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 2hld_1_U DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI 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 AQXXXDLDAS 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 0.000 175.501 175.510 -0.015 0.000 1.280 26 N CA 0.000 53.047 53.050 -0.004 0.000 0.885 26 N CB 0.000 38.481 38.487 -0.009 0.000 1.341 27 L N 1.653 122.863 121.223 -0.022 0.000 2.599 27 L HA 0.171 4.511 4.340 -0.000 0.000 0.230 27 L C 1.050 177.870 176.870 -0.083 0.000 1.141 27 L CA 0.182 54.988 54.840 -0.056 0.000 0.877 27 L CB -0.128 41.884 42.059 -0.077 0.000 1.009 27 L HN 0.417 nan 8.230 nan 0.000 0.447 28 N N -0.141 118.524 118.700 -0.058 0.000 2.290 28 N HA -0.083 4.657 4.740 -0.000 0.000 0.179 28 N C 1.608 177.085 175.510 -0.055 0.000 1.016 28 N CA 0.921 53.937 53.050 -0.058 0.000 0.871 28 N CB 0.230 38.692 38.487 -0.041 0.000 0.987 28 N HN 0.215 nan 8.380 nan 0.000 0.431 29 E N -0.461 119.711 120.200 -0.047 0.000 2.447 29 E HA 0.099 4.449 4.350 -0.000 0.000 0.204 29 E C 0.443 177.010 176.600 -0.054 0.000 0.977 29 E CA 0.374 56.748 56.400 -0.044 0.000 0.950 29 E CB 0.503 30.184 29.700 -0.031 0.000 0.975 29 E HN 0.386 nan 8.360 nan 0.000 0.496 30 T N -1.996 112.523 114.554 -0.057 0.000 2.907 30 T HA 0.785 5.135 4.350 -0.000 0.000 0.290 30 T C 0.252 174.911 174.700 -0.069 0.000 1.066 30 T CA -0.571 61.490 62.100 -0.065 0.000 1.012 30 T CB 2.581 71.422 68.868 -0.045 0.000 1.184 30 T HN 0.017 nan 8.240 nan 0.000 0.522 31 G N -0.007 108.749 108.800 -0.073 0.000 2.687 31 G HA2 0.673 4.633 3.960 -0.000 0.000 0.291 31 G HA3 0.673 4.633 3.960 -0.000 0.000 0.291 31 G C -1.692 173.205 174.900 -0.004 0.000 1.420 31 G CA -1.130 43.946 45.100 -0.040 0.000 0.796 31 G HN 0.797 nan 8.290 nan 0.000 0.485 32 R N -0.625 119.923 120.500 0.081 0.000 2.670 32 R HA 0.555 4.895 4.340 -0.000 0.000 0.289 32 R C -0.677 175.687 176.300 0.107 0.000 0.965 32 R CA -0.729 55.424 56.100 0.089 0.000 0.899 32 R CB 2.529 32.898 30.300 0.115 0.000 1.173 32 R HN 0.313 nan 8.270 nan 0.000 0.456 33 V N 5.216 125.189 119.914 0.098 0.000 2.479 33 V HA -0.007 4.113 4.120 -0.000 0.000 0.281 33 V C 1.379 177.528 176.094 0.093 0.000 1.031 33 V CA 0.401 62.775 62.300 0.124 0.000 1.038 33 V CB 0.800 32.726 31.823 0.171 0.000 0.981 33 V HN 0.741 nan 8.190 nan 0.000 0.478 34 L N 4.210 125.488 121.223 0.092 0.000 2.145 34 L HA 0.396 4.736 4.340 -0.000 0.000 0.201 34 L C 0.978 177.873 176.870 0.041 0.000 1.075 34 L CA 1.239 56.112 54.840 0.056 0.000 0.773 34 L CB -0.051 42.048 42.059 0.067 0.000 0.936 34 L HN 0.763 nan 8.230 nan 0.000 0.451 35 A N -0.903 121.947 122.820 0.051 0.000 2.574 35 A HA 0.675 4.995 4.320 -0.000 0.000 0.297 35 A C -1.669 175.937 177.584 0.037 0.000 1.062 35 A CA -0.376 51.682 52.037 0.034 0.000 0.686 35 A CB 2.077 21.090 19.000 0.021 0.000 1.285 35 A HN -0.191 nan 8.150 nan 0.000 0.403 36 V N 0.529 120.455 119.914 0.020 0.000 2.888 36 V HA 0.942 5.062 4.120 -0.000 0.000 0.309 36 V C -0.148 175.936 176.094 -0.016 0.000 1.114 36 V CA 0.816 63.117 62.300 0.003 0.000 0.940 36 V CB 2.062 33.885 31.823 0.001 0.000 1.021 36 V HN 2.362 nan 8.190 nan 0.000 0.426 37 G N 3.260 112.042 108.800 -0.031 0.000 2.429 37 G HA2 0.468 4.428 3.960 -0.000 0.000 0.300 37 G HA3 0.468 4.428 3.960 -0.000 0.000 0.300 37 G C -0.873 174.002 174.900 -0.041 0.000 1.598 37 G CA 0.049 45.129 45.100 -0.033 0.000 0.863 37 G HN 0.925 nan 8.290 nan 0.000 0.614 38 D N -0.478 119.898 120.400 -0.040 0.000 2.751 38 D HA -0.169 4.471 4.640 -0.000 0.000 0.233 38 D C 1.643 177.911 176.300 -0.054 0.000 1.149 38 D CA 2.801 56.777 54.000 -0.041 0.000 0.682 38 D CB -1.219 39.559 40.800 -0.036 0.000 1.068 38 D HN 2.329 nan 8.370 nan 0.000 0.429 39 G N -1.118 107.640 108.800 -0.070 0.000 2.155 39 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.257 39 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.257 39 G C 0.171 175.007 174.900 -0.107 0.000 0.983 39 G CA 0.389 45.432 45.100 -0.095 0.000 0.676 39 G HN 0.481 nan 8.290 nan 0.000 0.528 40 I N 0.794 121.316 120.570 -0.081 0.000 2.433 40 I HA 0.729 4.899 4.170 -0.000 0.000 0.292 40 I C 0.384 176.482 176.117 -0.032 0.000 1.001 40 I CA -1.149 60.115 61.300 -0.059 0.000 1.119 40 I CB 1.412 39.385 38.000 -0.044 0.000 1.289 40 I HN 0.367 nan 8.210 nan 0.000 0.438 41 A N 7.183 130.010 122.820 0.012 0.000 2.330 41 A HA 0.722 5.042 4.320 -0.000 0.000 0.313 41 A C -0.226 177.416 177.584 0.097 0.000 1.124 41 A CA -0.750 51.340 52.037 0.087 0.000 0.774 41 A CB 0.982 20.118 19.000 0.227 0.000 1.198 41 A HN 0.683 nan 8.150 nan 0.000 0.465 42 R N 1.487 122.036 120.500 0.081 0.000 2.207 42 R HA 0.506 4.846 4.340 -0.000 0.000 0.334 42 R C -1.108 175.250 176.300 0.097 0.000 1.013 42 R CA -0.250 55.894 56.100 0.073 0.000 0.858 42 R CB 1.396 31.729 30.300 0.056 0.000 1.094 42 R HN 0.462 nan 8.270 nan 0.000 0.457 43 V N 4.836 124.801 119.914 0.085 0.000 2.459 43 V HA 0.287 4.407 4.120 -0.000 0.000 0.295 43 V C -0.388 175.767 176.094 0.102 0.000 1.029 43 V CA -0.876 61.474 62.300 0.084 0.000 0.874 43 V CB 1.324 33.157 31.823 0.016 0.000 0.985 43 V HN 0.537 nan 8.190 nan 0.000 0.438 44 F N 4.286 124.231 119.950 -0.008 0.000 2.399 44 F HA 0.695 5.222 4.527 -0.000 0.000 0.342 44 F C 0.934 176.721 175.800 -0.021 0.000 1.106 44 F CA 1.510 59.503 58.000 -0.011 0.000 1.196 44 F CB 0.859 39.855 39.000 -0.006 0.000 1.163 44 F HN 0.920 nan 8.300 nan 0.000 0.547 45 G N 4.141 112.473 108.800 -0.781 0.000 2.481 45 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.230 45 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.230 45 G C 0.094 174.830 174.900 -0.273 0.000 1.210 45 G CA -0.437 44.354 45.100 -0.514 0.000 0.936 45 G HN 1.419 nan 8.290 nan 0.000 0.583 46 L N -0.348 120.770 121.223 -0.175 0.000 3.678 46 L HA -0.224 4.116 4.340 -0.000 0.000 0.425 46 L C 1.583 178.385 176.870 -0.114 0.000 1.240 46 L CA 0.555 55.322 54.840 -0.123 0.000 0.876 46 L CB -1.351 40.644 42.059 -0.106 0.000 1.766 46 L HN 0.638 nan 8.230 nan 0.000 0.917 47 N N 0.132 118.756 118.700 -0.125 0.000 2.272 47 N HA -0.113 4.627 4.740 -0.000 0.000 0.185 47 N C 1.246 176.714 175.510 -0.070 0.000 1.014 47 N CA 1.464 54.451 53.050 -0.105 0.000 0.870 47 N CB -0.152 38.271 38.487 -0.106 0.000 0.975 47 N HN 0.522 nan 8.380 nan 0.000 0.433 48 N N 0.364 119.028 118.700 -0.059 0.000 2.268 48 N HA 0.128 4.868 4.740 -0.000 0.000 0.204 48 N C 0.160 175.649 175.510 -0.035 0.000 1.124 48 N CA -0.127 52.898 53.050 -0.041 0.000 0.838 48 N CB 0.592 39.058 38.487 -0.035 0.000 0.994 48 N HN 0.312 nan 8.380 nan 0.000 0.489 49 I N 1.190 121.735 120.570 -0.041 0.000 2.634 49 I HA -0.059 4.111 4.170 -0.000 0.000 0.284 49 I C 0.200 176.306 176.117 -0.020 0.000 1.124 49 I CA -0.139 61.142 61.300 -0.031 0.000 1.417 49 I CB 0.672 38.649 38.000 -0.039 0.000 1.396 49 I HN 0.011 nan 8.210 nan 0.000 0.571 50 Q N 5.191 124.985 119.800 -0.009 0.000 2.227 50 Q HA 0.493 4.833 4.340 -0.000 0.000 0.245 50 Q C -0.253 175.749 176.000 0.004 0.000 0.926 50 Q CA -0.894 54.908 55.803 -0.001 0.000 0.895 50 Q CB 1.445 30.185 28.738 0.004 0.000 1.230 50 Q HN 0.769 nan 8.270 nan 0.000 0.450 51 A N 2.189 125.013 122.820 0.007 0.000 2.492 51 A HA 0.085 4.405 4.320 -0.000 0.000 0.254 51 A C 0.083 177.679 177.584 0.021 0.000 1.091 51 A CA 0.220 52.265 52.037 0.013 0.000 0.768 51 A CB -0.234 18.774 19.000 0.013 0.000 1.028 51 A HN 0.977 nan 8.150 nan 0.000 0.498 52 E N -0.255 119.963 120.200 0.030 0.000 3.547 52 E HA -0.180 4.170 4.350 -0.000 0.000 0.309 52 E C 0.131 176.769 176.600 0.063 0.000 0.855 52 E CA 1.104 57.534 56.400 0.049 0.000 1.122 52 E CB -1.396 28.329 29.700 0.041 0.000 1.569 52 E HN 0.934 nan 8.360 nan 0.000 0.429 53 E N 0.895 121.124 120.200 0.050 0.000 2.366 53 E HA 0.276 4.626 4.350 -0.000 0.000 0.266 53 E C -0.386 176.266 176.600 0.088 0.000 1.051 53 E CA -0.451 55.981 56.400 0.054 0.000 0.884 53 E CB 0.679 30.396 29.700 0.028 0.000 1.006 53 E HN 0.099 nan 8.360 nan 0.000 0.417 54 L N 5.303 126.588 121.223 0.103 0.000 2.367 54 L HA 0.203 4.543 4.340 -0.000 0.000 0.275 54 L C -0.708 176.224 176.870 0.102 0.000 1.129 54 L CA -0.083 54.847 54.840 0.150 0.000 0.839 54 L CB 1.099 43.240 42.059 0.137 0.000 1.133 54 L HN 0.368 nan 8.230 nan 0.000 0.453 55 V N 1.348 121.336 119.914 0.123 0.000 2.864 55 V HA 0.677 4.797 4.120 -0.000 0.000 0.314 55 V C -0.584 175.569 176.094 0.099 0.000 1.073 55 V CA -0.820 61.510 62.300 0.050 0.000 0.956 55 V CB 1.885 33.680 31.823 -0.046 0.000 1.023 55 V HN 0.793 nan 8.190 nan 0.000 0.435 56 E N 1.938 122.149 120.200 0.019 0.000 2.165 56 E HA 0.548 4.898 4.350 -0.000 0.000 0.266 56 E C -1.610 174.989 176.600 -0.002 0.000 0.889 56 E CA -0.418 56.031 56.400 0.081 0.000 0.756 56 E CB 1.930 31.669 29.700 0.065 0.000 1.131 56 E HN 0.647 nan 8.360 nan 0.000 0.411 57 F N 1.384 121.357 119.950 0.039 0.000 2.384 57 F HA 0.031 4.558 4.527 0.000 0.000 0.338 57 F C 1.932 177.749 175.800 0.028 0.000 1.103 57 F CA -0.057 57.962 58.000 0.030 0.000 1.157 57 F CB 1.391 40.408 39.000 0.028 0.000 1.167 57 F HN 0.494 nan 8.300 nan 0.000 0.529 58 S N 0.080 115.878 115.700 0.163 0.000 2.399 58 S HA -0.189 4.281 4.470 -0.000 0.000 0.231 58 S C 1.998 176.666 174.600 0.113 0.000 1.022 58 S CA 1.243 59.506 58.200 0.104 0.000 0.983 58 S CB -0.813 62.428 63.200 0.068 0.000 0.803 58 S HN 0.694 nan 8.310 nan 0.000 0.480 59 S N 0.272 116.060 115.700 0.147 0.000 2.481 59 S HA 0.394 4.864 4.470 -0.000 0.000 0.231 59 S C 1.609 176.259 174.600 0.083 0.000 0.996 59 S CA 0.938 59.197 58.200 0.098 0.000 0.942 59 S CB -0.507 62.743 63.200 0.083 0.000 0.768 59 S HN 1.319 nan 8.310 nan 0.000 0.520 60 G N 0.055 108.923 108.800 0.113 0.000 3.330 60 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.197 60 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.197 60 G C 0.033 174.999 174.900 0.110 0.000 1.284 60 G CA -0.216 44.938 45.100 0.091 0.000 0.921 60 G HN 0.779 nan 8.290 nan 0.000 0.466 61 V N 2.972 122.938 119.914 0.088 0.000 2.740 61 V HA 0.467 4.587 4.120 -0.000 0.000 0.303 61 V C 0.617 176.823 176.094 0.186 0.000 1.054 61 V CA 0.389 62.731 62.300 0.071 0.000 1.106 61 V CB 0.994 32.779 31.823 -0.062 0.000 0.957 61 V HN 0.401 nan 8.190 nan 0.000 0.486 62 K N 4.010 124.544 120.400 0.224 0.000 2.090 62 K HA 0.736 5.056 4.320 -0.000 0.000 0.249 62 K C 0.075 176.899 176.600 0.373 0.000 0.995 62 K CA 0.073 56.565 56.287 0.342 0.000 0.914 62 K CB 1.575 34.272 32.500 0.328 0.000 1.057 62 K HN 0.923 nan 8.250 nan 0.000 0.462 63 G N 0.406 109.447 108.800 0.400 0.000 2.684 63 G HA2 0.570 4.530 3.960 -0.000 0.000 0.290 63 G HA3 0.570 4.530 3.960 -0.000 0.000 0.290 63 G C -1.822 173.152 174.900 0.124 0.000 1.425 63 G CA -0.730 44.460 45.100 0.150 0.000 0.822 63 G HN 0.475 nan 8.290 nan 0.000 0.482 64 M N 1.203 120.738 119.600 -0.109 0.000 2.259 64 M HA 0.657 5.137 4.480 -0.000 0.000 0.304 64 M C -0.278 176.019 176.300 -0.006 0.000 1.019 64 M CA -0.831 54.478 55.300 0.015 0.000 0.922 64 M CB 1.887 34.487 32.600 -0.000 0.000 1.600 64 M HN 0.730 nan 8.290 nan 0.000 0.433 65 A N 5.765 128.603 122.820 0.031 0.000 2.376 65 A HA 0.441 4.761 4.320 -0.000 0.000 0.298 65 A C 0.074 177.662 177.584 0.007 0.000 1.271 65 A CA -0.338 51.707 52.037 0.012 0.000 0.926 65 A CB -0.192 18.814 19.000 0.009 0.000 1.141 65 A HN 1.081 nan 8.150 nan 0.000 0.539 66 L N 1.498 122.716 121.223 -0.009 0.000 2.609 66 L HA 0.187 4.527 4.340 -0.000 0.000 0.230 66 L C 0.008 176.877 176.870 -0.002 0.000 1.064 66 L CA 0.146 54.981 54.840 -0.008 0.000 0.873 66 L CB 0.181 42.220 42.059 -0.034 0.000 1.139 66 L HN 0.547 nan 8.230 nan 0.000 0.490 67 N N 0.949 119.646 118.700 -0.006 0.000 2.476 67 N HA 0.400 5.140 4.740 -0.000 0.000 0.257 67 N C -1.033 174.475 175.510 -0.003 0.000 0.970 67 N CA -0.065 52.983 53.050 -0.003 0.000 0.938 67 N CB 1.491 39.975 38.487 -0.005 0.000 1.144 67 N HN -0.008 nan 8.380 nan 0.000 0.500 68 L N 2.373 123.594 121.223 -0.003 0.000 2.287 68 L HA 0.402 4.742 4.340 -0.000 0.000 0.280 68 L C 0.313 177.178 176.870 -0.008 0.000 1.055 68 L CA -0.361 54.473 54.840 -0.009 0.000 0.863 68 L CB 0.476 42.529 42.059 -0.011 0.000 1.245 68 L HN 0.331 nan 8.230 nan 0.000 0.432 69 E N 3.192 123.387 120.200 -0.008 0.000 2.232 69 E HA 0.320 4.670 4.350 -0.000 0.000 0.264 69 E C -1.666 174.930 176.600 -0.008 0.000 0.973 69 E CA -1.823 54.575 56.400 -0.003 0.000 0.849 69 E CB 1.488 31.191 29.700 0.005 0.000 1.198 69 E HN 0.253 nan 8.360 nan 0.000 0.407 70 P HA -0.166 nan 4.420 nan 0.000 0.216 70 P C 1.012 178.310 177.300 -0.002 0.000 1.153 70 P CA 1.321 64.419 63.100 -0.003 0.000 0.858 70 P CB 0.146 31.851 31.700 0.007 0.000 0.789 71 G N -2.091 106.724 108.800 0.024 0.000 2.887 71 G HA2 0.098 4.058 3.960 -0.000 0.000 0.211 71 G HA3 0.098 4.058 3.960 -0.000 0.000 0.211 71 G C 0.321 175.263 174.900 0.070 0.000 1.152 71 G CA 0.078 45.219 45.100 0.068 0.000 0.769 71 G HN 0.468 nan 8.290 nan 0.000 0.541 72 Q N -1.572 118.243 119.800 0.025 0.000 2.687 72 Q HA 0.618 4.958 4.340 -0.000 0.000 0.295 72 Q C -2.123 173.877 176.000 -0.001 0.000 0.920 72 Q CA -0.959 54.863 55.803 0.032 0.000 0.766 72 Q CB 1.915 30.700 28.738 0.078 0.000 1.467 72 Q HN -0.098 nan 8.270 nan 0.000 0.415 73 V N 0.611 120.527 119.914 0.003 0.000 2.487 73 V HA 0.682 4.802 4.120 -0.000 0.000 0.298 73 V C 0.095 176.198 176.094 0.016 0.000 1.028 73 V CA -0.293 62.005 62.300 -0.003 0.000 0.860 73 V CB 1.677 33.486 31.823 -0.023 0.000 0.991 73 V HN 0.849 nan 8.190 nan 0.000 0.427 74 G N 5.283 114.089 108.800 0.009 0.000 2.356 74 G HA2 0.615 4.575 3.960 -0.000 0.000 0.300 74 G HA3 0.615 4.575 3.960 -0.000 0.000 0.300 74 G C -0.610 174.293 174.900 0.006 0.000 1.107 74 G CA -0.181 44.924 45.100 0.009 0.000 0.960 74 G HN 0.602 nan 8.290 nan 0.000 0.418 75 I N 2.619 123.205 120.570 0.026 0.000 2.433 75 I HA 0.275 4.445 4.170 -0.000 0.000 0.292 75 I C 0.164 176.266 176.117 -0.026 0.000 1.001 75 I CA -1.145 60.173 61.300 0.030 0.000 1.119 75 I CB 2.304 40.386 38.000 0.136 0.000 1.289 75 I HN 0.346 nan 8.210 nan 0.000 0.438 76 V N 5.588 125.434 119.914 -0.114 0.000 2.439 76 V HA 0.530 4.650 4.120 -0.000 0.000 0.282 76 V C -0.178 175.707 176.094 -0.348 0.000 1.039 76 V CA -0.699 61.475 62.300 -0.210 0.000 0.913 76 V CB 1.128 32.806 31.823 -0.242 0.000 0.983 76 V HN 0.502 nan 8.190 nan 0.000 0.460 77 L N 4.258 125.305 121.223 -0.293 0.000 2.350 77 L HA 0.434 4.774 4.340 -0.000 0.000 0.275 77 L C 0.111 176.792 176.870 -0.316 0.000 1.099 77 L CA -0.289 54.371 54.840 -0.299 0.000 0.808 77 L CB 0.748 42.659 42.059 -0.247 0.000 1.149 77 L HN 0.603 nan 8.230 nan 0.000 0.442 78 F N 1.394 121.355 119.950 0.017 0.000 2.798 78 F HA 0.415 4.942 4.527 -0.000 0.000 0.291 78 F C 1.028 176.837 175.800 0.014 0.000 1.174 78 F CA -0.289 57.732 58.000 0.035 0.000 1.392 78 F CB 0.003 39.037 39.000 0.058 0.000 0.966 78 F HN 0.553 nan 8.300 nan 0.000 0.509 79 G N -1.219 107.640 108.800 0.099 0.000 2.510 79 G HA2 0.307 4.267 3.960 -0.000 0.000 0.277 79 G HA3 0.307 4.267 3.960 -0.000 0.000 0.277 79 G C -1.151 173.745 174.900 -0.007 0.000 1.223 79 G CA -0.570 44.563 45.100 0.055 0.000 0.887 79 G HN -0.022 nan 8.290 nan 0.000 0.485 80 S N -0.548 115.142 115.700 -0.018 0.000 2.632 80 S HA 0.427 4.897 4.470 -0.000 0.000 0.267 80 S C 0.464 175.014 174.600 -0.083 0.000 1.276 80 S CA 0.606 58.784 58.200 -0.038 0.000 0.998 80 S CB 1.067 64.254 63.200 -0.021 0.000 0.953 80 S HN 0.714 nan 8.310 nan 0.000 0.547 81 D N 0.985 121.335 120.400 -0.083 0.000 2.479 81 D HA 0.135 4.775 4.640 -0.000 0.000 0.218 81 D C 1.233 177.487 176.300 -0.077 0.000 1.177 81 D CA -0.186 53.745 54.000 -0.114 0.000 0.830 81 D CB -0.175 40.554 40.800 -0.117 0.000 1.014 81 D HN 0.477 nan 8.370 nan 0.000 0.503 82 R N 0.297 120.767 120.500 -0.051 0.000 2.113 82 R HA -0.056 4.284 4.340 -0.000 0.000 0.244 82 R C 1.780 178.063 176.300 -0.029 0.000 1.142 82 R CA 1.305 57.386 56.100 -0.031 0.000 0.953 82 R CB -0.331 29.958 30.300 -0.019 0.000 0.860 82 R HN 0.240 nan 8.270 nan 0.000 0.438 83 L N 0.775 121.977 121.223 -0.034 0.000 2.529 83 L HA 0.108 4.448 4.340 -0.000 0.000 0.223 83 L C 0.156 177.019 176.870 -0.013 0.000 1.113 83 L CA -0.267 54.563 54.840 -0.016 0.000 0.861 83 L CB 0.485 42.541 42.059 -0.005 0.000 1.012 83 L HN -0.075 nan 8.230 nan 0.000 0.461 84 V N 0.841 120.726 119.914 -0.048 0.000 2.583 84 V HA 0.169 4.289 4.120 -0.000 0.000 0.287 84 V C 0.086 176.182 176.094 0.004 0.000 1.051 84 V CA -0.196 62.085 62.300 -0.032 0.000 1.010 84 V CB 1.080 32.807 31.823 -0.160 0.000 0.988 84 V HN 0.204 nan 8.190 nan 0.000 0.478 85 K N 2.164 122.592 120.400 0.046 0.000 2.482 85 K HA 0.419 4.739 4.320 -0.000 0.000 0.257 85 K C -0.566 176.070 176.600 0.059 0.000 0.969 85 K CA -0.916 55.395 56.287 0.040 0.000 0.842 85 K CB 2.447 34.967 32.500 0.034 0.000 1.359 85 K HN 0.750 nan 8.250 nan 0.000 0.441 86 E N 0.291 120.516 120.200 0.042 0.000 2.465 86 E HA 0.013 4.363 4.350 -0.000 0.000 0.260 86 E C 0.509 177.134 176.600 0.041 0.000 0.980 86 E CA 1.403 57.828 56.400 0.042 0.000 0.927 86 E CB 0.212 29.925 29.700 0.022 0.000 0.934 86 E HN 0.765 nan 8.360 nan 0.000 0.459 87 G N 3.847 112.675 108.800 0.047 0.000 2.258 87 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.233 87 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.233 87 G C 0.247 175.179 174.900 0.053 0.000 1.006 87 G CA 0.231 45.355 45.100 0.040 0.000 0.620 87 G HN 0.663 nan 8.290 nan 0.000 0.511 88 E N 0.701 120.946 120.200 0.075 0.000 2.502 88 E HA 0.317 4.667 4.350 -0.000 0.000 0.261 88 E C 0.650 177.288 176.600 0.064 0.000 0.974 88 E CA -0.416 56.039 56.400 0.090 0.000 0.936 88 E CB 0.303 30.096 29.700 0.155 0.000 0.926 88 E HN 0.492 nan 8.360 nan 0.000 0.459 89 L N 5.056 126.301 121.223 0.036 0.000 2.410 89 L HA 0.197 4.537 4.340 -0.000 0.000 0.273 89 L C -1.067 175.748 176.870 -0.092 0.000 1.152 89 L CA -0.381 54.451 54.840 -0.012 0.000 0.855 89 L CB 0.724 42.781 42.059 -0.003 0.000 1.129 89 L HN 0.326 nan 8.230 nan 0.000 0.463 90 V N 4.996 124.800 119.914 -0.184 0.000 2.680 90 V HA 0.495 4.615 4.120 -0.000 0.000 0.309 90 V C -0.351 175.606 176.094 -0.229 0.000 1.052 90 V CA -0.872 61.198 62.300 -0.383 0.000 0.908 90 V CB 1.738 33.180 31.823 -0.635 0.000 1.001 90 V HN 0.686 nan 8.190 nan 0.000 0.431 91 K N 2.953 123.228 120.400 -0.208 0.000 2.397 91 K HA 0.570 4.890 4.320 -0.000 0.000 0.253 91 K C -0.157 176.389 176.600 -0.090 0.000 0.932 91 K CA -0.806 55.415 56.287 -0.110 0.000 0.795 91 K CB 1.899 34.361 32.500 -0.063 0.000 1.159 91 K HN 0.660 nan 8.250 nan 0.000 0.424 92 R N 0.618 121.080 120.500 -0.064 0.000 2.893 92 R HA 0.071 4.411 4.340 -0.000 0.000 0.279 92 R C 0.385 176.675 176.300 -0.017 0.000 1.076 92 R CA 0.469 56.545 56.100 -0.039 0.000 1.203 92 R CB 0.454 30.733 30.300 -0.034 0.000 1.137 92 R HN 0.653 nan 8.270 nan 0.000 0.541 93 T N -1.144 113.410 114.554 -0.001 0.000 2.966 93 T HA 0.150 4.500 4.350 -0.000 0.000 0.254 93 T C 0.824 175.528 174.700 0.007 0.000 0.961 93 T CA 0.335 62.441 62.100 0.009 0.000 0.915 93 T CB 0.827 69.710 68.868 0.026 0.000 1.186 93 T HN 0.871 nan 8.240 nan 0.000 0.505 94 G N 2.580 111.382 108.800 0.004 0.000 2.198 94 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 94 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 94 G C -0.277 174.629 174.900 0.009 0.000 1.025 94 G CA 0.129 45.231 45.100 0.003 0.000 0.769 94 G HN 0.589 nan 8.290 nan 0.000 0.507 95 N N -0.299 118.411 118.700 0.017 0.000 2.296 95 N HA 0.561 5.301 4.740 -0.000 0.000 0.294 95 N C 0.090 175.618 175.510 0.030 0.000 1.033 95 N CA -1.195 51.867 53.050 0.020 0.000 0.839 95 N CB 1.399 39.897 38.487 0.019 0.000 1.395 95 N HN -0.002 nan 8.380 nan 0.000 0.479 96 I N 1.881 122.466 120.570 0.026 0.000 2.648 96 I HA 0.014 4.184 4.170 -0.000 0.000 0.284 96 I C 0.677 176.816 176.117 0.037 0.000 1.153 96 I CA -0.265 61.054 61.300 0.033 0.000 1.426 96 I CB 0.251 38.264 38.000 0.020 0.000 1.381 96 I HN 0.306 nan 8.210 nan 0.000 0.571 97 V N 6.999 126.949 119.914 0.059 0.000 2.583 97 V HA -0.094 4.026 4.120 -0.000 0.000 0.302 97 V C 0.367 176.472 176.094 0.019 0.000 1.033 97 V CA 0.351 62.684 62.300 0.054 0.000 1.194 97 V CB -0.563 31.326 31.823 0.110 0.000 0.879 97 V HN 0.909 nan 8.190 nan 0.000 0.482 98 D N 4.434 124.834 120.400 -0.001 0.000 2.585 98 D HA 0.765 5.405 4.640 -0.000 0.000 0.254 98 D C -0.550 175.736 176.300 -0.023 0.000 1.067 98 D CA -0.655 53.342 54.000 -0.005 0.000 1.090 98 D CB 2.150 42.950 40.800 0.001 0.000 1.408 98 D HN 0.478 nan 8.370 nan 0.000 0.554 99 V N -5.160 114.744 119.914 -0.016 0.000 3.049 99 V HA 0.670 4.790 4.120 -0.000 0.000 0.309 99 V C -2.927 173.152 176.094 -0.026 0.000 1.148 99 V CA -2.196 60.088 62.300 -0.026 0.000 0.990 99 V CB 1.835 33.645 31.823 -0.021 0.000 1.039 99 V HN 0.581 nan 8.190 nan 0.000 0.430 100 P HA 0.299 nan 4.420 nan 0.000 0.268 100 P C -0.421 176.833 177.300 -0.077 0.000 1.204 100 P CA 0.270 63.335 63.100 -0.058 0.000 0.768 100 P CB 1.266 32.927 31.700 -0.064 0.000 0.842 101 V N -0.331 119.515 119.914 -0.113 0.000 3.040 101 V HA 1.027 5.147 4.120 -0.000 0.000 0.312 101 V C -0.072 175.755 176.094 -0.444 0.000 1.115 101 V CA -0.400 61.790 62.300 -0.183 0.000 0.998 101 V CB 1.544 33.342 31.823 -0.043 0.000 1.042 101 V HN 0.983 nan 8.190 nan 0.000 0.433 102 G N 2.215 110.529 108.800 -0.811 0.000 2.339 102 G HA2 0.264 4.224 3.960 -0.000 0.000 0.381 102 G HA3 0.264 4.224 3.960 -0.000 0.000 0.381 102 G C -2.622 171.609 174.900 -1.115 0.000 1.400 102 G CA 0.016 44.262 45.100 -1.424 0.000 1.002 102 G HN 0.676 nan 8.290 nan 0.000 0.633 103 P HA 0.004 nan 4.420 nan 0.000 0.226 103 P C 1.886 179.015 177.300 -0.285 0.000 1.153 103 P CA 1.531 64.258 63.100 -0.621 0.000 0.777 103 P CB -0.111 31.289 31.700 -0.500 0.000 0.794 104 G N 0.496 109.110 108.800 -0.310 0.000 2.479 104 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 104 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 104 G C 1.327 176.158 174.900 -0.115 0.000 1.115 104 G CA 0.396 45.391 45.100 -0.174 0.000 0.757 104 G HN 0.227 nan 8.290 nan 0.000 0.560 105 L N 0.195 121.342 121.223 -0.126 0.000 2.478 105 L HA 0.267 4.607 4.340 -0.000 0.000 0.223 105 L C 1.271 178.146 176.870 0.009 0.000 1.140 105 L CA 0.059 54.867 54.840 -0.053 0.000 0.842 105 L CB -0.266 41.763 42.059 -0.050 0.000 0.953 105 L HN 0.107 nan 8.230 nan 0.000 0.452 106 L N 0.111 121.356 121.223 0.036 0.000 2.525 106 L HA 0.152 4.492 4.340 -0.000 0.000 0.278 106 L C 1.516 178.412 176.870 0.044 0.000 1.218 106 L CA 0.714 55.605 54.840 0.085 0.000 0.878 106 L CB -0.178 41.966 42.059 0.142 0.000 1.127 106 L HN 0.415 nan 8.230 nan 0.000 0.492 107 G N 1.778 110.596 108.800 0.031 0.000 2.184 107 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.264 107 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.264 107 G C 0.287 175.183 174.900 -0.007 0.000 0.975 107 G CA -0.265 44.833 45.100 -0.003 0.000 0.642 107 G HN 0.478 nan 8.290 nan 0.000 0.536 108 R N -0.550 119.951 120.500 0.002 0.000 2.787 108 R HA 0.716 5.056 4.340 -0.000 0.000 0.271 108 R C -0.346 175.958 176.300 0.006 0.000 0.993 108 R CA -0.792 55.308 56.100 -0.001 0.000 0.993 108 R CB 1.787 32.083 30.300 -0.006 0.000 1.155 108 R HN 0.216 nan 8.270 nan 0.000 0.486 109 V N 2.461 122.378 119.914 0.005 0.000 2.409 109 V HA 0.421 4.541 4.120 -0.000 0.000 0.291 109 V C 0.124 176.225 176.094 0.011 0.000 1.020 109 V CA -0.756 61.553 62.300 0.014 0.000 0.848 109 V CB 1.514 33.345 31.823 0.013 0.000 0.990 109 V HN 0.603 nan 8.190 nan 0.000 0.430 110 V N 1.201 121.124 119.914 0.015 0.000 3.074 110 V HA 0.821 4.941 4.120 -0.000 0.000 0.314 110 V C -0.365 175.735 176.094 0.010 0.000 1.117 110 V CA -0.855 61.449 62.300 0.006 0.000 1.014 110 V CB 2.133 33.955 31.823 -0.002 0.000 1.057 110 V HN 0.770 nan 8.190 nan 0.000 0.438 111 D N 1.775 122.176 120.400 0.002 0.000 2.478 111 D HA 0.465 5.105 4.640 -0.000 0.000 0.274 111 D C 1.284 177.580 176.300 -0.007 0.000 1.234 111 D CA 0.085 54.087 54.000 0.005 0.000 1.069 111 D CB 0.911 41.713 40.800 0.004 0.000 1.113 111 D HN 0.832 nan 8.370 nan 0.000 0.571 112 A N -0.810 122.006 122.820 -0.008 0.000 2.019 112 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 112 A C 2.190 179.729 177.584 -0.075 0.000 1.164 112 A CA 1.054 53.078 52.037 -0.021 0.000 0.644 112 A CB -0.806 18.198 19.000 0.006 0.000 0.805 112 A HN 0.505 nan 8.150 nan 0.000 0.449 113 L N -1.635 119.522 121.223 -0.109 0.000 2.628 113 L HA 0.295 4.635 4.340 -0.000 0.000 0.229 113 L C 1.574 178.394 176.870 -0.082 0.000 1.137 113 L CA 0.478 55.231 54.840 -0.144 0.000 0.909 113 L CB 0.144 42.075 42.059 -0.214 0.000 1.137 113 L HN 0.530 nan 8.230 nan 0.000 0.470 114 G N -0.402 108.367 108.800 -0.052 0.000 2.176 114 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.253 114 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.253 114 G C 0.143 175.023 174.900 -0.033 0.000 0.979 114 G CA -0.301 44.776 45.100 -0.038 0.000 0.641 114 G HN 0.373 nan 8.290 nan 0.000 0.530 115 N N 2.471 121.152 118.700 -0.032 0.000 2.468 115 N HA 0.328 5.068 4.740 -0.000 0.000 0.265 115 N C -2.418 173.084 175.510 -0.013 0.000 1.199 115 N CA -0.645 52.392 53.050 -0.022 0.000 0.928 115 N CB 1.109 39.585 38.487 -0.018 0.000 1.059 115 N HN 0.252 nan 8.380 nan 0.000 0.467 116 P HA 0.093 nan 4.420 nan 0.000 0.271 116 P C 0.591 177.889 177.300 -0.002 0.000 1.226 116 P CA -0.052 63.043 63.100 -0.008 0.000 0.765 116 P CB 0.408 32.102 31.700 -0.011 0.000 0.835 117 I N 0.446 121.017 120.570 0.002 0.000 4.082 117 I HA 0.150 4.320 4.170 -0.000 0.000 0.337 117 I C 0.752 176.872 176.117 0.005 0.000 1.352 117 I CA -0.037 61.267 61.300 0.006 0.000 1.097 117 I CB -0.140 37.867 38.000 0.012 0.000 1.048 117 I HN 0.037 nan 8.210 nan 0.000 0.393 118 D N 1.554 121.955 120.400 0.002 0.000 2.349 118 D HA 0.091 4.731 4.640 -0.000 0.000 0.215 118 D C 1.686 177.985 176.300 -0.003 0.000 1.016 118 D CA 0.682 54.681 54.000 -0.001 0.000 0.870 118 D CB -0.182 40.616 40.800 -0.003 0.000 0.917 118 D HN 0.438 nan 8.370 nan 0.000 0.524 119 G N 0.782 109.581 108.800 -0.002 0.000 2.176 119 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.252 119 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.252 119 G C 0.553 175.450 174.900 -0.005 0.000 1.024 119 G CA 0.358 45.456 45.100 -0.003 0.000 0.755 119 G HN 0.467 nan 8.290 nan 0.000 0.507 120 K N 0.044 120.440 120.400 -0.007 0.000 2.440 120 K HA 0.477 4.797 4.320 -0.000 0.000 0.206 120 K C 1.326 177.920 176.600 -0.010 0.000 1.025 120 K CA 0.220 56.502 56.287 -0.009 0.000 1.135 120 K CB 0.683 33.177 32.500 -0.010 0.000 0.856 120 K HN 1.451 nan 8.250 nan 0.000 0.502 121 G N 2.362 111.157 108.800 -0.009 0.000 2.660 121 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.247 121 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.247 121 G C -2.810 172.082 174.900 -0.014 0.000 1.328 121 G CA -1.284 43.810 45.100 -0.011 0.000 0.884 121 G HN 0.005 nan 8.290 nan 0.000 0.531 122 P HA 0.434 nan 4.420 nan 0.000 0.269 122 P C 0.269 177.553 177.300 -0.027 0.000 1.209 122 P CA -0.434 62.654 63.100 -0.020 0.000 0.776 122 P CB 0.407 32.096 31.700 -0.019 0.000 0.876 123 I N 2.301 122.851 120.570 -0.033 0.000 2.395 123 I HA 0.121 4.291 4.170 -0.000 0.000 0.289 123 I C 0.358 176.441 176.117 -0.056 0.000 1.023 123 I CA -0.078 61.194 61.300 -0.046 0.000 1.350 123 I CB 0.397 38.367 38.000 -0.051 0.000 1.409 123 I HN 0.243 nan 8.210 nan 0.000 0.507 124 D N 5.199 125.558 120.400 -0.068 0.000 2.295 124 D HA 0.472 5.112 4.640 -0.000 0.000 0.248 124 D C 0.024 176.253 176.300 -0.118 0.000 1.154 124 D CA 0.104 54.056 54.000 -0.080 0.000 0.857 124 D CB 1.359 42.112 40.800 -0.077 0.000 1.117 124 D HN 0.623 nan 8.370 nan 0.000 0.468 125 A N 1.771 124.525 122.820 -0.111 0.000 2.330 125 A HA 0.639 4.959 4.320 -0.000 0.000 0.327 125 A C 0.879 178.379 177.584 -0.140 0.000 1.155 125 A CA -0.449 51.503 52.037 -0.142 0.000 0.803 125 A CB 1.514 20.453 19.000 -0.102 0.000 1.208 125 A HN 0.536 nan 8.150 nan 0.000 0.477 126 A N 1.738 124.436 122.820 -0.203 0.000 2.016 126 A HA 0.504 4.824 4.320 -0.000 0.000 0.217 126 A C 1.181 178.741 177.584 -0.040 0.000 1.162 126 A CA 1.673 53.633 52.037 -0.129 0.000 0.662 126 A CB -0.281 18.610 19.000 -0.182 0.000 0.812 126 A HN 2.128 nan 8.150 nan 0.000 0.450 127 G N -1.557 107.214 108.800 -0.049 0.000 2.427 127 G HA2 0.523 4.483 3.960 -0.000 0.000 0.306 127 G HA3 0.523 4.483 3.960 -0.000 0.000 0.306 127 G C -1.482 173.408 174.900 -0.016 0.000 1.280 127 G CA -0.995 44.101 45.100 -0.007 0.000 0.837 127 G HN 0.215 nan 8.290 nan 0.000 0.482 128 R N -0.186 120.316 120.500 0.002 0.000 2.561 128 R HA 0.701 5.041 4.340 -0.000 0.000 0.297 128 R C -1.040 175.270 176.300 0.016 0.000 0.969 128 R CA -0.610 55.489 56.100 -0.000 0.000 0.879 128 R CB 2.221 32.517 30.300 -0.007 0.000 1.178 128 R HN 0.406 nan 8.270 nan 0.000 0.445 129 S N 1.748 117.459 115.700 0.019 0.000 2.501 129 S HA 0.426 4.896 4.470 -0.000 0.000 0.301 129 S C -0.131 174.481 174.600 0.019 0.000 1.096 129 S CA -0.848 57.368 58.200 0.028 0.000 1.063 129 S CB 1.601 64.829 63.200 0.046 0.000 1.042 129 S HN 0.381 nan 8.310 nan 0.000 0.494 130 R N 0.829 121.340 120.500 0.017 0.000 2.734 130 R HA 0.184 4.524 4.340 -0.000 0.000 0.266 130 R C 1.365 177.676 176.300 0.017 0.000 1.044 130 R CA 0.141 56.248 56.100 0.012 0.000 1.128 130 R CB 0.173 30.477 30.300 0.006 0.000 1.010 130 R HN 0.784 nan 8.270 nan 0.000 0.461 131 A N 2.500 125.327 122.820 0.012 0.000 1.873 131 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 131 A C 0.539 178.124 177.584 0.001 0.000 1.186 131 A CA 1.123 53.175 52.037 0.026 0.000 0.616 131 A CB 0.085 19.098 19.000 0.021 0.000 0.823 131 A HN 0.522 nan 8.150 nan 0.000 0.442 132 Q N 0.317 120.071 119.800 -0.076 0.000 2.322 132 Q HA 0.506 4.846 4.340 -0.000 0.000 0.256 132 Q C -1.322 174.650 176.000 -0.047 0.000 0.960 132 Q CA 0.056 55.780 55.803 -0.132 0.000 0.934 132 Q CB 1.368 29.982 28.738 -0.206 0.000 1.200 132 Q HN 0.171 nan 8.270 nan 0.000 0.435 133 V N 3.089 122.994 119.914 -0.015 0.000 2.638 133 V HA 0.289 4.409 4.120 -0.000 0.000 0.306 133 V C 0.043 176.143 176.094 0.009 0.000 1.052 133 V CA -1.053 61.251 62.300 0.006 0.000 0.885 133 V CB 2.188 34.026 31.823 0.025 0.000 0.999 133 V HN 0.618 nan 8.190 nan 0.000 0.424 134 K N 2.803 123.209 120.400 0.010 0.000 2.489 134 K HA 0.362 4.682 4.320 -0.000 0.000 0.278 134 K C 0.564 177.177 176.600 0.022 0.000 1.000 134 K CA 0.174 56.472 56.287 0.020 0.000 1.012 134 K CB 0.617 33.131 32.500 0.023 0.000 0.903 134 K HN 0.888 nan 8.250 nan 0.000 0.485 135 A N 5.070 127.907 122.820 0.027 0.000 2.448 135 A HA 0.197 4.517 4.320 -0.000 0.000 0.239 135 A C -2.063 175.536 177.584 0.024 0.000 1.080 135 A CA -1.116 50.936 52.037 0.026 0.000 0.779 135 A CB -0.413 18.604 19.000 0.028 0.000 1.026 135 A HN 0.462 nan 8.150 nan 0.000 0.499 136 P HA 0.237 nan 4.420 nan 0.000 0.267 136 P C 0.698 178.011 177.300 0.021 0.000 1.205 136 P CA 0.533 63.643 63.100 0.017 0.000 0.765 136 P CB 0.549 32.257 31.700 0.014 0.000 0.828 137 G N 1.831 110.642 108.800 0.019 0.000 2.479 137 G HA2 0.053 4.013 3.960 -0.000 0.000 0.275 137 G HA3 0.053 4.013 3.960 -0.000 0.000 0.275 137 G C 0.986 175.898 174.900 0.020 0.000 1.421 137 G CA -0.382 44.730 45.100 0.021 0.000 1.059 137 G HN 0.347 nan 8.290 nan 0.000 0.535 138 I N -0.923 119.658 120.570 0.019 0.000 2.252 138 I HA -0.040 4.130 4.170 -0.000 0.000 0.245 138 I C 2.574 178.699 176.117 0.013 0.000 1.102 138 I CA 0.590 61.900 61.300 0.018 0.000 1.385 138 I CB -0.342 37.669 38.000 0.017 0.000 1.064 138 I HN 0.274 nan 8.210 nan 0.000 0.414 139 L N 1.462 122.691 121.223 0.010 0.000 2.027 139 L HA -0.021 4.319 4.340 -0.000 0.000 0.206 139 L C -0.799 176.074 176.870 0.005 0.000 1.074 139 L CA 1.775 56.619 54.840 0.007 0.000 0.745 139 L CB -1.524 40.537 42.059 0.004 0.000 0.898 139 L HN 0.182 nan 8.230 nan 0.000 0.433 140 P HA 0.062 nan 4.420 nan 0.000 0.254 140 P C -0.582 176.722 177.300 0.007 0.000 1.631 140 P CA 0.291 63.393 63.100 0.003 0.000 0.861 140 P CB -0.109 31.591 31.700 -0.001 0.000 1.663 141 R N -0.151 120.356 120.500 0.011 0.000 2.867 141 R HA 0.686 5.026 4.340 -0.000 0.000 0.268 141 R C -0.115 176.197 176.300 0.019 0.000 1.014 141 R CA -0.872 55.239 56.100 0.019 0.000 0.946 141 R CB 2.560 32.873 30.300 0.022 0.000 1.208 141 R HN -0.017 nan 8.270 nan 0.000 0.477 142 R N 0.067 120.586 120.500 0.031 0.000 2.771 142 R HA 0.378 4.718 4.340 -0.000 0.000 0.274 142 R C -1.037 175.292 176.300 0.048 0.000 0.987 142 R CA -0.550 55.567 56.100 0.029 0.000 0.908 142 R CB 2.160 32.479 30.300 0.033 0.000 1.213 142 R HN 0.648 nan 8.270 nan 0.000 0.468 143 S N 1.336 117.056 115.700 0.034 0.000 2.552 143 S HA 0.034 4.504 4.470 -0.000 0.000 0.289 143 S C 0.033 174.701 174.600 0.114 0.000 1.304 143 S CA -0.413 57.817 58.200 0.050 0.000 1.063 143 S CB 0.776 63.990 63.200 0.024 0.000 0.848 143 S HN 0.348 nan 8.310 nan 0.000 0.499 144 V N 5.624 125.593 119.914 0.091 0.000 2.557 144 V HA 0.025 4.145 4.120 -0.000 0.000 0.301 144 V C 1.319 177.490 176.094 0.128 0.000 1.026 144 V CA 0.643 62.995 62.300 0.087 0.000 1.137 144 V CB -0.224 31.616 31.823 0.027 0.000 0.917 144 V HN 1.071 nan 8.190 nan 0.000 0.484 145 H N 2.241 121.291 119.070 -0.033 0.000 3.480 145 H HA 0.387 4.943 4.556 0.000 0.000 0.257 145 H C -0.128 175.161 175.328 -0.066 0.000 1.196 145 H CA -0.476 55.548 56.048 -0.040 0.000 1.100 145 H CB 0.556 30.301 29.762 -0.028 0.000 1.683 145 H HN 0.629 nan 8.280 nan 0.000 0.702 146 E N 2.786 122.727 120.200 -0.433 0.000 2.191 146 E HA 0.361 4.711 4.350 -0.000 0.000 0.263 146 E C -2.898 173.519 176.600 -0.305 0.000 0.881 146 E CA -2.189 53.946 56.400 -0.441 0.000 0.757 146 E CB 2.534 31.886 29.700 -0.579 0.000 1.147 146 E HN 0.132 nan 8.360 nan 0.000 0.414 147 P HA -0.052 nan 4.420 nan 0.000 0.265 147 P C -0.708 176.422 177.300 -0.283 0.000 1.193 147 P CA -0.059 62.908 63.100 -0.222 0.000 0.765 147 P CB 0.535 32.117 31.700 -0.195 0.000 0.823 148 V N 5.111 124.899 119.914 -0.211 0.000 2.288 148 V HA 0.116 4.236 4.120 -0.000 0.000 0.266 148 V C 0.481 176.487 176.094 -0.148 0.000 1.048 148 V CA -0.135 62.040 62.300 -0.208 0.000 0.842 148 V CB 0.071 31.809 31.823 -0.143 0.000 1.064 148 V HN 0.482 nan 8.190 nan 0.000 0.472 149 Q N 2.345 122.039 119.800 -0.177 0.000 2.307 149 Q HA 0.134 4.474 4.340 -0.000 0.000 0.261 149 Q C 1.375 177.399 176.000 0.041 0.000 1.051 149 Q CA 0.154 55.936 55.803 -0.035 0.000 0.911 149 Q CB 1.068 29.841 28.738 0.059 0.000 1.227 149 Q HN 0.918 nan 8.270 nan 0.000 0.418 150 T N -1.069 113.502 114.554 0.028 0.000 3.014 150 T HA 0.098 4.448 4.350 -0.000 0.000 0.263 150 T C 1.415 176.146 174.700 0.052 0.000 1.078 150 T CA 0.558 62.678 62.100 0.033 0.000 1.135 150 T CB 0.086 68.961 68.868 0.011 0.000 0.895 150 T HN 0.853 nan 8.240 nan 0.000 0.480 151 G N 1.254 110.091 108.800 0.062 0.000 2.179 151 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.260 151 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.260 151 G C -0.051 174.869 174.900 0.033 0.000 0.977 151 G CA 0.177 45.310 45.100 0.055 0.000 0.641 151 G HN 0.643 nan 8.290 nan 0.000 0.533 152 L N 0.703 121.941 121.223 0.025 0.000 2.278 152 L HA 0.374 4.714 4.340 -0.000 0.000 0.287 152 L C 1.789 178.675 176.870 0.026 0.000 1.072 152 L CA -0.656 54.194 54.840 0.018 0.000 0.819 152 L CB 1.040 43.104 42.059 0.008 0.000 1.176 152 L HN 0.069 nan 8.230 nan 0.000 0.435 153 K N 2.515 122.932 120.400 0.030 0.000 2.059 153 K HA -0.262 4.058 4.320 -0.000 0.000 0.212 153 K C 1.990 178.612 176.600 0.037 0.000 1.050 153 K CA 1.881 58.191 56.287 0.038 0.000 0.927 153 K CB -0.161 32.365 32.500 0.044 0.000 0.714 153 K HN 0.816 nan 8.250 nan 0.000 0.447 154 A N 0.823 123.662 122.820 0.032 0.000 1.898 154 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 154 A C 2.398 180.002 177.584 0.032 0.000 1.181 154 A CA 1.326 53.383 52.037 0.033 0.000 0.620 154 A CB -0.529 18.490 19.000 0.031 0.000 0.819 154 A HN 0.073 nan 8.150 nan 0.000 0.442 155 V N 0.597 120.526 119.914 0.025 0.000 2.244 155 V HA -0.220 3.900 4.120 -0.000 0.000 0.244 155 V C 2.183 178.289 176.094 0.019 0.000 1.042 155 V CA 2.264 64.575 62.300 0.019 0.000 1.006 155 V CB -0.899 30.929 31.823 0.010 0.000 0.641 155 V HN 0.463 nan 8.190 nan 0.000 0.446 156 D N 0.346 120.758 120.400 0.020 0.000 2.190 156 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 156 D C 1.998 178.313 176.300 0.025 0.000 0.992 156 D CA 1.731 55.743 54.000 0.019 0.000 0.854 156 D CB -0.173 40.644 40.800 0.027 0.000 0.936 156 D HN 0.478 nan 8.370 nan 0.000 0.462 157 A N -0.751 122.089 122.820 0.034 0.000 1.997 157 A HA 0.151 4.471 4.320 -0.000 0.000 0.212 157 A C 2.113 179.722 177.584 0.041 0.000 1.178 157 A CA 0.322 52.384 52.037 0.041 0.000 0.698 157 A CB 0.010 19.040 19.000 0.050 0.000 0.842 157 A HN 0.186 nan 8.150 nan 0.000 0.458 158 L N -0.904 120.343 121.223 0.040 0.000 2.467 158 L HA 0.162 4.502 4.340 -0.000 0.000 0.213 158 L C 0.304 177.198 176.870 0.039 0.000 1.053 158 L CA 0.390 55.257 54.840 0.044 0.000 0.847 158 L CB 0.637 42.726 42.059 0.050 0.000 1.075 158 L HN 0.194 nan 8.230 nan 0.000 0.479 159 V N -2.478 117.454 119.914 0.031 0.000 2.405 159 V HA 0.445 4.565 4.120 -0.000 0.000 0.253 159 V C -2.828 173.271 176.094 0.010 0.000 0.963 159 V CA -1.887 60.427 62.300 0.023 0.000 1.003 159 V CB -0.133 31.705 31.823 0.025 0.000 1.251 159 V HN -0.094 nan 8.190 nan 0.000 0.520 160 P HA 0.412 nan 4.420 nan 0.000 0.271 160 P C -0.212 177.077 177.300 -0.018 0.000 1.216 160 P CA 0.322 63.419 63.100 -0.006 0.000 0.771 160 P CB 1.024 32.721 31.700 -0.006 0.000 0.864 161 I N 1.704 122.255 120.570 -0.032 0.000 2.498 161 I HA 0.613 4.783 4.170 -0.000 0.000 0.301 161 I C 1.089 177.167 176.117 -0.065 0.000 0.984 161 I CA -0.255 61.020 61.300 -0.042 0.000 1.204 161 I CB 1.780 39.755 38.000 -0.043 0.000 1.362 161 I HN 0.347 nan 8.210 nan 0.000 0.471 162 G N 3.493 112.254 108.800 -0.064 0.000 2.600 162 G HA2 0.575 4.535 3.960 -0.000 0.000 0.303 162 G HA3 0.575 4.535 3.960 -0.000 0.000 0.303 162 G C -0.928 173.915 174.900 -0.095 0.000 1.253 162 G CA -0.909 44.136 45.100 -0.091 0.000 0.974 162 G HN 0.488 nan 8.290 nan 0.000 0.483 163 R N -0.031 120.386 120.500 -0.138 0.000 2.291 163 R HA 0.443 4.783 4.340 -0.000 0.000 0.333 163 R C 1.115 177.395 176.300 -0.034 0.000 1.082 163 R CA 1.249 57.279 56.100 -0.116 0.000 0.948 163 R CB 0.653 30.811 30.300 -0.237 0.000 1.009 163 R HN 1.109 nan 8.270 nan 0.000 0.460 164 G N 1.767 110.568 108.800 0.001 0.000 2.231 164 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.206 164 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.206 164 G C 0.134 175.043 174.900 0.014 0.000 0.996 164 G CA -0.325 44.789 45.100 0.024 0.000 0.645 164 G HN 0.552 nan 8.290 nan 0.000 0.498 165 Q N 0.377 120.176 119.800 -0.003 0.000 2.317 165 Q HA 0.672 5.012 4.340 -0.000 0.000 0.229 165 Q C -0.056 175.942 176.000 -0.003 0.000 0.984 165 Q CA -0.475 55.326 55.803 -0.004 0.000 0.911 165 Q CB 0.496 29.225 28.738 -0.015 0.000 1.217 165 Q HN 0.428 nan 8.270 nan 0.000 0.501 166 R N 1.733 122.231 120.500 -0.004 0.000 2.437 166 R HA 0.340 4.680 4.340 -0.000 0.000 0.310 166 R C -1.394 174.893 176.300 -0.023 0.000 0.955 166 R CA -0.569 55.526 56.100 -0.008 0.000 0.851 166 R CB 1.725 32.020 30.300 -0.008 0.000 1.161 166 R HN 0.483 nan 8.270 nan 0.000 0.446 167 E N 2.850 123.032 120.200 -0.031 0.000 2.244 167 E HA 0.230 4.580 4.350 -0.000 0.000 0.260 167 E C -1.690 174.869 176.600 -0.068 0.000 0.884 167 E CA -0.853 55.517 56.400 -0.049 0.000 0.777 167 E CB 1.192 30.867 29.700 -0.042 0.000 1.197 167 E HN 0.363 nan 8.360 nan 0.000 0.416 168 L N 5.655 126.817 121.223 -0.102 0.000 2.331 168 L HA 0.501 4.841 4.340 -0.000 0.000 0.278 168 L C -1.040 175.734 176.870 -0.160 0.000 1.106 168 L CA 0.092 54.852 54.840 -0.134 0.000 0.824 168 L CB 0.498 42.457 42.059 -0.168 0.000 1.142 168 L HN 0.639 nan 8.230 nan 0.000 0.443 169 I N 6.877 127.371 120.570 -0.126 0.000 2.321 169 I HA 0.435 4.605 4.170 -0.000 0.000 0.291 169 I C -0.263 175.778 176.117 -0.127 0.000 0.998 169 I CA -0.168 61.061 61.300 -0.118 0.000 1.227 169 I CB 1.272 39.234 38.000 -0.064 0.000 1.368 169 I HN 0.581 nan 8.210 nan 0.000 0.466 170 I N 4.943 125.422 120.570 -0.152 0.000 2.752 170 I HA 0.847 5.017 4.170 -0.000 0.000 0.295 170 I C -0.510 175.606 176.117 -0.002 0.000 1.219 170 I CA 0.003 61.237 61.300 -0.109 0.000 1.030 170 I CB 2.108 39.984 38.000 -0.207 0.000 1.259 170 I HN 0.733 nan 8.210 nan 0.000 0.423 171 G N 4.928 113.751 108.800 0.038 0.000 2.313 171 G HA2 0.179 4.139 3.960 -0.000 0.000 0.296 171 G HA3 0.179 4.139 3.960 -0.000 0.000 0.296 171 G C -1.916 173.009 174.900 0.042 0.000 1.356 171 G CA -0.775 44.369 45.100 0.074 0.000 0.833 171 G HN 0.498 nan 8.290 nan 0.000 0.552 172 D N 0.274 120.697 120.400 0.038 0.000 2.352 172 D HA 0.309 4.949 4.640 -0.000 0.000 0.238 172 D C 1.329 177.629 176.300 -0.002 0.000 1.286 172 D CA -0.015 53.999 54.000 0.024 0.000 0.923 172 D CB 0.382 41.197 40.800 0.025 0.000 1.146 172 D HN 0.701 nan 8.370 nan 0.000 0.471 173 R N 0.472 120.972 120.500 0.001 0.000 2.697 173 R HA -0.057 4.283 4.340 -0.000 0.000 0.265 173 R C -0.141 176.126 176.300 -0.054 0.000 1.009 173 R CA -0.099 55.992 56.100 -0.014 0.000 1.099 173 R CB 0.044 30.345 30.300 0.001 0.000 0.965 173 R HN 0.208 nan 8.270 nan 0.000 0.428 174 Q N 0.144 119.899 119.800 -0.076 0.000 2.453 174 Q HA -0.155 4.185 4.340 -0.000 0.000 0.294 174 Q C 0.227 176.060 176.000 -0.279 0.000 1.295 174 Q CA 1.744 57.458 55.803 -0.147 0.000 0.853 174 Q CB -1.636 27.030 28.738 -0.120 0.000 1.193 174 Q HN 1.011 nan 8.270 nan 0.000 0.461 175 T N -5.579 108.844 114.554 -0.218 0.000 3.023 175 T HA 0.451 4.801 4.350 -0.000 0.000 0.253 175 T C 1.141 175.732 174.700 -0.181 0.000 1.038 175 T CA 0.792 62.739 62.100 -0.255 0.000 0.962 175 T CB 1.111 69.917 68.868 -0.104 0.000 1.018 175 T HN 0.813 nan 8.240 nan 0.000 0.521 176 G N 1.569 110.289 108.800 -0.134 0.000 2.148 176 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.157 176 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.157 176 G C 0.674 175.560 174.900 -0.024 0.000 1.012 176 G CA 0.115 45.186 45.100 -0.047 0.000 0.677 176 G HN 0.465 nan 8.290 nan 0.000 0.506 177 K N -0.198 120.185 120.400 -0.029 0.000 1.984 177 K HA -0.030 4.290 4.320 -0.000 0.000 0.209 177 K C 2.527 179.128 176.600 0.001 0.000 1.046 177 K CA 1.831 58.110 56.287 -0.013 0.000 0.934 177 K CB -0.356 32.135 32.500 -0.013 0.000 0.717 177 K HN 0.252 nan 8.250 nan 0.000 0.438 178 T N 1.412 115.974 114.554 0.013 0.000 2.788 178 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 178 T C 1.996 176.699 174.700 0.005 0.000 1.044 178 T CA 1.293 63.421 62.100 0.046 0.000 1.139 178 T CB -0.303 68.603 68.868 0.064 0.000 0.867 178 T HN 0.340 nan 8.240 nan 0.000 0.454 179 A N 0.858 123.658 122.820 -0.034 0.000 2.032 179 A HA -0.074 4.246 4.320 -0.000 0.000 0.221 179 A C 2.489 180.031 177.584 -0.070 0.000 1.165 179 A CA 1.310 53.295 52.037 -0.086 0.000 0.645 179 A CB -0.832 18.108 19.000 -0.100 0.000 0.807 179 A HN 0.409 nan 8.150 nan 0.000 0.453 180 V N -0.951 118.944 119.914 -0.032 0.000 2.649 180 V HA -0.078 4.042 4.120 -0.000 0.000 0.248 180 V C 2.880 178.968 176.094 -0.010 0.000 1.054 180 V CA 1.522 63.809 62.300 -0.022 0.000 1.073 180 V CB -0.742 31.073 31.823 -0.013 0.000 0.699 180 V HN 0.600 nan 8.190 nan 0.000 0.463 181 A N -0.186 122.639 122.820 0.008 0.000 1.898 181 A HA -0.080 4.240 4.320 -0.000 0.000 0.214 181 A C 2.088 179.688 177.584 0.027 0.000 1.183 181 A CA 1.424 53.482 52.037 0.035 0.000 0.622 181 A CB -0.473 18.582 19.000 0.092 0.000 0.824 181 A HN 0.394 nan 8.150 nan 0.000 0.444 182 L N 0.276 121.498 121.223 -0.002 0.000 2.017 182 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 182 L C 1.591 178.444 176.870 -0.028 0.000 1.073 182 L CA 2.325 57.145 54.840 -0.034 0.000 0.745 182 L CB -0.642 41.386 42.059 -0.052 0.000 0.894 182 L HN 0.335 nan 8.230 nan 0.000 0.432 183 D N -1.433 118.939 120.400 -0.047 0.000 2.178 183 D HA -0.136 4.504 4.640 -0.000 0.000 0.202 183 D C 2.007 178.308 176.300 0.002 0.000 0.974 183 D CA 1.571 55.546 54.000 -0.041 0.000 0.841 183 D CB -0.010 40.749 40.800 -0.069 0.000 0.953 183 D HN 0.381 nan 8.370 nan 0.000 0.478 184 T N 0.988 115.549 114.554 0.011 0.000 2.777 184 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 184 T C 2.253 176.988 174.700 0.059 0.000 1.040 184 T CA 0.534 62.652 62.100 0.030 0.000 1.141 184 T CB -0.080 68.797 68.868 0.015 0.000 0.868 184 T HN 0.151 nan 8.240 nan 0.000 0.444 185 I N 0.937 121.547 120.570 0.067 0.000 2.142 185 I HA -0.139 4.031 4.170 -0.000 0.000 0.240 185 I C 2.286 178.518 176.117 0.192 0.000 1.078 185 I CA 1.215 62.594 61.300 0.131 0.000 1.343 185 I CB -0.485 37.572 38.000 0.094 0.000 1.046 185 I HN 0.180 nan 8.210 nan 0.000 0.405 186 L N 0.376 121.657 121.223 0.097 0.000 2.079 186 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 186 L C 2.202 179.142 176.870 0.117 0.000 1.081 186 L CA 1.601 56.494 54.840 0.087 0.000 0.752 186 L CB -0.904 41.123 42.059 -0.054 0.000 0.896 186 L HN 0.348 nan 8.230 nan 0.000 0.433 187 N N -0.419 118.336 118.700 0.091 0.000 2.453 187 N HA -0.166 4.574 4.740 -0.000 0.000 0.183 187 N C 1.763 177.346 175.510 0.123 0.000 1.041 187 N CA 0.633 53.734 53.050 0.086 0.000 0.900 187 N CB 0.130 38.679 38.487 0.104 0.000 0.961 187 N HN 0.234 nan 8.380 nan 0.000 0.443 188 Q N 0.194 120.074 119.800 0.133 0.000 2.488 188 Q HA -0.039 4.301 4.340 -0.000 0.000 0.211 188 Q C 1.487 177.408 176.000 -0.131 0.000 0.967 188 Q CA 0.406 56.258 55.803 0.081 0.000 0.926 188 Q CB -0.089 28.560 28.738 -0.147 0.000 0.992 188 Q HN 0.459 nan 8.270 nan 0.000 0.506 189 K N 1.105 121.475 120.400 -0.050 0.000 2.127 189 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 189 K C 1.861 178.351 176.600 -0.182 0.000 1.047 189 K CA 1.191 57.462 56.287 -0.027 0.000 0.927 189 K CB 0.091 32.636 32.500 0.075 0.000 0.716 189 K HN 0.158 nan 8.250 nan 0.000 0.450 190 R N -0.998 119.277 120.500 -0.375 0.000 2.159 190 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 190 R C 1.698 177.516 176.300 -0.803 0.000 1.131 190 R CA 1.443 57.094 56.100 -0.749 0.000 0.982 190 R CB -0.038 29.419 30.300 -1.405 0.000 0.868 190 R HN 0.447 nan 8.270 nan 0.000 0.453 191 W N -0.839 120.364 121.300 -0.161 0.000 2.871 191 W HA 0.206 4.866 4.660 -0.000 0.000 0.267 191 W C 0.951 177.348 176.519 -0.203 0.000 1.180 191 W CA -0.523 56.723 57.345 -0.166 0.000 1.463 191 W CB -0.183 29.170 29.460 -0.179 0.000 0.966 191 W HN 0.031 nan 8.180 nan 0.000 0.605 192 N N 1.115 119.755 118.700 -0.100 0.000 2.515 192 N HA -0.082 4.658 4.740 -0.000 0.000 0.185 192 N C 0.979 176.444 175.510 -0.075 0.000 1.109 192 N CA 0.749 53.667 53.050 -0.221 0.000 0.903 192 N CB -0.326 37.790 38.487 -0.618 0.000 0.969 192 N HN 0.138 nan 8.380 nan 0.000 0.450 193 N N -0.210 118.460 118.700 -0.051 0.000 2.356 193 N HA 0.052 4.792 4.740 -0.000 0.000 0.178 193 N C 1.064 176.568 175.510 -0.010 0.000 1.075 193 N CA 0.128 53.170 53.050 -0.014 0.000 0.889 193 N CB 0.198 38.669 38.487 -0.028 0.000 0.999 193 N HN 0.109 nan 8.380 nan 0.000 0.464 194 G N 0.171 108.962 108.800 -0.015 0.000 2.651 194 G HA2 0.204 4.164 3.960 -0.000 0.000 0.260 194 G HA3 0.204 4.164 3.960 -0.000 0.000 0.260 194 G C 0.720 175.639 174.900 0.032 0.000 1.216 194 G CA -0.033 45.072 45.100 0.009 0.000 0.913 194 G HN 0.225 nan 8.290 nan 0.000 0.535 195 S N -1.476 114.247 115.700 0.039 0.000 2.539 195 S HA 0.090 4.560 4.470 -0.000 0.000 0.221 195 S C 0.317 174.954 174.600 0.061 0.000 0.987 195 S CA -0.074 58.157 58.200 0.051 0.000 0.929 195 S CB 0.397 63.623 63.200 0.043 0.000 0.832 195 S HN 0.466 nan 8.310 nan 0.000 0.492 196 D N 2.552 122.989 120.400 0.061 0.000 2.374 196 D HA 0.177 4.817 4.640 -0.000 0.000 0.240 196 D C 0.895 177.239 176.300 0.073 0.000 1.229 196 D CA -0.023 54.016 54.000 0.065 0.000 0.895 196 D CB 0.728 41.567 40.800 0.066 0.000 1.046 196 D HN 0.081 nan 8.370 nan 0.000 0.498 197 E N 1.475 121.730 120.200 0.091 0.000 2.110 197 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 197 E C 1.852 178.531 176.600 0.131 0.000 0.988 197 E CA 0.878 57.355 56.400 0.128 0.000 0.804 197 E CB -0.128 29.662 29.700 0.151 0.000 0.745 197 E HN 0.593 nan 8.360 nan 0.000 0.458 198 S N 0.506 116.270 115.700 0.107 0.000 2.447 198 S HA -0.083 4.387 4.470 -0.000 0.000 0.233 198 S C 1.645 176.287 174.600 0.070 0.000 1.006 198 S CA 0.883 59.165 58.200 0.137 0.000 0.957 198 S CB -0.079 63.177 63.200 0.093 0.000 0.773 198 S HN 0.129 nan 8.310 nan 0.000 0.507 199 K N 0.637 121.030 120.400 -0.011 0.000 2.374 199 K HA 0.244 4.564 4.320 -0.000 0.000 0.196 199 K C 0.196 176.680 176.600 -0.194 0.000 1.023 199 K CA 0.018 56.207 56.287 -0.164 0.000 1.103 199 K CB 0.275 32.715 32.500 -0.100 0.000 0.848 199 K HN 0.337 nan 8.250 nan 0.000 0.528 200 K N 1.211 121.561 120.400 -0.083 0.000 2.154 200 K HA 0.238 4.558 4.320 -0.000 0.000 0.264 200 K C -0.838 175.604 176.600 -0.263 0.000 1.008 200 K CA -0.505 55.662 56.287 -0.200 0.000 0.937 200 K CB 0.853 33.188 32.500 -0.275 0.000 1.002 200 K HN -0.155 nan 8.250 nan 0.000 0.469 201 L N 3.684 124.658 121.223 -0.414 0.000 2.427 201 L HA 0.286 4.626 4.340 -0.000 0.000 0.264 201 L C -1.646 174.979 176.870 -0.407 0.000 0.989 201 L CA -0.383 54.269 54.840 -0.313 0.000 0.865 201 L CB 0.572 42.486 42.059 -0.242 0.000 1.209 201 L HN 0.442 nan 8.230 nan 0.000 0.430 202 Y N 3.038 123.205 120.300 -0.222 0.000 2.359 202 Y HA 0.381 4.931 4.550 0.000 0.000 0.330 202 Y C 0.588 176.366 175.900 -0.203 0.000 1.143 202 Y CA -0.006 57.910 58.100 -0.306 0.000 1.318 202 Y CB 0.770 38.697 38.460 -0.887 0.000 1.234 202 Y HN 0.476 nan 8.280 nan 0.000 0.522 203 C N 3.406 122.770 119.300 0.108 0.000 2.355 203 C HA 0.720 5.180 4.460 -0.000 0.000 0.332 203 C C -0.268 174.761 174.990 0.064 0.000 1.255 203 C CA -1.099 57.972 59.018 0.088 0.000 1.792 203 C CB 0.542 28.381 27.740 0.165 0.000 2.300 203 C HN 0.563 nan 8.230 nan 0.000 0.515 204 V N 3.292 123.223 119.914 0.028 0.000 2.443 204 V HA 0.304 4.424 4.120 -0.000 0.000 0.293 204 V C -0.996 175.098 176.094 -0.001 0.000 1.021 204 V CA -0.567 61.745 62.300 0.020 0.000 0.848 204 V CB 1.114 32.929 31.823 -0.012 0.000 0.998 204 V HN 0.803 nan 8.190 nan 0.000 0.424 205 Y N 5.065 125.319 120.300 -0.076 0.000 2.331 205 Y HA 0.672 5.222 4.550 -0.000 0.000 0.338 205 Y C -0.335 175.515 175.900 -0.083 0.000 0.976 205 Y CA -0.643 57.404 58.100 -0.090 0.000 1.137 205 Y CB 1.677 40.104 38.460 -0.054 0.000 1.172 205 Y HN 0.434 nan 8.280 nan 0.000 0.478 206 V N 6.082 125.609 119.914 -0.645 0.000 2.347 206 V HA 0.666 4.786 4.120 -0.000 0.000 0.280 206 V C -0.100 175.684 176.094 -0.516 0.000 1.021 206 V CA -0.757 61.294 62.300 -0.415 0.000 0.847 206 V CB 0.858 32.523 31.823 -0.264 0.000 0.990 206 V HN 0.922 nan 8.190 nan 0.000 0.444 207 A N 5.348 128.039 122.820 -0.214 0.000 2.280 207 A HA 0.763 5.083 4.320 -0.000 0.000 0.320 207 A C -0.511 177.065 177.584 -0.014 0.000 1.366 207 A CA -0.422 51.575 52.037 -0.066 0.000 0.938 207 A CB 0.657 19.743 19.000 0.144 0.000 1.157 207 A HN 0.705 nan 8.150 nan 0.000 0.536 208 V N 2.227 122.131 119.914 -0.017 0.000 2.409 208 V HA 0.647 4.767 4.120 -0.000 0.000 0.291 208 V C 1.225 177.344 176.094 0.041 0.000 1.020 208 V CA 0.401 62.712 62.300 0.020 0.000 0.848 208 V CB 0.778 32.609 31.823 0.013 0.000 0.990 208 V HN 1.760 nan 8.190 nan 0.000 0.430 209 G N 3.627 112.461 108.800 0.057 0.000 2.168 209 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.263 209 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.263 209 G C 0.280 175.213 174.900 0.056 0.000 0.977 209 G CA 0.627 45.763 45.100 0.061 0.000 0.659 209 G HN 0.660 nan 8.290 nan 0.000 0.533 210 Q N -0.271 119.564 119.800 0.058 0.000 2.407 210 Q HA 0.442 4.782 4.340 -0.000 0.000 0.214 210 Q C 0.604 176.638 176.000 0.057 0.000 1.043 210 Q CA -0.051 55.790 55.803 0.063 0.000 0.983 210 Q CB 0.568 29.357 28.738 0.085 0.000 1.211 210 Q HN 0.385 nan 8.270 nan 0.000 0.564 211 K N 0.757 121.188 120.400 0.053 0.000 2.183 211 K HA 0.164 4.484 4.320 -0.000 0.000 0.274 211 K C 0.497 177.123 176.600 0.044 0.000 1.009 211 K CA -0.242 56.072 56.287 0.044 0.000 0.888 211 K CB 0.791 33.313 32.500 0.037 0.000 1.078 211 K HN 0.494 nan 8.250 nan 0.000 0.459 212 R N 1.074 121.598 120.500 0.039 0.000 2.113 212 R HA -0.209 4.131 4.340 -0.000 0.000 0.244 212 R C 2.122 178.439 176.300 0.030 0.000 1.142 212 R CA 2.503 58.624 56.100 0.036 0.000 0.953 212 R CB -0.340 29.977 30.300 0.030 0.000 0.860 212 R HN 0.888 nan 8.270 nan 0.000 0.438 213 S N -0.436 115.279 115.700 0.025 0.000 2.383 213 S HA -0.150 4.320 4.470 -0.000 0.000 0.229 213 S C 1.945 176.557 174.600 0.020 0.000 1.030 213 S CA 1.822 60.034 58.200 0.020 0.000 1.002 213 S CB -0.530 62.681 63.200 0.018 0.000 0.829 213 S HN 0.240 nan 8.310 nan 0.000 0.467 214 T N 2.136 116.707 114.554 0.028 0.000 2.821 214 T HA 0.013 4.363 4.350 -0.000 0.000 0.267 214 T C 1.888 176.603 174.700 0.024 0.000 1.046 214 T CA 1.379 63.496 62.100 0.030 0.000 1.139 214 T CB -0.479 68.414 68.868 0.042 0.000 0.871 214 T HN 0.328 nan 8.240 nan 0.000 0.454 215 V N 1.645 121.582 119.914 0.038 0.000 2.453 215 V HA -0.075 4.045 4.120 -0.000 0.000 0.247 215 V C 2.871 178.966 176.094 0.002 0.000 1.048 215 V CA 1.441 63.762 62.300 0.035 0.000 1.049 215 V CB -1.174 30.692 31.823 0.072 0.000 0.672 215 V HN 0.492 nan 8.190 nan 0.000 0.457 216 A N -0.175 122.649 122.820 0.007 0.000 1.933 216 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 216 A C 2.186 179.761 177.584 -0.014 0.000 1.175 216 A CA 2.110 54.145 52.037 -0.003 0.000 0.628 216 A CB -0.461 18.541 19.000 0.003 0.000 0.814 216 A HN 0.531 nan 8.150 nan 0.000 0.444 217 Q N -0.594 119.200 119.800 -0.011 0.000 2.230 217 Q HA 0.030 4.370 4.340 -0.000 0.000 0.202 217 Q C 1.793 177.775 176.000 -0.030 0.000 0.963 217 Q CA 1.385 57.180 55.803 -0.013 0.000 0.866 217 Q CB -0.393 28.347 28.738 0.002 0.000 0.931 217 Q HN 0.627 nan 8.270 nan 0.000 0.452 218 L N -0.505 120.687 121.223 -0.051 0.000 2.044 218 L HA -0.068 4.272 4.340 -0.000 0.000 0.205 218 L C 2.091 178.895 176.870 -0.111 0.000 1.075 218 L CA 1.264 56.042 54.840 -0.103 0.000 0.747 218 L CB -0.298 41.641 42.059 -0.201 0.000 0.903 218 L HN 0.274 nan 8.230 nan 0.000 0.435 219 V N -2.572 117.288 119.914 -0.091 0.000 2.490 219 V HA -0.295 3.825 4.120 -0.000 0.000 0.250 219 V C 2.287 178.344 176.094 -0.061 0.000 1.061 219 V CA 2.004 64.258 62.300 -0.077 0.000 1.064 219 V CB -1.163 30.629 31.823 -0.051 0.000 0.670 219 V HN 0.666 nan 8.190 nan 0.000 0.461 220 Q N 0.381 120.152 119.800 -0.049 0.000 2.119 220 Q HA -0.177 4.163 4.340 -0.000 0.000 0.201 220 Q C 2.313 178.286 176.000 -0.044 0.000 0.972 220 Q CA 2.320 58.097 55.803 -0.044 0.000 0.847 220 Q CB -0.224 28.492 28.738 -0.037 0.000 0.903 220 Q HN 0.739 nan 8.270 nan 0.000 0.433 221 T N 1.314 115.843 114.554 -0.041 0.000 2.821 221 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 221 T C 1.789 176.511 174.700 0.038 0.000 1.046 221 T CA 0.851 62.943 62.100 -0.013 0.000 1.139 221 T CB -0.085 68.764 68.868 -0.031 0.000 0.871 221 T HN 0.240 nan 8.240 nan 0.000 0.454 222 L N 0.385 121.588 121.223 -0.033 0.000 2.141 222 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 222 L C 2.664 179.502 176.870 -0.053 0.000 1.094 222 L CA 1.247 56.052 54.840 -0.058 0.000 0.763 222 L CB -0.400 41.586 42.059 -0.122 0.000 0.908 222 L HN 0.295 nan 8.230 nan 0.000 0.437 223 E N -0.148 120.020 120.200 -0.053 0.000 2.028 223 E HA -0.233 4.117 4.350 -0.000 0.000 0.191 223 E C 2.191 178.758 176.600 -0.056 0.000 0.988 223 E CA 0.994 57.359 56.400 -0.058 0.000 0.799 223 E CB 0.008 29.675 29.700 -0.055 0.000 0.755 223 E HN 0.474 nan 8.360 nan 0.000 0.447 224 Q N -0.398 119.364 119.800 -0.064 0.000 2.368 224 Q HA -0.142 4.198 4.340 -0.000 0.000 0.210 224 Q C 1.282 177.139 176.000 -0.238 0.000 0.982 224 Q CA 0.845 56.564 55.803 -0.140 0.000 0.884 224 Q CB 0.053 28.689 28.738 -0.169 0.000 0.933 224 Q HN 0.423 nan 8.270 nan 0.000 0.460 225 H N -0.604 118.415 119.070 -0.086 0.000 2.586 225 H HA 0.025 4.581 4.556 -0.000 0.000 0.273 225 H C -0.153 175.146 175.328 -0.047 0.000 0.997 225 H CA 0.212 56.224 56.048 -0.060 0.000 1.177 225 H CB 0.620 30.356 29.762 -0.043 0.000 1.471 225 H HN 0.186 nan 8.280 nan 0.000 0.538 226 D N 0.453 120.856 120.400 0.005 0.000 2.723 226 D HA -0.176 4.464 4.640 -0.000 0.000 0.236 226 D C 0.816 177.078 176.300 -0.063 0.000 1.138 226 D CA 0.679 54.667 54.000 -0.021 0.000 0.676 226 D CB -1.039 39.764 40.800 0.005 0.000 1.069 226 D HN 0.513 nan 8.370 nan 0.000 0.430 227 A N -0.540 122.171 122.820 -0.181 0.000 2.259 227 A HA 0.195 4.515 4.320 -0.000 0.000 0.213 227 A C 1.823 178.954 177.584 -0.755 0.000 1.209 227 A CA 0.794 52.491 52.037 -0.566 0.000 0.910 227 A CB -0.019 18.812 19.000 -0.282 0.000 0.946 227 A HN 0.284 nan 8.150 nan 0.000 0.497 228 M N 1.582 120.968 119.600 -0.358 0.000 2.213 228 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 228 M C 1.986 178.153 176.300 -0.222 0.000 1.062 228 M CA 2.034 57.186 55.300 -0.247 0.000 1.105 228 M CB -0.505 32.016 32.600 -0.131 0.000 1.385 228 M HN 0.490 nan 8.290 nan 0.000 0.417 229 K N -0.382 119.893 120.400 -0.209 0.000 2.280 229 K HA -0.179 4.141 4.320 -0.000 0.000 0.202 229 K C 0.686 177.324 176.600 0.064 0.000 1.047 229 K CA 1.669 57.928 56.287 -0.046 0.000 0.942 229 K CB -0.776 31.736 32.500 0.020 0.000 0.739 229 K HN 0.623 nan 8.250 nan 0.000 0.457 230 Y N -0.483 119.861 120.300 0.073 0.000 2.660 230 Y HA 0.512 5.062 4.550 -0.000 0.000 0.254 230 Y C -0.347 175.606 175.900 0.088 0.000 1.176 230 Y CA -1.165 57.005 58.100 0.116 0.000 1.195 230 Y CB 0.276 38.754 38.460 0.030 0.000 1.190 230 Y HN -0.143 nan 8.280 nan 0.000 0.535 231 S N 1.217 116.914 115.700 -0.005 0.000 2.532 231 S HA 0.724 5.194 4.470 -0.000 0.000 0.301 231 S C -0.763 173.861 174.600 0.041 0.000 1.083 231 S CA -0.637 57.572 58.200 0.016 0.000 1.025 231 S CB 1.766 64.910 63.200 -0.093 0.000 1.056 231 S HN 0.260 nan 8.310 nan 0.000 0.494 232 I N 2.792 123.402 120.570 0.067 0.000 2.436 232 I HA 0.398 4.568 4.170 -0.000 0.000 0.289 232 I C -0.987 175.174 176.117 0.073 0.000 1.010 232 I CA -0.638 60.703 61.300 0.068 0.000 1.098 232 I CB 1.392 39.449 38.000 0.094 0.000 1.266 232 I HN 0.371 nan 8.210 nan 0.000 0.434 233 I N 7.070 127.679 120.570 0.065 0.000 2.321 233 I HA 0.324 4.494 4.170 -0.000 0.000 0.291 233 I C -0.104 176.053 176.117 0.067 0.000 0.998 233 I CA -0.721 60.639 61.300 0.098 0.000 1.227 233 I CB 1.378 39.431 38.000 0.089 0.000 1.368 233 I HN 0.145 nan 8.210 nan 0.000 0.466 234 V N 5.958 125.905 119.914 0.055 0.000 2.334 234 V HA 0.679 4.799 4.120 -0.000 0.000 0.281 234 V C 0.409 176.519 176.094 0.028 0.000 1.016 234 V CA -0.580 61.735 62.300 0.025 0.000 0.832 234 V CB 1.306 33.130 31.823 0.001 0.000 0.999 234 V HN 0.866 nan 8.190 nan 0.000 0.439 235 A N 4.131 126.973 122.820 0.037 0.000 2.331 235 A HA 0.918 5.238 4.320 -0.000 0.000 0.320 235 A C 0.035 177.644 177.584 0.043 0.000 1.138 235 A CA -0.322 51.744 52.037 0.048 0.000 0.790 235 A CB 1.553 20.589 19.000 0.061 0.000 1.206 235 A HN 1.365 nan 8.150 nan 0.000 0.470 236 A N 2.782 125.631 122.820 0.048 0.000 2.943 236 A HA 0.598 4.918 4.320 -0.000 0.000 0.327 236 A C 0.381 178.003 177.584 0.064 0.000 1.141 236 A CA 0.127 52.200 52.037 0.061 0.000 0.773 236 A CB -0.431 18.613 19.000 0.073 0.000 1.143 236 A HN 1.350 nan 8.150 nan 0.000 0.463 237 T N -1.393 113.197 114.554 0.060 0.000 2.698 237 T HA 0.500 4.850 4.350 -0.000 0.000 0.295 237 T C 1.612 176.347 174.700 0.058 0.000 1.007 237 T CA 0.138 62.272 62.100 0.058 0.000 0.980 237 T CB 0.889 69.788 68.868 0.052 0.000 1.036 237 T HN 1.153 nan 8.240 nan 0.000 0.526 238 A N 0.787 123.638 122.820 0.052 0.000 1.978 238 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 238 A C 2.534 180.146 177.584 0.046 0.000 1.170 238 A CA 2.088 54.155 52.037 0.050 0.000 0.636 238 A CB -1.413 17.613 19.000 0.043 0.000 0.810 238 A HN 1.056 nan 8.150 nan 0.000 0.448 239 S N -0.250 115.476 115.700 0.043 0.000 2.470 239 S HA 0.051 4.521 4.470 -0.000 0.000 0.225 239 S C 0.577 175.204 174.600 0.044 0.000 1.006 239 S CA -0.119 58.103 58.200 0.038 0.000 0.934 239 S CB -0.237 62.982 63.200 0.032 0.000 0.778 239 S HN 0.639 nan 8.310 nan 0.000 0.517 240 E N 1.866 122.099 120.200 0.055 0.000 2.415 240 E HA 0.409 4.759 4.350 -0.000 0.000 0.262 240 E C 0.123 176.770 176.600 0.078 0.000 1.038 240 E CA -0.062 56.380 56.400 0.069 0.000 0.921 240 E CB 0.485 30.233 29.700 0.080 0.000 0.950 240 E HN 0.470 nan 8.360 nan 0.000 0.438 241 A N 1.999 124.870 122.820 0.086 0.000 2.483 241 A HA 0.231 4.551 4.320 -0.000 0.000 0.238 241 A C 1.330 178.978 177.584 0.107 0.000 1.070 241 A CA 0.556 52.638 52.037 0.076 0.000 0.770 241 A CB 0.448 19.486 19.000 0.063 0.000 1.008 241 A HN 0.798 nan 8.150 nan 0.000 0.497 242 A N 3.300 126.168 122.820 0.080 0.000 1.927 242 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 242 A C -0.139 177.553 177.584 0.180 0.000 1.185 242 A CA 2.242 54.346 52.037 0.111 0.000 0.639 242 A CB -1.775 17.265 19.000 0.066 0.000 0.820 242 A HN 0.647 nan 8.150 nan 0.000 0.451 243 P HA -0.141 nan 4.420 nan 0.000 0.218 243 P C 1.406 179.006 177.300 0.499 0.000 1.148 243 P CA 0.890 64.129 63.100 0.231 0.000 0.822 243 P CB -0.128 31.522 31.700 -0.083 0.000 0.784 244 L N -0.986 120.492 121.223 0.424 0.000 2.027 244 L HA -0.206 4.134 4.340 -0.000 0.000 0.206 244 L C 2.655 179.676 176.870 0.251 0.000 1.074 244 L CA 1.598 56.648 54.840 0.351 0.000 0.745 244 L CB -0.972 41.236 42.059 0.248 0.000 0.898 244 L HN 0.003 nan 8.230 nan 0.000 0.433 245 Q N -1.048 118.887 119.800 0.225 0.000 2.084 245 Q HA -0.264 4.076 4.340 -0.000 0.000 0.202 245 Q C 2.131 178.257 176.000 0.209 0.000 0.978 245 Q CA 1.974 57.884 55.803 0.178 0.000 0.844 245 Q CB -0.385 28.446 28.738 0.156 0.000 0.898 245 Q HN 0.514 nan 8.270 nan 0.000 0.426 246 Y N 1.114 121.516 120.300 0.169 0.000 2.128 246 Y HA -0.254 4.296 4.550 -0.000 0.000 0.284 246 Y C 1.930 177.978 175.900 0.247 0.000 1.154 246 Y CA 1.349 59.568 58.100 0.199 0.000 1.149 246 Y CB -0.212 38.386 38.460 0.230 0.000 0.976 246 Y HN 0.076 nan 8.280 nan 0.000 0.505 247 L N 0.431 121.773 121.223 0.198 0.000 2.240 247 L HA 0.126 4.466 4.340 -0.000 0.000 0.211 247 L C 2.484 179.401 176.870 0.078 0.000 1.106 247 L CA 1.480 56.397 54.840 0.129 0.000 0.793 247 L CB -0.969 41.264 42.059 0.289 0.000 0.927 247 L HN 0.329 nan 8.230 nan 0.000 0.446 248 A N 0.521 123.369 122.820 0.047 0.000 1.908 248 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 248 A C -0.116 177.454 177.584 -0.023 0.000 1.181 248 A CA 1.945 53.991 52.037 0.015 0.000 0.627 248 A CB -1.916 17.098 19.000 0.023 0.000 0.818 248 A HN 0.396 nan 8.150 nan 0.000 0.445 249 P HA -0.074 nan 4.420 nan 0.000 0.218 249 P C 0.896 178.076 177.300 -0.201 0.000 1.149 249 P CA 0.856 63.875 63.100 -0.135 0.000 0.817 249 P CB -0.124 31.283 31.700 -0.489 0.000 0.785 250 F N -0.013 119.876 119.950 -0.101 0.000 2.128 250 F HA -0.127 4.400 4.527 0.000 0.000 0.295 250 F C 2.472 178.247 175.800 -0.042 0.000 1.100 250 F CA 1.860 59.794 58.000 -0.111 0.000 1.260 250 F CB -2.021 36.853 39.000 -0.210 0.000 1.009 250 F HN -0.065 nan 8.300 nan 0.000 0.476 251 T N -1.445 113.191 114.554 0.137 0.000 2.746 251 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 251 T C 2.194 176.932 174.700 0.062 0.000 1.039 251 T CA 1.026 63.170 62.100 0.074 0.000 1.142 251 T CB -1.002 67.885 68.868 0.032 0.000 0.866 251 T HN 0.199 nan 8.240 nan 0.000 0.444 252 A N 2.219 125.070 122.820 0.053 0.000 1.908 252 A HA 0.228 4.548 4.320 -0.000 0.000 0.218 252 A C 2.870 180.493 177.584 0.065 0.000 1.181 252 A CA 2.115 54.175 52.037 0.039 0.000 0.627 252 A CB -1.501 17.497 19.000 -0.003 0.000 0.818 252 A HN 0.750 nan 8.150 nan 0.000 0.445 253 A N -0.449 122.436 122.820 0.108 0.000 1.917 253 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 253 A C 2.441 180.094 177.584 0.115 0.000 1.182 253 A CA 2.293 54.408 52.037 0.129 0.000 0.633 253 A CB -0.969 18.119 19.000 0.147 0.000 0.819 253 A HN 0.483 nan 8.150 nan 0.000 0.448 254 S N -0.382 115.381 115.700 0.105 0.000 2.382 254 S HA -0.094 4.376 4.470 -0.000 0.000 0.228 254 S C 1.768 176.436 174.600 0.112 0.000 1.027 254 S CA 1.405 59.663 58.200 0.096 0.000 0.991 254 S CB -0.471 62.773 63.200 0.074 0.000 0.823 254 S HN 0.544 nan 8.310 nan 0.000 0.469 255 I N 1.439 122.072 120.570 0.106 0.000 2.202 255 I HA -0.126 4.044 4.170 -0.000 0.000 0.242 255 I C 2.703 178.969 176.117 0.247 0.000 1.091 255 I CA 1.226 62.600 61.300 0.124 0.000 1.368 255 I CB -0.761 37.295 38.000 0.094 0.000 1.058 255 I HN 0.369 nan 8.210 nan 0.000 0.410 256 G N -0.073 108.868 108.800 0.235 0.000 2.432 256 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 256 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 256 G C 1.530 176.612 174.900 0.304 0.000 1.135 256 G CA 0.515 45.797 45.100 0.304 0.000 0.767 256 G HN 0.400 nan 8.290 nan 0.000 0.550 257 E N -0.846 119.472 120.200 0.197 0.000 2.204 257 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 257 E C 1.909 178.569 176.600 0.100 0.000 0.989 257 E CA 0.367 56.844 56.400 0.129 0.000 0.824 257 E CB -0.174 29.579 29.700 0.087 0.000 0.756 257 E HN 0.668 nan 8.360 nan 0.000 0.477 258 W N 0.594 121.855 121.300 -0.066 0.000 2.333 258 W HA -0.261 4.399 4.660 -0.000 0.000 0.316 258 W C 1.509 177.881 176.519 -0.244 0.000 1.215 258 W CA 1.683 58.900 57.345 -0.214 0.000 1.278 258 W CB -0.380 28.848 29.460 -0.386 0.000 1.154 258 W HN -0.005 nan 8.180 nan 0.000 0.486 259 F N 0.373 120.462 119.950 0.232 0.000 2.069 259 F HA -0.216 4.311 4.527 0.000 0.000 0.298 259 F C 2.782 178.493 175.800 -0.148 0.000 1.113 259 F CA 2.341 60.371 58.000 0.050 0.000 1.214 259 F CB -1.419 37.675 39.000 0.156 0.000 0.978 259 F HN -0.166 nan 8.300 nan 0.000 0.474 260 R N 0.674 121.235 120.500 0.101 0.000 2.091 260 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 260 R C 1.550 177.774 176.300 -0.125 0.000 1.136 260 R CA 2.150 58.242 56.100 -0.013 0.000 0.959 260 R CB -0.543 29.777 30.300 0.035 0.000 0.856 260 R HN 0.224 nan 8.270 nan 0.000 0.437 261 D N 0.006 120.292 120.400 -0.189 0.000 2.312 261 D HA -0.066 4.574 4.640 -0.000 0.000 0.211 261 D C 0.531 176.622 176.300 -0.349 0.000 0.964 261 D CA 0.750 54.605 54.000 -0.242 0.000 0.877 261 D CB -0.098 40.558 40.800 -0.241 0.000 0.924 261 D HN 0.273 nan 8.370 nan 0.000 0.515 262 N N -0.192 118.207 118.700 -0.502 0.000 2.273 262 N HA 0.156 4.896 4.740 -0.000 0.000 0.231 262 N C 0.858 176.165 175.510 -0.338 0.000 1.134 262 N CA 0.224 52.940 53.050 -0.557 0.000 0.856 262 N CB 1.484 39.303 38.487 -1.114 0.000 1.068 262 N HN 0.102 nan 8.380 nan 0.000 0.510 263 G N 1.146 109.796 108.800 -0.250 0.000 2.147 263 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.244 263 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.244 263 G C 0.128 174.898 174.900 -0.217 0.000 1.005 263 G CA 0.361 45.345 45.100 -0.194 0.000 0.713 263 G HN 0.318 nan 8.290 nan 0.000 0.515 264 K N -0.659 119.619 120.400 -0.204 0.000 2.354 264 K HA 0.714 5.034 4.320 -0.000 0.000 0.238 264 K C -0.443 175.976 176.600 -0.302 0.000 1.068 264 K CA -1.022 55.201 56.287 -0.107 0.000 0.925 264 K CB 1.107 33.781 32.500 0.290 0.000 1.286 264 K HN 0.292 nan 8.250 nan 0.000 0.500 265 H N -0.433 118.756 119.070 0.198 0.000 2.609 265 H HA 0.511 5.067 4.556 0.000 0.000 0.344 265 H C -1.083 174.301 175.328 0.094 0.000 1.040 265 H CA -0.743 55.360 56.048 0.092 0.000 1.216 265 H CB 1.957 31.705 29.762 -0.023 0.000 1.529 265 H HN 0.679 nan 8.280 nan 0.000 0.519 266 A N 2.966 125.884 122.820 0.165 0.000 2.380 266 A HA 0.578 4.898 4.320 -0.000 0.000 0.315 266 A C -1.209 176.394 177.584 0.032 0.000 1.101 266 A CA -0.715 51.359 52.037 0.060 0.000 0.771 266 A CB 1.769 20.832 19.000 0.105 0.000 1.287 266 A HN 0.485 nan 8.150 nan 0.000 0.436 267 L N 2.079 123.296 121.223 -0.010 0.000 2.349 267 L HA 0.758 5.098 4.340 -0.000 0.000 0.278 267 L C -1.105 175.726 176.870 -0.065 0.000 0.996 267 L CA -0.343 54.479 54.840 -0.030 0.000 0.825 267 L CB 1.185 43.225 42.059 -0.031 0.000 1.243 267 L HN 0.682 nan 8.230 nan 0.000 0.412 268 I N 5.301 125.792 120.570 -0.132 0.000 2.404 268 I HA 0.578 4.748 4.170 -0.000 0.000 0.293 268 I C -1.207 174.649 176.117 -0.435 0.000 0.992 268 I CA -0.715 60.402 61.300 -0.305 0.000 1.149 268 I CB 1.768 39.519 38.000 -0.415 0.000 1.315 268 I HN 0.421 nan 8.210 nan 0.000 0.446 269 V N 8.117 127.762 119.914 -0.448 0.000 2.378 269 V HA 0.290 4.410 4.120 -0.000 0.000 0.288 269 V C -1.092 174.647 176.094 -0.592 0.000 1.016 269 V CA -0.444 61.626 62.300 -0.383 0.000 0.840 269 V CB 1.072 32.829 31.823 -0.110 0.000 0.994 269 V HN 0.479 nan 8.190 nan 0.000 0.431 270 Y N 2.668 122.822 120.300 -0.243 0.000 2.595 270 Y HA 0.448 4.998 4.550 -0.000 0.000 0.347 270 Y C 0.358 176.099 175.900 -0.266 0.000 1.025 270 Y CA -0.754 57.180 58.100 -0.277 0.000 1.295 270 Y CB 0.587 38.897 38.460 -0.250 0.000 1.147 270 Y HN 0.513 nan 8.280 nan 0.000 0.515 271 D N 3.680 123.941 120.400 -0.232 0.000 2.464 271 D HA 0.196 4.836 4.640 -0.000 0.000 0.243 271 D C -1.229 175.018 176.300 -0.089 0.000 1.104 271 D CA -0.456 53.448 54.000 -0.159 0.000 0.883 271 D CB 0.438 41.125 40.800 -0.187 0.000 1.050 271 D HN 0.675 nan 8.370 nan 0.000 0.524 272 D N 0.826 121.205 120.400 -0.035 0.000 2.523 272 D HA 0.241 4.881 4.640 -0.000 0.000 0.236 272 D C 0.990 177.266 176.300 -0.041 0.000 1.094 272 D CA -0.741 53.236 54.000 -0.038 0.000 0.942 272 D CB 1.145 41.932 40.800 -0.022 0.000 1.447 272 D HN 0.108 nan 8.370 nan 0.000 0.479 273 L N 0.237 121.399 121.223 -0.101 0.000 2.291 273 L HA -0.051 4.289 4.340 -0.000 0.000 0.214 273 L C 1.896 178.760 176.870 -0.011 0.000 1.120 273 L CA 0.572 55.320 54.840 -0.152 0.000 0.799 273 L CB -0.407 41.341 42.059 -0.518 0.000 0.925 273 L HN 0.432 nan 8.230 nan 0.000 0.446 274 S N 0.393 116.088 115.700 -0.007 0.000 2.365 274 S HA -0.229 4.241 4.470 -0.000 0.000 0.225 274 S C 1.951 176.631 174.600 0.133 0.000 1.039 274 S CA 1.550 59.794 58.200 0.072 0.000 1.033 274 S CB -0.127 63.105 63.200 0.053 0.000 0.887 274 S HN 0.391 nan 8.310 nan 0.000 0.447 275 K N 0.863 121.322 120.400 0.097 0.000 2.155 275 K HA -0.020 4.300 4.320 -0.000 0.000 0.203 275 K C 2.445 179.130 176.600 0.142 0.000 1.052 275 K CA 0.697 57.050 56.287 0.111 0.000 0.948 275 K CB -0.097 32.449 32.500 0.077 0.000 0.728 275 K HN 0.352 nan 8.250 nan 0.000 0.448 276 Q N 0.629 120.512 119.800 0.137 0.000 2.079 276 Q HA -0.153 4.187 4.340 -0.000 0.000 0.200 276 Q C 2.037 178.194 176.000 0.263 0.000 0.974 276 Q CA 1.525 57.428 55.803 0.166 0.000 0.840 276 Q CB -0.078 28.712 28.738 0.087 0.000 0.898 276 Q HN 0.323 nan 8.270 nan 0.000 0.430 277 A N 0.125 123.123 122.820 0.296 0.000 1.902 277 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 277 A C 2.218 180.075 177.584 0.455 0.000 1.181 277 A CA 1.553 53.820 52.037 0.383 0.000 0.623 277 A CB -0.780 18.420 19.000 0.333 0.000 0.818 277 A HN 0.306 nan 8.150 nan 0.000 0.443 278 V N -0.221 119.899 119.914 0.344 0.000 2.407 278 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 278 V C 3.009 179.180 176.094 0.128 0.000 1.055 278 V CA 1.937 64.346 62.300 0.181 0.000 1.049 278 V CB -1.124 30.779 31.823 0.133 0.000 0.662 278 V HN 0.632 nan 8.190 nan 0.000 0.455 279 A N -0.946 121.988 122.820 0.190 0.000 1.898 279 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 279 A C 2.181 179.906 177.584 0.235 0.000 1.181 279 A CA 1.785 53.936 52.037 0.190 0.000 0.620 279 A CB -0.753 18.381 19.000 0.224 0.000 0.819 279 A HN 0.588 nan 8.150 nan 0.000 0.442 280 Y N 0.732 121.144 120.300 0.186 0.000 2.274 280 Y HA -0.185 4.365 4.550 -0.000 0.000 0.290 280 Y C 2.411 178.349 175.900 0.064 0.000 1.145 280 Y CA 1.803 59.994 58.100 0.152 0.000 1.203 280 Y CB -0.479 38.146 38.460 0.276 0.000 0.984 280 Y HN 0.369 nan 8.280 nan 0.000 0.533 281 R N 0.135 120.638 120.500 0.006 0.000 2.092 281 R HA -0.208 4.132 4.340 -0.000 0.000 0.231 281 R C 2.440 178.643 176.300 -0.160 0.000 1.119 281 R CA 1.733 57.731 56.100 -0.171 0.000 0.970 281 R CB -0.350 29.780 30.300 -0.283 0.000 0.864 281 R HN 0.549 nan 8.270 nan 0.000 0.440 282 Q N 0.353 120.103 119.800 -0.082 0.000 1.993 282 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 282 Q C 2.041 177.989 176.000 -0.086 0.000 0.984 282 Q CA 1.669 57.430 55.803 -0.069 0.000 0.837 282 Q CB -0.120 28.604 28.738 -0.024 0.000 0.902 282 Q HN 0.302 nan 8.270 nan 0.000 0.423 283 L N 0.529 121.703 121.223 -0.081 0.000 2.011 283 L HA -0.318 4.022 4.340 -0.000 0.000 0.225 283 L C 2.581 179.366 176.870 -0.142 0.000 1.084 283 L CA 2.320 57.092 54.840 -0.114 0.000 0.791 283 L CB -0.909 41.066 42.059 -0.140 0.000 0.898 283 L HN 0.190 nan 8.230 nan 0.000 0.440 284 S N -1.095 114.478 115.700 -0.211 0.000 2.368 284 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 284 S C 1.946 176.461 174.600 -0.141 0.000 1.029 284 S CA 1.125 59.199 58.200 -0.211 0.000 0.988 284 S CB -0.333 62.655 63.200 -0.354 0.000 0.838 284 S HN 0.311 nan 8.310 nan 0.000 0.462 285 L N 0.917 122.059 121.223 -0.135 0.000 2.093 285 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 285 L C 2.133 178.959 176.870 -0.074 0.000 1.085 285 L CA 0.964 55.746 54.840 -0.097 0.000 0.755 285 L CB -0.512 41.489 42.059 -0.096 0.000 0.904 285 L HN 0.291 nan 8.230 nan 0.000 0.435 286 L N -0.703 120.475 121.223 -0.076 0.000 2.109 286 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 286 L C 2.152 178.989 176.870 -0.055 0.000 1.086 286 L CA 0.799 55.603 54.840 -0.060 0.000 0.760 286 L CB -0.280 41.743 42.059 -0.060 0.000 0.910 286 L HN 0.248 nan 8.230 nan 0.000 0.437 287 L N -0.112 121.072 121.223 -0.065 0.000 2.675 287 L HA -0.014 4.326 4.340 -0.000 0.000 0.238 287 L C 0.706 177.551 176.870 -0.042 0.000 1.155 287 L CA 0.225 55.034 54.840 -0.052 0.000 0.881 287 L CB -0.400 41.623 42.059 -0.061 0.000 1.008 287 L HN 0.296 nan 8.230 nan 0.000 0.443 288 R N -0.087 120.385 120.500 -0.045 0.000 3.627 288 R HA -0.188 4.152 4.340 -0.000 0.000 0.281 288 R C 0.034 176.313 176.300 -0.035 0.000 1.140 288 R CA 0.460 56.538 56.100 -0.037 0.000 0.761 288 R CB -1.759 28.527 30.300 -0.025 0.000 1.181 288 R HN 0.424 nan 8.270 nan 0.000 0.472 289 R N 1.268 121.740 120.500 -0.047 0.000 2.442 289 R HA 0.130 4.470 4.340 -0.000 0.000 0.291 289 R C -2.066 174.211 176.300 -0.038 0.000 1.069 289 R CA -1.540 54.535 56.100 -0.040 0.000 1.022 289 R CB 0.340 30.607 30.300 -0.054 0.000 0.976 289 R HN -0.096 nan 8.270 nan 0.000 0.443 290 P HA 0.039 nan 4.420 nan 0.000 0.266 290 P C -2.190 175.103 177.300 -0.012 0.000 1.215 290 P CA -0.872 62.219 63.100 -0.015 0.000 0.763 290 P CB 0.143 31.840 31.700 -0.004 0.000 0.806 291 P HA 0.170 nan 4.420 nan 0.000 0.272 291 P C 0.283 177.598 177.300 0.025 0.000 1.230 291 P CA 0.040 63.138 63.100 -0.003 0.000 0.788 291 P CB 1.009 32.699 31.700 -0.018 0.000 0.949 292 G N 1.046 109.884 108.800 0.063 0.000 3.194 292 G HA2 0.265 4.225 3.960 -0.000 0.000 0.160 292 G HA3 0.265 4.225 3.960 -0.000 0.000 0.160 292 G C -0.449 174.493 174.900 0.069 0.000 1.267 292 G CA -0.594 44.547 45.100 0.068 0.000 0.962 292 G HN 0.544 nan 8.290 nan 0.000 0.612 293 R N 0.839 121.365 120.500 0.044 0.000 2.489 293 R HA 0.152 4.492 4.340 -0.000 0.000 0.287 293 R C -0.007 176.376 176.300 0.138 0.000 1.053 293 R CA 0.559 56.623 56.100 -0.061 0.000 1.036 293 R CB -0.096 29.940 30.300 -0.440 0.000 0.966 293 R HN 0.717 nan 8.270 nan 0.000 0.432 294 E N 2.483 122.750 120.200 0.112 0.000 2.883 294 E HA -0.338 4.012 4.350 -0.000 0.000 0.271 294 E C 0.289 176.972 176.600 0.139 0.000 1.049 294 E CA 0.567 57.086 56.400 0.199 0.000 0.817 294 E CB -1.119 28.821 29.700 0.400 0.000 1.407 294 E HN 0.888 nan 8.360 nan 0.000 0.434 295 A N -2.551 120.315 122.820 0.077 0.000 3.396 295 A HA -0.307 4.013 4.320 -0.000 0.000 0.267 295 A C 0.205 177.757 177.584 -0.054 0.000 1.139 295 A CA 1.719 53.742 52.037 -0.022 0.000 1.115 295 A CB -1.998 16.947 19.000 -0.093 0.000 1.133 295 A HN 0.423 nan 8.150 nan 0.000 0.920 296 Y N -0.002 120.354 120.300 0.093 0.000 2.330 296 Y HA 0.426 4.976 4.550 -0.000 0.000 0.341 296 Y C -1.575 174.351 175.900 0.043 0.000 1.278 296 Y CA -1.152 57.001 58.100 0.089 0.000 1.453 296 Y CB 0.050 38.638 38.460 0.212 0.000 1.342 296 Y HN 0.155 nan 8.280 nan 0.000 0.590 297 P HA 0.022 nan 4.420 nan 0.000 0.271 297 P C 0.648 178.062 177.300 0.189 0.000 1.218 297 P CA 0.377 63.498 63.100 0.035 0.000 0.780 297 P CB 0.753 32.318 31.700 -0.225 0.000 0.901 298 G N 2.383 111.273 108.800 0.151 0.000 2.505 298 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 298 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 298 G C 0.666 175.710 174.900 0.240 0.000 1.145 298 G CA 1.023 46.228 45.100 0.174 0.000 0.761 298 G HN 0.662 nan 8.290 nan 0.000 0.571 299 D N 0.368 120.935 120.400 0.279 0.000 2.587 299 D HA 0.135 4.775 4.640 -0.000 0.000 0.233 299 D C 1.672 178.213 176.300 0.402 0.000 1.213 299 D CA -0.401 53.807 54.000 0.347 0.000 0.827 299 D CB 0.265 41.275 40.800 0.349 0.000 1.006 299 D HN 0.126 nan 8.370 nan 0.000 0.490 300 V N 0.038 120.167 119.914 0.358 0.000 2.594 300 V HA -0.182 3.938 4.120 -0.000 0.000 0.253 300 V C 1.725 177.838 176.094 0.031 0.000 1.069 300 V CA 1.345 63.780 62.300 0.225 0.000 1.082 300 V CB -0.843 31.053 31.823 0.120 0.000 0.680 300 V HN 0.316 nan 8.190 nan 0.000 0.469 301 F N -0.141 119.819 119.950 0.016 0.000 2.146 301 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 301 F C 2.113 177.972 175.800 0.099 0.000 1.096 301 F CA 2.218 60.234 58.000 0.027 0.000 1.275 301 F CB -0.583 38.462 39.000 0.076 0.000 1.008 301 F HN 0.330 nan 8.300 nan 0.000 0.480 302 Y N 0.774 121.064 120.300 -0.016 0.000 2.224 302 Y HA -0.176 4.374 4.550 -0.000 0.000 0.289 302 Y C 2.173 177.973 175.900 -0.166 0.000 1.146 302 Y CA 1.521 59.556 58.100 -0.108 0.000 1.182 302 Y CB -0.909 37.596 38.460 0.075 0.000 0.983 302 Y HN 0.250 nan 8.280 nan 0.000 0.524 303 L N -0.180 120.918 121.223 -0.207 0.000 2.013 303 L HA -0.301 4.039 4.340 -0.000 0.000 0.212 303 L C 2.072 178.757 176.870 -0.308 0.000 1.073 303 L CA 2.505 57.148 54.840 -0.328 0.000 0.753 303 L CB -0.799 40.986 42.059 -0.458 0.000 0.890 303 L HN 0.359 nan 8.230 nan 0.000 0.432 304 H N -1.967 116.923 119.070 -0.299 0.000 2.497 304 H HA 0.029 4.585 4.556 -0.000 0.000 0.282 304 H C 2.323 177.400 175.328 -0.418 0.000 1.003 304 H CA 0.714 56.532 56.048 -0.384 0.000 1.307 304 H CB 0.126 29.678 29.762 -0.350 0.000 1.437 304 H HN 0.549 nan 8.280 nan 0.000 0.544 305 S N 1.333 116.790 115.700 -0.406 0.000 2.395 305 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 305 S C 2.051 176.523 174.600 -0.215 0.000 1.027 305 S CA 0.709 58.668 58.200 -0.402 0.000 0.965 305 S CB -0.073 62.700 63.200 -0.710 0.000 0.812 305 S HN 0.521 nan 8.310 nan 0.000 0.482 306 R N 0.435 120.776 120.500 -0.265 0.000 2.153 306 R HA 0.202 4.542 4.340 -0.000 0.000 0.218 306 R C 2.204 178.450 176.300 -0.090 0.000 1.072 306 R CA 0.790 56.772 56.100 -0.197 0.000 0.990 306 R CB -0.718 29.321 30.300 -0.436 0.000 0.889 306 R HN 0.392 nan 8.270 nan 0.000 0.452 307 L N 1.568 122.729 121.223 -0.104 0.000 1.961 307 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 307 L C 2.032 178.789 176.870 -0.189 0.000 1.072 307 L CA 1.748 56.469 54.840 -0.198 0.000 0.749 307 L CB -0.459 41.267 42.059 -0.556 0.000 0.889 307 L HN 0.237 nan 8.230 nan 0.000 0.432 308 L N -0.613 120.483 121.223 -0.212 0.000 2.313 308 L HA -0.051 4.289 4.340 -0.000 0.000 0.214 308 L C 2.383 179.220 176.870 -0.055 0.000 1.119 308 L CA 0.402 55.161 54.840 -0.136 0.000 0.809 308 L CB -0.619 41.346 42.059 -0.157 0.000 0.933 308 L HN 0.312 nan 8.230 nan 0.000 0.449 309 E N 0.521 120.691 120.200 -0.050 0.000 2.338 309 E HA -0.150 4.200 4.350 -0.000 0.000 0.197 309 E C 2.148 178.753 176.600 0.008 0.000 1.007 309 E CA 0.653 57.047 56.400 -0.010 0.000 0.849 309 E CB 0.049 29.750 29.700 0.003 0.000 0.774 309 E HN 0.492 nan 8.360 nan 0.000 0.506 310 R N 0.567 121.072 120.500 0.009 0.000 2.148 310 R HA 0.040 4.380 4.340 -0.000 0.000 0.223 310 R C 1.006 177.331 176.300 0.043 0.000 1.088 310 R CA 0.567 56.685 56.100 0.031 0.000 0.985 310 R CB -0.034 30.293 30.300 0.044 0.000 0.880 310 R HN -0.076 nan 8.270 nan 0.000 0.451 311 A N 1.287 124.134 122.820 0.045 0.000 2.444 311 A HA 0.538 4.858 4.320 -0.000 0.000 0.273 311 A C -0.201 177.405 177.584 0.037 0.000 1.136 311 A CA 0.193 52.261 52.037 0.052 0.000 0.799 311 A CB 0.179 19.215 19.000 0.060 0.000 1.081 311 A HN 0.332 nan 8.150 nan 0.000 0.509 312 A N 2.580 125.424 122.820 0.040 0.000 2.610 312 A HA 0.744 5.064 4.320 -0.000 0.000 0.291 312 A C -0.809 176.802 177.584 0.043 0.000 1.086 312 A CA -0.765 51.293 52.037 0.036 0.000 0.677 312 A CB 1.118 20.136 19.000 0.031 0.000 1.278 312 A HN 0.882 nan 8.150 nan 0.000 0.414 313 K N 1.353 121.780 120.400 0.045 0.000 2.425 313 K HA 0.676 4.996 4.320 -0.000 0.000 0.259 313 K C -1.245 175.385 176.600 0.050 0.000 0.978 313 K CA -0.250 56.073 56.287 0.059 0.000 0.883 313 K CB 0.337 32.880 32.500 0.070 0.000 1.110 313 K HN 0.599 nan 8.250 nan 0.000 0.436 314 L N 2.734 123.981 121.223 0.040 0.000 2.439 314 L HA 0.359 4.699 4.340 -0.000 0.000 0.261 314 L C 0.671 177.557 176.870 0.027 0.000 1.153 314 L CA -0.744 54.108 54.840 0.021 0.000 0.808 314 L CB 1.240 43.296 42.059 -0.004 0.000 1.126 314 L HN 0.854 nan 8.230 nan 0.000 0.460 315 S N -0.217 115.491 115.700 0.014 0.000 2.624 315 S HA 0.099 4.569 4.470 -0.000 0.000 0.263 315 S C 0.806 175.410 174.600 0.006 0.000 1.287 315 S CA -0.567 57.640 58.200 0.011 0.000 0.990 315 S CB 1.088 64.290 63.200 0.002 0.000 0.950 315 S HN 0.685 nan 8.310 nan 0.000 0.561 316 E N 0.753 120.956 120.200 0.005 0.000 2.070 316 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 316 E C 1.891 178.486 176.600 -0.009 0.000 1.004 316 E CA 1.441 57.842 56.400 0.001 0.000 0.805 316 E CB -0.208 29.491 29.700 -0.002 0.000 0.744 316 E HN 0.744 nan 8.360 nan 0.000 0.451 317 K N 0.499 120.892 120.400 -0.011 0.000 2.286 317 K HA -0.172 4.148 4.320 -0.000 0.000 0.203 317 K C 1.028 177.614 176.600 -0.023 0.000 1.045 317 K CA 1.045 57.322 56.287 -0.016 0.000 0.935 317 K CB 0.234 32.726 32.500 -0.013 0.000 0.737 317 K HN 0.003 nan 8.250 nan 0.000 0.460 318 E N -1.077 119.109 120.200 -0.025 0.000 2.501 318 E HA 0.088 4.438 4.350 -0.000 0.000 0.200 318 E C 0.658 177.226 176.600 -0.054 0.000 1.016 318 E CA 0.530 56.907 56.400 -0.038 0.000 0.921 318 E CB 1.192 30.873 29.700 -0.031 0.000 1.034 318 E HN 0.490 nan 8.360 nan 0.000 0.468 319 G N 1.317 110.090 108.800 -0.046 0.000 2.157 319 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.239 319 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.239 319 G C 0.611 175.478 174.900 -0.055 0.000 0.982 319 G CA 0.329 45.393 45.100 -0.059 0.000 0.650 319 G HN 0.135 nan 8.290 nan 0.000 0.527 320 S N -1.790 113.895 115.700 -0.026 0.000 3.270 320 S HA -0.178 4.292 4.470 -0.000 0.000 0.293 320 S C 1.722 176.305 174.600 -0.028 0.000 1.278 320 S CA 1.658 59.865 58.200 0.012 0.000 1.038 320 S CB -1.488 61.743 63.200 0.052 0.000 1.218 320 S HN 2.248 nan 8.310 nan 0.000 0.659 321 G N 1.207 109.940 108.800 -0.113 0.000 2.594 321 G HA2 0.497 4.457 3.960 -0.000 0.000 0.243 321 G HA3 0.497 4.457 3.960 -0.000 0.000 0.243 321 G C -0.048 174.812 174.900 -0.066 0.000 1.229 321 G CA 0.415 45.386 45.100 -0.215 0.000 0.843 321 G HN 1.163 nan 8.290 nan 0.000 0.578 322 S N -0.551 115.139 115.700 -0.017 0.000 2.588 322 S HA 0.684 5.154 4.470 -0.000 0.000 0.275 322 S C -1.385 173.283 174.600 0.113 0.000 1.130 322 S CA -0.866 57.407 58.200 0.122 0.000 0.855 322 S CB 2.084 65.434 63.200 0.250 0.000 1.116 322 S HN 1.020 nan 8.310 nan 0.000 0.472 323 L N 1.626 122.901 121.223 0.086 0.000 2.409 323 L HA 0.741 5.081 4.340 -0.000 0.000 0.272 323 L C -0.867 176.033 176.870 0.051 0.000 0.980 323 L CA 0.208 55.095 54.840 0.077 0.000 0.826 323 L CB 1.996 44.103 42.059 0.080 0.000 1.268 323 L HN 0.935 nan 8.230 nan 0.000 0.407 324 T N 4.159 118.730 114.554 0.029 0.000 2.823 324 T HA 0.848 5.198 4.350 -0.000 0.000 0.279 324 T C -0.521 174.177 174.700 -0.004 0.000 0.998 324 T CA -0.290 61.813 62.100 0.005 0.000 0.994 324 T CB 1.508 70.363 68.868 -0.021 0.000 0.960 324 T HN 0.792 nan 8.240 nan 0.000 0.448 325 A N 3.396 126.224 122.820 0.014 0.000 2.318 325 A HA 0.759 5.079 4.320 -0.000 0.000 0.324 325 A C -0.514 177.078 177.584 0.014 0.000 1.170 325 A CA -0.686 51.374 52.037 0.039 0.000 0.810 325 A CB 0.432 19.529 19.000 0.162 0.000 1.198 325 A HN 0.860 nan 8.150 nan 0.000 0.484 326 L N 4.794 126.005 121.223 -0.019 0.000 2.435 326 L HA 0.321 4.661 4.340 -0.000 0.000 0.253 326 L C -2.293 174.588 176.870 0.018 0.000 1.087 326 L CA -1.781 53.048 54.840 -0.018 0.000 0.950 326 L CB 1.360 43.398 42.059 -0.036 0.000 1.304 326 L HN 0.486 nan 8.230 nan 0.000 0.453 327 P HA 0.117 nan 4.420 nan 0.000 0.275 327 P C -0.454 176.818 177.300 -0.046 0.000 1.227 327 P CA -0.085 63.047 63.100 0.053 0.000 0.781 327 P CB 1.916 33.570 31.700 -0.077 0.000 0.906 328 V N 4.817 124.698 119.914 -0.055 0.000 2.513 328 V HA 0.407 4.527 4.120 -0.000 0.000 0.299 328 V C 0.377 176.414 176.094 -0.094 0.000 1.035 328 V CA -0.574 61.686 62.300 -0.068 0.000 0.889 328 V CB 1.695 33.495 31.823 -0.038 0.000 0.988 328 V HN 0.424 nan 8.190 nan 0.000 0.440 329 I N 3.393 123.910 120.570 -0.088 0.000 2.499 329 I HA 0.391 4.561 4.170 -0.000 0.000 0.288 329 I C -0.044 176.053 176.117 -0.033 0.000 1.048 329 I CA -0.391 60.863 61.300 -0.077 0.000 1.062 329 I CB 2.028 39.967 38.000 -0.101 0.000 1.238 329 I HN 0.758 nan 8.210 nan 0.000 0.426 330 E N 5.135 125.330 120.200 -0.009 0.000 2.167 330 E HA 0.331 4.681 4.350 -0.000 0.000 0.284 330 E C -0.283 176.337 176.600 0.032 0.000 1.016 330 E CA -0.340 56.069 56.400 0.014 0.000 0.817 330 E CB 0.990 30.704 29.700 0.023 0.000 1.080 330 E HN 0.692 nan 8.360 nan 0.000 0.397 331 T N 1.966 116.545 114.554 0.043 0.000 2.881 331 T HA 0.304 4.654 4.350 -0.000 0.000 0.278 331 T C -0.043 174.692 174.700 0.058 0.000 0.982 331 T CA -0.994 61.141 62.100 0.059 0.000 0.989 331 T CB 1.359 70.274 68.868 0.078 0.000 1.058 331 T HN 0.334 nan 8.240 nan 0.000 0.529 332 Q N 0.313 120.151 119.800 0.064 0.000 2.341 332 Q HA 0.475 4.815 4.340 -0.000 0.000 0.268 332 Q C 0.848 176.880 176.000 0.054 0.000 1.013 332 Q CA -0.046 55.792 55.803 0.058 0.000 0.798 332 Q CB 1.245 30.022 28.738 0.065 0.000 1.253 332 Q HN 1.305 nan 8.270 nan 0.000 0.457 333 G N 1.773 110.602 108.800 0.048 0.000 2.249 333 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.273 333 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.273 333 G C 0.788 175.714 174.900 0.044 0.000 1.036 333 G CA 0.801 45.928 45.100 0.044 0.000 0.824 333 G HN 1.295 nan 8.290 nan 0.000 0.504 334 G N -0.826 108.004 108.800 0.051 0.000 2.153 334 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.252 334 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.252 334 G C 0.219 175.150 174.900 0.052 0.000 0.994 334 G CA 0.980 46.111 45.100 0.052 0.000 0.698 334 G HN 1.446 nan 8.290 nan 0.000 0.521 335 D N 0.616 121.051 120.400 0.059 0.000 2.517 335 D HA 0.391 5.031 4.640 -0.000 0.000 0.220 335 D C 1.828 178.175 176.300 0.080 0.000 1.158 335 D CA 0.267 54.303 54.000 0.060 0.000 0.992 335 D CB 0.326 41.162 40.800 0.059 0.000 1.058 335 D HN 0.587 nan 8.370 nan 0.000 0.516 336 V N 0.650 120.616 119.914 0.088 0.000 3.510 336 V HA 0.048 4.168 4.120 -0.000 0.000 0.270 336 V C 1.304 177.466 176.094 0.114 0.000 1.201 336 V CA 0.607 62.988 62.300 0.135 0.000 1.166 336 V CB -0.193 31.747 31.823 0.194 0.000 0.825 336 V HN 0.271 nan 8.190 nan 0.000 0.484 337 S N 0.658 116.408 115.700 0.084 0.000 2.577 337 S HA 0.618 5.088 4.470 -0.000 0.000 0.219 337 S C 1.125 175.781 174.600 0.093 0.000 0.962 337 S CA 0.307 58.555 58.200 0.080 0.000 0.921 337 S CB 0.033 63.267 63.200 0.057 0.000 0.789 337 S HN 0.880 nan 8.310 nan 0.000 0.497 338 A N 0.561 123.442 122.820 0.102 0.000 2.296 338 A HA 0.431 4.751 4.320 -0.000 0.000 0.264 338 A C 0.897 178.583 177.584 0.170 0.000 1.097 338 A CA -0.255 51.858 52.037 0.127 0.000 0.811 338 A CB -0.118 18.953 19.000 0.117 0.000 1.072 338 A HN 0.315 nan 8.150 nan 0.000 0.495 339 Y N 0.567 120.883 120.300 0.026 0.000 2.070 339 Y HA -0.212 4.338 4.550 -0.000 0.000 0.280 339 Y C 1.881 177.774 175.900 -0.011 0.000 1.148 339 Y CA 2.192 60.295 58.100 0.005 0.000 1.125 339 Y CB -0.249 38.204 38.460 -0.012 0.000 0.975 339 Y HN 0.453 nan 8.280 nan 0.000 0.492 340 I N 0.520 120.989 120.570 -0.167 0.000 2.286 340 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 340 I C -0.417 175.639 176.117 -0.101 0.000 1.104 340 I CA 1.024 62.152 61.300 -0.287 0.000 1.397 340 I CB -2.815 35.014 38.000 -0.284 0.000 1.072 340 I HN 0.163 nan 8.210 nan 0.000 0.417 341 P HA -0.125 nan 4.420 nan 0.000 0.215 341 P C 1.783 179.102 177.300 0.032 0.000 1.157 341 P CA 1.893 64.996 63.100 0.004 0.000 0.874 341 P CB -0.213 31.518 31.700 0.051 0.000 0.790 342 T N -0.897 113.698 114.554 0.067 0.000 2.788 342 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 342 T C 1.630 176.391 174.700 0.103 0.000 1.044 342 T CA 1.382 63.539 62.100 0.094 0.000 1.139 342 T CB -0.939 68.001 68.868 0.121 0.000 0.867 342 T HN 0.097 nan 8.240 nan 0.000 0.454 343 N N 1.041 119.797 118.700 0.093 0.000 2.025 343 N HA -0.089 4.651 4.740 -0.000 0.000 0.194 343 N C 1.999 177.613 175.510 0.173 0.000 1.044 343 N CA 1.059 54.227 53.050 0.197 0.000 0.851 343 N CB -0.876 37.691 38.487 0.132 0.000 1.036 343 N HN 0.231 nan 8.380 nan 0.000 0.422 344 V N 1.558 121.494 119.914 0.036 0.000 2.358 344 V HA -0.131 3.989 4.120 -0.000 0.000 0.246 344 V C 2.269 178.350 176.094 -0.021 0.000 1.047 344 V CA 1.025 63.296 62.300 -0.049 0.000 1.035 344 V CB -0.486 31.234 31.823 -0.173 0.000 0.658 344 V HN 0.238 nan 8.190 nan 0.000 0.452 345 I N 1.542 122.113 120.570 0.001 0.000 2.248 345 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 345 I C 2.550 178.696 176.117 0.048 0.000 1.107 345 I CA 2.064 63.371 61.300 0.013 0.000 1.373 345 I CB -0.420 37.612 38.000 0.053 0.000 1.055 345 I HN 0.514 nan 8.210 nan 0.000 0.418 346 S N 0.109 115.866 115.700 0.094 0.000 2.522 346 S HA 0.060 4.530 4.470 -0.000 0.000 0.227 346 S C 1.759 176.442 174.600 0.139 0.000 0.986 346 S CA 0.277 58.552 58.200 0.126 0.000 0.929 346 S CB -0.388 62.909 63.200 0.162 0.000 0.769 346 S HN 0.422 nan 8.310 nan 0.000 0.529 347 I N 2.241 122.872 120.570 0.102 0.000 2.296 347 I HA -0.008 4.162 4.170 -0.000 0.000 0.242 347 I C 1.779 177.903 176.117 0.012 0.000 1.087 347 I CA 0.883 62.211 61.300 0.047 0.000 1.393 347 I CB -0.849 37.119 38.000 -0.053 0.000 1.093 347 I HN 0.386 nan 8.210 nan 0.000 0.421 348 T N -1.418 113.128 114.554 -0.014 0.000 2.701 348 T HA 0.021 4.371 4.350 -0.000 0.000 0.303 348 T C 0.404 175.101 174.700 -0.005 0.000 1.030 348 T CA -0.354 61.732 62.100 -0.025 0.000 1.010 348 T CB 0.532 69.369 68.868 -0.053 0.000 1.007 348 T HN 0.115 nan 8.240 nan 0.000 0.532 349 D N 0.361 120.756 120.400 -0.008 0.000 2.395 349 D HA 0.388 5.028 4.640 -0.000 0.000 0.226 349 D C 0.834 177.133 176.300 -0.003 0.000 1.146 349 D CA 0.202 54.203 54.000 0.002 0.000 0.830 349 D CB -0.140 40.662 40.800 0.003 0.000 0.958 349 D HN 0.970 nan 8.370 nan 0.000 0.501 350 G N 0.689 109.479 108.800 -0.016 0.000 2.337 350 G HA2 0.210 4.170 3.960 -0.000 0.000 0.310 350 G HA3 0.210 4.170 3.960 -0.000 0.000 0.310 350 G C -1.850 173.003 174.900 -0.078 0.000 1.534 350 G CA -1.015 44.070 45.100 -0.025 0.000 0.982 350 G HN -0.010 nan 8.290 nan 0.000 0.672 351 Q N -0.439 119.291 119.800 -0.118 0.000 2.359 351 Q HA 0.743 5.083 4.340 -0.000 0.000 0.274 351 Q C -0.416 175.428 176.000 -0.260 0.000 1.074 351 Q CA -0.600 55.035 55.803 -0.279 0.000 0.810 351 Q CB 2.528 30.923 28.738 -0.571 0.000 1.342 351 Q HN 0.662 nan 8.270 nan 0.000 0.427 352 I N 2.082 122.502 120.570 -0.250 0.000 2.331 352 I HA 0.400 4.570 4.170 -0.000 0.000 0.292 352 I C -0.857 175.123 176.117 -0.228 0.000 0.998 352 I CA -0.463 60.753 61.300 -0.139 0.000 1.267 352 I CB 0.582 38.544 38.000 -0.063 0.000 1.386 352 I HN 0.453 nan 8.210 nan 0.000 0.476 353 F N 6.595 126.552 119.950 0.011 0.000 2.444 353 F HA 0.563 5.090 4.527 0.000 0.000 0.342 353 F C -0.254 175.555 175.800 0.015 0.000 1.121 353 F CA -0.477 57.531 58.000 0.012 0.000 0.997 353 F CB 1.300 40.309 39.000 0.015 0.000 1.130 353 F HN 0.126 nan 8.300 nan 0.000 0.454 354 L N 3.752 125.100 121.223 0.208 0.000 2.346 354 L HA 0.600 4.940 4.340 -0.000 0.000 0.276 354 L C -0.831 176.106 176.870 0.112 0.000 1.006 354 L CA -0.659 54.256 54.840 0.126 0.000 0.817 354 L CB 2.131 44.229 42.059 0.065 0.000 1.272 354 L HN 0.549 nan 8.230 nan 0.000 0.421 355 E N 0.919 121.173 120.200 0.090 0.000 2.292 355 E HA 0.406 4.756 4.350 -0.000 0.000 0.272 355 E C 0.096 176.734 176.600 0.063 0.000 0.881 355 E CA -0.584 55.859 56.400 0.071 0.000 0.754 355 E CB 2.390 32.131 29.700 0.068 0.000 1.201 355 E HN 0.690 nan 8.360 nan 0.000 0.425 356 A N 2.599 125.445 122.820 0.044 0.000 1.892 356 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 356 A C 1.956 179.632 177.584 0.152 0.000 1.188 356 A CA 2.220 54.281 52.037 0.040 0.000 0.631 356 A CB -0.410 18.670 19.000 0.134 0.000 0.822 356 A HN 0.830 nan 8.150 nan 0.000 0.447 357 E N -0.271 120.032 120.200 0.172 0.000 2.085 357 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 357 E C 1.957 178.652 176.600 0.157 0.000 0.994 357 E CA 1.328 57.841 56.400 0.188 0.000 0.801 357 E CB -0.225 29.544 29.700 0.115 0.000 0.743 357 E HN 0.652 nan 8.360 nan 0.000 0.453 358 L N -0.083 121.207 121.223 0.111 0.000 2.056 358 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 358 L C 2.442 179.352 176.870 0.066 0.000 1.078 358 L CA 0.947 55.837 54.840 0.083 0.000 0.749 358 L CB -0.495 41.607 42.059 0.071 0.000 0.901 358 L HN 0.208 nan 8.230 nan 0.000 0.433 359 F N 0.213 120.097 119.950 -0.109 0.000 2.043 359 F HA -0.339 4.188 4.527 -0.000 0.000 0.297 359 F C 2.290 177.967 175.800 -0.205 0.000 1.118 359 F CA 1.840 59.703 58.000 -0.229 0.000 1.202 359 F CB -0.362 38.380 39.000 -0.430 0.000 0.965 359 F HN -0.024 nan 8.300 nan 0.000 0.482 360 Y N 0.012 120.447 120.300 0.224 0.000 2.574 360 Y HA -0.060 4.490 4.550 0.000 0.000 0.294 360 Y C 2.198 178.115 175.900 0.027 0.000 1.142 360 Y CA 0.885 59.059 58.100 0.124 0.000 1.314 360 Y CB -0.702 37.845 38.460 0.146 0.000 0.991 360 Y HN 0.089 nan 8.280 nan 0.000 0.555 361 K N -1.123 119.353 120.400 0.126 0.000 2.361 361 K HA 0.147 4.467 4.320 -0.000 0.000 0.196 361 K C 1.311 177.918 176.600 0.012 0.000 1.039 361 K CA 0.791 57.121 56.287 0.073 0.000 1.001 361 K CB 0.131 32.670 32.500 0.065 0.000 0.795 361 K HN 0.405 nan 8.250 nan 0.000 0.495 362 G N 0.833 109.599 108.800 -0.056 0.000 2.229 362 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.189 362 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.189 362 G C 0.061 174.886 174.900 -0.124 0.000 1.000 362 G CA -0.459 44.579 45.100 -0.103 0.000 0.663 362 G HN 0.108 nan 8.290 nan 0.000 0.493 363 I N 1.726 122.240 120.570 -0.094 0.000 2.347 363 I HA 0.438 4.608 4.170 -0.000 0.000 0.294 363 I C 0.474 176.523 176.117 -0.113 0.000 1.090 363 I CA 0.299 61.559 61.300 -0.066 0.000 1.314 363 I CB 0.208 38.205 38.000 -0.006 0.000 1.423 363 I HN 0.110 nan 8.210 nan 0.000 0.503 364 R N 7.300 127.728 120.500 -0.120 0.000 2.515 364 R HA 0.391 4.731 4.340 -0.000 0.000 0.291 364 R C -2.688 173.580 176.300 -0.052 0.000 1.046 364 R CA -1.573 54.453 56.100 -0.123 0.000 0.914 364 R CB 2.613 32.748 30.300 -0.275 0.000 1.191 364 R HN 0.344 nan 8.270 nan 0.000 0.435 365 P HA 0.013 nan 4.420 nan 0.000 0.269 365 P C -0.418 176.911 177.300 0.049 0.000 1.209 365 P CA -0.213 62.906 63.100 0.031 0.000 0.776 365 P CB 0.881 32.597 31.700 0.026 0.000 0.876 366 A N 4.298 127.182 122.820 0.106 0.000 3.029 366 A HA 0.201 4.521 4.320 -0.000 0.000 0.251 366 A C 0.656 178.296 177.584 0.093 0.000 1.749 366 A CA -0.337 51.765 52.037 0.108 0.000 1.386 366 A CB -1.570 17.546 19.000 0.193 0.000 1.043 366 A HN 0.461 nan 8.150 nan 0.000 0.638 367 I N 1.372 121.988 120.570 0.076 0.000 2.352 367 I HA 0.042 4.212 4.170 -0.000 0.000 0.290 367 I C 0.560 176.732 176.117 0.093 0.000 1.036 367 I CA -0.413 60.941 61.300 0.090 0.000 1.336 367 I CB 0.690 38.733 38.000 0.071 0.000 1.407 367 I HN 0.394 nan 8.210 nan 0.000 0.497 368 N N 6.594 125.368 118.700 0.122 0.000 2.402 368 N HA 0.041 4.781 4.740 -0.000 0.000 0.259 368 N C 0.838 176.408 175.510 0.100 0.000 1.167 368 N CA 0.027 53.130 53.050 0.088 0.000 0.949 368 N CB 1.220 39.738 38.487 0.051 0.000 1.212 368 N HN 0.426 nan 8.380 nan 0.000 0.493 369 V N 3.778 123.735 119.914 0.073 0.000 2.343 369 V HA -0.162 3.958 4.120 -0.000 0.000 0.247 369 V C 2.467 178.601 176.094 0.067 0.000 1.051 369 V CA 2.135 64.479 62.300 0.073 0.000 1.036 369 V CB -1.028 30.831 31.823 0.060 0.000 0.654 369 V HN 0.712 nan 8.190 nan 0.000 0.451 370 G N 0.025 108.847 108.800 0.037 0.000 2.469 370 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 370 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 370 G C 1.460 176.370 174.900 0.017 0.000 1.150 370 G CA 1.047 46.157 45.100 0.017 0.000 0.763 370 G HN 0.522 nan 8.290 nan 0.000 0.561 371 L N 0.540 121.765 121.223 0.002 0.000 2.607 371 L HA 0.251 4.591 4.340 -0.000 0.000 0.228 371 L C 0.514 177.598 176.870 0.356 0.000 1.123 371 L CA -0.205 54.629 54.840 -0.010 0.000 0.890 371 L CB 0.496 42.235 42.059 -0.534 0.000 1.103 371 L HN -0.019 nan 8.230 nan 0.000 0.468 372 S N 0.894 116.777 115.700 0.306 0.000 2.457 372 S HA 0.521 4.991 4.470 -0.000 0.000 0.289 372 S C -0.222 174.465 174.600 0.145 0.000 1.163 372 S CA -0.527 57.838 58.200 0.275 0.000 1.078 372 S CB 1.698 65.017 63.200 0.198 0.000 0.987 372 S HN 0.086 nan 8.310 nan 0.000 0.482 373 V N 0.959 120.937 119.914 0.107 0.000 2.876 373 V HA 0.877 4.997 4.120 -0.000 0.000 0.312 373 V C -0.376 175.739 176.094 0.035 0.000 1.085 373 V CA -0.769 61.572 62.300 0.069 0.000 0.945 373 V CB 1.992 33.859 31.823 0.075 0.000 1.017 373 V HN 0.645 nan 8.190 nan 0.000 0.428 374 S N 2.511 118.228 115.700 0.029 0.000 2.566 374 S HA 0.498 4.968 4.470 -0.000 0.000 0.324 374 S C 0.773 175.384 174.600 0.019 0.000 1.081 374 S CA -0.731 57.478 58.200 0.015 0.000 1.105 374 S CB 1.205 64.411 63.200 0.010 0.000 0.981 374 S HN 0.845 nan 8.310 nan 0.000 0.464 375 R N 2.974 123.484 120.500 0.016 0.000 2.189 375 R HA -0.004 4.336 4.340 -0.000 0.000 0.218 375 R C 1.532 177.843 176.300 0.018 0.000 1.074 375 R CA 0.962 57.074 56.100 0.020 0.000 0.991 375 R CB -0.215 30.098 30.300 0.021 0.000 0.883 375 R HN 0.538 nan 8.270 nan 0.000 0.457 376 V N 0.120 120.042 119.914 0.013 0.000 2.488 376 V HA 0.006 4.126 4.120 -0.000 0.000 0.246 376 V C 1.591 177.693 176.094 0.014 0.000 1.046 376 V CA 1.359 63.667 62.300 0.013 0.000 1.053 376 V CB -0.652 31.174 31.823 0.006 0.000 0.679 376 V HN 0.678 nan 8.190 nan 0.000 0.458 377 G N 0.975 109.782 108.800 0.013 0.000 2.547 377 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.271 377 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.271 377 G C 1.114 176.021 174.900 0.013 0.000 1.209 377 G CA 1.093 46.202 45.100 0.016 0.000 0.959 377 G HN 0.968 nan 8.290 nan 0.000 0.563 378 S N 0.368 116.078 115.700 0.017 0.000 2.481 378 S HA 0.279 4.749 4.470 -0.000 0.000 0.231 378 S C 2.617 177.225 174.600 0.014 0.000 0.996 378 S CA 1.691 59.901 58.200 0.016 0.000 0.942 378 S CB -0.391 62.821 63.200 0.020 0.000 0.768 378 S HN 2.131 nan 8.310 nan 0.000 0.520 379 A N 1.580 124.410 122.820 0.018 0.000 1.986 379 A HA 0.300 4.620 4.320 -0.000 0.000 0.220 379 A C 1.929 179.526 177.584 0.022 0.000 1.171 379 A CA 1.481 53.534 52.037 0.027 0.000 0.640 379 A CB -0.903 18.117 19.000 0.033 0.000 0.811 379 A HN 1.137 nan 8.150 nan 0.000 0.451 380 A N -1.151 121.668 122.820 -0.002 0.000 2.911 380 A HA 0.518 4.838 4.320 -0.000 0.000 0.304 380 A C 0.126 177.682 177.584 -0.046 0.000 1.144 380 A CA -0.202 51.813 52.037 -0.038 0.000 0.988 380 A CB -0.086 18.885 19.000 -0.049 0.000 1.141 380 A HN 0.515 nan 8.150 nan 0.000 0.552 381 Q N 0.253 120.037 119.800 -0.028 0.000 2.394 381 Q HA 0.537 4.877 4.340 -0.000 0.000 0.273 381 Q C -1.195 174.793 176.000 -0.019 0.000 1.089 381 Q CA -0.626 55.164 55.803 -0.021 0.000 0.812 381 Q CB 2.420 31.157 28.738 -0.001 0.000 1.353 381 Q HN 0.148 nan 8.270 nan 0.000 0.438 382 V N 5.161 125.065 119.914 -0.016 0.000 2.509 382 V HA -0.093 4.027 4.120 -0.000 0.000 0.297 382 V C 1.182 177.279 176.094 0.004 0.000 1.014 382 V CA 0.391 62.686 62.300 -0.008 0.000 1.127 382 V CB 0.458 32.283 31.823 0.004 0.000 0.925 382 V HN 0.791 nan 8.190 nan 0.000 0.480 383 K N 4.322 124.725 120.400 0.004 0.000 2.362 383 K HA -0.161 4.159 4.320 -0.000 0.000 0.202 383 K C 1.747 178.356 176.600 0.015 0.000 1.045 383 K CA 1.470 57.764 56.287 0.011 0.000 0.936 383 K CB -0.336 32.169 32.500 0.009 0.000 0.747 383 K HN 0.811 nan 8.250 nan 0.000 0.467 384 A N 0.113 122.942 122.820 0.014 0.000 2.275 384 A HA 0.042 4.362 4.320 -0.000 0.000 0.212 384 A C 1.783 179.385 177.584 0.030 0.000 1.201 384 A CA 0.221 52.267 52.037 0.016 0.000 0.843 384 A CB 0.042 19.045 19.000 0.005 0.000 0.873 384 A HN 0.148 nan 8.150 nan 0.000 0.492 385 L N -1.177 120.064 121.223 0.032 0.000 2.575 385 L HA 0.295 4.635 4.340 -0.000 0.000 0.228 385 L C 1.803 178.699 176.870 0.044 0.000 1.075 385 L CA 1.223 56.089 54.840 0.043 0.000 0.867 385 L CB -0.344 41.738 42.059 0.037 0.000 1.097 385 L HN 0.325 nan 8.230 nan 0.000 0.485 386 K N -0.649 119.772 120.400 0.034 0.000 2.147 386 K HA -0.183 4.137 4.320 -0.000 0.000 0.205 386 K C 1.787 178.411 176.600 0.041 0.000 1.049 386 K CA 1.573 57.880 56.287 0.034 0.000 0.936 386 K CB 0.172 32.688 32.500 0.026 0.000 0.722 386 K HN 0.494 nan 8.250 nan 0.000 0.446 387 Q N -0.072 119.756 119.800 0.047 0.000 2.020 387 Q HA -0.114 4.226 4.340 -0.000 0.000 0.198 387 Q C 2.213 178.264 176.000 0.085 0.000 0.974 387 Q CA 1.725 57.563 55.803 0.059 0.000 0.829 387 Q CB -0.007 28.765 28.738 0.055 0.000 0.894 387 Q HN 0.306 nan 8.270 nan 0.000 0.433 388 V N -1.792 118.186 119.914 0.106 0.000 2.453 388 V HA 0.082 4.202 4.120 -0.000 0.000 0.247 388 V C 1.692 177.843 176.094 0.095 0.000 1.048 388 V CA 1.354 63.745 62.300 0.152 0.000 1.049 388 V CB -0.902 31.046 31.823 0.207 0.000 0.672 388 V HN 0.207 nan 8.190 nan 0.000 0.457 389 A N 1.114 123.980 122.820 0.076 0.000 2.543 389 A HA 0.522 4.842 4.320 -0.000 0.000 0.258 389 A C 1.929 179.543 177.584 0.050 0.000 1.391 389 A CA 0.610 52.684 52.037 0.061 0.000 1.066 389 A CB -1.420 17.616 19.000 0.060 0.000 0.972 389 A HN 0.671 nan 8.150 nan 0.000 0.560 390 G N 0.418 109.242 108.800 0.040 0.000 2.812 390 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 390 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 390 G C 1.013 175.931 174.900 0.030 0.000 1.287 390 G CA 1.355 46.473 45.100 0.029 0.000 0.796 390 G HN 0.563 nan 8.290 nan 0.000 0.649 391 S N 0.158 115.873 115.700 0.024 0.000 2.383 391 S HA 0.323 4.793 4.470 -0.000 0.000 0.227 391 S C 1.015 175.672 174.600 0.095 0.000 1.261 391 S CA -0.568 57.661 58.200 0.049 0.000 1.262 391 S CB 0.976 64.198 63.200 0.036 0.000 0.992 391 S HN 0.316 nan 8.310 nan 0.000 0.491 392 L N 2.081 123.359 121.223 0.092 0.000 2.109 392 L HA 0.203 4.543 4.340 -0.000 0.000 0.207 392 L C 2.137 179.092 176.870 0.142 0.000 1.086 392 L CA 1.866 56.785 54.840 0.132 0.000 0.760 392 L CB -0.191 41.924 42.059 0.093 0.000 0.910 392 L HN 0.254 nan 8.230 nan 0.000 0.437 393 K N -0.878 119.584 120.400 0.103 0.000 2.103 393 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 393 K C 2.154 178.811 176.600 0.094 0.000 1.052 393 K CA 1.045 57.384 56.287 0.087 0.000 0.945 393 K CB -0.080 32.461 32.500 0.068 0.000 0.722 393 K HN 0.340 nan 8.250 nan 0.000 0.443 394 L N 0.352 121.640 121.223 0.109 0.000 2.141 394 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 394 L C 2.193 179.167 176.870 0.173 0.000 1.094 394 L CA 0.818 55.727 54.840 0.116 0.000 0.763 394 L CB -0.217 41.903 42.059 0.103 0.000 0.908 394 L HN 0.198 nan 8.230 nan 0.000 0.437 395 F N 0.019 119.986 119.950 0.030 0.000 2.206 395 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 395 F C 1.976 177.816 175.800 0.067 0.000 1.090 395 F CA 1.294 59.314 58.000 0.033 0.000 1.323 395 F CB -0.139 38.865 39.000 0.006 0.000 1.028 395 F HN -0.098 nan 8.300 nan 0.000 0.492 396 L N -0.392 120.799 121.223 -0.055 0.000 2.291 396 L HA -0.032 4.308 4.340 -0.000 0.000 0.214 396 L C 2.636 179.507 176.870 0.001 0.000 1.120 396 L CA 0.842 55.637 54.840 -0.075 0.000 0.799 396 L CB -0.932 41.130 42.059 0.005 0.000 0.925 396 L HN 0.165 nan 8.230 nan 0.000 0.446 397 A N -0.444 122.385 122.820 0.015 0.000 1.933 397 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 397 A C 2.157 179.739 177.584 -0.003 0.000 1.175 397 A CA 1.348 53.395 52.037 0.016 0.000 0.628 397 A CB -0.294 18.726 19.000 0.034 0.000 0.814 397 A HN 0.475 nan 8.150 nan 0.000 0.444 398 Q N -2.572 117.224 119.800 -0.007 0.000 2.403 398 Q HA 0.022 4.362 4.340 -0.000 0.000 0.203 398 Q C 1.381 177.351 176.000 -0.050 0.000 0.932 398 Q CA 0.481 56.278 55.803 -0.010 0.000 0.945 398 Q CB 0.017 28.790 28.738 0.059 0.000 1.045 398 Q HN 0.866 nan 8.270 nan 0.000 0.511 399 Y N 0.299 120.450 120.300 -0.249 0.000 2.436 399 Y HA 0.088 4.638 4.550 -0.000 0.000 0.288 399 Y C 1.768 177.590 175.900 -0.130 0.000 1.112 399 Y CA 0.718 58.663 58.100 -0.257 0.000 1.220 399 Y CB 0.319 38.538 38.460 -0.403 0.000 1.073 399 Y HN -0.161 nan 8.280 nan 0.000 0.552 400 R N 0.207 120.567 120.500 -0.233 0.000 2.092 400 R HA -0.166 4.174 4.340 -0.000 0.000 0.231 400 R C 2.059 178.252 176.300 -0.179 0.000 1.119 400 R CA 1.545 57.499 56.100 -0.242 0.000 0.970 400 R CB -0.198 30.036 30.300 -0.110 0.000 0.864 400 R HN 0.321 nan 8.270 nan 0.000 0.440 401 E N 0.527 120.660 120.200 -0.112 0.000 2.023 401 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 401 E C 1.798 178.367 176.600 -0.051 0.000 1.003 401 E CA 1.689 58.051 56.400 -0.063 0.000 0.809 401 E CB -0.091 29.584 29.700 -0.041 0.000 0.755 401 E HN 0.037 nan 8.360 nan 0.000 0.449 402 V N 0.778 120.649 119.914 -0.072 0.000 2.515 402 V HA -0.208 3.912 4.120 -0.000 0.000 0.250 402 V C 2.309 178.373 176.094 -0.050 0.000 1.058 402 V CA 1.695 63.985 62.300 -0.017 0.000 1.064 402 V CB -0.833 30.993 31.823 0.006 0.000 0.675 402 V HN 0.472 nan 8.190 nan 0.000 0.461 403 A N 0.013 122.686 122.820 -0.245 0.000 1.969 403 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 403 A C 2.346 179.849 177.584 -0.135 0.000 1.169 403 A CA 1.618 53.491 52.037 -0.274 0.000 0.635 403 A CB -0.531 18.149 19.000 -0.532 0.000 0.810 403 A HN 0.550 nan 8.150 nan 0.000 0.445 404 A N -1.653 121.114 122.820 -0.089 0.000 2.066 404 A HA 0.102 4.422 4.320 -0.000 0.000 0.218 404 A C 1.845 179.455 177.584 0.043 0.000 1.157 404 A CA 1.264 53.282 52.037 -0.031 0.000 0.670 404 A CB -0.554 18.432 19.000 -0.023 0.000 0.804 404 A HN 0.632 nan 8.150 nan 0.000 0.453 405 F N 0.773 120.677 119.950 -0.077 0.000 2.270 405 F HA 0.339 4.866 4.527 0.000 0.000 0.295 405 F C 1.660 177.433 175.800 -0.046 0.000 1.087 405 F CA 0.401 58.369 58.000 -0.053 0.000 1.365 405 F CB -0.241 38.732 39.000 -0.044 0.000 1.056 405 F HN 0.137 nan 8.300 nan 0.000 0.506 406 A N 2.683 125.395 122.820 -0.181 0.000 3.052 406 A HA 0.260 4.580 4.320 -0.000 0.000 0.266 406 A C -0.076 177.378 177.584 -0.217 0.000 1.855 406 A CA -0.193 51.692 52.037 -0.254 0.000 1.473 406 A CB -0.943 17.997 19.000 -0.100 0.000 1.038 406 A HN 0.419 nan 8.150 nan 0.000 0.619 412 L N -0.987 120.282 121.223 0.077 0.000 2.183 412 L HA 0.759 5.099 4.340 -0.000 0.000 0.253 412 L C -0.196 176.721 176.870 0.078 0.000 1.048 412 L CA -1.186 53.724 54.840 0.117 0.000 0.890 412 L CB 1.091 43.216 42.059 0.109 0.000 1.476 412 L HN 0.628 nan 8.230 nan 0.000 0.455 413 D N -0.662 119.780 120.400 0.070 0.000 2.560 413 D HA 0.507 5.147 4.640 -0.000 0.000 0.277 413 D C 0.591 176.913 176.300 0.036 0.000 1.194 413 D CA -0.267 53.759 54.000 0.043 0.000 1.092 413 D CB 0.855 41.673 40.800 0.031 0.000 1.169 413 D HN 0.529 nan 8.370 nan 0.000 0.607 414 A N -0.836 121.999 122.820 0.025 0.000 2.178 414 A HA 0.085 4.405 4.320 -0.000 0.000 0.211 414 A C 1.744 179.343 177.584 0.024 0.000 1.157 414 A CA 0.548 52.597 52.037 0.020 0.000 0.780 414 A CB -0.511 18.496 19.000 0.011 0.000 0.828 414 A HN 0.344 nan 8.150 nan 0.000 0.476 415 S N -0.784 114.932 115.700 0.028 0.000 2.502 415 S HA -0.050 4.420 4.470 -0.000 0.000 0.228 415 S C 2.063 176.696 174.600 0.055 0.000 1.061 415 S CA 1.127 59.347 58.200 0.033 0.000 0.935 415 S CB -0.141 63.072 63.200 0.022 0.000 0.809 415 S HN 0.808 nan 8.310 nan 0.000 0.510 416 T N 0.739 115.326 114.554 0.055 0.000 2.985 416 T HA 0.118 4.468 4.350 -0.000 0.000 0.266 416 T C 1.595 176.349 174.700 0.090 0.000 1.076 416 T CA 0.794 62.938 62.100 0.074 0.000 1.135 416 T CB -0.139 68.769 68.868 0.068 0.000 0.890 416 T HN 0.215 nan 8.240 nan 0.000 0.480 417 K N 0.846 121.290 120.400 0.074 0.000 2.155 417 K HA -0.135 4.185 4.320 -0.000 0.000 0.203 417 K C 2.525 179.165 176.600 0.067 0.000 1.052 417 K CA 1.224 57.551 56.287 0.068 0.000 0.948 417 K CB -0.090 32.439 32.500 0.048 0.000 0.728 417 K HN 0.408 nan 8.250 nan 0.000 0.448 418 Q N 0.622 120.460 119.800 0.064 0.000 2.016 418 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 418 Q C 1.669 177.738 176.000 0.115 0.000 0.978 418 Q CA 2.813 58.653 55.803 0.062 0.000 0.833 418 Q CB -0.634 28.129 28.738 0.040 0.000 0.895 418 Q HN 0.338 nan 8.270 nan 0.000 0.427 419 T N -1.440 113.215 114.554 0.168 0.000 3.055 419 T HA -0.003 4.347 4.350 -0.000 0.000 0.265 419 T C 1.634 176.456 174.700 0.204 0.000 1.111 419 T CA 0.747 63.028 62.100 0.302 0.000 1.118 419 T CB -0.167 68.911 68.868 0.350 0.000 0.909 419 T HN 0.239 nan 8.240 nan 0.000 0.501 420 L N 0.927 122.256 121.223 0.177 0.000 2.179 420 L HA 0.188 4.528 4.340 -0.000 0.000 0.208 420 L C 2.495 179.441 176.870 0.127 0.000 1.096 420 L CA 0.975 55.952 54.840 0.229 0.000 0.779 420 L CB -0.341 41.823 42.059 0.175 0.000 0.922 420 L HN 0.102 nan 8.230 nan 0.000 0.443 421 V N -0.332 119.625 119.914 0.072 0.000 2.323 421 V HA -0.228 3.892 4.120 -0.000 0.000 0.244 421 V C 2.730 178.808 176.094 -0.026 0.000 1.041 421 V CA 1.973 64.284 62.300 0.018 0.000 1.025 421 V CB -0.583 31.248 31.823 0.013 0.000 0.656 421 V HN 0.448 nan 8.190 nan 0.000 0.451 422 R N 0.034 120.555 120.500 0.035 0.000 2.075 422 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 422 R C 2.329 178.612 176.300 -0.028 0.000 1.126 422 R CA 1.628 57.772 56.100 0.074 0.000 0.963 422 R CB -0.712 29.732 30.300 0.239 0.000 0.858 422 R HN 0.558 nan 8.270 nan 0.000 0.435 423 G N 0.094 108.725 108.800 -0.283 0.000 2.432 423 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 423 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 423 G C 1.243 175.491 174.900 -1.086 0.000 1.135 423 G CA 0.600 45.123 45.100 -0.961 0.000 0.767 423 G HN 0.416 nan 8.290 nan 0.000 0.550 424 E N -0.123 119.658 120.200 -0.699 0.000 2.107 424 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 424 E C 2.703 179.191 176.600 -0.188 0.000 0.982 424 E CA 0.415 56.625 56.400 -0.317 0.000 0.809 424 E CB 0.055 29.720 29.700 -0.059 0.000 0.756 424 E HN 0.318 nan 8.360 nan 0.000 0.459 425 R N -0.174 120.228 120.500 -0.162 0.000 2.115 425 R HA -0.001 4.339 4.340 -0.000 0.000 0.226 425 R C 2.344 178.583 176.300 -0.101 0.000 1.100 425 R CA 0.668 56.701 56.100 -0.112 0.000 0.980 425 R CB -0.051 30.183 30.300 -0.109 0.000 0.875 425 R HN 0.186 nan 8.270 nan 0.000 0.445 426 L N -0.216 120.936 121.223 -0.119 0.000 2.141 426 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 426 L C 2.024 178.854 176.870 -0.067 0.000 1.094 426 L CA 1.244 56.043 54.840 -0.068 0.000 0.763 426 L CB -0.402 41.641 42.059 -0.026 0.000 0.908 426 L HN 0.241 nan 8.230 nan 0.000 0.437 427 T N -1.431 113.053 114.554 -0.118 0.000 2.777 427 T HA -0.258 4.092 4.350 -0.000 0.000 0.266 427 T C 1.807 176.492 174.700 -0.026 0.000 1.040 427 T CA 1.342 63.407 62.100 -0.057 0.000 1.141 427 T CB -0.114 68.728 68.868 -0.043 0.000 0.868 427 T HN 0.191 nan 8.240 nan 0.000 0.444 428 Q N 0.651 120.430 119.800 -0.035 0.000 2.119 428 Q HA 0.018 4.358 4.340 -0.000 0.000 0.201 428 Q C 2.069 178.070 176.000 0.001 0.000 0.972 428 Q CA 0.992 56.785 55.803 -0.015 0.000 0.847 428 Q CB -0.618 28.108 28.738 -0.021 0.000 0.903 428 Q HN 0.426 nan 8.270 nan 0.000 0.433 429 L N -0.442 120.782 121.223 0.000 0.000 2.131 429 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 429 L C 1.494 178.389 176.870 0.041 0.000 1.092 429 L CA 1.513 56.372 54.840 0.032 0.000 0.759 429 L CB -0.106 41.971 42.059 0.030 0.000 0.903 429 L HN 0.326 nan 8.230 nan 0.000 0.435 430 L N -0.881 120.356 121.223 0.024 0.000 2.591 430 L HA 0.034 4.374 4.340 -0.000 0.000 0.228 430 L C 0.714 177.593 176.870 0.016 0.000 1.133 430 L CA -0.063 54.792 54.840 0.026 0.000 0.880 430 L CB -0.395 41.678 42.059 0.023 0.000 1.033 430 L HN 0.097 nan 8.230 nan 0.000 0.450 431 K N 1.550 121.955 120.400 0.008 0.000 2.368 431 K HA 0.214 4.534 4.320 -0.000 0.000 0.282 431 K C -0.196 176.404 176.600 -0.001 0.000 1.035 431 K CA 0.199 56.480 56.287 -0.009 0.000 0.973 431 K CB 0.847 33.336 32.500 -0.018 0.000 0.957 431 K HN 0.013 nan 8.250 nan 0.000 0.474 432 Q N 2.442 122.233 119.800 -0.015 0.000 2.315 432 Q HA 0.191 4.531 4.340 -0.000 0.000 0.273 432 Q C -1.177 174.809 176.000 -0.023 0.000 1.053 432 Q CA -0.842 54.957 55.803 -0.007 0.000 0.817 432 Q CB 1.478 30.216 28.738 -0.000 0.000 1.326 432 Q HN 0.491 nan 8.270 nan 0.000 0.423 433 N N 2.148 120.843 118.700 -0.008 0.000 2.482 433 N HA 0.033 4.773 4.740 -0.000 0.000 0.260 433 N C -0.609 174.881 175.510 -0.034 0.000 1.236 433 N CA 0.071 53.116 53.050 -0.008 0.000 0.938 433 N CB 0.813 39.317 38.487 0.028 0.000 1.128 433 N HN 0.585 nan 8.380 nan 0.000 0.448 434 Q N 0.309 120.062 119.800 -0.077 0.000 2.394 434 Q HA 0.010 4.350 4.340 -0.000 0.000 0.248 434 Q C -0.387 175.529 176.000 -0.141 0.000 0.992 434 Q CA -0.099 55.543 55.803 -0.268 0.000 0.888 434 Q CB 0.271 28.692 28.738 -0.529 0.000 1.257 434 Q HN 0.581 nan 8.270 nan 0.000 0.462 435 Y N -0.438 119.845 120.300 -0.028 0.000 4.604 435 Y HA -0.254 4.296 4.550 -0.000 0.000 0.230 435 Y C 0.176 176.068 175.900 -0.014 0.000 1.066 435 Y CA 0.902 58.960 58.100 -0.069 0.000 1.990 435 Y CB -2.003 36.443 38.460 -0.024 0.000 1.619 435 Y HN 0.380 nan 8.280 nan 0.000 0.649 436 S N 0.666 116.416 115.700 0.083 0.000 2.384 436 S HA 0.268 4.738 4.470 -0.000 0.000 0.227 436 S C -2.309 172.312 174.600 0.035 0.000 1.257 436 S CA -0.835 57.407 58.200 0.070 0.000 1.249 436 S CB 0.687 63.923 63.200 0.061 0.000 1.018 436 S HN 0.094 nan 8.310 nan 0.000 0.478 437 P HA 0.229 nan 4.420 nan 0.000 0.276 437 P C -0.610 176.699 177.300 0.014 0.000 1.230 437 P CA -0.237 62.875 63.100 0.019 0.000 0.776 437 P CB 0.738 32.451 31.700 0.022 0.000 0.888 438 L N 1.983 123.215 121.223 0.016 0.000 2.343 438 L HA 0.597 4.937 4.340 -0.000 0.000 0.275 438 L C 1.017 177.890 176.870 0.006 0.000 1.056 438 L CA -1.091 53.753 54.840 0.006 0.000 0.804 438 L CB 1.271 43.338 42.059 0.014 0.000 1.203 438 L HN 0.386 nan 8.230 nan 0.000 0.440 439 A N 1.398 124.205 122.820 -0.021 0.000 2.346 439 A HA 0.299 4.619 4.320 -0.000 0.000 0.252 439 A C 1.185 178.777 177.584 0.014 0.000 1.089 439 A CA -0.152 51.872 52.037 -0.022 0.000 0.797 439 A CB 0.356 19.311 19.000 -0.075 0.000 1.047 439 A HN 0.868 nan 8.150 nan 0.000 0.494 440 T N 0.905 115.488 114.554 0.048 0.000 2.684 440 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 440 T C 1.444 176.152 174.700 0.015 0.000 1.036 440 T CA 2.293 64.422 62.100 0.049 0.000 1.148 440 T CB -0.405 68.509 68.868 0.076 0.000 0.863 440 T HN 0.818 nan 8.240 nan 0.000 0.436 441 E N 1.552 121.747 120.200 -0.009 0.000 2.267 441 E HA -0.111 4.239 4.350 -0.000 0.000 0.197 441 E C 1.974 178.540 176.600 -0.057 0.000 0.998 441 E CA 0.926 57.302 56.400 -0.039 0.000 0.830 441 E CB -0.334 29.330 29.700 -0.060 0.000 0.751 441 E HN 0.616 nan 8.360 nan 0.000 0.491 442 E N 0.569 120.743 120.200 -0.044 0.000 2.122 442 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 442 E C 2.044 178.642 176.600 -0.003 0.000 0.977 442 E CA 0.541 56.912 56.400 -0.048 0.000 0.820 442 E CB -0.010 29.663 29.700 -0.044 0.000 0.770 442 E HN 0.342 nan 8.360 nan 0.000 0.462 443 Q N 0.524 120.336 119.800 0.021 0.000 2.083 443 Q HA -0.105 4.235 4.340 -0.000 0.000 0.198 443 Q C 2.428 178.471 176.000 0.072 0.000 0.969 443 Q CA 1.094 56.928 55.803 0.051 0.000 0.838 443 Q CB -0.020 28.747 28.738 0.049 0.000 0.900 443 Q HN 0.105 nan 8.270 nan 0.000 0.436 444 V N 1.681 121.627 119.914 0.053 0.000 2.231 444 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 444 V C -0.834 175.332 176.094 0.120 0.000 1.054 444 V CA 2.279 64.620 62.300 0.068 0.000 1.015 444 V CB -1.526 30.311 31.823 0.024 0.000 0.638 444 V HN 0.295 nan 8.190 nan 0.000 0.444 445 P HA -0.081 nan 4.420 nan 0.000 0.220 445 P C 1.785 179.325 177.300 0.399 0.000 1.148 445 P CA 1.222 64.441 63.100 0.198 0.000 0.803 445 P CB -0.006 31.697 31.700 0.005 0.000 0.782 446 L N -1.230 120.171 121.223 0.297 0.000 2.023 446 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 446 L C 2.247 179.257 176.870 0.233 0.000 1.073 446 L CA 1.136 56.166 54.840 0.317 0.000 0.745 446 L CB -0.898 41.299 42.059 0.231 0.000 0.900 446 L HN -0.103 nan 8.230 nan 0.000 0.435 447 I N -0.586 120.093 120.570 0.181 0.000 2.194 447 I HA -0.357 3.813 4.170 -0.000 0.000 0.246 447 I C 2.520 178.729 176.117 0.154 0.000 1.093 447 I CA 1.792 63.176 61.300 0.140 0.000 1.355 447 I CB -1.275 36.797 38.000 0.119 0.000 1.046 447 I HN 0.274 nan 8.210 nan 0.000 0.413 448 Y N 1.943 122.297 120.300 0.090 0.000 2.145 448 Y HA -0.217 4.333 4.550 0.000 0.000 0.286 448 Y C 2.615 178.566 175.900 0.085 0.000 1.145 448 Y CA 2.068 60.215 58.100 0.077 0.000 1.148 448 Y CB -0.250 38.250 38.460 0.067 0.000 0.981 448 Y HN 0.118 nan 8.280 nan 0.000 0.507 449 A N -0.058 122.871 122.820 0.181 0.000 1.933 449 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 449 A C 2.410 180.000 177.584 0.010 0.000 1.175 449 A CA 1.620 53.693 52.037 0.061 0.000 0.628 449 A CB -1.615 17.436 19.000 0.084 0.000 0.814 449 A HN 0.599 nan 8.150 nan 0.000 0.444 450 G N -0.456 108.348 108.800 0.007 0.000 2.505 450 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.214 450 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.214 450 G C 1.510 176.374 174.900 -0.060 0.000 1.237 450 G CA 1.202 46.284 45.100 -0.030 0.000 0.802 450 G HN 0.281 nan 8.290 nan 0.000 0.549 451 V N 1.862 121.737 119.914 -0.067 0.000 2.332 451 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 451 V C 2.438 178.412 176.094 -0.199 0.000 1.055 451 V CA 1.926 64.156 62.300 -0.117 0.000 1.038 451 V CB -0.445 31.329 31.823 -0.082 0.000 0.651 451 V HN 0.385 nan 8.190 nan 0.000 0.450 452 N N -0.178 118.378 118.700 -0.240 0.000 2.463 452 N HA 0.045 4.785 4.740 -0.000 0.000 0.181 452 N C 1.459 176.830 175.510 -0.232 0.000 1.078 452 N CA 1.116 54.013 53.050 -0.255 0.000 0.902 452 N CB 0.841 39.102 38.487 -0.377 0.000 0.970 452 N HN 0.632 nan 8.380 nan 0.000 0.451 453 G N 0.549 109.244 108.800 -0.175 0.000 2.135 453 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.183 453 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.183 453 G C 0.258 175.017 174.900 -0.235 0.000 1.004 453 G CA -0.103 44.877 45.100 -0.199 0.000 0.677 453 G HN 0.423 nan 8.290 nan 0.000 0.512 454 H N -0.330 118.644 119.070 -0.159 0.000 2.524 454 H HA 0.315 4.871 4.556 -0.000 0.000 0.282 454 H C 2.573 177.780 175.328 -0.202 0.000 1.016 454 H CA 1.290 57.256 56.048 -0.137 0.000 1.270 454 H CB 0.136 29.843 29.762 -0.090 0.000 1.394 454 H HN 0.455 nan 8.280 nan 0.000 0.568 455 L N -0.181 120.950 121.223 -0.154 0.000 2.477 455 L HA -0.032 4.308 4.340 -0.000 0.000 0.220 455 L C 1.280 178.032 176.870 -0.197 0.000 1.106 455 L CA 0.181 54.848 54.840 -0.288 0.000 0.851 455 L CB 0.136 42.003 42.059 -0.320 0.000 0.994 455 L HN 0.167 nan 8.230 nan 0.000 0.462 456 D N 0.888 121.202 120.400 -0.144 0.000 2.190 456 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 456 D C 1.745 177.988 176.300 -0.094 0.000 0.992 456 D CA 1.406 55.341 54.000 -0.107 0.000 0.854 456 D CB -0.090 40.651 40.800 -0.098 0.000 0.936 456 D HN 0.300 nan 8.370 nan 0.000 0.462 457 G N -0.338 108.401 108.800 -0.101 0.000 3.814 457 G HA2 0.398 4.358 3.960 -0.000 0.000 0.293 457 G HA3 0.398 4.358 3.960 -0.000 0.000 0.293 457 G C 0.109 174.959 174.900 -0.083 0.000 1.243 457 G CA -0.253 44.799 45.100 -0.080 0.000 1.053 457 G HN 0.120 nan 8.290 nan 0.000 0.562 458 I N -0.189 120.318 120.570 -0.104 0.000 2.545 458 I HA 0.241 4.411 4.170 -0.000 0.000 0.292 458 I C 0.020 176.090 176.117 -0.078 0.000 1.040 458 I CA -0.890 60.349 61.300 -0.102 0.000 1.068 458 I CB 2.754 40.649 38.000 -0.176 0.000 1.251 458 I HN 0.036 nan 8.210 nan 0.000 0.424 459 E N 3.442 123.614 120.200 -0.046 0.000 2.442 459 E HA -0.074 4.276 4.350 -0.000 0.000 0.262 459 E C 0.634 177.217 176.600 -0.029 0.000 1.004 459 E CA -0.102 56.280 56.400 -0.029 0.000 0.928 459 E CB 0.887 30.579 29.700 -0.013 0.000 0.937 459 E HN 0.472 nan 8.360 nan 0.000 0.446 460 L N 3.977 125.186 121.223 -0.023 0.000 2.141 460 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 460 L C 2.092 178.959 176.870 -0.005 0.000 1.094 460 L CA 2.126 56.953 54.840 -0.021 0.000 0.763 460 L CB -0.374 41.677 42.059 -0.014 0.000 0.908 460 L HN 0.639 nan 8.230 nan 0.000 0.437 461 S N -1.815 113.888 115.700 0.004 0.000 2.522 461 S HA -0.051 4.419 4.470 -0.000 0.000 0.227 461 S C 1.921 176.538 174.600 0.030 0.000 0.986 461 S CA 0.277 58.486 58.200 0.015 0.000 0.929 461 S CB -0.373 62.835 63.200 0.014 0.000 0.769 461 S HN 0.481 nan 8.310 nan 0.000 0.529 462 R N 0.120 120.639 120.500 0.032 0.000 2.334 462 R HA 0.374 4.714 4.340 -0.000 0.000 0.216 462 R C 1.233 177.597 176.300 0.106 0.000 0.905 462 R CA -0.071 56.068 56.100 0.065 0.000 1.064 462 R CB -0.030 30.305 30.300 0.058 0.000 1.046 462 R HN 0.359 nan 8.270 nan 0.000 0.508 463 I N 0.090 120.699 120.570 0.065 0.000 2.361 463 I HA -0.139 4.031 4.170 -0.000 0.000 0.251 463 I C 2.255 178.471 176.117 0.165 0.000 1.133 463 I CA 1.478 62.827 61.300 0.081 0.000 1.413 463 I CB -1.283 36.719 38.000 0.004 0.000 1.073 463 I HN 0.237 nan 8.210 nan 0.000 0.424 464 G N 1.835 110.706 108.800 0.118 0.000 2.433 464 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 464 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 464 G C 1.491 176.478 174.900 0.145 0.000 1.186 464 G CA 0.955 46.123 45.100 0.115 0.000 0.779 464 G HN 0.640 nan 8.290 nan 0.000 0.543 465 E N -0.652 119.637 120.200 0.148 0.000 2.208 465 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 465 E C 2.085 178.814 176.600 0.215 0.000 0.988 465 E CA 0.499 56.989 56.400 0.150 0.000 0.828 465 E CB -0.450 29.323 29.700 0.121 0.000 0.763 465 E HN 0.403 nan 8.360 nan 0.000 0.478 466 F N 2.308 122.337 119.950 0.132 0.000 2.102 466 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 466 F C 2.266 178.194 175.800 0.213 0.000 1.105 466 F CA 2.137 60.260 58.000 0.205 0.000 1.239 466 F CB -0.170 38.918 39.000 0.146 0.000 0.991 466 F HN 0.078 nan 8.300 nan 0.000 0.474 467 E N 0.283 120.688 120.200 0.341 0.000 2.021 467 E HA -0.287 4.063 4.350 -0.000 0.000 0.200 467 E C 2.237 178.882 176.600 0.074 0.000 1.015 467 E CA 2.529 59.068 56.400 0.231 0.000 0.824 467 E CB -0.372 29.447 29.700 0.198 0.000 0.762 467 E HN 0.526 nan 8.360 nan 0.000 0.454 468 S N -0.116 115.623 115.700 0.066 0.000 2.382 468 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 468 S C 2.270 176.863 174.600 -0.011 0.000 1.027 468 S CA 1.288 59.502 58.200 0.023 0.000 0.991 468 S CB -0.272 62.953 63.200 0.041 0.000 0.823 468 S HN 0.161 nan 8.310 nan 0.000 0.469 469 S N 1.315 117.024 115.700 0.015 0.000 2.368 469 S HA 0.074 4.544 4.470 -0.000 0.000 0.224 469 S C 1.409 175.895 174.600 -0.190 0.000 1.029 469 S CA 0.933 59.161 58.200 0.048 0.000 0.988 469 S CB -0.566 62.781 63.200 0.245 0.000 0.838 469 S HN 0.514 nan 8.310 nan 0.000 0.462 470 F N 2.663 122.162 119.950 -0.752 0.000 2.095 470 F HA -0.057 4.470 4.527 0.000 0.000 0.298 470 F C 1.791 177.271 175.800 -0.533 0.000 1.104 470 F CA 1.054 58.327 58.000 -1.213 0.000 1.232 470 F CB -0.765 37.511 39.000 -1.208 0.000 0.987 470 F HN 0.107 nan 8.300 nan 0.000 0.475 471 L N -1.026 119.974 121.223 -0.371 0.000 2.017 471 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 471 L C 2.613 179.336 176.870 -0.244 0.000 1.073 471 L CA 1.530 56.173 54.840 -0.329 0.000 0.745 471 L CB -1.145 40.809 42.059 -0.175 0.000 0.894 471 L HN 0.040 nan 8.230 nan 0.000 0.432 472 S N -1.082 114.530 115.700 -0.147 0.000 2.370 472 S HA -0.260 4.210 4.470 -0.000 0.000 0.226 472 S C 1.890 176.457 174.600 -0.055 0.000 1.033 472 S CA 1.562 59.717 58.200 -0.074 0.000 1.011 472 S CB -0.399 62.798 63.200 -0.006 0.000 0.852 472 S HN 0.439 nan 8.310 nan 0.000 0.457 473 Y N 1.958 122.137 120.300 -0.203 0.000 2.181 473 Y HA -0.052 4.498 4.550 0.000 0.000 0.288 473 Y C 1.835 177.643 175.900 -0.154 0.000 1.146 473 Y CA 1.300 59.316 58.100 -0.139 0.000 1.164 473 Y CB -0.470 37.891 38.460 -0.164 0.000 0.982 473 Y HN 0.161 nan 8.280 nan 0.000 0.515 474 L N 0.095 121.069 121.223 -0.414 0.000 2.093 474 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 474 L C 2.314 178.997 176.870 -0.312 0.000 1.085 474 L CA 1.640 56.216 54.840 -0.440 0.000 0.755 474 L CB -0.482 41.255 42.059 -0.538 0.000 0.904 474 L HN 0.120 nan 8.230 nan 0.000 0.435 475 K N -0.837 119.411 120.400 -0.253 0.000 2.365 475 K HA -0.049 4.271 4.320 -0.000 0.000 0.199 475 K C 2.145 178.642 176.600 -0.172 0.000 1.045 475 K CA 0.861 57.038 56.287 -0.184 0.000 0.962 475 K CB 0.098 32.511 32.500 -0.144 0.000 0.759 475 K HN 0.161 nan 8.250 nan 0.000 0.469 476 S N 0.685 116.265 115.700 -0.200 0.000 2.398 476 S HA 0.025 4.495 4.470 -0.000 0.000 0.220 476 S C 1.315 175.766 174.600 -0.249 0.000 1.046 476 S CA 0.833 58.927 58.200 -0.176 0.000 0.953 476 S CB 0.046 63.178 63.200 -0.113 0.000 0.856 476 S HN 0.298 nan 8.310 nan 0.000 0.506 477 N N 0.301 118.752 118.700 -0.416 0.000 2.499 477 N HA 0.098 4.838 4.740 -0.000 0.000 0.182 477 N C 0.307 175.408 175.510 -0.682 0.000 1.034 477 N CA 0.674 53.377 53.050 -0.578 0.000 0.882 477 N CB 0.123 38.131 38.487 -0.798 0.000 1.125 477 N HN 0.314 nan 8.380 nan 0.000 0.436 478 H N 0.064 118.922 119.070 -0.353 0.000 2.507 478 H HA 0.242 4.798 4.556 -0.000 0.000 0.281 478 H C 0.389 175.587 175.328 -0.216 0.000 1.160 478 H CA -0.162 55.732 56.048 -0.257 0.000 0.981 478 H CB -0.077 29.522 29.762 -0.271 0.000 1.665 478 H HN 0.340 nan 8.280 nan 0.000 0.554 479 N N 1.219 119.835 118.700 -0.141 0.000 2.244 479 N HA -0.128 4.612 4.740 -0.000 0.000 0.183 479 N C 1.129 176.585 175.510 -0.089 0.000 1.016 479 N CA 0.689 53.667 53.050 -0.121 0.000 0.866 479 N CB 0.415 38.829 38.487 -0.123 0.000 0.980 479 N HN 0.509 nan 8.380 nan 0.000 0.430 480 E N 0.464 120.620 120.200 -0.073 0.000 2.153 480 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 480 E C 1.980 178.551 176.600 -0.049 0.000 0.988 480 E CA 0.355 56.722 56.400 -0.054 0.000 0.811 480 E CB 0.089 29.762 29.700 -0.044 0.000 0.746 480 E HN 0.303 nan 8.360 nan 0.000 0.466 481 L N 0.791 121.987 121.223 -0.046 0.000 1.989 481 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 481 L C 2.355 179.178 176.870 -0.078 0.000 1.071 481 L CA 1.641 56.444 54.840 -0.061 0.000 0.749 481 L CB -0.978 41.038 42.059 -0.072 0.000 0.890 481 L HN 0.256 nan 8.230 nan 0.000 0.431 482 L N -1.102 120.066 121.223 -0.092 0.000 2.046 482 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 482 L C 2.440 179.267 176.870 -0.071 0.000 1.077 482 L CA 1.627 56.410 54.840 -0.095 0.000 0.747 482 L CB -1.197 40.792 42.059 -0.115 0.000 0.896 482 L HN 0.276 nan 8.230 nan 0.000 0.432 483 T N -0.849 113.666 114.554 -0.065 0.000 2.720 483 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 483 T C 1.778 176.454 174.700 -0.039 0.000 1.037 483 T CA 1.323 63.392 62.100 -0.051 0.000 1.144 483 T CB -0.204 68.634 68.868 -0.049 0.000 0.864 483 T HN 0.356 nan 8.240 nan 0.000 0.444 484 E N 0.537 120.712 120.200 -0.041 0.000 2.110 484 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 484 E C 2.259 178.841 176.600 -0.030 0.000 0.988 484 E CA 0.865 57.246 56.400 -0.033 0.000 0.804 484 E CB -0.256 29.422 29.700 -0.036 0.000 0.745 484 E HN 0.537 nan 8.360 nan 0.000 0.458 485 I N 0.493 121.040 120.570 -0.038 0.000 2.252 485 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 485 I C 2.785 178.894 176.117 -0.013 0.000 1.102 485 I CA 0.863 62.144 61.300 -0.031 0.000 1.385 485 I CB -0.223 37.750 38.000 -0.045 0.000 1.064 485 I HN -0.010 nan 8.210 nan 0.000 0.414 486 R N 1.052 121.542 120.500 -0.015 0.000 2.066 486 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 486 R C 2.092 178.403 176.300 0.019 0.000 1.131 486 R CA 1.553 57.656 56.100 0.004 0.000 0.955 486 R CB 0.004 30.294 30.300 -0.017 0.000 0.851 486 R HN 0.367 nan 8.270 nan 0.000 0.432 487 E N -0.405 119.798 120.200 0.004 0.000 2.122 487 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 487 E C 1.826 178.431 176.600 0.009 0.000 0.977 487 E CA 0.726 57.131 56.400 0.009 0.000 0.820 487 E CB 0.336 30.035 29.700 -0.002 0.000 0.770 487 E HN 0.259 nan 8.360 nan 0.000 0.462 488 K N -0.662 119.739 120.400 0.002 0.000 2.202 488 K HA 0.060 4.380 4.320 -0.000 0.000 0.201 488 K C 1.280 177.882 176.600 0.003 0.000 1.051 488 K CA 0.765 57.052 56.287 0.001 0.000 0.977 488 K CB 0.538 33.035 32.500 -0.006 0.000 0.792 488 K HN 0.210 nan 8.250 nan 0.000 0.469 489 G N 2.587 111.390 108.800 0.004 0.000 2.179 489 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.257 489 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.257 489 G C -0.159 174.742 174.900 0.002 0.000 1.010 489 G CA 0.905 46.009 45.100 0.007 0.000 0.736 489 G HN 0.422 nan 8.290 nan 0.000 0.513 490 E N -1.287 118.912 120.200 -0.002 0.000 2.412 490 E HA 0.638 4.988 4.350 -0.000 0.000 0.279 490 E C -0.891 175.703 176.600 -0.011 0.000 0.984 490 E CA -1.042 55.357 56.400 -0.002 0.000 0.788 490 E CB 1.228 30.928 29.700 0.000 0.000 1.277 490 E HN 0.165 nan 8.360 nan 0.000 0.455 491 L N 3.102 124.319 121.223 -0.010 0.000 2.318 491 L HA 0.369 4.709 4.340 -0.000 0.000 0.277 491 L C 0.088 176.949 176.870 -0.014 0.000 1.008 491 L CA -0.667 54.160 54.840 -0.022 0.000 0.846 491 L CB 1.476 43.516 42.059 -0.032 0.000 1.220 491 L HN 0.529 nan 8.230 nan 0.000 0.423 492 S N 1.608 117.298 115.700 -0.016 0.000 2.608 492 S HA 0.224 4.694 4.470 -0.000 0.000 0.261 492 S C 1.004 175.598 174.600 -0.010 0.000 1.314 492 S CA -0.649 57.545 58.200 -0.010 0.000 0.992 492 S CB 1.161 64.356 63.200 -0.009 0.000 0.935 492 S HN 0.599 nan 8.310 nan 0.000 0.564 493 K N 0.534 120.933 120.400 -0.002 0.000 2.160 493 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 493 K C 1.888 178.486 176.600 -0.003 0.000 1.047 493 K CA 1.854 58.142 56.287 0.003 0.000 0.930 493 K CB -0.238 32.267 32.500 0.008 0.000 0.720 493 K HN 0.602 nan 8.250 nan 0.000 0.450 494 E N 0.800 120.995 120.200 -0.008 0.000 2.107 494 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 494 E C 1.848 178.433 176.600 -0.026 0.000 0.982 494 E CA 0.705 57.098 56.400 -0.011 0.000 0.809 494 E CB -0.070 29.625 29.700 -0.008 0.000 0.756 494 E HN 0.169 nan 8.360 nan 0.000 0.459 495 L N 0.085 121.285 121.223 -0.038 0.000 2.093 495 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 495 L C 2.169 178.975 176.870 -0.107 0.000 1.085 495 L CA 0.779 55.579 54.840 -0.066 0.000 0.755 495 L CB -0.313 41.707 42.059 -0.064 0.000 0.904 495 L HN 0.163 nan 8.230 nan 0.000 0.435 496 L N -0.573 120.596 121.223 -0.090 0.000 2.017 496 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 496 L C 2.876 179.694 176.870 -0.087 0.000 1.073 496 L CA 1.333 56.102 54.840 -0.118 0.000 0.745 496 L CB -0.756 41.290 42.059 -0.022 0.000 0.894 496 L HN 0.241 nan 8.230 nan 0.000 0.432 497 A N -0.654 122.150 122.820 -0.026 0.000 1.902 497 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 497 A C 2.496 180.070 177.584 -0.016 0.000 1.181 497 A CA 2.144 54.184 52.037 0.004 0.000 0.623 497 A CB -0.664 18.345 19.000 0.015 0.000 0.818 497 A HN 0.402 nan 8.150 nan 0.000 0.443 498 S N -0.565 115.108 115.700 -0.044 0.000 2.368 498 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 498 S C 1.832 176.366 174.600 -0.111 0.000 1.030 498 S CA 1.514 59.681 58.200 -0.056 0.000 0.999 498 S CB -0.402 62.766 63.200 -0.053 0.000 0.844 498 S HN 0.451 nan 8.310 nan 0.000 0.459 499 L N 1.930 123.048 121.223 -0.174 0.000 2.156 499 L HA 0.065 4.405 4.340 -0.000 0.000 0.208 499 L C 2.154 178.918 176.870 -0.177 0.000 1.095 499 L CA 1.634 56.319 54.840 -0.258 0.000 0.770 499 L CB -0.474 41.305 42.059 -0.467 0.000 0.914 499 L HN 0.149 nan 8.230 nan 0.000 0.439 500 K N -1.311 119.041 120.400 -0.081 0.000 2.002 500 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 500 K C 2.306 178.972 176.600 0.110 0.000 1.048 500 K CA 1.701 58.076 56.287 0.145 0.000 0.930 500 K CB -0.305 32.314 32.500 0.200 0.000 0.714 500 K HN 0.351 nan 8.250 nan 0.000 0.438 501 S N -0.333 115.405 115.700 0.062 0.000 2.428 501 S HA -0.040 4.430 4.470 -0.000 0.000 0.230 501 S C 1.859 176.496 174.600 0.061 0.000 1.014 501 S CA 1.017 59.261 58.200 0.073 0.000 0.957 501 S CB -0.173 63.063 63.200 0.062 0.000 0.784 501 S HN 0.453 nan 8.310 nan 0.000 0.499 502 A N 0.419 123.217 122.820 -0.037 0.000 1.968 502 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 502 A C 2.296 180.001 177.584 0.202 0.000 1.169 502 A CA 1.933 53.894 52.037 -0.127 0.000 0.638 502 A CB -1.196 17.505 19.000 -0.497 0.000 0.812 502 A HN 0.573 nan 8.150 nan 0.000 0.446 503 T N -0.162 114.496 114.554 0.173 0.000 2.809 503 T HA -0.079 4.271 4.350 -0.000 0.000 0.260 503 T C 1.757 176.536 174.700 0.131 0.000 1.039 503 T CA 1.436 63.623 62.100 0.145 0.000 1.141 503 T CB -0.223 68.567 68.868 -0.130 0.000 0.869 503 T HN 0.622 nan 8.240 nan 0.000 0.437 504 E N 1.059 121.346 120.200 0.145 0.000 2.118 504 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 504 E C 2.420 179.109 176.600 0.148 0.000 0.992 504 E CA 1.102 57.623 56.400 0.202 0.000 0.804 504 E CB -0.173 29.649 29.700 0.203 0.000 0.741 504 E HN 0.299 nan 8.360 nan 0.000 0.458 505 S N 0.011 115.811 115.700 0.166 0.000 2.370 505 S HA -0.187 4.283 4.470 -0.000 0.000 0.226 505 S C 1.668 176.312 174.600 0.073 0.000 1.033 505 S CA 1.037 59.328 58.200 0.152 0.000 1.011 505 S CB -0.234 63.121 63.200 0.259 0.000 0.852 505 S HN 0.337 nan 8.310 nan 0.000 0.457 506 F N 1.786 121.684 119.950 -0.087 0.000 2.259 506 F HA 0.075 4.602 4.527 0.000 0.000 0.298 506 F C 1.999 177.734 175.800 -0.109 0.000 1.088 506 F CA 0.784 58.628 58.000 -0.260 0.000 1.358 506 F CB -0.399 38.453 39.000 -0.246 0.000 1.040 506 F HN 0.024 nan 8.300 nan 0.000 0.505 507 V N 0.777 120.694 119.914 0.004 0.000 2.380 507 V HA -0.236 3.884 4.120 -0.000 0.000 0.251 507 V C 1.502 177.519 176.094 -0.129 0.000 1.063 507 V CA 1.297 63.592 62.300 -0.009 0.000 1.055 507 V CB -1.710 30.164 31.823 0.085 0.000 0.657 507 V HN 0.380 nan 8.190 nan 0.000 0.455 508 A N -0.244 122.495 122.820 -0.135 0.000 2.310 508 A HA 0.514 4.834 4.320 -0.000 0.000 0.300 508 A C 0.557 178.021 177.584 -0.199 0.000 1.269 508 A CA 0.522 52.482 52.037 -0.128 0.000 0.909 508 A CB -0.176 18.782 19.000 -0.069 0.000 1.144 508 A HN 0.458 nan 8.150 nan 0.000 0.540 509 T N 0.000 114.440 114.554 -0.189 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 61.974 62.100 -0.209 0.000 1.349 509 T CB 0.000 68.780 68.868 -0.146 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658