196 4.331 4.527 -0.000 0.000 0.301 204 F C 1.859 177.694 175.800 0.058 0.000 1.084 204 F CA 1.575 59.621 58.000 0.077 0.000 1.268 204 F CB -0.537 38.528 39.000 0.108 0.000 1.009 204 F HN -0.004 nan 8.300 nan 0.000 0.486 205 V N 0.643 120.412 119.914 -0.243 0.000 2.667 205 V HA -0.175 3.945 4.120 -0.000 0.000 0.252 205 V C 2.522 178.456 176.094 -0.267 0.000 1.065 205 V CA 1.890 63.955 62.300 -0.392 0.000 1.083 205 V CB -0.637 31.094 31.823 -0.153 0.000 0.692 205 V HN 0.303 nan 8.190 nan 0.000 0.468 206 R N 0.201 120.612 120.500 -0.148 0.000 2.080 206 R HA -0.074 4.265 4.340 -0.000 0.000 0.222 206 R C 2.538 178.774 176.300 -0.107 0.000 1.107 206 R CA 1.720 57.756 56.100 -0.107 0.000 0.980 206 R CB -0.460 29.808 30.300 -0.054 0.000 0.879 206 R HN 0.690 nan 8.270 nan 0.000 0.439 207 T N -1.840 112.663 114.554 -0.086 0.000 2.942 207 T HA -0.004 4.345 4.350 -0.000 0.000 0.265 207 T C 1.213 175.864 174.700 -0.082 0.000 1.062 207 T CA 0.243 62.314 62.100 -0.049 0.000 1.139 207 T CB -0.044 68.835 68.868 0.017 0.000 0.883 207 T HN -0.001 nan 8.240 nan 0.000 0.468 208 S N 3.178 118.763 115.700 -0.191 0.000 2.546 208 S HA 0.166 4.636 4.470 -0.000 0.000 0.290 208 S C -0.744 173.761 174.600 -0.158 0.000 1.290 208 S CA -1.172 56.904 58.200 -0.206 0.000 1.069 208 S CB 0.904 63.747 63.200 -0.594 0.000 0.846 208 S HN 0.288 nan 8.310 nan 0.000 0.495 209 P HA 0.013 nan 4.420 nan 0.000 0.216 209 P C 0.306 177.539 177.300 -0.111 0.000 1.153 209 P CA 0.995 64.046 63.100 -0.082 0.000 0.848 209 P CB -0.097 31.575 31.700 -0.047 0.000 0.787 210 A N -0.094 122.664 122.820 -0.105 0.000 3.258 210 A HA 0.512 4.832 4.320 -0.000 0.000 0.275 210 A C 1.567 179.023 177.584 -0.212 0.000 1.452 210 A CA 0.098 52.057 52.037 -0.129 0.000 1.120 210 A CB -1.162 17.805 19.000 -0.055 0.000 1.107 210 A HN 0.267 nan 8.150 nan 0.000 0.651 211 G N -0.696 107.929 108.800 -0.291 0.000 2.743 211 G HA2 0.263 4.223 3.960 -0.000 0.000 0.206 211 G HA3 0.263 4.223 3.960 -0.000 0.000 0.206 211 G C 1.503 176.185 174.900 -0.363 0.000 1.115 211 G CA 0.902 45.773 45.100 -0.381 0.000 0.782 211 G HN 0.720 nan 8.290 nan 0.000 0.524 212 A N 1.885 124.528 122.820 -0.296 0.000 1.929 212 A HA -0.218 4.102 4.320 -0.000 0.000 0.221 212 A C 2.383 179.773 177.584 -0.324 0.000 1.211 212 A CA 1.989 53.875 52.037 -0.251 0.000 0.657 212 A CB -0.493 18.389 19.000 -0.198 0.000 0.827 212 A HN 0.356 nan 8.150 nan 0.000 0.462 213 R N -2.040 118.149 120.500 -0.518 0.000 2.091 213 R HA -0.184 4.156 4.340 -0.000 0.000 0.238 213 R C 1.729 177.688 176.300 -0.567 0.000 1.136 213 R CA 1.913 57.623 56.100 -0.650 0.000 0.959 213 R CB -0.470 29.176 30.300 -1.090 0.000 0.856 213 R HN 0.742 nan 8.270 nan 0.000 0.437 214 Y N 0.155 120.269 120.300 -0.310 0.000 2.478 214 Y HA 0.120 4.670 4.550 -0.000 0.000 0.261 214 Y C 2.117 177.830 175.900 -0.313 0.000 1.127 214 Y CA -0.526 57.283 58.100 -0.485 0.000 1.288 214 Y CB -0.257 37.500 38.460 -1.171 0.000 1.084 214 Y HN -0.061 nan 8.280 nan 0.000 0.530 215 E N 1.384 121.493 120.200 -0.152 0.000 2.136 215 E HA -0.313 4.037 4.350 -0.000 0.000 0.208 215 E C 2.196 178.781 176.600 -0.025 0.000 1.035 215 E CA 1.479 57.824 56.400 -0.091 0.000 0.838 215 E CB -0.135 29.500 29.700 -0.108 0.000 0.748 215 E HN 0.446 nan 8.360 nan 0.000 0.459 216 A N 1.076 123.882 122.820 -0.024 0.000 1.836 216 A HA -0.239 4.081 4.320 -0.000 0.000 0.215 216 A C 2.351 179.977 177.584 0.070 0.000 1.214 216 A CA 2.013 54.061 52.037 0.018 0.000 0.636 216 A CB -1.219 17.792 19.000 0.018 0.000 0.847 216 A HN 0.334 nan 8.150 nan 0.000 0.451 217 L N -0.379 120.922 121.223 0.131 0.000 2.012 217 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 217 L C 2.760 179.761 176.870 0.219 0.000 1.073 217 L CA 2.493 57.458 54.840 0.207 0.000 0.748 217 L CB -0.818 41.459 42.059 0.364 0.000 0.891 217 L HN 0.435 nan 8.230 nan 0.000 0.431 218 A N -1.989 121.020 122.820 0.315 0.000 2.032 218 A HA -0.231 4.089 4.320 -0.000 0.000 0.221 218 A C 2.222 179.950 177.584 0.240 0.000 1.165 218 A CA 2.339 54.599 52.037 0.372 0.000 0.645 218 A CB -1.065 18.115 19.000 0.300 0.000 0.807 218 A HN 0.565 nan 8.150 nan 0.000 0.453 219 T N -0.957 113.667 114.554 0.117 0.000 2.809 219 T HA -0.075 4.275 4.350 -0.000 0.000 0.260 219 T C 1.849 176.562 174.700 0.022 0.000 1.039 219 T CA 1.189 63.329 62.100 0.067 0.000 1.141 219 T CB -0.188 68.699 68.868 0.033 0.000 0.869 219 T HN 0.728 nan 8.240 nan 0.000 0.437 220 E N 0.801 120.996 120.200 -0.009 0.000 2.118 220 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 220 E C 2.023 178.447 176.600 -0.293 0.000 0.992 220 E CA 1.051 57.407 56.400 -0.074 0.000 0.804 220 E CB -0.245 29.453 29.700 -0.004 0.000 0.741 220 E HN 0.494 nan 8.360 nan 0.000 0.458 221 I N 0.717 121.028 120.570 -0.431 0.000 2.353 221 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 221 I C 2.118 178.001 176.117 -0.390 0.000 1.119 221 I CA 1.155 61.993 61.300 -0.770 0.000 1.417 221 I CB -0.213 37.392 38.000 -0.659 0.000 1.078 221 I HN 0.144 nan 8.210 nan 0.000 0.421 222 D N 0.893 121.246 120.400 -0.078 0.000 2.219 222 D HA -0.133 4.506 4.640 -0.000 0.000 0.205 222 D C 2.310 178.622 176.300 0.020 0.000 0.970 222 D CA 1.177 55.216 54.000 0.065 0.000 0.851 222 D CB 0.144 41.052 40.800 0.180 0.000 0.943 222 D HN 0.116 nan 8.370 nan 0.000 0.488 223 R N -0.750 119.744 120.500 -0.010 0.000 2.119 223 R HA 0.102 4.442 4.340 -0.000 0.000 0.222 223 R C 2.370 178.711 176.300 0.069 0.000 1.088 223 R CA 0.985 57.100 56.100 0.025 0.000 0.984 223 R CB -0.238 30.063 30.300 0.003 0.000 0.884 223 R HN 0.158 nan 8.270 nan 0.000 0.447 224 G N 0.936 109.751 108.800 0.025 0.000 2.422 224 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 224 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 224 G C 1.365 176.374 174.900 0.181 0.000 1.146 224 G CA 0.395 45.594 45.100 0.165 0.000 0.769 224 G HN 0.102 nan 8.290 nan 0.000 0.547 225 L N -0.357 120.907 121.223 0.067 0.000 1.973 225 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 225 L C 3.170 180.100 176.870 0.101 0.000 1.073 225 L CA 0.978 55.864 54.840 0.076 0.000 0.746 225 L CB -0.368 41.715 42.059 0.039 0.000 0.891 225 L HN 0.100 nan 8.230 nan 0.000 0.433 226 R N -0.668 119.885 120.500 0.089 0.000 2.170 226 R HA -0.230 4.110 4.340 -0.000 0.000 0.242 226 R C 2.225 178.601 176.300 0.126 0.000 1.145 226 R CA 1.724 57.869 56.100 0.075 0.000 0.984 226 R CB -0.598 29.738 30.300 0.061 0.000 0.869 226 R HN 0.324 nan 8.270 nan 0.000 0.455 227 F N 2.010 121.970 119.950 0.016 0.000 2.146 227 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 227 F C 2.400 178.215 175.800 0.024 0.000 1.096 227 F CA 1.438 59.451 58.000 0.022 0.000 1.275 227 F CB -0.026 38.996 39.000 0.036 0.000 1.008 227 F HN -0.097 nan 8.300 nan 0.000 0.480 228 M N -1.879 117.716 119.600 -0.007 0.000 2.419 228 M HA 0.014 4.494 4.480 -0.000 0.000 0.264 228 M C 2.040 178.276 176.300 -0.106 0.000 1.082 228 M CA 1.479 56.699 55.300 -0.134 0.000 1.119 228 M CB -0.577 32.026 32.600 0.005 0.000 1.398 228 M HN 0.046 nan 8.290 nan 0.000 0.453 229 S N 0.833 116.504 115.700 -0.048 0.000 2.406 229 S HA 0.103 4.573 4.470 -0.000 0.000 0.228 229 S C 2.064 176.616 174.600 -0.079 0.000 1.020 229 S CA 1.122 59.294 58.200 -0.046 0.000 0.965 229 S CB -0.199 62.981 63.200 -0.033 0.000 0.798 229 S HN 0.669 nan 8.310 nan 0.000 0.488 230 A N 0.181 122.936 122.820 -0.108 0.000 1.898 230 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 230 A C 2.121 179.604 177.584 -0.169 0.000 1.181 230 A CA 1.417 53.387 52.037 -0.113 0.000 0.620 230 A CB -1.062 17.892 19.000 -0.077 0.000 0.819 230 A HN 0.677 nan 8.150 nan 0.000 0.442 231 C N -0.146 118.976 119.300 -0.297 0.000 2.526 231 C HA 0.425 4.885 4.460 -0.000 0.000 0.286 231 C C 1.623 176.522 174.990 -0.151 0.000 1.416 231 C CA 0.014 58.871 59.018 -0.268 0.000 1.671 231 C CB -1.766 25.735 27.740 -0.400 0.000 1.650 231 C HN 1.160 nan 8.230 nan 0.000 0.590 232 G N 0.299 109.031 108.800 -0.113 0.000 2.341 232 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.278 232 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.278 232 G C -0.151 174.716 174.900 -0.055 0.000 1.111 232 G CA 0.230 45.289 45.100 -0.069 0.000 0.982 232 G HN 0.574 nan 8.290 nan 0.000 0.502 233 V N -0.272 119.610 119.914 -0.054 0.000 2.965 233 V HA 0.564 4.684 4.120 -0.000 0.000 0.403 233 V C 0.878 176.968 176.094 -0.007 0.000 1.393 233 V CA 0.012 62.293 62.300 -0.032 0.000 1.554 233 V CB 0.847 32.644 31.823 -0.043 0.000 1.360 233 V HN 1.427 nan 8.190 nan 0.000 0.657 234 A N 1.047 123.869 122.820 0.003 0.000 2.981 234 A HA 0.449 4.768 4.320 -0.000 0.000 0.280 234 A C 0.078 177.682 177.584 0.032 0.000 1.743 234 A CA 0.225 52.285 52.037 0.038 0.000 1.430 234 A CB -0.332 18.689 19.000 0.036 0.000 1.085 234 A HN 0.647 nan 8.150 nan 0.000 0.597 235 D N 0.664 121.079 120.400 0.026 0.000 2.385 235 D HA 0.589 5.229 4.640 -0.000 0.000 0.254 235 D C 1.592 177.898 176.300 0.009 0.000 1.053 235 D CA 0.235 54.242 54.000 0.013 0.000 0.992 235 D CB 0.998 41.801 40.800 0.006 0.000 1.145 235 D HN 0.214 nan 8.370 nan 0.000 0.523 236 R N 1.056 121.558 120.500 0.003 0.000 2.120 236 R HA -0.160 4.179 4.340 -0.000 0.000 0.234 236 R C 1.801 178.096 176.300 -0.008 0.000 1.123 236 R CA 1.896 57.995 56.100 -0.003 0.000 0.975 236 R CB -1.773 28.525 30.300 -0.002 0.000 0.866 236 R HN 0.606 nan 8.270 nan 0.000 0.446 237 N N 0.639 119.336 118.700 -0.004 0.000 2.166 237 N HA -0.032 4.708 4.740 -0.000 0.000 0.186 237 N C 1.672 177.176 175.510 -0.011 0.000 1.019 237 N CA 1.348 54.395 53.050 -0.004 0.000 0.856 237 N CB -0.147 38.343 38.487 0.004 0.000 0.993 237 N HN 0.522 nan 8.380 nan 0.000 0.426 238 L N 0.076 121.293 121.223 -0.011 0.000 2.275 238 L HA -0.077 4.263 4.340 -0.000 0.000 0.215 238 L C 1.826 178.649 176.870 -0.078 0.000 1.119 238 L CA 0.692 55.514 54.840 -0.029 0.000 0.790 238 L CB -0.289 41.771 42.059 0.002 0.000 0.919 238 L HN 0.181 nan 8.230 nan 0.000 0.443 239 Q N -0.146 119.619 119.800 -0.058 0.000 2.311 239 Q HA 0.017 4.356 4.340 -0.000 0.000 0.203 239 Q C 0.868 176.832 176.000 -0.061 0.000 0.954 239 Q CA 0.873 56.632 55.803 -0.073 0.000 0.885 239 Q CB 0.079 28.795 28.738 -0.037 0.000 0.963 239 Q HN 0.578 nan 8.270 nan 0.000 0.471 240 T N -3.480 111.048 114.554 -0.043 0.000 2.889 240 T HA 0.813 5.163 4.350 -0.000 0.000 0.315 240 T C -0.914 173.769 174.700 -0.028 0.000 1.291 240 T CA -0.442 61.638 62.100 -0.033 0.000 1.028 240 T CB 2.079 70.930 68.868 -0.028 0.000 1.235 240 T HN 0.058 nan 8.240 nan 0.000 0.491 241 A N 1.331 124.134 122.820 -0.028 0.000 2.414 241 A HA 0.979 5.299 4.320 -0.000 0.000 0.278 241 A C -0.779 176.768 177.584 -0.061 0.000 1.228 241 A CA -1.011 51.009 52.037 -0.028 0.000 0.857 241 A CB 1.271 20.264 19.000 -0.012 0.000 1.389 241 A HN 1.143 nan 8.150 nan 0.000 0.452 242 E N 0.112 120.260 120.200 -0.086 0.000 2.263 242 E HA 0.636 4.985 4.350 -0.000 0.000 0.268 242 E C -1.771 174.677 176.600 -0.254 0.000 0.884 242 E CA -0.440 55.837 56.400 -0.205 0.000 0.766 242 E CB 1.565 31.104 29.700 -0.269 0.000 1.196 242 E HN 0.449 nan 8.360 nan 0.000 0.416 243 I N 3.619 124.015 120.570 -0.291 0.000 2.410 243 I HA 0.297 4.467 4.170 -0.000 0.000 0.286 243 I C -0.933 175.026 176.117 -0.264 0.000 1.009 243 I CA -1.016 60.179 61.300 -0.175 0.000 1.111 243 I CB 0.815 38.782 38.000 -0.055 0.000 1.262 243 I HN 0.557 nan 8.210 nan 0.000 0.443 244 Y N 4.166 124.429 120.300 -0.062 0.000 2.307 244 Y HA 0.593 5.143 4.550 -0.000 0.000 0.324 244 Y C 0.755 176.786 175.900 0.219 0.000 1.238 244 Y CA -0.507 57.548 58.100 -0.075 0.000 1.280 244 Y CB 1.109 39.445 38.460 -0.207 0.000 1.248 244 Y HN 0.584 nan 8.280 nan 0.000 0.508 245 A N 1.553 124.802 122.820 0.715 0.000 2.295 245 A HA 0.827 5.147 4.320 -0.000 0.000 0.318 245 A C -0.483 177.325 177.584 0.372 0.000 1.134 245 A CA -0.120 52.169 52.037 0.420 0.000 0.827 245 A CB 0.616 19.795 19.000 0.298 0.000 1.136 245 A HN 0.816 nan 8.150 nan 0.000 0.493 246 S N 0.477 116.372 115.700 0.325 0.000 2.587 246 S HA 0.818 5.287 4.470 -0.000 0.000 0.269 246 S C -0.993 173.844 174.600 0.394 0.000 1.154 246 S CA -0.514 57.876 58.200 0.317 0.000 0.824 246 S CB 1.412 64.847 63.200 0.392 0.000 1.118 246 S HN 1.803 nan 8.310 nan 0.000 0.462 247 H N -0.650 118.515 119.070 0.158 0.000 2.950 247 H HA 0.460 5.016 4.556 -0.000 0.000 0.307 247 H C -1.328 173.382 175.328 -1.030 0.000 1.403 247 H CA -0.582 55.359 56.048 -0.178 0.000 1.145 247 H CB 1.019 30.728 29.762 -0.089 0.000 1.844 247 H HN 0.890 nan 8.280 nan 0.000 0.515 248 E N 1.175 120.516 120.200 -1.432 0.000 2.351 248 E HA 0.370 4.719 4.350 -0.000 0.000 0.266 248 E C -0.298 175.924 176.600 -0.631 0.000 1.031 248 E CA -0.309 55.126 56.400 -1.608 0.000 0.911 248 E CB 0.413 29.520 29.700 -0.989 0.000 0.986 248 E HN 0.607 nan 8.360 nan 0.000 0.446 249 A N 6.325 128.816 122.820 -0.548 0.000 2.666 249 A HA 0.126 4.446 4.320 -0.000 0.000 0.301 249 A C 0.320 177.788 177.584 -0.194 0.000 1.470 249 A CA -0.144 51.775 52.037 -0.196 0.000 1.159 249 A CB -0.121 18.838 19.000 -0.069 0.000 1.116 249 A HN 0.893 nan 8.150 nan 0.000 0.548 250 L N 3.369 124.518 121.223 -0.123 0.000 2.590 250 L HA 0.250 4.590 4.340 -0.000 0.000 0.181 250 L C 0.236 177.142 176.870 0.061 0.000 1.134 250 L CA 0.383 55.143 54.840 -0.133 0.000 0.850 250 L CB 0.296 42.252 42.059 -0.171 0.000 1.172 250 L HN 0.303 nan 8.230 nan 0.000 0.498 251 V N 2.819 122.760 119.914 0.045 0.000 2.381 251 V HA -0.013 4.106 4.120 -0.000 0.000 0.257 251 V C 1.398 177.536 176.094 0.073 0.000 1.057 251 V CA 0.228 62.570 62.300 0.069 0.000 1.013 251 V CB 0.825 32.711 31.823 0.105 0.000 1.069 251 V HN 0.369 nan 8.190 nan 0.000 0.484 252 L N 2.238 123.445 121.223 -0.025 0.000 2.291 252 L HA -0.038 4.302 4.340 -0.000 0.000 0.214 252 L C 2.004 178.814 176.870 -0.099 0.000 1.120 252 L CA 0.740 55.464 54.840 -0.194 0.000 0.799 252 L CB -0.199 41.681 42.059 -0.298 0.000 0.925 252 L HN 0.611 nan 8.230 nan 0.000 0.446 253 D N -0.427 120.003 120.400 0.051 0.000 2.084 253 D HA -0.244 4.396 4.640 -0.000 0.000 0.194 253 D C 1.878 178.253 176.300 0.125 0.000 0.990 253 D CA 1.398 55.473 54.000 0.126 0.000 0.826 253 D CB -0.059 40.921 40.800 0.299 0.000 0.971 253 D HN 0.267 nan 8.370 nan 0.000 0.453 254 Y N 1.986 122.331 120.300 0.074 0.000 2.145 254 Y HA -0.184 4.365 4.550 -0.000 0.000 0.286 254 Y C 2.174 178.112 175.900 0.063 0.000 1.145 254 Y CA 1.537 59.682 58.100 0.076 0.000 1.148 254 Y CB -0.001 38.523 38.460 0.106 0.000 0.981 254 Y HN -0.149 nan 8.280 nan 0.000 0.507 255 E N 0.550 120.759 120.200 0.014 0.000 2.110 255 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 255 E C 2.281 178.879 176.600 -0.003 0.000 0.988 255 E CA 1.667 58.048 56.400 -0.033 0.000 0.804 255 E CB -0.399 29.225 29.700 -0.126 0.000 0.745 255 E HN 0.721 nan 8.360 nan 0.000 0.458 256 R N 0.568 121.027 120.500 -0.069 0.000 2.090 256 R HA 0.148 4.488 4.340 -0.000 0.000 0.228 256 R C 2.211 178.536 176.300 0.042 0.000 1.110 256 R CA 1.194 57.346 56.100 0.086 0.000 0.973 256 R CB -0.452 29.867 30.300 0.031 0.000 0.869 256 R HN 0.030 nan 8.270 nan 0.000 0.440 257 A N 1.358 124.151 122.820 -0.045 0.000 2.070 257 A HA 0.003 4.323 4.320 -0.000 0.000 0.220 257 A C 1.814 179.332 177.584 -0.109 0.000 1.159 257 A CA 1.053 53.042 52.037 -0.079 0.000 0.656 257 A CB -0.169 18.767 19.000 -0.107 0.000 0.800 257 A HN 0.276 nan 8.150 nan 0.000 0.453 258 M N -0.274 119.246 119.600 -0.133 0.000 2.475 258 M HA 0.345 4.825 4.480 -0.000 0.000 0.261 258 M C -0.209 176.094 176.300 0.006 0.000 1.177 258 M CA -0.044 55.191 55.300 -0.109 0.000 0.979 258 M CB -0.775 31.706 32.600 -0.197 0.000 1.482 258 M HN 0.194 nan 8.290 nan 0.000 0.484 259 L N 1.757 123.009 121.223 0.049 0.000 2.397 259 L HA 0.241 4.581 4.340 -0.000 0.000 0.271 259 L C 0.437 177.342 176.870 0.059 0.000 1.148 259 L CA 0.089 54.979 54.840 0.083 0.000 0.825 259 L CB 0.399 42.518 42.059 0.100 0.000 1.117 259 L HN 0.142 nan 8.230 nan 0.000 0.456 260 R N 2.744 123.295 120.500 0.086 0.000 2.740 260 R HA 0.512 4.852 4.340 -0.000 0.000 0.273 260 R C -1.379 174.994 176.300 0.122 0.000 0.998 260 R CA -1.075 55.070 56.100 0.074 0.000 0.900 260 R CB 2.133 32.463 30.300 0.049 0.000 1.223 260 R HN 0.318 nan 8.270 nan 0.000 0.466 261 L N 1.007 122.285 121.223 0.092 0.000 2.312 261 L HA 0.376 4.716 4.340 -0.000 0.000 0.281 261 L C 0.442 177.391 176.870 0.132 0.000 1.070 261 L CA 0.153 55.060 54.840 0.112 0.000 0.805 261 L CB 1.599 43.694 42.059 0.059 0.000 1.174 261 L HN 0.744 nan 8.230 nan 0.000 0.434 262 S N 2.044 117.874 115.700 0.216 0.000 2.584 262 S HA 0.124 4.593 4.470 -0.000 0.000 0.270 262 S C 0.771 175.422 174.600 0.086 0.000 1.346 262 S CA 0.379 58.683 58.200 0.173 0.000 1.018 262 S CB 0.628 64.027 63.200 0.332 0.000 0.899 262 S HN 0.842 nan 8.310 nan 0.000 0.542 263 D N 1.360 121.789 120.400 0.048 0.000 2.146 263 D HA 0.263 4.903 4.640 -0.000 0.000 0.209 263 D C 1.277 177.595 176.300 0.030 0.000 0.973 263 D CA 0.950 54.968 54.000 0.029 0.000 0.860 263 D CB -0.611 40.196 40.800 0.011 0.000 1.015 263 D HN 0.949 nan 8.370 nan 0.000 0.465 264 G N -0.731 108.088 108.800 0.033 0.000 3.216 264 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.221 264 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.221 264 G C -0.179 174.734 174.900 0.022 0.000 0.949 264 G CA 0.004 45.121 45.100 0.027 0.000 0.952 264 G HN 0.111 nan 8.290 nan 0.000 0.657 265 D N 1.566 121.979 120.400 0.022 0.000 2.325 265 D HA 0.222 4.862 4.640 -0.000 0.000 0.225 265 D C 0.333 176.647 176.300 0.024 0.000 1.096 265 D CA 0.578 54.588 54.000 0.018 0.000 0.844 265 D CB 0.568 41.375 40.800 0.012 0.000 0.925 265 D HN 0.544 nan 8.370 nan 0.000 0.513 266 D N -0.812 119.609 120.400 0.035 0.000 2.613 266 D HA 0.397 5.037 4.640 -0.000 0.000 0.312 266 D C 1.121 177.438 176.300 0.028 0.000 1.202 266 D CA -0.761 53.263 54.000 0.041 0.000 0.825 266 D CB 0.161 41.007 40.800 0.076 0.000 1.113 266 D HN 0.043 nan 8.370 nan 0.000 0.502 267 G N 1.128 109.935 108.800 0.012 0.000 2.543 267 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.286 267 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.286 267 G C -0.148 174.754 174.900 0.003 0.000 1.153 267 G CA 0.164 45.264 45.100 -0.001 0.000 0.968 267 G HN 0.476 nan 8.290 nan 0.000 0.544 268 E N 1.656 121.853 120.200 -0.005 0.000 2.284 268 E HA 0.612 4.962 4.350 -0.000 0.000 0.255 268 E C -2.465 174.143 176.600 0.013 0.000 1.052 268 E CA -1.734 54.666 56.400 -0.001 0.000 0.904 268 E CB 0.375 30.067 29.700 -0.014 0.000 1.217 268 E HN 0.283 nan 8.360 nan 0.000 0.438 269 P HA 0.181 nan 4.420 nan 0.000 0.279 269 P C -0.871 176.436 177.300 0.011 0.000 1.239 269 P CA -0.047 63.072 63.100 0.032 0.000 0.789 269 P CB 0.610 32.326 31.700 0.027 0.000 0.933 270 Q N 1.143 120.960 119.800 0.028 0.000 2.522 270 Q HA 0.486 4.826 4.340 -0.000 0.000 0.285 270 Q C -1.440 174.524 176.000 -0.060 0.000 0.982 270 Q CA -1.012 54.755 55.803 -0.060 0.000 0.805 270 Q CB 0.858 29.499 28.738 -0.163 0.000 1.457 270 Q HN 0.156 nan 8.270 nan 0.000 0.394 271 L N 1.635 122.776 121.223 -0.137 0.000 2.367 271 L HA 0.447 4.787 4.340 -0.000 0.000 0.275 271 L C -0.937 175.813 176.870 -0.200 0.000 1.129 271 L CA -0.137 54.649 54.840 -0.090 0.000 0.839 271 L CB 0.228 42.218 42.059 -0.115 0.000 1.133 271 L HN 0.533 nan 8.230 nan 0.000 0.453 272 F N 1.071 120.991 119.950 -0.050 0.000 2.507 272 F HA 0.206 4.733 4.527 -0.000 0.000 0.325 272 F C 0.258 176.045 175.800 -0.022 0.000 1.116 272 F CA -0.826 57.151 58.000 -0.037 0.000 0.930 272 F CB 1.661 40.654 39.000 -0.011 0.000 1.146 272 F HN 0.362 nan 8.300 nan 0.000 0.447 273 D N 4.731 125.230 120.400 0.165 0.000 2.374 273 D HA 0.172 4.811 4.640 -0.000 0.000 0.240 273 D C 0.121 176.509 176.300 0.147 0.000 1.229 273 D CA 0.172 54.259 54.000 0.146 0.000 0.895 273 D CB 0.647 41.535 40.800 0.148 0.000 1.046 273 D HN 0.531 nan 8.370 nan 0.000 0.498 274 L N 3.192 124.483 121.223 0.113 0.000 2.851 274 L HA 0.067 4.406 4.340 -0.000 0.000 0.237 274 L C 1.771 178.694 176.870 0.088 0.000 1.257 274 L CA -0.155 54.729 54.840 0.073 0.000 1.061 274 L CB -0.197 41.889 42.059 0.046 0.000 1.372 274 L HN 0.307 nan 8.230 nan 0.000 0.493 275 S N -1.135 114.645 115.700 0.134 0.000 2.528 275 S HA 0.389 4.858 4.470 -0.000 0.000 0.219 275 S C 0.762 175.543 174.600 0.302 0.000 0.985 275 S CA 0.229 58.580 58.200 0.251 0.000 0.914 275 S CB 0.448 63.853 63.200 0.341 0.000 0.776 275 S HN 0.368 nan 8.310 nan 0.000 0.526 276 A N -0.067 122.841 122.820 0.146 0.000 2.467 276 A HA 0.672 4.992 4.320 -0.000 0.000 0.301 276 A C -0.212 177.321 177.584 -0.085 0.000 1.126 276 A CA -0.525 51.537 52.037 0.041 0.000 0.632 276 A CB -0.259 18.832 19.000 0.152 0.000 1.331 276 A HN 0.223 nan 8.150 nan 0.000 0.482 277 H N -0.531 118.648 119.070 0.181 0.000 2.306 277 H HA 0.279 4.835 4.556 -0.000 0.000 0.307 277 H C 0.938 176.333 175.328 0.111 0.000 1.061 277 H CA 1.884 58.034 56.048 0.170 0.000 1.359 277 H CB 0.268 30.178 29.762 0.246 0.000 1.407 277 H HN 0.601 nan 8.280 nan 0.000 0.517 278 T N 0.894 115.585 114.554 0.228 0.000 2.887 278 T HA 0.555 4.905 4.350 -0.000 0.000 0.288 278 T C -1.185 173.585 174.700 0.117 0.000 1.021 278 T CA -0.594 61.591 62.100 0.141 0.000 1.000 278 T CB 0.917 69.856 68.868 0.119 0.000 1.034 278 T HN 0.180 nan 8.240 nan 0.000 0.467 279 V N 2.429 122.388 119.914 0.074 0.000 3.007 279 V HA 0.996 5.116 4.120 -0.000 0.000 0.311 279 V C -1.104 175.063 176.094 0.122 0.000 1.120 279 V CA -1.277 61.017 62.300 -0.012 0.000 0.980 279 V CB 1.373 33.056 31.823 -0.233 0.000 1.033 279 V HN 1.111 nan 8.190 nan 0.000 0.429 280 W N 2.071 123.332 121.300 -0.065 0.000 2.894 280 W HA 0.950 5.610 4.660 -0.000 0.000 0.345 280 W C -1.479 174.982 176.519 -0.097 0.000 1.152 280 W CA -1.417 55.879 57.345 -0.083 0.000 1.089 280 W CB 1.232 30.627 29.460 -0.107 0.000 1.454 280 W HN 0.631 nan 8.180 nan 0.000 0.589 281 I N 2.050 122.661 120.570 0.069 0.000 2.509 281 I HA 0.529 4.698 4.170 -0.000 0.000 0.293 281 I C 0.698 176.821 176.117 0.009 0.000 1.020 281 I CA -1.094 60.142 61.300 -0.106 0.000 1.088 281 I CB 1.788 39.738 38.000 -0.082 0.000 1.267 281 I HN 0.775 nan 8.210 nan 0.000 0.430 282 G N 2.625 111.360 108.800 -0.108 0.000 2.537 282 G HA2 0.141 4.100 3.960 -0.000 0.000 0.273 282 G HA3 0.141 4.100 3.960 -0.000 0.000 0.273 282 G C 0.640 175.494 174.900 -0.076 0.000 1.189 282 G CA -0.149 44.926 45.100 -0.043 0.000 0.881 282 G HN 0.777 nan 8.290 nan 0.000 0.535 283 E N 0.277 120.435 120.200 -0.071 0.000 2.114 283 E HA -0.210 4.140 4.350 -0.000 0.000 0.199 283 E C 2.190 178.770 176.600 -0.033 0.000 1.008 283 E CA 1.486 57.856 56.400 -0.051 0.000 0.810 283 E CB -0.001 29.669 29.700 -0.050 0.000 0.739 283 E HN 0.521 nan 8.360 nan 0.000 0.456 284 R N -1.066 119.404 120.500 -0.049 0.000 2.320 284 R HA 0.103 4.443 4.340 -0.000 0.000 0.211 284 R C 0.433 176.711 176.300 -0.036 0.000 0.931 284 R CA 1.071 57.151 56.100 -0.033 0.000 1.071 284 R CB 0.344 30.623 30.300 -0.036 0.000 1.025 284 R HN 0.246 nan 8.270 nan 0.000 0.495 285 T N -3.304 111.212 114.554 -0.064 0.000 3.403 285 T HA 0.094 4.444 4.350 -0.000 0.000 0.308 285 T C 0.758 175.469 174.700 0.019 0.000 0.952 285 T CA -0.672 61.393 62.100 -0.057 0.000 0.970 285 T CB 0.120 68.764 68.868 -0.373 0.000 1.189 285 T HN 0.235 nan 8.240 nan 0.000 0.528 286 R N 0.589 121.108 120.500 0.032 0.000 2.426 286 R HA 0.364 4.704 4.340 -0.000 0.000 0.263 286 R C -0.429 175.990 176.300 0.198 0.000 0.961 286 R CA -0.598 55.546 56.100 0.074 0.000 1.086 286 R CB -0.336 29.949 30.300 -0.026 0.000 1.186 286 R HN 0.164 nan 8.270 nan 0.000 0.537 287 Q N 1.175 121.067 119.800 0.153 0.000 2.618 287 Q HA -0.124 4.216 4.340 -0.000 0.000 0.344 287 Q C 0.945 177.039 176.000 0.157 0.000 1.073 287 Q CA 0.154 56.037 55.803 0.134 0.000 1.105 287 Q CB 0.467 29.260 28.738 0.092 0.000 1.028 287 Q HN 0.342 nan 8.270 nan 0.000 0.397 288 I N 2.192 122.832 120.570 0.115 0.000 2.264 288 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 288 I C 0.737 176.883 176.117 0.047 0.000 1.111 288 I CA 1.771 63.104 61.300 0.055 0.000 1.382 288 I CB 0.124 38.049 38.000 -0.125 0.000 1.060 288 I HN 0.628 nan 8.210 nan 0.000 0.418 289 D N 0.596 121.016 120.400 0.033 0.000 2.340 289 D HA 0.192 4.831 4.640 -0.000 0.000 0.217 289 D C 0.939 177.262 176.300 0.038 0.000 1.081 289 D CA 0.418 54.432 54.000 0.024 0.000 0.842 289 D CB -0.166 40.638 40.800 0.007 0.000 0.934 289 D HN 0.382 nan 8.370 nan 0.000 0.511 290 G N 0.084 108.923 108.800 0.065 0.000 2.684 290 G HA2 0.262 4.222 3.960 -0.000 0.000 0.255 290 G HA3 0.262 4.222 3.960 -0.000 0.000 0.255 290 G C 1.112 176.036 174.900 0.040 0.000 1.219 290 G CA 0.179 45.316 45.100 0.060 0.000 0.901 290 G HN 0.112 nan 8.290 nan 0.000 0.548 291 A N -0.727 122.073 122.820 -0.032 0.000 2.016 291 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 291 A C 1.909 179.458 177.584 -0.058 0.000 1.162 291 A CA 1.600 53.588 52.037 -0.082 0.000 0.662 291 A CB -0.495 18.390 19.000 -0.192 0.000 0.812 291 A HN 0.791 nan 8.150 nan 0.000 0.450 292 H N -0.345 118.755 119.070 0.051 0.000 2.299 292 H HA -0.014 4.542 4.556 -0.000 0.000 0.302 292 H C 1.911 177.310 175.328 0.118 0.000 1.078 292 H CA 1.647 57.734 56.048 0.065 0.000 1.323 292 H CB 0.003 29.769 29.762 0.008 0.000 1.381 292 H HN 0.314 nan 8.280 nan 0.000 0.498 293 I N 0.734 121.433 120.570 0.215 0.000 2.286 293 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 293 I C 2.591 178.783 176.117 0.125 0.000 1.115 293 I CA 1.139 62.536 61.300 0.162 0.000 1.392 293 I CB -1.159 36.953 38.000 0.186 0.000 1.065 293 I HN 0.307 nan 8.210 nan 0.000 0.418 294 A N 0.673 123.562 122.820 0.114 0.000 1.902 294 A HA -0.264 4.055 4.320 -0.000 0.000 0.217 294 A C 2.269 179.912 177.584 0.098 0.000 1.181 294 A CA 1.393 53.480 52.037 0.083 0.000 0.623 294 A CB -1.053 17.988 19.000 0.069 0.000 0.818 294 A HN 0.374 nan 8.150 nan 0.000 0.443 295 F N 0.916 120.865 119.950 -0.001 0.000 2.171 295 F HA -0.034 4.493 4.527 -0.000 0.000 0.300 295 F C 2.498 178.298 175.800 0.000 0.000 1.090 295 F CA 0.910 58.908 58.000 -0.004 0.000 1.293 295 F CB -0.357 38.643 39.000 0.000 0.000 1.013 295 F HN 0.252 nan 8.300 nan 0.000 0.486 296 A N -0.122 122.753 122.820 0.092 0.000 1.908 296 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 296 A C 2.143 179.674 177.584 -0.089 0.000 1.181 296 A CA 1.898 53.934 52.037 -0.002 0.000 0.627 296 A CB -0.896 18.138 19.000 0.057 0.000 0.818 296 A HN 0.570 nan 8.150 nan 0.000 0.445 297 Q N -0.902 118.866 119.800 -0.054 0.000 2.226 297 Q HA -0.089 4.251 4.340 -0.000 0.000 0.204 297 Q C 1.996 177.925 176.000 -0.118 0.000 0.975 297 Q CA 1.428 57.194 55.803 -0.061 0.000 0.866 297 Q CB -0.193 28.530 28.738 -0.025 0.000 0.915 297 Q HN 0.499 nan 8.270 nan 0.000 0.440 298 V N 1.137 120.933 119.914 -0.197 0.000 2.649 298 V HA -0.034 4.085 4.120 -0.000 0.000 0.248 298 V C 1.251 177.162 176.094 -0.304 0.000 1.054 298 V CA 0.582 62.744 62.300 -0.231 0.000 1.073 298 V CB -0.115 31.560 31.823 -0.247 0.000 0.699 298 V HN 0.327 nan 8.190 nan 0.000 0.463 299 I N -1.352 118.975 120.570 -0.406 0.000 2.764 299 I HA 0.529 4.699 4.170 -0.000 0.000 0.294 299 I C 0.852 176.762 176.117 -0.346 0.000 1.045 299 I CA -0.101 60.965 61.300 -0.389 0.000 1.340 299 I CB 1.251 39.006 38.000 -0.409 0.000 1.436 299 I HN -0.023 nan 8.210 nan 0.000 0.567 300 A N 3.411 125.930 122.820 -0.503 0.000 2.415 300 A HA 0.299 4.618 4.320 -0.000 0.000 0.248 300 A C 0.186 177.581 177.584 -0.316 0.000 1.299 300 A CA -0.392 51.321 52.037 -0.540 0.000 0.899 300 A CB -1.215 17.193 19.000 -0.987 0.000 0.997 300 A HN 0.844 nan 8.150 nan 0.000 0.506 301 N N 1.282 119.891 118.700 -0.152 0.000 2.513 301 N HA 0.432 5.172 4.740 -0.000 0.000 0.274 301 N C -2.973 172.529 175.510 -0.012 0.000 1.189 301 N CA -1.462 51.594 53.050 0.009 0.000 0.975 301 N CB 0.195 38.716 38.487 0.056 0.000 1.157 301 N HN 0.044 nan 8.380 nan 0.000 0.465 302 P HA 0.063 nan 4.420 nan 0.000 0.268 302 P C -0.937 176.370 177.300 0.011 0.000 1.205 302 P CA -0.294 62.803 63.100 -0.005 0.000 0.771 302 P CB 0.533 32.224 31.700 -0.016 0.000 0.858 303 V N 0.347 120.262 119.914 0.000 0.000 2.709 303 V HA 0.920 5.040 4.120 -0.000 0.000 0.308 303 V C -0.046 176.057 176.094 0.015 0.000 1.062 303 V CA -0.771 61.543 62.300 0.023 0.000 0.901 303 V CB 1.787 33.614 31.823 0.006 0.000 1.003 303 V HN 0.630 nan 8.190 nan 0.000 0.425 304 G N 2.124 110.967 108.800 0.073 0.000 2.441 304 G HA2 0.681 4.641 3.960 -0.000 0.000 0.334 304 G HA3 0.681 4.641 3.960 -0.000 0.000 0.334 304 G C -1.187 173.728 174.900 0.024 0.000 1.161 304 G CA -0.907 44.206 45.100 0.021 0.000 0.935 304 G HN 1.126 nan 8.290 nan 0.000 0.488 305 V N 2.060 121.926 119.914 -0.081 0.000 2.577 305 V HA 0.355 4.474 4.120 -0.000 0.000 0.303 305 V C -0.536 175.468 176.094 -0.150 0.000 1.042 305 V CA -1.257 60.959 62.300 -0.139 0.000 0.872 305 V CB 1.858 33.481 31.823 -0.332 0.000 0.998 305 V HN 0.596 nan 8.190 nan 0.000 0.423 306 K N 4.445 124.777 120.400 -0.114 0.000 2.326 306 K HA 0.540 4.859 4.320 -0.000 0.000 0.275 306 K C -0.780 175.763 176.600 -0.094 0.000 1.018 306 K CA -0.009 56.206 56.287 -0.119 0.000 0.962 306 K CB 0.947 33.379 32.500 -0.114 0.000 0.953 306 K HN 0.514 nan 8.250 nan 0.000 0.475 307 L N 1.761 122.960 121.223 -0.039 0.000 2.406 307 L HA 0.371 4.711 4.340 -0.000 0.000 0.270 307 L C 0.719 177.607 176.870 0.030 0.000 0.982 307 L CA -0.803 54.047 54.840 0.017 0.000 0.843 307 L CB 2.007 44.112 42.059 0.077 0.000 1.225 307 L HN 0.668 nan 8.230 nan 0.000 0.412 308 G N 2.212 111.030 108.800 0.031 0.000 2.543 308 G HA2 0.404 4.364 3.960 -0.000 0.000 0.290 308 G HA3 0.404 4.364 3.960 -0.000 0.000 0.290 308 G C -2.065 172.855 174.900 0.034 0.000 1.310 308 G CA -1.123 43.995 45.100 0.029 0.000 1.025 308 G HN 0.383 nan 8.290 nan 0.000 0.502 309 P HA -0.077 nan 4.420 nan 0.000 0.220 309 P C 1.377 178.690 177.300 0.022 0.000 1.148 309 P CA 0.946 64.053 63.100 0.013 0.000 0.803 309 P CB 0.155 31.858 31.700 0.005 0.000 0.782 310 N N -1.133 117.586 118.700 0.032 0.000 2.449 310 N HA -0.017 4.722 4.740 -0.000 0.000 0.191 310 N C 0.463 176.000 175.510 0.044 0.000 1.161 310 N CA 0.056 53.126 53.050 0.034 0.000 0.863 310 N CB -0.811 37.697 38.487 0.035 0.000 0.980 310 N HN 0.074 nan 8.380 nan 0.000 0.458 311 M N 2.257 121.891 119.600 0.056 0.000 2.239 311 M HA 0.123 4.603 4.480 -0.000 0.000 0.348 311 M C -0.175 176.162 176.300 0.061 0.000 1.239 311 M CA -0.096 55.252 55.300 0.079 0.000 1.114 311 M CB 0.546 33.207 32.600 0.102 0.000 1.641 311 M HN 0.255 nan 8.290 nan 0.000 0.453 312 T N 3.390 117.979 114.554 0.059 0.000 2.855 312 T HA 0.600 4.949 4.350 -0.000 0.000 0.281 312 T C -2.247 172.481 174.700 0.048 0.000 1.007 312 T CA -1.845 60.278 62.100 0.038 0.000 1.009 312 T CB 1.363 70.242 68.868 0.019 0.000 0.983 312 T HN 0.519 nan 8.240 nan 0.000 0.455 313 P HA -0.111 nan 4.420 nan 0.000 0.216 313 P C 1.160 178.485 177.300 0.042 0.000 1.150 313 P CA 1.097 64.225 63.100 0.048 0.000 0.843 313 P CB 0.162 31.878 31.700 0.025 0.000 0.787 314 E N -0.806 119.405 120.200 0.018 0.000 2.031 314 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 314 E C 1.875 178.460 176.600 -0.026 0.000 0.994 314 E CA 0.853 57.252 56.400 -0.002 0.000 0.800 314 E CB -1.392 28.300 29.700 -0.013 0.000 0.752 314 E HN 0.118 nan 8.360 nan 0.000 0.447 315 L N 0.635 121.835 121.223 -0.037 0.000 2.017 315 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 315 L C 2.094 178.912 176.870 -0.087 0.000 1.073 315 L CA 2.234 57.002 54.840 -0.120 0.000 0.745 315 L CB -1.000 41.007 42.059 -0.088 0.000 0.894 315 L HN 0.125 nan 8.230 nan 0.000 0.432 316 A N -0.882 121.992 122.820 0.091 0.000 1.917 316 A HA -0.218 4.101 4.320 -0.000 0.000 0.219 316 A C 2.237 179.911 177.584 0.150 0.000 1.182 316 A CA 2.415 54.588 52.037 0.226 0.000 0.633 316 A CB -1.318 17.814 19.000 0.220 0.000 0.819 316 A HN 0.370 nan 8.150 nan 0.000 0.448 317 V N -0.189 119.769 119.914 0.073 0.000 2.626 317 V HA -0.207 3.913 4.120 -0.000 0.000 0.252 317 V C 2.467 178.549 176.094 -0.019 0.000 1.067 317 V CA 2.244 64.569 62.300 0.041 0.000 1.081 317 V CB -0.742 31.104 31.823 0.039 0.000 0.686 317 V HN 0.709 nan 8.190 nan 0.000 0.468 318 E N -0.223 119.929 120.200 -0.079 0.000 2.106 318 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 318 E C 1.972 178.502 176.600 -0.116 0.000 0.984 318 E CA 1.393 57.708 56.400 -0.142 0.000 0.806 318 E CB -0.295 29.259 29.700 -0.243 0.000 0.750 318 E HN 0.656 nan 8.360 nan 0.000 0.458 319 Y N -0.600 119.680 120.300 -0.034 0.000 2.200 319 Y HA -0.099 4.451 4.550 -0.000 0.000 0.290 319 Y C 2.286 178.133 175.900 -0.088 0.000 1.137 319 Y CA 0.973 59.046 58.100 -0.044 0.000 1.163 319 Y CB -0.568 37.876 38.460 -0.026 0.000 0.988 319 Y HN -0.048 nan 8.280 nan 0.000 0.518 320 V N -0.117 119.828 119.914 0.052 0.000 2.626 320 V HA -0.235 3.885 4.120 -0.000 0.000 0.252 320 V C 1.672 177.610 176.094 -0.261 0.000 1.067 320 V CA 1.928 64.163 62.300 -0.108 0.000 1.081 320 V CB -0.384 31.370 31.823 -0.115 0.000 0.686 320 V HN 0.430 nan 8.190 nan 0.000 0.468 321 E N -0.964 119.124 120.200 -0.187 0.000 2.364 321 E HA 0.038 4.388 4.350 -0.000 0.000 0.196 321 E C 2.373 178.898 176.600 -0.126 0.000 0.990 321 E CA 0.043 56.317 56.400 -0.210 0.000 0.886 321 E CB 0.142 29.772 29.700 -0.117 0.000 0.866 321 E HN 0.501 nan 8.360 nan 0.000 0.493 322 R N 0.223 120.680 120.500 -0.071 0.000 2.075 322 R HA 0.125 4.465 4.340 -0.000 0.000 0.220 322 R C 2.205 178.490 176.300 -0.025 0.000 1.118 322 R CA 0.574 56.653 56.100 -0.036 0.000 0.986 322 R CB 0.021 30.322 30.300 0.002 0.000 0.884 322 R HN 0.140 nan 8.270 nan 0.000 0.439 323 L N 0.323 121.539 121.223 -0.012 0.000 2.341 323 L HA -0.011 4.329 4.340 -0.000 0.000 0.214 323 L C 0.441 177.290 176.870 -0.035 0.000 1.115 323 L CA 0.688 55.520 54.840 -0.013 0.000 0.820 323 L CB 0.012 42.071 42.059 0.000 0.000 0.944 323 L HN 0.063 nan 8.230 nan 0.000 0.452 324 D N -0.306 120.047 120.400 -0.077 0.000 2.607 324 D HA 0.134 4.774 4.640 -0.000 0.000 0.318 324 D C -1.687 174.583 176.300 -0.050 0.000 1.212 324 D CA -1.805 52.164 54.000 -0.053 0.000 0.861 324 D CB 0.778 41.532 40.800 -0.078 0.000 1.064 324 D HN -0.046 nan 8.370 nan 0.000 0.500 325 P HA -0.032 nan 4.420 nan 0.000 0.229 325 P C 0.400 177.586 177.300 -0.191 0.000 1.160 325 P CA 0.691 63.700 63.100 -0.151 0.000 0.777 325 P CB 0.268 31.803 31.700 -0.275 0.000 0.814 326 H N -1.589 117.517 119.070 0.060 0.000 2.652 326 H HA 0.179 4.735 4.556 -0.000 0.000 0.274 326 H C 0.227 175.597 175.328 0.070 0.000 1.021 326 H CA -0.238 55.840 56.048 0.051 0.000 1.187 326 H CB -0.352 29.418 29.762 0.014 0.000 1.505 326 H HN -0.062 nan 8.280 nan 0.000 0.530 327 N N 2.242 121.085 118.700 0.238 0.000 2.608 327 N HA -0.183 4.556 4.740 -0.000 0.000 0.273 327 N C -1.369 174.210 175.510 0.115 0.000 1.133 327 N CA 0.211 53.380 53.050 0.198 0.000 0.726 327 N CB -0.558 37.922 38.487 -0.011 0.000 0.890 327 N HN 0.194 nan 8.380 nan 0.000 0.548 328 K N 2.328 122.793 120.400 0.109 0.000 2.414 328 K HA 0.384 4.704 4.320 -0.000 0.000 0.251 328 K C -2.377 174.244 176.600 0.034 0.000 1.037 328 K CA -1.668 54.651 56.287 0.053 0.000 0.980 328 K CB 1.137 33.657 32.500 0.033 0.000 1.280 328 K HN 0.284 nan 8.250 nan 0.000 0.451 329 P HA -0.001 nan 4.420 nan 0.000 0.261 329 P C 0.824 178.116 177.300 -0.015 0.000 1.183 329 P CA 0.777 63.882 63.100 0.007 0.000 0.761 329 P CB 0.654 32.356 31.700 0.003 0.000 0.785 330 G N 3.743 112.523 108.800 -0.035 0.000 2.284 330 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.216 330 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.216 330 G C 1.261 176.128 174.900 -0.054 0.000 1.009 330 G CA 0.359 45.427 45.100 -0.053 0.000 0.625 330 G HN 0.678 nan 8.290 nan 0.000 0.501 331 R N 0.505 120.983 120.500 -0.037 0.000 2.113 331 R HA 0.072 4.412 4.340 -0.000 0.000 0.244 331 R C 1.191 177.460 176.300 -0.051 0.000 1.142 331 R CA 2.144 58.223 56.100 -0.036 0.000 0.953 331 R CB -0.449 29.839 30.300 -0.019 0.000 0.860 331 R HN 0.842 nan 8.270 nan 0.000 0.438 332 L N 0.615 121.795 121.223 -0.071 0.000 2.317 332 L HA 0.453 4.793 4.340 -0.000 0.000 0.281 332 L C -1.256 175.523 176.870 -0.151 0.000 1.024 332 L CA -0.081 54.699 54.840 -0.100 0.000 0.810 332 L CB 2.187 44.181 42.059 -0.109 0.000 1.240 332 L HN 0.160 nan 8.230 nan 0.000 0.427 333 T N 6.192 120.658 114.554 -0.148 0.000 2.809 333 T HA 0.510 4.860 4.350 -0.000 0.000 0.284 333 T C -0.409 174.169 174.700 -0.205 0.000 0.992 333 T CA -0.290 61.697 62.100 -0.190 0.000 0.957 333 T CB 0.838 69.630 68.868 -0.128 0.000 0.942 333 T HN 0.427 nan 8.240 nan 0.000 0.439 334 L N 3.793 124.838 121.223 -0.296 0.000 2.259 334 L HA 0.470 4.810 4.340 -0.000 0.000 0.288 334 L C -0.266 176.576 176.870 -0.048 0.000 1.051 334 L CA -0.869 53.848 54.840 -0.206 0.000 0.824 334 L CB 0.956 42.811 42.059 -0.340 0.000 1.206 334 L HN 0.340 nan 8.230 nan 0.000 0.429 335 V N 2.525 122.400 119.914 -0.066 0.000 2.406 335 V HA 0.148 4.268 4.120 -0.000 0.000 0.272 335 V C 0.520 176.613 176.094 -0.001 0.000 1.043 335 V CA -0.178 62.080 62.300 -0.070 0.000 0.915 335 V CB 1.541 33.229 31.823 -0.225 0.000 0.988 335 V HN 0.761 nan 8.190 nan 0.000 0.466 336 S N 5.865 121.605 115.700 0.066 0.000 2.422 336 S HA 0.542 5.012 4.470 -0.000 0.000 0.298 336 S C 0.093 174.709 174.600 0.026 0.000 1.118 336 S CA -0.913 57.350 58.200 0.106 0.000 1.083 336 S CB 0.017 63.369 63.200 0.254 0.000 0.971 336 S HN 0.781 nan 8.310 nan 0.000 0.478 337 R N 4.721 125.236 120.500 0.024 0.000 2.651 337 R HA 0.407 4.747 4.340 -0.000 0.000 0.282 337 R C 0.548 176.864 176.300 0.027 0.000 1.565 337 R CA -0.471 55.644 56.100 0.026 0.000 1.661 337 R CB -0.134 30.198 30.300 0.054 0.000 1.189 337 R HN 0.421 nan 8.270 nan 0.000 0.621 338 M N 0.518 120.127 119.600 0.015 0.000 2.216 338 M HA 0.301 4.781 4.480 -0.000 0.000 0.264 338 M C 0.662 176.921 176.300 -0.068 0.000 1.080 338 M CA 1.176 56.463 55.300 -0.022 0.000 1.153 338 M CB -0.726 31.854 32.600 -0.033 0.000 1.356 338 M HN 0.747 nan 8.290 nan 0.000 0.432 339 G N 2.184 110.953 108.800 -0.052 0.000 3.226 339 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.685 339 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.685 339 G C 0.273 175.106 174.900 -0.112 0.000 1.207 339 G CA -0.105 44.961 45.100 -0.056 0.000 0.877 339 G HN 0.355 nan 8.290 nan 0.000 0.585 340 N N 1.948 120.690 118.700 0.071 0.000 2.069 340 N HA -0.294 4.445 4.740 -0.000 0.000 0.196 340 N C 1.835 177.380 175.510 0.057 0.000 1.024 340 N CA 2.911 56.012 53.050 0.085 0.000 0.869 340 N CB -0.957 37.607 38.487 0.129 0.000 1.035 340 N HN 1.091 nan 8.380 nan 0.000 0.434 341 H N -0.558 118.536 119.070 0.041 0.000 2.489 341 H HA 0.133 4.689 4.556 -0.000 0.000 0.293 341 H C 0.938 176.285 175.328 0.030 0.000 1.066 341 H CA 1.180 57.249 56.048 0.036 0.000 1.305 341 H CB -0.204 29.581 29.762 0.037 0.000 1.386 341 H HN 0.391 nan 8.280 nan 0.000 0.551 342 K N 0.273 120.445 120.400 -0.381 0.000 2.399 342 K HA 0.117 4.437 4.320 -0.000 0.000 0.196 342 K C 2.110 178.637 176.600 -0.121 0.000 1.117 342 K CA 0.541 56.691 56.287 -0.228 0.000 0.965 342 K CB 0.648 32.972 32.500 -0.292 0.000 0.983 342 K HN 0.043 nan 8.250 nan 0.000 0.531 343 V N 2.010 121.861 119.914 -0.104 0.000 2.568 343 V HA -0.269 3.851 4.120 -0.000 0.000 0.253 343 V C 1.726 177.796 176.094 -0.039 0.000 1.072 343 V CA 1.834 64.109 62.300 -0.040 0.000 1.084 343 V CB -0.251 31.581 31.823 0.015 0.000 0.676 343 V HN 0.230 nan 8.190 nan 0.000 0.469 344 R N -0.454 120.024 120.500 -0.036 0.000 2.161 344 R HA 0.001 4.341 4.340 -0.000 0.000 0.213 344 R C 1.852 178.117 176.300 -0.059 0.000 1.055 344 R CA 1.433 57.507 56.100 -0.043 0.000 0.996 344 R CB -0.141 30.149 30.300 -0.017 0.000 0.901 344 R HN 0.591 nan 8.270 nan 0.000 0.456 345 D N 0.095 120.466 120.400 -0.050 0.000 2.324 345 D HA 0.008 4.647 4.640 -0.000 0.000 0.212 345 D C 1.857 178.124 176.300 -0.055 0.000 0.984 345 D CA 0.661 54.633 54.000 -0.046 0.000 0.885 345 D CB 0.376 41.159 40.800 -0.028 0.000 0.996 345 D HN 0.159 nan 8.370 nan 0.000 0.505 346 L N 0.369 121.557 121.223 -0.057 0.000 2.162 346 L HA -0.017 4.323 4.340 -0.000 0.000 0.205 346 L C 2.272 179.103 176.870 -0.066 0.000 1.086 346 L CA 0.257 55.067 54.840 -0.050 0.000 0.778 346 L CB -0.012 42.023 42.059 -0.040 0.000 0.928 346 L HN 0.011 nan 8.230 nan 0.000 0.446 347 L N 0.783 121.948 121.223 -0.096 0.000 2.072 347 L HA 0.008 4.348 4.340 -0.000 0.000 0.205 347 L C -0.559 176.169 176.870 -0.238 0.000 1.079 347 L CA 1.803 56.551 54.840 -0.154 0.000 0.752 347 L CB -1.399 40.547 42.059 -0.188 0.000 0.906 347 L HN 0.015 nan 8.230 nan 0.000 0.436 348 P HA -0.108 nan 4.420 nan 0.000 0.215 348 P C -1.424 175.758 177.300 -0.198 0.000 1.157 348 P CA 1.935 64.881 63.100 -0.257 0.000 0.868 348 P CB -1.303 30.285 31.700 -0.187 0.000 0.788 349 P HA -0.095 nan 4.420 nan 0.000 0.220 349 P C 1.640 178.895 177.300 -0.074 0.000 1.148 349 P CA 1.302 64.351 63.100 -0.085 0.000 0.803 349 P CB -0.413 31.255 31.700 -0.054 0.000 0.782 350 I N -0.877 119.639 120.570 -0.090 0.000 2.353 350 I HA -0.140 4.030 4.170 -0.000 0.000 0.248 350 I C 2.345 178.421 176.117 -0.068 0.000 1.119 350 I CA 0.971 62.250 61.300 -0.036 0.000 1.417 350 I CB -0.415 37.584 38.000 -0.002 0.000 1.078 350 I HN -0.202 nan 8.210 nan 0.000 0.421 351 V N 0.846 120.588 119.914 -0.286 0.000 2.515 351 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 351 V C 2.239 178.238 176.094 -0.158 0.000 1.058 351 V CA 1.700 63.724 62.300 -0.461 0.000 1.064 351 V CB -0.626 30.714 31.823 -0.806 0.000 0.675 351 V HN 0.439 nan 8.190 nan 0.000 0.461 352 E N 0.201 120.331 120.200 -0.117 0.000 2.046 352 E HA -0.244 4.106 4.350 -0.000 0.000 0.190 352 E C 2.185 178.795 176.600 0.017 0.000 0.982 352 E CA 1.190 57.562 56.400 -0.047 0.000 0.800 352 E CB -0.150 29.517 29.700 -0.054 0.000 0.756 352 E HN 0.371 nan 8.360 nan 0.000 0.449 353 K N 0.836 121.250 120.400 0.023 0.000 2.283 353 K HA -0.102 4.218 4.320 -0.000 0.000 0.202 353 K C 1.765 178.424 176.600 0.097 0.000 1.048 353 K CA 0.606 56.923 56.287 0.050 0.000 0.948 353 K CB 0.082 32.606 32.500 0.041 0.000 0.742 353 K HN -0.053 nan 8.250 nan 0.000 0.458 354 V N 0.523 120.529 119.914 0.152 0.000 2.302 354 V HA -0.175 3.945 4.120 -0.000 0.000 0.243 354 V C 2.211 178.447 176.094 0.237 0.000 1.036 354 V CA 1.351 63.796 62.300 0.242 0.000 1.020 354 V CB -0.470 31.634 31.823 0.468 0.000 0.657 354 V HN 0.323 nan 8.190 nan 0.000 0.453 355 Q N 0.288 120.232 119.800 0.240 0.000 2.181 355 Q HA -0.181 4.158 4.340 -0.000 0.000 0.205 355 Q C 2.372 178.448 176.000 0.128 0.000 0.980 355 Q CA 1.844 57.767 55.803 0.199 0.000 0.862 355 Q CB -0.731 28.101 28.738 0.156 0.000 0.905 355 Q HN 0.656 nan 8.270 nan 0.000 0.429 356 A N 1.001 123.882 122.820 0.102 0.000 2.070 356 A HA -0.149 4.170 4.320 -0.000 0.000 0.220 356 A C 2.246 179.876 177.584 0.077 0.000 1.159 356 A CA 1.923 54.002 52.037 0.071 0.000 0.656 356 A CB -0.726 18.307 19.000 0.054 0.000 0.800 356 A HN 0.545 nan 8.150 nan 0.000 0.453 357 T N -4.322 110.303 114.554 0.119 0.000 3.035 357 T HA 0.318 4.667 4.350 -0.000 0.000 0.268 357 T C 1.599 176.350 174.700 0.085 0.000 1.109 357 T CA 1.225 63.416 62.100 0.152 0.000 1.119 357 T CB -0.199 68.833 68.868 0.273 0.000 0.900 357 T HN 1.665 nan 8.240 nan 0.000 0.503 358 G N 0.827 109.656 108.800 0.050 0.000 2.195 358 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.246 358 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.246 358 G C 0.076 174.918 174.900 -0.096 0.000 0.984 358 G CA 0.141 45.214 45.100 -0.046 0.000 0.633 358 G HN 0.721 nan 8.290 nan 0.000 0.525 359 H N 0.776 119.867 119.070 0.035 0.000 2.551 359 H HA 0.444 5.000 4.556 -0.000 0.000 0.358 359 H C 0.244 175.587 175.328 0.024 0.000 1.151 359 H CA 0.345 56.406 56.048 0.020 0.000 1.374 359 H CB 0.694 30.461 29.762 0.009 0.000 1.473 359 H HN 0.435 nan 8.280 nan 0.000 0.574 360 Q N 2.071 121.943 119.800 0.120 0.000 2.454 360 Q HA 0.321 4.661 4.340 -0.000 0.000 0.255 360 Q C -0.011 175.972 176.000 -0.028 0.000 1.034 360 Q CA -0.615 55.222 55.803 0.056 0.000 0.736 360 Q CB 1.899 30.660 28.738 0.040 0.000 1.210 360 Q HN 0.411 nan 8.270 nan 0.000 0.500 361 V N -0.259 119.567 119.914 -0.148 0.000 3.262 361 V HA 0.566 4.686 4.120 -0.000 0.000 0.313 361 V C 0.059 175.906 176.094 -0.411 0.000 1.070 361 V CA -0.863 61.236 62.300 -0.335 0.000 1.049 361 V CB 0.990 32.473 31.823 -0.568 0.000 1.157 361 V HN 0.587 nan 8.190 nan 0.000 0.454 362 I N 1.042 121.377 120.570 -0.392 0.000 2.336 362 I HA 0.305 4.475 4.170 -0.000 0.000 0.292 362 I C -0.935 174.957 176.117 -0.374 0.000 0.991 362 I CA -0.052 61.088 61.300 -0.268 0.000 1.227 362 I CB 1.294 39.198 38.000 -0.159 0.000 1.366 362 I HN 0.718 nan 8.210 nan 0.000 0.466 363 W N 6.507 127.802 121.300 -0.009 0.000 2.318 363 W HA 0.347 5.006 4.660 -0.000 0.000 0.362 363 W C 0.364 176.953 176.519 0.116 0.000 0.978 363 W CA -0.373 57.008 57.345 0.060 0.000 1.509 363 W CB 0.359 29.836 29.460 0.029 0.000 1.437 363 W HN 0.435 nan 8.180 nan 0.000 0.361 364 Q N 2.604 122.501 119.800 0.163 0.000 2.241 364 Q HA 0.386 4.726 4.340 -0.000 0.000 0.254 364 Q C -0.508 175.376 176.000 -0.194 0.000 0.917 364 Q CA -0.577 55.188 55.803 -0.063 0.000 0.919 364 Q CB 1.576 30.236 28.738 -0.130 0.000 1.237 364 Q HN 0.538 nan 8.270 nan 0.000 0.434 365 C N 4.102 122.999 119.300 -0.672 0.000 2.273 365 C HA 0.347 4.806 4.460 -0.000 0.000 0.328 365 C C -0.539 174.216 174.990 -0.391 0.000 1.275 365 C CA -0.536 57.956 59.018 -0.876 0.000 1.704 365 C CB 0.309 26.918 27.740 -1.886 0.000 2.326 365 C HN 0.812 nan 8.230 nan 0.000 0.517 366 D N 7.430 127.696 120.400 -0.223 0.000 2.467 366 D HA 0.328 4.968 4.640 -0.000 0.000 0.220 366 D C -1.551 174.690 176.300 -0.099 0.000 1.103 366 D CA -1.896 52.030 54.000 -0.124 0.000 0.886 366 D CB 1.417 42.176 40.800 -0.069 0.000 1.025 366 D HN 0.481 nan 8.370 nan 0.000 0.514 367 P HA 0.029 nan 4.420 nan 0.000 0.255 367 P C 1.222 178.472 177.300 -0.083 0.000 1.248 367 P CA 0.072 63.120 63.100 -0.088 0.000 0.807 367 P CB 0.469 32.107 31.700 -0.103 0.000 1.150 368 M N -0.215 119.301 119.600 -0.140 0.000 2.142 368 M HA 0.010 4.490 4.480 -0.000 0.000 0.256 368 M C 2.058 178.279 176.300 -0.133 0.000 1.098 368 M CA 1.751 56.934 55.300 -0.195 0.000 1.151 368 M CB -2.033 30.328 32.600 -0.399 0.000 1.299 368 M HN 0.078 nan 8.290 nan 0.000 0.431 369 H N 0.049 119.116 119.070 -0.004 0.000 2.518 369 H HA -0.001 4.555 4.556 -0.000 0.000 0.289 369 H C 2.106 177.448 175.328 0.023 0.000 1.051 369 H CA 1.031 57.084 56.048 0.008 0.000 1.280 369 H CB -0.481 29.272 29.762 -0.015 0.000 1.380 369 H HN 0.553 nan 8.280 nan 0.000 0.566 370 G N 0.518 109.383 108.800 0.109 0.000 2.394 370 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.214 370 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.214 370 G C 0.591 175.564 174.900 0.122 0.000 1.176 370 G CA 0.024 45.182 45.100 0.097 0.000 0.786 370 G HN 0.251 nan 8.290 nan 0.000 0.533 371 N N 1.567 120.330 118.700 0.105 0.000 2.439 371 N HA 0.362 5.101 4.740 -0.000 0.000 0.249 371 N C -1.027 174.546 175.510 0.105 0.000 1.003 371 N CA 0.188 53.316 53.050 0.131 0.000 0.942 371 N CB 1.473 40.029 38.487 0.115 0.000 1.115 371 N HN 0.223 nan 8.380 nan 0.000 0.505 372 T N -1.893 112.728 114.554 0.112 0.000 3.578 372 T HA 0.149 4.499 4.350 -0.000 0.000 0.329 372 T C 0.599 175.349 174.700 0.084 0.000 0.913 372 T CA -0.840 61.300 62.100 0.067 0.000 1.029 372 T CB 0.371 69.275 68.868 0.060 0.000 1.045 372 T HN 0.621 nan 8.240 nan 0.000 0.460 373 H N 0.663 119.772 119.070 0.064 0.000 2.563 373 H HA 0.374 4.930 4.556 -0.000 0.000 0.264 373 H C 0.781 176.135 175.328 0.044 0.000 0.957 373 H CA 0.682 56.756 56.048 0.042 0.000 1.173 373 H CB -0.039 29.741 29.762 0.030 0.000 1.420 373 H HN 1.067 nan 8.280 nan 0.000 0.551 374 E N 1.154 121.260 120.200 -0.157 0.000 2.358 374 E HA -0.238 4.112 4.350 -0.000 0.000 0.246 374 E C 0.696 177.289 176.600 -0.012 0.000 1.127 374 E CA 1.171 57.535 56.400 -0.059 0.000 0.726 374 E CB -2.780 26.938 29.700 0.029 0.000 1.272 374 E HN 1.143 nan 8.360 nan 0.000 0.390 380 K N 1.417 121.888 120.400 0.119 0.000 2.701 380 K HA 0.383 4.703 4.320 -0.000 0.000 0.212 380 K C -1.303 175.292 176.600 -0.009 0.000 1.035 380 K CA -0.462 55.860 56.287 0.058 0.000 1.048 380 K CB 1.722 34.289 32.500 0.112 0.000 1.234 380 K HN 0.464 nan 8.250 nan 0.000 0.540 381 T N 2.024 116.493 114.554 -0.143 0.000 2.907 381 T HA 0.238 4.588 4.350 -0.000 0.000 0.298 381 T C 0.043 174.590 174.700 -0.256 0.000 1.017 381 T CA -0.105 61.868 62.100 -0.211 0.000 1.118 381 T CB 0.536 69.245 68.868 -0.265 0.000 0.948 381 T HN 0.310 nan 8.240 nan 0.000 0.531 382 R N 1.687 122.166 120.500 -0.036 0.000 2.435 382 R HA 0.263 4.603 4.340 -0.000 0.000 0.308 382 R C -1.002 175.427 176.300 0.215 0.000 0.975 382 R CA -0.837 55.306 56.100 0.072 0.000 0.867 382 R CB 0.960 31.301 30.300 0.067 0.000 1.171 382 R HN 0.604 nan 8.270 nan 0.000 0.470 383 H N 2.326 121.504 119.070 0.180 0.000 2.610 383 H HA 0.037 4.593 4.556 -0.000 0.000 0.336 383 H C 0.461 175.911 175.328 0.204 0.000 1.087 383 H CA -0.493 55.680 56.048 0.209 0.000 1.405 383 H CB 0.551 30.441 29.762 0.212 0.000 1.460 383 H HN 0.560 nan 8.280 nan 0.000 0.538 384 F N 3.150 122.920 119.950 -0.301 0.000 2.069 384 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 384 F C 1.602 177.226 175.800 -0.293 0.000 1.113 384 F CA 2.063 59.920 58.000 -0.237 0.000 1.214 384 F CB -0.031 38.869 39.000 -0.166 0.000 0.978 384 F HN 0.640 nan 8.300 nan 0.000 0.474 385 D N -0.100 120.061 120.400 -0.398 0.000 2.158 385 D HA -0.195 4.445 4.640 -0.000 0.000 0.197 385 D C 2.340 178.556 176.300 -0.139 0.000 0.995 385 D CA 1.331 55.208 54.000 -0.205 0.000 0.846 385 D CB -0.309 40.428 40.800 -0.105 0.000 0.941 385 D HN 0.280 nan 8.370 nan 0.000 0.456 386 R N -0.227 120.219 120.500 -0.089 0.000 2.096 386 R HA -0.001 4.339 4.340 -0.000 0.000 0.235 386 R C 2.359 178.635 176.300 -0.041 0.000 1.127 386 R CA 0.626 56.732 56.100 0.011 0.000 0.968 386 R CB -0.140 30.223 30.300 0.106 0.000 0.861 386 R HN 0.242 nan 8.270 nan 0.000 0.440 387 I N -0.279 120.211 120.570 -0.132 0.000 2.113 387 I HA -0.285 3.885 4.170 -0.000 0.000 0.238 387 I C 2.150 178.146 176.117 -0.201 0.000 1.070 387 I CA 1.225 62.421 61.300 -0.173 0.000 1.332 387 I CB -0.318 37.523 38.000 -0.265 0.000 1.044 387 I HN -0.002 nan 8.210 nan 0.000 0.402 388 V N 1.029 120.733 119.914 -0.351 0.000 2.324 388 V HA -0.373 3.747 4.120 -0.000 0.000 0.250 388 V C 2.195 178.246 176.094 -0.072 0.000 1.060 388 V CA 2.444 64.598 62.300 -0.243 0.000 1.042 388 V CB -0.716 30.934 31.823 -0.288 0.000 0.650 388 V HN 0.505 nan 8.190 nan 0.000 0.450 389 D N -0.424 119.946 120.400 -0.050 0.000 2.144 389 D HA -0.219 4.421 4.640 -0.000 0.000 0.199 389 D C 2.223 178.557 176.300 0.057 0.000 0.984 389 D CA 1.599 55.612 54.000 0.022 0.000 0.834 389 D CB -0.059 40.764 40.800 0.038 0.000 0.955 389 D HN 0.604 nan 8.370 nan 0.000 0.465 390 E N -0.702 119.522 120.200 0.040 0.000 2.107 390 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 390 E C 1.990 178.665 176.600 0.125 0.000 0.982 390 E CA 0.773 57.214 56.400 0.068 0.000 0.809 390 E CB 0.229 29.948 29.700 0.032 0.000 0.756 390 E HN 0.149 nan 8.360 nan 0.000 0.459 391 V N 1.179 121.155 119.914 0.103 0.000 2.515 391 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 391 V C 2.421 178.778 176.094 0.439 0.000 1.058 391 V CA 1.766 64.196 62.300 0.217 0.000 1.064 391 V CB -0.604 31.318 31.823 0.165 0.000 0.675 391 V HN 0.265 nan 8.190 nan 0.000 0.461 392 Q N 1.618 121.577 119.800 0.265 0.000 2.020 392 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 392 Q C 2.247 178.407 176.000 0.267 0.000 0.982 392 Q CA 2.448 58.398 55.803 0.245 0.000 0.838 392 Q CB -1.081 27.730 28.738 0.122 0.000 0.899 392 Q HN 0.487 nan 8.270 nan 0.000 0.423 393 G N -0.308 108.609 108.800 0.196 0.000 2.418 393 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 393 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 393 G C 1.353 176.349 174.900 0.160 0.000 1.158 393 G CA 0.695 45.879 45.100 0.141 0.000 0.771 393 G HN 0.483 nan 8.290 nan 0.000 0.545 394 F N 0.833 120.819 119.950 0.060 0.000 2.091 394 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 394 F C 2.267 178.087 175.800 0.035 0.000 1.103 394 F CA 1.619 59.629 58.000 0.017 0.000 1.228 394 F CB -0.250 38.758 39.000 0.014 0.000 0.984 394 F HN 0.124 nan 8.300 nan 0.000 0.477 395 F N 1.121 121.194 119.950 0.204 0.000 2.102 395 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 395 F C 2.467 178.257 175.800 -0.016 0.000 1.105 395 F CA 2.016 60.062 58.000 0.077 0.000 1.239 395 F CB -0.897 38.184 39.000 0.134 0.000 0.991 395 F HN -0.001 nan 8.300 nan 0.000 0.474 396 E N -0.170 120.128 120.200 0.164 0.000 2.171 396 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 396 E C 2.280 178.849 176.600 -0.051 0.000 0.997 396 E CA 1.481 57.917 56.400 0.061 0.000 0.810 396 E CB -0.313 29.421 29.700 0.056 0.000 0.738 396 E HN 0.212 nan 8.360 nan 0.000 0.467 397 V N 1.086 120.904 119.914 -0.159 0.000 2.270 397 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 397 V C 2.140 178.001 176.094 -0.389 0.000 1.043 397 V CA 1.863 63.975 62.300 -0.313 0.000 1.014 397 V CB -0.647 30.899 31.823 -0.462 0.000 0.645 397 V HN 0.364 nan 8.190 nan 0.000 0.447 398 H N 0.159 119.014 119.070 -0.358 0.000 2.387 398 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 398 H C 2.611 177.848 175.328 -0.153 0.000 1.090 398 H CA 1.410 57.261 56.048 -0.328 0.000 1.332 398 H CB -0.122 29.369 29.762 -0.451 0.000 1.386 398 H HN 0.302 nan 8.280 nan 0.000 0.516 399 R N 0.749 121.264 120.500 0.025 0.000 2.080 399 R HA -0.084 4.255 4.340 -0.000 0.000 0.236 399 R C 2.513 178.814 176.300 0.003 0.000 1.137 399 R CA 1.090 57.218 56.100 0.047 0.000 0.943 399 R CB -0.895 29.450 30.300 0.075 0.000 0.846 399 R HN 0.299 nan 8.270 nan 0.000 0.431 400 A N 1.429 124.229 122.820 -0.033 0.000 1.859 400 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 400 A C 2.375 179.928 177.584 -0.052 0.000 1.198 400 A CA 1.460 53.471 52.037 -0.045 0.000 0.629 400 A CB -0.771 18.189 19.000 -0.067 0.000 0.830 400 A HN 0.239 nan 8.150 nan 0.000 0.446 401 L N -1.484 119.685 121.223 -0.090 0.000 2.376 401 L HA 0.092 4.432 4.340 -0.000 0.000 0.219 401 L C 1.760 178.608 176.870 -0.036 0.000 1.133 401 L CA 0.636 55.426 54.840 -0.085 0.000 0.816 401 L CB -0.369 41.598 42.059 -0.154 0.000 0.933 401 L HN 0.702 nan 8.230 nan 0.000 0.449 402 G N 0.299 109.092 108.800 -0.011 0.000 2.132 402 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.234 402 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.234 402 G C 0.393 175.329 174.900 0.060 0.000 0.989 402 G CA 0.377 45.493 45.100 0.028 0.000 0.676 402 G HN 0.396 nan 8.290 nan 0.000 0.522 403 T N -2.751 111.844 114.554 0.068 0.000 2.849 403 T HA 0.589 4.939 4.350 -0.000 0.000 0.276 403 T C 0.114 174.917 174.700 0.172 0.000 0.971 403 T CA -0.296 61.888 62.100 0.141 0.000 0.949 403 T CB 1.731 70.690 68.868 0.151 0.000 1.093 403 T HN 0.399 nan 8.240 nan 0.000 0.545 404 H N 1.875 120.985 119.070 0.067 0.000 2.552 404 H HA 0.295 4.850 4.556 -0.000 0.000 0.311 404 H C -2.435 172.696 175.328 -0.328 0.000 1.071 404 H CA -2.369 53.666 56.048 -0.021 0.000 1.307 404 H CB 1.217 31.015 29.762 0.059 0.000 1.416 404 H HN 0.357 nan 8.280 nan 0.000 0.464 405 P HA 0.039 nan 4.420 nan 0.000 0.273 405 P C 0.910 177.818 177.300 -0.654 0.000 1.319 405 P CA 0.108 62.576 63.100 -1.052 0.000 0.885 405 P CB 0.582 31.637 31.700 -1.075 0.000 1.015 406 G N 3.098 111.667 108.800 -0.385 0.000 2.421 406 G HA2 0.164 4.124 3.960 -0.000 0.000 0.216 406 G HA3 0.164 4.124 3.960 -0.000 0.000 0.216 406 G C 0.659 175.231 174.900 -0.546 0.000 1.171 406 G CA 0.837 45.785 45.100 -0.252 0.000 0.775 406 G HN 0.719 nan 8.290 nan 0.000 0.543 407 G N -1.082 107.350 108.800 -0.613 0.000 2.490 407 G HA2 0.507 4.467 3.960 -0.000 0.000 0.308 407 G HA3 0.507 4.467 3.960 -0.000 0.000 0.308 407 G C -1.545 173.040 174.900 -0.525 0.000 1.286 407 G CA -0.288 44.125 45.100 -1.144 0.000 0.825 407 G HN 0.845 nan 8.290 nan 0.000 0.479 408 I N -3.116 117.234 120.570 -0.367 0.000 2.969 408 I HA 0.721 4.891 4.170 -0.000 0.000 0.307 408 I C -1.401 174.622 176.117 -0.157 0.000 1.149 408 I CA -1.089 60.084 61.300 -0.212 0.000 1.008 408 I CB 2.840 40.799 38.000 -0.069 0.000 1.232 408 I HN 0.551 nan 8.210 nan 0.000 0.435 409 H N 3.646 122.578 119.070 -0.230 0.000 2.860 409 H HA 0.627 5.183 4.556 -0.000 0.000 0.312 409 H C -1.664 173.551 175.328 -0.188 0.000 0.995 409 H CA -0.267 55.648 56.048 -0.222 0.000 1.311 409 H CB 1.880 31.472 29.762 -0.283 0.000 1.478 409 H HN 0.532 nan 8.280 nan 0.000 0.508 410 V N 4.438 124.255 119.914 -0.162 0.000 2.769 410 V HA 0.276 4.395 4.120 -0.000 0.000 0.312 410 V C 0.009 176.047 176.094 -0.094 0.000 1.058 410 V CA -0.885 61.353 62.300 -0.104 0.000 0.952 410 V CB 2.315 34.084 31.823 -0.091 0.000 1.019 410 V HN 0.685 nan 8.190 nan 0.000 0.445 411 E N 4.099 124.258 120.200 -0.068 0.000 2.114 411 E HA 0.622 4.971 4.350 -0.000 0.000 0.266 411 E C -0.583 176.001 176.600 -0.026 0.000 0.896 411 E CA -0.247 56.133 56.400 -0.034 0.000 0.750 411 E CB 1.920 31.601 29.700 -0.032 0.000 1.121 411 E HN 0.676 nan 8.360 nan 0.000 0.413 412 I N -1.473 119.081 120.570 -0.026 0.000 3.660 412 I HA 0.717 4.887 4.170 -0.000 0.000 0.287 412 I C -0.318 175.777 176.117 -0.037 0.000 1.142 412 I CA -0.702 60.578 61.300 -0.033 0.000 1.121 412 I CB 2.470 40.436 38.000 -0.057 0.000 1.373 412 I HN 0.240 nan 8.210 nan 0.000 0.473 413 T N -1.199 113.314 114.554 -0.069 0.000 2.700 413 T HA 0.399 4.748 4.350 -0.000 0.000 0.307 413 T C 0.070 174.673 174.700 -0.163 0.000 1.580 413 T CA 0.003 62.036 62.100 -0.112 0.000 0.992 413 T CB 1.269 70.098 68.868 -0.065 0.000 1.577 413 T HN 0.959 nan 8.240 nan 0.000 0.496 414 G N -0.086 108.571 108.800 -0.239 0.000 2.486 414 G HA2 0.163 4.123 3.960 -0.000 0.000 0.210 414 G HA3 0.163 4.123 3.960 -0.000 0.000 0.210 414 G C 0.111 174.910 174.900 -0.169 0.000 1.168 414 G CA 0.148 45.108 45.100 -0.234 0.000 0.820 414 G HN 0.601 nan 8.290 nan 0.000 0.544 415 E N 1.349 121.465 120.200 -0.139 0.000 2.366 415 E HA 0.204 4.554 4.350 -0.000 0.000 0.266 415 E C -0.271 176.294 176.600 -0.059 0.000 1.015 415 E CA -0.218 56.135 56.400 -0.078 0.000 0.906 415 E CB 0.434 30.111 29.700 -0.038 0.000 0.979 415 E HN 0.600 nan 8.360 nan 0.000 0.443 416 N N 1.539 120.211 118.700 -0.047 0.000 2.416 416 N HA 0.114 4.853 4.740 -0.000 0.000 0.271 416 N C -0.812 174.689 175.510 -0.015 0.000 1.245 416 N CA -0.419 52.612 53.050 -0.032 0.000 0.940 416 N CB 0.536 39.010 38.487 -0.022 0.000 1.175 416 N HN 0.028 nan 8.380 nan 0.000 0.483 417 V N 1.741 121.650 119.914 -0.008 0.000 2.716 417 V HA 0.294 4.414 4.120 -0.000 0.000 0.304 417 V C 1.166 177.271 176.094 0.019 0.000 1.053 417 V CA -0.979 61.327 62.300 0.010 0.000 0.984 417 V CB 1.364 33.196 31.823 0.016 0.000 1.021 417 V HN 0.811 nan 8.190 nan 0.000 0.467 434 G N 0.343 109.128 108.800 -0.025 0.000 2.990 434 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.359 434 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.359 434 G C 0.417 175.334 174.900 0.027 0.000 0.951 434 G CA 1.424 46.524 45.100 -0.000 0.000 0.794 434 G HN 1.097 nan 8.290 nan 0.000 0.982 435 R N -0.210 120.303 120.500 0.021 0.000 2.522 435 R HA 0.362 4.702 4.340 -0.000 0.000 0.290 435 R C -1.161 175.207 176.300 0.114 0.000 1.216 435 R CA -0.189 55.941 56.100 0.050 0.000 1.250 435 R CB 0.441 30.757 30.300 0.026 0.000 1.143 435 R HN 0.486 nan 8.270 nan 0.000 0.553 436 Y N 1.897 122.186 120.300 -0.019 0.000 2.712 436 Y HA 0.145 4.695 4.550 -0.000 0.000 0.328 436 Y C 0.436 176.354 175.900 0.029 0.000 0.995 436 Y CA -0.215 57.892 58.100 0.012 0.000 1.283 436 Y CB 0.801 39.303 38.460 0.071 0.000 1.092 436 Y HN 0.485 nan 8.280 nan 0.000 0.519 437 E N 1.317 121.419 120.200 -0.164 0.000 2.340 437 E HA 0.008 4.358 4.350 -0.000 0.000 0.198 437 E C 0.682 177.108 176.600 -0.290 0.000 0.961 437 E CA 0.022 56.313 56.400 -0.181 0.000 0.905 437 E CB 0.508 30.157 29.700 -0.086 0.000 0.884 437 E HN 0.436 nan 8.360 nan 0.000 0.491 438 T N -0.097 114.238 114.554 -0.364 0.000 2.932 438 T HA 0.153 4.503 4.350 -0.000 0.000 0.312 438 T C 0.850 175.352 174.700 -0.331 0.000 1.071 438 T CA 0.226 62.154 62.100 -0.288 0.000 1.128 438 T CB 1.070 69.815 68.868 -0.204 0.000 0.984 438 T HN 0.143 nan 8.240 nan 0.000 0.549 439 A N 2.951 125.662 122.820 -0.182 0.000 2.302 439 A HA 0.358 4.678 4.320 -0.000 0.000 0.219 439 A C 1.538 179.246 177.584 0.207 0.000 1.243 439 A CA 0.071 52.054 52.037 -0.089 0.000 0.856 439 A CB -0.710 18.273 19.000 -0.030 0.000 0.893 439 A HN 0.858 nan 8.150 nan 0.000 0.491 440 C N -1.561 117.803 119.300 0.107 0.000 3.421 440 C HA 0.397 4.857 4.460 -0.000 0.000 0.102 440 C C -1.149 173.950 174.990 0.182 0.000 2.664 440 C CA -0.010 59.120 59.018 0.187 0.000 0.896 440 C CB -0.151 27.690 27.740 0.169 0.000 1.719 440 C HN 0.459 nan 8.230 nan 0.000 0.604 441 D N 1.988 122.481 120.400 0.154 0.000 2.350 441 D HA 0.428 5.067 4.640 -0.000 0.000 0.245 441 D C -2.668 173.753 176.300 0.202 0.000 1.036 441 D CA -1.157 52.972 54.000 0.215 0.000 0.848 441 D CB 1.227 42.124 40.800 0.162 0.000 1.307 441 D HN 0.272 nan 8.370 nan 0.000 0.469 442 P HA 0.133 nan 4.420 nan 0.000 0.276 442 P C 0.041 177.423 177.300 0.137 0.000 1.253 442 P CA -0.200 63.056 63.100 0.260 0.000 0.766 442 P CB 1.230 33.112 31.700 0.304 0.000 0.845 443 R N 3.977 124.534 120.500 0.095 0.000 2.471 443 R HA 0.529 4.869 4.340 -0.000 0.000 0.113 443 R C -0.267 176.079 176.300 0.075 0.000 1.392 443 R CA -0.657 55.479 56.100 0.061 0.000 1.211 443 R CB -0.169 30.150 30.300 0.031 0.000 1.102 443 R HN 0.239 nan 8.270 nan 0.000 0.430 444 L N 2.804 124.064 121.223 0.060 0.000 2.322 444 L HA 0.347 4.687 4.340 -0.000 0.000 0.279 444 L C -0.261 176.631 176.870 0.037 0.000 1.036 444 L CA -1.205 53.686 54.840 0.085 0.000 0.807 444 L CB 1.466 43.582 42.059 0.096 0.000 1.226 444 L HN 0.613 nan 8.230 nan 0.000 0.433 445 N N -0.350 118.366 118.700 0.027 0.000 2.408 445 N HA 0.037 4.777 4.740 -0.000 0.000 0.260 445 N C 0.779 176.260 175.510 -0.048 0.000 1.242 445 N CA -0.345 52.697 53.050 -0.013 0.000 0.959 445 N CB 0.461 38.940 38.487 -0.013 0.000 1.201 445 N HN 0.597 nan 8.380 nan 0.000 0.511 446 T N -0.859 113.645 114.554 -0.083 0.000 2.649 446 T HA -0.347 4.003 4.350 -0.000 0.000 0.268 446 T C 1.598 176.197 174.700 -0.168 0.000 1.036 446 T CA 2.533 64.553 62.100 -0.133 0.000 1.157 446 T CB -0.302 68.474 68.868 -0.153 0.000 0.861 446 T HN 0.682 nan 8.240 nan 0.000 0.445 447 Q N -0.165 119.550 119.800 -0.143 0.000 1.967 447 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 447 Q C 2.489 178.397 176.000 -0.153 0.000 0.985 447 Q CA 1.845 57.532 55.803 -0.192 0.000 0.839 447 Q CB -0.297 28.423 28.738 -0.030 0.000 0.906 447 Q HN 0.649 nan 8.270 nan 0.000 0.423 448 Q N -0.010 119.755 119.800 -0.059 0.000 2.197 448 Q HA -0.185 4.155 4.340 -0.000 0.000 0.207 448 Q C 2.220 178.317 176.000 0.161 0.000 0.984 448 Q CA 1.847 57.662 55.803 0.020 0.000 0.869 448 Q CB -0.048 28.733 28.738 0.071 0.000 0.906 448 Q HN 0.576 nan 8.270 nan 0.000 0.426 449 S N -0.064 115.658 115.700 0.036 0.000 2.414 449 S HA -0.082 4.387 4.470 -0.000 0.000 0.227 449 S C 1.821 176.394 174.600 -0.045 0.000 1.022 449 S CA 0.477 58.689 58.200 0.019 0.000 0.958 449 S CB -0.220 62.958 63.200 -0.037 0.000 0.797 449 S HN 0.279 nan 8.310 nan 0.000 0.493 450 L N 2.214 123.347 121.223 -0.151 0.000 2.056 450 L HA 0.111 4.451 4.340 -0.000 0.000 0.207 450 L C 2.528 179.346 176.870 -0.087 0.000 1.078 450 L CA 2.089 56.793 54.840 -0.228 0.000 0.749 450 L CB -0.937 40.828 42.059 -0.490 0.000 0.901 450 L HN 0.465 nan 8.230 nan 0.000 0.433 451 E N -0.852 119.337 120.200 -0.017 0.000 2.110 451 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 451 E C 2.153 178.878 176.600 0.209 0.000 0.988 451 E CA 1.294 57.780 56.400 0.143 0.000 0.804 451 E CB -0.182 29.664 29.700 0.242 0.000 0.745 451 E HN 0.442 nan 8.360 nan 0.000 0.458 452 L N 0.500 121.874 121.223 0.252 0.000 2.141 452 L HA -0.006 4.334 4.340 -0.000 0.000 0.209 452 L C 2.110 179.010 176.870 0.050 0.000 1.094 452 L CA 1.871 56.815 54.840 0.173 0.000 0.763 452 L CB -0.479 41.636 42.059 0.093 0.000 0.908 452 L HN 0.137 nan 8.230 nan 0.000 0.437 453 A N -1.205 121.603 122.820 -0.020 0.000 1.969 453 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 453 A C 2.038 179.531 177.584 -0.151 0.000 1.169 453 A CA 1.498 53.469 52.037 -0.110 0.000 0.635 453 A CB -0.873 18.006 19.000 -0.201 0.000 0.810 453 A HN 0.430 nan 8.150 nan 0.000 0.445 454 F N 0.047 119.898 119.950 -0.166 0.000 2.113 454 F HA -0.070 4.457 4.527 -0.000 0.000 0.297 454 F C 2.143 177.898 175.800 -0.074 0.000 1.103 454 F CA 1.438 59.311 58.000 -0.212 0.000 1.248 454 F CB -0.527 38.044 39.000 -0.716 0.000 0.999 454 F HN 0.083 nan 8.300 nan 0.000 0.475 455 L N -0.766 120.560 121.223 0.171 0.000 2.012 455 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 455 L C 2.279 179.173 176.870 0.040 0.000 1.073 455 L CA 0.906 55.844 54.840 0.165 0.000 0.748 455 L CB -0.932 41.233 42.059 0.177 0.000 0.891 455 L HN -0.047 nan 8.230 nan 0.000 0.431 456 V N -0.120 119.791 119.914 -0.004 0.000 2.759 456 V HA -0.208 3.912 4.120 -0.000 0.000 0.256 456 V C 2.631 178.620 176.094 -0.174 0.000 1.080 456 V CA 1.458 63.703 62.300 -0.092 0.000 1.101 456 V CB -0.684 31.137 31.823 -0.003 0.000 0.698 456 V HN 0.463 nan 8.190 nan 0.000 0.477 457 A N -0.282 122.480 122.820 -0.097 0.000 1.930 457 A HA -0.143 4.176 4.320 -0.000 0.000 0.217 457 A C 2.168 179.707 177.584 -0.074 0.000 1.175 457 A CA 1.274 53.252 52.037 -0.097 0.000 0.627 457 A CB -0.273 18.707 19.000 -0.032 0.000 0.815 457 A HN 0.510 nan 8.150 nan 0.000 0.443 458 E N -0.279 119.909 120.200 -0.019 0.000 2.274 458 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 458 E C 1.880 178.410 176.600 -0.116 0.000 0.996 458 E CA 0.931 57.322 56.400 -0.015 0.000 0.840 458 E CB -0.357 29.376 29.700 0.056 0.000 0.772 458 E HN 0.737 nan 8.360 nan 0.000 0.491 459 M N 0.028 119.479 119.600 -0.247 0.000 2.254 459 M HA -0.074 4.406 4.480 -0.000 0.000 0.265 459 M C 1.792 177.797 176.300 -0.491 0.000 1.066 459 M CA 0.739 55.771 55.300 -0.446 0.000 1.123 459 M CB 0.032 32.143 32.600 -0.816 0.000 1.388 459 M HN 0.035 nan 8.290 nan 0.000 0.425 460 L N -0.145 120.831 121.223 -0.412 0.000 2.217 460 L HA -0.070 4.270 4.340 -0.000 0.000 0.211 460 L C 2.297 179.094 176.870 -0.121 0.000 1.107 460 L CA 1.604 56.298 54.840 -0.243 0.000 0.783 460 L CB -1.211 40.703 42.059 -0.242 0.000 0.919 460 L HN 0.291 nan 8.230 nan 0.000 0.442 461 R N -0.373 120.062 120.500 -0.109 0.000 2.092 461 R HA -0.085 4.255 4.340 -0.000 0.000 0.231 461 R C 0.362 176.639 176.300 -0.038 0.000 1.119 461 R CA 0.629 56.694 56.100 -0.058 0.000 0.970 461 R CB 0.024 30.308 30.300 -0.027 0.000 0.864 461 R HN 0.353 nan 8.270 nan 0.000 0.440 462 D N 0.000 120.373 120.400 -0.045 0.000 6.856 462 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 462 D CA 0.000 53.989 54.000 -0.019 0.000 0.868 462 D CB 0.000 40.788 40.800 -0.019 0.000 0.688 462 D HN 0.000 nan 8.370 nan 0.000 0.683