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 3ofn_1_J DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LILEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAF AQXXSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT 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 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.460 175.510 -0.083 0.000 1.280 26 N CA 0.000 53.011 53.050 -0.065 0.000 0.885 26 N CB 0.000 38.454 38.487 -0.055 0.000 1.341 27 L N 0.345 121.506 121.223 -0.104 0.000 3.704 27 L HA -0.257 4.084 4.340 0.000 0.000 0.396 27 L C 0.748 177.570 176.870 -0.079 0.000 0.713 27 L CA 1.573 56.333 54.840 -0.133 0.000 2.823 27 L CB -1.732 40.218 42.059 -0.181 0.000 0.891 27 L HN 0.343 nan 8.230 nan 0.000 0.687 28 N N 0.408 119.075 118.700 -0.055 0.000 2.173 28 N HA -0.075 4.665 4.740 0.000 0.000 0.184 28 N C 1.391 176.880 175.510 -0.035 0.000 1.025 28 N CA 1.645 54.675 53.050 -0.033 0.000 0.852 28 N CB 0.079 38.551 38.487 -0.025 0.000 0.998 28 N HN 0.531 nan 8.380 nan 0.000 0.427 29 E N 0.062 120.236 120.200 -0.043 0.000 2.340 29 E HA 0.061 4.411 4.350 0.000 0.000 0.198 29 E C 0.895 177.458 176.600 -0.062 0.000 0.961 29 E CA 0.371 56.744 56.400 -0.046 0.000 0.905 29 E CB 0.091 29.768 29.700 -0.039 0.000 0.884 29 E HN 0.404 nan 8.360 nan 0.000 0.491 30 T N -1.446 113.066 114.554 -0.071 0.000 2.889 30 T HA 0.762 5.112 4.350 0.000 0.000 0.278 30 T C 0.481 175.124 174.700 -0.094 0.000 0.995 30 T CA -0.546 61.503 62.100 -0.085 0.000 0.966 30 T CB 2.122 70.942 68.868 -0.080 0.000 1.237 30 T HN 0.062 nan 8.240 nan 0.000 0.591 31 G N -0.347 108.395 108.800 -0.097 0.000 2.698 31 G HA2 0.573 4.533 3.960 0.000 0.000 0.293 31 G HA3 0.573 4.533 3.960 0.000 0.000 0.293 31 G C -1.652 173.215 174.900 -0.055 0.000 1.437 31 G CA -1.005 44.046 45.100 -0.082 0.000 0.852 31 G HN 0.568 nan 8.290 nan 0.000 0.499 32 R N 0.292 120.775 120.500 -0.028 0.000 2.393 32 R HA 0.508 4.848 4.340 0.000 0.000 0.310 32 R C -0.116 176.244 176.300 0.100 0.000 0.968 32 R CA -0.887 55.227 56.100 0.024 0.000 0.867 32 R CB 1.648 31.947 30.300 -0.002 0.000 1.124 32 R HN 0.332 nan 8.270 nan 0.000 0.450 33 V N 5.549 125.528 119.914 0.109 0.000 2.529 33 V HA -0.000 4.120 4.120 0.000 0.000 0.292 33 V C 1.700 177.857 176.094 0.106 0.000 1.028 33 V CA 0.425 62.804 62.300 0.133 0.000 1.074 33 V CB 0.542 32.454 31.823 0.147 0.000 0.958 33 V HN 0.654 nan 8.190 nan 0.000 0.481 34 L N 4.344 125.628 121.223 0.102 0.000 2.286 34 L HA 0.486 4.826 4.340 0.000 0.000 0.203 34 L C 0.860 177.760 176.870 0.049 0.000 1.068 34 L CA 0.961 55.849 54.840 0.080 0.000 0.811 34 L CB 0.062 42.165 42.059 0.073 0.000 0.989 34 L HN 0.749 nan 8.230 nan 0.000 0.467 35 A N -0.843 122.003 122.820 0.042 0.000 2.604 35 A HA 0.654 4.975 4.320 0.000 0.000 0.295 35 A C -1.754 175.835 177.584 0.009 0.000 1.067 35 A CA -0.352 51.697 52.037 0.020 0.000 0.683 35 A CB 1.971 20.977 19.000 0.010 0.000 1.281 35 A HN -0.204 nan 8.150 nan 0.000 0.407 36 V N 0.173 120.080 119.914 -0.011 0.000 2.925 36 V HA 0.969 5.089 4.120 0.000 0.000 0.311 36 V C -0.008 176.063 176.094 -0.038 0.000 1.104 36 V CA 0.775 63.052 62.300 -0.038 0.000 0.954 36 V CB 2.178 33.956 31.823 -0.075 0.000 1.022 36 V HN 2.413 nan 8.190 nan 0.000 0.427 37 G N 2.869 111.642 108.800 -0.045 0.000 2.384 37 G HA2 0.473 4.433 3.960 0.000 0.000 0.300 37 G HA3 0.473 4.433 3.960 0.000 0.000 0.300 37 G C -0.781 174.098 174.900 -0.034 0.000 1.582 37 G CA 0.124 45.203 45.100 -0.036 0.000 0.875 37 G HN 0.861 nan 8.290 nan 0.000 0.628 38 D N -0.818 119.565 120.400 -0.028 0.000 3.012 38 D HA -0.149 4.491 4.640 0.000 0.000 0.222 38 D C 1.638 177.925 176.300 -0.021 0.000 1.167 38 D CA 3.054 57.041 54.000 -0.021 0.000 0.854 38 D CB -1.192 39.596 40.800 -0.020 0.000 1.107 38 D HN 2.331 nan 8.370 nan 0.000 0.421 39 G N -0.721 108.059 108.800 -0.033 0.000 2.176 39 G HA2 -0.276 3.684 3.960 0.000 0.000 0.252 39 G HA3 -0.276 3.684 3.960 0.000 0.000 0.252 39 G C 0.128 175.004 174.900 -0.041 0.000 1.024 39 G CA 0.447 45.526 45.100 -0.035 0.000 0.755 39 G HN 0.497 nan 8.290 nan 0.000 0.507 40 I N -0.168 120.375 120.570 -0.046 0.000 2.569 40 I HA 0.774 4.944 4.170 0.000 0.000 0.296 40 I C 0.253 176.343 176.117 -0.044 0.000 1.028 40 I CA -1.133 60.145 61.300 -0.037 0.000 1.082 40 I CB 1.719 39.706 38.000 -0.023 0.000 1.264 40 I HN 0.445 nan 8.210 nan 0.000 0.429 41 A N 6.306 129.115 122.820 -0.018 0.000 2.335 41 A HA 0.724 5.044 4.320 0.000 0.000 0.304 41 A C -0.401 177.226 177.584 0.071 0.000 1.118 41 A CA -0.716 51.329 52.037 0.014 0.000 0.757 41 A CB 1.073 20.074 19.000 0.001 0.000 1.188 41 A HN 0.719 nan 8.150 nan 0.000 0.460 42 R N 1.149 121.684 120.500 0.058 0.000 2.254 42 R HA 0.577 4.918 4.340 0.000 0.000 0.318 42 R C -1.084 175.272 176.300 0.094 0.000 1.031 42 R CA -0.236 55.900 56.100 0.061 0.000 0.905 42 R CB 1.594 31.912 30.300 0.032 0.000 1.050 42 R HN 0.451 nan 8.270 nan 0.000 0.456 43 V N 4.673 124.650 119.914 0.104 0.000 2.588 43 V HA 0.291 4.411 4.120 0.000 0.000 0.304 43 V C -0.453 175.747 176.094 0.178 0.000 1.042 43 V CA -0.877 61.502 62.300 0.133 0.000 0.877 43 V CB 1.780 33.667 31.823 0.107 0.000 0.996 43 V HN 0.662 nan 8.190 nan 0.000 0.425 44 F N 4.304 124.261 119.950 0.012 0.000 2.412 44 F HA 0.594 5.121 4.527 0.000 0.000 0.348 44 F C 1.061 176.858 175.800 -0.006 0.000 1.102 44 F CA 1.068 59.070 58.000 0.003 0.000 1.196 44 F CB 1.013 40.016 39.000 0.005 0.000 1.144 44 F HN 0.854 nan 8.300 nan 0.000 0.541 45 G N 4.348 113.491 108.800 0.572 0.000 2.578 45 G HA2 -0.253 3.707 3.960 0.000 0.000 0.232 45 G HA3 -0.253 3.707 3.960 0.000 0.000 0.232 45 G C 0.067 175.015 174.900 0.079 0.000 1.176 45 G CA -0.417 44.749 45.100 0.111 0.000 0.968 45 G HN 1.113 nan 8.290 nan 0.000 0.583 46 L N 0.270 121.491 121.223 -0.004 0.000 3.879 46 L HA -0.210 4.130 4.340 0.000 0.000 0.481 46 L C 1.484 178.359 176.870 0.008 0.000 1.232 46 L CA 0.532 55.364 54.840 -0.013 0.000 0.736 46 L CB -1.321 40.725 42.059 -0.021 0.000 1.511 46 L HN 0.621 nan 8.230 nan 0.000 0.830 47 N N 0.261 118.968 118.700 0.011 0.000 2.309 47 N HA -0.078 4.662 4.740 0.000 0.000 0.182 47 N C 1.269 176.786 175.510 0.012 0.000 1.018 47 N CA 1.221 54.285 53.050 0.024 0.000 0.876 47 N CB -0.007 38.497 38.487 0.028 0.000 0.972 47 N HN 0.570 nan 8.380 nan 0.000 0.434 48 N N 0.866 119.566 118.700 -0.000 0.000 2.398 48 N HA 0.101 4.841 4.740 0.000 0.000 0.188 48 N C 0.468 175.976 175.510 -0.003 0.000 1.122 48 N CA -0.095 52.954 53.050 -0.002 0.000 0.866 48 N CB 0.502 38.985 38.487 -0.007 0.000 0.970 48 N HN 0.295 nan 8.380 nan 0.000 0.462 49 I N 1.729 122.296 120.570 -0.005 0.000 2.710 49 I HA -0.127 4.043 4.170 0.000 0.000 0.286 49 I C -0.007 176.111 176.117 0.001 0.000 1.181 49 I CA 0.035 61.331 61.300 -0.007 0.000 1.430 49 I CB 0.470 38.462 38.000 -0.014 0.000 1.367 49 I HN 0.104 nan 8.210 nan 0.000 0.577 50 Q N 6.163 125.965 119.800 0.003 0.000 2.230 50 Q HA 0.551 4.891 4.340 0.000 0.000 0.248 50 Q C -0.007 176.000 176.000 0.012 0.000 0.915 50 Q CA -0.897 54.911 55.803 0.008 0.000 0.900 50 Q CB 1.134 29.877 28.738 0.009 0.000 1.229 50 Q HN 0.767 nan 8.270 nan 0.000 0.439 51 A N 2.220 125.049 122.820 0.015 0.000 2.565 51 A HA -0.055 4.265 4.320 0.000 0.000 0.237 51 A C 0.185 177.783 177.584 0.025 0.000 1.053 51 A CA 0.334 52.383 52.037 0.021 0.000 0.755 51 A CB -0.272 18.742 19.000 0.023 0.000 0.980 51 A HN 0.927 nan 8.150 nan 0.000 0.506 52 E N -0.626 119.593 120.200 0.031 0.000 2.694 52 E HA -0.194 4.156 4.350 0.000 0.000 0.272 52 E C 0.004 176.632 176.600 0.047 0.000 1.040 52 E CA 1.116 57.544 56.400 0.046 0.000 0.809 52 E CB -1.508 28.218 29.700 0.044 0.000 1.389 52 E HN 0.901 nan 8.360 nan 0.000 0.413 53 E N 0.910 121.128 120.200 0.030 0.000 2.216 53 E HA 0.365 4.715 4.350 0.000 0.000 0.279 53 E C -0.251 176.360 176.600 0.020 0.000 0.997 53 E CA -0.707 55.708 56.400 0.025 0.000 0.817 53 E CB 0.877 30.581 29.700 0.006 0.000 1.096 53 E HN 0.062 nan 8.360 nan 0.000 0.393 54 L N 4.282 125.530 121.223 0.043 0.000 2.461 54 L HA 0.138 4.478 4.340 0.000 0.000 0.272 54 L C -0.498 176.356 176.870 -0.026 0.000 1.197 54 L CA 0.325 55.192 54.840 0.045 0.000 0.836 54 L CB 1.201 43.327 42.059 0.112 0.000 1.105 54 L HN 0.437 nan 8.230 nan 0.000 0.477 55 V N 0.156 120.024 119.914 -0.077 0.000 2.962 55 V HA 0.640 4.760 4.120 0.000 0.000 0.313 55 V C -0.789 175.207 176.094 -0.163 0.000 1.099 55 V CA -0.882 61.312 62.300 -0.176 0.000 0.971 55 V CB 1.832 33.449 31.823 -0.345 0.000 1.028 55 V HN 0.775 nan 8.190 nan 0.000 0.430 56 E N 1.600 121.683 120.200 -0.195 0.000 2.176 56 E HA 0.549 4.899 4.350 0.000 0.000 0.267 56 E C -1.656 174.836 176.600 -0.180 0.000 0.893 56 E CA -0.609 55.739 56.400 -0.085 0.000 0.761 56 E CB 1.533 31.224 29.700 -0.016 0.000 1.133 56 E HN 0.639 nan 8.360 nan 0.000 0.409 57 F N 1.404 121.355 119.950 0.001 0.000 2.380 57 F HA 0.156 4.683 4.527 0.000 0.000 0.319 57 F C 1.976 177.779 175.800 0.004 0.000 1.113 57 F CA -0.228 57.771 58.000 -0.002 0.000 1.056 57 F CB 1.111 40.107 39.000 -0.005 0.000 1.289 57 F HN 0.478 nan 8.300 nan 0.000 0.515 58 S N 0.408 116.233 115.700 0.208 0.000 2.380 58 S HA -0.267 4.204 4.470 0.000 0.000 0.229 58 S C 2.278 176.938 174.600 0.100 0.000 1.050 58 S CA 2.199 60.468 58.200 0.115 0.000 1.100 58 S CB -0.608 62.651 63.200 0.099 0.000 0.984 58 S HN 0.767 nan 8.310 nan 0.000 0.434 59 S N -0.077 115.690 115.700 0.112 0.000 2.383 59 S HA 0.080 4.550 4.470 0.000 0.000 0.229 59 S C 1.720 176.368 174.600 0.080 0.000 1.030 59 S CA 1.564 59.809 58.200 0.075 0.000 1.002 59 S CB -0.567 62.664 63.200 0.053 0.000 0.829 59 S HN 0.947 nan 8.310 nan 0.000 0.467 60 G N -0.123 108.745 108.800 0.114 0.000 2.624 60 G HA2 -0.150 3.810 3.960 0.000 0.000 0.190 60 G HA3 -0.150 3.810 3.960 0.000 0.000 0.190 60 G C 0.096 175.079 174.900 0.138 0.000 1.008 60 G CA -0.168 44.995 45.100 0.105 0.000 0.731 60 G HN 0.786 nan 8.290 nan 0.000 0.478 61 V N 2.501 122.507 119.914 0.153 0.000 2.763 61 V HA 0.429 4.549 4.120 0.000 0.000 0.306 61 V C 0.461 176.729 176.094 0.290 0.000 1.059 61 V CA 0.377 62.781 62.300 0.173 0.000 1.138 61 V CB 0.975 32.847 31.823 0.082 0.000 0.940 61 V HN 0.309 nan 8.190 nan 0.000 0.489 62 K N 4.322 124.892 120.400 0.285 0.000 2.166 62 K HA 0.762 5.082 4.320 0.000 0.000 0.245 62 K C -0.084 176.564 176.600 0.080 0.000 0.967 62 K CA -0.270 56.184 56.287 0.278 0.000 0.863 62 K CB 1.963 34.672 32.500 0.348 0.000 1.107 62 K HN 0.886 nan 8.250 nan 0.000 0.436 63 G N 0.860 109.587 108.800 -0.122 0.000 2.690 63 G HA2 0.576 4.536 3.960 0.000 0.000 0.291 63 G HA3 0.576 4.536 3.960 0.000 0.000 0.291 63 G C -1.168 173.414 174.900 -0.529 0.000 1.403 63 G CA -0.961 43.809 45.100 -0.550 0.000 0.864 63 G HN 0.568 nan 8.290 nan 0.000 0.480 64 M N 0.413 119.666 119.600 -0.578 0.000 2.456 64 M HA 0.833 5.313 4.480 0.000 0.000 0.324 64 M C -0.151 176.102 176.300 -0.078 0.000 1.124 64 M CA -0.940 54.258 55.300 -0.169 0.000 0.959 64 M CB 2.475 35.104 32.600 0.049 0.000 1.692 64 M HN 0.651 nan 8.290 nan 0.000 0.444 65 A N 3.933 126.737 122.820 -0.027 0.000 2.347 65 A HA 0.537 4.857 4.320 0.000 0.000 0.287 65 A C 0.294 177.886 177.584 0.014 0.000 1.199 65 A CA -0.640 51.393 52.037 -0.006 0.000 0.851 65 A CB -0.094 18.901 19.000 -0.007 0.000 1.118 65 A HN 1.094 nan 8.150 nan 0.000 0.525 66 L N 2.454 123.685 121.223 0.014 0.000 2.575 66 L HA 0.349 4.689 4.340 0.000 0.000 0.228 66 L C -0.032 176.852 176.870 0.023 0.000 1.075 66 L CA 0.576 55.430 54.840 0.024 0.000 0.867 66 L CB 0.222 42.291 42.059 0.018 0.000 1.097 66 L HN 0.614 nan 8.230 nan 0.000 0.485 67 I N 0.870 121.450 120.570 0.016 0.000 2.418 67 I HA 0.263 4.433 4.170 0.000 0.000 0.287 67 I C -0.982 175.143 176.117 0.014 0.000 1.008 67 I CA -0.294 61.014 61.300 0.014 0.000 1.104 67 I CB 1.995 40.000 38.000 0.008 0.000 1.264 67 I HN -0.093 nan 8.210 nan 0.000 0.438 68 L N 7.035 128.267 121.223 0.014 0.000 2.294 68 L HA 0.552 4.892 4.340 0.000 0.000 0.283 68 L C -0.300 176.576 176.870 0.009 0.000 1.015 68 L CA -0.399 54.449 54.840 0.014 0.000 0.831 68 L CB 1.011 43.080 42.059 0.015 0.000 1.217 68 L HN 0.568 nan 8.230 nan 0.000 0.420 69 E N 2.981 123.184 120.200 0.004 0.000 2.320 69 E HA 0.377 4.727 4.350 0.000 0.000 0.264 69 E C -1.813 174.781 176.600 -0.011 0.000 0.923 69 E CA -1.783 54.613 56.400 -0.006 0.000 0.796 69 E CB 2.161 31.853 29.700 -0.014 0.000 1.262 69 E HN 0.248 nan 8.360 nan 0.000 0.428 70 P HA -0.258 nan 4.420 nan 0.000 0.210 70 P C 1.237 178.504 177.300 -0.055 0.000 1.151 70 P CA 1.842 64.925 63.100 -0.028 0.000 0.949 70 P CB -0.144 31.534 31.700 -0.036 0.000 0.786 71 G N -0.928 107.810 108.800 -0.103 0.000 2.421 71 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 71 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 71 G C 0.712 175.499 174.900 -0.188 0.000 1.171 71 G CA 0.765 45.737 45.100 -0.214 0.000 0.775 71 G HN 0.519 nan 8.290 nan 0.000 0.543 72 Q N -0.833 118.923 119.800 -0.074 0.000 2.553 72 Q HA 0.568 4.908 4.340 0.000 0.000 0.293 72 Q C -1.855 174.159 176.000 0.023 0.000 1.038 72 Q CA -0.746 55.054 55.803 -0.005 0.000 0.777 72 Q CB 1.951 30.680 28.738 -0.017 0.000 1.487 72 Q HN 0.019 nan 8.270 nan 0.000 0.426 73 V N 0.139 120.082 119.914 0.048 0.000 2.630 73 V HA 0.744 4.864 4.120 0.000 0.000 0.305 73 V C 0.270 176.386 176.094 0.036 0.000 1.046 73 V CA -0.239 62.083 62.300 0.036 0.000 0.934 73 V CB 1.603 33.447 31.823 0.034 0.000 1.003 73 V HN 0.846 nan 8.190 nan 0.000 0.451 74 G N 3.579 112.394 108.800 0.025 0.000 2.422 74 G HA2 0.727 4.687 3.960 0.000 0.000 0.317 74 G HA3 0.727 4.687 3.960 0.000 0.000 0.317 74 G C -1.013 173.901 174.900 0.022 0.000 1.210 74 G CA -0.377 44.737 45.100 0.024 0.000 0.930 74 G HN 0.585 nan 8.290 nan 0.000 0.468 75 I N 2.734 123.327 120.570 0.038 0.000 2.418 75 I HA 0.212 4.382 4.170 0.000 0.000 0.287 75 I C 0.267 176.382 176.117 -0.004 0.000 1.008 75 I CA -1.207 60.111 61.300 0.030 0.000 1.104 75 I CB 2.351 40.410 38.000 0.099 0.000 1.264 75 I HN 0.383 nan 8.210 nan 0.000 0.438 76 V N 5.793 125.676 119.914 -0.052 0.000 2.439 76 V HA 0.335 4.455 4.120 0.000 0.000 0.271 76 V C 0.192 176.185 176.094 -0.169 0.000 1.040 76 V CA -0.496 61.763 62.300 -0.068 0.000 1.002 76 V CB 0.182 31.993 31.823 -0.020 0.000 1.000 76 V HN 0.500 nan 8.190 nan 0.000 0.477 77 L N 4.557 125.711 121.223 -0.115 0.000 2.439 77 L HA 0.297 4.637 4.340 0.000 0.000 0.269 77 L C 0.878 177.748 176.870 0.000 0.000 1.179 77 L CA -0.159 54.597 54.840 -0.141 0.000 0.828 77 L CB 0.329 42.303 42.059 -0.142 0.000 1.106 77 L HN 0.584 nan 8.230 nan 0.000 0.467 78 F N 0.385 120.372 119.950 0.061 0.000 2.749 78 F HA 0.264 4.791 4.527 0.000 0.000 0.300 78 F C 1.229 177.052 175.800 0.039 0.000 1.103 78 F CA -0.427 57.611 58.000 0.063 0.000 1.342 78 F CB -0.194 38.856 39.000 0.083 0.000 1.098 78 F HN 0.461 nan 8.300 nan 0.000 0.586 79 G N -1.214 107.688 108.800 0.171 0.000 3.211 79 G HA2 0.375 4.335 3.960 0.000 0.000 0.262 79 G HA3 0.375 4.335 3.960 0.000 0.000 0.262 79 G C -0.885 174.033 174.900 0.030 0.000 1.352 79 G CA -0.576 44.579 45.100 0.091 0.000 1.004 79 G HN -0.107 nan 8.290 nan 0.000 0.559 80 S N -0.058 115.649 115.700 0.011 0.000 2.528 80 S HA 0.214 4.684 4.470 0.000 0.000 0.277 80 S C 0.967 175.537 174.600 -0.050 0.000 1.297 80 S CA -0.365 57.829 58.200 -0.011 0.000 1.052 80 S CB 0.578 63.776 63.200 -0.003 0.000 0.917 80 S HN 0.478 nan 8.310 nan 0.000 0.492 81 D N 3.910 124.273 120.400 -0.062 0.000 2.392 81 D HA -0.117 4.523 4.640 0.000 0.000 0.228 81 D C 1.576 177.827 176.300 -0.082 0.000 1.003 81 D CA 0.230 54.170 54.000 -0.100 0.000 0.917 81 D CB -0.212 40.533 40.800 -0.091 0.000 0.890 81 D HN 0.601 nan 8.370 nan 0.000 0.532 82 R N 0.819 121.287 120.500 -0.052 0.000 2.105 82 R HA -0.085 4.255 4.340 0.000 0.000 0.239 82 R C 1.701 177.976 176.300 -0.043 0.000 1.135 82 R CA 0.934 57.012 56.100 -0.038 0.000 0.967 82 R CB -0.267 30.020 30.300 -0.021 0.000 0.861 82 R HN 0.207 nan 8.270 nan 0.000 0.442 83 L N 0.519 121.708 121.223 -0.056 0.000 2.599 83 L HA 0.152 4.492 4.340 0.000 0.000 0.230 83 L C -0.214 176.609 176.870 -0.077 0.000 1.141 83 L CA -0.228 54.583 54.840 -0.049 0.000 0.877 83 L CB 0.643 42.681 42.059 -0.034 0.000 1.009 83 L HN -0.074 nan 8.230 nan 0.000 0.447 84 V N 0.027 119.862 119.914 -0.131 0.000 2.435 84 V HA 0.345 4.465 4.120 0.000 0.000 0.290 84 V C 0.043 176.091 176.094 -0.077 0.000 1.030 84 V CA -0.820 61.385 62.300 -0.158 0.000 0.881 84 V CB 1.714 33.321 31.823 -0.360 0.000 0.983 84 V HN 0.103 nan 8.190 nan 0.000 0.445 85 K N 1.990 122.374 120.400 -0.026 0.000 2.295 85 K HA 0.482 4.802 4.320 0.000 0.000 0.239 85 K C -0.306 176.304 176.600 0.015 0.000 0.991 85 K CA -0.860 55.424 56.287 -0.006 0.000 0.845 85 K CB 2.365 34.868 32.500 0.005 0.000 1.197 85 K HN 0.744 nan 8.250 nan 0.000 0.441 86 E N -0.018 120.192 120.200 0.016 0.000 2.398 86 E HA 0.040 4.390 4.350 0.000 0.000 0.263 86 E C 0.469 177.092 176.600 0.038 0.000 1.046 86 E CA 0.966 57.383 56.400 0.029 0.000 0.908 86 E CB 0.497 30.210 29.700 0.022 0.000 0.963 86 E HN 0.783 nan 8.360 nan 0.000 0.431 87 G N 3.219 112.049 108.800 0.050 0.000 2.184 87 G HA2 -0.326 3.634 3.960 0.000 0.000 0.264 87 G HA3 -0.326 3.634 3.960 0.000 0.000 0.264 87 G C 0.366 175.294 174.900 0.047 0.000 0.975 87 G CA 0.682 45.810 45.100 0.047 0.000 0.642 87 G HN 0.623 nan 8.290 nan 0.000 0.536 88 E N -0.811 119.427 120.200 0.064 0.000 2.397 88 E HA 0.532 4.882 4.350 0.000 0.000 0.254 88 E C 0.151 176.795 176.600 0.074 0.000 1.231 88 E CA -0.669 55.776 56.400 0.075 0.000 0.954 88 E CB 0.464 30.228 29.700 0.107 0.000 1.024 88 E HN 0.300 nan 8.360 nan 0.000 0.481 89 L N 1.783 123.044 121.223 0.064 0.000 2.295 89 L HA 0.342 4.682 4.340 0.000 0.000 0.285 89 L C -1.373 175.490 176.870 -0.011 0.000 1.035 89 L CA -0.492 54.358 54.840 0.017 0.000 0.806 89 L CB 1.526 43.584 42.059 -0.001 0.000 1.214 89 L HN 0.175 nan 8.230 nan 0.000 0.426 90 V N 4.167 124.024 119.914 -0.095 0.000 2.540 90 V HA 0.548 4.668 4.120 0.000 0.000 0.302 90 V C -0.403 175.565 176.094 -0.210 0.000 1.035 90 V CA -0.868 61.271 62.300 -0.269 0.000 0.873 90 V CB 1.531 33.120 31.823 -0.391 0.000 0.992 90 V HN 0.693 nan 8.190 nan 0.000 0.428 91 K N 3.422 123.689 120.400 -0.222 0.000 2.207 91 K HA 0.662 4.982 4.320 0.000 0.000 0.255 91 K C -0.234 176.277 176.600 -0.148 0.000 0.941 91 K CA -0.761 55.440 56.287 -0.143 0.000 0.825 91 K CB 2.117 34.561 32.500 -0.095 0.000 1.119 91 K HN 0.557 nan 8.250 nan 0.000 0.430 92 R N 0.082 120.521 120.500 -0.101 0.000 2.637 92 R HA 0.102 4.442 4.340 0.000 0.000 0.269 92 R C 0.919 177.188 176.300 -0.053 0.000 1.089 92 R CA 0.167 56.221 56.100 -0.077 0.000 1.177 92 R CB 0.499 30.767 30.300 -0.053 0.000 1.091 92 R HN 0.867 nan 8.270 nan 0.000 0.540 93 T N -3.253 111.280 114.554 -0.034 0.000 3.004 93 T HA 0.171 4.522 4.350 0.000 0.000 0.266 93 T C 1.268 175.966 174.700 -0.005 0.000 0.986 93 T CA 0.288 62.380 62.100 -0.013 0.000 0.902 93 T CB 0.654 69.523 68.868 0.003 0.000 1.118 93 T HN 0.806 nan 8.240 nan 0.000 0.522 94 G N 2.236 111.032 108.800 -0.008 0.000 2.175 94 G HA2 -0.249 3.711 3.960 0.000 0.000 0.265 94 G HA3 -0.249 3.711 3.960 0.000 0.000 0.265 94 G C -0.177 174.727 174.900 0.007 0.000 0.979 94 G CA 0.190 45.288 45.100 -0.002 0.000 0.663 94 G HN 0.651 nan 8.290 nan 0.000 0.533 95 N N 0.706 119.414 118.700 0.013 0.000 2.424 95 N HA 0.443 5.183 4.740 0.000 0.000 0.271 95 N C 0.486 176.016 175.510 0.032 0.000 0.985 95 N CA -0.592 52.472 53.050 0.023 0.000 0.921 95 N CB 1.251 39.757 38.487 0.031 0.000 1.149 95 N HN 0.094 nan 8.380 nan 0.000 0.492 96 I N 1.686 122.273 120.570 0.029 0.000 2.648 96 I HA 0.005 4.175 4.170 0.000 0.000 0.284 96 I C 0.897 177.044 176.117 0.049 0.000 1.153 96 I CA -0.371 60.950 61.300 0.036 0.000 1.426 96 I CB 0.110 38.124 38.000 0.023 0.000 1.381 96 I HN 0.143 nan 8.210 nan 0.000 0.571 97 V N 6.711 126.669 119.914 0.074 0.000 2.703 97 V HA -0.131 3.989 4.120 0.000 0.000 0.300 97 V C 0.347 176.474 176.094 0.056 0.000 1.063 97 V CA 0.578 62.936 62.300 0.096 0.000 1.240 97 V CB -0.988 30.916 31.823 0.135 0.000 0.845 97 V HN 0.929 nan 8.190 nan 0.000 0.476 98 D N 4.078 124.508 120.400 0.050 0.000 2.570 98 D HA 0.647 5.287 4.640 0.000 0.000 0.244 98 D C -1.100 175.214 176.300 0.023 0.000 1.178 98 D CA -0.718 53.301 54.000 0.032 0.000 0.881 98 D CB 2.282 43.099 40.800 0.028 0.000 1.453 98 D HN 0.346 nan 8.370 nan 0.000 0.447 99 V N 0.188 120.113 119.914 0.017 0.000 2.789 99 V HA 0.574 4.695 4.120 0.000 0.000 0.311 99 V C -2.655 173.438 176.094 -0.002 0.000 1.073 99 V CA -2.163 60.141 62.300 0.007 0.000 0.921 99 V CB 2.366 34.195 31.823 0.009 0.000 1.009 99 V HN 0.564 nan 8.190 nan 0.000 0.426 100 P HA 0.215 nan 4.420 nan 0.000 0.268 100 P C -0.753 176.511 177.300 -0.060 0.000 1.205 100 P CA 0.457 63.533 63.100 -0.039 0.000 0.771 100 P CB 1.002 32.674 31.700 -0.046 0.000 0.858 101 V N -1.329 118.523 119.914 -0.105 0.000 3.158 101 V HA 1.004 5.124 4.120 0.000 0.000 0.311 101 V C -0.036 175.788 176.094 -0.450 0.000 1.181 101 V CA -0.321 61.867 62.300 -0.187 0.000 1.054 101 V CB 1.228 33.013 31.823 -0.065 0.000 1.085 101 V HN 1.004 nan 8.190 nan 0.000 0.446 102 G N 0.609 108.873 108.800 -0.892 0.000 2.497 102 G HA2 0.059 4.020 3.960 0.000 0.000 0.686 102 G HA3 0.059 4.020 3.960 0.000 0.000 0.686 102 G C -2.017 172.177 174.900 -1.176 0.000 1.288 102 G CA -0.084 44.004 45.100 -1.688 0.000 0.899 102 G HN 0.849 nan 8.290 nan 0.000 0.608 103 P HA -0.062 nan 4.420 nan 0.000 0.221 103 P C 1.746 178.888 177.300 -0.263 0.000 1.145 103 P CA 1.816 64.559 63.100 -0.595 0.000 0.795 103 P CB -0.221 31.220 31.700 -0.432 0.000 0.775 104 G N -0.756 107.874 108.800 -0.283 0.000 2.916 104 G HA2 -0.036 3.925 3.960 0.000 0.000 0.205 104 G HA3 -0.036 3.925 3.960 0.000 0.000 0.205 104 G C 1.072 175.910 174.900 -0.103 0.000 1.163 104 G CA 0.120 45.130 45.100 -0.150 0.000 0.821 104 G HN 0.222 nan 8.290 nan 0.000 0.515 105 L N -0.679 120.486 121.223 -0.097 0.000 2.642 105 L HA 0.394 4.734 4.340 0.000 0.000 0.233 105 L C 1.162 178.041 176.870 0.016 0.000 1.077 105 L CA 0.028 54.844 54.840 -0.040 0.000 0.879 105 L CB 0.026 42.058 42.059 -0.046 0.000 1.151 105 L HN 0.037 nan 8.230 nan 0.000 0.495 106 L N 0.588 121.845 121.223 0.056 0.000 2.601 106 L HA 0.185 4.525 4.340 0.000 0.000 0.277 106 L C 1.467 178.367 176.870 0.049 0.000 1.219 106 L CA 1.073 55.971 54.840 0.097 0.000 0.915 106 L CB -0.388 41.779 42.059 0.180 0.000 1.160 106 L HN 0.452 nan 8.230 nan 0.000 0.494 107 G N 1.719 110.532 108.800 0.022 0.000 2.234 107 G HA2 -0.200 3.761 3.960 0.000 0.000 0.235 107 G HA3 -0.200 3.761 3.960 0.000 0.000 0.235 107 G C 0.378 175.272 174.900 -0.009 0.000 0.997 107 G CA -0.514 44.584 45.100 -0.004 0.000 0.623 107 G HN 0.454 nan 8.290 nan 0.000 0.514 108 R N 0.069 120.568 120.500 -0.001 0.000 2.573 108 R HA 0.698 5.038 4.340 0.000 0.000 0.272 108 R C -0.221 176.080 176.300 0.001 0.000 1.009 108 R CA -0.600 55.498 56.100 -0.003 0.000 1.059 108 R CB 1.449 31.746 30.300 -0.005 0.000 1.112 108 R HN 0.240 nan 8.270 nan 0.000 0.517 109 V N 2.359 122.274 119.914 0.002 0.000 2.417 109 V HA 0.410 4.530 4.120 0.000 0.000 0.291 109 V C 0.102 176.202 176.094 0.009 0.000 1.024 109 V CA -0.755 61.551 62.300 0.011 0.000 0.861 109 V CB 1.593 33.422 31.823 0.011 0.000 0.985 109 V HN 0.613 nan 8.190 nan 0.000 0.436 110 V N 1.219 121.140 119.914 0.013 0.000 3.001 110 V HA 0.832 4.953 4.120 0.000 0.000 0.314 110 V C -0.368 175.728 176.094 0.003 0.000 1.099 110 V CA -0.852 61.450 62.300 0.004 0.000 0.989 110 V CB 2.076 33.898 31.823 -0.001 0.000 1.040 110 V HN 0.805 nan 8.190 nan 0.000 0.434 111 D N 2.272 122.667 120.400 -0.008 0.000 2.425 111 D HA 0.493 5.133 4.640 0.000 0.000 0.274 111 D C 1.301 177.581 176.300 -0.034 0.000 1.242 111 D CA 0.169 54.158 54.000 -0.019 0.000 1.060 111 D CB 0.713 41.497 40.800 -0.026 0.000 1.112 111 D HN 0.836 nan 8.370 nan 0.000 0.561 112 A N -0.981 121.803 122.820 -0.059 0.000 2.070 112 A HA -0.037 4.283 4.320 0.000 0.000 0.220 112 A C 2.106 179.635 177.584 -0.091 0.000 1.159 112 A CA 1.025 53.016 52.037 -0.077 0.000 0.656 112 A CB -0.779 18.155 19.000 -0.111 0.000 0.800 112 A HN 0.506 nan 8.150 nan 0.000 0.453 113 L N -2.002 119.160 121.223 -0.102 0.000 2.728 113 L HA 0.310 4.650 4.340 0.000 0.000 0.238 113 L C 1.532 178.378 176.870 -0.040 0.000 1.143 113 L CA 0.469 55.257 54.840 -0.086 0.000 0.937 113 L CB 0.322 42.310 42.059 -0.119 0.000 1.225 113 L HN 0.522 nan 8.230 nan 0.000 0.507 114 G N -0.308 108.473 108.800 -0.032 0.000 2.175 114 G HA2 -0.255 3.705 3.960 0.000 0.000 0.244 114 G HA3 -0.255 3.705 3.960 0.000 0.000 0.244 114 G C 0.192 175.081 174.900 -0.018 0.000 0.982 114 G CA -0.306 44.783 45.100 -0.020 0.000 0.641 114 G HN 0.367 nan 8.290 nan 0.000 0.527 115 N N 2.316 121.005 118.700 -0.019 0.000 2.454 115 N HA 0.316 5.056 4.740 0.000 0.000 0.254 115 N C -2.411 173.094 175.510 -0.008 0.000 1.228 115 N CA -0.308 52.736 53.050 -0.011 0.000 0.900 115 N CB 0.983 39.465 38.487 -0.009 0.000 1.089 115 N HN 0.263 nan 8.380 nan 0.000 0.449 116 P HA 0.193 nan 4.420 nan 0.000 0.279 116 P C 0.406 177.706 177.300 -0.001 0.000 1.239 116 P CA -0.151 62.946 63.100 -0.005 0.000 0.789 116 P CB 0.711 32.407 31.700 -0.006 0.000 0.933 117 I N -1.184 119.386 120.570 0.001 0.000 4.655 117 I HA 0.184 4.355 4.170 0.000 0.000 0.333 117 I C 0.660 176.779 176.117 0.003 0.000 1.312 117 I CA -0.134 61.168 61.300 0.003 0.000 1.270 117 I CB -0.028 37.976 38.000 0.006 0.000 1.318 117 I HN 0.023 nan 8.210 nan 0.000 0.456 118 D N 2.032 122.432 120.400 0.001 0.000 2.363 118 D HA 0.077 4.717 4.640 0.000 0.000 0.226 118 D C 1.674 177.973 176.300 -0.002 0.000 1.020 118 D CA 0.732 54.731 54.000 -0.002 0.000 0.892 118 D CB -0.374 40.423 40.800 -0.005 0.000 0.900 118 D HN 0.512 nan 8.370 nan 0.000 0.531 119 G N 0.782 109.582 108.800 -0.001 0.000 2.221 119 G HA2 -0.349 3.611 3.960 0.000 0.000 0.265 119 G HA3 -0.349 3.611 3.960 0.000 0.000 0.265 119 G C 0.287 175.185 174.900 -0.002 0.000 1.041 119 G CA 0.195 45.295 45.100 -0.001 0.000 0.807 119 G HN 0.461 nan 8.290 nan 0.000 0.502 120 K N 0.486 120.884 120.400 -0.004 0.000 3.095 120 K HA 0.474 4.794 4.320 0.000 0.000 0.220 120 K C 1.430 178.027 176.600 -0.006 0.000 1.216 120 K CA 0.109 56.393 56.287 -0.005 0.000 1.167 120 K CB 0.272 32.768 32.500 -0.007 0.000 1.199 120 K HN 1.267 nan 8.250 nan 0.000 0.458 121 G N 2.348 111.145 108.800 -0.004 0.000 2.641 121 G HA2 -0.267 3.693 3.960 0.000 0.000 0.254 121 G HA3 -0.267 3.693 3.960 0.000 0.000 0.254 121 G C -2.501 172.395 174.900 -0.007 0.000 1.315 121 G CA -1.019 44.078 45.100 -0.005 0.000 0.907 121 G HN 0.231 nan 8.290 nan 0.000 0.572 122 P HA 0.522 nan 4.420 nan 0.000 0.274 122 P C 0.225 177.515 177.300 -0.018 0.000 1.256 122 P CA -0.712 62.381 63.100 -0.012 0.000 0.795 122 P CB 0.484 32.177 31.700 -0.011 0.000 1.038 123 I N 1.339 121.896 120.570 -0.023 0.000 2.472 123 I HA 0.111 4.282 4.170 0.000 0.000 0.290 123 I C 0.309 176.400 176.117 -0.043 0.000 1.016 123 I CA 0.081 61.360 61.300 -0.035 0.000 1.348 123 I CB 0.528 38.504 38.000 -0.040 0.000 1.417 123 I HN 0.219 nan 8.210 nan 0.000 0.521 124 D N 5.450 125.816 120.400 -0.056 0.000 2.479 124 D HA 0.398 5.038 4.640 0.000 0.000 0.218 124 D C -0.036 176.202 176.300 -0.103 0.000 1.131 124 D CA -0.032 53.928 54.000 -0.067 0.000 0.916 124 D CB 1.019 41.783 40.800 -0.060 0.000 1.022 124 D HN 0.529 nan 8.370 nan 0.000 0.515 125 A N 1.436 124.200 122.820 -0.093 0.000 2.309 125 A HA 0.602 4.922 4.320 0.000 0.000 0.298 125 A C 0.856 178.371 177.584 -0.115 0.000 1.165 125 A CA -0.452 51.513 52.037 -0.120 0.000 0.821 125 A CB 1.278 20.228 19.000 -0.083 0.000 1.102 125 A HN 0.458 nan 8.150 nan 0.000 0.500 126 A N 1.657 124.378 122.820 -0.165 0.000 2.308 126 A HA 0.588 4.908 4.320 0.000 0.000 0.217 126 A C 0.940 178.510 177.584 -0.024 0.000 1.216 126 A CA 0.889 52.864 52.037 -0.102 0.000 0.864 126 A CB -0.361 18.547 19.000 -0.153 0.000 0.902 126 A HN 2.221 nan 8.150 nan 0.000 0.499 127 G N -0.835 107.944 108.800 -0.036 0.000 2.315 127 G HA2 0.475 4.435 3.960 0.000 0.000 0.294 127 G HA3 0.475 4.435 3.960 0.000 0.000 0.294 127 G C -1.609 173.290 174.900 -0.002 0.000 1.300 127 G CA -1.038 44.067 45.100 0.008 0.000 0.843 127 G HN 0.175 nan 8.290 nan 0.000 0.527 128 R N 0.172 120.682 120.500 0.016 0.000 2.483 128 R HA 0.641 4.981 4.340 0.000 0.000 0.303 128 R C -0.843 175.474 176.300 0.027 0.000 0.987 128 R CA -0.612 55.496 56.100 0.014 0.000 0.881 128 R CB 2.060 32.366 30.300 0.010 0.000 1.177 128 R HN 0.419 nan 8.270 nan 0.000 0.451 129 S N 1.992 117.712 115.700 0.033 0.000 2.565 129 S HA 0.423 4.893 4.470 0.000 0.000 0.290 129 S C 0.160 174.778 174.600 0.030 0.000 1.150 129 S CA -0.768 57.455 58.200 0.038 0.000 1.058 129 S CB 1.406 64.639 63.200 0.055 0.000 1.032 129 S HN 0.371 nan 8.310 nan 0.000 0.510 130 R N 0.702 121.217 120.500 0.024 0.000 2.738 130 R HA 0.283 4.623 4.340 0.000 0.000 0.268 130 R C 1.389 177.697 176.300 0.013 0.000 1.062 130 R CA 0.075 56.184 56.100 0.016 0.000 1.158 130 R CB 0.158 30.461 30.300 0.005 0.000 1.046 130 R HN 0.759 nan 8.270 nan 0.000 0.493 131 A N 2.006 124.826 122.820 -0.001 0.000 1.855 131 A HA -0.095 4.226 4.320 0.000 0.000 0.215 131 A C 0.403 177.947 177.584 -0.067 0.000 1.191 131 A CA 1.078 53.109 52.037 -0.010 0.000 0.613 131 A CB -0.048 18.937 19.000 -0.026 0.000 0.829 131 A HN 0.562 nan 8.150 nan 0.000 0.442 132 Q N 0.309 120.013 119.800 -0.161 0.000 2.294 132 Q HA 0.490 4.830 4.340 0.000 0.000 0.257 132 Q C -1.213 174.735 176.000 -0.087 0.000 0.955 132 Q CA 0.032 55.699 55.803 -0.228 0.000 0.936 132 Q CB 1.427 29.994 28.738 -0.285 0.000 1.188 132 Q HN 0.184 nan 8.270 nan 0.000 0.420 133 V N 2.976 122.863 119.914 -0.044 0.000 2.709 133 V HA 0.239 4.359 4.120 0.000 0.000 0.308 133 V C 0.062 176.160 176.094 0.007 0.000 1.062 133 V CA -1.117 61.182 62.300 -0.002 0.000 0.901 133 V CB 2.255 34.095 31.823 0.028 0.000 1.003 133 V HN 0.580 nan 8.190 nan 0.000 0.425 134 K N 2.916 123.324 120.400 0.013 0.000 2.472 134 K HA 0.314 4.634 4.320 0.000 0.000 0.280 134 K C 0.365 176.984 176.600 0.032 0.000 1.028 134 K CA 0.161 56.463 56.287 0.026 0.000 1.045 134 K CB 0.995 33.511 32.500 0.026 0.000 0.902 134 K HN 0.867 nan 8.250 nan 0.000 0.478 135 A N 5.886 128.729 122.820 0.038 0.000 2.425 135 A HA 0.280 4.600 4.320 0.000 0.000 0.249 135 A C -1.972 175.634 177.584 0.036 0.000 1.084 135 A CA -1.199 50.862 52.037 0.040 0.000 0.781 135 A CB -0.351 18.675 19.000 0.043 0.000 1.019 135 A HN 0.412 nan 8.150 nan 0.000 0.490 136 P HA 0.117 nan 4.420 nan 0.000 0.260 136 P C 0.759 178.077 177.300 0.029 0.000 1.172 136 P CA 0.857 63.973 63.100 0.027 0.000 0.760 136 P CB 0.367 32.083 31.700 0.026 0.000 0.773 137 G N 2.671 111.487 108.800 0.026 0.000 2.486 137 G HA2 0.058 4.018 3.960 0.000 0.000 0.272 137 G HA3 0.058 4.018 3.960 0.000 0.000 0.272 137 G C 1.153 176.068 174.900 0.026 0.000 1.426 137 G CA -0.556 44.561 45.100 0.028 0.000 1.058 137 G HN 0.367 nan 8.290 nan 0.000 0.531 138 I N -0.695 119.890 120.570 0.025 0.000 2.361 138 I HA -0.098 4.072 4.170 0.000 0.000 0.251 138 I C 2.602 178.730 176.117 0.018 0.000 1.133 138 I CA 1.051 62.365 61.300 0.022 0.000 1.413 138 I CB -0.724 37.288 38.000 0.021 0.000 1.073 138 I HN 0.251 nan 8.210 nan 0.000 0.424 139 L N 1.495 122.728 121.223 0.016 0.000 2.102 139 L HA 0.055 4.395 4.340 0.000 0.000 0.202 139 L C -0.958 175.920 176.870 0.013 0.000 1.076 139 L CA 1.428 56.275 54.840 0.013 0.000 0.761 139 L CB -1.337 40.728 42.059 0.011 0.000 0.921 139 L HN 0.086 nan 8.230 nan 0.000 0.444 140 P HA 0.111 nan 4.420 nan 0.000 0.235 140 P C -0.587 176.723 177.300 0.017 0.000 1.725 140 P CA 0.248 63.356 63.100 0.013 0.000 0.894 140 P CB -0.103 31.603 31.700 0.010 0.000 1.704 141 R N 0.044 120.555 120.500 0.019 0.000 2.854 141 R HA 0.640 4.981 4.340 0.000 0.000 0.271 141 R C -0.140 176.175 176.300 0.026 0.000 0.996 141 R CA -0.876 55.238 56.100 0.023 0.000 0.961 141 R CB 2.280 32.593 30.300 0.022 0.000 1.182 141 R HN -0.094 nan 8.270 nan 0.000 0.479 142 R N 0.762 121.284 120.500 0.036 0.000 2.538 142 R HA 0.270 4.610 4.340 0.000 0.000 0.292 142 R C -1.145 175.196 176.300 0.068 0.000 1.008 142 R CA -0.430 55.700 56.100 0.052 0.000 0.896 142 R CB 2.192 32.539 30.300 0.078 0.000 1.187 142 R HN 0.735 nan 8.270 nan 0.000 0.440 143 S N 2.067 117.803 115.700 0.059 0.000 2.563 143 S HA -0.011 4.459 4.470 0.000 0.000 0.294 143 S C 0.489 175.154 174.600 0.107 0.000 1.279 143 S CA -0.282 57.954 58.200 0.060 0.000 1.069 143 S CB 0.423 63.646 63.200 0.038 0.000 0.828 143 S HN 0.333 nan 8.310 nan 0.000 0.497 144 V N 5.819 125.763 119.914 0.051 0.000 2.506 144 V HA -0.023 4.097 4.120 0.000 0.000 0.296 144 V C 1.541 177.663 176.094 0.048 0.000 1.004 144 V CA 0.660 62.963 62.300 0.006 0.000 1.150 144 V CB -0.727 31.077 31.823 -0.032 0.000 0.911 144 V HN 1.090 nan 8.190 nan 0.000 0.476 145 H N 2.050 121.084 119.070 -0.060 0.000 3.436 145 H HA 0.304 4.860 4.556 0.000 0.000 0.244 145 H C 0.202 175.488 175.328 -0.070 0.000 1.009 145 H CA -0.366 55.650 56.048 -0.054 0.000 1.129 145 H CB 0.825 30.561 29.762 -0.042 0.000 1.473 145 H HN 0.612 nan 8.280 nan 0.000 0.510 146 E N 3.855 123.727 120.200 -0.546 0.000 2.227 146 E HA 0.331 4.681 4.350 0.000 0.000 0.282 146 E C -2.689 173.748 176.600 -0.272 0.000 1.015 146 E CA -2.174 53.985 56.400 -0.402 0.000 0.823 146 E CB 1.708 31.089 29.700 -0.533 0.000 1.081 146 E HN 0.243 nan 8.360 nan 0.000 0.396 147 P HA 0.033 nan 4.420 nan 0.000 0.281 147 P C -0.763 176.398 177.300 -0.232 0.000 1.252 147 P CA -0.344 62.654 63.100 -0.170 0.000 0.778 147 P CB 0.704 32.337 31.700 -0.112 0.000 0.895 148 V N 5.152 124.946 119.914 -0.200 0.000 2.389 148 V HA 0.097 4.217 4.120 0.000 0.000 0.264 148 V C 0.550 176.553 176.094 -0.152 0.000 1.049 148 V CA -0.014 62.159 62.300 -0.212 0.000 0.932 148 V CB 0.077 31.806 31.823 -0.156 0.000 1.011 148 V HN 0.491 nan 8.190 nan 0.000 0.475 149 Q N 2.578 122.266 119.800 -0.188 0.000 2.294 149 Q HA 0.211 4.551 4.340 0.000 0.000 0.257 149 Q C 1.262 177.291 176.000 0.048 0.000 0.955 149 Q CA 0.059 55.842 55.803 -0.033 0.000 0.936 149 Q CB 1.463 30.243 28.738 0.070 0.000 1.188 149 Q HN 0.942 nan 8.270 nan 0.000 0.420 150 T N -0.973 113.610 114.554 0.049 0.000 2.937 150 T HA 0.095 4.445 4.350 0.000 0.000 0.260 150 T C 1.382 176.132 174.700 0.082 0.000 1.051 150 T CA 0.715 62.849 62.100 0.056 0.000 1.141 150 T CB -0.020 68.867 68.868 0.032 0.000 0.879 150 T HN 0.891 nan 8.240 nan 0.000 0.459 151 G N 1.357 110.210 108.800 0.088 0.000 2.176 151 G HA2 -0.176 3.785 3.960 0.000 0.000 0.253 151 G HA3 -0.176 3.785 3.960 0.000 0.000 0.253 151 G C -0.016 174.914 174.900 0.052 0.000 0.979 151 G CA 0.160 45.308 45.100 0.079 0.000 0.641 151 G HN 0.672 nan 8.290 nan 0.000 0.530 152 L N 0.760 122.009 121.223 0.043 0.000 2.259 152 L HA 0.369 4.709 4.340 0.000 0.000 0.288 152 L C 1.720 178.611 176.870 0.035 0.000 1.051 152 L CA -0.768 54.090 54.840 0.030 0.000 0.824 152 L CB 0.956 43.026 42.059 0.020 0.000 1.206 152 L HN 0.067 nan 8.230 nan 0.000 0.429 153 K N 2.403 122.826 120.400 0.038 0.000 2.077 153 K HA -0.287 4.033 4.320 0.000 0.000 0.213 153 K C 2.091 178.716 176.600 0.041 0.000 1.051 153 K CA 2.030 58.343 56.287 0.045 0.000 0.929 153 K CB -0.217 32.313 32.500 0.050 0.000 0.715 153 K HN 0.784 nan 8.250 nan 0.000 0.451 154 A N 0.990 123.831 122.820 0.035 0.000 1.908 154 A HA -0.145 4.175 4.320 0.000 0.000 0.218 154 A C 2.448 180.053 177.584 0.035 0.000 1.181 154 A CA 1.750 53.808 52.037 0.035 0.000 0.627 154 A CB -0.687 18.331 19.000 0.030 0.000 0.818 154 A HN 0.104 nan 8.150 nan 0.000 0.445 155 V N 0.465 120.398 119.914 0.031 0.000 2.244 155 V HA -0.207 3.913 4.120 0.000 0.000 0.244 155 V C 2.182 178.292 176.094 0.027 0.000 1.042 155 V CA 2.192 64.509 62.300 0.028 0.000 1.006 155 V CB -0.862 30.975 31.823 0.023 0.000 0.641 155 V HN 0.479 nan 8.190 nan 0.000 0.446 156 D N 0.357 120.775 120.400 0.029 0.000 2.182 156 D HA -0.128 4.512 4.640 0.000 0.000 0.201 156 D C 2.089 178.406 176.300 0.028 0.000 0.986 156 D CA 1.659 55.676 54.000 0.028 0.000 0.847 156 D CB -0.187 40.635 40.800 0.037 0.000 0.942 156 D HN 0.462 nan 8.370 nan 0.000 0.467 157 A N -0.146 122.694 122.820 0.033 0.000 1.903 157 A HA 0.034 4.354 4.320 0.000 0.000 0.213 157 A C 2.277 179.877 177.584 0.027 0.000 1.185 157 A CA 0.619 52.676 52.037 0.033 0.000 0.628 157 A CB -0.307 18.718 19.000 0.042 0.000 0.830 157 A HN 0.175 nan 8.150 nan 0.000 0.446 158 L N -1.063 120.178 121.223 0.030 0.000 2.286 158 L HA 0.134 4.474 4.340 0.000 0.000 0.203 158 L C -0.265 176.621 176.870 0.027 0.000 1.068 158 L CA 0.330 55.188 54.840 0.030 0.000 0.811 158 L CB 0.383 42.466 42.059 0.040 0.000 0.989 158 L HN 0.081 nan 8.230 nan 0.000 0.467 159 V N 1.434 121.363 119.914 0.025 0.000 2.320 159 V HA 0.303 4.423 4.120 0.000 0.000 0.268 159 V C -2.469 173.632 176.094 0.012 0.000 1.021 159 V CA -1.447 60.865 62.300 0.021 0.000 0.813 159 V CB 0.680 32.519 31.823 0.027 0.000 1.054 159 V HN -0.018 nan 8.190 nan 0.000 0.444 160 P HA 0.405 nan 4.420 nan 0.000 0.276 160 P C -0.551 176.739 177.300 -0.016 0.000 1.230 160 P CA -0.002 63.096 63.100 -0.004 0.000 0.776 160 P CB 1.604 33.301 31.700 -0.005 0.000 0.888 161 I N 2.179 122.732 120.570 -0.029 0.000 2.378 161 I HA 0.476 4.646 4.170 0.000 0.000 0.291 161 I C 0.965 177.038 176.117 -0.074 0.000 0.992 161 I CA -0.410 60.864 61.300 -0.043 0.000 1.154 161 I CB 1.927 39.903 38.000 -0.039 0.000 1.315 161 I HN 0.354 nan 8.210 nan 0.000 0.448 162 G N 5.086 113.837 108.800 -0.082 0.000 2.454 162 G HA2 0.498 4.458 3.960 0.000 0.000 0.329 162 G HA3 0.498 4.458 3.960 0.000 0.000 0.329 162 G C -0.497 174.314 174.900 -0.149 0.000 1.177 162 G CA -0.858 44.168 45.100 -0.123 0.000 0.951 162 G HN 0.509 nan 8.290 nan 0.000 0.485 163 R N 0.336 120.703 120.500 -0.222 0.000 2.399 163 R HA 0.346 4.686 4.340 0.000 0.000 0.324 163 R C 1.081 177.270 176.300 -0.184 0.000 1.030 163 R CA 0.927 56.876 56.100 -0.251 0.000 0.984 163 R CB 0.446 30.484 30.300 -0.438 0.000 0.961 163 R HN 1.178 nan 8.270 nan 0.000 0.433 164 G N 1.907 110.638 108.800 -0.114 0.000 2.184 164 G HA2 -0.271 3.689 3.960 0.000 0.000 0.206 164 G HA3 -0.271 3.689 3.960 0.000 0.000 0.206 164 G C 0.182 175.057 174.900 -0.041 0.000 0.995 164 G CA -0.174 44.888 45.100 -0.063 0.000 0.651 164 G HN 0.582 nan 8.290 nan 0.000 0.511 165 Q N -0.075 119.694 119.800 -0.051 0.000 2.312 165 Q HA 0.643 4.983 4.340 0.000 0.000 0.236 165 Q C -0.082 175.905 176.000 -0.022 0.000 0.965 165 Q CA -0.463 55.320 55.803 -0.033 0.000 0.894 165 Q CB 0.395 29.109 28.738 -0.040 0.000 1.225 165 Q HN 0.280 nan 8.270 nan 0.000 0.478 166 R N 2.251 122.745 120.500 -0.009 0.000 2.396 166 R HA 0.226 4.566 4.340 0.000 0.000 0.292 166 R C -1.425 174.873 176.300 -0.004 0.000 1.240 166 R CA -0.414 55.685 56.100 -0.002 0.000 1.270 166 R CB 1.113 31.418 30.300 0.008 0.000 1.108 166 R HN 0.411 nan 8.270 nan 0.000 0.573 167 E N 2.227 122.421 120.200 -0.009 0.000 2.134 167 E HA 0.225 4.575 4.350 0.000 0.000 0.278 167 E C -1.178 175.420 176.600 -0.003 0.000 0.959 167 E CA -0.843 55.554 56.400 -0.004 0.000 0.783 167 E CB 0.823 30.519 29.700 -0.006 0.000 1.095 167 E HN 0.307 nan 8.360 nan 0.000 0.399 168 L N 6.108 127.333 121.223 0.003 0.000 2.281 168 L HA 0.431 4.771 4.340 0.000 0.000 0.285 168 L C -0.935 175.941 176.870 0.010 0.000 1.074 168 L CA 0.040 54.880 54.840 -0.001 0.000 0.817 168 L CB 0.455 42.510 42.059 -0.006 0.000 1.168 168 L HN 0.600 nan 8.230 nan 0.000 0.434 169 I N 6.977 127.547 120.570 -0.001 0.000 2.342 169 I HA 0.380 4.550 4.170 0.000 0.000 0.291 169 I C -0.097 176.013 176.117 -0.012 0.000 1.010 169 I CA -0.018 61.281 61.300 -0.002 0.000 1.308 169 I CB 0.971 38.966 38.000 -0.008 0.000 1.400 169 I HN 0.606 nan 8.210 nan 0.000 0.488 170 I N 5.095 125.659 120.570 -0.011 0.000 2.752 170 I HA 0.850 5.020 4.170 0.000 0.000 0.295 170 I C -0.444 175.596 176.117 -0.130 0.000 1.219 170 I CA -0.006 61.286 61.300 -0.014 0.000 1.030 170 I CB 2.095 40.142 38.000 0.078 0.000 1.259 170 I HN 0.732 nan 8.210 nan 0.000 0.423 171 G N 4.826 113.527 108.800 -0.166 0.000 2.317 171 G HA2 0.179 4.139 3.960 0.000 0.000 0.293 171 G HA3 0.179 4.139 3.960 0.000 0.000 0.293 171 G C -1.962 172.820 174.900 -0.196 0.000 1.287 171 G CA -0.703 44.193 45.100 -0.341 0.000 0.850 171 G HN 0.521 nan 8.290 nan 0.000 0.515 172 D N 0.253 120.521 120.400 -0.220 0.000 2.384 172 D HA 0.445 5.085 4.640 0.000 0.000 0.244 172 D C 1.130 177.347 176.300 -0.138 0.000 1.251 172 D CA -0.114 53.806 54.000 -0.133 0.000 0.961 172 D CB 0.416 41.143 40.800 -0.121 0.000 1.116 172 D HN 0.644 nan 8.370 nan 0.000 0.484 173 R N 0.210 120.652 120.500 -0.095 0.000 2.623 173 R HA 0.133 4.473 4.340 0.000 0.000 0.271 173 R C 0.096 176.305 176.300 -0.152 0.000 1.043 173 R CA -0.342 55.703 56.100 -0.093 0.000 1.083 173 R CB 0.064 30.336 30.300 -0.048 0.000 0.974 173 R HN 0.286 nan 8.270 nan 0.000 0.436 174 Q N 0.175 119.876 119.800 -0.165 0.000 2.481 174 Q HA -0.185 4.155 4.340 0.000 0.000 0.272 174 Q C -0.264 175.423 176.000 -0.521 0.000 1.157 174 Q CA 1.627 57.281 55.803 -0.249 0.000 0.935 174 Q CB -1.575 27.060 28.738 -0.173 0.000 1.338 174 Q HN 0.981 nan 8.270 nan 0.000 0.494 175 T N -4.019 110.260 114.554 -0.458 0.000 3.223 175 T HA 0.525 4.875 4.350 0.000 0.000 0.259 175 T C 1.150 175.667 174.700 -0.304 0.000 1.015 175 T CA 0.345 62.094 62.100 -0.586 0.000 0.908 175 T CB 0.577 69.202 68.868 -0.405 0.000 1.054 175 T HN 1.174 nan 8.240 nan 0.000 0.567 176 G N 1.868 110.545 108.800 -0.205 0.000 2.149 176 G HA2 -0.289 3.671 3.960 0.000 0.000 0.235 176 G HA3 -0.289 3.671 3.960 0.000 0.000 0.235 176 G C 0.748 175.637 174.900 -0.018 0.000 1.018 176 G CA 0.394 45.501 45.100 0.011 0.000 0.728 176 G HN 0.568 nan 8.290 nan 0.000 0.508 177 K N -0.649 119.716 120.400 -0.058 0.000 1.985 177 K HA -0.062 4.259 4.320 0.000 0.000 0.210 177 K C 2.466 179.066 176.600 0.001 0.000 1.047 177 K CA 1.851 58.115 56.287 -0.039 0.000 0.932 177 K CB -0.365 32.104 32.500 -0.052 0.000 0.716 177 K HN 0.291 nan 8.250 nan 0.000 0.439 178 T N 1.071 115.636 114.554 0.018 0.000 3.051 178 T HA -0.038 4.312 4.350 0.000 0.000 0.269 178 T C 1.785 176.513 174.700 0.047 0.000 1.127 178 T CA 0.943 63.081 62.100 0.064 0.000 1.107 178 T CB -0.092 68.832 68.868 0.093 0.000 0.898 178 T HN 0.315 nan 8.240 nan 0.000 0.517 179 A N 0.985 123.815 122.820 0.017 0.000 1.898 179 A HA 0.045 4.365 4.320 0.000 0.000 0.214 179 A C 2.479 180.058 177.584 -0.010 0.000 1.183 179 A CA 0.822 52.851 52.037 -0.013 0.000 0.622 179 A CB -0.756 18.224 19.000 -0.033 0.000 0.824 179 A HN 0.360 nan 8.150 nan 0.000 0.444 180 V N -0.007 119.909 119.914 0.003 0.000 2.490 180 V HA -0.234 3.886 4.120 0.000 0.000 0.250 180 V C 2.921 179.025 176.094 0.018 0.000 1.061 180 V CA 1.872 64.176 62.300 0.006 0.000 1.064 180 V CB -1.136 30.691 31.823 0.007 0.000 0.670 180 V HN 0.606 nan 8.190 nan 0.000 0.461 181 A N -0.039 122.800 122.820 0.033 0.000 1.855 181 A HA -0.088 4.232 4.320 0.000 0.000 0.213 181 A C 2.119 179.729 177.584 0.044 0.000 1.195 181 A CA 1.609 53.676 52.037 0.050 0.000 0.610 181 A CB -0.542 18.515 19.000 0.095 0.000 0.837 181 A HN 0.436 nan 8.150 nan 0.000 0.444 182 L N 0.352 121.592 121.223 0.029 0.000 2.042 182 L HA -0.206 4.134 4.340 0.000 0.000 0.210 182 L C 1.556 178.437 176.870 0.017 0.000 1.076 182 L CA 2.789 57.626 54.840 -0.005 0.000 0.749 182 L CB -0.659 41.399 42.059 -0.002 0.000 0.893 182 L HN 0.355 nan 8.230 nan 0.000 0.432 183 D N -1.207 119.209 120.400 0.027 0.000 2.144 183 D HA -0.139 4.502 4.640 0.000 0.000 0.200 183 D C 2.109 178.439 176.300 0.051 0.000 0.978 183 D CA 1.642 55.663 54.000 0.035 0.000 0.833 183 D CB -0.342 40.462 40.800 0.007 0.000 0.961 183 D HN 0.358 nan 8.370 nan 0.000 0.470 184 T N 0.732 115.315 114.554 0.048 0.000 2.622 184 T HA -0.120 4.230 4.350 0.000 0.000 0.266 184 T C 2.122 176.875 174.700 0.089 0.000 1.047 184 T CA 0.833 62.970 62.100 0.062 0.000 1.159 184 T CB -0.412 68.480 68.868 0.039 0.000 0.863 184 T HN 0.126 nan 8.240 nan 0.000 0.422 185 I N 0.877 121.497 120.570 0.082 0.000 2.185 185 I HA -0.226 3.944 4.170 0.000 0.000 0.246 185 I C 2.325 178.566 176.117 0.207 0.000 1.088 185 I CA 1.355 62.733 61.300 0.130 0.000 1.347 185 I CB -0.534 37.502 38.000 0.059 0.000 1.041 185 I HN 0.208 nan 8.210 nan 0.000 0.415 186 L N 0.145 121.441 121.223 0.123 0.000 1.994 186 L HA -0.235 4.105 4.340 0.000 0.000 0.208 186 L C 2.360 179.335 176.870 0.175 0.000 1.071 186 L CA 1.692 56.613 54.840 0.135 0.000 0.745 186 L CB -0.796 41.275 42.059 0.020 0.000 0.892 186 L HN 0.315 nan 8.230 nan 0.000 0.431 187 N N -0.114 118.668 118.700 0.137 0.000 2.322 187 N HA -0.232 4.508 4.740 0.000 0.000 0.189 187 N C 1.716 177.348 175.510 0.204 0.000 1.012 187 N CA 1.080 54.214 53.050 0.141 0.000 0.880 187 N CB 0.038 38.617 38.487 0.153 0.000 0.967 187 N HN 0.268 nan 8.380 nan 0.000 0.439 188 Q N -0.056 119.872 119.800 0.213 0.000 2.472 188 Q HA -0.025 4.315 4.340 0.000 0.000 0.208 188 Q C 1.506 177.475 176.000 -0.052 0.000 0.958 188 Q CA 0.344 56.259 55.803 0.186 0.000 0.932 188 Q CB -0.048 28.681 28.738 -0.014 0.000 1.007 188 Q HN 0.507 nan 8.270 nan 0.000 0.508 189 K N 1.098 121.492 120.400 -0.011 0.000 2.218 189 K HA -0.156 4.164 4.320 0.000 0.000 0.205 189 K C 1.873 178.382 176.600 -0.151 0.000 1.046 189 K CA 0.965 57.227 56.287 -0.041 0.000 0.933 189 K CB 0.172 32.723 32.500 0.084 0.000 0.728 189 K HN 0.161 nan 8.250 nan 0.000 0.454 190 R N -0.569 119.763 120.500 -0.281 0.000 2.080 190 R HA -0.156 4.184 4.340 0.000 0.000 0.236 190 R C 2.091 178.081 176.300 -0.518 0.000 1.137 190 R CA 1.794 57.542 56.100 -0.586 0.000 0.943 190 R CB -0.305 29.226 30.300 -1.282 0.000 0.846 190 R HN 0.403 nan 8.270 nan 0.000 0.431 191 W N 0.445 121.654 121.300 -0.152 0.000 2.704 191 W HA 0.134 4.794 4.660 0.000 0.000 0.266 191 W C 1.209 177.605 176.519 -0.204 0.000 1.266 191 W CA -0.335 56.918 57.345 -0.153 0.000 1.377 191 W CB -0.380 28.992 29.460 -0.146 0.000 1.082 191 W HN 0.107 nan 8.180 nan 0.000 0.608 192 N N 1.170 119.818 118.700 -0.087 0.000 2.571 192 N HA -0.102 4.638 4.740 0.000 0.000 0.189 192 N C 0.885 176.322 175.510 -0.123 0.000 1.154 192 N CA 0.776 53.680 53.050 -0.244 0.000 0.907 192 N CB -0.369 37.742 38.487 -0.628 0.000 0.977 192 N HN 0.178 nan 8.380 nan 0.000 0.449 193 N N -0.151 118.497 118.700 -0.086 0.000 2.356 193 N HA 0.052 4.792 4.740 0.000 0.000 0.178 193 N C 1.028 176.516 175.510 -0.036 0.000 1.075 193 N CA 0.128 53.147 53.050 -0.051 0.000 0.889 193 N CB 0.153 38.601 38.487 -0.065 0.000 0.999 193 N HN 0.118 nan 8.380 nan 0.000 0.464 194 G N -0.597 108.185 108.800 -0.030 0.000 2.616 194 G HA2 0.228 4.188 3.960 0.000 0.000 0.268 194 G HA3 0.228 4.188 3.960 0.000 0.000 0.268 194 G C 0.740 175.647 174.900 0.011 0.000 1.213 194 G CA -0.301 44.795 45.100 -0.007 0.000 0.926 194 G HN 0.062 nan 8.290 nan 0.000 0.523 195 S N -0.765 114.946 115.700 0.019 0.000 2.377 195 S HA -0.034 4.436 4.470 0.000 0.000 0.223 195 S C 1.060 175.682 174.600 0.036 0.000 1.030 195 S CA 0.332 58.548 58.200 0.027 0.000 0.970 195 S CB -0.139 63.074 63.200 0.023 0.000 0.830 195 S HN 0.687 nan 8.310 nan 0.000 0.473 196 D N 2.131 122.555 120.400 0.040 0.000 2.502 196 D HA -0.039 4.602 4.640 0.000 0.000 0.249 196 D C 0.960 177.284 176.300 0.040 0.000 1.188 196 D CA 0.326 54.352 54.000 0.044 0.000 0.890 196 D CB 0.482 41.316 40.800 0.057 0.000 1.140 196 D HN 0.185 nan 8.370 nan 0.000 0.505 197 E N 1.723 121.946 120.200 0.039 0.000 2.072 197 E HA -0.148 4.203 4.350 0.000 0.000 0.190 197 E C 1.874 178.470 176.600 -0.007 0.000 0.982 197 E CA 0.819 57.245 56.400 0.043 0.000 0.803 197 E CB -0.192 29.553 29.700 0.075 0.000 0.755 197 E HN 0.632 nan 8.360 nan 0.000 0.453 198 S N 0.835 116.524 115.700 -0.018 0.000 2.462 198 S HA -0.156 4.314 4.470 0.000 0.000 0.243 198 S C 1.585 176.184 174.600 -0.001 0.000 1.003 198 S CA 1.189 59.363 58.200 -0.043 0.000 0.970 198 S CB -0.154 63.060 63.200 0.023 0.000 0.762 198 S HN 0.135 nan 8.310 nan 0.000 0.510 199 K N 0.314 120.710 120.400 -0.007 0.000 2.353 199 K HA 0.230 4.550 4.320 0.000 0.000 0.195 199 K C 0.053 176.589 176.600 -0.106 0.000 1.031 199 K CA 0.002 56.260 56.287 -0.048 0.000 1.079 199 K CB 0.321 32.847 32.500 0.043 0.000 0.857 199 K HN 0.337 nan 8.250 nan 0.000 0.535 200 K N 1.594 121.934 120.400 -0.099 0.000 2.276 200 K HA 0.174 4.494 4.320 0.000 0.000 0.283 200 K C -0.827 175.616 176.600 -0.263 0.000 1.044 200 K CA -0.406 55.740 56.287 -0.235 0.000 0.944 200 K CB 0.919 33.205 32.500 -0.357 0.000 1.012 200 K HN -0.122 nan 8.250 nan 0.000 0.472 201 L N 4.784 125.811 121.223 -0.325 0.000 2.318 201 L HA 0.305 4.645 4.340 0.000 0.000 0.277 201 L C -1.366 175.333 176.870 -0.286 0.000 1.008 201 L CA -0.397 54.316 54.840 -0.210 0.000 0.846 201 L CB 0.316 42.278 42.059 -0.163 0.000 1.220 201 L HN 0.439 nan 8.230 nan 0.000 0.423 202 Y N 3.083 123.256 120.300 -0.211 0.000 2.336 202 Y HA 0.394 4.944 4.550 0.000 0.000 0.331 202 Y C 0.498 176.294 175.900 -0.173 0.000 1.211 202 Y CA -0.092 57.847 58.100 -0.268 0.000 1.346 202 Y CB 0.827 38.792 38.460 -0.825 0.000 1.271 202 Y HN 0.486 nan 8.280 nan 0.000 0.538 203 C N 2.541 121.905 119.300 0.107 0.000 2.379 203 C HA 0.679 5.139 4.460 0.000 0.000 0.323 203 C C -0.560 174.459 174.990 0.049 0.000 1.262 203 C CA -1.123 57.940 59.018 0.076 0.000 1.581 203 C CB 0.549 28.368 27.740 0.132 0.000 2.221 203 C HN 0.536 nan 8.230 nan 0.000 0.497 204 V N 3.498 123.428 119.914 0.025 0.000 2.376 204 V HA 0.303 4.423 4.120 0.000 0.000 0.287 204 V C -1.021 175.087 176.094 0.022 0.000 1.015 204 V CA -0.544 61.773 62.300 0.028 0.000 0.834 204 V CB 0.981 32.809 31.823 0.008 0.000 1.001 204 V HN 0.807 nan 8.190 nan 0.000 0.428 205 Y N 5.032 125.294 120.300 -0.063 0.000 2.356 205 Y HA 0.609 5.159 4.550 0.000 0.000 0.334 205 Y C -0.176 175.699 175.900 -0.041 0.000 0.958 205 Y CA -0.732 57.328 58.100 -0.067 0.000 1.196 205 Y CB 1.590 40.019 38.460 -0.051 0.000 1.137 205 Y HN 0.453 nan 8.280 nan 0.000 0.485 206 V N 6.256 125.922 119.914 -0.413 0.000 2.320 206 V HA 0.499 4.619 4.120 0.000 0.000 0.265 206 V C 0.339 176.186 176.094 -0.413 0.000 1.048 206 V CA -0.670 61.474 62.300 -0.260 0.000 0.865 206 V CB 0.330 32.114 31.823 -0.065 0.000 1.043 206 V HN 0.922 nan 8.190 nan 0.000 0.474 207 A N 5.370 128.048 122.820 -0.237 0.000 2.376 207 A HA 0.613 4.933 4.320 0.000 0.000 0.298 207 A C -0.203 177.346 177.584 -0.059 0.000 1.271 207 A CA -0.224 51.738 52.037 -0.126 0.000 0.926 207 A CB 0.172 19.221 19.000 0.081 0.000 1.141 207 A HN 0.693 nan 8.150 nan 0.000 0.539 208 V N 2.935 122.810 119.914 -0.065 0.000 2.326 208 V HA 0.604 4.724 4.120 0.000 0.000 0.281 208 V C 1.122 177.219 176.094 0.005 0.000 1.015 208 V CA 0.548 62.833 62.300 -0.024 0.000 0.823 208 V CB 0.465 32.267 31.823 -0.036 0.000 1.009 208 V HN 1.695 nan 8.190 nan 0.000 0.436 209 G N 3.944 112.758 108.800 0.024 0.000 2.176 209 G HA2 -0.209 3.751 3.960 0.000 0.000 0.253 209 G HA3 -0.209 3.751 3.960 0.000 0.000 0.253 209 G C 0.173 175.094 174.900 0.035 0.000 0.979 209 G CA 0.090 45.212 45.100 0.036 0.000 0.641 209 G HN 0.602 nan 8.290 nan 0.000 0.530 210 Q N 0.568 120.389 119.800 0.036 0.000 2.312 210 Q HA 0.453 4.793 4.340 0.000 0.000 0.236 210 Q C 0.607 176.633 176.000 0.043 0.000 0.965 210 Q CA -0.162 55.668 55.803 0.045 0.000 0.894 210 Q CB 0.697 29.474 28.738 0.064 0.000 1.225 210 Q HN 0.626 nan 8.270 nan 0.000 0.478 211 K N 0.751 121.176 120.400 0.041 0.000 2.237 211 K HA 0.184 4.504 4.320 0.000 0.000 0.270 211 K C 0.432 177.055 176.600 0.038 0.000 1.015 211 K CA -0.453 55.856 56.287 0.036 0.000 0.949 211 K CB 1.071 33.590 32.500 0.031 0.000 0.976 211 K HN 0.457 nan 8.250 nan 0.000 0.472 212 R N 0.871 121.390 120.500 0.033 0.000 2.117 212 R HA -0.209 4.131 4.340 0.000 0.000 0.243 212 R C 2.368 178.684 176.300 0.027 0.000 1.143 212 R CA 2.292 58.410 56.100 0.030 0.000 0.968 212 R CB -0.343 29.972 30.300 0.025 0.000 0.863 212 R HN 0.963 nan 8.270 nan 0.000 0.444 213 S N -0.548 115.167 115.700 0.025 0.000 2.359 213 S HA -0.154 4.316 4.470 0.000 0.000 0.224 213 S C 1.968 176.582 174.600 0.024 0.000 1.035 213 S CA 1.804 60.017 58.200 0.021 0.000 1.018 213 S CB -0.614 62.598 63.200 0.020 0.000 0.876 213 S HN 0.211 nan 8.310 nan 0.000 0.448 214 T N 2.122 116.695 114.554 0.032 0.000 2.746 214 T HA -0.004 4.346 4.350 0.000 0.000 0.267 214 T C 1.906 176.629 174.700 0.038 0.000 1.039 214 T CA 1.402 63.525 62.100 0.037 0.000 1.142 214 T CB -0.559 68.338 68.868 0.048 0.000 0.866 214 T HN 0.296 nan 8.240 nan 0.000 0.444 215 V N 1.639 121.583 119.914 0.051 0.000 2.358 215 V HA -0.136 3.984 4.120 0.000 0.000 0.246 215 V C 2.870 178.974 176.094 0.017 0.000 1.047 215 V CA 1.544 63.877 62.300 0.056 0.000 1.035 215 V CB -1.235 30.635 31.823 0.079 0.000 0.658 215 V HN 0.512 nan 8.190 nan 0.000 0.452 216 A N -0.115 122.714 122.820 0.014 0.000 1.865 216 A HA -0.338 3.982 4.320 0.000 0.000 0.217 216 A C 2.201 179.778 177.584 -0.013 0.000 1.191 216 A CA 2.419 54.456 52.037 0.001 0.000 0.623 216 A CB -0.646 18.357 19.000 0.005 0.000 0.826 216 A HN 0.527 nan 8.150 nan 0.000 0.444 217 Q N -0.340 119.456 119.800 -0.007 0.000 2.170 217 Q HA -0.069 4.271 4.340 0.000 0.000 0.203 217 Q C 1.839 177.818 176.000 -0.035 0.000 0.976 217 Q CA 1.769 57.564 55.803 -0.013 0.000 0.858 217 Q CB -0.493 28.247 28.738 0.003 0.000 0.907 217 Q HN 0.686 nan 8.270 nan 0.000 0.433 218 L N -1.143 120.050 121.223 -0.049 0.000 2.131 218 L HA -0.038 4.302 4.340 0.000 0.000 0.206 218 L C 1.807 178.595 176.870 -0.137 0.000 1.087 218 L CA 0.690 55.467 54.840 -0.105 0.000 0.767 218 L CB -0.114 41.852 42.059 -0.156 0.000 0.917 218 L HN 0.084 nan 8.230 nan 0.000 0.441 219 V N 0.106 119.957 119.914 -0.105 0.000 2.343 219 V HA -0.313 3.807 4.120 0.000 0.000 0.247 219 V C 2.511 178.556 176.094 -0.082 0.000 1.051 219 V CA 2.122 64.364 62.300 -0.097 0.000 1.036 219 V CB -0.583 31.205 31.823 -0.058 0.000 0.654 219 V HN 0.594 nan 8.190 nan 0.000 0.451 220 Q N -0.317 119.445 119.800 -0.064 0.000 2.135 220 Q HA -0.220 4.120 4.340 0.000 0.000 0.204 220 Q C 2.236 178.199 176.000 -0.062 0.000 0.981 220 Q CA 2.192 57.963 55.803 -0.054 0.000 0.856 220 Q CB -0.143 28.570 28.738 -0.041 0.000 0.902 220 Q HN 0.663 nan 8.270 nan 0.000 0.425 221 T N 1.121 115.626 114.554 -0.083 0.000 2.867 221 T HA -0.071 4.279 4.350 0.000 0.000 0.268 221 T C 1.708 176.361 174.700 -0.077 0.000 1.057 221 T CA 0.793 62.831 62.100 -0.104 0.000 1.136 221 T CB -0.045 68.713 68.868 -0.184 0.000 0.874 221 T HN 0.255 nan 8.240 nan 0.000 0.466 222 L N 0.326 121.483 121.223 -0.111 0.000 2.217 222 L HA -0.002 4.338 4.340 0.000 0.000 0.211 222 L C 2.617 179.443 176.870 -0.075 0.000 1.107 222 L CA 1.175 55.944 54.840 -0.118 0.000 0.783 222 L CB -0.397 41.556 42.059 -0.177 0.000 0.919 222 L HN 0.291 nan 8.230 nan 0.000 0.442 223 E N -0.067 120.095 120.200 -0.064 0.000 2.046 223 E HA -0.207 4.143 4.350 0.000 0.000 0.190 223 E C 2.211 178.782 176.600 -0.047 0.000 0.982 223 E CA 0.905 57.272 56.400 -0.056 0.000 0.800 223 E CB 0.055 29.724 29.700 -0.053 0.000 0.756 223 E HN 0.484 nan 8.360 nan 0.000 0.449 224 Q N -0.435 119.335 119.800 -0.049 0.000 2.226 224 Q HA -0.146 4.194 4.340 0.000 0.000 0.204 224 Q C 1.289 177.186 176.000 -0.172 0.000 0.975 224 Q CA 1.176 56.917 55.803 -0.103 0.000 0.866 224 Q CB -0.060 28.605 28.738 -0.123 0.000 0.915 224 Q HN 0.371 nan 8.270 nan 0.000 0.440 225 H N -0.529 118.479 119.070 -0.103 0.000 2.539 225 H HA 0.042 4.598 4.556 0.000 0.000 0.269 225 H C -0.058 175.238 175.328 -0.054 0.000 0.980 225 H CA 0.626 56.626 56.048 -0.080 0.000 1.152 225 H CB 0.382 30.087 29.762 -0.096 0.000 1.407 225 H HN 0.254 nan 8.280 nan 0.000 0.564 226 D N -1.432 118.974 120.400 0.010 0.000 3.077 226 D HA -0.264 4.376 4.640 0.000 0.000 0.217 226 D C 1.349 177.632 176.300 -0.028 0.000 1.162 226 D CA 0.783 54.780 54.000 -0.005 0.000 0.943 226 D CB -1.052 39.757 40.800 0.015 0.000 1.122 226 D HN 0.466 nan 8.370 nan 0.000 0.413 227 A N -0.734 122.017 122.820 -0.115 0.000 2.067 227 A HA 0.012 4.332 4.320 0.000 0.000 0.217 227 A C 2.110 179.265 177.584 -0.716 0.000 1.156 227 A CA 1.081 52.832 52.037 -0.477 0.000 0.683 227 A CB -0.239 18.544 19.000 -0.361 0.000 0.808 227 A HN 0.359 nan 8.150 nan 0.000 0.455 228 M N 0.964 120.364 119.600 -0.334 0.000 2.195 228 M HA -0.197 4.284 4.480 0.000 0.000 0.260 228 M C 2.066 178.251 176.300 -0.192 0.000 1.066 228 M CA 2.076 57.230 55.300 -0.242 0.000 1.089 228 M CB -0.864 31.657 32.600 -0.131 0.000 1.377 228 M HN 0.721 nan 8.290 nan 0.000 0.411 229 K N -0.087 120.233 120.400 -0.134 0.000 2.280 229 K HA -0.174 4.146 4.320 0.000 0.000 0.202 229 K C 1.005 177.660 176.600 0.091 0.000 1.047 229 K CA 1.503 57.790 56.287 -0.000 0.000 0.942 229 K CB -0.684 31.850 32.500 0.056 0.000 0.739 229 K HN 0.522 nan 8.250 nan 0.000 0.457 230 Y N -0.483 119.840 120.300 0.040 0.000 2.681 230 Y HA 0.515 5.065 4.550 0.000 0.000 0.267 230 Y C -0.486 175.450 175.900 0.060 0.000 1.166 230 Y CA -1.098 57.036 58.100 0.058 0.000 1.209 230 Y CB 0.370 38.803 38.460 -0.044 0.000 1.161 230 Y HN -0.130 nan 8.280 nan 0.000 0.534 231 S N 0.927 116.593 115.700 -0.057 0.000 2.570 231 S HA 0.727 5.198 4.470 0.000 0.000 0.286 231 S C -0.924 173.683 174.600 0.012 0.000 1.099 231 S CA -0.695 57.481 58.200 -0.040 0.000 0.913 231 S CB 1.972 65.065 63.200 -0.178 0.000 1.085 231 S HN 0.249 nan 8.310 nan 0.000 0.480 232 I N 2.415 123.013 120.570 0.046 0.000 2.465 232 I HA 0.438 4.608 4.170 0.000 0.000 0.291 232 I C -1.071 175.086 176.117 0.067 0.000 1.014 232 I CA -0.673 60.660 61.300 0.055 0.000 1.093 232 I CB 1.476 39.525 38.000 0.082 0.000 1.267 232 I HN 0.381 nan 8.210 nan 0.000 0.431 233 I N 6.801 127.408 120.570 0.061 0.000 2.362 233 I HA 0.375 4.545 4.170 0.000 0.000 0.289 233 I C -0.226 175.934 176.117 0.071 0.000 0.994 233 I CA -0.812 60.549 61.300 0.102 0.000 1.158 233 I CB 1.480 39.541 38.000 0.100 0.000 1.315 233 I HN 0.144 nan 8.210 nan 0.000 0.451 234 V N 5.798 125.751 119.914 0.064 0.000 2.313 234 V HA 0.662 4.782 4.120 0.000 0.000 0.278 234 V C 0.334 176.439 176.094 0.019 0.000 1.017 234 V CA -0.506 61.811 62.300 0.028 0.000 0.823 234 V CB 1.408 33.240 31.823 0.016 0.000 1.010 234 V HN 0.877 nan 8.190 nan 0.000 0.443 235 A N 4.372 127.205 122.820 0.021 0.000 2.311 235 A HA 0.872 5.193 4.320 0.000 0.000 0.306 235 A C 0.045 177.634 177.584 0.010 0.000 1.189 235 A CA -0.343 51.709 52.037 0.025 0.000 0.791 235 A CB 1.314 20.341 19.000 0.045 0.000 1.172 235 A HN 1.188 nan 8.150 nan 0.000 0.481 236 A N 3.212 126.036 122.820 0.007 0.000 2.644 236 A HA 0.611 4.931 4.320 0.000 0.000 0.343 236 A C 0.587 178.186 177.584 0.024 0.000 1.324 236 A CA 0.046 52.090 52.037 0.011 0.000 0.846 236 A CB -0.514 18.491 19.000 0.009 0.000 1.128 236 A HN 1.260 nan 8.150 nan 0.000 0.484 237 T N -1.165 113.406 114.554 0.028 0.000 2.766 237 T HA 0.461 4.812 4.350 0.000 0.000 0.295 237 T C 1.546 176.268 174.700 0.037 0.000 1.024 237 T CA 0.064 62.184 62.100 0.033 0.000 1.018 237 T CB 1.021 69.908 68.868 0.033 0.000 1.002 237 T HN 1.062 nan 8.240 nan 0.000 0.532 238 A N 0.941 123.783 122.820 0.037 0.000 2.032 238 A HA -0.088 4.233 4.320 0.000 0.000 0.221 238 A C 2.571 180.179 177.584 0.039 0.000 1.165 238 A CA 2.137 54.197 52.037 0.039 0.000 0.645 238 A CB -1.429 17.592 19.000 0.036 0.000 0.807 238 A HN 1.173 nan 8.150 nan 0.000 0.453 239 S N -0.350 115.371 115.700 0.036 0.000 2.489 239 S HA 0.018 4.489 4.470 0.000 0.000 0.228 239 S C 0.531 175.156 174.600 0.040 0.000 0.995 239 S CA 0.032 58.253 58.200 0.034 0.000 0.934 239 S CB -0.234 62.984 63.200 0.029 0.000 0.771 239 S HN 0.614 nan 8.310 nan 0.000 0.522 240 E N 1.573 121.800 120.200 0.044 0.000 2.373 240 E HA 0.500 4.850 4.350 0.000 0.000 0.263 240 E C 0.130 176.772 176.600 0.070 0.000 1.073 240 E CA -0.193 56.237 56.400 0.051 0.000 0.894 240 E CB 0.922 30.646 29.700 0.040 0.000 1.008 240 E HN 0.459 nan 8.360 nan 0.000 0.420 241 A N 1.764 124.636 122.820 0.088 0.000 2.587 241 A HA 0.087 4.407 4.320 0.000 0.000 0.235 241 A C 1.363 179.029 177.584 0.136 0.000 1.044 241 A CA 0.774 52.883 52.037 0.119 0.000 0.754 241 A CB 0.159 19.266 19.000 0.177 0.000 0.968 241 A HN 0.812 nan 8.150 nan 0.000 0.509 242 A N 4.068 126.965 122.820 0.129 0.000 1.903 242 A HA -0.119 4.201 4.320 0.000 0.000 0.219 242 A C -0.025 177.684 177.584 0.208 0.000 1.191 242 A CA 2.221 54.343 52.037 0.143 0.000 0.638 242 A CB -1.767 17.299 19.000 0.109 0.000 0.823 242 A HN 0.661 nan 8.150 nan 0.000 0.451 243 P HA -0.128 nan 4.420 nan 0.000 0.218 243 P C 1.406 178.925 177.300 0.365 0.000 1.148 243 P CA 0.872 64.196 63.100 0.373 0.000 0.822 243 P CB -0.188 31.810 31.700 0.497 0.000 0.784 244 L N -0.706 120.635 121.223 0.197 0.000 2.046 244 L HA -0.207 4.133 4.340 0.000 0.000 0.208 244 L C 2.586 179.500 176.870 0.074 0.000 1.077 244 L CA 1.518 56.377 54.840 0.032 0.000 0.747 244 L CB -1.126 40.911 42.059 -0.037 0.000 0.896 244 L HN 0.057 nan 8.230 nan 0.000 0.432 245 Q N -0.801 119.071 119.800 0.121 0.000 2.167 245 Q HA -0.239 4.101 4.340 0.000 0.000 0.202 245 Q C 2.087 178.166 176.000 0.131 0.000 0.970 245 Q CA 1.729 57.594 55.803 0.103 0.000 0.855 245 Q CB -0.330 28.476 28.738 0.113 0.000 0.911 245 Q HN 0.590 nan 8.270 nan 0.000 0.438 246 Y N 0.890 121.241 120.300 0.085 0.000 2.286 246 Y HA -0.052 4.499 4.550 0.000 0.000 0.293 246 Y C 1.692 177.671 175.900 0.132 0.000 1.124 246 Y CA 0.891 59.055 58.100 0.107 0.000 1.178 246 Y CB -0.046 38.522 38.460 0.179 0.000 1.010 246 Y HN -0.059 nan 8.280 nan 0.000 0.536 247 L N 0.009 121.225 121.223 -0.012 0.000 2.341 247 L HA 0.072 4.412 4.340 0.000 0.000 0.214 247 L C 2.739 179.577 176.870 -0.053 0.000 1.115 247 L CA 0.667 55.462 54.840 -0.076 0.000 0.820 247 L CB -0.721 41.355 42.059 0.029 0.000 0.944 247 L HN 0.336 nan 8.230 nan 0.000 0.452 248 A N 1.116 123.900 122.820 -0.060 0.000 1.859 248 A HA -0.181 4.139 4.320 0.000 0.000 0.217 248 A C -0.083 177.454 177.584 -0.078 0.000 1.198 248 A CA 1.992 53.996 52.037 -0.055 0.000 0.629 248 A CB -1.914 17.062 19.000 -0.040 0.000 0.830 248 A HN 0.224 nan 8.150 nan 0.000 0.446 249 P HA -0.192 nan 4.420 nan 0.000 0.214 249 P C 1.159 178.301 177.300 -0.263 0.000 1.169 249 P CA 1.577 64.494 63.100 -0.306 0.000 0.908 249 P CB -0.274 30.942 31.700 -0.807 0.000 0.791 250 F N -0.964 118.858 119.950 -0.212 0.000 2.126 250 F HA -0.175 4.352 4.527 0.000 0.000 0.299 250 F C 2.490 178.241 175.800 -0.081 0.000 1.096 250 F CA 1.610 59.502 58.000 -0.181 0.000 1.255 250 F CB -1.904 36.928 39.000 -0.281 0.000 0.997 250 F HN -0.074 nan 8.300 nan 0.000 0.479 251 T N -0.136 114.480 114.554 0.103 0.000 2.674 251 T HA -0.195 4.155 4.350 0.000 0.000 0.265 251 T C 2.304 177.046 174.700 0.070 0.000 1.039 251 T CA 1.545 63.684 62.100 0.064 0.000 1.150 251 T CB -0.717 68.164 68.868 0.022 0.000 0.864 251 T HN 0.286 nan 8.240 nan 0.000 0.427 252 A N 1.365 124.225 122.820 0.066 0.000 1.940 252 A HA 0.085 4.405 4.320 0.000 0.000 0.219 252 A C 2.628 180.282 177.584 0.117 0.000 1.176 252 A CA 2.004 54.090 52.037 0.081 0.000 0.631 252 A CB -1.143 17.900 19.000 0.071 0.000 0.814 252 A HN 0.522 nan 8.150 nan 0.000 0.446 253 A N -0.468 122.444 122.820 0.153 0.000 1.892 253 A HA -0.145 4.175 4.320 0.000 0.000 0.218 253 A C 2.459 180.131 177.584 0.146 0.000 1.188 253 A CA 2.265 54.404 52.037 0.170 0.000 0.631 253 A CB -1.041 18.064 19.000 0.175 0.000 0.822 253 A HN 0.467 nan 8.150 nan 0.000 0.447 254 S N -0.348 115.428 115.700 0.128 0.000 2.370 254 S HA -0.154 4.316 4.470 0.000 0.000 0.226 254 S C 1.809 176.492 174.600 0.138 0.000 1.033 254 S CA 1.578 59.848 58.200 0.116 0.000 1.011 254 S CB -0.516 62.737 63.200 0.087 0.000 0.852 254 S HN 0.532 nan 8.310 nan 0.000 0.457 255 I N 1.198 121.847 120.570 0.132 0.000 2.226 255 I HA -0.162 4.008 4.170 0.000 0.000 0.245 255 I C 2.645 178.943 176.117 0.301 0.000 1.100 255 I CA 1.225 62.617 61.300 0.154 0.000 1.374 255 I CB -0.720 37.349 38.000 0.116 0.000 1.057 255 I HN 0.379 nan 8.210 nan 0.000 0.413 256 G N -0.135 108.838 108.800 0.288 0.000 2.422 256 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 256 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 256 G C 1.512 176.657 174.900 0.409 0.000 1.146 256 G CA 0.427 45.748 45.100 0.369 0.000 0.769 256 G HN 0.392 nan 8.290 nan 0.000 0.547 257 E N -0.662 119.694 120.200 0.259 0.000 2.160 257 E HA -0.176 4.174 4.350 0.000 0.000 0.195 257 E C 1.924 178.618 176.600 0.157 0.000 0.991 257 E CA 0.607 57.117 56.400 0.183 0.000 0.810 257 E CB -0.201 29.575 29.700 0.127 0.000 0.742 257 E HN 0.671 nan 8.360 nan 0.000 0.466 258 W N 0.806 122.082 121.300 -0.039 0.000 2.317 258 W HA -0.282 4.378 4.660 0.000 0.000 0.318 258 W C 1.626 177.986 176.519 -0.266 0.000 1.227 258 W CA 1.926 59.130 57.345 -0.236 0.000 1.269 258 W CB -0.519 28.658 29.460 -0.473 0.000 1.155 258 W HN 0.005 nan 8.180 nan 0.000 0.484 259 F N 0.165 120.203 119.950 0.146 0.000 2.134 259 F HA -0.154 4.373 4.527 0.000 0.000 0.299 259 F C 2.711 178.438 175.800 -0.122 0.000 1.097 259 F CA 2.071 60.044 58.000 -0.046 0.000 1.264 259 F CB -1.273 37.788 39.000 0.102 0.000 1.001 259 F HN -0.150 nan 8.300 nan 0.000 0.479 260 R N 0.694 121.285 120.500 0.152 0.000 2.096 260 R HA -0.160 4.180 4.340 0.000 0.000 0.235 260 R C 0.996 177.277 176.300 -0.033 0.000 1.127 260 R CA 1.868 58.017 56.100 0.082 0.000 0.968 260 R CB -0.409 29.949 30.300 0.097 0.000 0.861 260 R HN 0.184 nan 8.270 nan 0.000 0.440 261 D N 0.027 120.349 120.400 -0.130 0.000 2.349 261 D HA -0.009 4.631 4.640 0.000 0.000 0.224 261 D C 0.066 176.193 176.300 -0.290 0.000 1.029 261 D CA 0.493 54.382 54.000 -0.184 0.000 0.879 261 D CB 0.153 40.840 40.800 -0.189 0.000 0.906 261 D HN 0.228 nan 8.370 nan 0.000 0.528 262 N N -0.430 118.051 118.700 -0.366 0.000 2.305 262 N HA 0.154 4.894 4.740 0.000 0.000 0.248 262 N C 0.765 176.123 175.510 -0.253 0.000 1.290 262 N CA 0.071 52.865 53.050 -0.427 0.000 0.873 262 N CB 1.527 39.492 38.487 -0.870 0.000 1.261 262 N HN 0.043 nan 8.380 nan 0.000 0.504 263 G N 1.503 110.218 108.800 -0.143 0.000 2.221 263 G HA2 -0.299 3.661 3.960 0.000 0.000 0.265 263 G HA3 -0.299 3.661 3.960 0.000 0.000 0.265 263 G C -0.151 174.657 174.900 -0.153 0.000 1.041 263 G CA 0.472 45.520 45.100 -0.086 0.000 0.807 263 G HN 0.319 nan 8.290 nan 0.000 0.502 264 K N -0.359 119.967 120.400 -0.124 0.000 2.395 264 K HA 0.616 4.936 4.320 0.000 0.000 0.247 264 K C -0.875 175.704 176.600 -0.035 0.000 0.973 264 K CA -1.124 55.077 56.287 -0.144 0.000 0.828 264 K CB 1.508 34.120 32.500 0.187 0.000 1.272 264 K HN 0.254 nan 8.250 nan 0.000 0.439 265 H N 0.263 119.439 119.070 0.178 0.000 2.551 265 H HA 0.451 5.007 4.556 0.000 0.000 0.321 265 H C -0.681 174.689 175.328 0.071 0.000 1.028 265 H CA -0.780 55.316 56.048 0.079 0.000 1.215 265 H CB 1.466 31.212 29.762 -0.026 0.000 1.414 265 H HN 0.712 nan 8.280 nan 0.000 0.480 266 A N 3.254 126.171 122.820 0.163 0.000 2.320 266 A HA 0.566 4.886 4.320 0.000 0.000 0.334 266 A C -0.785 176.808 177.584 0.016 0.000 1.147 266 A CA -0.669 51.389 52.037 0.034 0.000 0.820 266 A CB 1.217 20.247 19.000 0.049 0.000 1.218 266 A HN 0.499 nan 8.150 nan 0.000 0.482 267 L N 1.861 123.072 121.223 -0.020 0.000 2.341 267 L HA 0.748 5.088 4.340 0.000 0.000 0.278 267 L C -0.920 175.906 176.870 -0.072 0.000 1.005 267 L CA -0.405 54.410 54.840 -0.043 0.000 0.818 267 L CB 1.346 43.386 42.059 -0.032 0.000 1.259 267 L HN 0.669 nan 8.230 nan 0.000 0.418 268 I N 4.869 125.348 120.570 -0.152 0.000 2.465 268 I HA 0.548 4.718 4.170 0.000 0.000 0.291 268 I C -1.244 174.605 176.117 -0.448 0.000 1.014 268 I CA -0.696 60.419 61.300 -0.309 0.000 1.093 268 I CB 1.879 39.632 38.000 -0.412 0.000 1.267 268 I HN 0.356 nan 8.210 nan 0.000 0.431 269 V N 8.011 127.680 119.914 -0.408 0.000 2.334 269 V HA 0.295 4.416 4.120 0.000 0.000 0.281 269 V C -1.039 174.757 176.094 -0.497 0.000 1.016 269 V CA -0.514 61.582 62.300 -0.341 0.000 0.832 269 V CB 0.933 32.726 31.823 -0.050 0.000 0.999 269 V HN 0.442 nan 8.190 nan 0.000 0.439 270 Y N 2.610 122.796 120.300 -0.189 0.000 2.477 270 Y HA 0.512 5.062 4.550 0.000 0.000 0.349 270 Y C 0.290 176.046 175.900 -0.239 0.000 0.977 270 Y CA -0.997 56.962 58.100 -0.235 0.000 1.214 270 Y CB 0.723 39.054 38.460 -0.214 0.000 1.124 270 Y HN 0.575 nan 8.280 nan 0.000 0.521 271 D N 3.124 123.420 120.400 -0.173 0.000 2.389 271 D HA 0.208 4.848 4.640 0.000 0.000 0.256 271 D C -1.471 174.754 176.300 -0.125 0.000 1.239 271 D CA -0.544 53.347 54.000 -0.181 0.000 0.925 271 D CB 0.455 41.068 40.800 -0.313 0.000 1.145 271 D HN 0.613 nan 8.370 nan 0.000 0.542 272 D N 0.936 121.300 120.400 -0.060 0.000 2.477 272 D HA 0.262 4.902 4.640 0.000 0.000 0.234 272 D C 0.963 177.229 176.300 -0.056 0.000 1.048 272 D CA -0.772 53.197 54.000 -0.052 0.000 0.959 272 D CB 1.183 41.962 40.800 -0.036 0.000 1.408 272 D HN 0.143 nan 8.370 nan 0.000 0.496 273 L N 0.236 121.403 121.223 -0.095 0.000 2.093 273 L HA -0.126 4.214 4.340 0.000 0.000 0.208 273 L C 2.060 178.881 176.870 -0.081 0.000 1.085 273 L CA 1.049 55.791 54.840 -0.163 0.000 0.755 273 L CB -0.415 41.417 42.059 -0.379 0.000 0.904 273 L HN 0.453 nan 8.230 nan 0.000 0.435 274 S N 0.183 115.845 115.700 -0.063 0.000 2.359 274 S HA -0.268 4.202 4.470 0.000 0.000 0.223 274 S C 1.862 176.506 174.600 0.074 0.000 1.039 274 S CA 1.600 59.804 58.200 0.006 0.000 1.042 274 S CB -0.246 62.963 63.200 0.016 0.000 0.915 274 S HN 0.365 nan 8.310 nan 0.000 0.439 275 K N 0.888 121.323 120.400 0.057 0.000 2.283 275 K HA -0.044 4.277 4.320 0.000 0.000 0.202 275 K C 2.394 179.057 176.600 0.104 0.000 1.048 275 K CA 0.690 57.025 56.287 0.080 0.000 0.948 275 K CB -0.069 32.461 32.500 0.050 0.000 0.742 275 K HN 0.377 nan 8.250 nan 0.000 0.458 276 Q N 0.254 120.110 119.800 0.093 0.000 2.096 276 Q HA -0.065 4.275 4.340 0.000 0.000 0.197 276 Q C 1.966 178.092 176.000 0.210 0.000 0.964 276 Q CA 1.198 57.073 55.803 0.120 0.000 0.838 276 Q CB 0.012 28.772 28.738 0.036 0.000 0.906 276 Q HN 0.326 nan 8.270 nan 0.000 0.444 277 A N 0.018 122.964 122.820 0.211 0.000 2.015 277 A HA -0.077 4.243 4.320 0.000 0.000 0.219 277 A C 2.125 179.943 177.584 0.390 0.000 1.163 277 A CA 1.072 53.242 52.037 0.221 0.000 0.646 277 A CB -0.370 18.638 19.000 0.013 0.000 0.806 277 A HN 0.277 nan 8.150 nan 0.000 0.448 278 V N -0.325 119.796 119.914 0.345 0.000 2.323 278 V HA -0.201 3.919 4.120 0.000 0.000 0.244 278 V C 3.044 179.273 176.094 0.225 0.000 1.041 278 V CA 1.823 64.310 62.300 0.313 0.000 1.025 278 V CB -1.090 30.860 31.823 0.211 0.000 0.656 278 V HN 0.592 nan 8.190 nan 0.000 0.451 279 A N -0.813 122.137 122.820 0.217 0.000 1.902 279 A HA -0.269 4.051 4.320 0.000 0.000 0.217 279 A C 2.199 179.929 177.584 0.244 0.000 1.181 279 A CA 2.041 54.199 52.037 0.203 0.000 0.623 279 A CB -0.800 18.324 19.000 0.207 0.000 0.818 279 A HN 0.609 nan 8.150 nan 0.000 0.443 280 Y N 0.633 121.031 120.300 0.164 0.000 2.224 280 Y HA -0.189 4.361 4.550 0.000 0.000 0.289 280 Y C 2.441 178.389 175.900 0.080 0.000 1.146 280 Y CA 1.803 59.965 58.100 0.103 0.000 1.182 280 Y CB -0.530 38.043 38.460 0.188 0.000 0.983 280 Y HN 0.370 nan 8.280 nan 0.000 0.524 281 R N 0.198 120.743 120.500 0.075 0.000 2.082 281 R HA -0.252 4.088 4.340 0.000 0.000 0.234 281 R C 2.465 178.719 176.300 -0.076 0.000 1.136 281 R CA 2.015 58.097 56.100 -0.030 0.000 0.935 281 R CB -0.591 29.755 30.300 0.076 0.000 0.842 281 R HN 0.513 nan 8.270 nan 0.000 0.430 282 Q N 0.494 120.290 119.800 -0.006 0.000 2.118 282 Q HA -0.236 4.104 4.340 0.000 0.000 0.211 282 Q C 2.241 178.218 176.000 -0.039 0.000 0.998 282 Q CA 2.332 58.128 55.803 -0.013 0.000 0.872 282 Q CB -0.211 28.543 28.738 0.027 0.000 0.925 282 Q HN 0.487 nan 8.270 nan 0.000 0.414 283 L N 0.049 121.245 121.223 -0.046 0.000 1.990 283 L HA -0.253 4.087 4.340 0.000 0.000 0.213 283 L C 2.627 179.429 176.870 -0.114 0.000 1.072 283 L CA 1.693 56.488 54.840 -0.074 0.000 0.755 283 L CB -0.753 41.246 42.059 -0.101 0.000 0.889 283 L HN 0.228 nan 8.230 nan 0.000 0.432 284 S N 0.367 115.947 115.700 -0.200 0.000 2.351 284 S HA -0.163 4.307 4.470 0.000 0.000 0.220 284 S C 2.004 176.534 174.600 -0.117 0.000 1.035 284 S CA 1.322 59.400 58.200 -0.203 0.000 1.031 284 S CB -0.572 62.438 63.200 -0.317 0.000 0.928 284 S HN 0.278 nan 8.310 nan 0.000 0.433 285 L N 0.945 122.104 121.223 -0.105 0.000 2.079 285 L HA -0.090 4.250 4.340 0.000 0.000 0.210 285 L C 2.086 178.923 176.870 -0.055 0.000 1.081 285 L CA 1.073 55.870 54.840 -0.073 0.000 0.752 285 L CB -0.606 41.410 42.059 -0.071 0.000 0.896 285 L HN 0.278 nan 8.230 nan 0.000 0.433 286 L N -0.857 120.335 121.223 -0.052 0.000 2.492 286 L HA -0.071 4.269 4.340 0.000 0.000 0.223 286 L C 1.827 178.676 176.870 -0.035 0.000 1.132 286 L CA 0.330 55.147 54.840 -0.038 0.000 0.850 286 L CB -0.038 42.003 42.059 -0.030 0.000 0.966 286 L HN 0.267 nan 8.230 nan 0.000 0.454 287 L N -0.812 120.385 121.223 -0.042 0.000 2.607 287 L HA 0.180 4.520 4.340 0.000 0.000 0.228 287 L C 0.605 177.456 176.870 -0.032 0.000 1.123 287 L CA 0.001 54.821 54.840 -0.034 0.000 0.890 287 L CB 0.071 42.109 42.059 -0.035 0.000 1.103 287 L HN 0.169 nan 8.230 nan 0.000 0.468 288 R N 0.047 120.525 120.500 -0.037 0.000 3.531 288 R HA -0.128 4.212 4.340 0.000 0.000 0.280 288 R C -0.184 176.098 176.300 -0.031 0.000 1.130 288 R CA 0.099 56.179 56.100 -0.033 0.000 0.757 288 R CB -1.438 28.847 30.300 -0.025 0.000 1.218 288 R HN 0.153 nan 8.270 nan 0.000 0.454 289 R N 1.154 121.630 120.500 -0.040 0.000 2.543 289 R HA 0.139 4.479 4.340 0.000 0.000 0.277 289 R C -2.020 174.264 176.300 -0.028 0.000 1.074 289 R CA -2.246 53.834 56.100 -0.033 0.000 1.076 289 R CB 0.033 30.305 30.300 -0.047 0.000 0.993 289 R HN -0.049 nan 8.270 nan 0.000 0.459 290 P HA -0.009 nan 4.420 nan 0.000 0.255 290 P C -2.177 175.120 177.300 -0.004 0.000 1.173 290 P CA -0.423 62.673 63.100 -0.006 0.000 0.780 290 P CB -0.117 31.586 31.700 0.005 0.000 0.758 291 P HA 0.232 nan 4.420 nan 0.000 0.278 291 P C 0.255 177.561 177.300 0.011 0.000 1.238 291 P CA 0.037 63.132 63.100 -0.009 0.000 0.794 291 P CB 1.347 33.029 31.700 -0.031 0.000 0.955 292 G N 1.571 110.397 108.800 0.044 0.000 2.971 292 G HA2 0.365 4.325 3.960 0.000 0.000 0.235 292 G HA3 0.365 4.325 3.960 0.000 0.000 0.235 292 G C -0.569 174.337 174.900 0.011 0.000 1.351 292 G CA -1.009 44.120 45.100 0.048 0.000 1.039 292 G HN 0.594 nan 8.290 nan 0.000 0.563 293 R N 0.166 120.629 120.500 -0.060 0.000 2.523 293 R HA -0.021 4.320 4.340 0.000 0.000 0.281 293 R C 0.317 176.579 176.300 -0.064 0.000 0.969 293 R CA 1.309 57.295 56.100 -0.190 0.000 1.093 293 R CB -0.239 29.733 30.300 -0.548 0.000 0.917 293 R HN 0.778 nan 8.270 nan 0.000 0.408 294 E N 2.222 122.387 120.200 -0.059 0.000 3.170 294 E HA -0.350 4.000 4.350 0.000 0.000 0.284 294 E C 0.301 176.761 176.600 -0.232 0.000 0.967 294 E CA 0.707 57.072 56.400 -0.058 0.000 0.919 294 E CB -0.959 28.829 29.700 0.147 0.000 1.469 294 E HN 0.911 nan 8.360 nan 0.000 0.444 295 A N -2.636 120.106 122.820 -0.130 0.000 3.383 295 A HA -0.293 4.027 4.320 0.000 0.000 0.264 295 A C 0.055 177.568 177.584 -0.118 0.000 1.154 295 A CA 1.647 53.599 52.037 -0.141 0.000 1.179 295 A CB -1.948 16.944 19.000 -0.181 0.000 1.133 295 A HN 0.396 nan 8.150 nan 0.000 0.933 296 Y N 0.983 121.332 120.300 0.082 0.000 2.397 296 Y HA 0.435 4.985 4.550 0.000 0.000 0.335 296 Y C -1.127 174.815 175.900 0.070 0.000 1.213 296 Y CA -1.152 57.006 58.100 0.097 0.000 1.391 296 Y CB 0.095 38.701 38.460 0.243 0.000 1.293 296 Y HN 0.261 nan 8.280 nan 0.000 0.557 297 P HA 0.037 nan 4.420 nan 0.000 0.274 297 P C 0.600 178.015 177.300 0.191 0.000 1.260 297 P CA 0.018 63.167 63.100 0.082 0.000 0.793 297 P CB 0.751 32.396 31.700 -0.090 0.000 1.048 298 G N 0.412 109.306 108.800 0.156 0.000 2.471 298 G HA2 -0.176 3.784 3.960 0.000 0.000 0.219 298 G HA3 -0.176 3.784 3.960 0.000 0.000 0.219 298 G C 0.390 175.424 174.900 0.224 0.000 1.125 298 G CA 0.508 45.712 45.100 0.174 0.000 0.775 298 G HN 0.606 nan 8.290 nan 0.000 0.548 299 D N -0.121 120.439 120.400 0.266 0.000 2.491 299 D HA 0.158 4.798 4.640 0.000 0.000 0.228 299 D C 1.541 178.072 176.300 0.385 0.000 1.183 299 D CA -0.494 53.713 54.000 0.344 0.000 0.827 299 D CB 0.409 41.437 40.800 0.380 0.000 0.989 299 D HN 0.048 nan 8.370 nan 0.000 0.494 300 V N -0.262 119.849 119.914 0.328 0.000 2.515 300 V HA -0.126 3.994 4.120 0.000 0.000 0.250 300 V C 1.640 177.759 176.094 0.041 0.000 1.058 300 V CA 1.301 63.726 62.300 0.209 0.000 1.064 300 V CB -0.573 31.331 31.823 0.135 0.000 0.675 300 V HN 0.345 nan 8.190 nan 0.000 0.461 301 F N 0.030 119.987 119.950 0.011 0.000 2.146 301 F HA -0.204 4.323 4.527 0.000 0.000 0.298 301 F C 2.065 177.906 175.800 0.069 0.000 1.096 301 F CA 2.128 60.135 58.000 0.011 0.000 1.275 301 F CB -0.511 38.518 39.000 0.049 0.000 1.008 301 F HN 0.340 nan 8.300 nan 0.000 0.480 302 Y N 0.571 120.929 120.300 0.098 0.000 2.639 302 Y HA -0.066 4.484 4.550 0.000 0.000 0.297 302 Y C 1.751 177.582 175.900 -0.114 0.000 1.151 302 Y CA 0.822 58.919 58.100 -0.005 0.000 1.335 302 Y CB -0.464 38.078 38.460 0.137 0.000 0.994 302 Y HN 0.263 nan 8.280 nan 0.000 0.548 303 L N -0.752 120.309 121.223 -0.270 0.000 2.109 303 L HA -0.104 4.236 4.340 0.000 0.000 0.207 303 L C 1.878 178.478 176.870 -0.449 0.000 1.086 303 L CA 1.962 56.549 54.840 -0.422 0.000 0.760 303 L CB -0.457 41.282 42.059 -0.533 0.000 0.910 303 L HN 0.270 nan 8.230 nan 0.000 0.437 304 H N -2.142 116.721 119.070 -0.346 0.000 2.486 304 H HA 0.046 4.602 4.556 0.000 0.000 0.287 304 H C 2.304 177.382 175.328 -0.418 0.000 1.010 304 H CA 0.764 56.573 56.048 -0.399 0.000 1.324 304 H CB 0.172 29.716 29.762 -0.363 0.000 1.446 304 H HN 0.415 nan 8.280 nan 0.000 0.537 305 S N 1.125 116.557 115.700 -0.448 0.000 2.355 305 S HA -0.183 4.287 4.470 0.000 0.000 0.222 305 S C 2.042 176.533 174.600 -0.181 0.000 1.031 305 S CA 0.761 58.752 58.200 -0.350 0.000 0.993 305 S CB -0.190 62.743 63.200 -0.444 0.000 0.859 305 S HN 0.292 nan 8.310 nan 0.000 0.453 306 R N 0.563 120.917 120.500 -0.243 0.000 2.112 306 R HA -0.125 4.215 4.340 0.000 0.000 0.242 306 R C 2.419 178.694 176.300 -0.041 0.000 1.137 306 R CA 1.816 57.791 56.100 -0.208 0.000 0.944 306 R CB -0.655 29.331 30.300 -0.523 0.000 0.857 306 R HN 0.466 nan 8.270 nan 0.000 0.435 307 L N 0.878 122.065 121.223 -0.060 0.000 1.994 307 L HA -0.138 4.202 4.340 0.000 0.000 0.208 307 L C 2.041 178.833 176.870 -0.131 0.000 1.071 307 L CA 1.696 56.423 54.840 -0.188 0.000 0.745 307 L CB -0.302 41.352 42.059 -0.675 0.000 0.892 307 L HN 0.207 nan 8.230 nan 0.000 0.431 308 L N -0.823 120.320 121.223 -0.132 0.000 2.395 308 L HA -0.028 4.312 4.340 0.000 0.000 0.218 308 L C 2.171 179.035 176.870 -0.011 0.000 1.130 308 L CA 0.209 55.016 54.840 -0.056 0.000 0.826 308 L CB -0.484 41.528 42.059 -0.078 0.000 0.941 308 L HN 0.282 nan 8.230 nan 0.000 0.451 309 E N 0.433 120.625 120.200 -0.014 0.000 2.358 309 E HA -0.084 4.266 4.350 0.000 0.000 0.195 309 E C 1.963 178.581 176.600 0.030 0.000 1.010 309 E CA 0.470 56.879 56.400 0.015 0.000 0.856 309 E CB 0.077 29.793 29.700 0.026 0.000 0.795 309 E HN 0.445 nan 8.360 nan 0.000 0.504 310 R N 0.487 121.009 120.500 0.036 0.000 2.280 310 R HA 0.086 4.426 4.340 0.000 0.000 0.207 310 R C 0.677 177.013 176.300 0.061 0.000 1.043 310 R CA 0.426 56.559 56.100 0.054 0.000 1.006 310 R CB 0.172 30.515 30.300 0.072 0.000 0.885 310 R HN -0.097 nan 8.270 nan 0.000 0.467 311 A N 1.202 124.055 122.820 0.056 0.000 2.316 311 A HA 0.652 4.972 4.320 0.000 0.000 0.311 311 A C -0.367 177.234 177.584 0.029 0.000 1.339 311 A CA -0.302 51.763 52.037 0.047 0.000 0.960 311 A CB 0.502 19.530 19.000 0.047 0.000 1.152 311 A HN 0.250 nan 8.150 nan 0.000 0.547 312 A N 2.500 125.336 122.820 0.027 0.000 2.532 312 A HA 0.829 5.149 4.320 0.000 0.000 0.290 312 A C -0.550 177.038 177.584 0.008 0.000 1.143 312 A CA -0.823 51.225 52.037 0.018 0.000 0.728 312 A CB 1.194 20.209 19.000 0.025 0.000 1.317 312 A HN 0.752 nan 8.150 nan 0.000 0.414 313 K N 1.177 121.576 120.400 -0.001 0.000 2.263 313 K HA 0.617 4.937 4.320 0.000 0.000 0.272 313 K C -1.119 175.491 176.600 0.016 0.000 1.033 313 K CA -0.174 56.108 56.287 -0.010 0.000 0.884 313 K CB 0.280 32.758 32.500 -0.036 0.000 1.107 313 K HN 0.581 nan 8.250 nan 0.000 0.460 314 L N 3.265 124.504 121.223 0.027 0.000 2.452 314 L HA 0.205 4.545 4.340 0.000 0.000 0.267 314 L C 0.715 177.606 176.870 0.036 0.000 1.188 314 L CA -0.391 54.467 54.840 0.030 0.000 0.821 314 L CB 1.072 43.148 42.059 0.029 0.000 1.102 314 L HN 0.951 nan 8.230 nan 0.000 0.470 315 S N 0.618 116.335 115.700 0.028 0.000 2.606 315 S HA 0.032 4.502 4.470 0.000 0.000 0.257 315 S C 0.856 175.472 174.600 0.028 0.000 1.327 315 S CA -0.458 57.758 58.200 0.026 0.000 0.984 315 S CB 0.861 64.071 63.200 0.016 0.000 0.941 315 S HN 0.674 nan 8.310 nan 0.000 0.576 316 E N 0.476 120.690 120.200 0.023 0.000 2.077 316 E HA -0.168 4.182 4.350 0.000 0.000 0.193 316 E C 1.946 178.553 176.600 0.011 0.000 0.989 316 E CA 1.013 57.425 56.400 0.020 0.000 0.800 316 E CB -0.179 29.526 29.700 0.009 0.000 0.746 316 E HN 0.715 nan 8.360 nan 0.000 0.452 317 K N 0.885 121.289 120.400 0.006 0.000 2.209 317 K HA -0.177 4.143 4.320 0.000 0.000 0.204 317 K C 1.374 177.973 176.600 -0.002 0.000 1.048 317 K CA 1.020 57.308 56.287 0.001 0.000 0.940 317 K CB 0.152 32.652 32.500 0.000 0.000 0.729 317 K HN -0.134 nan 8.250 nan 0.000 0.451 318 E N -0.797 119.404 120.200 0.001 0.000 2.419 318 E HA 0.107 4.457 4.350 0.000 0.000 0.190 318 E C 0.363 176.957 176.600 -0.010 0.000 1.040 318 E CA 0.467 56.864 56.400 -0.006 0.000 0.900 318 E CB 0.417 30.116 29.700 -0.001 0.000 1.054 318 E HN 0.459 nan 8.360 nan 0.000 0.462 319 G N -0.313 108.485 108.800 -0.004 0.000 2.179 319 G HA2 -0.349 3.611 3.960 0.000 0.000 0.260 319 G HA3 -0.349 3.611 3.960 0.000 0.000 0.260 319 G C 0.726 175.637 174.900 0.019 0.000 0.977 319 G CA 0.399 45.494 45.100 -0.008 0.000 0.641 319 G HN 0.382 nan 8.290 nan 0.000 0.533 320 S N -1.449 114.276 115.700 0.041 0.000 3.380 320 S HA -0.165 4.305 4.470 0.000 0.000 0.300 320 S C 1.641 176.332 174.600 0.152 0.000 1.255 320 S CA 1.557 59.808 58.200 0.085 0.000 0.963 320 S CB -1.480 61.782 63.200 0.102 0.000 1.106 320 S HN 2.234 nan 8.310 nan 0.000 0.629 321 G N 1.120 109.986 108.800 0.110 0.000 2.594 321 G HA2 0.488 4.448 3.960 0.000 0.000 0.243 321 G HA3 0.488 4.448 3.960 0.000 0.000 0.243 321 G C -0.073 174.940 174.900 0.188 0.000 1.229 321 G CA 0.368 45.570 45.100 0.171 0.000 0.843 321 G HN 1.213 nan 8.290 nan 0.000 0.578 322 S N -0.017 115.849 115.700 0.276 0.000 2.603 322 S HA 0.460 4.931 4.470 0.000 0.000 0.274 322 S C -1.233 173.434 174.600 0.112 0.000 1.168 322 S CA -0.863 57.408 58.200 0.119 0.000 0.963 322 S CB 1.781 64.952 63.200 -0.048 0.000 1.078 322 S HN 0.676 nan 8.310 nan 0.000 0.477 323 L N 3.189 124.456 121.223 0.073 0.000 2.265 323 L HA 0.655 4.995 4.340 0.000 0.000 0.289 323 L C -0.392 176.485 176.870 0.012 0.000 1.033 323 L CA 0.407 55.282 54.840 0.060 0.000 0.814 323 L CB 0.949 43.056 42.059 0.080 0.000 1.203 323 L HN 0.925 nan 8.230 nan 0.000 0.423 324 T N 4.683 119.229 114.554 -0.015 0.000 2.794 324 T HA 0.805 5.155 4.350 0.000 0.000 0.280 324 T C -0.296 174.368 174.700 -0.059 0.000 0.987 324 T CA -0.421 61.654 62.100 -0.042 0.000 0.993 324 T CB 1.381 70.210 68.868 -0.065 0.000 0.939 324 T HN 0.775 nan 8.240 nan 0.000 0.449 325 A N 3.481 126.270 122.820 -0.051 0.000 2.331 325 A HA 0.757 5.077 4.320 0.000 0.000 0.320 325 A C -0.544 177.000 177.584 -0.068 0.000 1.138 325 A CA -0.745 51.244 52.037 -0.080 0.000 0.790 325 A CB 0.555 19.567 19.000 0.019 0.000 1.206 325 A HN 0.871 nan 8.150 nan 0.000 0.470 326 L N 4.822 125.974 121.223 -0.117 0.000 2.387 326 L HA 0.344 4.685 4.340 0.000 0.000 0.259 326 L C -2.336 174.502 176.870 -0.054 0.000 1.050 326 L CA -1.765 53.035 54.840 -0.067 0.000 0.922 326 L CB 1.620 43.646 42.059 -0.054 0.000 1.280 326 L HN 0.488 nan 8.230 nan 0.000 0.449 327 P HA 0.179 nan 4.420 nan 0.000 0.279 327 P C -0.565 176.727 177.300 -0.014 0.000 1.239 327 P CA -0.230 62.903 63.100 0.054 0.000 0.789 327 P CB 2.063 33.782 31.700 0.032 0.000 0.933 328 V N 4.836 124.735 119.914 -0.026 0.000 2.435 328 V HA 0.399 4.520 4.120 0.000 0.000 0.290 328 V C 0.458 176.514 176.094 -0.063 0.000 1.030 328 V CA -0.547 61.730 62.300 -0.040 0.000 0.881 328 V CB 1.497 33.302 31.823 -0.030 0.000 0.983 328 V HN 0.446 nan 8.190 nan 0.000 0.445 329 I N 3.438 123.974 120.570 -0.057 0.000 2.608 329 I HA 0.480 4.650 4.170 0.000 0.000 0.295 329 I C -0.162 175.935 176.117 -0.034 0.000 1.049 329 I CA -0.525 60.739 61.300 -0.060 0.000 1.063 329 I CB 2.251 40.210 38.000 -0.069 0.000 1.248 329 I HN 0.786 nan 8.210 nan 0.000 0.424 330 E N 3.905 124.093 120.200 -0.020 0.000 2.133 330 E HA 0.442 4.792 4.350 0.000 0.000 0.274 330 E C -0.578 176.032 176.600 0.016 0.000 0.930 330 E CA -0.441 55.952 56.400 -0.011 0.000 0.770 330 E CB 1.277 30.975 29.700 -0.005 0.000 1.104 330 E HN 0.710 nan 8.360 nan 0.000 0.403 331 T N 1.708 116.274 114.554 0.019 0.000 2.881 331 T HA 0.350 4.700 4.350 0.000 0.000 0.278 331 T C -0.135 174.591 174.700 0.042 0.000 0.982 331 T CA -0.964 61.169 62.100 0.055 0.000 0.989 331 T CB 1.344 70.272 68.868 0.100 0.000 1.058 331 T HN 0.390 nan 8.240 nan 0.000 0.529 332 Q N 0.314 120.150 119.800 0.060 0.000 2.327 332 Q HA 0.478 4.818 4.340 0.000 0.000 0.270 332 Q C 0.761 176.796 176.000 0.058 0.000 1.022 332 Q CA -0.296 55.537 55.803 0.050 0.000 0.773 332 Q CB 1.423 30.194 28.738 0.054 0.000 1.251 332 Q HN 1.340 nan 8.270 nan 0.000 0.457 333 G N 1.627 110.456 108.800 0.049 0.000 2.160 333 G HA2 -0.271 3.689 3.960 0.000 0.000 0.251 333 G HA3 -0.271 3.689 3.960 0.000 0.000 0.251 333 G C 0.779 175.732 174.900 0.089 0.000 1.008 333 G CA 0.533 45.669 45.100 0.059 0.000 0.724 333 G HN 1.344 nan 8.290 nan 0.000 0.514 334 G N -0.813 108.057 108.800 0.117 0.000 2.162 334 G HA2 -0.181 3.779 3.960 0.000 0.000 0.260 334 G HA3 -0.181 3.779 3.960 0.000 0.000 0.260 334 G C 0.165 175.192 174.900 0.213 0.000 0.976 334 G CA 1.016 46.258 45.100 0.236 0.000 0.655 334 G HN 1.681 nan 8.290 nan 0.000 0.533 335 D N 0.445 120.926 120.400 0.136 0.000 2.344 335 D HA 0.399 5.039 4.640 0.000 0.000 0.253 335 D C 1.661 178.029 176.300 0.113 0.000 1.255 335 D CA 0.432 54.493 54.000 0.102 0.000 0.894 335 D CB 0.971 41.820 40.800 0.082 0.000 1.067 335 D HN 0.659 nan 8.370 nan 0.000 0.492 336 V N 1.100 121.066 119.914 0.086 0.000 3.650 336 V HA 0.082 4.202 4.120 0.000 0.000 0.271 336 V C 1.527 177.656 176.094 0.059 0.000 1.281 336 V CA 0.493 62.840 62.300 0.077 0.000 1.120 336 V CB 0.016 31.852 31.823 0.022 0.000 0.856 336 V HN 0.372 nan 8.190 nan 0.000 0.443 337 S N 1.538 117.272 115.700 0.056 0.000 2.428 337 S HA 0.308 4.779 4.470 0.000 0.000 0.230 337 S C 1.468 176.129 174.600 0.102 0.000 1.014 337 S CA 0.621 58.859 58.200 0.065 0.000 0.957 337 S CB -0.409 62.822 63.200 0.051 0.000 0.784 337 S HN 1.011 nan 8.310 nan 0.000 0.499 338 A N 1.423 124.309 122.820 0.111 0.000 2.613 338 A HA 0.022 4.342 4.320 0.000 0.000 0.230 338 A C 0.948 178.655 177.584 0.205 0.000 1.051 338 A CA 0.037 52.165 52.037 0.151 0.000 0.754 338 A CB -0.318 18.764 19.000 0.137 0.000 0.979 338 A HN 0.346 nan 8.150 nan 0.000 0.510 339 Y N 2.263 122.621 120.300 0.097 0.000 1.993 339 Y HA -0.274 4.276 4.550 0.000 0.000 0.267 339 Y C 2.029 177.974 175.900 0.076 0.000 1.155 339 Y CA 2.480 60.640 58.100 0.101 0.000 1.105 339 Y CB -0.299 38.251 38.460 0.151 0.000 0.960 339 Y HN 0.569 nan 8.280 nan 0.000 0.486 340 I N 0.307 120.838 120.570 -0.065 0.000 2.286 340 I HA -0.198 3.972 4.170 0.000 0.000 0.248 340 I C -0.472 175.593 176.117 -0.087 0.000 1.115 340 I CA 1.362 62.542 61.300 -0.201 0.000 1.392 340 I CB -2.713 35.174 38.000 -0.188 0.000 1.065 340 I HN 0.224 nan 8.210 nan 0.000 0.418 341 P HA -0.116 nan 4.420 nan 0.000 0.215 341 P C 1.941 179.254 177.300 0.021 0.000 1.157 341 P CA 1.611 64.716 63.100 0.009 0.000 0.868 341 P CB -0.112 31.622 31.700 0.056 0.000 0.788 342 T N -1.039 113.544 114.554 0.049 0.000 2.849 342 T HA -0.120 4.230 4.350 0.000 0.000 0.270 342 T C 1.564 176.308 174.700 0.073 0.000 1.066 342 T CA 1.303 63.443 62.100 0.066 0.000 1.130 342 T CB -0.726 68.202 68.868 0.100 0.000 0.864 342 T HN 0.053 nan 8.240 nan 0.000 0.481 343 N N 0.730 119.457 118.700 0.046 0.000 2.051 343 N HA -0.051 4.689 4.740 0.000 0.000 0.192 343 N C 1.972 177.532 175.510 0.084 0.000 1.049 343 N CA 1.107 54.234 53.050 0.128 0.000 0.845 343 N CB -0.933 37.593 38.487 0.065 0.000 1.031 343 N HN 0.209 nan 8.380 nan 0.000 0.425 344 V N 1.742 121.639 119.914 -0.028 0.000 2.407 344 V HA -0.141 3.979 4.120 0.000 0.000 0.248 344 V C 2.278 178.356 176.094 -0.027 0.000 1.055 344 V CA 1.058 63.303 62.300 -0.093 0.000 1.049 344 V CB -0.551 31.142 31.823 -0.216 0.000 0.662 344 V HN 0.243 nan 8.190 nan 0.000 0.455 345 I N 1.337 121.909 120.570 0.003 0.000 2.248 345 I HA -0.299 3.871 4.170 0.000 0.000 0.248 345 I C 2.606 178.748 176.117 0.042 0.000 1.107 345 I CA 2.130 63.445 61.300 0.025 0.000 1.373 345 I CB -0.332 37.688 38.000 0.033 0.000 1.055 345 I HN 0.535 nan 8.210 nan 0.000 0.418 346 S N 0.214 115.959 115.700 0.074 0.000 2.470 346 S HA 0.036 4.506 4.470 0.000 0.000 0.225 346 S C 1.857 176.530 174.600 0.121 0.000 1.006 346 S CA 0.283 58.547 58.200 0.107 0.000 0.934 346 S CB -0.437 62.854 63.200 0.152 0.000 0.778 346 S HN 0.406 nan 8.310 nan 0.000 0.517 347 I N 2.513 123.138 120.570 0.092 0.000 2.333 347 I HA -0.028 4.142 4.170 0.000 0.000 0.246 347 I C 1.661 177.790 176.117 0.019 0.000 1.106 347 I CA 0.972 62.296 61.300 0.040 0.000 1.411 347 I CB -0.730 37.221 38.000 -0.081 0.000 1.082 347 I HN 0.430 nan 8.210 nan 0.000 0.420 348 T N -1.869 112.689 114.554 0.007 0.000 2.849 348 T HA 0.087 4.437 4.350 0.000 0.000 0.284 348 T C 0.438 175.148 174.700 0.016 0.000 1.004 348 T CA -0.610 61.493 62.100 0.005 0.000 1.021 348 T CB 0.880 69.746 68.868 -0.004 0.000 1.013 348 T HN 0.080 nan 8.240 nan 0.000 0.527 349 D N 0.618 121.026 120.400 0.012 0.000 2.352 349 D HA 0.366 5.006 4.640 0.000 0.000 0.236 349 D C 0.938 177.246 176.300 0.013 0.000 1.148 349 D CA 0.277 54.285 54.000 0.013 0.000 0.844 349 D CB -0.283 40.521 40.800 0.008 0.000 0.933 349 D HN 0.962 nan 8.370 nan 0.000 0.507 350 G N 0.222 109.031 108.800 0.016 0.000 2.353 350 G HA2 0.193 4.153 3.960 0.000 0.000 0.308 350 G HA3 0.193 4.153 3.960 0.000 0.000 0.308 350 G C -1.833 173.082 174.900 0.027 0.000 1.418 350 G CA -0.972 44.141 45.100 0.020 0.000 0.966 350 G HN -0.024 nan 8.290 nan 0.000 0.638 351 Q N -0.903 118.920 119.800 0.039 0.000 2.394 351 Q HA 0.766 5.106 4.340 0.000 0.000 0.273 351 Q C -0.311 175.734 176.000 0.076 0.000 1.089 351 Q CA -0.507 55.334 55.803 0.063 0.000 0.812 351 Q CB 2.578 31.366 28.738 0.084 0.000 1.353 351 Q HN 0.577 nan 8.270 nan 0.000 0.438 352 I N 2.062 122.681 120.570 0.082 0.000 2.555 352 I HA 0.278 4.448 4.170 0.000 0.000 0.275 352 I C -0.907 175.278 176.117 0.115 0.000 1.082 352 I CA -0.580 60.772 61.300 0.086 0.000 1.167 352 I CB 0.441 38.468 38.000 0.045 0.000 1.312 352 I HN 0.522 nan 8.210 nan 0.000 0.493 353 F N 6.977 126.931 119.950 0.006 0.000 2.462 353 F HA 0.368 4.895 4.527 0.000 0.000 0.360 353 F C -0.073 175.731 175.800 0.007 0.000 1.134 353 F CA -0.161 57.841 58.000 0.004 0.000 1.148 353 F CB 0.323 39.327 39.000 0.007 0.000 1.147 353 F HN 0.249 nan 8.300 nan 0.000 0.550 354 L N 5.500 126.481 121.223 -0.404 0.000 2.399 354 L HA 0.398 4.738 4.340 0.000 0.000 0.266 354 L C -0.163 176.387 176.870 -0.532 0.000 1.114 354 L CA -0.385 54.263 54.840 -0.320 0.000 0.804 354 L CB 0.987 42.926 42.059 -0.200 0.000 1.146 354 L HN 0.496 nan 8.230 nan 0.000 0.451 355 E N 0.191 120.232 120.200 -0.265 0.000 2.263 355 E HA 0.308 4.658 4.350 0.000 0.000 0.268 355 E C 0.010 176.503 176.600 -0.177 0.000 0.884 355 E CA -0.414 55.857 56.400 -0.215 0.000 0.766 355 E CB 2.124 31.803 29.700 -0.036 0.000 1.196 355 E HN 0.715 nan 8.360 nan 0.000 0.416 356 A N 3.521 126.196 122.820 -0.242 0.000 1.883 356 A HA -0.223 4.097 4.320 0.000 0.000 0.217 356 A C 1.738 179.143 177.584 -0.299 0.000 1.186 356 A CA 1.394 53.191 52.037 -0.400 0.000 0.624 356 A CB -0.215 18.638 19.000 -0.244 0.000 0.822 356 A HN 0.646 nan 8.150 nan 0.000 0.444 357 E N -0.025 120.140 120.200 -0.058 0.000 2.048 357 E HA -0.232 4.118 4.350 0.000 0.000 0.202 357 E C 2.066 178.694 176.600 0.047 0.000 1.021 357 E CA 1.735 58.163 56.400 0.046 0.000 0.825 357 E CB -0.504 29.236 29.700 0.068 0.000 0.756 357 E HN 0.702 nan 8.360 nan 0.000 0.454 358 L N -0.539 120.701 121.223 0.029 0.000 2.109 358 L HA -0.094 4.246 4.340 0.000 0.000 0.207 358 L C 2.511 179.399 176.870 0.030 0.000 1.086 358 L CA 0.566 55.431 54.840 0.041 0.000 0.760 358 L CB -0.438 41.649 42.059 0.046 0.000 0.910 358 L HN 0.026 nan 8.230 nan 0.000 0.437 359 F N 0.269 120.113 119.950 -0.178 0.000 2.126 359 F HA -0.279 4.248 4.527 0.000 0.000 0.299 359 F C 2.218 177.962 175.800 -0.094 0.000 1.096 359 F CA 1.641 59.518 58.000 -0.206 0.000 1.255 359 F CB -0.169 38.603 39.000 -0.380 0.000 0.997 359 F HN -0.008 nan 8.300 nan 0.000 0.479 360 Y N -0.184 120.264 120.300 0.246 0.000 2.561 360 Y HA 0.050 4.600 4.550 0.000 0.000 0.291 360 Y C 2.039 177.971 175.900 0.054 0.000 1.141 360 Y CA 0.333 58.519 58.100 0.143 0.000 1.303 360 Y CB -0.976 37.563 38.460 0.132 0.000 1.015 360 Y HN 0.039 nan 8.280 nan 0.000 0.547 361 K N -0.710 119.783 120.400 0.154 0.000 2.459 361 K HA 0.142 4.462 4.320 0.000 0.000 0.193 361 K C 1.453 178.073 176.600 0.032 0.000 1.030 361 K CA 0.698 57.038 56.287 0.087 0.000 1.026 361 K CB -0.025 32.519 32.500 0.073 0.000 0.809 361 K HN 0.441 nan 8.250 nan 0.000 0.504 362 G N 1.290 110.080 108.800 -0.016 0.000 2.232 362 G HA2 -0.223 3.737 3.960 0.000 0.000 0.226 362 G HA3 -0.223 3.737 3.960 0.000 0.000 0.226 362 G C 0.222 175.053 174.900 -0.116 0.000 0.996 362 G CA -0.245 44.810 45.100 -0.075 0.000 0.626 362 G HN 0.211 nan 8.290 nan 0.000 0.509 363 I N 2.326 122.847 120.570 -0.082 0.000 2.357 363 I HA 0.334 4.504 4.170 0.000 0.000 0.300 363 I C 0.713 176.754 176.117 -0.128 0.000 1.159 363 I CA 0.217 61.477 61.300 -0.068 0.000 1.339 363 I CB -0.045 37.952 38.000 -0.006 0.000 1.458 363 I HN 0.061 nan 8.210 nan 0.000 0.577 364 R N 7.171 127.568 120.500 -0.172 0.000 2.534 364 R HA 0.473 4.813 4.340 0.000 0.000 0.301 364 R C -2.560 173.680 176.300 -0.099 0.000 0.961 364 R CA -1.814 54.168 56.100 -0.197 0.000 0.871 364 R CB 1.869 31.932 30.300 -0.394 0.000 1.170 364 R HN 0.244 nan 8.270 nan 0.000 0.446 365 P HA 0.032 nan 4.420 nan 0.000 0.272 365 P C -0.575 176.730 177.300 0.007 0.000 1.223 365 P CA -0.231 62.861 63.100 -0.013 0.000 0.784 365 P CB 0.922 32.622 31.700 0.001 0.000 0.923 366 A N 3.658 126.508 122.820 0.051 0.000 3.117 366 A HA 0.241 4.561 4.320 0.000 0.000 0.255 366 A C 0.564 178.166 177.584 0.031 0.000 1.583 366 A CA -0.428 51.640 52.037 0.052 0.000 1.234 366 A CB -1.525 17.549 19.000 0.123 0.000 1.076 366 A HN 0.447 nan 8.150 nan 0.000 0.653 367 I N 1.455 122.051 120.570 0.043 0.000 2.421 367 I HA -0.002 4.168 4.170 0.000 0.000 0.291 367 I C 0.617 176.796 176.117 0.103 0.000 1.089 367 I CA -0.284 61.057 61.300 0.068 0.000 1.354 367 I CB 0.254 38.291 38.000 0.063 0.000 1.413 367 I HN 0.361 nan 8.210 nan 0.000 0.513 368 N N 6.903 125.701 118.700 0.163 0.000 2.406 368 N HA 0.005 4.745 4.740 0.000 0.000 0.274 368 N C 0.871 176.475 175.510 0.156 0.000 1.249 368 N CA 0.061 53.232 53.050 0.203 0.000 0.951 368 N CB 0.996 39.711 38.487 0.379 0.000 1.241 368 N HN 0.420 nan 8.380 nan 0.000 0.485 369 V N 3.718 123.702 119.914 0.116 0.000 2.295 369 V HA -0.139 3.981 4.120 0.000 0.000 0.246 369 V C 2.468 178.607 176.094 0.076 0.000 1.049 369 V CA 2.068 64.425 62.300 0.094 0.000 1.024 369 V CB -1.389 30.492 31.823 0.097 0.000 0.648 369 V HN 0.677 nan 8.190 nan 0.000 0.447 370 G N 0.049 108.889 108.800 0.067 0.000 2.469 370 G HA2 -0.220 3.740 3.960 0.000 0.000 0.219 370 G HA3 -0.220 3.740 3.960 0.000 0.000 0.219 370 G C 1.554 176.458 174.900 0.006 0.000 1.150 370 G CA 1.139 46.260 45.100 0.035 0.000 0.763 370 G HN 0.496 nan 8.290 nan 0.000 0.561 371 L N 0.632 121.853 121.223 -0.004 0.000 2.529 371 L HA 0.174 4.514 4.340 0.000 0.000 0.223 371 L C 0.643 177.511 176.870 -0.003 0.000 1.113 371 L CA -0.125 54.671 54.840 -0.074 0.000 0.861 371 L CB 0.140 42.025 42.059 -0.289 0.000 1.012 371 L HN 0.055 nan 8.230 nan 0.000 0.461 372 S N 0.325 116.061 115.700 0.061 0.000 2.554 372 S HA 0.570 5.040 4.470 0.000 0.000 0.278 372 S C -0.188 174.439 174.600 0.045 0.000 1.242 372 S CA -0.596 57.649 58.200 0.074 0.000 1.051 372 S CB 1.991 65.251 63.200 0.100 0.000 0.986 372 S HN 0.075 nan 8.310 nan 0.000 0.502 373 V N -0.526 119.411 119.914 0.038 0.000 3.188 373 V HA 0.849 4.969 4.120 0.000 0.000 0.305 373 V C -0.535 175.573 176.094 0.024 0.000 1.232 373 V CA -0.908 61.408 62.300 0.027 0.000 1.043 373 V CB 1.843 33.677 31.823 0.018 0.000 1.068 373 V HN 0.697 nan 8.190 nan 0.000 0.439 374 S N 0.385 116.096 115.700 0.017 0.000 2.566 374 S HA 0.473 4.944 4.470 0.000 0.000 0.324 374 S C 0.736 175.342 174.600 0.010 0.000 1.081 374 S CA -0.621 57.586 58.200 0.012 0.000 1.105 374 S CB 1.096 64.300 63.200 0.007 0.000 0.981 374 S HN 0.815 nan 8.310 nan 0.000 0.464 375 R N 2.877 123.384 120.500 0.011 0.000 2.127 375 R HA -0.072 4.268 4.340 0.000 0.000 0.238 375 R C 1.727 178.032 176.300 0.009 0.000 1.134 375 R CA 1.683 57.790 56.100 0.011 0.000 0.975 375 R CB -0.334 29.974 30.300 0.014 0.000 0.865 375 R HN 0.633 nan 8.270 nan 0.000 0.447 376 V N -0.211 119.707 119.914 0.005 0.000 2.307 376 V HA -0.073 4.047 4.120 0.000 0.000 0.245 376 V C 1.609 177.705 176.094 0.003 0.000 1.045 376 V CA 1.612 63.913 62.300 0.003 0.000 1.024 376 V CB -1.021 30.799 31.823 -0.005 0.000 0.651 376 V HN 0.751 nan 8.190 nan 0.000 0.449 377 G N -0.255 108.547 108.800 0.002 0.000 2.525 377 G HA2 -0.334 3.626 3.960 0.000 0.000 0.248 377 G HA3 -0.334 3.626 3.960 0.000 0.000 0.248 377 G C 0.845 175.745 174.900 0.001 0.000 1.238 377 G CA 0.288 45.390 45.100 0.003 0.000 0.926 377 G HN 0.311 nan 8.290 nan 0.000 0.574 378 S N 0.324 116.025 115.700 0.002 0.000 2.381 378 S HA -0.174 4.296 4.470 0.000 0.000 0.230 378 S C 2.878 177.480 174.600 0.004 0.000 1.052 378 S CA 3.003 61.204 58.200 0.002 0.000 1.068 378 S CB -0.871 62.330 63.200 0.002 0.000 0.918 378 S HN 1.938 nan 8.310 nan 0.000 0.448 379 A N 0.476 123.301 122.820 0.007 0.000 2.204 379 A HA 0.057 4.377 4.320 0.000 0.000 0.220 379 A C 1.738 179.328 177.584 0.009 0.000 1.165 379 A CA 1.594 53.641 52.037 0.016 0.000 0.671 379 A CB -0.573 18.441 19.000 0.023 0.000 0.792 379 A HN 0.571 nan 8.150 nan 0.000 0.473 380 A N -1.533 121.282 122.820 -0.009 0.000 2.545 380 A HA 0.452 4.772 4.320 0.000 0.000 0.277 380 A C 0.446 178.009 177.584 -0.035 0.000 1.301 380 A CA 0.028 52.044 52.037 -0.034 0.000 0.935 380 A CB -0.045 18.930 19.000 -0.041 0.000 1.093 380 A HN 0.543 nan 8.150 nan 0.000 0.519 381 Q N 0.243 120.032 119.800 -0.018 0.000 2.356 381 Q HA 0.519 4.859 4.340 0.000 0.000 0.270 381 Q C -1.252 174.746 176.000 -0.004 0.000 1.058 381 Q CA -0.591 55.206 55.803 -0.010 0.000 0.802 381 Q CB 2.224 30.962 28.738 0.001 0.000 1.303 381 Q HN 0.091 nan 8.270 nan 0.000 0.444 382 V N 5.193 125.107 119.914 0.000 0.000 2.475 382 V HA -0.119 4.001 4.120 0.000 0.000 0.292 382 V C 1.486 177.589 176.094 0.016 0.000 1.003 382 V CA 0.782 63.089 62.300 0.011 0.000 1.120 382 V CB 0.485 32.324 31.823 0.027 0.000 0.937 382 V HN 0.894 nan 8.190 nan 0.000 0.476 383 K N 5.103 125.512 120.400 0.014 0.000 2.089 383 K HA -0.256 4.064 4.320 0.000 0.000 0.210 383 K C 2.105 178.713 176.600 0.014 0.000 1.048 383 K CA 1.877 58.172 56.287 0.013 0.000 0.926 383 K CB -0.224 32.283 32.500 0.011 0.000 0.714 383 K HN 0.840 nan 8.250 nan 0.000 0.448 384 A N 1.062 123.891 122.820 0.015 0.000 1.903 384 A HA -0.223 4.097 4.320 0.000 0.000 0.219 384 A C 2.055 179.653 177.584 0.025 0.000 1.191 384 A CA 1.866 53.911 52.037 0.014 0.000 0.638 384 A CB -0.819 18.189 19.000 0.013 0.000 0.823 384 A HN 0.414 nan 8.150 nan 0.000 0.451 385 L N -0.174 121.067 121.223 0.031 0.000 2.093 385 L HA -0.101 4.239 4.340 0.000 0.000 0.208 385 L C 2.236 179.127 176.870 0.035 0.000 1.085 385 L CA 2.533 57.397 54.840 0.040 0.000 0.755 385 L CB -0.613 41.470 42.059 0.040 0.000 0.904 385 L HN 0.470 nan 8.230 nan 0.000 0.435 386 K N -0.855 119.559 120.400 0.024 0.000 2.097 386 K HA -0.199 4.122 4.320 0.000 0.000 0.205 386 K C 2.022 178.632 176.600 0.016 0.000 1.050 386 K CA 1.568 57.864 56.287 0.016 0.000 0.938 386 K CB -0.030 32.476 32.500 0.010 0.000 0.718 386 K HN 0.525 nan 8.250 nan 0.000 0.442 387 Q N 0.112 119.924 119.800 0.021 0.000 2.170 387 Q HA -0.119 4.221 4.340 0.000 0.000 0.203 387 Q C 1.980 178.006 176.000 0.043 0.000 0.976 387 Q CA 1.660 57.476 55.803 0.023 0.000 0.858 387 Q CB 0.082 28.831 28.738 0.017 0.000 0.907 387 Q HN 0.337 nan 8.270 nan 0.000 0.433 388 V N -3.862 116.090 119.914 0.063 0.000 3.235 388 V HA 0.255 4.375 4.120 0.000 0.000 0.259 388 V C 1.541 177.679 176.094 0.073 0.000 1.133 388 V CA 1.076 63.442 62.300 0.110 0.000 1.128 388 V CB 0.036 31.959 31.823 0.166 0.000 0.757 388 V HN 0.190 nan 8.190 nan 0.000 0.469 389 A N 0.723 123.565 122.820 0.037 0.000 2.303 389 A HA 0.476 4.796 4.320 0.000 0.000 0.217 389 A C 2.135 179.699 177.584 -0.034 0.000 1.205 389 A CA 0.719 52.763 52.037 0.011 0.000 0.875 389 A CB -0.616 18.397 19.000 0.022 0.000 0.910 389 A HN 0.617 nan 8.150 nan 0.000 0.501 390 G N 1.095 109.872 108.800 -0.039 0.000 2.597 390 G HA2 -0.249 3.711 3.960 0.000 0.000 0.222 390 G HA3 -0.249 3.711 3.960 0.000 0.000 0.222 390 G C 1.154 175.970 174.900 -0.138 0.000 1.135 390 G CA 1.488 46.548 45.100 -0.068 0.000 0.759 390 G HN 1.135 nan 8.290 nan 0.000 0.595 391 S N -0.654 114.909 115.700 -0.228 0.000 2.514 391 S HA 0.577 5.047 4.470 0.000 0.000 0.179 391 S C 0.315 174.667 174.600 -0.414 0.000 1.409 391 S CA -0.629 57.286 58.200 -0.475 0.000 1.138 391 S CB 1.128 63.807 63.200 -0.869 0.000 1.217 391 S HN 0.205 nan 8.310 nan 0.000 0.493 392 L N 1.999 123.125 121.223 -0.163 0.000 2.815 392 L HA 0.407 4.747 4.340 0.000 0.000 0.241 392 L C 1.912 178.788 176.870 0.010 0.000 1.047 392 L CA 0.944 55.769 54.840 -0.025 0.000 0.939 392 L CB -0.181 41.887 42.059 0.016 0.000 1.490 392 L HN 0.451 nan 8.230 nan 0.000 0.510 393 K N -0.105 120.287 120.400 -0.014 0.000 2.147 393 K HA -0.147 4.173 4.320 0.000 0.000 0.205 393 K C 1.809 178.416 176.600 0.011 0.000 1.049 393 K CA 1.728 58.019 56.287 0.006 0.000 0.936 393 K CB -0.479 32.017 32.500 -0.006 0.000 0.722 393 K HN 0.361 nan 8.250 nan 0.000 0.446 394 L N 0.365 121.563 121.223 -0.042 0.000 2.062 394 L HA 0.001 4.341 4.340 0.000 0.000 0.202 394 L C 2.190 179.117 176.870 0.095 0.000 1.079 394 L CA 1.391 56.209 54.840 -0.038 0.000 0.755 394 L CB -0.579 41.372 42.059 -0.181 0.000 0.913 394 L HN 0.060 nan 8.230 nan 0.000 0.445 395 F N 0.811 120.776 119.950 0.025 0.000 2.154 395 F HA -0.225 4.302 4.527 0.000 0.000 0.301 395 F C 2.666 178.505 175.800 0.065 0.000 1.087 395 F CA 1.066 59.081 58.000 0.025 0.000 1.274 395 F CB -0.990 38.000 39.000 -0.017 0.000 1.009 395 F HN 0.093 nan 8.300 nan 0.000 0.485 396 L N -1.116 120.257 121.223 0.251 0.000 2.179 396 L HA -0.087 4.254 4.340 0.000 0.000 0.208 396 L C 2.656 179.655 176.870 0.215 0.000 1.096 396 L CA 0.901 55.880 54.840 0.231 0.000 0.779 396 L CB -1.047 41.108 42.059 0.160 0.000 0.922 396 L HN 0.090 nan 8.230 nan 0.000 0.443 397 A N 0.226 123.138 122.820 0.153 0.000 1.892 397 A HA -0.281 4.039 4.320 0.000 0.000 0.218 397 A C 2.150 179.807 177.584 0.122 0.000 1.188 397 A CA 1.919 54.023 52.037 0.112 0.000 0.631 397 A CB -0.435 18.611 19.000 0.077 0.000 0.822 397 A HN 0.528 nan 8.150 nan 0.000 0.447 398 Q N -2.823 117.071 119.800 0.157 0.000 2.354 398 Q HA 0.015 4.355 4.340 0.000 0.000 0.203 398 Q C 1.798 177.892 176.000 0.157 0.000 0.933 398 Q CA 0.912 56.799 55.803 0.139 0.000 0.901 398 Q CB -0.133 28.693 28.738 0.147 0.000 1.007 398 Q HN 0.851 nan 8.270 nan 0.000 0.495 399 Y N 1.581 121.923 120.300 0.069 0.000 2.263 399 Y HA -0.063 4.487 4.550 0.000 0.000 0.292 399 Y C 1.782 177.717 175.900 0.057 0.000 1.130 399 Y CA 1.289 59.419 58.100 0.049 0.000 1.179 399 Y CB 0.212 38.699 38.460 0.044 0.000 0.998 399 Y HN -0.135 nan 8.280 nan 0.000 0.532 400 R N 0.374 120.845 120.500 -0.047 0.000 2.115 400 R HA -0.095 4.246 4.340 0.000 0.000 0.226 400 R C 1.846 178.096 176.300 -0.083 0.000 1.100 400 R CA 1.525 57.547 56.100 -0.130 0.000 0.980 400 R CB -0.367 29.940 30.300 0.013 0.000 0.875 400 R HN 0.465 nan 8.270 nan 0.000 0.445 401 E N 0.529 120.723 120.200 -0.010 0.000 2.401 401 E HA -0.086 4.264 4.350 0.000 0.000 0.199 401 E C 0.622 177.260 176.600 0.063 0.000 1.023 401 E CA 0.708 57.124 56.400 0.026 0.000 0.859 401 E CB 0.314 30.042 29.700 0.047 0.000 0.780 401 E HN 0.126 nan 8.360 nan 0.000 0.523 402 V N -0.330 119.597 119.914 0.021 0.000 3.166 402 V HA 0.218 4.338 4.120 0.000 0.000 0.332 402 V C 1.357 177.463 176.094 0.019 0.000 1.434 402 V CA 0.448 62.827 62.300 0.132 0.000 1.121 402 V CB 0.711 32.557 31.823 0.038 0.000 1.062 402 V HN 0.195 nan 8.190 nan 0.000 0.489 403 A N 0.902 123.630 122.820 -0.153 0.000 1.972 403 A HA 0.067 4.387 4.320 0.000 0.000 0.219 403 A C 1.964 179.486 177.584 -0.104 0.000 1.169 403 A CA 1.806 53.689 52.037 -0.256 0.000 0.635 403 A CB -0.111 18.726 19.000 -0.272 0.000 0.810 403 A HN 0.703 nan 8.150 nan 0.000 0.446 404 A N -2.247 120.529 122.820 -0.073 0.000 2.411 404 A HA 0.518 4.838 4.320 0.000 0.000 0.251 404 A C 0.656 178.129 177.584 -0.186 0.000 1.317 404 A CA -0.281 51.685 52.037 -0.119 0.000 0.904 404 A CB -0.682 18.224 19.000 -0.156 0.000 0.993 404 A HN 0.395 nan 8.150 nan 0.000 0.504 405 F N -1.089 118.825 119.950 -0.061 0.000 2.639 405 F HA 0.306 4.834 4.527 0.000 0.000 0.300 405 F C 1.939 177.722 175.800 -0.029 0.000 1.109 405 F CA 0.503 58.479 58.000 -0.040 0.000 1.335 405 F CB 0.473 39.450 39.000 -0.038 0.000 1.014 405 F HN 0.358 nan 8.300 nan 0.000 0.537 406 A N -0.634 122.241 122.820 0.091 0.000 1.861 406 A HA 0.007 4.327 4.320 0.000 0.000 0.212 406 A C 1.350 178.961 177.584 0.045 0.000 1.199 406 A CA 0.506 52.582 52.037 0.066 0.000 0.613 406 A CB -0.320 18.704 19.000 0.039 0.000 0.846 406 A HN 0.268 nan 8.150 nan 0.000 0.446 411 D N 1.583 122.005 120.400 0.037 0.000 2.607 411 D HA 0.584 5.224 4.640 0.000 0.000 0.318 411 D C -0.947 175.379 176.300 0.045 0.000 1.212 411 D CA 0.037 54.059 54.000 0.037 0.000 0.861 411 D CB 0.743 41.567 40.800 0.040 0.000 1.064 411 D HN 0.450 nan 8.370 nan 0.000 0.500 412 L N 1.285 122.526 121.223 0.030 0.000 2.334 412 L HA 0.482 4.822 4.340 0.000 0.000 0.275 412 L C 0.173 177.041 176.870 -0.003 0.000 1.036 412 L CA -0.936 53.916 54.840 0.019 0.000 0.807 412 L CB 1.352 43.423 42.059 0.019 0.000 1.231 412 L HN 0.134 nan 8.230 nan 0.000 0.438 413 D N 1.829 122.216 120.400 -0.021 0.000 2.185 413 D HA 0.277 4.917 4.640 0.000 0.000 0.247 413 D C 0.522 176.798 176.300 -0.040 0.000 1.027 413 D CA -0.628 53.354 54.000 -0.030 0.000 0.861 413 D CB 2.119 42.898 40.800 -0.035 0.000 1.202 413 D HN 0.526 nan 8.370 nan 0.000 0.453 414 A N 2.209 125.007 122.820 -0.036 0.000 2.076 414 A HA -0.180 4.140 4.320 0.000 0.000 0.220 414 A C 2.125 179.677 177.584 -0.053 0.000 1.160 414 A CA 1.700 53.711 52.037 -0.042 0.000 0.653 414 A CB -0.503 18.475 19.000 -0.038 0.000 0.801 414 A HN 0.588 nan 8.150 nan 0.000 0.455 415 S N -0.325 115.343 115.700 -0.054 0.000 2.343 415 S HA -0.153 4.317 4.470 0.000 0.000 0.219 415 S C 2.183 176.738 174.600 -0.076 0.000 1.033 415 S CA 2.418 60.581 58.200 -0.061 0.000 1.014 415 S CB -0.528 62.638 63.200 -0.056 0.000 0.915 415 S HN 0.816 nan 8.310 nan 0.000 0.435 416 T N -0.870 113.630 114.554 -0.091 0.000 3.067 416 T HA 0.184 4.534 4.350 0.000 0.000 0.257 416 T C 1.668 176.315 174.700 -0.088 0.000 1.105 416 T CA 0.672 62.703 62.100 -0.114 0.000 1.104 416 T CB -0.225 68.529 68.868 -0.190 0.000 0.925 416 T HN 0.353 nan 8.240 nan 0.000 0.498 417 K N 0.718 121.078 120.400 -0.067 0.000 2.362 417 K HA -0.130 4.190 4.320 0.000 0.000 0.200 417 K C 2.242 178.808 176.600 -0.056 0.000 1.046 417 K CA 0.737 56.998 56.287 -0.044 0.000 0.952 417 K CB -0.128 32.351 32.500 -0.036 0.000 0.753 417 K HN 0.261 nan 8.250 nan 0.000 0.466 418 Q N 0.415 120.168 119.800 -0.079 0.000 2.029 418 Q HA -0.162 4.179 4.340 0.000 0.000 0.209 418 Q C 1.727 177.647 176.000 -0.133 0.000 0.999 418 Q CA 3.127 58.863 55.803 -0.111 0.000 0.857 418 Q CB -0.512 28.153 28.738 -0.121 0.000 0.926 418 Q HN 0.391 nan 8.270 nan 0.000 0.415 419 T N 0.610 115.099 114.554 -0.108 0.000 2.833 419 T HA -0.102 4.248 4.350 0.000 0.000 0.269 419 T C 1.754 176.467 174.700 0.022 0.000 1.054 419 T CA 0.972 63.025 62.100 -0.078 0.000 1.135 419 T CB -0.235 68.641 68.868 0.013 0.000 0.869 419 T HN 0.162 nan 8.240 nan 0.000 0.466 420 L N 0.922 122.178 121.223 0.056 0.000 1.989 420 L HA -0.133 4.207 4.340 0.000 0.000 0.211 420 L C 2.741 179.628 176.870 0.028 0.000 1.071 420 L CA 1.487 56.398 54.840 0.118 0.000 0.749 420 L CB -0.776 41.326 42.059 0.071 0.000 0.890 420 L HN 0.210 nan 8.230 nan 0.000 0.431 421 V N -0.434 119.453 119.914 -0.046 0.000 2.343 421 V HA -0.272 3.848 4.120 0.000 0.000 0.247 421 V C 2.580 178.582 176.094 -0.152 0.000 1.051 421 V CA 1.869 64.116 62.300 -0.089 0.000 1.036 421 V CB -0.783 30.980 31.823 -0.101 0.000 0.654 421 V HN 0.420 nan 8.190 nan 0.000 0.451 422 R N 1.604 121.983 120.500 -0.201 0.000 2.088 422 R HA -0.090 4.250 4.340 0.000 0.000 0.232 422 R C 2.342 178.429 176.300 -0.355 0.000 1.136 422 R CA 2.245 58.174 56.100 -0.285 0.000 0.926 422 R CB -1.513 28.559 30.300 -0.381 0.000 0.837 422 R HN 0.408 nan 8.270 nan 0.000 0.429 423 G N 0.009 108.479 108.800 -0.550 0.000 2.442 423 G HA2 -0.260 3.700 3.960 0.000 0.000 0.219 423 G HA3 -0.260 3.700 3.960 0.000 0.000 0.219 423 G C 1.244 175.660 174.900 -0.806 0.000 1.141 423 G CA 0.886 45.306 45.100 -1.132 0.000 0.763 423 G HN 0.519 nan 8.290 nan 0.000 0.554 424 E N -0.204 119.734 120.200 -0.437 0.000 2.204 424 E HA -0.082 4.268 4.350 0.000 0.000 0.195 424 E C 2.676 179.197 176.600 -0.132 0.000 0.990 424 E CA 0.660 56.969 56.400 -0.152 0.000 0.821 424 E CB -0.007 29.675 29.700 -0.030 0.000 0.750 424 E HN 0.347 nan 8.360 nan 0.000 0.477 425 R N -0.347 120.054 120.500 -0.166 0.000 2.206 425 R HA 0.125 4.465 4.340 0.000 0.000 0.198 425 R C 2.186 178.417 176.300 -0.115 0.000 0.986 425 R CA 0.087 56.108 56.100 -0.131 0.000 1.029 425 R CB 0.151 30.359 30.300 -0.152 0.000 0.966 425 R HN 0.080 nan 8.270 nan 0.000 0.487 426 L N 0.050 121.187 121.223 -0.143 0.000 2.046 426 L HA -0.178 4.163 4.340 0.000 0.000 0.208 426 L C 2.031 178.862 176.870 -0.065 0.000 1.077 426 L CA 1.456 56.240 54.840 -0.093 0.000 0.747 426 L CB -0.670 41.325 42.059 -0.106 0.000 0.896 426 L HN 0.206 nan 8.230 nan 0.000 0.432 427 T N -1.212 113.286 114.554 -0.093 0.000 2.635 427 T HA -0.325 4.025 4.350 0.000 0.000 0.267 427 T C 1.858 176.549 174.700 -0.015 0.000 1.040 427 T CA 1.740 63.822 62.100 -0.031 0.000 1.156 427 T CB -0.235 68.629 68.868 -0.005 0.000 0.863 427 T HN 0.228 nan 8.240 nan 0.000 0.430 428 Q N 0.110 119.895 119.800 -0.026 0.000 2.291 428 Q HA 0.136 4.477 4.340 0.000 0.000 0.205 428 Q C 2.016 178.019 176.000 0.005 0.000 0.970 428 Q CA 0.798 56.594 55.803 -0.011 0.000 0.876 428 Q CB -0.363 28.364 28.738 -0.019 0.000 0.935 428 Q HN 0.499 nan 8.270 nan 0.000 0.455 429 L N -0.806 120.419 121.223 0.003 0.000 2.068 429 L HA -0.079 4.262 4.340 0.000 0.000 0.204 429 L C 1.660 178.552 176.870 0.037 0.000 1.076 429 L CA 0.832 55.692 54.840 0.034 0.000 0.753 429 L CB -0.062 42.016 42.059 0.033 0.000 0.910 429 L HN 0.295 nan 8.230 nan 0.000 0.439 430 L N -0.813 120.425 121.223 0.024 0.000 2.465 430 L HA -0.067 4.273 4.340 0.000 0.000 0.224 430 L C 1.035 177.915 176.870 0.016 0.000 1.145 430 L CA 0.276 55.132 54.840 0.027 0.000 0.834 430 L CB -0.575 41.501 42.059 0.028 0.000 0.944 430 L HN 0.088 nan 8.230 nan 0.000 0.451 431 K N 1.114 121.518 120.400 0.008 0.000 2.380 431 K HA 0.170 4.490 4.320 0.000 0.000 0.267 431 K C -0.129 176.468 176.600 -0.005 0.000 0.990 431 K CA 0.502 56.784 56.287 -0.009 0.000 0.946 431 K CB 0.595 33.087 32.500 -0.013 0.000 0.937 431 K HN 0.034 nan 8.250 nan 0.000 0.491 432 Q N 0.892 120.677 119.800 -0.025 0.000 2.527 432 Q HA 0.175 4.515 4.340 0.000 0.000 0.280 432 Q C -1.524 174.448 176.000 -0.046 0.000 0.977 432 Q CA -0.746 55.044 55.803 -0.021 0.000 0.837 432 Q CB 1.610 30.340 28.738 -0.014 0.000 1.454 432 Q HN 0.557 nan 8.270 nan 0.000 0.387 433 N N 1.870 120.549 118.700 -0.034 0.000 2.515 433 N HA 0.129 4.869 4.740 0.000 0.000 0.279 433 N C -0.830 174.628 175.510 -0.087 0.000 1.164 433 N CA -0.320 52.700 53.050 -0.050 0.000 0.982 433 N CB 1.069 39.549 38.487 -0.011 0.000 1.170 433 N HN 0.519 nan 8.380 nan 0.000 0.474 434 Q N 0.256 119.954 119.800 -0.170 0.000 2.340 434 Q HA 0.025 4.365 4.340 0.000 0.000 0.249 434 Q C -0.497 175.324 176.000 -0.299 0.000 0.957 434 Q CA -0.014 55.573 55.803 -0.360 0.000 0.882 434 Q CB 0.348 28.705 28.738 -0.635 0.000 1.235 434 Q HN 0.594 nan 8.270 nan 0.000 0.439 435 Y N -0.933 119.346 120.300 -0.035 0.000 4.907 435 Y HA -0.249 4.302 4.550 0.000 0.000 0.246 435 Y C -0.016 175.876 175.900 -0.013 0.000 0.968 435 Y CA 0.864 58.922 58.100 -0.071 0.000 1.961 435 Y CB -2.024 36.392 38.460 -0.072 0.000 1.487 435 Y HN 0.382 nan 8.280 nan 0.000 0.575 436 S N 1.338 117.093 115.700 0.093 0.000 2.222 436 S HA 0.437 4.907 4.470 0.000 0.000 0.173 436 S C -2.398 172.230 174.600 0.046 0.000 1.466 436 S CA -0.947 57.299 58.200 0.076 0.000 1.184 436 S CB 1.070 64.305 63.200 0.059 0.000 1.168 436 S HN 0.051 nan 8.310 nan 0.000 0.475 437 P HA 0.404 nan 4.420 nan 0.000 0.281 437 P C -0.795 176.524 177.300 0.031 0.000 1.249 437 P CA -0.577 62.549 63.100 0.043 0.000 0.810 437 P CB 0.799 32.533 31.700 0.057 0.000 1.008 438 L N 1.371 122.613 121.223 0.032 0.000 2.307 438 L HA 0.599 4.939 4.340 0.000 0.000 0.284 438 L C 0.761 177.645 176.870 0.023 0.000 1.023 438 L CA -1.161 53.690 54.840 0.018 0.000 0.810 438 L CB 1.522 43.595 42.059 0.024 0.000 1.231 438 L HN 0.404 nan 8.230 nan 0.000 0.423 439 A N 1.979 124.789 122.820 -0.016 0.000 2.466 439 A HA 0.202 4.522 4.320 0.000 0.000 0.238 439 A C 1.287 178.886 177.584 0.024 0.000 1.074 439 A CA -0.045 51.980 52.037 -0.020 0.000 0.774 439 A CB 0.217 19.153 19.000 -0.107 0.000 1.015 439 A HN 0.881 nan 8.150 nan 0.000 0.498 440 T N 1.026 115.622 114.554 0.070 0.000 2.778 440 T HA -0.172 4.178 4.350 0.000 0.000 0.269 440 T C 1.662 176.383 174.700 0.034 0.000 1.050 440 T CA 1.805 63.946 62.100 0.068 0.000 1.137 440 T CB -0.218 68.707 68.868 0.096 0.000 0.860 440 T HN 0.885 nan 8.240 nan 0.000 0.468 441 E N 1.918 122.123 120.200 0.009 0.000 2.274 441 E HA -0.162 4.188 4.350 0.000 0.000 0.194 441 E C 1.529 178.111 176.600 -0.030 0.000 0.996 441 E CA 1.016 57.406 56.400 -0.016 0.000 0.840 441 E CB -0.294 29.384 29.700 -0.036 0.000 0.772 441 E HN 0.609 nan 8.360 nan 0.000 0.491 442 E N 0.585 120.770 120.200 -0.026 0.000 2.299 442 E HA -0.054 4.296 4.350 0.000 0.000 0.193 442 E C 2.130 178.737 176.600 0.012 0.000 0.998 442 E CA 0.427 56.810 56.400 -0.028 0.000 0.851 442 E CB 0.090 29.773 29.700 -0.030 0.000 0.795 442 E HN 0.382 nan 8.360 nan 0.000 0.492 443 Q N 0.364 120.183 119.800 0.032 0.000 2.061 443 Q HA -0.074 4.266 4.340 0.000 0.000 0.195 443 Q C 2.632 178.682 176.000 0.084 0.000 0.967 443 Q CA 1.403 57.242 55.803 0.060 0.000 0.829 443 Q CB 0.031 28.805 28.738 0.059 0.000 0.900 443 Q HN 0.283 nan 8.270 nan 0.000 0.450 444 V N -0.462 119.494 119.914 0.070 0.000 2.626 444 V HA -0.073 4.048 4.120 0.000 0.000 0.252 444 V C -0.846 175.332 176.094 0.140 0.000 1.067 444 V CA 1.014 63.367 62.300 0.089 0.000 1.081 444 V CB -1.811 30.044 31.823 0.053 0.000 0.686 444 V HN 0.169 nan 8.190 nan 0.000 0.468 445 P HA -0.100 nan 4.420 nan 0.000 0.215 445 P C 2.121 179.659 177.300 0.398 0.000 1.157 445 P CA 1.550 64.793 63.100 0.238 0.000 0.859 445 P CB -0.043 31.718 31.700 0.103 0.000 0.786 446 L N -0.867 120.542 121.223 0.310 0.000 2.012 446 L HA -0.175 4.165 4.340 0.000 0.000 0.210 446 L C 2.818 179.842 176.870 0.257 0.000 1.073 446 L CA 1.513 56.554 54.840 0.335 0.000 0.748 446 L CB -1.007 41.198 42.059 0.242 0.000 0.891 446 L HN -0.155 nan 8.230 nan 0.000 0.431 447 I N -1.408 119.286 120.570 0.206 0.000 2.286 447 I HA -0.327 3.843 4.170 0.000 0.000 0.248 447 I C 2.559 178.786 176.117 0.183 0.000 1.115 447 I CA 1.286 62.682 61.300 0.161 0.000 1.392 447 I CB -0.396 37.682 38.000 0.130 0.000 1.065 447 I HN 0.210 nan 8.210 nan 0.000 0.418 448 Y N 1.912 122.287 120.300 0.126 0.000 2.181 448 Y HA -0.279 4.271 4.550 0.000 0.000 0.288 448 Y C 2.445 178.448 175.900 0.172 0.000 1.146 448 Y CA 1.227 59.408 58.100 0.134 0.000 1.164 448 Y CB -0.484 38.050 38.460 0.123 0.000 0.982 448 Y HN 0.102 nan 8.280 nan 0.000 0.515 449 A N 0.713 123.517 122.820 -0.026 0.000 1.865 449 A HA -0.147 4.174 4.320 0.000 0.000 0.217 449 A C 2.513 180.030 177.584 -0.113 0.000 1.191 449 A CA 2.152 54.118 52.037 -0.119 0.000 0.623 449 A CB -1.786 17.266 19.000 0.087 0.000 0.826 449 A HN 0.630 nan 8.150 nan 0.000 0.444 450 G N -0.772 107.998 108.800 -0.051 0.000 2.453 450 G HA2 -0.116 3.844 3.960 0.000 0.000 0.215 450 G HA3 -0.116 3.844 3.960 0.000 0.000 0.215 450 G C 1.514 176.385 174.900 -0.049 0.000 1.201 450 G CA 1.253 46.311 45.100 -0.070 0.000 0.784 450 G HN 0.350 nan 8.290 nan 0.000 0.545 451 V N 1.507 121.436 119.914 0.025 0.000 2.453 451 V HA -0.166 3.954 4.120 0.000 0.000 0.252 451 V C 2.217 178.393 176.094 0.137 0.000 1.068 451 V CA 1.821 64.211 62.300 0.150 0.000 1.070 451 V CB -0.350 31.559 31.823 0.144 0.000 0.664 451 V HN 0.334 nan 8.190 nan 0.000 0.461 452 N N -0.425 118.251 118.700 -0.039 0.000 2.336 452 N HA 0.140 4.880 4.740 0.000 0.000 0.189 452 N C 1.335 176.681 175.510 -0.274 0.000 1.113 452 N CA 0.979 53.968 53.050 -0.101 0.000 0.858 452 N CB 1.035 39.445 38.487 -0.127 0.000 0.970 452 N HN 0.572 nan 8.380 nan 0.000 0.471 453 G N 0.370 109.014 108.800 -0.261 0.000 2.140 453 G HA2 -0.240 3.720 3.960 0.000 0.000 0.211 453 G HA3 -0.240 3.720 3.960 0.000 0.000 0.211 453 G C 0.151 174.829 174.900 -0.371 0.000 1.013 453 G CA -0.105 44.813 45.100 -0.303 0.000 0.705 453 G HN 0.527 nan 8.290 nan 0.000 0.508 454 H N -0.751 118.193 119.070 -0.209 0.000 2.524 454 H HA 0.500 5.056 4.556 0.000 0.000 0.280 454 H C 1.949 177.115 175.328 -0.269 0.000 1.018 454 H CA 0.477 56.401 56.048 -0.207 0.000 1.165 454 H CB 0.337 29.972 29.762 -0.213 0.000 1.411 454 H HN 0.413 nan 8.280 nan 0.000 0.569 455 L N -0.221 120.874 121.223 -0.214 0.000 3.184 455 L HA 0.139 4.479 4.340 0.000 0.000 0.283 455 L C 0.165 176.894 176.870 -0.234 0.000 1.218 455 L CA -0.001 54.651 54.840 -0.312 0.000 1.028 455 L CB 0.807 42.628 42.059 -0.396 0.000 1.400 455 L HN 0.059 nan 8.230 nan 0.000 0.591 456 D N 0.767 121.052 120.400 -0.192 0.000 2.346 456 D HA 0.075 4.716 4.640 0.000 0.000 0.248 456 D C 1.535 177.756 176.300 -0.132 0.000 1.173 456 D CA 0.568 54.471 54.000 -0.162 0.000 0.878 456 D CB 0.491 41.193 40.800 -0.163 0.000 0.919 456 D HN 0.329 nan 8.370 nan 0.000 0.513 457 G N -0.485 108.234 108.800 -0.134 0.000 2.799 457 G HA2 0.140 4.100 3.960 0.000 0.000 0.201 457 G HA3 0.140 4.100 3.960 0.000 0.000 0.201 457 G C 0.388 175.225 174.900 -0.105 0.000 1.142 457 G CA -0.288 44.749 45.100 -0.105 0.000 0.910 457 G HN 0.176 nan 8.290 nan 0.000 0.710 458 I N 3.134 123.620 120.570 -0.140 0.000 2.352 458 I HA 0.201 4.371 4.170 0.000 0.000 0.290 458 I C 0.661 176.713 176.117 -0.109 0.000 1.036 458 I CA -0.664 60.557 61.300 -0.132 0.000 1.336 458 I CB 1.093 38.972 38.000 -0.202 0.000 1.407 458 I HN 0.344 nan 8.210 nan 0.000 0.497 459 E N 5.799 125.957 120.200 -0.071 0.000 2.418 459 E HA -0.051 4.299 4.350 0.000 0.000 0.261 459 E C 0.832 177.402 176.600 -0.050 0.000 1.070 459 E CA -0.562 55.806 56.400 -0.054 0.000 0.931 459 E CB 0.931 30.611 29.700 -0.034 0.000 0.954 459 E HN 0.508 nan 8.360 nan 0.000 0.439 460 L N 2.957 124.155 121.223 -0.041 0.000 2.013 460 L HA -0.261 4.079 4.340 0.000 0.000 0.212 460 L C 2.443 179.303 176.870 -0.017 0.000 1.073 460 L CA 2.714 57.534 54.840 -0.034 0.000 0.753 460 L CB -0.624 41.422 42.059 -0.022 0.000 0.890 460 L HN 0.847 nan 8.230 nan 0.000 0.432 461 S N -1.400 114.295 115.700 -0.008 0.000 2.515 461 S HA -0.072 4.398 4.470 0.000 0.000 0.231 461 S C 1.691 176.300 174.600 0.016 0.000 0.987 461 S CA 0.431 58.634 58.200 0.004 0.000 0.936 461 S CB -0.437 62.765 63.200 0.005 0.000 0.766 461 S HN 0.506 nan 8.310 nan 0.000 0.528 462 R N 0.049 120.559 120.500 0.017 0.000 2.468 462 R HA 0.372 4.712 4.340 0.000 0.000 0.280 462 R C 0.779 177.128 176.300 0.083 0.000 0.963 462 R CA -0.218 55.909 56.100 0.045 0.000 1.083 462 R CB 0.059 30.381 30.300 0.037 0.000 1.200 462 R HN 0.383 nan 8.270 nan 0.000 0.541 463 I N 0.295 120.900 120.570 0.058 0.000 2.353 463 I HA -0.071 4.099 4.170 0.000 0.000 0.248 463 I C 2.354 178.572 176.117 0.167 0.000 1.119 463 I CA 1.299 62.653 61.300 0.090 0.000 1.417 463 I CB -1.247 36.756 38.000 0.004 0.000 1.078 463 I HN 0.201 nan 8.210 nan 0.000 0.421 464 G N 1.944 110.808 108.800 0.108 0.000 2.469 464 G HA2 -0.278 3.682 3.960 0.000 0.000 0.219 464 G HA3 -0.278 3.682 3.960 0.000 0.000 0.219 464 G C 1.414 176.385 174.900 0.119 0.000 1.150 464 G CA 1.078 46.237 45.100 0.098 0.000 0.763 464 G HN 0.659 nan 8.290 nan 0.000 0.561 465 E N -0.771 119.507 120.200 0.130 0.000 2.435 465 E HA 0.105 4.455 4.350 0.000 0.000 0.195 465 E C 1.965 178.677 176.600 0.187 0.000 1.029 465 E CA -0.053 56.424 56.400 0.129 0.000 0.865 465 E CB -0.309 29.455 29.700 0.106 0.000 0.833 465 E HN 0.439 nan 8.360 nan 0.000 0.510 466 F N 2.649 122.664 119.950 0.108 0.000 2.060 466 F HA -0.120 4.407 4.527 0.000 0.000 0.295 466 F C 2.324 178.209 175.800 0.142 0.000 1.120 466 F CA 2.034 60.133 58.000 0.165 0.000 1.205 466 F CB -0.199 38.869 39.000 0.114 0.000 0.986 466 F HN 0.019 nan 8.300 nan 0.000 0.470 467 E N -0.120 120.238 120.200 0.263 0.000 2.065 467 E HA -0.334 4.016 4.350 0.000 0.000 0.201 467 E C 2.361 178.950 176.600 -0.019 0.000 1.016 467 E CA 1.994 58.478 56.400 0.141 0.000 0.818 467 E CB -0.670 29.151 29.700 0.202 0.000 0.749 467 E HN 0.447 nan 8.360 nan 0.000 0.453 468 S N -0.604 115.104 115.700 0.013 0.000 2.374 468 S HA -0.148 4.322 4.470 0.000 0.000 0.227 468 S C 1.978 176.535 174.600 -0.072 0.000 1.037 468 S CA 1.882 60.074 58.200 -0.014 0.000 1.024 468 S CB -0.271 62.944 63.200 0.025 0.000 0.861 468 S HN 0.331 nan 8.310 nan 0.000 0.456 469 S N -0.283 115.356 115.700 -0.101 0.000 2.548 469 S HA 0.261 4.731 4.470 0.000 0.000 0.215 469 S C 0.873 175.127 174.600 -0.576 0.000 0.976 469 S CA -0.065 58.044 58.200 -0.151 0.000 0.908 469 S CB -0.123 63.132 63.200 0.091 0.000 0.781 469 S HN 0.662 nan 8.310 nan 0.000 0.519 470 F N 1.289 120.701 119.950 -0.896 0.000 2.749 470 F HA 0.436 4.963 4.527 0.000 0.000 0.300 470 F C 1.121 176.671 175.800 -0.417 0.000 1.103 470 F CA -0.002 57.345 58.000 -1.088 0.000 1.342 470 F CB -0.045 38.075 39.000 -1.467 0.000 1.098 470 F HN 0.062 nan 8.300 nan 0.000 0.586 471 L N -0.707 120.286 121.223 -0.383 0.000 2.189 471 L HA -0.045 4.295 4.340 0.000 0.000 0.199 471 L C 2.666 179.392 176.870 -0.241 0.000 1.074 471 L CA 1.152 55.802 54.840 -0.316 0.000 0.783 471 L CB -0.747 41.210 42.059 -0.170 0.000 0.955 471 L HN 0.176 nan 8.230 nan 0.000 0.460 472 S N -0.375 115.230 115.700 -0.157 0.000 2.371 472 S HA -0.273 4.197 4.470 0.000 0.000 0.224 472 S C 2.085 176.639 174.600 -0.077 0.000 1.029 472 S CA 1.080 59.221 58.200 -0.099 0.000 0.978 472 S CB -0.954 62.215 63.200 -0.051 0.000 0.833 472 S HN 0.512 nan 8.310 nan 0.000 0.466 473 Y N 1.841 122.011 120.300 -0.216 0.000 2.333 473 Y HA 0.121 4.671 4.550 0.000 0.000 0.290 473 Y C 1.823 177.637 175.900 -0.142 0.000 1.144 473 Y CA 1.130 59.137 58.100 -0.155 0.000 1.228 473 Y CB -0.247 38.110 38.460 -0.172 0.000 0.985 473 Y HN 0.232 nan 8.280 nan 0.000 0.542 474 L N 0.177 121.155 121.223 -0.408 0.000 2.446 474 L HA 0.011 4.351 4.340 0.000 0.000 0.219 474 L C 2.324 179.039 176.870 -0.258 0.000 1.116 474 L CA 0.667 55.243 54.840 -0.441 0.000 0.844 474 L CB -0.173 41.538 42.059 -0.580 0.000 0.970 474 L HN 0.175 nan 8.230 nan 0.000 0.457 475 K N -1.103 119.170 120.400 -0.212 0.000 2.242 475 K HA -0.001 4.319 4.320 0.000 0.000 0.200 475 K C 2.127 178.646 176.600 -0.135 0.000 1.050 475 K CA 0.503 56.698 56.287 -0.152 0.000 0.981 475 K CB 0.411 32.835 32.500 -0.128 0.000 0.795 475 K HN 0.040 nan 8.250 nan 0.000 0.477 476 S N 0.944 116.559 115.700 -0.141 0.000 2.317 476 S HA -0.019 4.451 4.470 0.000 0.000 0.212 476 S C 1.517 176.004 174.600 -0.187 0.000 1.030 476 S CA 0.795 58.917 58.200 -0.130 0.000 0.970 476 S CB -0.226 62.918 63.200 -0.094 0.000 0.928 476 S HN 0.323 nan 8.310 nan 0.000 0.451 477 N N 0.988 119.528 118.700 -0.268 0.000 2.120 477 N HA -0.065 4.675 4.740 0.000 0.000 0.188 477 N C 0.280 175.410 175.510 -0.633 0.000 1.024 477 N CA 1.073 53.850 53.050 -0.454 0.000 0.852 477 N CB -0.234 37.921 38.487 -0.554 0.000 1.003 477 N HN 0.521 nan 8.380 nan 0.000 0.424 478 H N -0.552 118.369 119.070 -0.248 0.000 2.551 478 H HA 0.184 4.740 4.556 0.000 0.000 0.238 478 H C 0.403 175.627 175.328 -0.174 0.000 1.345 478 H CA -0.291 55.636 56.048 -0.202 0.000 1.105 478 H CB 0.071 29.693 29.762 -0.234 0.000 1.805 478 H HN 0.143 nan 8.280 nan 0.000 0.553 479 N N 1.428 120.075 118.700 -0.089 0.000 2.166 479 N HA -0.171 4.569 4.740 0.000 0.000 0.186 479 N C 1.439 176.911 175.510 -0.062 0.000 1.019 479 N CA 1.475 54.475 53.050 -0.083 0.000 0.856 479 N CB 0.522 38.957 38.487 -0.087 0.000 0.993 479 N HN 0.386 nan 8.380 nan 0.000 0.426 480 E N 0.454 120.624 120.200 -0.050 0.000 2.038 480 E HA -0.154 4.196 4.350 0.000 0.000 0.195 480 E C 1.948 178.527 176.600 -0.035 0.000 1.000 480 E CA 1.141 57.518 56.400 -0.038 0.000 0.803 480 E CB -0.532 29.151 29.700 -0.029 0.000 0.750 480 E HN 0.383 nan 8.360 nan 0.000 0.448 481 L N 0.295 121.503 121.223 -0.025 0.000 2.187 481 L HA -0.157 4.183 4.340 0.000 0.000 0.213 481 L C 2.225 179.056 176.870 -0.064 0.000 1.100 481 L CA 0.857 55.672 54.840 -0.042 0.000 0.765 481 L CB -0.579 41.449 42.059 -0.052 0.000 0.904 481 L HN 0.151 nan 8.230 nan 0.000 0.437 482 L N -1.109 120.072 121.223 -0.070 0.000 2.071 482 L HA -0.060 4.280 4.340 0.000 0.000 0.201 482 L C 2.597 179.433 176.870 -0.057 0.000 1.076 482 L CA 1.108 55.903 54.840 -0.075 0.000 0.755 482 L CB -1.114 40.889 42.059 -0.093 0.000 0.915 482 L HN 0.119 nan 8.230 nan 0.000 0.445 483 T N -0.761 113.760 114.554 -0.055 0.000 2.802 483 T HA -0.278 4.072 4.350 0.000 0.000 0.269 483 T C 1.646 176.325 174.700 -0.034 0.000 1.062 483 T CA 1.715 63.788 62.100 -0.046 0.000 1.133 483 T CB -0.259 68.581 68.868 -0.045 0.000 0.852 483 T HN 0.360 nan 8.240 nan 0.000 0.485 484 E N 0.604 120.784 120.200 -0.034 0.000 2.072 484 E HA -0.041 4.310 4.350 0.000 0.000 0.190 484 E C 2.082 178.669 176.600 -0.021 0.000 0.982 484 E CA 0.654 57.039 56.400 -0.026 0.000 0.803 484 E CB -0.201 29.482 29.700 -0.028 0.000 0.755 484 E HN 0.512 nan 8.360 nan 0.000 0.453 485 I N 0.673 121.226 120.570 -0.027 0.000 2.226 485 I HA -0.284 3.887 4.170 0.000 0.000 0.245 485 I C 2.762 178.878 176.117 -0.003 0.000 1.100 485 I CA 1.142 62.431 61.300 -0.019 0.000 1.374 485 I CB -0.311 37.673 38.000 -0.027 0.000 1.057 485 I HN 0.108 nan 8.210 nan 0.000 0.413 486 R N 1.097 121.592 120.500 -0.008 0.000 2.083 486 R HA -0.219 4.121 4.340 0.000 0.000 0.237 486 R C 2.078 178.392 176.300 0.023 0.000 1.137 486 R CA 1.977 58.080 56.100 0.006 0.000 0.951 486 R CB -0.071 30.217 30.300 -0.020 0.000 0.851 486 R HN 0.397 nan 8.270 nan 0.000 0.434 487 E N -0.654 119.552 120.200 0.010 0.000 2.140 487 E HA -0.036 4.314 4.350 0.000 0.000 0.191 487 E C 1.719 178.330 176.600 0.018 0.000 0.973 487 E CA 0.623 57.033 56.400 0.017 0.000 0.829 487 E CB 0.353 30.056 29.700 0.005 0.000 0.781 487 E HN 0.271 nan 8.360 nan 0.000 0.466 488 K N -0.508 119.897 120.400 0.009 0.000 2.365 488 K HA 0.064 4.384 4.320 0.000 0.000 0.197 488 K C 1.348 177.956 176.600 0.012 0.000 1.042 488 K CA 0.682 56.974 56.287 0.008 0.000 0.987 488 K CB 0.645 33.144 32.500 -0.001 0.000 0.779 488 K HN 0.242 nan 8.250 nan 0.000 0.484 489 G N 1.691 110.502 108.800 0.017 0.000 2.328 489 G HA2 -0.311 3.649 3.960 0.000 0.000 0.256 489 G HA3 -0.311 3.649 3.960 0.000 0.000 0.256 489 G C 0.212 175.122 174.900 0.015 0.000 1.014 489 G CA 0.760 45.874 45.100 0.023 0.000 0.620 489 G HN 0.432 nan 8.290 nan 0.000 0.530 490 E N -1.092 119.112 120.200 0.007 0.000 2.450 490 E HA 0.780 5.130 4.350 0.000 0.000 0.248 490 E C -0.434 176.161 176.600 -0.008 0.000 0.930 490 E CA -1.034 55.367 56.400 0.002 0.000 0.854 490 E CB 1.268 30.969 29.700 0.001 0.000 1.355 490 E HN 0.136 nan 8.360 nan 0.000 0.402 491 L N 1.450 122.665 121.223 -0.014 0.000 2.325 491 L HA 0.348 4.688 4.340 0.000 0.000 0.281 491 L C -0.562 176.291 176.870 -0.027 0.000 1.004 491 L CA -0.615 54.207 54.840 -0.030 0.000 0.823 491 L CB 1.762 43.796 42.059 -0.043 0.000 1.236 491 L HN 0.445 nan 8.230 nan 0.000 0.415 492 S N 2.009 117.691 115.700 -0.031 0.000 2.585 492 S HA 0.136 4.606 4.470 0.000 0.000 0.273 492 S C 1.053 175.634 174.600 -0.031 0.000 1.339 492 S CA -0.707 57.478 58.200 -0.025 0.000 1.028 492 S CB 1.252 64.438 63.200 -0.024 0.000 0.906 492 S HN 0.545 nan 8.310 nan 0.000 0.528 493 K N 1.397 121.785 120.400 -0.020 0.000 2.209 493 K HA -0.145 4.175 4.320 0.000 0.000 0.204 493 K C 1.520 178.107 176.600 -0.022 0.000 1.048 493 K CA 1.235 57.512 56.287 -0.017 0.000 0.940 493 K CB -0.111 32.386 32.500 -0.005 0.000 0.729 493 K HN 0.517 nan 8.250 nan 0.000 0.451 494 E N 1.071 121.258 120.200 -0.021 0.000 2.106 494 E HA -0.100 4.250 4.350 0.000 0.000 0.192 494 E C 1.854 178.432 176.600 -0.038 0.000 0.984 494 E CA 0.799 57.186 56.400 -0.022 0.000 0.806 494 E CB -0.068 29.621 29.700 -0.017 0.000 0.750 494 E HN 0.181 nan 8.360 nan 0.000 0.458 495 L N -0.135 121.058 121.223 -0.049 0.000 2.179 495 L HA -0.076 4.264 4.340 0.000 0.000 0.208 495 L C 2.042 178.842 176.870 -0.117 0.000 1.096 495 L CA 0.507 55.303 54.840 -0.074 0.000 0.779 495 L CB -0.114 41.904 42.059 -0.069 0.000 0.922 495 L HN 0.166 nan 8.230 nan 0.000 0.443 496 L N -0.713 120.443 121.223 -0.112 0.000 2.056 496 L HA -0.184 4.157 4.340 0.000 0.000 0.207 496 L C 2.767 179.566 176.870 -0.119 0.000 1.078 496 L CA 1.255 56.000 54.840 -0.157 0.000 0.749 496 L CB -0.609 41.396 42.059 -0.090 0.000 0.901 496 L HN 0.225 nan 8.230 nan 0.000 0.433 497 A N -1.366 121.419 122.820 -0.057 0.000 1.897 497 A HA -0.138 4.182 4.320 0.000 0.000 0.215 497 A C 2.397 179.961 177.584 -0.033 0.000 1.181 497 A CA 1.666 53.689 52.037 -0.022 0.000 0.620 497 A CB -0.516 18.481 19.000 -0.005 0.000 0.821 497 A HN 0.299 nan 8.150 nan 0.000 0.443 498 S N -0.847 114.821 115.700 -0.053 0.000 2.603 498 S HA 0.039 4.509 4.470 0.000 0.000 0.229 498 S C 1.465 176.005 174.600 -0.100 0.000 0.972 498 S CA 0.748 58.912 58.200 -0.061 0.000 0.935 498 S CB -0.150 63.019 63.200 -0.052 0.000 0.769 498 S HN 0.411 nan 8.310 nan 0.000 0.536 499 L N 1.493 122.640 121.223 -0.126 0.000 2.349 499 L HA 0.311 4.651 4.340 0.000 0.000 0.200 499 L C 2.045 178.896 176.870 -0.032 0.000 1.064 499 L CA 1.286 56.038 54.840 -0.147 0.000 0.821 499 L CB -0.603 41.242 42.059 -0.357 0.000 1.027 499 L HN 0.020 nan 8.230 nan 0.000 0.476 500 K N -0.902 119.487 120.400 -0.018 0.000 2.052 500 K HA -0.269 4.051 4.320 0.000 0.000 0.215 500 K C 2.201 178.849 176.600 0.078 0.000 1.053 500 K CA 2.207 58.562 56.287 0.113 0.000 0.934 500 K CB -0.364 32.204 32.500 0.113 0.000 0.717 500 K HN 0.340 nan 8.250 nan 0.000 0.450 501 S N -0.671 115.056 115.700 0.046 0.000 2.371 501 S HA -0.003 4.467 4.470 0.000 0.000 0.224 501 S C 1.808 176.440 174.600 0.053 0.000 1.029 501 S CA 1.005 59.235 58.200 0.050 0.000 0.978 501 S CB -0.189 63.031 63.200 0.033 0.000 0.833 501 S HN 0.512 nan 8.310 nan 0.000 0.466 502 A N 0.032 122.844 122.820 -0.013 0.000 2.168 502 A HA 0.082 4.402 4.320 0.000 0.000 0.215 502 A C 2.081 179.817 177.584 0.254 0.000 1.152 502 A CA 1.528 53.521 52.037 -0.074 0.000 0.716 502 A CB -0.704 18.046 19.000 -0.417 0.000 0.794 502 A HN 0.534 nan 8.150 nan 0.000 0.465 503 T N -0.352 114.364 114.554 0.270 0.000 2.818 503 T HA -0.042 4.308 4.350 0.000 0.000 0.246 503 T C 1.607 176.401 174.700 0.157 0.000 1.036 503 T CA 1.144 63.423 62.100 0.299 0.000 1.160 503 T CB -0.229 68.712 68.868 0.122 0.000 0.869 503 T HN 0.587 nan 8.240 nan 0.000 0.419 504 E N 1.168 121.406 120.200 0.062 0.000 2.393 504 E HA -0.108 4.242 4.350 0.000 0.000 0.201 504 E C 2.151 178.833 176.600 0.137 0.000 1.025 504 E CA 0.574 57.028 56.400 0.089 0.000 0.856 504 E CB -0.075 29.684 29.700 0.099 0.000 0.771 504 E HN 0.248 nan 8.360 nan 0.000 0.526 505 S N -0.374 115.452 115.700 0.209 0.000 2.377 505 S HA -0.079 4.391 4.470 0.000 0.000 0.223 505 S C 1.473 176.235 174.600 0.269 0.000 1.030 505 S CA 0.444 58.796 58.200 0.253 0.000 0.970 505 S CB -0.057 63.342 63.200 0.331 0.000 0.830 505 S HN 0.331 nan 8.310 nan 0.000 0.473 506 F N 1.713 121.757 119.950 0.157 0.000 2.416 506 F HA 0.145 4.672 4.527 0.000 0.000 0.296 506 F C 1.909 177.686 175.800 -0.038 0.000 1.099 506 F CA 0.487 58.437 58.000 -0.083 0.000 1.427 506 F CB -0.212 38.647 39.000 -0.234 0.000 1.079 506 F HN -0.009 nan 8.300 nan 0.000 0.536 507 V N 0.445 120.415 119.914 0.094 0.000 2.250 507 V HA -0.347 3.773 4.120 0.000 0.000 0.250 507 V C 2.300 178.351 176.094 -0.072 0.000 1.060 507 V CA 2.113 64.439 62.300 0.043 0.000 1.030 507 V CB -1.482 30.374 31.823 0.055 0.000 0.643 507 V HN 0.410 nan 8.190 nan 0.000 0.445 508 A N -1.819 120.953 122.820 -0.080 0.000 2.460 508 A HA 0.317 4.637 4.320 0.000 0.000 0.258 508 A C 1.014 178.507 177.584 -0.152 0.000 1.300 508 A CA 0.314 52.293 52.037 -0.096 0.000 0.913 508 A CB -0.092 18.881 19.000 -0.045 0.000 1.031 508 A HN 0.426 nan 8.150 nan 0.000 0.512 509 T N 0.000 114.387 114.554 -0.279 0.000 3.816 509 T HA 0.000 4.350 4.350 0.000 0.000 0.228 509 T CA 0.000 61.901 62.100 -0.332 0.000 1.349 509 T CB 0.000 68.639 68.868 -0.381 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658