REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ofn_1_C DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LILEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAF AQFGSDLDAS 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 0.000 175.515 175.510 0.008 0.000 1.280 26 N CA 0.000 53.056 53.050 0.010 0.000 0.885 26 N CB 0.000 38.488 38.487 0.002 0.000 1.341 27 L N 2.178 123.401 121.223 0.000 0.000 2.959 27 L HA 0.377 4.716 4.340 -0.001 0.000 0.259 27 L C 1.088 177.929 176.870 -0.050 0.000 1.185 27 L CA -0.297 54.533 54.840 -0.016 0.000 0.998 27 L CB 0.072 42.127 42.059 -0.007 0.000 1.337 27 L HN 0.419 nan 8.230 nan 0.000 0.555 28 N N 0.679 119.355 118.700 -0.040 0.000 2.142 28 N HA -0.129 4.610 4.740 -0.001 0.000 0.186 28 N C 1.509 176.990 175.510 -0.048 0.000 1.023 28 N CA 1.288 54.310 53.050 -0.046 0.000 0.852 28 N CB 0.219 38.686 38.487 -0.033 0.000 0.998 28 N HN 0.268 nan 8.380 nan 0.000 0.424 29 E N -0.493 119.683 120.200 -0.040 0.000 2.431 29 E HA 0.089 4.439 4.350 -0.001 0.000 0.200 29 E C 0.267 176.836 176.600 -0.053 0.000 0.995 29 E CA 0.327 56.702 56.400 -0.042 0.000 0.915 29 E CB 0.538 30.220 29.700 -0.031 0.000 0.930 29 E HN 0.400 nan 8.360 nan 0.000 0.496 30 T N -1.750 112.775 114.554 -0.049 0.000 2.893 30 T HA 0.747 5.096 4.350 -0.001 0.000 0.293 30 T C 0.098 174.771 174.700 -0.045 0.000 1.027 30 T CA -0.820 61.248 62.100 -0.053 0.000 0.988 30 T CB 2.458 71.305 68.868 -0.033 0.000 1.043 30 T HN -0.016 nan 8.240 nan 0.000 0.461 31 G N 1.566 110.332 108.800 -0.057 0.000 2.563 31 G HA2 0.679 4.639 3.960 -0.001 0.000 0.302 31 G HA3 0.679 4.639 3.960 -0.001 0.000 0.302 31 G C -0.643 174.264 174.900 0.011 0.000 1.301 31 G CA -1.326 43.766 45.100 -0.014 0.000 0.965 31 G HN 1.040 nan 8.290 nan 0.000 0.480 32 R N -0.437 120.117 120.500 0.091 0.000 2.549 32 R HA 0.658 4.998 4.340 -0.001 0.000 0.267 32 R C -0.954 175.407 176.300 0.102 0.000 1.045 32 R CA -0.679 55.470 56.100 0.082 0.000 1.115 32 R CB 1.311 31.660 30.300 0.083 0.000 1.121 32 R HN 0.185 nan 8.270 nan 0.000 0.543 33 V N 3.485 123.457 119.914 0.097 0.000 2.408 33 V HA 0.065 4.184 4.120 -0.001 0.000 0.267 33 V C 1.340 177.489 176.094 0.091 0.000 1.047 33 V CA -0.283 62.090 62.300 0.121 0.000 0.937 33 V CB 0.912 32.832 31.823 0.161 0.000 0.999 33 V HN 0.764 nan 8.190 nan 0.000 0.472 34 L N 3.854 125.137 121.223 0.100 0.000 2.068 34 L HA 0.323 4.663 4.340 -0.001 0.000 0.204 34 L C 0.977 177.875 176.870 0.047 0.000 1.076 34 L CA 1.370 56.250 54.840 0.067 0.000 0.753 34 L CB 0.163 42.278 42.059 0.094 0.000 0.910 34 L HN 0.807 nan 8.230 nan 0.000 0.439 35 A N -1.282 121.572 122.820 0.056 0.000 2.594 35 A HA 0.570 4.889 4.320 -0.001 0.000 0.296 35 A C -1.758 175.850 177.584 0.040 0.000 1.061 35 A CA -0.354 51.706 52.037 0.038 0.000 0.689 35 A CB 1.738 20.754 19.000 0.026 0.000 1.280 35 A HN -0.206 nan 8.150 nan 0.000 0.406 36 V N 1.097 121.024 119.914 0.022 0.000 2.623 36 V HA 0.906 5.026 4.120 -0.001 0.000 0.304 36 V C -0.137 175.950 176.094 -0.012 0.000 1.054 36 V CA 0.784 63.086 62.300 0.003 0.000 0.882 36 V CB 1.714 33.529 31.823 -0.013 0.000 1.002 36 V HN 2.150 nan 8.190 nan 0.000 0.424 37 G N 3.607 112.397 108.800 -0.017 0.000 2.752 37 G HA2 0.509 4.468 3.960 -0.001 0.000 0.298 37 G HA3 0.509 4.468 3.960 -0.001 0.000 0.298 37 G C -0.828 174.061 174.900 -0.020 0.000 1.434 37 G CA -0.047 45.041 45.100 -0.018 0.000 1.004 37 G HN 0.825 nan 8.290 nan 0.000 0.560 38 D N 0.477 120.865 120.400 -0.021 0.000 2.699 38 D HA -0.200 4.439 4.640 -0.001 0.000 0.239 38 D C 1.493 177.783 176.300 -0.016 0.000 1.136 38 D CA 2.140 56.131 54.000 -0.016 0.000 0.668 38 D CB -1.051 39.742 40.800 -0.013 0.000 1.060 38 D HN 2.182 nan 8.370 nan 0.000 0.429 39 G N -0.562 108.222 108.800 -0.028 0.000 2.168 39 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.257 39 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.257 39 G C 0.250 175.131 174.900 -0.032 0.000 0.997 39 G CA 0.518 45.601 45.100 -0.029 0.000 0.708 39 G HN 0.518 nan 8.290 nan 0.000 0.520 40 I N 0.195 120.747 120.570 -0.030 0.000 2.569 40 I HA 0.780 4.950 4.170 -0.001 0.000 0.296 40 I C 0.244 176.358 176.117 -0.005 0.000 1.028 40 I CA -0.948 60.343 61.300 -0.014 0.000 1.082 40 I CB 1.763 39.759 38.000 -0.008 0.000 1.264 40 I HN 0.449 nan 8.210 nan 0.000 0.429 41 A N 6.214 129.054 122.820 0.033 0.000 2.381 41 A HA 0.707 5.026 4.320 -0.001 0.000 0.299 41 A C -0.533 177.109 177.584 0.096 0.000 1.049 41 A CA -0.737 51.348 52.037 0.081 0.000 0.715 41 A CB 1.270 20.370 19.000 0.166 0.000 1.222 41 A HN 0.696 nan 8.150 nan 0.000 0.428 42 R N 1.378 121.927 120.500 0.083 0.000 2.202 42 R HA 0.523 4.862 4.340 -0.001 0.000 0.334 42 R C -0.960 175.403 176.300 0.105 0.000 1.036 42 R CA -0.165 55.982 56.100 0.079 0.000 0.878 42 R CB 1.292 31.631 30.300 0.064 0.000 1.067 42 R HN 0.471 nan 8.270 nan 0.000 0.457 43 V N 4.553 124.523 119.914 0.093 0.000 2.628 43 V HA 0.374 4.494 4.120 -0.001 0.000 0.306 43 V C -0.655 175.507 176.094 0.114 0.000 1.045 43 V CA -0.854 61.501 62.300 0.093 0.000 0.905 43 V CB 1.669 33.505 31.823 0.022 0.000 0.997 43 V HN 0.538 nan 8.190 nan 0.000 0.436 44 F N 3.455 123.400 119.950 -0.008 0.000 2.420 44 F HA 0.794 5.321 4.527 -0.001 0.000 0.342 44 F C 0.731 176.518 175.800 -0.021 0.000 1.113 44 F CA 1.236 59.230 58.000 -0.011 0.000 1.059 44 F CB 1.240 40.237 39.000 -0.005 0.000 1.128 44 F HN 0.883 nan 8.300 nan 0.000 0.475 45 G N 4.127 112.573 108.800 -0.590 0.000 2.594 45 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.217 45 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.217 45 G C 0.157 174.920 174.900 -0.228 0.000 1.163 45 G CA -0.433 44.446 45.100 -0.369 0.000 1.074 45 G HN 1.279 nan 8.290 nan 0.000 0.589 46 L N 0.340 121.480 121.223 -0.137 0.000 3.781 46 L HA -0.251 4.089 4.340 -0.001 0.000 0.426 46 L C 1.771 178.578 176.870 -0.106 0.000 1.197 46 L CA 0.612 55.386 54.840 -0.110 0.000 0.907 46 L CB -1.344 40.650 42.059 -0.108 0.000 1.812 46 L HN 0.636 nan 8.230 nan 0.000 0.956 47 N N 0.421 119.054 118.700 -0.113 0.000 2.094 47 N HA -0.148 4.591 4.740 -0.001 0.000 0.191 47 N C 1.185 176.652 175.510 -0.071 0.000 1.023 47 N CA 1.811 54.799 53.050 -0.103 0.000 0.857 47 N CB -0.275 38.153 38.487 -0.099 0.000 1.013 47 N HN 0.554 nan 8.380 nan 0.000 0.426 48 N N 0.752 119.417 118.700 -0.058 0.000 2.362 48 N HA 0.073 4.813 4.740 -0.001 0.000 0.204 48 N C 0.338 175.824 175.510 -0.040 0.000 1.166 48 N CA -0.080 52.944 53.050 -0.043 0.000 0.831 48 N CB 0.424 38.890 38.487 -0.035 0.000 1.008 48 N HN 0.355 nan 8.380 nan 0.000 0.472 49 I N 1.165 121.706 120.570 -0.049 0.000 2.696 49 I HA -0.064 4.106 4.170 -0.001 0.000 0.284 49 I C 0.198 176.295 176.117 -0.033 0.000 1.129 49 I CA -0.203 61.071 61.300 -0.043 0.000 1.410 49 I CB 0.713 38.680 38.000 -0.056 0.000 1.399 49 I HN 0.013 nan 8.210 nan 0.000 0.579 50 Q N 5.105 124.891 119.800 -0.023 0.000 2.214 50 Q HA 0.538 4.878 4.340 -0.001 0.000 0.251 50 Q C -0.293 175.701 176.000 -0.010 0.000 0.936 50 Q CA -0.959 54.835 55.803 -0.014 0.000 0.894 50 Q CB 1.386 30.119 28.738 -0.008 0.000 1.252 50 Q HN 0.757 nan 8.270 nan 0.000 0.448 51 A N 2.051 124.868 122.820 -0.005 0.000 2.522 51 A HA 0.069 4.389 4.320 -0.001 0.000 0.256 51 A C -0.134 177.456 177.584 0.010 0.000 1.086 51 A CA 0.226 52.265 52.037 0.003 0.000 0.763 51 A CB -0.421 18.584 19.000 0.008 0.000 1.024 51 A HN 0.916 nan 8.150 nan 0.000 0.502 52 E N 0.020 120.230 120.200 0.016 0.000 2.497 52 E HA -0.157 4.193 4.350 -0.001 0.000 0.273 52 E C -0.159 176.460 176.600 0.032 0.000 1.045 52 E CA 1.008 57.428 56.400 0.032 0.000 0.797 52 E CB -1.433 28.287 29.700 0.033 0.000 1.352 52 E HN 0.893 nan 8.360 nan 0.000 0.399 53 E N 0.726 120.936 120.200 0.016 0.000 2.231 53 E HA 0.313 4.662 4.350 -0.001 0.000 0.277 53 E C -0.159 176.452 176.600 0.018 0.000 0.999 53 E CA -0.870 55.539 56.400 0.015 0.000 0.827 53 E CB 0.778 30.475 29.700 -0.005 0.000 1.101 53 E HN -0.005 nan 8.360 nan 0.000 0.393 54 L N 3.534 124.786 121.223 0.047 0.000 2.483 54 L HA 0.082 4.421 4.340 -0.001 0.000 0.275 54 L C -0.243 176.630 176.870 0.005 0.000 1.220 54 L CA 0.381 55.258 54.840 0.063 0.000 0.833 54 L CB 0.973 43.101 42.059 0.114 0.000 1.102 54 L HN 0.382 nan 8.230 nan 0.000 0.490 55 V N -0.602 119.306 119.914 -0.010 0.000 3.007 55 V HA 0.630 4.750 4.120 -0.001 0.000 0.311 55 V C -0.585 175.496 176.094 -0.022 0.000 1.120 55 V CA -0.929 61.327 62.300 -0.075 0.000 0.980 55 V CB 1.979 33.676 31.823 -0.210 0.000 1.033 55 V HN 0.728 nan 8.190 nan 0.000 0.429 56 E N 2.061 122.225 120.200 -0.061 0.000 2.175 56 E HA 0.570 4.919 4.350 -0.001 0.000 0.278 56 E C -1.522 175.024 176.600 -0.091 0.000 0.969 56 E CA -0.507 55.906 56.400 0.020 0.000 0.796 56 E CB 1.907 31.629 29.700 0.036 0.000 1.104 56 E HN 0.644 nan 8.360 nan 0.000 0.395 57 F N 0.748 120.704 119.950 0.010 0.000 2.378 57 F HA 0.025 4.552 4.527 -0.001 0.000 0.325 57 F C 1.974 177.782 175.800 0.014 0.000 1.097 57 F CA -0.202 57.804 58.000 0.009 0.000 1.079 57 F CB 1.249 40.253 39.000 0.007 0.000 1.240 57 F HN 0.488 nan 8.300 nan 0.000 0.519 58 S N -0.544 115.263 115.700 0.178 0.000 2.400 58 S HA -0.218 4.252 4.470 -0.001 0.000 0.232 58 S C 1.836 176.499 174.600 0.106 0.000 1.025 58 S CA 1.397 59.660 58.200 0.105 0.000 0.993 58 S CB -0.960 62.289 63.200 0.082 0.000 0.808 58 S HN 0.683 nan 8.310 nan 0.000 0.478 59 S N 0.351 116.132 115.700 0.135 0.000 2.489 59 S HA 0.423 4.892 4.470 -0.001 0.000 0.228 59 S C 1.726 176.379 174.600 0.087 0.000 0.995 59 S CA 0.649 58.903 58.200 0.091 0.000 0.934 59 S CB -0.506 62.735 63.200 0.068 0.000 0.771 59 S HN 1.462 nan 8.310 nan 0.000 0.522 60 G N 0.226 109.099 108.800 0.122 0.000 2.231 60 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.206 60 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.206 60 G C 0.145 175.122 174.900 0.127 0.000 0.996 60 G CA -0.139 45.025 45.100 0.107 0.000 0.645 60 G HN 0.937 nan 8.290 nan 0.000 0.498 61 V N 1.078 121.070 119.914 0.130 0.000 2.963 61 V HA 0.593 4.713 4.120 -0.001 0.000 0.306 61 V C 0.669 176.912 176.094 0.247 0.000 1.077 61 V CA 0.639 63.009 62.300 0.116 0.000 1.124 61 V CB 1.212 33.010 31.823 -0.042 0.000 0.987 61 V HN 0.383 nan 8.190 nan 0.000 0.487 62 K N 3.013 123.558 120.400 0.242 0.000 2.211 62 K HA 0.842 5.162 4.320 -0.001 0.000 0.237 62 K C -0.048 176.647 176.600 0.158 0.000 1.002 62 K CA 0.179 56.639 56.287 0.288 0.000 0.885 62 K CB 1.866 34.581 32.500 0.358 0.000 1.136 62 K HN 1.027 nan 8.250 nan 0.000 0.448 63 G N 0.140 108.930 108.800 -0.017 0.000 2.645 63 G HA2 0.553 4.513 3.960 -0.001 0.000 0.292 63 G HA3 0.553 4.513 3.960 -0.001 0.000 0.292 63 G C -1.877 172.729 174.900 -0.491 0.000 1.415 63 G CA -0.753 44.117 45.100 -0.384 0.000 0.785 63 G HN 0.483 nan 8.290 nan 0.000 0.483 64 M N 1.093 120.410 119.600 -0.472 0.000 2.204 64 M HA 0.660 5.139 4.480 -0.001 0.000 0.293 64 M C -0.246 176.003 176.300 -0.086 0.000 0.994 64 M CA -0.803 54.370 55.300 -0.211 0.000 0.925 64 M CB 1.838 34.358 32.600 -0.133 0.000 1.577 64 M HN 0.811 nan 8.290 nan 0.000 0.439 65 A N 5.739 128.534 122.820 -0.042 0.000 2.475 65 A HA 0.345 4.665 4.320 -0.001 0.000 0.293 65 A C 0.249 177.832 177.584 -0.001 0.000 1.252 65 A CA -0.185 51.837 52.037 -0.024 0.000 0.920 65 A CB -0.440 18.541 19.000 -0.031 0.000 1.125 65 A HN 1.080 nan 8.150 nan 0.000 0.528 66 L N 2.447 123.673 121.223 0.006 0.000 2.515 66 L HA 0.319 4.658 4.340 -0.001 0.000 0.223 66 L C 0.064 176.945 176.870 0.017 0.000 1.079 66 L CA 0.568 55.422 54.840 0.023 0.000 0.857 66 L CB 0.156 42.235 42.059 0.032 0.000 1.050 66 L HN 0.599 nan 8.230 nan 0.000 0.476 67 I N 1.041 121.615 120.570 0.007 0.000 2.447 67 I HA 0.258 4.427 4.170 -0.001 0.000 0.287 67 I C -0.936 175.178 176.117 -0.005 0.000 1.023 67 I CA -0.421 60.882 61.300 0.005 0.000 1.083 67 I CB 2.058 40.061 38.000 0.005 0.000 1.245 67 I HN -0.095 nan 8.210 nan 0.000 0.434 68 L N 6.465 127.684 121.223 -0.008 0.000 2.295 68 L HA 0.545 4.884 4.340 -0.001 0.000 0.281 68 L C -0.243 176.617 176.870 -0.018 0.000 1.018 68 L CA -0.442 54.386 54.840 -0.020 0.000 0.841 68 L CB 0.977 43.022 42.059 -0.023 0.000 1.218 68 L HN 0.597 nan 8.230 nan 0.000 0.424 69 E N 2.956 123.143 120.200 -0.021 0.000 2.264 69 E HA 0.363 4.712 4.350 -0.001 0.000 0.260 69 E C -1.670 174.913 176.600 -0.028 0.000 0.961 69 E CA -1.727 54.664 56.400 -0.016 0.000 0.834 69 E CB 1.668 31.366 29.700 -0.004 0.000 1.230 69 E HN 0.283 nan 8.360 nan 0.000 0.412 70 P HA -0.176 nan 4.420 nan 0.000 0.216 70 P C 0.940 178.217 177.300 -0.039 0.000 1.154 70 P CA 1.410 64.495 63.100 -0.025 0.000 0.865 70 P CB 0.153 31.850 31.700 -0.006 0.000 0.789 71 G N -2.135 106.658 108.800 -0.011 0.000 2.719 71 G HA2 0.069 4.029 3.960 -0.001 0.000 0.211 71 G HA3 0.069 4.029 3.960 -0.001 0.000 0.211 71 G C 0.429 175.311 174.900 -0.030 0.000 1.140 71 G CA 0.115 45.225 45.100 0.017 0.000 0.790 71 G HN 0.463 nan 8.290 nan 0.000 0.529 72 Q N -1.558 118.221 119.800 -0.035 0.000 2.685 72 Q HA 0.630 4.970 4.340 -0.001 0.000 0.301 72 Q C -2.206 173.774 176.000 -0.032 0.000 0.924 72 Q CA -0.881 54.913 55.803 -0.016 0.000 0.755 72 Q CB 1.922 30.703 28.738 0.072 0.000 1.470 72 Q HN -0.084 nan 8.270 nan 0.000 0.434 73 V N 0.558 120.461 119.914 -0.018 0.000 2.531 73 V HA 0.609 4.728 4.120 -0.001 0.000 0.301 73 V C 0.085 176.183 176.094 0.006 0.000 1.034 73 V CA -0.279 62.009 62.300 -0.019 0.000 0.865 73 V CB 1.693 33.490 31.823 -0.043 0.000 0.995 73 V HN 0.851 nan 8.190 nan 0.000 0.424 74 G N 5.277 114.081 108.800 0.006 0.000 2.354 74 G HA2 0.552 4.511 3.960 -0.001 0.000 0.266 74 G HA3 0.552 4.511 3.960 -0.001 0.000 0.266 74 G C -0.576 174.331 174.900 0.012 0.000 1.242 74 G CA -0.075 45.034 45.100 0.013 0.000 0.923 74 G HN 0.606 nan 8.290 nan 0.000 0.476 75 I N 3.084 123.672 120.570 0.031 0.000 2.439 75 I HA 0.167 4.337 4.170 -0.001 0.000 0.285 75 I C 0.289 176.411 176.117 0.009 0.000 1.021 75 I CA -1.101 60.216 61.300 0.028 0.000 1.091 75 I CB 2.181 40.236 38.000 0.091 0.000 1.242 75 I HN 0.389 nan 8.210 nan 0.000 0.439 76 V N 5.638 125.524 119.914 -0.046 0.000 2.555 76 V HA 0.377 4.496 4.120 -0.001 0.000 0.286 76 V C 0.085 176.077 176.094 -0.171 0.000 1.044 76 V CA -0.504 61.754 62.300 -0.070 0.000 1.026 76 V CB 0.645 32.453 31.823 -0.025 0.000 0.981 76 V HN 0.488 nan 8.190 nan 0.000 0.480 77 L N 3.999 125.154 121.223 -0.113 0.000 2.375 77 L HA 0.414 4.753 4.340 -0.001 0.000 0.271 77 L C 0.586 177.448 176.870 -0.014 0.000 1.107 77 L CA -0.403 54.351 54.840 -0.143 0.000 0.806 77 L CB 0.708 42.670 42.059 -0.160 0.000 1.146 77 L HN 0.571 nan 8.230 nan 0.000 0.447 78 F N 0.453 120.429 119.950 0.043 0.000 2.727 78 F HA 0.339 4.866 4.527 -0.001 0.000 0.302 78 F C 1.112 176.926 175.800 0.023 0.000 1.097 78 F CA -0.635 57.395 58.000 0.050 0.000 1.330 78 F CB 0.168 39.210 39.000 0.070 0.000 1.084 78 F HN 0.469 nan 8.300 nan 0.000 0.578 79 G N -1.309 107.577 108.800 0.143 0.000 0.000 79 G HA2 0.339 4.298 3.960 -0.001 0.000 0.000 79 G HA3 0.339 4.298 3.960 -0.001 0.000 0.000 79 G C -1.021 173.875 174.900 -0.006 0.000 0.000 79 G CA -0.756 44.384 45.100 0.067 0.000 0.000 79 G HN -0.159 nan 8.290 nan 0.000 0.000 80 S N -0.645 115.049 115.700 -0.010 0.000 2.575 80 S HA 0.078 4.547 4.470 -0.001 0.000 0.295 80 S C 1.042 175.597 174.600 -0.076 0.000 1.267 80 S CA 0.646 58.828 58.200 -0.030 0.000 1.074 80 S CB 0.226 63.417 63.200 -0.015 0.000 0.829 80 S HN 0.576 nan 8.310 nan 0.000 0.497 81 D N 3.531 123.884 120.400 -0.079 0.000 2.319 81 D HA 0.038 4.677 4.640 -0.001 0.000 0.230 81 D C 1.428 177.682 176.300 -0.076 0.000 1.094 81 D CA -0.063 53.871 54.000 -0.110 0.000 0.856 81 D CB -0.037 40.700 40.800 -0.104 0.000 0.915 81 D HN 0.595 nan 8.370 nan 0.000 0.517 82 R N 0.446 120.916 120.500 -0.051 0.000 2.148 82 R HA 0.054 4.394 4.340 -0.001 0.000 0.227 82 R C 1.399 177.676 176.300 -0.039 0.000 1.103 82 R CA 0.784 56.863 56.100 -0.035 0.000 0.983 82 R CB -0.181 30.107 30.300 -0.020 0.000 0.874 82 R HN 0.252 nan 8.270 nan 0.000 0.451 83 L N 0.485 121.674 121.223 -0.056 0.000 2.554 83 L HA 0.134 4.473 4.340 -0.001 0.000 0.226 83 L C -0.194 176.632 176.870 -0.074 0.000 1.137 83 L CA -0.187 54.622 54.840 -0.052 0.000 0.863 83 L CB 0.633 42.664 42.059 -0.046 0.000 0.985 83 L HN -0.053 nan 8.230 nan 0.000 0.451 84 V N -0.218 119.625 119.914 -0.119 0.000 2.547 84 V HA 0.377 4.497 4.120 -0.001 0.000 0.299 84 V C -0.084 175.991 176.094 -0.033 0.000 1.040 84 V CA -0.792 61.442 62.300 -0.110 0.000 0.913 84 V CB 1.888 33.535 31.823 -0.293 0.000 0.992 84 V HN 0.103 nan 8.190 nan 0.000 0.449 85 K N 1.490 121.902 120.400 0.020 0.000 2.480 85 K HA 0.458 4.778 4.320 -0.001 0.000 0.258 85 K C -0.725 175.905 176.600 0.049 0.000 0.990 85 K CA -0.879 55.423 56.287 0.026 0.000 0.857 85 K CB 2.634 35.149 32.500 0.024 0.000 1.384 85 K HN 0.778 nan 8.250 nan 0.000 0.446 86 E N 0.200 120.422 120.200 0.036 0.000 2.360 86 E HA 0.131 4.481 4.350 -0.001 0.000 0.269 86 E C 0.396 177.018 176.600 0.038 0.000 1.022 86 E CA 0.928 57.352 56.400 0.040 0.000 0.887 86 E CB 0.530 30.243 29.700 0.022 0.000 0.990 86 E HN 0.760 nan 8.360 nan 0.000 0.426 87 G N 3.684 112.509 108.800 0.043 0.000 2.217 87 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.246 87 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.246 87 G C 0.192 175.120 174.900 0.047 0.000 0.990 87 G CA 0.293 45.413 45.100 0.033 0.000 0.627 87 G HN 0.616 nan 8.290 nan 0.000 0.522 88 E N -0.342 119.901 120.200 0.071 0.000 2.422 88 E HA 0.424 4.773 4.350 -0.001 0.000 0.260 88 E C 0.112 176.756 176.600 0.075 0.000 1.108 88 E CA -0.278 56.175 56.400 0.088 0.000 0.943 88 E CB 1.023 30.809 29.700 0.143 0.000 0.961 88 E HN 0.341 nan 8.360 nan 0.000 0.443 89 L N 2.861 124.115 121.223 0.053 0.000 2.265 89 L HA 0.271 4.610 4.340 -0.001 0.000 0.289 89 L C -1.150 175.679 176.870 -0.068 0.000 1.033 89 L CA -0.605 54.237 54.840 0.003 0.000 0.814 89 L CB 0.914 42.977 42.059 0.006 0.000 1.203 89 L HN 0.188 nan 8.230 nan 0.000 0.423 90 V N 5.009 124.824 119.914 -0.166 0.000 2.532 90 V HA 0.472 4.592 4.120 -0.001 0.000 0.295 90 V C -0.085 175.864 176.094 -0.241 0.000 1.041 90 V CA -0.766 61.305 62.300 -0.383 0.000 0.926 90 V CB 1.596 33.064 31.823 -0.593 0.000 0.992 90 V HN 0.646 nan 8.190 nan 0.000 0.457 91 K N 3.583 123.839 120.400 -0.240 0.000 2.324 91 K HA 0.507 4.827 4.320 -0.001 0.000 0.253 91 K C -0.307 176.218 176.600 -0.125 0.000 0.932 91 K CA -0.814 55.392 56.287 -0.135 0.000 0.799 91 K CB 1.723 34.171 32.500 -0.086 0.000 1.154 91 K HN 0.645 nan 8.250 nan 0.000 0.425 92 R N 1.011 121.458 120.500 -0.088 0.000 2.734 92 R HA 0.036 4.375 4.340 -0.001 0.000 0.266 92 R C 0.620 176.895 176.300 -0.042 0.000 1.044 92 R CA 0.419 56.480 56.100 -0.065 0.000 1.128 92 R CB 0.538 30.808 30.300 -0.049 0.000 1.010 92 R HN 0.652 nan 8.270 nan 0.000 0.461 93 T N -0.211 114.328 114.554 -0.026 0.000 3.023 93 T HA 0.118 4.467 4.350 -0.001 0.000 0.249 93 T C 1.243 175.940 174.700 -0.004 0.000 1.050 93 T CA 0.508 62.604 62.100 -0.006 0.000 1.088 93 T CB 0.449 69.324 68.868 0.013 0.000 0.946 93 T HN 0.908 nan 8.240 nan 0.000 0.480 94 G N 2.122 110.916 108.800 -0.009 0.000 2.184 94 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.264 94 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.264 94 G C -0.052 174.849 174.900 0.002 0.000 0.975 94 G CA -0.030 45.066 45.100 -0.006 0.000 0.642 94 G HN 0.566 nan 8.290 nan 0.000 0.536 95 N N 0.748 119.454 118.700 0.009 0.000 2.424 95 N HA 0.534 5.273 4.740 -0.001 0.000 0.271 95 N C 0.292 175.818 175.510 0.026 0.000 0.985 95 N CA -1.059 52.002 53.050 0.019 0.000 0.921 95 N CB 1.099 39.602 38.487 0.027 0.000 1.149 95 N HN 0.055 nan 8.380 nan 0.000 0.492 96 I N 2.296 122.879 120.570 0.022 0.000 2.692 96 I HA 0.011 4.180 4.170 -0.001 0.000 0.284 96 I C 0.772 176.912 176.117 0.039 0.000 1.159 96 I CA -0.271 61.044 61.300 0.026 0.000 1.423 96 I CB 0.359 38.367 38.000 0.014 0.000 1.380 96 I HN 0.248 nan 8.210 nan 0.000 0.580 97 V N 6.389 126.337 119.914 0.057 0.000 2.681 97 V HA -0.040 4.080 4.120 -0.001 0.000 0.306 97 V C 0.312 176.429 176.094 0.038 0.000 1.077 97 V CA 0.403 62.749 62.300 0.075 0.000 1.224 97 V CB -0.467 31.419 31.823 0.104 0.000 0.879 97 V HN 0.957 nan 8.190 nan 0.000 0.494 98 D N 3.415 123.836 120.400 0.034 0.000 2.643 98 D HA 0.672 5.312 4.640 -0.001 0.000 0.283 98 D C -0.956 175.350 176.300 0.010 0.000 1.242 98 D CA -0.518 53.493 54.000 0.019 0.000 0.863 98 D CB 2.245 43.057 40.800 0.019 0.000 1.382 98 D HN 0.508 nan 8.370 nan 0.000 0.444 99 V N -4.299 115.618 119.914 0.005 0.000 3.007 99 V HA 0.701 4.821 4.120 -0.001 0.000 0.311 99 V C -2.886 173.201 176.094 -0.012 0.000 1.120 99 V CA -2.141 60.156 62.300 -0.005 0.000 0.980 99 V CB 1.842 33.662 31.823 -0.005 0.000 1.033 99 V HN 0.538 nan 8.190 nan 0.000 0.429 100 P HA 0.366 nan 4.420 nan 0.000 0.271 100 P C -0.512 176.746 177.300 -0.070 0.000 1.216 100 P CA 0.144 63.215 63.100 -0.047 0.000 0.771 100 P CB 1.380 33.049 31.700 -0.051 0.000 0.864 101 V N -0.462 119.385 119.914 -0.111 0.000 3.130 101 V HA 1.019 5.139 4.120 -0.001 0.000 0.310 101 V C -0.036 175.789 176.094 -0.448 0.000 1.158 101 V CA -0.302 61.887 62.300 -0.185 0.000 1.029 101 V CB 1.451 33.241 31.823 -0.056 0.000 1.057 101 V HN 0.982 nan 8.190 nan 0.000 0.436 102 G N 1.626 109.907 108.800 -0.865 0.000 2.354 102 G HA2 0.203 4.162 3.960 -0.001 0.000 0.582 102 G HA3 0.203 4.162 3.960 -0.001 0.000 0.582 102 G C -2.751 171.366 174.900 -1.305 0.000 1.316 102 G CA 0.020 44.148 45.100 -1.620 0.000 0.995 102 G HN 0.750 nan 8.290 nan 0.000 0.573 103 P HA 0.091 nan 4.420 nan 0.000 0.233 103 P C 1.813 178.939 177.300 -0.290 0.000 1.167 103 P CA 1.526 64.230 63.100 -0.659 0.000 0.770 103 P CB -0.080 31.325 31.700 -0.492 0.000 0.837 104 G N 0.465 109.079 108.800 -0.310 0.000 2.470 104 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.220 104 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.220 104 G C 1.350 176.186 174.900 -0.107 0.000 1.121 104 G CA 0.338 45.338 45.100 -0.167 0.000 0.766 104 G HN 0.208 nan 8.290 nan 0.000 0.553 105 L N 0.201 121.352 121.223 -0.121 0.000 2.217 105 L HA 0.215 4.555 4.340 -0.001 0.000 0.211 105 L C 1.374 178.253 176.870 0.015 0.000 1.107 105 L CA 0.177 54.989 54.840 -0.046 0.000 0.783 105 L CB -0.300 41.735 42.059 -0.039 0.000 0.919 105 L HN 0.113 nan 8.230 nan 0.000 0.442 106 L N -0.134 121.121 121.223 0.053 0.000 2.578 106 L HA 0.079 4.419 4.340 -0.001 0.000 0.279 106 L C 1.553 178.456 176.870 0.056 0.000 1.227 106 L CA 0.848 55.749 54.840 0.102 0.000 0.900 106 L CB -0.233 41.931 42.059 0.175 0.000 1.144 106 L HN 0.435 nan 8.230 nan 0.000 0.496 107 G N 1.819 110.643 108.800 0.040 0.000 2.284 107 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.247 107 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.247 107 G C 0.528 175.429 174.900 0.001 0.000 1.012 107 G CA -0.348 44.757 45.100 0.008 0.000 0.618 107 G HN 0.479 nan 8.290 nan 0.000 0.521 108 R N 0.116 120.620 120.500 0.007 0.000 2.577 108 R HA 0.631 4.970 4.340 -0.001 0.000 0.269 108 R C 0.079 176.383 176.300 0.006 0.000 1.084 108 R CA -0.281 55.820 56.100 0.002 0.000 1.163 108 R CB 0.801 31.099 30.300 -0.003 0.000 1.100 108 R HN 0.326 nan 8.270 nan 0.000 0.547 109 V N 1.569 121.486 119.914 0.005 0.000 2.495 109 V HA 0.478 4.598 4.120 -0.001 0.000 0.298 109 V C -0.010 176.088 176.094 0.007 0.000 1.031 109 V CA -0.832 61.475 62.300 0.011 0.000 0.871 109 V CB 1.712 33.542 31.823 0.012 0.000 0.988 109 V HN 0.617 nan 8.190 nan 0.000 0.432 110 V N 0.532 120.450 119.914 0.007 0.000 2.962 110 V HA 0.795 4.914 4.120 -0.001 0.000 0.313 110 V C -0.499 175.591 176.094 -0.007 0.000 1.099 110 V CA -0.880 61.419 62.300 -0.003 0.000 0.971 110 V CB 2.036 33.854 31.823 -0.009 0.000 1.028 110 V HN 0.843 nan 8.190 nan 0.000 0.430 111 D N 2.730 123.120 120.400 -0.016 0.000 2.414 111 D HA 0.434 5.074 4.640 -0.001 0.000 0.259 111 D C 1.308 177.579 176.300 -0.049 0.000 1.269 111 D CA 0.215 54.198 54.000 -0.029 0.000 1.028 111 D CB 1.005 41.785 40.800 -0.033 0.000 1.093 111 D HN 0.885 nan 8.370 nan 0.000 0.545 112 A N -0.573 122.202 122.820 -0.074 0.000 2.024 112 A HA -0.066 4.253 4.320 -0.001 0.000 0.220 112 A C 2.144 179.656 177.584 -0.121 0.000 1.164 112 A CA 0.963 52.941 52.037 -0.098 0.000 0.643 112 A CB -0.730 18.190 19.000 -0.132 0.000 0.806 112 A HN 0.547 nan 8.150 nan 0.000 0.451 113 L N -1.597 119.546 121.223 -0.135 0.000 2.667 113 L HA 0.254 4.594 4.340 -0.001 0.000 0.232 113 L C 1.555 178.389 176.870 -0.060 0.000 1.138 113 L CA 0.457 55.226 54.840 -0.118 0.000 0.921 113 L CB 0.076 42.045 42.059 -0.151 0.000 1.180 113 L HN 0.561 nan 8.230 nan 0.000 0.487 114 G N -0.175 108.596 108.800 -0.047 0.000 2.179 114 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.260 114 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.260 114 G C 0.208 175.093 174.900 -0.026 0.000 0.977 114 G CA -0.231 44.850 45.100 -0.031 0.000 0.641 114 G HN 0.397 nan 8.290 nan 0.000 0.533 115 N N 1.902 120.587 118.700 -0.026 0.000 2.492 115 N HA 0.341 5.081 4.740 -0.001 0.000 0.260 115 N C -2.579 172.923 175.510 -0.013 0.000 1.215 115 N CA -0.512 52.528 53.050 -0.016 0.000 0.923 115 N CB 1.014 39.494 38.487 -0.013 0.000 1.092 115 N HN 0.190 nan 8.380 nan 0.000 0.448 116 P HA 0.198 nan 4.420 nan 0.000 0.280 116 P C 0.376 177.674 177.300 -0.003 0.000 1.244 116 P CA -0.162 62.933 63.100 -0.007 0.000 0.784 116 P CB 0.483 32.178 31.700 -0.008 0.000 0.913 117 I N -0.851 119.719 120.570 -0.001 0.000 4.338 117 I HA 0.240 4.409 4.170 -0.001 0.000 0.329 117 I C 0.569 176.688 176.117 0.004 0.000 1.378 117 I CA -0.088 61.214 61.300 0.003 0.000 1.170 117 I CB 0.065 38.068 38.000 0.004 0.000 1.206 117 I HN 0.015 nan 8.210 nan 0.000 0.432 118 D N 1.629 122.030 120.400 0.002 0.000 2.328 118 D HA 0.103 4.742 4.640 -0.001 0.000 0.226 118 D C 1.547 177.847 176.300 -0.000 0.000 1.066 118 D CA 0.385 54.385 54.000 0.001 0.000 0.861 118 D CB -0.386 40.413 40.800 -0.001 0.000 0.912 118 D HN 0.430 nan 8.370 nan 0.000 0.521 119 G N 1.182 109.983 108.800 0.000 0.000 2.366 119 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.299 119 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.299 119 G C 0.523 175.422 174.900 -0.002 0.000 1.020 119 G CA 0.489 45.589 45.100 0.000 0.000 1.026 119 G HN 0.489 nan 8.290 nan 0.000 0.512 120 K N -0.348 120.050 120.400 -0.003 0.000 2.438 120 K HA 0.465 4.785 4.320 -0.001 0.000 0.205 120 K C 1.365 177.962 176.600 -0.005 0.000 1.033 120 K CA 0.103 56.387 56.287 -0.004 0.000 1.089 120 K CB 0.947 33.444 32.500 -0.005 0.000 0.857 120 K HN 1.441 nan 8.250 nan 0.000 0.522 121 G N 2.471 111.268 108.800 -0.005 0.000 2.627 121 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.214 121 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.214 121 G C -2.766 172.129 174.900 -0.009 0.000 1.331 121 G CA -1.222 43.875 45.100 -0.006 0.000 0.891 121 G HN -0.015 nan 8.290 nan 0.000 0.539 122 P HA 0.449 nan 4.420 nan 0.000 0.269 122 P C 0.232 177.519 177.300 -0.022 0.000 1.215 122 P CA -0.357 62.734 63.100 -0.015 0.000 0.780 122 P CB 0.361 32.053 31.700 -0.015 0.000 0.898 123 I N 1.622 122.175 120.570 -0.029 0.000 2.499 123 I HA 0.150 4.320 4.170 -0.001 0.000 0.296 123 I C 0.441 176.525 176.117 -0.055 0.000 0.992 123 I CA -0.233 61.041 61.300 -0.043 0.000 1.297 123 I CB 0.563 38.534 38.000 -0.048 0.000 1.410 123 I HN 0.209 nan 8.210 nan 0.000 0.507 124 D N 4.812 125.168 120.400 -0.072 0.000 2.494 124 D HA 0.347 4.987 4.640 -0.001 0.000 0.217 124 D C 0.193 176.413 176.300 -0.133 0.000 1.153 124 D CA -0.013 53.935 54.000 -0.088 0.000 0.954 124 D CB 0.693 41.443 40.800 -0.083 0.000 1.034 124 D HN 0.552 nan 8.370 nan 0.000 0.518 125 A N 1.529 124.280 122.820 -0.115 0.000 2.354 125 A HA 0.491 4.811 4.320 -0.001 0.000 0.281 125 A C 1.274 178.774 177.584 -0.140 0.000 1.174 125 A CA -0.325 51.627 52.037 -0.142 0.000 0.828 125 A CB 0.788 19.732 19.000 -0.093 0.000 1.099 125 A HN 0.477 nan 8.150 nan 0.000 0.516 126 A N 2.450 125.142 122.820 -0.213 0.000 2.206 126 A HA 0.497 4.817 4.320 -0.001 0.000 0.211 126 A C 1.164 178.724 177.584 -0.040 0.000 1.158 126 A CA 1.331 53.290 52.037 -0.130 0.000 0.761 126 A CB -0.366 18.526 19.000 -0.179 0.000 0.801 126 A HN 2.051 nan 8.150 nan 0.000 0.473 127 G N -1.296 107.469 108.800 -0.058 0.000 2.348 127 G HA2 0.494 4.454 3.960 -0.001 0.000 0.296 127 G HA3 0.494 4.454 3.960 -0.001 0.000 0.296 127 G C -1.401 173.490 174.900 -0.015 0.000 1.258 127 G CA -1.005 44.092 45.100 -0.005 0.000 0.868 127 G HN 0.109 nan 8.290 nan 0.000 0.488 128 R N 0.537 121.043 120.500 0.010 0.000 2.625 128 R HA 0.507 4.846 4.340 -0.001 0.000 0.286 128 R C -0.614 175.700 176.300 0.023 0.000 1.406 128 R CA -0.466 55.639 56.100 0.008 0.000 1.052 128 R CB 1.609 31.912 30.300 0.004 0.000 1.203 128 R HN 0.433 nan 8.270 nan 0.000 0.502 129 S N 1.691 117.411 115.700 0.033 0.000 2.592 129 S HA 0.284 4.754 4.470 -0.001 0.000 0.271 129 S C 0.583 175.199 174.600 0.027 0.000 1.326 129 S CA -0.464 57.760 58.200 0.039 0.000 1.024 129 S CB 1.074 64.309 63.200 0.059 0.000 0.921 129 S HN 0.366 nan 8.310 nan 0.000 0.527 130 R N 0.385 120.899 120.500 0.023 0.000 2.774 130 R HA 0.253 4.593 4.340 -0.001 0.000 0.269 130 R C 1.391 177.698 176.300 0.013 0.000 1.068 130 R CA 0.173 56.281 56.100 0.013 0.000 1.180 130 R CB 0.121 30.424 30.300 0.004 0.000 1.077 130 R HN 0.774 nan 8.270 nan 0.000 0.513 131 A N 1.637 124.456 122.820 -0.003 0.000 1.897 131 A HA -0.074 4.246 4.320 -0.001 0.000 0.215 131 A C 0.418 177.979 177.584 -0.040 0.000 1.181 131 A CA 1.190 53.220 52.037 -0.012 0.000 0.620 131 A CB 0.165 19.142 19.000 -0.039 0.000 0.821 131 A HN 0.518 nan 8.150 nan 0.000 0.443 132 Q N 0.761 120.507 119.800 -0.090 0.000 2.509 132 Q HA 0.439 4.778 4.340 -0.001 0.000 0.236 132 Q C -1.214 174.753 176.000 -0.054 0.000 1.073 132 Q CA -0.121 55.602 55.803 -0.133 0.000 0.867 132 Q CB 1.301 29.903 28.738 -0.227 0.000 1.181 132 Q HN 0.231 nan 8.270 nan 0.000 0.526 133 V N 2.044 121.952 119.914 -0.010 0.000 2.617 133 V HA 0.285 4.404 4.120 -0.001 0.000 0.298 133 V C 0.649 176.747 176.094 0.008 0.000 1.048 133 V CA -0.765 61.539 62.300 0.007 0.000 0.964 133 V CB 1.597 33.437 31.823 0.028 0.000 1.004 133 V HN 0.531 nan 8.190 nan 0.000 0.466 134 K N 1.747 122.154 120.400 0.012 0.000 2.336 134 K HA 0.475 4.795 4.320 -0.001 0.000 0.262 134 K C 0.272 176.886 176.600 0.025 0.000 0.992 134 K CA 0.053 56.352 56.287 0.020 0.000 0.927 134 K CB 0.548 33.062 32.500 0.023 0.000 0.956 134 K HN 0.889 nan 8.250 nan 0.000 0.495 135 A N 3.080 125.917 122.820 0.029 0.000 2.287 135 A HA 0.397 4.717 4.320 -0.001 0.000 0.273 135 A C -2.251 175.350 177.584 0.027 0.000 1.091 135 A CA -1.313 50.741 52.037 0.029 0.000 0.817 135 A CB -0.145 18.872 19.000 0.029 0.000 1.069 135 A HN 0.458 nan 8.150 nan 0.000 0.492 136 P HA 0.348 nan 4.420 nan 0.000 0.275 136 P C 0.531 177.845 177.300 0.024 0.000 1.227 136 P CA 0.152 63.265 63.100 0.022 0.000 0.781 136 P CB 0.963 32.676 31.700 0.020 0.000 0.906 137 G N 1.264 110.077 108.800 0.022 0.000 2.486 137 G HA2 0.073 4.033 3.960 -0.001 0.000 0.272 137 G HA3 0.073 4.033 3.960 -0.001 0.000 0.272 137 G C 0.944 175.858 174.900 0.022 0.000 1.426 137 G CA -0.411 44.703 45.100 0.023 0.000 1.058 137 G HN 0.346 nan 8.290 nan 0.000 0.531 138 I N -0.827 119.756 120.570 0.021 0.000 2.286 138 I HA -0.074 4.095 4.170 -0.001 0.000 0.248 138 I C 2.534 178.660 176.117 0.015 0.000 1.115 138 I CA 0.663 61.975 61.300 0.019 0.000 1.392 138 I CB -0.420 37.591 38.000 0.019 0.000 1.065 138 I HN 0.294 nan 8.210 nan 0.000 0.418 139 L N 1.288 122.519 121.223 0.013 0.000 1.982 139 L HA 0.004 4.343 4.340 -0.001 0.000 0.206 139 L C -0.938 175.937 176.870 0.008 0.000 1.078 139 L CA 1.406 56.252 54.840 0.009 0.000 0.749 139 L CB -1.449 40.614 42.059 0.007 0.000 0.894 139 L HN 0.130 nan 8.230 nan 0.000 0.436 140 P HA 0.010 nan 4.420 nan 0.000 0.237 140 P C -0.810 176.497 177.300 0.012 0.000 1.701 140 P CA 0.598 63.702 63.100 0.007 0.000 0.955 140 P CB -0.256 31.447 31.700 0.005 0.000 1.937 141 R N 0.344 120.852 120.500 0.014 0.000 2.739 141 R HA 0.598 4.937 4.340 -0.001 0.000 0.271 141 R C -0.508 175.802 176.300 0.018 0.000 1.010 141 R CA -0.858 55.255 56.100 0.020 0.000 0.897 141 R CB 2.791 33.104 30.300 0.021 0.000 1.236 141 R HN 0.072 nan 8.270 nan 0.000 0.466 142 R N 0.568 121.085 120.500 0.028 0.000 2.673 142 R HA 0.378 4.717 4.340 -0.001 0.000 0.281 142 R C -0.992 175.329 176.300 0.036 0.000 0.991 142 R CA -0.460 55.653 56.100 0.020 0.000 0.896 142 R CB 2.131 32.452 30.300 0.036 0.000 1.201 142 R HN 0.639 nan 8.270 nan 0.000 0.457 143 S N 1.483 117.188 115.700 0.008 0.000 2.563 143 S HA 0.034 4.504 4.470 -0.001 0.000 0.284 143 S C -0.107 174.564 174.600 0.118 0.000 1.331 143 S CA -0.372 57.846 58.200 0.030 0.000 1.047 143 S CB 0.822 64.017 63.200 -0.008 0.000 0.859 143 S HN 0.351 nan 8.310 nan 0.000 0.514 144 V N 5.533 125.508 119.914 0.102 0.000 2.439 144 V HA 0.141 4.261 4.120 -0.001 0.000 0.271 144 V C 1.156 177.340 176.094 0.149 0.000 1.040 144 V CA 0.208 62.573 62.300 0.109 0.000 1.002 144 V CB -0.136 31.709 31.823 0.035 0.000 1.000 144 V HN 1.055 nan 8.190 nan 0.000 0.477 145 H N 2.150 121.191 119.070 -0.049 0.000 3.771 145 H HA 0.307 4.863 4.556 -0.001 0.000 0.260 145 H C 0.100 175.383 175.328 -0.075 0.000 1.158 145 H CA -0.456 55.562 56.048 -0.051 0.000 1.170 145 H CB 0.589 30.327 29.762 -0.040 0.000 1.539 145 H HN 0.574 nan 8.280 nan 0.000 0.634 146 E N 3.904 123.785 120.200 -0.532 0.000 2.174 146 E HA 0.347 4.697 4.350 -0.001 0.000 0.282 146 E C -2.705 173.714 176.600 -0.301 0.000 0.992 146 E CA -2.117 54.002 56.400 -0.469 0.000 0.803 146 E CB 1.716 31.061 29.700 -0.591 0.000 1.090 146 E HN 0.191 nan 8.360 nan 0.000 0.396 147 P HA -0.005 nan 4.420 nan 0.000 0.271 147 P C -0.827 176.313 177.300 -0.266 0.000 1.220 147 P CA -0.187 62.789 63.100 -0.206 0.000 0.768 147 P CB 0.616 32.215 31.700 -0.167 0.000 0.848 148 V N 5.293 125.085 119.914 -0.203 0.000 2.334 148 V HA 0.140 4.260 4.120 -0.001 0.000 0.267 148 V C 0.478 176.490 176.094 -0.137 0.000 1.040 148 V CA -0.191 61.988 62.300 -0.201 0.000 0.866 148 V CB 0.303 32.043 31.823 -0.138 0.000 1.019 148 V HN 0.487 nan 8.190 nan 0.000 0.468 149 Q N 2.351 122.058 119.800 -0.154 0.000 2.279 149 Q HA 0.242 4.582 4.340 -0.001 0.000 0.256 149 Q C 1.169 177.208 176.000 0.065 0.000 0.937 149 Q CA 0.029 55.825 55.803 -0.010 0.000 0.933 149 Q CB 1.472 30.266 28.738 0.094 0.000 1.189 149 Q HN 0.921 nan 8.270 nan 0.000 0.417 150 T N -1.361 113.224 114.554 0.051 0.000 3.044 150 T HA 0.177 4.526 4.350 -0.001 0.000 0.255 150 T C 1.383 176.119 174.700 0.060 0.000 1.073 150 T CA 0.525 62.653 62.100 0.046 0.000 1.125 150 T CB 0.145 69.025 68.868 0.019 0.000 0.908 150 T HN 0.878 nan 8.240 nan 0.000 0.480 151 G N 1.700 110.544 108.800 0.073 0.000 2.253 151 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.251 151 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.251 151 G C 0.061 174.987 174.900 0.043 0.000 0.998 151 G CA 0.084 45.222 45.100 0.063 0.000 0.621 151 G HN 0.656 nan 8.290 nan 0.000 0.524 152 L N 1.321 122.564 121.223 0.033 0.000 2.433 152 L HA 0.307 4.647 4.340 -0.001 0.000 0.284 152 L C 1.865 178.757 176.870 0.036 0.000 1.120 152 L CA -0.355 54.500 54.840 0.026 0.000 0.879 152 L CB 0.571 42.639 42.059 0.014 0.000 1.232 152 L HN 0.097 nan 8.230 nan 0.000 0.454 153 K N 2.569 122.994 120.400 0.042 0.000 2.127 153 K HA -0.302 4.018 4.320 -0.001 0.000 0.212 153 K C 2.022 178.651 176.600 0.048 0.000 1.050 153 K CA 2.006 58.323 56.287 0.051 0.000 0.929 153 K CB -0.147 32.386 32.500 0.056 0.000 0.715 153 K HN 0.828 nan 8.250 nan 0.000 0.457 154 A N 0.592 123.437 122.820 0.043 0.000 1.897 154 A HA -0.068 4.251 4.320 -0.001 0.000 0.215 154 A C 2.364 179.974 177.584 0.044 0.000 1.181 154 A CA 1.130 53.194 52.037 0.045 0.000 0.620 154 A CB -0.368 18.659 19.000 0.044 0.000 0.821 154 A HN 0.078 nan 8.150 nan 0.000 0.443 155 V N 0.634 120.570 119.914 0.037 0.000 2.270 155 V HA -0.181 3.939 4.120 -0.001 0.000 0.245 155 V C 1.825 177.937 176.094 0.030 0.000 1.043 155 V CA 2.241 64.560 62.300 0.031 0.000 1.014 155 V CB -0.674 31.161 31.823 0.019 0.000 0.645 155 V HN 0.471 nan 8.190 nan 0.000 0.447 156 D N -0.124 120.295 120.400 0.032 0.000 2.371 156 D HA 0.045 4.684 4.640 -0.001 0.000 0.221 156 D C 1.828 178.150 176.300 0.037 0.000 0.986 156 D CA 1.139 55.157 54.000 0.031 0.000 0.899 156 D CB 0.160 40.982 40.800 0.036 0.000 0.902 156 D HN 0.462 nan 8.370 nan 0.000 0.530 157 A N -0.460 122.387 122.820 0.044 0.000 1.973 157 A HA 0.160 4.479 4.320 -0.001 0.000 0.210 157 A C 1.974 179.587 177.584 0.049 0.000 1.200 157 A CA 0.343 52.409 52.037 0.049 0.000 0.707 157 A CB 0.070 19.103 19.000 0.055 0.000 0.862 157 A HN 0.181 nan 8.150 nan 0.000 0.461 158 L N -0.938 120.315 121.223 0.050 0.000 2.577 158 L HA 0.188 4.528 4.340 -0.001 0.000 0.225 158 L C 0.308 177.208 176.870 0.051 0.000 1.053 158 L CA 0.374 55.247 54.840 0.055 0.000 0.866 158 L CB 0.754 42.851 42.059 0.064 0.000 1.132 158 L HN 0.198 nan 8.230 nan 0.000 0.486 159 V N -2.368 117.572 119.914 0.043 0.000 2.405 159 V HA 0.456 4.575 4.120 -0.001 0.000 0.253 159 V C -2.920 173.185 176.094 0.019 0.000 0.963 159 V CA -1.833 60.488 62.300 0.035 0.000 1.003 159 V CB 0.097 31.942 31.823 0.038 0.000 1.251 159 V HN -0.084 nan 8.190 nan 0.000 0.520 160 P HA 0.448 nan 4.420 nan 0.000 0.282 160 P C -0.181 177.113 177.300 -0.011 0.000 1.274 160 P CA 0.156 63.258 63.100 0.002 0.000 0.770 160 P CB 0.854 32.557 31.700 0.004 0.000 0.867 161 I N 3.009 123.565 120.570 -0.023 0.000 2.312 161 I HA 0.350 4.520 4.170 -0.001 0.000 0.291 161 I C 1.336 177.417 176.117 -0.059 0.000 1.031 161 I CA -0.002 61.278 61.300 -0.035 0.000 1.293 161 I CB 0.900 38.879 38.000 -0.035 0.000 1.403 161 I HN 0.347 nan 8.210 nan 0.000 0.484 162 G N 5.257 114.022 108.800 -0.057 0.000 2.522 162 G HA2 0.498 4.457 3.960 -0.001 0.000 0.304 162 G HA3 0.498 4.457 3.960 -0.001 0.000 0.304 162 G C -0.373 174.469 174.900 -0.098 0.000 1.210 162 G CA -0.793 44.256 45.100 -0.085 0.000 0.960 162 G HN 0.528 nan 8.290 nan 0.000 0.497 163 R N -0.495 119.920 120.500 -0.142 0.000 2.248 163 R HA 0.458 4.797 4.340 -0.001 0.000 0.328 163 R C 1.009 177.267 176.300 -0.069 0.000 1.067 163 R CA 1.248 57.262 56.100 -0.144 0.000 0.924 163 R CB 0.802 30.941 30.300 -0.268 0.000 1.013 163 R HN 1.040 nan 8.270 nan 0.000 0.454 164 G N 1.896 110.680 108.800 -0.028 0.000 2.179 164 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.220 164 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.220 164 G C 0.098 175.002 174.900 0.006 0.000 0.990 164 G CA -0.278 44.827 45.100 0.007 0.000 0.646 164 G HN 0.553 nan 8.290 nan 0.000 0.517 165 Q N -0.178 119.617 119.800 -0.008 0.000 2.312 165 Q HA 0.680 5.020 4.340 -0.001 0.000 0.236 165 Q C -0.041 175.959 176.000 -0.001 0.000 0.965 165 Q CA -0.495 55.304 55.803 -0.006 0.000 0.894 165 Q CB 0.435 29.163 28.738 -0.017 0.000 1.225 165 Q HN 0.298 nan 8.270 nan 0.000 0.478 166 R N 2.031 122.531 120.500 0.000 0.000 2.371 166 R HA 0.275 4.614 4.340 -0.001 0.000 0.312 166 R C -1.486 174.804 176.300 -0.017 0.000 0.980 166 R CA -0.487 55.612 56.100 -0.002 0.000 0.867 166 R CB 1.469 31.768 30.300 -0.002 0.000 1.163 166 R HN 0.381 nan 8.270 nan 0.000 0.492 167 E N 2.838 123.023 120.200 -0.025 0.000 2.145 167 E HA 0.250 4.599 4.350 -0.001 0.000 0.262 167 E C -1.391 175.169 176.600 -0.066 0.000 0.883 167 E CA -0.929 55.445 56.400 -0.043 0.000 0.748 167 E CB 0.922 30.599 29.700 -0.037 0.000 1.140 167 E HN 0.322 nan 8.360 nan 0.000 0.417 168 L N 5.754 126.916 121.223 -0.102 0.000 2.367 168 L HA 0.425 4.765 4.340 -0.001 0.000 0.275 168 L C -0.818 175.949 176.870 -0.173 0.000 1.129 168 L CA 0.165 54.921 54.840 -0.139 0.000 0.839 168 L CB 0.411 42.363 42.059 -0.177 0.000 1.133 168 L HN 0.634 nan 8.230 nan 0.000 0.453 169 I N 7.000 127.490 120.570 -0.134 0.000 2.312 169 I HA 0.390 4.560 4.170 -0.001 0.000 0.290 169 I C -0.183 175.850 176.117 -0.140 0.000 1.008 169 I CA -0.181 61.042 61.300 -0.128 0.000 1.226 169 I CB 1.160 39.120 38.000 -0.068 0.000 1.371 169 I HN 0.588 nan 8.210 nan 0.000 0.468 170 I N 5.005 125.466 120.570 -0.183 0.000 2.865 170 I HA 0.903 5.072 4.170 -0.001 0.000 0.302 170 I C -0.227 175.872 176.117 -0.029 0.000 1.140 170 I CA -0.050 61.168 61.300 -0.138 0.000 1.021 170 I CB 2.220 40.073 38.000 -0.245 0.000 1.233 170 I HN 0.713 nan 8.210 nan 0.000 0.427 171 G N 4.422 113.239 108.800 0.028 0.000 2.341 171 G HA2 0.124 4.084 3.960 -0.001 0.000 0.293 171 G HA3 0.124 4.084 3.960 -0.001 0.000 0.293 171 G C -2.020 172.906 174.900 0.043 0.000 1.298 171 G CA -0.832 44.309 45.100 0.068 0.000 0.868 171 G HN 0.521 nan 8.290 nan 0.000 0.540 172 D N 0.388 120.811 120.400 0.039 0.000 2.371 172 D HA 0.434 5.074 4.640 -0.001 0.000 0.242 172 D C 1.224 177.520 176.300 -0.007 0.000 1.218 172 D CA -0.139 53.874 54.000 0.022 0.000 0.945 172 D CB 0.459 41.275 40.800 0.026 0.000 1.137 172 D HN 0.686 nan 8.370 nan 0.000 0.464 173 R N 0.828 121.326 120.500 -0.003 0.000 2.585 173 R HA 0.022 4.362 4.340 -0.001 0.000 0.275 173 R C -0.190 176.075 176.300 -0.059 0.000 1.018 173 R CA -0.144 55.947 56.100 -0.016 0.000 1.072 173 R CB 0.035 30.336 30.300 0.002 0.000 0.953 173 R HN 0.215 nan 8.270 nan 0.000 0.419 174 Q N 0.284 120.033 119.800 -0.085 0.000 2.478 174 Q HA -0.136 4.204 4.340 -0.001 0.000 0.286 174 Q C -0.147 175.615 176.000 -0.398 0.000 1.299 174 Q CA 1.687 57.388 55.803 -0.171 0.000 0.826 174 Q CB -1.837 26.831 28.738 -0.118 0.000 1.199 174 Q HN 1.028 nan 8.270 nan 0.000 0.451 175 T N -4.807 109.566 114.554 -0.302 0.000 3.132 175 T HA 0.472 4.822 4.350 -0.001 0.000 0.274 175 T C 1.006 175.622 174.700 -0.141 0.000 1.011 175 T CA 0.570 62.449 62.100 -0.369 0.000 0.899 175 T CB 1.100 69.882 68.868 -0.142 0.000 1.089 175 T HN 0.884 nan 8.240 nan 0.000 0.543 176 G N 1.958 110.705 108.800 -0.088 0.000 2.164 176 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.212 176 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.212 176 G C 0.631 175.533 174.900 0.004 0.000 1.031 176 G CA 0.204 45.319 45.100 0.024 0.000 0.730 176 G HN 0.501 nan 8.290 nan 0.000 0.501 177 K N -0.633 119.760 120.400 -0.012 0.000 2.007 177 K HA -0.023 4.297 4.320 -0.001 0.000 0.206 177 K C 2.544 179.146 176.600 0.002 0.000 1.047 177 K CA 1.769 58.052 56.287 -0.007 0.000 0.937 177 K CB -0.263 32.231 32.500 -0.009 0.000 0.718 177 K HN 0.309 nan 8.250 nan 0.000 0.438 178 T N 1.373 115.936 114.554 0.015 0.000 2.867 178 T HA -0.072 4.277 4.350 -0.001 0.000 0.268 178 T C 2.016 176.699 174.700 -0.030 0.000 1.057 178 T CA 1.093 63.213 62.100 0.033 0.000 1.136 178 T CB -0.203 68.700 68.868 0.060 0.000 0.874 178 T HN 0.287 nan 8.240 nan 0.000 0.466 179 A N 1.084 123.871 122.820 -0.056 0.000 1.940 179 A HA -0.075 4.244 4.320 -0.001 0.000 0.219 179 A C 2.564 180.078 177.584 -0.116 0.000 1.176 179 A CA 1.378 53.340 52.037 -0.125 0.000 0.631 179 A CB -1.023 17.920 19.000 -0.094 0.000 0.814 179 A HN 0.368 nan 8.150 nan 0.000 0.446 180 V N -0.582 119.298 119.914 -0.057 0.000 2.323 180 V HA -0.168 3.952 4.120 -0.001 0.000 0.244 180 V C 3.009 179.079 176.094 -0.041 0.000 1.041 180 V CA 1.873 64.147 62.300 -0.043 0.000 1.025 180 V CB -0.935 30.877 31.823 -0.019 0.000 0.656 180 V HN 0.610 nan 8.190 nan 0.000 0.451 181 A N -0.524 122.282 122.820 -0.025 0.000 1.968 181 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 181 A C 2.098 179.668 177.584 -0.023 0.000 1.169 181 A CA 1.646 53.680 52.037 -0.005 0.000 0.638 181 A CB -0.444 18.578 19.000 0.036 0.000 0.812 181 A HN 0.468 nan 8.150 nan 0.000 0.446 182 L N -0.117 121.064 121.223 -0.069 0.000 2.093 182 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 182 L C 1.411 178.206 176.870 -0.125 0.000 1.085 182 L CA 2.377 57.142 54.840 -0.125 0.000 0.755 182 L CB -0.404 41.543 42.059 -0.187 0.000 0.904 182 L HN 0.317 nan 8.230 nan 0.000 0.435 183 D N -1.484 118.837 120.400 -0.132 0.000 2.269 183 D HA -0.109 4.530 4.640 -0.001 0.000 0.208 183 D C 1.946 178.226 176.300 -0.034 0.000 0.963 183 D CA 1.290 55.223 54.000 -0.111 0.000 0.864 183 D CB 0.138 40.863 40.800 -0.124 0.000 0.936 183 D HN 0.359 nan 8.370 nan 0.000 0.505 184 T N 0.135 114.679 114.554 -0.016 0.000 2.770 184 T HA -0.032 4.317 4.350 -0.001 0.000 0.263 184 T C 2.085 176.818 174.700 0.055 0.000 1.039 184 T CA 0.495 62.608 62.100 0.023 0.000 1.142 184 T CB -0.137 68.738 68.868 0.011 0.000 0.868 184 T HN 0.129 nan 8.240 nan 0.000 0.435 185 I N 1.083 121.682 120.570 0.047 0.000 2.127 185 I HA -0.186 3.984 4.170 -0.001 0.000 0.241 185 I C 2.422 178.642 176.117 0.171 0.000 1.075 185 I CA 1.320 62.686 61.300 0.111 0.000 1.334 185 I CB -0.551 37.478 38.000 0.049 0.000 1.040 185 I HN 0.189 nan 8.210 nan 0.000 0.405 186 L N 0.436 121.698 121.223 0.064 0.000 1.997 186 L HA -0.316 4.024 4.340 -0.001 0.000 0.216 186 L C 2.449 179.397 176.870 0.130 0.000 1.074 186 L CA 2.059 56.941 54.840 0.070 0.000 0.763 186 L CB -0.993 41.029 42.059 -0.062 0.000 0.890 186 L HN 0.388 nan 8.230 nan 0.000 0.434 187 N N -0.192 118.561 118.700 0.088 0.000 2.094 187 N HA -0.226 4.514 4.740 -0.001 0.000 0.191 187 N C 1.793 177.360 175.510 0.095 0.000 1.023 187 N CA 1.294 54.392 53.050 0.079 0.000 0.857 187 N CB -0.082 38.466 38.487 0.101 0.000 1.013 187 N HN 0.227 nan 8.380 nan 0.000 0.426 188 Q N 0.592 120.494 119.800 0.170 0.000 2.449 188 Q HA -0.156 4.184 4.340 -0.001 0.000 0.214 188 Q C 1.663 177.624 176.000 -0.065 0.000 0.986 188 Q CA 0.660 56.577 55.803 0.189 0.000 0.893 188 Q CB -0.304 28.434 28.738 -0.001 0.000 0.940 188 Q HN 0.544 nan 8.270 nan 0.000 0.477 189 K N 1.056 121.425 120.400 -0.052 0.000 2.127 189 K HA -0.202 4.117 4.320 -0.001 0.000 0.208 189 K C 1.924 178.406 176.600 -0.198 0.000 1.047 189 K CA 1.292 57.548 56.287 -0.051 0.000 0.927 189 K CB 0.040 32.606 32.500 0.110 0.000 0.716 189 K HN 0.182 nan 8.250 nan 0.000 0.450 190 R N -0.736 119.531 120.500 -0.387 0.000 2.119 190 R HA -0.181 4.159 4.340 -0.001 0.000 0.246 190 R C 2.019 177.911 176.300 -0.681 0.000 1.146 190 R CA 1.996 57.669 56.100 -0.712 0.000 0.962 190 R CB -0.196 29.283 30.300 -1.369 0.000 0.863 190 R HN 0.462 nan 8.270 nan 0.000 0.442 191 W N -0.628 120.582 121.300 -0.149 0.000 2.907 191 W HA 0.184 4.843 4.660 -0.001 0.000 0.271 191 W C 1.249 177.643 176.519 -0.209 0.000 1.253 191 W CA -0.463 56.789 57.345 -0.156 0.000 1.501 191 W CB -0.332 29.034 29.460 -0.156 0.000 1.047 191 W HN 0.085 nan 8.180 nan 0.000 0.610 192 N N 0.907 119.531 118.700 -0.127 0.000 2.459 192 N HA -0.104 4.635 4.740 -0.001 0.000 0.181 192 N C 1.176 176.612 175.510 -0.123 0.000 1.046 192 N CA 0.781 53.654 53.050 -0.294 0.000 0.904 192 N CB -0.413 37.587 38.487 -0.811 0.000 0.964 192 N HN 0.190 nan 8.380 nan 0.000 0.444 193 N N 0.313 118.969 118.700 -0.074 0.000 2.415 193 N HA 0.004 4.744 4.740 -0.001 0.000 0.176 193 N C 0.990 176.493 175.510 -0.012 0.000 1.042 193 N CA 0.150 53.188 53.050 -0.020 0.000 0.902 193 N CB 0.257 38.730 38.487 -0.023 0.000 0.986 193 N HN 0.121 nan 8.380 nan 0.000 0.447 194 G N -0.155 108.636 108.800 -0.016 0.000 2.634 194 G HA2 0.097 4.056 3.960 -0.001 0.000 0.255 194 G HA3 0.097 4.056 3.960 -0.001 0.000 0.255 194 G C 0.946 175.865 174.900 0.031 0.000 1.205 194 G CA -0.119 44.987 45.100 0.010 0.000 0.884 194 G HN 0.150 nan 8.290 nan 0.000 0.549 195 S N -0.552 115.171 115.700 0.038 0.000 2.371 195 S HA -0.115 4.355 4.470 -0.001 0.000 0.224 195 S C 1.097 175.734 174.600 0.061 0.000 1.029 195 S CA 0.914 59.143 58.200 0.049 0.000 0.978 195 S CB -0.413 62.812 63.200 0.041 0.000 0.833 195 S HN 0.606 nan 8.310 nan 0.000 0.466 196 D N 1.847 122.283 120.400 0.061 0.000 2.660 196 D HA -0.074 4.566 4.640 -0.001 0.000 0.253 196 D C 0.769 177.115 176.300 0.077 0.000 1.256 196 D CA 0.381 54.421 54.000 0.067 0.000 0.914 196 D CB 0.687 41.530 40.800 0.073 0.000 1.137 196 D HN 0.514 nan 8.370 nan 0.000 0.542 197 E N 1.657 121.909 120.200 0.087 0.000 2.435 197 E HA -0.071 4.279 4.350 -0.001 0.000 0.195 197 E C 1.406 178.083 176.600 0.128 0.000 1.029 197 E CA 0.648 57.120 56.400 0.120 0.000 0.865 197 E CB 0.155 29.931 29.700 0.126 0.000 0.833 197 E HN 0.341 nan 8.360 nan 0.000 0.510 198 S N -1.264 114.503 115.700 0.110 0.000 2.540 198 S HA 0.214 4.683 4.470 -0.001 0.000 0.218 198 S C 1.422 176.090 174.600 0.113 0.000 0.977 198 S CA -0.371 57.929 58.200 0.167 0.000 0.918 198 S CB 0.200 63.484 63.200 0.141 0.000 0.806 198 S HN 0.076 nan 8.310 nan 0.000 0.496 199 K N 1.019 121.439 120.400 0.033 0.000 2.334 199 K HA 0.238 4.558 4.320 -0.001 0.000 0.195 199 K C 0.387 176.912 176.600 -0.125 0.000 1.045 199 K CA 0.096 56.322 56.287 -0.101 0.000 1.004 199 K CB 0.217 32.688 32.500 -0.047 0.000 0.837 199 K HN 0.287 nan 8.250 nan 0.000 0.510 200 K N 1.072 121.456 120.400 -0.027 0.000 2.344 200 K HA 0.089 4.409 4.320 -0.001 0.000 0.260 200 K C -0.611 175.879 176.600 -0.183 0.000 0.988 200 K CA 0.115 56.313 56.287 -0.148 0.000 0.909 200 K CB 0.384 32.727 32.500 -0.261 0.000 0.968 200 K HN -0.135 nan 8.250 nan 0.000 0.505 201 L N 2.499 123.511 121.223 -0.352 0.000 2.541 201 L HA 0.271 4.611 4.340 -0.001 0.000 0.266 201 L C -1.689 174.960 176.870 -0.368 0.000 0.966 201 L CA -0.305 54.389 54.840 -0.244 0.000 0.871 201 L CB 0.944 42.902 42.059 -0.167 0.000 1.232 201 L HN 0.439 nan 8.230 nan 0.000 0.408 202 Y N 2.948 123.131 120.300 -0.196 0.000 2.299 202 Y HA 0.473 5.023 4.550 -0.001 0.000 0.326 202 Y C 0.361 176.138 175.900 -0.206 0.000 1.164 202 Y CA -0.116 57.814 58.100 -0.284 0.000 1.234 202 Y CB 1.138 39.091 38.460 -0.844 0.000 1.219 202 Y HN 0.473 nan 8.280 nan 0.000 0.497 203 C N 3.114 122.470 119.300 0.093 0.000 2.382 203 C HA 0.704 5.163 4.460 -0.001 0.000 0.327 203 C C -0.340 174.671 174.990 0.035 0.000 1.250 203 C CA -1.032 58.028 59.018 0.071 0.000 1.707 203 C CB 0.558 28.386 27.740 0.147 0.000 2.272 203 C HN 0.556 nan 8.230 nan 0.000 0.506 204 V N 3.572 123.492 119.914 0.009 0.000 2.444 204 V HA 0.315 4.435 4.120 -0.001 0.000 0.294 204 V C -0.957 175.141 176.094 0.007 0.000 1.022 204 V CA -0.572 61.733 62.300 0.009 0.000 0.850 204 V CB 1.229 33.041 31.823 -0.018 0.000 0.992 204 V HN 0.814 nan 8.190 nan 0.000 0.426 205 Y N 4.940 125.191 120.300 -0.082 0.000 2.331 205 Y HA 0.660 5.210 4.550 -0.001 0.000 0.338 205 Y C -0.321 175.530 175.900 -0.082 0.000 0.976 205 Y CA -0.598 57.446 58.100 -0.094 0.000 1.137 205 Y CB 1.656 40.077 38.460 -0.066 0.000 1.172 205 Y HN 0.427 nan 8.280 nan 0.000 0.478 206 V N 6.135 125.695 119.914 -0.589 0.000 2.347 206 V HA 0.666 4.785 4.120 -0.001 0.000 0.280 206 V C -0.145 175.598 176.094 -0.584 0.000 1.021 206 V CA -0.718 61.334 62.300 -0.413 0.000 0.847 206 V CB 0.873 32.540 31.823 -0.259 0.000 0.990 206 V HN 0.903 nan 8.190 nan 0.000 0.444 207 A N 5.182 127.820 122.820 -0.303 0.000 2.256 207 A HA 0.774 5.094 4.320 -0.001 0.000 0.317 207 A C -0.592 176.955 177.584 -0.063 0.000 1.318 207 A CA -0.455 51.483 52.037 -0.165 0.000 0.894 207 A CB 0.937 19.974 19.000 0.062 0.000 1.165 207 A HN 0.668 nan 8.150 nan 0.000 0.525 208 V N 2.562 122.445 119.914 -0.052 0.000 2.357 208 V HA 0.623 4.743 4.120 -0.001 0.000 0.284 208 V C 1.206 177.314 176.094 0.024 0.000 1.018 208 V CA 0.655 62.953 62.300 -0.003 0.000 0.841 208 V CB 0.734 32.559 31.823 0.003 0.000 0.991 208 V HN 1.798 nan 8.190 nan 0.000 0.437 209 G N 3.910 112.734 108.800 0.040 0.000 2.179 209 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.260 209 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.260 209 G C 0.224 175.152 174.900 0.047 0.000 0.977 209 G CA 0.246 45.376 45.100 0.050 0.000 0.641 209 G HN 0.638 nan 8.290 nan 0.000 0.533 210 Q N 0.597 120.425 119.800 0.047 0.000 2.354 210 Q HA 0.416 4.756 4.340 -0.001 0.000 0.244 210 Q C 0.780 176.810 176.000 0.050 0.000 0.969 210 Q CA 0.033 55.869 55.803 0.055 0.000 0.885 210 Q CB 0.726 29.509 28.738 0.075 0.000 1.241 210 Q HN 0.659 nan 8.270 nan 0.000 0.461 211 K N 0.985 121.413 120.400 0.047 0.000 2.258 211 K HA 0.145 4.465 4.320 -0.001 0.000 0.264 211 K C 0.320 176.945 176.600 0.042 0.000 1.007 211 K CA -0.327 55.984 56.287 0.040 0.000 0.941 211 K CB 0.949 33.470 32.500 0.036 0.000 0.966 211 K HN 0.458 nan 8.250 nan 0.000 0.480 212 R N 0.672 121.193 120.500 0.036 0.000 2.115 212 R HA -0.114 4.226 4.340 -0.001 0.000 0.230 212 R C 2.144 178.462 176.300 0.031 0.000 1.111 212 R CA 1.817 57.937 56.100 0.034 0.000 0.976 212 R CB -0.258 30.059 30.300 0.027 0.000 0.870 212 R HN 0.886 nan 8.270 nan 0.000 0.445 213 S N -0.285 115.432 115.700 0.028 0.000 2.469 213 S HA -0.104 4.365 4.470 -0.001 0.000 0.238 213 S C 1.656 176.271 174.600 0.026 0.000 0.998 213 S CA 1.532 59.746 58.200 0.024 0.000 0.957 213 S CB -0.242 62.971 63.200 0.022 0.000 0.764 213 S HN 0.260 nan 8.310 nan 0.000 0.514 214 T N 2.174 116.748 114.554 0.034 0.000 2.814 214 T HA 0.079 4.428 4.350 -0.001 0.000 0.254 214 T C 2.002 176.722 174.700 0.034 0.000 1.037 214 T CA 0.929 63.052 62.100 0.037 0.000 1.143 214 T CB -0.652 68.246 68.868 0.050 0.000 0.866 214 T HN 0.270 nan 8.240 nan 0.000 0.431 215 V N 2.388 122.332 119.914 0.051 0.000 2.282 215 V HA -0.219 3.900 4.120 -0.001 0.000 0.249 215 V C 3.031 179.137 176.094 0.021 0.000 1.057 215 V CA 1.880 64.213 62.300 0.056 0.000 1.032 215 V CB -1.438 30.432 31.823 0.079 0.000 0.645 215 V HN 0.560 nan 8.190 nan 0.000 0.447 216 A N -0.246 122.585 122.820 0.019 0.000 1.883 216 A HA -0.332 3.987 4.320 -0.001 0.000 0.217 216 A C 2.210 179.792 177.584 -0.003 0.000 1.186 216 A CA 2.372 54.413 52.037 0.007 0.000 0.624 216 A CB -0.645 18.360 19.000 0.009 0.000 0.822 216 A HN 0.553 nan 8.150 nan 0.000 0.444 217 Q N -0.629 119.171 119.800 0.001 0.000 2.291 217 Q HA -0.028 4.312 4.340 -0.001 0.000 0.205 217 Q C 1.741 177.732 176.000 -0.014 0.000 0.970 217 Q CA 1.532 57.334 55.803 -0.003 0.000 0.876 217 Q CB -0.436 28.306 28.738 0.008 0.000 0.935 217 Q HN 0.643 nan 8.270 nan 0.000 0.455 218 L N -0.711 120.493 121.223 -0.031 0.000 2.095 218 L HA -0.039 4.300 4.340 -0.001 0.000 0.204 218 L C 2.124 178.940 176.870 -0.091 0.000 1.080 218 L CA 1.070 55.862 54.840 -0.080 0.000 0.759 218 L CB -0.255 41.705 42.059 -0.165 0.000 0.914 218 L HN 0.296 nan 8.230 nan 0.000 0.439 219 V N -2.226 117.648 119.914 -0.067 0.000 2.490 219 V HA -0.284 3.836 4.120 -0.001 0.000 0.250 219 V C 2.237 178.303 176.094 -0.047 0.000 1.061 219 V CA 2.036 64.299 62.300 -0.061 0.000 1.064 219 V CB -0.972 30.830 31.823 -0.034 0.000 0.670 219 V HN 0.694 nan 8.190 nan 0.000 0.461 220 Q N 0.478 120.258 119.800 -0.032 0.000 2.079 220 Q HA -0.181 4.159 4.340 -0.001 0.000 0.200 220 Q C 2.282 178.274 176.000 -0.013 0.000 0.974 220 Q CA 2.501 58.291 55.803 -0.023 0.000 0.840 220 Q CB -0.349 28.378 28.738 -0.019 0.000 0.898 220 Q HN 0.736 nan 8.270 nan 0.000 0.430 221 T N 1.977 116.526 114.554 -0.008 0.000 2.720 221 T HA -0.133 4.217 4.350 -0.001 0.000 0.268 221 T C 1.938 176.677 174.700 0.065 0.000 1.037 221 T CA 1.324 63.444 62.100 0.033 0.000 1.144 221 T CB -0.223 68.669 68.868 0.039 0.000 0.864 221 T HN 0.245 nan 8.240 nan 0.000 0.444 222 L N 0.417 121.630 121.223 -0.017 0.000 2.046 222 L HA -0.092 4.248 4.340 -0.001 0.000 0.208 222 L C 2.775 179.628 176.870 -0.028 0.000 1.077 222 L CA 1.411 56.221 54.840 -0.049 0.000 0.747 222 L CB -0.515 41.467 42.059 -0.129 0.000 0.896 222 L HN 0.286 nan 8.230 nan 0.000 0.432 223 E N -0.289 119.890 120.200 -0.034 0.000 2.085 223 E HA -0.290 4.060 4.350 -0.001 0.000 0.194 223 E C 2.239 178.829 176.600 -0.016 0.000 0.994 223 E CA 1.273 57.654 56.400 -0.033 0.000 0.801 223 E CB 0.063 29.743 29.700 -0.033 0.000 0.743 223 E HN 0.349 nan 8.360 nan 0.000 0.453 224 Q N -0.371 119.430 119.800 0.001 0.000 2.077 224 Q HA -0.159 4.181 4.340 -0.001 0.000 0.206 224 Q C 1.433 177.388 176.000 -0.075 0.000 0.989 224 Q CA 1.450 57.230 55.803 -0.037 0.000 0.853 224 Q CB -0.071 28.645 28.738 -0.036 0.000 0.907 224 Q HN 0.451 nan 8.270 nan 0.000 0.418 225 H N -0.183 118.860 119.070 -0.046 0.000 2.547 225 H HA 0.007 4.562 4.556 -0.001 0.000 0.274 225 H C -0.201 175.110 175.328 -0.028 0.000 1.024 225 H CA 0.502 56.535 56.048 -0.025 0.000 1.155 225 H CB -0.028 29.736 29.762 0.003 0.000 1.344 225 H HN 0.319 nan 8.280 nan 0.000 0.598 226 D N 0.576 120.994 120.400 0.030 0.000 2.735 226 D HA -0.204 4.436 4.640 -0.001 0.000 0.235 226 D C 0.506 176.784 176.300 -0.037 0.000 1.175 226 D CA 0.690 54.687 54.000 -0.005 0.000 0.683 226 D CB -0.908 39.897 40.800 0.009 0.000 1.008 226 D HN 0.502 nan 8.370 nan 0.000 0.416 227 A N 0.840 123.561 122.820 -0.165 0.000 2.551 227 A HA 0.248 4.567 4.320 -0.001 0.000 0.252 227 A C 1.629 178.795 177.584 -0.696 0.000 1.199 227 A CA 0.588 52.296 52.037 -0.548 0.000 0.972 227 A CB 0.052 18.861 19.000 -0.319 0.000 1.153 227 A HN 0.322 nan 8.150 nan 0.000 0.559 228 M N 1.504 120.904 119.600 -0.334 0.000 2.200 228 M HA -0.066 4.413 4.480 -0.001 0.000 0.265 228 M C 2.000 178.184 176.300 -0.193 0.000 1.066 228 M CA 2.095 57.258 55.300 -0.229 0.000 1.127 228 M CB -0.535 31.994 32.600 -0.118 0.000 1.379 228 M HN 0.460 nan 8.290 nan 0.000 0.420 229 K N -0.252 120.054 120.400 -0.156 0.000 2.160 229 K HA -0.214 4.105 4.320 -0.001 0.000 0.206 229 K C 1.032 177.674 176.600 0.071 0.000 1.047 229 K CA 2.067 58.342 56.287 -0.020 0.000 0.930 229 K CB -1.162 31.362 32.500 0.041 0.000 0.720 229 K HN 0.622 nan 8.250 nan 0.000 0.450 230 Y N -0.050 120.282 120.300 0.052 0.000 2.571 230 Y HA 0.502 5.051 4.550 -0.001 0.000 0.275 230 Y C -0.425 175.511 175.900 0.060 0.000 1.179 230 Y CA -1.083 57.060 58.100 0.073 0.000 1.242 230 Y CB 0.284 38.727 38.460 -0.028 0.000 1.126 230 Y HN -0.142 nan 8.280 nan 0.000 0.524 231 S N 1.368 117.052 115.700 -0.025 0.000 2.521 231 S HA 0.661 5.131 4.470 -0.001 0.000 0.295 231 S C -0.738 173.874 174.600 0.020 0.000 1.098 231 S CA -0.652 57.535 58.200 -0.021 0.000 0.999 231 S CB 1.511 64.624 63.200 -0.144 0.000 1.034 231 S HN 0.274 nan 8.310 nan 0.000 0.483 232 I N 3.241 123.841 120.570 0.049 0.000 2.404 232 I HA 0.425 4.595 4.170 -0.001 0.000 0.293 232 I C -0.909 175.244 176.117 0.059 0.000 0.992 232 I CA -0.729 60.604 61.300 0.055 0.000 1.149 232 I CB 1.301 39.350 38.000 0.081 0.000 1.315 232 I HN 0.380 nan 8.210 nan 0.000 0.446 233 I N 7.306 127.908 120.570 0.055 0.000 2.359 233 I HA 0.307 4.477 4.170 -0.001 0.000 0.284 233 I C -0.047 176.102 176.117 0.052 0.000 1.018 233 I CA -0.647 60.703 61.300 0.084 0.000 1.173 233 I CB 1.067 39.116 38.000 0.082 0.000 1.326 233 I HN 0.148 nan 8.210 nan 0.000 0.462 234 V N 5.540 125.473 119.914 0.032 0.000 2.439 234 V HA 0.796 4.916 4.120 -0.001 0.000 0.282 234 V C 0.457 176.550 176.094 -0.003 0.000 1.039 234 V CA -0.484 61.818 62.300 0.003 0.000 0.913 234 V CB 1.515 33.327 31.823 -0.017 0.000 0.983 234 V HN 0.861 nan 8.190 nan 0.000 0.460 235 A N 4.006 126.828 122.820 0.002 0.000 2.422 235 A HA 0.902 5.222 4.320 -0.001 0.000 0.302 235 A C -0.322 177.261 177.584 -0.001 0.000 1.041 235 A CA -0.316 51.727 52.037 0.009 0.000 0.708 235 A CB 1.822 20.844 19.000 0.037 0.000 1.257 235 A HN 1.368 nan 8.150 nan 0.000 0.414 236 A N 2.465 125.286 122.820 0.002 0.000 2.763 236 A HA 0.633 4.953 4.320 -0.001 0.000 0.325 236 A C 0.386 177.986 177.584 0.026 0.000 1.209 236 A CA 0.149 52.192 52.037 0.010 0.000 0.764 236 A CB -0.384 18.622 19.000 0.010 0.000 1.120 236 A HN 1.439 nan 8.150 nan 0.000 0.463 237 T N -1.175 113.396 114.554 0.029 0.000 2.732 237 T HA 0.524 4.874 4.350 -0.001 0.000 0.287 237 T C 1.655 176.379 174.700 0.041 0.000 0.993 237 T CA 0.080 62.202 62.100 0.037 0.000 0.966 237 T CB 0.890 69.780 68.868 0.037 0.000 1.047 237 T HN 1.129 nan 8.240 nan 0.000 0.527 238 A N 1.082 123.927 122.820 0.042 0.000 1.927 238 A HA -0.132 4.188 4.320 -0.001 0.000 0.220 238 A C 2.523 180.132 177.584 0.042 0.000 1.185 238 A CA 2.432 54.494 52.037 0.043 0.000 0.639 238 A CB -1.621 17.403 19.000 0.039 0.000 0.820 238 A HN 1.097 nan 8.150 nan 0.000 0.451 239 S N 0.057 115.780 115.700 0.037 0.000 2.515 239 S HA 0.012 4.482 4.470 -0.001 0.000 0.231 239 S C 0.530 175.155 174.600 0.040 0.000 0.987 239 S CA 0.144 58.365 58.200 0.035 0.000 0.936 239 S CB -0.265 62.953 63.200 0.029 0.000 0.766 239 S HN 0.655 nan 8.310 nan 0.000 0.528 240 E N 1.761 121.989 120.200 0.046 0.000 2.366 240 E HA 0.478 4.827 4.350 -0.001 0.000 0.266 240 E C 0.119 176.763 176.600 0.073 0.000 1.051 240 E CA -0.222 56.211 56.400 0.054 0.000 0.884 240 E CB 0.694 30.422 29.700 0.047 0.000 1.006 240 E HN 0.379 nan 8.360 nan 0.000 0.417 241 A N 1.809 124.684 122.820 0.092 0.000 2.561 241 A HA 0.149 4.469 4.320 -0.001 0.000 0.234 241 A C 1.344 179.016 177.584 0.147 0.000 1.055 241 A CA 0.696 52.804 52.037 0.119 0.000 0.756 241 A CB 0.263 19.360 19.000 0.162 0.000 0.986 241 A HN 0.802 nan 8.150 nan 0.000 0.505 242 A N 3.559 126.463 122.820 0.140 0.000 1.892 242 A HA -0.078 4.242 4.320 -0.001 0.000 0.218 242 A C -0.134 177.601 177.584 0.251 0.000 1.188 242 A CA 2.113 54.248 52.037 0.162 0.000 0.631 242 A CB -1.687 17.386 19.000 0.121 0.000 0.822 242 A HN 0.647 nan 8.150 nan 0.000 0.447 243 P HA -0.112 nan 4.420 nan 0.000 0.221 243 P C 1.265 178.806 177.300 0.402 0.000 1.145 243 P CA 0.792 64.187 63.100 0.492 0.000 0.795 243 P CB -0.121 31.946 31.700 0.612 0.000 0.775 244 L N -1.090 120.268 121.223 0.226 0.000 2.240 244 L HA -0.115 4.225 4.340 -0.001 0.000 0.211 244 L C 2.455 179.361 176.870 0.059 0.000 1.106 244 L CA 1.253 56.109 54.840 0.026 0.000 0.793 244 L CB -0.711 41.334 42.059 -0.023 0.000 0.927 244 L HN 0.044 nan 8.230 nan 0.000 0.446 245 Q N -1.153 118.724 119.800 0.129 0.000 2.163 245 Q HA -0.187 4.153 4.340 -0.001 0.000 0.198 245 Q C 2.050 178.151 176.000 0.168 0.000 0.954 245 Q CA 1.094 56.969 55.803 0.120 0.000 0.851 245 Q CB -0.224 28.591 28.738 0.128 0.000 0.928 245 Q HN 0.432 nan 8.270 nan 0.000 0.459 246 Y N 1.404 121.778 120.300 0.123 0.000 2.165 246 Y HA -0.221 4.329 4.550 -0.001 0.000 0.286 246 Y C 1.782 177.799 175.900 0.195 0.000 1.155 246 Y CA 1.138 59.333 58.100 0.160 0.000 1.164 246 Y CB -0.165 38.414 38.460 0.199 0.000 0.978 246 Y HN 0.030 nan 8.280 nan 0.000 0.513 247 L N 0.094 121.273 121.223 -0.074 0.000 2.270 247 L HA 0.150 4.490 4.340 -0.001 0.000 0.210 247 L C 2.595 179.442 176.870 -0.038 0.000 1.104 247 L CA 1.405 56.158 54.840 -0.145 0.000 0.804 247 L CB -1.139 40.866 42.059 -0.090 0.000 0.937 247 L HN 0.292 nan 8.230 nan 0.000 0.450 248 A N 0.576 123.373 122.820 -0.039 0.000 1.917 248 A HA -0.146 4.173 4.320 -0.001 0.000 0.219 248 A C -0.278 177.283 177.584 -0.039 0.000 1.182 248 A CA 2.037 54.052 52.037 -0.037 0.000 0.633 248 A CB -1.861 17.122 19.000 -0.028 0.000 0.819 248 A HN 0.366 nan 8.150 nan 0.000 0.448 249 P HA 0.003 nan 4.420 nan 0.000 0.225 249 P C 0.878 178.081 177.300 -0.162 0.000 1.156 249 P CA 0.611 63.654 63.100 -0.096 0.000 0.787 249 P CB -0.091 31.388 31.700 -0.367 0.000 0.802 250 F N 0.359 120.245 119.950 -0.107 0.000 2.149 250 F HA -0.096 4.431 4.527 -0.001 0.000 0.294 250 F C 2.422 178.183 175.800 -0.066 0.000 1.095 250 F CA 1.904 59.826 58.000 -0.130 0.000 1.276 250 F CB -1.756 37.095 39.000 -0.247 0.000 1.023 250 F HN -0.063 nan 8.300 nan 0.000 0.480 251 T N -2.073 112.548 114.554 0.111 0.000 2.951 251 T HA -0.000 4.349 4.350 -0.001 0.000 0.268 251 T C 2.110 176.841 174.700 0.052 0.000 1.073 251 T CA 0.826 62.960 62.100 0.057 0.000 1.134 251 T CB -0.712 68.161 68.868 0.010 0.000 0.884 251 T HN 0.159 nan 8.240 nan 0.000 0.479 252 A N 1.924 124.771 122.820 0.046 0.000 1.930 252 A HA 0.376 4.696 4.320 -0.001 0.000 0.217 252 A C 2.814 180.441 177.584 0.071 0.000 1.175 252 A CA 1.648 53.709 52.037 0.040 0.000 0.627 252 A CB -1.416 17.586 19.000 0.003 0.000 0.815 252 A HN 0.694 nan 8.150 nan 0.000 0.443 253 A N 0.002 122.887 122.820 0.109 0.000 1.849 253 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 253 A C 2.441 180.098 177.584 0.121 0.000 1.202 253 A CA 2.452 54.567 52.037 0.130 0.000 0.629 253 A CB -1.272 17.812 19.000 0.140 0.000 0.834 253 A HN 0.505 nan 8.150 nan 0.000 0.447 254 S N -0.027 115.738 115.700 0.109 0.000 2.372 254 S HA -0.233 4.236 4.470 -0.001 0.000 0.227 254 S C 1.796 176.470 174.600 0.122 0.000 1.044 254 S CA 1.797 60.058 58.200 0.101 0.000 1.050 254 S CB -0.696 62.549 63.200 0.075 0.000 0.901 254 S HN 0.513 nan 8.310 nan 0.000 0.447 255 I N 1.326 121.962 120.570 0.110 0.000 2.163 255 I HA -0.190 3.980 4.170 -0.001 0.000 0.243 255 I C 2.701 178.969 176.117 0.252 0.000 1.085 255 I CA 1.406 62.782 61.300 0.126 0.000 1.347 255 I CB -0.792 37.263 38.000 0.092 0.000 1.044 255 I HN 0.408 nan 8.210 nan 0.000 0.408 256 G N -0.359 108.588 108.800 0.245 0.000 2.421 256 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.217 256 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.217 256 G C 1.513 176.629 174.900 0.359 0.000 1.143 256 G CA 0.269 45.569 45.100 0.334 0.000 0.784 256 G HN 0.384 nan 8.290 nan 0.000 0.541 257 E N -0.665 119.676 120.200 0.234 0.000 2.153 257 E HA -0.151 4.199 4.350 -0.001 0.000 0.194 257 E C 1.890 178.575 176.600 0.140 0.000 0.988 257 E CA 0.476 56.975 56.400 0.165 0.000 0.811 257 E CB -0.191 29.576 29.700 0.111 0.000 0.746 257 E HN 0.660 nan 8.360 nan 0.000 0.466 258 W N 0.507 121.787 121.300 -0.033 0.000 2.321 258 W HA -0.271 4.389 4.660 -0.001 0.000 0.306 258 W C 1.496 177.863 176.519 -0.253 0.000 1.217 258 W CA 1.710 58.939 57.345 -0.194 0.000 1.257 258 W CB -0.356 28.893 29.460 -0.351 0.000 1.145 258 W HN 0.012 nan 8.180 nan 0.000 0.509 259 F N 0.138 120.210 119.950 0.202 0.000 2.102 259 F HA -0.161 4.366 4.527 -0.001 0.000 0.298 259 F C 2.763 178.459 175.800 -0.175 0.000 1.105 259 F CA 2.219 60.218 58.000 -0.001 0.000 1.239 259 F CB -1.291 37.773 39.000 0.108 0.000 0.991 259 F HN -0.194 nan 8.300 nan 0.000 0.474 260 R N 0.617 121.179 120.500 0.104 0.000 2.105 260 R HA -0.178 4.162 4.340 -0.001 0.000 0.239 260 R C 1.152 177.389 176.300 -0.105 0.000 1.135 260 R CA 2.039 58.151 56.100 0.020 0.000 0.967 260 R CB -0.459 29.882 30.300 0.068 0.000 0.861 260 R HN 0.171 nan 8.270 nan 0.000 0.442 261 D N 0.007 120.291 120.400 -0.192 0.000 2.363 261 D HA -0.008 4.632 4.640 -0.001 0.000 0.226 261 D C -0.114 175.959 176.300 -0.378 0.000 1.020 261 D CA 0.680 54.530 54.000 -0.251 0.000 0.892 261 D CB 0.116 40.768 40.800 -0.247 0.000 0.900 261 D HN 0.206 nan 8.370 nan 0.000 0.531 262 N N -0.322 118.076 118.700 -0.503 0.000 2.642 262 N HA 0.215 4.954 4.740 -0.001 0.000 0.308 262 N C 0.613 175.911 175.510 -0.354 0.000 1.914 262 N CA 0.020 52.755 53.050 -0.524 0.000 0.893 262 N CB 1.436 39.361 38.487 -0.936 0.000 1.322 262 N HN 0.036 nan 8.380 nan 0.000 0.490 263 G N 1.017 109.670 108.800 -0.245 0.000 2.180 263 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.263 263 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.263 263 G C 0.228 174.944 174.900 -0.306 0.000 0.989 263 G CA 0.947 45.927 45.100 -0.200 0.000 0.692 263 G HN 0.374 nan 8.290 nan 0.000 0.526 264 K N -0.475 119.729 120.400 -0.327 0.000 2.303 264 K HA 0.761 5.081 4.320 -0.001 0.000 0.233 264 K C -0.316 176.014 176.600 -0.450 0.000 1.046 264 K CA -0.964 55.136 56.287 -0.311 0.000 0.895 264 K CB 1.052 33.612 32.500 0.100 0.000 1.220 264 K HN 0.314 nan 8.250 nan 0.000 0.470 265 H N -0.303 118.915 119.070 0.246 0.000 2.744 265 H HA 0.489 5.045 4.556 -0.001 0.000 0.339 265 H C -1.060 174.350 175.328 0.136 0.000 1.004 265 H CA -0.876 55.255 56.048 0.138 0.000 1.257 265 H CB 1.699 31.477 29.762 0.026 0.000 1.552 265 H HN 0.690 nan 8.280 nan 0.000 0.522 266 A N 2.915 125.846 122.820 0.184 0.000 2.299 266 A HA 0.645 4.965 4.320 -0.001 0.000 0.332 266 A C -0.754 176.848 177.584 0.031 0.000 1.131 266 A CA -0.763 51.301 52.037 0.046 0.000 0.844 266 A CB 1.290 20.321 19.000 0.051 0.000 1.251 266 A HN 0.556 nan 8.150 nan 0.000 0.486 267 L N 1.748 122.962 121.223 -0.015 0.000 2.415 267 L HA 0.644 4.984 4.340 -0.001 0.000 0.268 267 L C -1.081 175.747 176.870 -0.070 0.000 0.984 267 L CA -0.242 54.578 54.840 -0.033 0.000 0.853 267 L CB 0.998 43.040 42.059 -0.029 0.000 1.215 267 L HN 0.716 nan 8.230 nan 0.000 0.419 268 I N 5.136 125.625 120.570 -0.134 0.000 2.437 268 I HA 0.590 4.759 4.170 -0.001 0.000 0.298 268 I C -1.087 174.770 176.117 -0.434 0.000 0.984 268 I CA -0.673 60.452 61.300 -0.292 0.000 1.214 268 I CB 1.566 39.345 38.000 -0.367 0.000 1.365 268 I HN 0.404 nan 8.210 nan 0.000 0.469 269 V N 7.736 127.367 119.914 -0.471 0.000 2.407 269 V HA 0.276 4.396 4.120 -0.001 0.000 0.291 269 V C -1.206 174.542 176.094 -0.577 0.000 1.018 269 V CA -0.495 61.561 62.300 -0.407 0.000 0.842 269 V CB 1.150 32.917 31.823 -0.093 0.000 0.996 269 V HN 0.492 nan 8.190 nan 0.000 0.426 270 Y N 2.529 122.701 120.300 -0.214 0.000 2.676 270 Y HA 0.426 4.975 4.550 -0.001 0.000 0.338 270 Y C 0.445 176.202 175.900 -0.238 0.000 1.057 270 Y CA -0.739 57.210 58.100 -0.251 0.000 1.314 270 Y CB 0.502 38.826 38.460 -0.228 0.000 1.164 270 Y HN 0.519 nan 8.280 nan 0.000 0.509 271 D N 3.753 124.018 120.400 -0.225 0.000 2.460 271 D HA 0.156 4.795 4.640 -0.001 0.000 0.232 271 D C -1.067 175.175 176.300 -0.097 0.000 1.079 271 D CA -0.327 53.581 54.000 -0.154 0.000 0.864 271 D CB 0.586 41.277 40.800 -0.182 0.000 1.048 271 D HN 0.661 nan 8.370 nan 0.000 0.523 272 D N 1.188 121.569 120.400 -0.033 0.000 2.414 272 D HA 0.231 4.871 4.640 -0.001 0.000 0.241 272 D C 1.234 177.521 176.300 -0.021 0.000 1.008 272 D CA -0.743 53.242 54.000 -0.025 0.000 1.001 272 D CB 1.273 42.067 40.800 -0.009 0.000 1.277 272 D HN 0.125 nan 8.370 nan 0.000 0.538 273 L N 0.078 121.266 121.223 -0.059 0.000 2.313 273 L HA -0.042 4.298 4.340 -0.001 0.000 0.214 273 L C 1.869 178.762 176.870 0.038 0.000 1.119 273 L CA 0.470 55.265 54.840 -0.075 0.000 0.809 273 L CB -0.281 41.563 42.059 -0.359 0.000 0.933 273 L HN 0.412 nan 8.230 nan 0.000 0.449 274 S N 0.294 116.007 115.700 0.022 0.000 2.359 274 S HA -0.210 4.259 4.470 -0.001 0.000 0.224 274 S C 1.930 176.604 174.600 0.123 0.000 1.035 274 S CA 1.429 59.675 58.200 0.076 0.000 1.018 274 S CB -0.094 63.140 63.200 0.057 0.000 0.876 274 S HN 0.375 nan 8.310 nan 0.000 0.448 275 K N 1.006 121.463 120.400 0.095 0.000 2.097 275 K HA -0.085 4.234 4.320 -0.001 0.000 0.205 275 K C 2.479 179.159 176.600 0.134 0.000 1.050 275 K CA 0.926 57.275 56.287 0.105 0.000 0.938 275 K CB -0.154 32.390 32.500 0.073 0.000 0.718 275 K HN 0.338 nan 8.250 nan 0.000 0.442 276 Q N 0.653 120.531 119.800 0.130 0.000 2.061 276 Q HA -0.195 4.145 4.340 -0.001 0.000 0.204 276 Q C 2.073 178.215 176.000 0.237 0.000 0.984 276 Q CA 1.799 57.701 55.803 0.165 0.000 0.846 276 Q CB -0.144 28.663 28.738 0.115 0.000 0.902 276 Q HN 0.349 nan 8.270 nan 0.000 0.421 277 A N -0.052 122.914 122.820 0.242 0.000 1.978 277 A HA -0.135 4.185 4.320 -0.001 0.000 0.220 277 A C 2.179 179.994 177.584 0.386 0.000 1.170 277 A CA 1.553 53.757 52.037 0.278 0.000 0.636 277 A CB -0.572 18.538 19.000 0.183 0.000 0.810 277 A HN 0.314 nan 8.150 nan 0.000 0.448 278 V N -0.303 119.794 119.914 0.306 0.000 2.358 278 V HA -0.206 3.914 4.120 -0.001 0.000 0.246 278 V C 3.012 179.203 176.094 0.161 0.000 1.047 278 V CA 1.743 64.178 62.300 0.226 0.000 1.035 278 V CB -1.285 30.633 31.823 0.157 0.000 0.658 278 V HN 0.605 nan 8.190 nan 0.000 0.452 279 A N -0.509 122.425 122.820 0.189 0.000 1.877 279 A HA -0.277 4.043 4.320 -0.001 0.000 0.216 279 A C 2.213 179.914 177.584 0.195 0.000 1.186 279 A CA 2.121 54.268 52.037 0.183 0.000 0.620 279 A CB -0.820 18.314 19.000 0.222 0.000 0.822 279 A HN 0.600 nan 8.150 nan 0.000 0.443 280 Y N 0.698 121.059 120.300 0.101 0.000 2.224 280 Y HA -0.203 4.347 4.550 -0.001 0.000 0.289 280 Y C 2.457 178.349 175.900 -0.013 0.000 1.146 280 Y CA 1.913 60.004 58.100 -0.016 0.000 1.182 280 Y CB -0.507 37.989 38.460 0.060 0.000 0.983 280 Y HN 0.382 nan 8.280 nan 0.000 0.524 281 R N 0.203 120.669 120.500 -0.057 0.000 2.096 281 R HA -0.215 4.125 4.340 -0.001 0.000 0.235 281 R C 2.397 178.600 176.300 -0.161 0.000 1.127 281 R CA 1.771 57.766 56.100 -0.174 0.000 0.968 281 R CB -0.364 29.839 30.300 -0.161 0.000 0.861 281 R HN 0.559 nan 8.270 nan 0.000 0.440 282 Q N 0.376 120.129 119.800 -0.078 0.000 1.990 282 Q HA -0.182 4.158 4.340 -0.001 0.000 0.200 282 Q C 2.059 178.019 176.000 -0.066 0.000 0.980 282 Q CA 1.611 57.381 55.803 -0.056 0.000 0.832 282 Q CB -0.112 28.623 28.738 -0.005 0.000 0.897 282 Q HN 0.303 nan 8.270 nan 0.000 0.427 283 L N 0.569 121.758 121.223 -0.056 0.000 2.026 283 L HA -0.360 3.979 4.340 -0.001 0.000 0.231 283 L C 2.549 179.354 176.870 -0.109 0.000 1.095 283 L CA 2.534 57.331 54.840 -0.072 0.000 0.810 283 L CB -0.969 41.028 42.059 -0.105 0.000 0.909 283 L HN 0.241 nan 8.230 nan 0.000 0.444 284 S N -1.102 114.480 115.700 -0.196 0.000 2.368 284 S HA -0.127 4.343 4.470 -0.001 0.000 0.225 284 S C 1.981 176.503 174.600 -0.130 0.000 1.030 284 S CA 1.297 59.376 58.200 -0.202 0.000 0.999 284 S CB -0.473 62.510 63.200 -0.362 0.000 0.844 284 S HN 0.338 nan 8.310 nan 0.000 0.459 285 L N 0.720 121.868 121.223 -0.125 0.000 2.093 285 L HA 0.009 4.349 4.340 -0.001 0.000 0.208 285 L C 2.157 178.989 176.870 -0.062 0.000 1.085 285 L CA 0.935 55.722 54.840 -0.089 0.000 0.755 285 L CB -0.430 41.574 42.059 -0.092 0.000 0.904 285 L HN 0.280 nan 8.230 nan 0.000 0.435 286 L N -0.913 120.276 121.223 -0.058 0.000 2.270 286 L HA -0.111 4.229 4.340 -0.001 0.000 0.210 286 L C 2.090 178.941 176.870 -0.032 0.000 1.104 286 L CA 0.550 55.367 54.840 -0.038 0.000 0.804 286 L CB -0.117 41.923 42.059 -0.031 0.000 0.937 286 L HN 0.241 nan 8.230 nan 0.000 0.450 287 L N -0.526 120.673 121.223 -0.040 0.000 2.610 287 L HA 0.021 4.361 4.340 -0.001 0.000 0.232 287 L C 0.928 177.782 176.870 -0.026 0.000 1.149 287 L CA 0.268 55.091 54.840 -0.029 0.000 0.872 287 L CB -0.228 41.811 42.059 -0.034 0.000 0.992 287 L HN 0.250 nan 8.230 nan 0.000 0.447 288 R N -0.790 119.690 120.500 -0.034 0.000 3.953 288 R HA -0.182 4.157 4.340 -0.001 0.000 0.340 288 R C 0.262 176.546 176.300 -0.027 0.000 1.195 288 R CA 0.453 56.536 56.100 -0.028 0.000 0.929 288 R CB -1.734 28.555 30.300 -0.018 0.000 1.402 288 R HN 0.341 nan 8.270 nan 0.000 0.540 289 R N 1.984 122.463 120.500 -0.035 0.000 2.538 289 R HA 0.043 4.382 4.340 -0.001 0.000 0.282 289 R C -1.818 174.462 176.300 -0.034 0.000 1.009 289 R CA -0.859 55.223 56.100 -0.031 0.000 1.063 289 R CB 0.287 30.561 30.300 -0.044 0.000 0.945 289 R HN -0.009 nan 8.270 nan 0.000 0.414 290 P HA 0.158 nan 4.420 nan 0.000 0.276 290 P C -2.467 174.825 177.300 -0.013 0.000 1.235 290 P CA -1.223 61.868 63.100 -0.015 0.000 0.772 290 P CB 0.285 31.982 31.700 -0.004 0.000 0.871 291 P HA 0.360 nan 4.420 nan 0.000 0.274 291 P C 0.454 177.766 177.300 0.020 0.000 1.256 291 P CA -0.174 62.921 63.100 -0.009 0.000 0.795 291 P CB 0.595 32.279 31.700 -0.027 0.000 1.038 292 G N -0.494 108.341 108.800 0.058 0.000 3.286 292 G HA2 0.292 4.252 3.960 -0.001 0.000 0.166 292 G HA3 0.292 4.252 3.960 -0.001 0.000 0.166 292 G C -0.689 174.237 174.900 0.044 0.000 1.155 292 G CA -0.576 44.560 45.100 0.060 0.000 0.871 292 G HN 0.523 nan 8.290 nan 0.000 0.637 293 R N 0.975 121.469 120.500 -0.011 0.000 2.489 293 R HA 0.120 4.459 4.340 -0.001 0.000 0.287 293 R C -0.195 176.154 176.300 0.081 0.000 1.053 293 R CA 0.629 56.651 56.100 -0.130 0.000 1.036 293 R CB -0.229 29.752 30.300 -0.531 0.000 0.966 293 R HN 0.686 nan 8.270 nan 0.000 0.432 294 E N 2.763 123.014 120.200 0.084 0.000 2.360 294 E HA -0.307 4.043 4.350 -0.001 0.000 0.238 294 E C 0.253 176.880 176.600 0.045 0.000 1.186 294 E CA 0.548 57.047 56.400 0.165 0.000 0.719 294 E CB -1.162 28.776 29.700 0.396 0.000 1.236 294 E HN 0.883 nan 8.360 nan 0.000 0.386 295 A N -2.208 120.611 122.820 -0.001 0.000 2.945 295 A HA -0.313 4.007 4.320 -0.001 0.000 0.263 295 A C 0.011 177.515 177.584 -0.134 0.000 1.293 295 A CA 1.892 53.873 52.037 -0.093 0.000 0.944 295 A CB -2.052 16.853 19.000 -0.158 0.000 1.093 295 A HN 0.493 nan 8.150 nan 0.000 0.786 296 Y N -0.362 119.990 120.300 0.085 0.000 2.307 296 Y HA 0.466 5.015 4.550 -0.001 0.000 0.324 296 Y C -1.558 174.368 175.900 0.043 0.000 1.238 296 Y CA -1.796 56.358 58.100 0.091 0.000 1.280 296 Y CB 0.449 39.065 38.460 0.260 0.000 1.248 296 Y HN 0.117 nan 8.280 nan 0.000 0.508 297 P HA -0.056 nan 4.420 nan 0.000 0.269 297 P C 0.599 178.004 177.300 0.175 0.000 1.211 297 P CA 0.512 63.613 63.100 0.002 0.000 0.781 297 P CB 0.583 32.088 31.700 -0.324 0.000 0.877 298 G N 1.246 110.131 108.800 0.142 0.000 2.535 298 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.218 298 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.218 298 G C 0.236 175.272 174.900 0.226 0.000 1.122 298 G CA 0.466 45.668 45.100 0.169 0.000 0.769 298 G HN 0.648 nan 8.290 nan 0.000 0.549 299 D N -0.584 119.986 120.400 0.282 0.000 2.837 299 D HA 0.048 4.688 4.640 -0.001 0.000 0.340 299 D C 1.020 177.535 176.300 0.359 0.000 1.451 299 D CA -0.569 53.628 54.000 0.329 0.000 0.798 299 D CB 0.039 41.032 40.800 0.321 0.000 1.169 299 D HN -0.005 nan 8.370 nan 0.000 0.449 300 V N 0.219 120.321 119.914 0.313 0.000 3.541 300 V HA 0.000 4.120 4.120 -0.001 0.000 0.272 300 V C 0.971 177.063 176.094 -0.002 0.000 1.215 300 V CA 0.744 63.139 62.300 0.159 0.000 1.176 300 V CB -1.031 30.825 31.823 0.054 0.000 0.854 300 V HN 0.294 nan 8.190 nan 0.000 0.496 301 F N -0.364 119.590 119.950 0.007 0.000 2.243 301 F HA 0.064 4.590 4.527 -0.001 0.000 0.287 301 F C 1.918 177.784 175.800 0.110 0.000 1.067 301 F CA 1.401 59.422 58.000 0.035 0.000 1.304 301 F CB -0.554 38.497 39.000 0.085 0.000 1.087 301 F HN 0.260 nan 8.300 nan 0.000 0.513 302 Y N 1.269 121.545 120.300 -0.041 0.000 2.151 302 Y HA -0.261 4.288 4.550 -0.001 0.000 0.284 302 Y C 2.310 178.121 175.900 -0.148 0.000 1.166 302 Y CA 1.850 59.873 58.100 -0.127 0.000 1.163 302 Y CB -1.087 37.393 38.460 0.033 0.000 0.974 302 Y HN 0.266 nan 8.280 nan 0.000 0.511 303 L N -0.122 120.996 121.223 -0.176 0.000 1.997 303 L HA -0.381 3.958 4.340 -0.001 0.000 0.227 303 L C 2.327 179.062 176.870 -0.225 0.000 1.087 303 L CA 2.793 57.482 54.840 -0.251 0.000 0.797 303 L CB -0.945 40.884 42.059 -0.383 0.000 0.902 303 L HN 0.405 nan 8.230 nan 0.000 0.441 304 H N -1.596 117.325 119.070 -0.249 0.000 2.403 304 H HA -0.068 4.488 4.556 -0.001 0.000 0.298 304 H C 2.416 177.513 175.328 -0.386 0.000 1.059 304 H CA 1.027 56.872 56.048 -0.338 0.000 1.363 304 H CB -0.037 29.549 29.762 -0.294 0.000 1.410 304 H HN 0.607 nan 8.280 nan 0.000 0.528 305 S N 1.434 116.900 115.700 -0.390 0.000 2.383 305 S HA -0.217 4.253 4.470 -0.001 0.000 0.227 305 S C 2.114 176.581 174.600 -0.223 0.000 1.026 305 S CA 1.168 59.122 58.200 -0.409 0.000 0.981 305 S CB -0.202 62.563 63.200 -0.725 0.000 0.818 305 S HN 0.543 nan 8.310 nan 0.000 0.472 306 R N 0.922 121.258 120.500 -0.273 0.000 2.075 306 R HA 0.100 4.439 4.340 -0.001 0.000 0.232 306 R C 2.386 178.629 176.300 -0.094 0.000 1.126 306 R CA 1.238 57.206 56.100 -0.220 0.000 0.963 306 R CB -0.901 29.076 30.300 -0.538 0.000 0.858 306 R HN 0.425 nan 8.270 nan 0.000 0.435 307 L N 1.299 122.470 121.223 -0.087 0.000 2.012 307 L HA -0.082 4.257 4.340 -0.001 0.000 0.210 307 L C 2.050 178.800 176.870 -0.200 0.000 1.073 307 L CA 1.735 56.456 54.840 -0.199 0.000 0.748 307 L CB -0.242 41.436 42.059 -0.635 0.000 0.891 307 L HN 0.275 nan 8.230 nan 0.000 0.431 308 L N -0.725 120.374 121.223 -0.205 0.000 2.554 308 L HA 0.011 4.351 4.340 -0.001 0.000 0.226 308 L C 2.174 179.012 176.870 -0.055 0.000 1.137 308 L CA 0.158 54.915 54.840 -0.138 0.000 0.863 308 L CB -0.422 41.539 42.059 -0.163 0.000 0.985 308 L HN 0.309 nan 8.230 nan 0.000 0.451 309 E N 0.295 120.467 120.200 -0.047 0.000 2.371 309 E HA -0.071 4.279 4.350 -0.001 0.000 0.194 309 E C 1.940 178.547 176.600 0.011 0.000 1.012 309 E CA 0.339 56.734 56.400 -0.009 0.000 0.860 309 E CB 0.217 29.916 29.700 -0.000 0.000 0.811 309 E HN 0.468 nan 8.360 nan 0.000 0.502 310 R N 0.736 121.244 120.500 0.013 0.000 2.189 310 R HA 0.057 4.397 4.340 -0.001 0.000 0.218 310 R C 0.955 177.286 176.300 0.052 0.000 1.074 310 R CA 0.470 56.593 56.100 0.038 0.000 0.991 310 R CB 0.048 30.378 30.300 0.050 0.000 0.883 310 R HN -0.094 nan 8.270 nan 0.000 0.457 311 A N 1.343 124.195 122.820 0.053 0.000 2.410 311 A HA 0.543 4.862 4.320 -0.001 0.000 0.292 311 A C -0.119 177.490 177.584 0.043 0.000 1.232 311 A CA 0.000 52.072 52.037 0.057 0.000 0.893 311 A CB 0.057 19.094 19.000 0.062 0.000 1.131 311 A HN 0.313 nan 8.150 nan 0.000 0.530 312 A N 2.620 125.468 122.820 0.046 0.000 2.483 312 A HA 0.889 5.208 4.320 -0.001 0.000 0.286 312 A C -0.488 177.124 177.584 0.047 0.000 1.207 312 A CA -0.796 51.266 52.037 0.041 0.000 0.764 312 A CB 1.211 20.234 19.000 0.038 0.000 1.341 312 A HN 0.723 nan 8.150 nan 0.000 0.428 313 K N 0.975 121.404 120.400 0.047 0.000 2.559 313 K HA 0.596 4.915 4.320 -0.001 0.000 0.249 313 K C -1.421 175.214 176.600 0.058 0.000 0.958 313 K CA -0.165 56.157 56.287 0.060 0.000 0.901 313 K CB 0.149 32.685 32.500 0.060 0.000 1.124 313 K HN 0.591 nan 8.250 nan 0.000 0.437 314 L N 2.909 124.167 121.223 0.059 0.000 2.452 314 L HA 0.280 4.619 4.340 -0.001 0.000 0.267 314 L C 0.751 177.645 176.870 0.041 0.000 1.188 314 L CA -0.467 54.396 54.840 0.038 0.000 0.821 314 L CB 1.020 43.092 42.059 0.021 0.000 1.102 314 L HN 0.859 nan 8.230 nan 0.000 0.470 315 S N 0.326 116.041 115.700 0.024 0.000 2.606 315 S HA 0.058 4.527 4.470 -0.001 0.000 0.257 315 S C 0.816 175.426 174.600 0.018 0.000 1.327 315 S CA -0.587 57.624 58.200 0.019 0.000 0.984 315 S CB 0.844 64.049 63.200 0.007 0.000 0.941 315 S HN 0.653 nan 8.310 nan 0.000 0.576 316 E N 0.472 120.680 120.200 0.013 0.000 2.077 316 E HA -0.155 4.195 4.350 -0.001 0.000 0.193 316 E C 1.825 178.425 176.600 0.000 0.000 0.989 316 E CA 0.912 57.319 56.400 0.011 0.000 0.800 316 E CB -0.185 29.519 29.700 0.007 0.000 0.746 316 E HN 0.675 nan 8.360 nan 0.000 0.452 317 K N 0.580 120.978 120.400 -0.004 0.000 2.442 317 K HA -0.148 4.171 4.320 -0.001 0.000 0.199 317 K C 1.007 177.597 176.600 -0.016 0.000 1.044 317 K CA 0.916 57.197 56.287 -0.009 0.000 0.941 317 K CB 0.280 32.775 32.500 -0.008 0.000 0.759 317 K HN -0.011 nan 8.250 nan 0.000 0.472 318 E N -1.553 118.638 120.200 -0.015 0.000 2.562 318 E HA 0.103 4.452 4.350 -0.001 0.000 0.214 318 E C 0.711 177.287 176.600 -0.040 0.000 0.979 318 E CA 0.580 56.963 56.400 -0.028 0.000 1.002 318 E CB 1.507 31.194 29.700 -0.020 0.000 1.048 318 E HN 0.411 nan 8.360 nan 0.000 0.488 319 G N 1.329 110.113 108.800 -0.027 0.000 2.179 319 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.220 319 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.220 319 G C 0.566 175.462 174.900 -0.005 0.000 0.990 319 G CA 0.248 45.328 45.100 -0.035 0.000 0.646 319 G HN 0.086 nan 8.290 nan 0.000 0.517 320 S N -1.232 114.484 115.700 0.027 0.000 3.358 320 S HA -0.164 4.305 4.470 -0.001 0.000 0.309 320 S C 1.693 176.384 174.600 0.151 0.000 1.247 320 S CA 1.644 59.897 58.200 0.087 0.000 0.961 320 S CB -1.400 61.866 63.200 0.110 0.000 1.074 320 S HN 2.195 nan 8.310 nan 0.000 0.625 321 G N 1.002 109.837 108.800 0.058 0.000 2.667 321 G HA2 0.509 4.469 3.960 -0.001 0.000 0.250 321 G HA3 0.509 4.469 3.960 -0.001 0.000 0.250 321 G C -0.095 174.915 174.900 0.184 0.000 1.212 321 G CA 0.360 45.484 45.100 0.041 0.000 0.874 321 G HN 1.268 nan 8.290 nan 0.000 0.561 322 S N -0.898 114.965 115.700 0.272 0.000 2.543 322 S HA 0.499 4.968 4.470 -0.001 0.000 0.271 322 S C -1.381 173.312 174.600 0.155 0.000 1.148 322 S CA -0.824 57.495 58.200 0.198 0.000 0.914 322 S CB 1.842 65.141 63.200 0.165 0.000 1.096 322 S HN 0.797 nan 8.310 nan 0.000 0.471 323 L N 3.023 124.307 121.223 0.102 0.000 2.280 323 L HA 0.682 5.022 4.340 -0.001 0.000 0.287 323 L C -0.386 176.515 176.870 0.051 0.000 1.023 323 L CA 0.369 55.260 54.840 0.085 0.000 0.819 323 L CB 1.393 43.506 42.059 0.090 0.000 1.212 323 L HN 0.925 nan 8.230 nan 0.000 0.420 324 T N 4.597 119.167 114.554 0.027 0.000 2.794 324 T HA 0.802 5.151 4.350 -0.001 0.000 0.280 324 T C -0.296 174.397 174.700 -0.012 0.000 0.987 324 T CA -0.348 61.752 62.100 0.001 0.000 0.993 324 T CB 1.374 70.227 68.868 -0.025 0.000 0.939 324 T HN 0.760 nan 8.240 nan 0.000 0.449 325 A N 3.360 126.183 122.820 0.006 0.000 2.337 325 A HA 0.795 5.114 4.320 -0.001 0.000 0.329 325 A C -0.582 177.000 177.584 -0.004 0.000 1.146 325 A CA -0.738 51.307 52.037 0.013 0.000 0.800 325 A CB 0.609 19.713 19.000 0.172 0.000 1.220 325 A HN 0.858 nan 8.150 nan 0.000 0.472 326 L N 4.240 125.437 121.223 -0.044 0.000 2.433 326 L HA 0.329 4.668 4.340 -0.001 0.000 0.256 326 L C -2.381 174.491 176.870 0.003 0.000 1.063 326 L CA -1.727 53.096 54.840 -0.030 0.000 0.922 326 L CB 1.607 43.639 42.059 -0.045 0.000 1.238 326 L HN 0.507 nan 8.230 nan 0.000 0.466 327 P HA 0.162 nan 4.420 nan 0.000 0.275 327 P C -0.525 176.756 177.300 -0.031 0.000 1.228 327 P CA -0.174 62.972 63.100 0.077 0.000 0.786 327 P CB 2.086 33.766 31.700 -0.033 0.000 0.927 328 V N 4.082 123.973 119.914 -0.038 0.000 2.513 328 V HA 0.423 4.543 4.120 -0.001 0.000 0.299 328 V C 0.421 176.469 176.094 -0.077 0.000 1.035 328 V CA -0.618 61.649 62.300 -0.055 0.000 0.889 328 V CB 1.712 33.519 31.823 -0.028 0.000 0.988 328 V HN 0.444 nan 8.190 nan 0.000 0.440 329 I N 3.225 123.749 120.570 -0.077 0.000 2.689 329 I HA 0.506 4.675 4.170 -0.001 0.000 0.299 329 I C -0.240 175.861 176.117 -0.026 0.000 1.059 329 I CA -0.459 60.803 61.300 -0.063 0.000 1.055 329 I CB 2.257 40.205 38.000 -0.087 0.000 1.243 329 I HN 0.775 nan 8.210 nan 0.000 0.425 330 E N 3.798 123.998 120.200 0.000 0.000 2.176 330 E HA 0.468 4.818 4.350 -0.001 0.000 0.267 330 E C -0.941 175.682 176.600 0.038 0.000 0.893 330 E CA -0.420 55.991 56.400 0.019 0.000 0.761 330 E CB 1.662 31.377 29.700 0.024 0.000 1.133 330 E HN 0.685 nan 8.360 nan 0.000 0.409 331 T N 1.694 116.276 114.554 0.046 0.000 2.902 331 T HA 0.324 4.673 4.350 -0.001 0.000 0.283 331 T C -0.087 174.647 174.700 0.057 0.000 1.009 331 T CA -1.033 61.105 62.100 0.062 0.000 1.051 331 T CB 1.558 70.473 68.868 0.080 0.000 0.999 331 T HN 0.331 nan 8.240 nan 0.000 0.474 332 Q N 1.243 121.081 119.800 0.063 0.000 2.360 332 Q HA 0.413 4.752 4.340 -0.001 0.000 0.254 332 Q C 1.160 177.191 176.000 0.051 0.000 0.975 332 Q CA 0.240 56.076 55.803 0.055 0.000 0.912 332 Q CB 0.944 29.718 28.738 0.060 0.000 1.212 332 Q HN 1.316 nan 8.270 nan 0.000 0.452 333 G N 2.195 111.021 108.800 0.043 0.000 2.283 333 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.280 333 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.280 333 G C 0.803 175.730 174.900 0.045 0.000 1.029 333 G CA 0.801 45.924 45.100 0.039 0.000 0.840 333 G HN 1.233 nan 8.290 nan 0.000 0.505 334 G N -0.843 107.991 108.800 0.056 0.000 2.153 334 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.252 334 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.252 334 G C 0.260 175.200 174.900 0.066 0.000 0.994 334 G CA 0.967 46.106 45.100 0.066 0.000 0.698 334 G HN 1.350 nan 8.290 nan 0.000 0.521 335 D N 0.673 121.112 120.400 0.066 0.000 2.498 335 D HA 0.345 4.985 4.640 -0.001 0.000 0.229 335 D C 1.922 178.272 176.300 0.084 0.000 1.188 335 D CA 0.426 54.465 54.000 0.066 0.000 1.028 335 D CB 0.283 41.122 40.800 0.064 0.000 1.087 335 D HN 0.631 nan 8.370 nan 0.000 0.510 336 V N 0.693 120.662 119.914 0.091 0.000 3.305 336 V HA -0.024 4.096 4.120 -0.001 0.000 0.269 336 V C 1.649 177.806 176.094 0.105 0.000 1.157 336 V CA 0.801 63.177 62.300 0.127 0.000 1.157 336 V CB -0.177 31.754 31.823 0.179 0.000 0.772 336 V HN 0.255 nan 8.190 nan 0.000 0.498 337 S N 0.578 116.326 115.700 0.080 0.000 2.562 337 S HA 0.464 4.933 4.470 -0.001 0.000 0.221 337 S C 1.319 175.974 174.600 0.092 0.000 0.975 337 S CA 0.484 58.728 58.200 0.074 0.000 0.918 337 S CB -0.276 62.956 63.200 0.052 0.000 0.772 337 S HN 0.944 nan 8.310 nan 0.000 0.531 338 A N 0.573 123.456 122.820 0.105 0.000 2.366 338 A HA 0.333 4.653 4.320 -0.001 0.000 0.250 338 A C 0.923 178.616 177.584 0.182 0.000 1.099 338 A CA -0.215 51.902 52.037 0.133 0.000 0.794 338 A CB -0.198 18.878 19.000 0.126 0.000 1.056 338 A HN 0.321 nan 8.150 nan 0.000 0.499 339 Y N 0.668 120.991 120.300 0.038 0.000 2.036 339 Y HA -0.220 4.330 4.550 -0.001 0.000 0.273 339 Y C 2.011 177.906 175.900 -0.007 0.000 1.135 339 Y CA 2.209 60.315 58.100 0.011 0.000 1.106 339 Y CB -0.390 38.070 38.460 0.000 0.000 0.976 339 Y HN 0.472 nan 8.280 nan 0.000 0.483 340 I N 0.608 121.093 120.570 -0.140 0.000 2.179 340 I HA -0.181 3.989 4.170 -0.001 0.000 0.242 340 I C -0.372 175.710 176.117 -0.059 0.000 1.088 340 I CA 1.317 62.475 61.300 -0.237 0.000 1.357 340 I CB -2.884 34.965 38.000 -0.251 0.000 1.051 340 I HN 0.181 nan 8.210 nan 0.000 0.409 341 P HA -0.117 nan 4.420 nan 0.000 0.216 341 P C 1.874 179.206 177.300 0.054 0.000 1.150 341 P CA 1.701 64.817 63.100 0.026 0.000 0.843 341 P CB -0.126 31.614 31.700 0.066 0.000 0.787 342 T N -0.841 113.762 114.554 0.082 0.000 2.708 342 T HA -0.124 4.226 4.350 -0.001 0.000 0.266 342 T C 1.636 176.398 174.700 0.104 0.000 1.037 342 T CA 1.440 63.600 62.100 0.101 0.000 1.146 342 T CB -0.974 67.964 68.868 0.116 0.000 0.865 342 T HN 0.082 nan 8.240 nan 0.000 0.435 343 N N 0.972 119.734 118.700 0.103 0.000 2.037 343 N HA -0.108 4.631 4.740 -0.001 0.000 0.196 343 N C 1.844 177.494 175.510 0.233 0.000 1.034 343 N CA 1.060 54.237 53.050 0.212 0.000 0.861 343 N CB -0.858 37.738 38.487 0.182 0.000 1.039 343 N HN 0.218 nan 8.380 nan 0.000 0.427 344 V N 1.023 120.986 119.914 0.082 0.000 2.548 344 V HA -0.055 4.065 4.120 -0.001 0.000 0.249 344 V C 2.199 178.295 176.094 0.003 0.000 1.055 344 V CA 0.743 63.032 62.300 -0.019 0.000 1.065 344 V CB -0.346 31.371 31.823 -0.176 0.000 0.681 344 V HN 0.239 nan 8.190 nan 0.000 0.462 345 I N 0.142 120.733 120.570 0.034 0.000 2.264 345 I HA -0.253 3.916 4.170 -0.001 0.000 0.248 345 I C 2.548 178.711 176.117 0.077 0.000 1.111 345 I CA 1.597 62.926 61.300 0.049 0.000 1.382 345 I CB -0.253 37.808 38.000 0.100 0.000 1.060 345 I HN 0.253 nan 8.210 nan 0.000 0.418 346 S N 0.428 116.199 115.700 0.118 0.000 2.402 346 S HA -0.063 4.406 4.470 -0.001 0.000 0.229 346 S C 1.908 176.607 174.600 0.165 0.000 1.021 346 S CA 1.076 59.366 58.200 0.150 0.000 0.974 346 S CB -0.157 63.160 63.200 0.196 0.000 0.800 346 S HN 0.299 nan 8.310 nan 0.000 0.484 347 I N 1.275 121.936 120.570 0.152 0.000 2.193 347 I HA -0.089 4.081 4.170 -0.001 0.000 0.240 347 I C 1.598 177.735 176.117 0.033 0.000 1.084 347 I CA 0.743 62.091 61.300 0.080 0.000 1.365 347 I CB -0.709 37.281 38.000 -0.017 0.000 1.064 347 I HN 0.306 nan 8.210 nan 0.000 0.410 348 T N -1.549 113.008 114.554 0.006 0.000 2.748 348 T HA -0.021 4.328 4.350 -0.001 0.000 0.304 348 T C 0.561 175.267 174.700 0.010 0.000 1.041 348 T CA -0.345 61.750 62.100 -0.009 0.000 1.033 348 T CB 0.517 69.361 68.868 -0.039 0.000 0.995 348 T HN 0.148 nan 8.240 nan 0.000 0.536 349 D N 0.525 120.928 120.400 0.005 0.000 2.319 349 D HA 0.322 4.961 4.640 -0.001 0.000 0.230 349 D C 0.966 177.275 176.300 0.014 0.000 1.094 349 D CA 0.493 54.501 54.000 0.014 0.000 0.856 349 D CB 0.020 40.827 40.800 0.012 0.000 0.915 349 D HN 0.918 nan 8.370 nan 0.000 0.517 350 G N 0.311 109.113 108.800 0.003 0.000 2.352 350 G HA2 0.236 4.196 3.960 -0.001 0.000 0.302 350 G HA3 0.236 4.196 3.960 -0.001 0.000 0.302 350 G C -1.898 172.970 174.900 -0.053 0.000 1.370 350 G CA -0.901 44.200 45.100 0.002 0.000 0.918 350 G HN -0.005 nan 8.290 nan 0.000 0.610 351 Q N -0.990 118.761 119.800 -0.082 0.000 2.345 351 Q HA 0.690 5.029 4.340 -0.001 0.000 0.275 351 Q C -0.673 175.170 176.000 -0.263 0.000 1.063 351 Q CA -0.490 55.144 55.803 -0.281 0.000 0.819 351 Q CB 2.718 31.107 28.738 -0.582 0.000 1.356 351 Q HN 0.630 nan 8.270 nan 0.000 0.418 352 I N 2.593 122.980 120.570 -0.305 0.000 2.359 352 I HA 0.387 4.557 4.170 -0.001 0.000 0.284 352 I C -0.888 175.085 176.117 -0.240 0.000 1.018 352 I CA -0.536 60.665 61.300 -0.164 0.000 1.173 352 I CB 0.454 38.414 38.000 -0.067 0.000 1.326 352 I HN 0.449 nan 8.210 nan 0.000 0.462 353 F N 6.592 126.558 119.950 0.027 0.000 2.410 353 F HA 0.479 5.006 4.527 -0.001 0.000 0.348 353 F C 0.113 175.936 175.800 0.037 0.000 1.106 353 F CA -0.368 57.649 58.000 0.029 0.000 1.163 353 F CB 0.860 39.878 39.000 0.031 0.000 1.129 353 F HN 0.205 nan 8.300 nan 0.000 0.516 354 L N 3.505 124.846 121.223 0.197 0.000 2.362 354 L HA 0.518 4.857 4.340 -0.001 0.000 0.275 354 L C -0.746 176.206 176.870 0.138 0.000 0.998 354 L CA -0.566 54.359 54.840 0.140 0.000 0.820 354 L CB 2.021 44.128 42.059 0.079 0.000 1.270 354 L HN 0.593 nan 8.230 nan 0.000 0.415 355 E N 1.249 121.536 120.200 0.145 0.000 2.246 355 E HA 0.385 4.734 4.350 -0.001 0.000 0.266 355 E C 0.142 176.851 176.600 0.182 0.000 0.880 355 E CA -0.460 56.023 56.400 0.139 0.000 0.762 355 E CB 2.293 32.069 29.700 0.128 0.000 1.180 355 E HN 0.719 nan 8.360 nan 0.000 0.416 356 A N 3.040 125.960 122.820 0.166 0.000 1.908 356 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 356 A C 1.912 179.735 177.584 0.399 0.000 1.181 356 A CA 1.472 53.688 52.037 0.298 0.000 0.627 356 A CB -0.247 18.910 19.000 0.262 0.000 0.818 356 A HN 0.711 nan 8.150 nan 0.000 0.445 357 E N -0.049 120.293 120.200 0.237 0.000 2.086 357 E HA -0.219 4.131 4.350 -0.001 0.000 0.200 357 E C 1.957 178.677 176.600 0.201 0.000 1.012 357 E CA 1.726 58.239 56.400 0.188 0.000 0.812 357 E CB -0.249 29.518 29.700 0.111 0.000 0.743 357 E HN 0.680 nan 8.360 nan 0.000 0.453 358 L N -0.714 120.623 121.223 0.190 0.000 2.095 358 L HA -0.071 4.269 4.340 -0.001 0.000 0.204 358 L C 2.508 179.478 176.870 0.166 0.000 1.080 358 L CA 0.664 55.597 54.840 0.155 0.000 0.759 358 L CB -0.545 41.593 42.059 0.130 0.000 0.914 358 L HN 0.075 nan 8.230 nan 0.000 0.439 359 F N 0.314 120.287 119.950 0.039 0.000 2.087 359 F HA -0.333 4.194 4.527 -0.001 0.000 0.299 359 F C 2.201 177.915 175.800 -0.143 0.000 1.100 359 F CA 1.825 59.780 58.000 -0.074 0.000 1.226 359 F CB -0.295 38.624 39.000 -0.135 0.000 0.983 359 F HN -0.036 nan 8.300 nan 0.000 0.479 360 Y N -0.208 120.258 120.300 0.276 0.000 2.561 360 Y HA 0.033 4.582 4.550 -0.001 0.000 0.291 360 Y C 1.951 177.884 175.900 0.055 0.000 1.141 360 Y CA 0.783 58.980 58.100 0.162 0.000 1.303 360 Y CB -0.369 38.205 38.460 0.190 0.000 1.015 360 Y HN -0.022 nan 8.280 nan 0.000 0.547 361 K N -0.584 119.911 120.400 0.159 0.000 2.487 361 K HA 0.123 4.443 4.320 -0.001 0.000 0.192 361 K C 1.430 178.040 176.600 0.016 0.000 1.027 361 K CA 0.674 57.013 56.287 0.086 0.000 1.054 361 K CB -0.051 32.500 32.500 0.085 0.000 0.824 361 K HN 0.430 nan 8.250 nan 0.000 0.510 362 G N 1.283 110.047 108.800 -0.061 0.000 2.254 362 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.225 362 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.225 362 G C 0.250 175.065 174.900 -0.142 0.000 1.003 362 G CA -0.323 44.704 45.100 -0.121 0.000 0.622 362 G HN 0.225 nan 8.290 nan 0.000 0.507 363 I N 1.820 122.343 120.570 -0.079 0.000 2.671 363 I HA 0.297 4.466 4.170 -0.001 0.000 0.285 363 I C 0.783 176.842 176.117 -0.098 0.000 1.148 363 I CA 0.546 61.816 61.300 -0.049 0.000 1.386 363 I CB 0.312 38.323 38.000 0.018 0.000 1.406 363 I HN 0.132 nan 8.210 nan 0.000 0.540 364 R N 7.071 127.511 120.500 -0.100 0.000 2.574 364 R HA 0.453 4.793 4.340 -0.001 0.000 0.288 364 R C -2.641 173.639 176.300 -0.033 0.000 1.004 364 R CA -1.572 54.468 56.100 -0.100 0.000 0.895 364 R CB 1.817 31.992 30.300 -0.209 0.000 1.191 364 R HN 0.190 nan 8.270 nan 0.000 0.444 365 P HA 0.046 nan 4.420 nan 0.000 0.269 365 P C -0.606 176.738 177.300 0.073 0.000 1.215 365 P CA -0.127 62.999 63.100 0.043 0.000 0.780 365 P CB 0.791 32.515 31.700 0.041 0.000 0.898 366 A N 3.565 126.472 122.820 0.145 0.000 2.958 366 A HA 0.137 4.457 4.320 -0.001 0.000 0.247 366 A C 0.407 178.074 177.584 0.138 0.000 1.679 366 A CA -0.108 52.028 52.037 0.166 0.000 1.345 366 A CB -1.589 17.578 19.000 0.279 0.000 1.013 366 A HN 0.456 nan 8.150 nan 0.000 0.641 367 I N 1.421 122.057 120.570 0.110 0.000 2.363 367 I HA 0.018 4.187 4.170 -0.001 0.000 0.292 367 I C 0.638 176.831 176.117 0.126 0.000 1.075 367 I CA -0.402 60.968 61.300 0.116 0.000 1.333 367 I CB 0.417 38.471 38.000 0.090 0.000 1.415 367 I HN 0.371 nan 8.210 nan 0.000 0.502 368 N N 6.812 125.607 118.700 0.159 0.000 2.400 368 N HA -0.003 4.736 4.740 -0.001 0.000 0.278 368 N C 0.948 176.532 175.510 0.124 0.000 1.247 368 N CA 0.147 53.273 53.050 0.127 0.000 0.970 368 N CB 1.084 39.635 38.487 0.108 0.000 1.312 368 N HN 0.442 nan 8.380 nan 0.000 0.488 369 V N 3.605 123.577 119.914 0.096 0.000 2.469 369 V HA -0.193 3.927 4.120 -0.001 0.000 0.251 369 V C 2.308 178.447 176.094 0.075 0.000 1.064 369 V CA 2.200 64.554 62.300 0.090 0.000 1.066 369 V CB -0.794 31.078 31.823 0.083 0.000 0.667 369 V HN 0.726 nan 8.190 nan 0.000 0.461 370 G N -0.377 108.450 108.800 0.045 0.000 2.394 370 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.214 370 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.214 370 G C 1.545 176.449 174.900 0.007 0.000 1.176 370 G CA 0.703 45.813 45.100 0.016 0.000 0.786 370 G HN 0.477 nan 8.290 nan 0.000 0.533 371 L N 0.940 122.142 121.223 -0.034 0.000 2.162 371 L HA 0.120 4.460 4.340 -0.001 0.000 0.205 371 L C 1.177 178.187 176.870 0.233 0.000 1.086 371 L CA 0.018 54.789 54.840 -0.116 0.000 0.778 371 L CB -0.262 41.369 42.059 -0.713 0.000 0.928 371 L HN -0.001 nan 8.230 nan 0.000 0.446 372 S N 0.774 116.683 115.700 0.348 0.000 2.516 372 S HA 0.327 4.797 4.470 -0.001 0.000 0.282 372 S C -0.149 174.563 174.600 0.187 0.000 1.286 372 S CA -0.405 58.000 58.200 0.342 0.000 1.066 372 S CB 0.787 64.128 63.200 0.235 0.000 0.884 372 S HN 0.140 nan 8.310 nan 0.000 0.491 373 V N 0.490 120.496 119.914 0.154 0.000 3.049 373 V HA 0.816 4.935 4.120 -0.001 0.000 0.309 373 V C -0.271 175.858 176.094 0.058 0.000 1.148 373 V CA -0.923 61.434 62.300 0.095 0.000 0.990 373 V CB 2.055 33.933 31.823 0.092 0.000 1.039 373 V HN 0.645 nan 8.190 nan 0.000 0.430 374 S N 1.646 117.372 115.700 0.044 0.000 2.516 374 S HA 0.431 4.901 4.470 -0.001 0.000 0.268 374 S C 0.873 175.491 174.600 0.029 0.000 1.251 374 S CA -0.653 57.563 58.200 0.027 0.000 1.153 374 S CB 0.519 63.730 63.200 0.018 0.000 1.009 374 S HN 0.792 nan 8.310 nan 0.000 0.479 375 R N 2.309 122.828 120.500 0.031 0.000 2.159 375 R HA -0.068 4.271 4.340 -0.001 0.000 0.237 375 R C 1.666 177.982 176.300 0.026 0.000 1.131 375 R CA 1.508 57.627 56.100 0.032 0.000 0.982 375 R CB -0.301 30.019 30.300 0.034 0.000 0.868 375 R HN 0.566 nan 8.270 nan 0.000 0.453 376 V N 0.038 119.964 119.914 0.020 0.000 2.548 376 V HA -0.049 4.071 4.120 -0.001 0.000 0.249 376 V C 1.627 177.732 176.094 0.018 0.000 1.055 376 V CA 1.304 63.615 62.300 0.018 0.000 1.065 376 V CB -0.959 30.871 31.823 0.011 0.000 0.681 376 V HN 0.707 nan 8.190 nan 0.000 0.462 377 G N 0.940 109.751 108.800 0.018 0.000 2.566 377 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.280 377 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.280 377 G C 1.028 175.939 174.900 0.018 0.000 1.225 377 G CA 0.972 46.086 45.100 0.022 0.000 0.966 377 G HN 1.052 nan 8.290 nan 0.000 0.560 378 S N 0.292 116.005 115.700 0.022 0.000 2.595 378 S HA 0.338 4.808 4.470 -0.001 0.000 0.235 378 S C 2.244 176.856 174.600 0.019 0.000 0.974 378 S CA 1.354 59.567 58.200 0.021 0.000 0.942 378 S CB -0.172 63.043 63.200 0.025 0.000 0.766 378 S HN 2.050 nan 8.310 nan 0.000 0.536 379 A N 0.424 123.256 122.820 0.021 0.000 2.169 379 A HA 0.691 5.011 4.320 -0.001 0.000 0.212 379 A C 1.800 179.397 177.584 0.021 0.000 1.153 379 A CA 0.582 52.636 52.037 0.028 0.000 0.756 379 A CB -0.439 18.581 19.000 0.034 0.000 0.813 379 A HN 0.914 nan 8.150 nan 0.000 0.471 380 A N -0.734 122.087 122.820 0.002 0.000 2.713 380 A HA 0.505 4.825 4.320 -0.001 0.000 0.296 380 A C 0.192 177.752 177.584 -0.040 0.000 1.255 380 A CA -0.152 51.868 52.037 -0.028 0.000 0.955 380 A CB -0.124 18.859 19.000 -0.029 0.000 1.149 380 A HN 0.458 nan 8.150 nan 0.000 0.538 381 Q N 0.350 120.135 119.800 -0.025 0.000 2.315 381 Q HA 0.490 4.830 4.340 -0.001 0.000 0.273 381 Q C -1.339 174.653 176.000 -0.013 0.000 1.053 381 Q CA -0.594 55.199 55.803 -0.017 0.000 0.817 381 Q CB 2.412 31.152 28.738 0.003 0.000 1.326 381 Q HN 0.130 nan 8.270 nan 0.000 0.423 382 V N 4.831 124.737 119.914 -0.013 0.000 2.617 382 V HA -0.103 4.017 4.120 -0.001 0.000 0.304 382 V C 1.635 177.735 176.094 0.011 0.000 1.040 382 V CA 0.323 62.621 62.300 -0.004 0.000 1.149 382 V CB 0.526 32.354 31.823 0.008 0.000 0.914 382 V HN 0.859 nan 8.190 nan 0.000 0.487 383 K N 3.872 124.279 120.400 0.011 0.000 2.059 383 K HA -0.238 4.082 4.320 -0.001 0.000 0.212 383 K C 2.098 178.711 176.600 0.023 0.000 1.050 383 K CA 1.927 58.224 56.287 0.017 0.000 0.927 383 K CB -0.425 32.084 32.500 0.014 0.000 0.714 383 K HN 0.885 nan 8.250 nan 0.000 0.447 384 A N 0.684 123.517 122.820 0.022 0.000 2.121 384 A HA -0.123 4.197 4.320 -0.001 0.000 0.218 384 A C 1.980 179.588 177.584 0.040 0.000 1.154 384 A CA 0.901 52.953 52.037 0.026 0.000 0.679 384 A CB -0.191 18.821 19.000 0.020 0.000 0.795 384 A HN 0.220 nan 8.150 nan 0.000 0.458 385 L N -0.377 120.871 121.223 0.041 0.000 2.145 385 L HA 0.099 4.439 4.340 -0.001 0.000 0.201 385 L C 2.142 179.042 176.870 0.050 0.000 1.075 385 L CA 2.097 56.967 54.840 0.050 0.000 0.773 385 L CB -0.685 41.402 42.059 0.046 0.000 0.936 385 L HN 0.401 nan 8.230 nan 0.000 0.451 386 K N -0.611 119.813 120.400 0.039 0.000 2.074 386 K HA -0.251 4.069 4.320 -0.001 0.000 0.209 386 K C 1.955 178.582 176.600 0.044 0.000 1.048 386 K CA 2.010 58.320 56.287 0.038 0.000 0.926 386 K CB -0.042 32.476 32.500 0.030 0.000 0.713 386 K HN 0.514 nan 8.250 nan 0.000 0.444 387 Q N 0.075 119.904 119.800 0.048 0.000 2.050 387 Q HA -0.132 4.207 4.340 -0.001 0.000 0.202 387 Q C 2.145 178.192 176.000 0.078 0.000 0.980 387 Q CA 1.916 57.752 55.803 0.056 0.000 0.840 387 Q CB -0.093 28.677 28.738 0.052 0.000 0.898 387 Q HN 0.375 nan 8.270 nan 0.000 0.424 388 V N -2.580 117.394 119.914 0.099 0.000 2.871 388 V HA 0.120 4.239 4.120 -0.001 0.000 0.256 388 V C 1.544 177.686 176.094 0.080 0.000 1.082 388 V CA 1.332 63.713 62.300 0.135 0.000 1.105 388 V CB -0.476 31.464 31.823 0.196 0.000 0.713 388 V HN 0.226 nan 8.190 nan 0.000 0.473 389 A N 0.818 123.677 122.820 0.064 0.000 2.545 389 A HA 0.646 4.966 4.320 -0.001 0.000 0.277 389 A C 1.216 178.825 177.584 0.043 0.000 1.301 389 A CA 0.338 52.406 52.037 0.050 0.000 0.935 389 A CB -0.913 18.120 19.000 0.055 0.000 1.093 389 A HN 0.677 nan 8.150 nan 0.000 0.519 390 G N -1.129 107.693 108.800 0.036 0.000 2.365 390 G HA2 0.372 4.331 3.960 -0.001 0.000 0.249 390 G HA3 0.372 4.331 3.960 -0.001 0.000 0.249 390 G C 0.723 175.641 174.900 0.030 0.000 1.288 390 G CA 0.675 45.795 45.100 0.032 0.000 0.887 390 G HN 1.044 nan 8.290 nan 0.000 0.524 391 S N 0.793 116.521 115.700 0.046 0.000 3.402 391 S HA -0.230 4.239 4.470 -0.001 0.000 0.329 391 S C 1.619 176.284 174.600 0.109 0.000 1.194 391 S CA 1.102 59.344 58.200 0.070 0.000 0.951 391 S CB -1.017 62.219 63.200 0.059 0.000 0.975 391 S HN 1.110 nan 8.310 nan 0.000 0.574 392 L N 1.249 122.526 121.223 0.090 0.000 2.156 392 L HA 0.212 4.551 4.340 -0.001 0.000 0.208 392 L C 2.034 178.999 176.870 0.158 0.000 1.095 392 L CA 2.499 57.413 54.840 0.123 0.000 0.770 392 L CB -0.493 41.611 42.059 0.074 0.000 0.914 392 L HN 0.408 nan 8.230 nan 0.000 0.439 393 K N -0.794 119.675 120.400 0.115 0.000 2.076 393 K HA -0.072 4.248 4.320 -0.001 0.000 0.204 393 K C 2.149 178.808 176.600 0.098 0.000 1.051 393 K CA 1.109 57.456 56.287 0.099 0.000 0.949 393 K CB -0.104 32.443 32.500 0.077 0.000 0.726 393 K HN 0.376 nan 8.250 nan 0.000 0.443 394 L N 0.624 121.910 121.223 0.104 0.000 2.141 394 L HA -0.133 4.207 4.340 -0.001 0.000 0.209 394 L C 2.180 179.123 176.870 0.122 0.000 1.094 394 L CA 0.923 55.819 54.840 0.093 0.000 0.763 394 L CB -0.191 41.919 42.059 0.085 0.000 0.908 394 L HN 0.205 nan 8.230 nan 0.000 0.437 395 F N -0.055 119.910 119.950 0.025 0.000 2.098 395 F HA -0.207 4.319 4.527 -0.001 0.000 0.294 395 F C 2.086 177.924 175.800 0.063 0.000 1.107 395 F CA 1.411 59.428 58.000 0.027 0.000 1.234 395 F CB -0.068 38.932 39.000 -0.001 0.000 1.002 395 F HN -0.130 nan 8.300 nan 0.000 0.472 396 L N 0.181 121.399 121.223 -0.008 0.000 2.261 396 L HA -0.215 4.124 4.340 -0.001 0.000 0.216 396 L C 2.592 179.458 176.870 -0.006 0.000 1.114 396 L CA 0.930 55.745 54.840 -0.041 0.000 0.777 396 L CB -0.801 41.301 42.059 0.072 0.000 0.910 396 L HN 0.340 nan 8.230 nan 0.000 0.440 397 A N -0.825 121.984 122.820 -0.018 0.000 1.898 397 A HA -0.193 4.126 4.320 -0.001 0.000 0.214 397 A C 2.147 179.691 177.584 -0.067 0.000 1.183 397 A CA 1.033 53.058 52.037 -0.021 0.000 0.622 397 A CB -0.254 18.748 19.000 0.004 0.000 0.824 397 A HN 0.398 nan 8.150 nan 0.000 0.444 398 Q N -2.096 117.639 119.800 -0.109 0.000 2.435 398 Q HA -0.061 4.278 4.340 -0.001 0.000 0.207 398 Q C 1.588 177.476 176.000 -0.188 0.000 0.956 398 Q CA 1.004 56.728 55.803 -0.131 0.000 0.917 398 Q CB -0.211 28.472 28.738 -0.091 0.000 0.997 398 Q HN 0.867 nan 8.270 nan 0.000 0.497 399 Y N 0.465 120.525 120.300 -0.401 0.000 2.243 399 Y HA -0.060 4.489 4.550 -0.001 0.000 0.293 399 Y C 1.661 177.452 175.900 -0.182 0.000 1.124 399 Y CA 1.324 59.203 58.100 -0.370 0.000 1.159 399 Y CB 0.164 38.339 38.460 -0.475 0.000 1.008 399 Y HN -0.132 nan 8.280 nan 0.000 0.527 400 R N 0.081 120.348 120.500 -0.388 0.000 2.090 400 R HA -0.139 4.200 4.340 -0.001 0.000 0.228 400 R C 2.123 178.282 176.300 -0.234 0.000 1.110 400 R CA 1.313 57.179 56.100 -0.390 0.000 0.973 400 R CB -0.305 29.876 30.300 -0.198 0.000 0.869 400 R HN 0.350 nan 8.270 nan 0.000 0.440 401 E N 1.002 121.109 120.200 -0.155 0.000 2.097 401 E HA -0.162 4.187 4.350 -0.001 0.000 0.196 401 E C 1.646 178.206 176.600 -0.068 0.000 1.000 401 E CA 1.478 57.825 56.400 -0.088 0.000 0.804 401 E CB -0.056 29.599 29.700 -0.074 0.000 0.740 401 E HN 0.076 nan 8.360 nan 0.000 0.454 402 V N 0.430 120.281 119.914 -0.106 0.000 2.788 402 V HA -0.004 4.115 4.120 -0.001 0.000 0.251 402 V C 2.248 178.316 176.094 -0.043 0.000 1.068 402 V CA 1.279 63.556 62.300 -0.039 0.000 1.090 402 V CB -0.436 31.360 31.823 -0.045 0.000 0.710 402 V HN 0.463 nan 8.190 nan 0.000 0.467 403 A N 0.005 122.702 122.820 -0.206 0.000 2.067 403 A HA 0.067 4.387 4.320 -0.001 0.000 0.219 403 A C 2.249 179.743 177.584 -0.150 0.000 1.158 403 A CA 1.650 53.544 52.037 -0.239 0.000 0.661 403 A CB -0.342 18.389 19.000 -0.447 0.000 0.801 403 A HN 0.533 nan 8.150 nan 0.000 0.452 404 A N -1.754 121.011 122.820 -0.092 0.000 2.081 404 A HA 0.257 4.577 4.320 -0.001 0.000 0.214 404 A C 1.766 179.348 177.584 -0.004 0.000 1.158 404 A CA 0.814 52.835 52.037 -0.027 0.000 0.724 404 A CB -0.505 18.503 19.000 0.013 0.000 0.826 404 A HN 0.611 nan 8.150 nan 0.000 0.463 405 F N 1.077 120.908 119.950 -0.199 0.000 2.206 405 F HA 0.110 4.638 4.527 0.002 0.000 0.298 405 F C 2.108 177.467 175.800 -0.736 0.000 1.090 405 F CA 1.204 58.964 58.000 -0.401 0.000 1.323 405 F CB -0.157 38.707 39.000 -0.228 0.000 1.028 405 F HN 0.186 nan 8.300 nan 0.000 0.492 406 A N -0.114 122.402 122.820 -0.506 0.000 2.238 406 A HA -0.001 4.319 4.320 -0.001 0.000 0.208 406 A C 2.042 179.390 177.584 -0.394 0.000 1.177 406 A CA 0.296 52.024 52.037 -0.514 0.000 0.804 406 A CB -0.550 18.311 19.000 -0.231 0.000 0.823 406 A HN 0.466 nan 8.150 nan 0.000 0.482 407 Q N -0.305 119.304 119.800 -0.318 0.000 2.084 407 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 407 Q C 0.410 176.365 176.000 -0.075 0.000 0.978 407 Q CA 1.191 56.913 55.803 -0.135 0.000 0.844 407 Q CB -0.317 28.409 28.738 -0.021 0.000 0.898 407 Q HN 0.884 nan 8.270 nan 0.000 0.426 408 F N 0.137 119.999 119.950 -0.147 0.000 2.626 408 F HA 0.536 5.061 4.527 -0.003 0.000 0.353 408 F C 0.756 176.430 175.800 -0.210 0.000 1.230 408 F CA -0.957 56.952 58.000 -0.151 0.000 1.298 408 F CB -0.527 38.396 39.000 -0.128 0.000 1.670 408 F HN -0.195 nan 8.300 nan 0.000 0.633 409 G N 1.797 110.466 108.800 -0.218 0.000 2.113 409 G HA2 0.204 4.164 3.960 -0.001 0.000 0.263 409 G HA3 0.204 4.164 3.960 -0.001 0.000 0.263 409 G C -0.123 174.644 174.900 -0.222 0.000 0.954 409 G CA 0.413 45.363 45.100 -0.250 0.000 0.996 409 G HN 0.736 nan 8.290 nan 0.000 0.381 410 S N 0.790 116.296 115.700 -0.323 0.000 2.851 410 S HA 0.460 4.930 4.470 -0.001 0.000 0.317 410 S C -0.565 173.946 174.600 -0.148 0.000 1.144 410 S CA -0.696 57.379 58.200 -0.209 0.000 0.862 410 S CB 1.436 64.497 63.200 -0.232 0.000 1.259 410 S HN 0.637 nan 8.310 nan 0.000 0.564 411 D N 1.017 121.378 120.400 -0.066 0.000 2.414 411 D HA 0.298 4.938 4.640 -0.001 0.000 0.242 411 D C -0.795 175.516 176.300 0.019 0.000 1.129 411 D CA 0.353 54.344 54.000 -0.016 0.000 0.885 411 D CB 0.215 41.021 40.800 0.010 0.000 1.198 411 D HN 0.388 nan 8.370 nan 0.000 0.437 412 L N 3.059 124.295 121.223 0.022 0.000 2.296 412 L HA 0.393 4.733 4.340 -0.001 0.000 0.286 412 L C 0.302 177.200 176.870 0.046 0.000 1.023 412 L CA -0.955 53.916 54.840 0.051 0.000 0.812 412 L CB 1.440 43.515 42.059 0.027 0.000 1.223 412 L HN 0.426 nan 8.230 nan 0.000 0.421 413 D N 2.092 122.528 120.400 0.059 0.000 2.567 413 D HA 0.494 5.133 4.640 -0.001 0.000 0.275 413 D C 1.126 177.439 176.300 0.023 0.000 1.195 413 D CA -0.263 53.759 54.000 0.036 0.000 1.087 413 D CB 0.778 41.600 40.800 0.036 0.000 1.165 413 D HN 0.381 nan 8.370 nan 0.000 0.609 414 A N -0.310 122.518 122.820 0.012 0.000 1.908 414 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 414 A C 2.124 179.711 177.584 0.006 0.000 1.181 414 A CA 1.987 54.028 52.037 0.005 0.000 0.627 414 A CB -1.112 17.888 19.000 -0.000 0.000 0.818 414 A HN 0.408 nan 8.150 nan 0.000 0.445 415 S N -0.678 115.024 115.700 0.003 0.000 2.336 415 S HA -0.110 4.359 4.470 -0.001 0.000 0.216 415 S C 2.338 176.947 174.600 0.015 0.000 1.032 415 S CA 1.882 60.083 58.200 0.001 0.000 0.973 415 S CB -0.637 62.551 63.200 -0.021 0.000 0.888 415 S HN 0.876 nan 8.310 nan 0.000 0.455 416 T N 2.070 116.633 114.554 0.016 0.000 2.777 416 T HA -0.129 4.221 4.350 -0.001 0.000 0.266 416 T C 1.696 176.432 174.700 0.060 0.000 1.040 416 T CA 1.580 63.705 62.100 0.042 0.000 1.141 416 T CB -0.515 68.410 68.868 0.096 0.000 0.868 416 T HN 0.552 nan 8.240 nan 0.000 0.444 417 K N 1.486 121.915 120.400 0.049 0.000 2.362 417 K HA -0.122 4.198 4.320 -0.001 0.000 0.200 417 K C 2.343 178.964 176.600 0.035 0.000 1.046 417 K CA 1.375 57.685 56.287 0.038 0.000 0.952 417 K CB -0.222 32.293 32.500 0.024 0.000 0.753 417 K HN 0.511 nan 8.250 nan 0.000 0.466 418 Q N 1.491 121.312 119.800 0.036 0.000 1.994 418 Q HA -0.121 4.218 4.340 -0.001 0.000 0.198 418 Q C 1.958 178.003 176.000 0.076 0.000 0.976 418 Q CA 2.677 58.500 55.803 0.034 0.000 0.828 418 Q CB -0.841 27.908 28.738 0.019 0.000 0.894 418 Q HN 0.412 nan 8.270 nan 0.000 0.432 419 T N -1.027 113.599 114.554 0.120 0.000 2.951 419 T HA -0.039 4.311 4.350 -0.001 0.000 0.268 419 T C 1.767 176.589 174.700 0.203 0.000 1.073 419 T CA 0.905 63.139 62.100 0.222 0.000 1.134 419 T CB -0.325 68.671 68.868 0.214 0.000 0.884 419 T HN 0.231 nan 8.240 nan 0.000 0.479 420 L N 1.150 122.469 121.223 0.160 0.000 2.027 420 L HA 0.077 4.417 4.340 -0.001 0.000 0.206 420 L C 2.631 179.592 176.870 0.151 0.000 1.074 420 L CA 1.276 56.240 54.840 0.206 0.000 0.745 420 L CB -0.472 41.662 42.059 0.126 0.000 0.898 420 L HN 0.115 nan 8.230 nan 0.000 0.433 421 V N -0.178 119.783 119.914 0.078 0.000 2.358 421 V HA -0.256 3.863 4.120 -0.001 0.000 0.246 421 V C 2.702 178.791 176.094 -0.008 0.000 1.047 421 V CA 1.989 64.303 62.300 0.025 0.000 1.035 421 V CB -0.715 31.109 31.823 0.002 0.000 0.658 421 V HN 0.509 nan 8.190 nan 0.000 0.452 422 R N 0.611 121.125 120.500 0.023 0.000 2.075 422 R HA -0.140 4.200 4.340 -0.001 0.000 0.230 422 R C 2.333 178.624 176.300 -0.015 0.000 1.140 422 R CA 2.057 58.164 56.100 0.012 0.000 0.928 422 R CB -0.936 29.418 30.300 0.091 0.000 0.834 422 R HN 0.480 nan 8.270 nan 0.000 0.429 423 G N -0.097 108.681 108.800 -0.037 0.000 2.470 423 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.220 423 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.220 423 G C 1.221 175.592 174.900 -0.880 0.000 1.121 423 G CA 0.696 45.459 45.100 -0.561 0.000 0.766 423 G HN 0.494 nan 8.290 nan 0.000 0.553 424 E N -0.254 119.699 120.200 -0.412 0.000 2.208 424 E HA 0.007 4.357 4.350 -0.001 0.000 0.193 424 E C 2.616 179.131 176.600 -0.142 0.000 0.988 424 E CA 0.486 56.780 56.400 -0.176 0.000 0.828 424 E CB 0.065 29.767 29.700 0.002 0.000 0.763 424 E HN 0.336 nan 8.360 nan 0.000 0.478 425 R N -0.676 119.737 120.500 -0.144 0.000 2.173 425 R HA 0.114 4.453 4.340 -0.001 0.000 0.208 425 R C 2.078 178.312 176.300 -0.111 0.000 1.035 425 R CA 0.296 56.325 56.100 -0.120 0.000 1.004 425 R CB 0.164 30.382 30.300 -0.137 0.000 0.917 425 R HN 0.153 nan 8.270 nan 0.000 0.462 426 L N -0.507 120.644 121.223 -0.120 0.000 2.023 426 L HA -0.106 4.234 4.340 -0.001 0.000 0.205 426 L C 2.071 178.903 176.870 -0.062 0.000 1.073 426 L CA 1.323 56.119 54.840 -0.073 0.000 0.745 426 L CB -0.545 41.497 42.059 -0.029 0.000 0.900 426 L HN 0.161 nan 8.230 nan 0.000 0.435 427 T N -0.962 113.523 114.554 -0.115 0.000 2.653 427 T HA -0.336 4.014 4.350 -0.001 0.000 0.268 427 T C 1.837 176.525 174.700 -0.021 0.000 1.035 427 T CA 1.848 63.914 62.100 -0.057 0.000 1.154 427 T CB -0.208 68.626 68.868 -0.056 0.000 0.862 427 T HN 0.185 nan 8.240 nan 0.000 0.441 428 Q N 0.406 120.185 119.800 -0.035 0.000 2.079 428 Q HA 0.016 4.356 4.340 -0.001 0.000 0.200 428 Q C 2.099 178.099 176.000 -0.000 0.000 0.974 428 Q CA 1.105 56.898 55.803 -0.016 0.000 0.840 428 Q CB -0.711 28.010 28.738 -0.027 0.000 0.898 428 Q HN 0.462 nan 8.270 nan 0.000 0.430 429 L N -0.501 120.720 121.223 -0.005 0.000 2.191 429 L HA -0.022 4.318 4.340 -0.001 0.000 0.212 429 L C 1.446 178.340 176.870 0.040 0.000 1.103 429 L CA 1.500 56.357 54.840 0.028 0.000 0.769 429 L CB -0.143 41.927 42.059 0.019 0.000 0.908 429 L HN 0.294 nan 8.230 nan 0.000 0.438 430 L N -0.800 120.438 121.223 0.026 0.000 2.591 430 L HA 0.055 4.395 4.340 -0.001 0.000 0.228 430 L C 0.883 177.769 176.870 0.025 0.000 1.133 430 L CA -0.103 54.757 54.840 0.032 0.000 0.880 430 L CB -0.384 41.694 42.059 0.033 0.000 1.033 430 L HN 0.094 nan 8.230 nan 0.000 0.450 431 K N 1.461 121.871 120.400 0.017 0.000 2.382 431 K HA 0.145 4.465 4.320 -0.001 0.000 0.275 431 K C -0.111 176.497 176.600 0.013 0.000 1.009 431 K CA 0.390 56.679 56.287 0.004 0.000 0.970 431 K CB 0.709 33.206 32.500 -0.004 0.000 0.934 431 K HN 0.014 nan 8.250 nan 0.000 0.479 432 Q N 2.460 122.260 119.800 0.000 0.000 2.281 432 Q HA 0.163 4.502 4.340 -0.001 0.000 0.263 432 Q C -1.564 174.434 176.000 -0.003 0.000 0.989 432 Q CA -0.695 55.114 55.803 0.009 0.000 0.852 432 Q CB 1.286 30.033 28.738 0.016 0.000 1.337 432 Q HN 0.528 nan 8.270 nan 0.000 0.418 433 N N 2.305 121.012 118.700 0.012 0.000 2.454 433 N HA 0.004 4.743 4.740 -0.001 0.000 0.254 433 N C -0.613 174.907 175.510 0.017 0.000 1.228 433 N CA 0.198 53.260 53.050 0.020 0.000 0.900 433 N CB 0.661 39.174 38.487 0.044 0.000 1.089 433 N HN 0.484 nan 8.380 nan 0.000 0.449 434 Q N 1.064 120.873 119.800 0.015 0.000 2.454 434 Q HA -0.020 4.319 4.340 -0.001 0.000 0.247 434 Q C -0.301 175.733 176.000 0.057 0.000 1.028 434 Q CA -0.076 55.687 55.803 -0.067 0.000 0.910 434 Q CB 0.261 28.931 28.738 -0.113 0.000 1.276 434 Q HN 0.691 nan 8.270 nan 0.000 0.489 435 Y N -0.835 119.452 120.300 -0.022 0.000 4.538 435 Y HA -0.278 4.271 4.550 -0.001 0.000 0.225 435 Y C -0.261 175.649 175.900 0.017 0.000 1.074 435 Y CA 0.938 59.014 58.100 -0.041 0.000 1.942 435 Y CB -1.841 36.625 38.460 0.010 0.000 1.618 435 Y HN 0.308 nan 8.280 nan 0.000 0.642 436 S N 0.313 116.068 115.700 0.092 0.000 2.158 436 S HA 0.402 4.872 4.470 -0.001 0.000 0.160 436 S C -2.473 172.152 174.600 0.041 0.000 1.693 436 S CA -1.063 57.186 58.200 0.081 0.000 1.251 436 S CB 1.465 64.713 63.200 0.080 0.000 1.153 436 S HN -0.058 nan 8.310 nan 0.000 0.439 437 P HA 0.436 nan 4.420 nan 0.000 0.276 437 P C -0.810 176.506 177.300 0.026 0.000 1.244 437 P CA -0.551 62.565 63.100 0.026 0.000 0.801 437 P CB 0.714 32.430 31.700 0.026 0.000 1.006 438 L N 0.791 122.032 121.223 0.030 0.000 2.362 438 L HA 0.653 4.993 4.340 -0.001 0.000 0.271 438 L C 0.554 177.441 176.870 0.027 0.000 1.002 438 L CA -1.252 53.602 54.840 0.025 0.000 0.818 438 L CB 1.824 43.905 42.059 0.037 0.000 1.298 438 L HN 0.382 nan 8.230 nan 0.000 0.420 439 A N 1.199 124.020 122.820 0.001 0.000 2.429 439 A HA 0.264 4.584 4.320 -0.001 0.000 0.242 439 A C 1.167 178.779 177.584 0.046 0.000 1.088 439 A CA 0.135 52.175 52.037 0.006 0.000 0.784 439 A CB 0.163 19.138 19.000 -0.042 0.000 1.038 439 A HN 0.874 nan 8.150 nan 0.000 0.501 440 T N 0.579 115.180 114.554 0.077 0.000 2.915 440 T HA -0.107 4.243 4.350 -0.001 0.000 0.269 440 T C 1.403 176.135 174.700 0.054 0.000 1.071 440 T CA 1.394 63.541 62.100 0.078 0.000 1.132 440 T CB -0.170 68.757 68.868 0.098 0.000 0.878 440 T HN 0.854 nan 8.240 nan 0.000 0.479 441 E N 1.899 122.120 120.200 0.035 0.000 2.482 441 E HA -0.096 4.253 4.350 -0.001 0.000 0.196 441 E C 1.257 177.863 176.600 0.011 0.000 1.047 441 E CA 0.692 57.101 56.400 0.014 0.000 0.869 441 E CB -0.120 29.576 29.700 -0.007 0.000 0.836 441 E HN 0.618 nan 8.360 nan 0.000 0.520 442 E N 0.841 121.054 120.200 0.022 0.000 2.162 442 E HA -0.020 4.330 4.350 -0.001 0.000 0.193 442 E C 2.122 178.765 176.600 0.071 0.000 0.953 442 E CA 0.239 56.657 56.400 0.030 0.000 0.849 442 E CB 0.019 29.730 29.700 0.018 0.000 0.810 442 E HN 0.289 nan 8.360 nan 0.000 0.470 443 Q N 0.794 120.637 119.800 0.072 0.000 2.084 443 Q HA -0.119 4.220 4.340 -0.001 0.000 0.202 443 Q C 2.404 178.469 176.000 0.108 0.000 0.978 443 Q CA 1.277 57.133 55.803 0.089 0.000 0.844 443 Q CB -0.058 28.726 28.738 0.076 0.000 0.898 443 Q HN 0.094 nan 8.270 nan 0.000 0.426 444 V N 1.413 121.384 119.914 0.095 0.000 2.287 444 V HA -0.204 3.915 4.120 -0.001 0.000 0.248 444 V C -0.840 175.348 176.094 0.156 0.000 1.053 444 V CA 2.043 64.405 62.300 0.105 0.000 1.027 444 V CB -1.443 30.419 31.823 0.065 0.000 0.646 444 V HN 0.281 nan 8.190 nan 0.000 0.447 445 P HA -0.083 nan 4.420 nan 0.000 0.216 445 P C 1.954 179.476 177.300 0.370 0.000 1.153 445 P CA 1.269 64.537 63.100 0.281 0.000 0.844 445 P CB -0.060 31.801 31.700 0.268 0.000 0.787 446 L N -1.067 120.344 121.223 0.313 0.000 2.012 446 L HA -0.187 4.153 4.340 -0.001 0.000 0.210 446 L C 2.367 179.366 176.870 0.215 0.000 1.073 446 L CA 1.375 56.393 54.840 0.298 0.000 0.748 446 L CB -0.946 41.255 42.059 0.238 0.000 0.891 446 L HN -0.046 nan 8.230 nan 0.000 0.431 447 I N -1.185 119.493 120.570 0.179 0.000 2.315 447 I HA -0.303 3.867 4.170 -0.001 0.000 0.248 447 I C 2.509 178.707 176.117 0.135 0.000 1.117 447 I CA 1.602 62.978 61.300 0.128 0.000 1.404 447 I CB -0.890 37.177 38.000 0.112 0.000 1.071 447 I HN 0.268 nan 8.210 nan 0.000 0.419 448 Y N 2.088 122.439 120.300 0.085 0.000 2.181 448 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 448 Y C 2.629 178.607 175.900 0.131 0.000 1.146 448 Y CA 1.730 59.884 58.100 0.091 0.000 1.164 448 Y CB -0.197 38.319 38.460 0.093 0.000 0.982 448 Y HN 0.119 nan 8.280 nan 0.000 0.515 449 A N -0.083 122.875 122.820 0.230 0.000 1.908 449 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 449 A C 2.423 180.020 177.584 0.023 0.000 1.181 449 A CA 1.943 54.056 52.037 0.127 0.000 0.627 449 A CB -1.607 17.445 19.000 0.087 0.000 0.818 449 A HN 0.586 nan 8.150 nan 0.000 0.445 450 G N -1.081 107.702 108.800 -0.027 0.000 2.417 450 G HA2 0.043 4.002 3.960 -0.001 0.000 0.212 450 G HA3 0.043 4.002 3.960 -0.001 0.000 0.212 450 G C 1.492 176.286 174.900 -0.176 0.000 1.187 450 G CA 1.016 46.047 45.100 -0.114 0.000 0.804 450 G HN 0.288 nan 8.290 nan 0.000 0.534 451 V N 1.679 121.490 119.914 -0.172 0.000 2.307 451 V HA -0.168 3.952 4.120 -0.001 0.000 0.245 451 V C 2.413 178.298 176.094 -0.349 0.000 1.045 451 V CA 1.695 63.843 62.300 -0.254 0.000 1.024 451 V CB -0.510 31.204 31.823 -0.181 0.000 0.651 451 V HN 0.386 nan 8.190 nan 0.000 0.449 452 N N 0.131 118.583 118.700 -0.415 0.000 2.459 452 N HA -0.010 4.729 4.740 -0.001 0.000 0.181 452 N C 1.287 176.407 175.510 -0.651 0.000 1.046 452 N CA 1.046 53.781 53.050 -0.526 0.000 0.904 452 N CB 0.435 38.504 38.487 -0.696 0.000 0.964 452 N HN 0.625 nan 8.380 nan 0.000 0.444 453 G N 0.948 109.374 108.800 -0.622 0.000 2.237 453 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.153 453 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.153 453 G C -0.279 174.269 174.900 -0.587 0.000 1.039 453 G CA -0.435 44.346 45.100 -0.532 0.000 0.719 453 G HN 0.517 nan 8.290 nan 0.000 0.491 454 H N -0.599 118.335 119.070 -0.226 0.000 2.542 454 H HA 0.507 5.063 4.556 -0.001 0.000 0.283 454 H C 1.964 177.114 175.328 -0.297 0.000 1.059 454 H CA -0.047 55.877 56.048 -0.207 0.000 1.162 454 H CB 0.468 30.134 29.762 -0.161 0.000 1.539 454 H HN 0.400 nan 8.280 nan 0.000 0.543 455 L N -0.286 120.781 121.223 -0.260 0.000 2.817 455 L HA 0.126 4.465 4.340 -0.001 0.000 0.248 455 L C 0.682 177.400 176.870 -0.253 0.000 1.133 455 L CA 0.156 54.779 54.840 -0.362 0.000 0.935 455 L CB 0.590 42.399 42.059 -0.417 0.000 1.266 455 L HN 0.158 nan 8.230 nan 0.000 0.535 456 D N 0.835 121.116 120.400 -0.198 0.000 2.149 456 D HA -0.102 4.537 4.640 -0.001 0.000 0.201 456 D C 2.047 178.276 176.300 -0.117 0.000 0.972 456 D CA 1.337 55.249 54.000 -0.147 0.000 0.835 456 D CB -0.078 40.641 40.800 -0.136 0.000 0.966 456 D HN 0.243 nan 8.370 nan 0.000 0.476 457 G N -0.200 108.530 108.800 -0.116 0.000 2.985 457 G HA2 0.162 4.122 3.960 -0.001 0.000 0.209 457 G HA3 0.162 4.122 3.960 -0.001 0.000 0.209 457 G C 0.450 175.294 174.900 -0.093 0.000 1.165 457 G CA -0.221 44.825 45.100 -0.090 0.000 0.776 457 G HN 0.180 nan 8.290 nan 0.000 0.541 458 I N 0.602 121.097 120.570 -0.124 0.000 2.396 458 I HA 0.187 4.357 4.170 -0.001 0.000 0.292 458 I C 0.376 176.435 176.117 -0.097 0.000 0.999 458 I CA -0.752 60.475 61.300 -0.121 0.000 1.310 458 I CB 1.754 39.644 38.000 -0.183 0.000 1.404 458 I HN -0.008 nan 8.210 nan 0.000 0.496 459 E N 4.349 124.509 120.200 -0.066 0.000 2.585 459 E HA -0.100 4.249 4.350 -0.001 0.000 0.252 459 E C 0.991 177.563 176.600 -0.048 0.000 0.981 459 E CA -0.202 56.170 56.400 -0.047 0.000 0.943 459 E CB 0.704 30.386 29.700 -0.030 0.000 0.923 459 E HN 0.549 nan 8.360 nan 0.000 0.486 460 L N 4.579 125.775 121.223 -0.044 0.000 2.103 460 L HA -0.303 4.037 4.340 -0.001 0.000 0.215 460 L C 2.062 178.918 176.870 -0.023 0.000 1.080 460 L CA 2.650 57.466 54.840 -0.039 0.000 0.764 460 L CB -0.479 41.565 42.059 -0.025 0.000 0.890 460 L HN 0.675 nan 8.230 nan 0.000 0.435 461 S N -1.795 113.897 115.700 -0.013 0.000 2.555 461 S HA -0.065 4.404 4.470 -0.001 0.000 0.230 461 S C 1.892 176.497 174.600 0.008 0.000 0.978 461 S CA 0.518 58.717 58.200 -0.001 0.000 0.934 461 S CB -0.426 62.774 63.200 0.000 0.000 0.766 461 S HN 0.565 nan 8.310 nan 0.000 0.533 462 R N -0.072 120.432 120.500 0.007 0.000 2.397 462 R HA 0.365 4.705 4.340 -0.001 0.000 0.241 462 R C 1.141 177.481 176.300 0.067 0.000 0.914 462 R CA -0.135 55.983 56.100 0.031 0.000 1.071 462 R CB 0.044 30.358 30.300 0.022 0.000 1.116 462 R HN 0.347 nan 8.270 nan 0.000 0.524 463 I N 0.462 121.057 120.570 0.041 0.000 2.335 463 I HA -0.181 3.989 4.170 -0.001 0.000 0.251 463 I C 2.274 178.489 176.117 0.163 0.000 1.129 463 I CA 1.550 62.897 61.300 0.078 0.000 1.402 463 I CB -1.458 36.542 38.000 -0.000 0.000 1.069 463 I HN 0.221 nan 8.210 nan 0.000 0.424 464 G N 2.017 110.880 108.800 0.105 0.000 2.545 464 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.217 464 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.217 464 G C 1.479 176.454 174.900 0.125 0.000 1.218 464 G CA 1.109 46.268 45.100 0.099 0.000 0.787 464 G HN 0.655 nan 8.290 nan 0.000 0.571 465 E N -0.515 119.757 120.200 0.121 0.000 2.204 465 E HA -0.126 4.223 4.350 -0.001 0.000 0.195 465 E C 2.155 178.860 176.600 0.175 0.000 0.990 465 E CA 0.842 57.315 56.400 0.122 0.000 0.821 465 E CB -0.460 29.297 29.700 0.095 0.000 0.750 465 E HN 0.455 nan 8.360 nan 0.000 0.477 466 F N 2.231 122.227 119.950 0.077 0.000 2.134 466 F HA -0.140 4.387 4.527 -0.001 0.000 0.299 466 F C 2.304 178.212 175.800 0.181 0.000 1.097 466 F CA 2.025 60.094 58.000 0.116 0.000 1.264 466 F CB -0.059 38.965 39.000 0.040 0.000 1.001 466 F HN 0.056 nan 8.300 nan 0.000 0.479 467 E N 0.174 120.514 120.200 0.233 0.000 2.023 467 E HA -0.258 4.092 4.350 -0.001 0.000 0.196 467 E C 2.290 178.927 176.600 0.061 0.000 1.003 467 E CA 2.069 58.558 56.400 0.149 0.000 0.809 467 E CB -0.335 29.465 29.700 0.165 0.000 0.755 467 E HN 0.502 nan 8.360 nan 0.000 0.449 468 S N -0.341 115.398 115.700 0.066 0.000 2.402 468 S HA -0.089 4.381 4.470 -0.001 0.000 0.229 468 S C 2.177 176.796 174.600 0.032 0.000 1.021 468 S CA 1.330 59.556 58.200 0.042 0.000 0.974 468 S CB -0.125 63.104 63.200 0.049 0.000 0.800 468 S HN 0.163 nan 8.310 nan 0.000 0.484 469 S N 0.977 116.713 115.700 0.059 0.000 2.377 469 S HA 0.193 4.662 4.470 -0.001 0.000 0.223 469 S C 1.325 175.972 174.600 0.078 0.000 1.030 469 S CA 0.684 58.956 58.200 0.120 0.000 0.970 469 S CB -0.554 62.781 63.200 0.224 0.000 0.830 469 S HN 0.558 nan 8.310 nan 0.000 0.473 470 F N 2.121 121.929 119.950 -0.236 0.000 2.365 470 F HA 0.151 4.677 4.527 -0.000 0.000 0.300 470 F C 1.564 177.224 175.800 -0.233 0.000 1.090 470 F CA 0.663 58.425 58.000 -0.398 0.000 1.408 470 F CB -0.245 38.269 39.000 -0.810 0.000 1.060 470 F HN 0.091 nan 8.300 nan 0.000 0.534 471 L N -1.343 119.773 121.223 -0.177 0.000 2.127 471 L HA -0.124 4.216 4.340 -0.001 0.000 0.203 471 L C 2.469 179.222 176.870 -0.195 0.000 1.080 471 L CA 1.033 55.757 54.840 -0.193 0.000 0.768 471 L CB -0.756 41.258 42.059 -0.076 0.000 0.924 471 L HN -0.077 nan 8.230 nan 0.000 0.444 472 S N -0.758 114.864 115.700 -0.131 0.000 2.382 472 S HA -0.242 4.227 4.470 -0.001 0.000 0.228 472 S C 1.845 176.345 174.600 -0.166 0.000 1.027 472 S CA 1.335 59.468 58.200 -0.111 0.000 0.991 472 S CB -0.433 62.741 63.200 -0.044 0.000 0.823 472 S HN 0.420 nan 8.310 nan 0.000 0.469 473 Y N 2.219 122.279 120.300 -0.400 0.000 2.145 473 Y HA -0.044 4.506 4.550 -0.000 0.000 0.286 473 Y C 1.857 177.481 175.900 -0.459 0.000 1.145 473 Y CA 1.278 59.052 58.100 -0.544 0.000 1.148 473 Y CB -0.412 37.363 38.460 -1.142 0.000 0.981 473 Y HN 0.125 nan 8.280 nan 0.000 0.507 474 L N -0.003 120.874 121.223 -0.576 0.000 2.141 474 L HA -0.181 4.159 4.340 -0.001 0.000 0.209 474 L C 2.310 178.965 176.870 -0.358 0.000 1.094 474 L CA 1.416 55.931 54.840 -0.542 0.000 0.763 474 L CB -0.446 41.287 42.059 -0.543 0.000 0.908 474 L HN 0.166 nan 8.230 nan 0.000 0.437 475 K N -0.571 119.655 120.400 -0.291 0.000 2.211 475 K HA -0.087 4.233 4.320 -0.001 0.000 0.203 475 K C 2.199 178.676 176.600 -0.206 0.000 1.050 475 K CA 1.222 57.385 56.287 -0.207 0.000 0.945 475 K CB 0.096 32.501 32.500 -0.158 0.000 0.732 475 K HN 0.192 nan 8.250 nan 0.000 0.451 476 S N 0.900 116.447 115.700 -0.255 0.000 2.315 476 S HA -0.044 4.426 4.470 -0.001 0.000 0.211 476 S C 1.492 175.928 174.600 -0.273 0.000 1.029 476 S CA 1.276 59.336 58.200 -0.233 0.000 0.956 476 S CB -0.327 62.742 63.200 -0.219 0.000 0.918 476 S HN 0.303 nan 8.310 nan 0.000 0.470 477 N N 1.415 119.877 118.700 -0.396 0.000 2.124 477 N HA -0.029 4.710 4.740 -0.001 0.000 0.188 477 N C 0.741 175.975 175.510 -0.460 0.000 1.045 477 N CA 1.068 53.849 53.050 -0.448 0.000 0.846 477 N CB -0.595 37.540 38.487 -0.587 0.000 1.020 477 N HN 0.423 nan 8.380 nan 0.000 0.432 478 H N 0.216 119.058 119.070 -0.380 0.000 2.727 478 H HA 0.188 4.743 4.556 -0.001 0.000 0.312 478 H C 0.337 175.530 175.328 -0.225 0.000 1.204 478 H CA -0.111 55.774 56.048 -0.271 0.000 1.122 478 H CB -0.541 29.055 29.762 -0.277 0.000 1.453 478 H HN 0.349 nan 8.280 nan 0.000 0.514 479 N N 0.659 119.269 118.700 -0.149 0.000 2.381 479 N HA -0.130 4.609 4.740 -0.001 0.000 0.182 479 N C 1.633 177.089 175.510 -0.090 0.000 1.025 479 N CA 0.406 53.383 53.050 -0.122 0.000 0.888 479 N CB 0.437 38.847 38.487 -0.128 0.000 0.965 479 N HN 0.308 nan 8.380 nan 0.000 0.438 480 E N 0.642 120.788 120.200 -0.090 0.000 2.049 480 E HA -0.209 4.141 4.350 -0.001 0.000 0.198 480 E C 1.846 178.421 176.600 -0.043 0.000 1.007 480 E CA 0.793 57.154 56.400 -0.065 0.000 0.809 480 E CB -0.437 29.222 29.700 -0.068 0.000 0.749 480 E HN 0.393 nan 8.360 nan 0.000 0.450 481 L N 0.496 121.703 121.223 -0.026 0.000 2.046 481 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 481 L C 2.603 179.449 176.870 -0.041 0.000 1.077 481 L CA 1.293 56.118 54.840 -0.026 0.000 0.747 481 L CB -1.179 40.868 42.059 -0.019 0.000 0.896 481 L HN 0.151 nan 8.230 nan 0.000 0.432 482 L N -1.215 119.976 121.223 -0.054 0.000 2.109 482 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 482 L C 2.302 179.147 176.870 -0.042 0.000 1.086 482 L CA 1.226 56.033 54.840 -0.055 0.000 0.760 482 L CB -0.858 41.155 42.059 -0.076 0.000 0.910 482 L HN 0.214 nan 8.230 nan 0.000 0.437 483 T N -1.523 113.005 114.554 -0.044 0.000 3.043 483 T HA -0.050 4.300 4.350 -0.001 0.000 0.263 483 T C 1.754 176.440 174.700 -0.024 0.000 1.094 483 T CA 0.452 62.531 62.100 -0.035 0.000 1.127 483 T CB 0.055 68.898 68.868 -0.041 0.000 0.905 483 T HN 0.206 nan 8.240 nan 0.000 0.490 484 E N 1.297 121.481 120.200 -0.025 0.000 2.028 484 E HA -0.018 4.332 4.350 -0.001 0.000 0.191 484 E C 2.228 178.821 176.600 -0.012 0.000 0.988 484 E CA 0.880 57.269 56.400 -0.019 0.000 0.799 484 E CB -0.294 29.393 29.700 -0.022 0.000 0.755 484 E HN 0.472 nan 8.360 nan 0.000 0.447 485 I N 0.757 121.318 120.570 -0.014 0.000 2.208 485 I HA -0.304 3.866 4.170 -0.001 0.000 0.245 485 I C 2.837 178.959 176.117 0.008 0.000 1.097 485 I CA 1.162 62.458 61.300 -0.006 0.000 1.363 485 I CB -0.243 37.752 38.000 -0.010 0.000 1.051 485 I HN 0.047 nan 8.210 nan 0.000 0.413 486 R N 1.005 121.510 120.500 0.007 0.000 2.073 486 R HA -0.197 4.142 4.340 -0.001 0.000 0.234 486 R C 2.141 178.461 176.300 0.033 0.000 1.134 486 R CA 1.822 57.937 56.100 0.025 0.000 0.952 486 R CB -0.089 30.217 30.300 0.009 0.000 0.850 486 R HN 0.392 nan 8.270 nan 0.000 0.433 487 E N -0.026 120.185 120.200 0.017 0.000 2.033 487 E HA -0.116 4.233 4.350 -0.001 0.000 0.189 487 E C 1.831 178.442 176.600 0.018 0.000 0.979 487 E CA 1.064 57.475 56.400 0.019 0.000 0.802 487 E CB 0.132 29.837 29.700 0.008 0.000 0.763 487 E HN 0.282 nan 8.360 nan 0.000 0.449 488 K N -0.370 120.036 120.400 0.010 0.000 2.459 488 K HA 0.045 4.364 4.320 -0.001 0.000 0.193 488 K C 1.250 177.856 176.600 0.010 0.000 1.030 488 K CA 0.500 56.791 56.287 0.008 0.000 1.026 488 K CB 0.517 33.019 32.500 0.003 0.000 0.809 488 K HN 0.273 nan 8.250 nan 0.000 0.504 489 G N 2.065 110.874 108.800 0.015 0.000 2.249 489 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.269 489 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.269 489 G C 0.252 175.159 174.900 0.012 0.000 0.979 489 G CA 1.345 46.455 45.100 0.017 0.000 0.644 489 G HN 0.482 nan 8.290 nan 0.000 0.546 490 E N -1.326 118.879 120.200 0.008 0.000 2.568 490 E HA 0.854 5.203 4.350 -0.001 0.000 0.242 490 E C -0.403 176.198 176.600 0.002 0.000 0.945 490 E CA -1.012 55.392 56.400 0.007 0.000 0.918 490 E CB 0.933 30.636 29.700 0.006 0.000 1.386 490 E HN 0.163 nan 8.360 nan 0.000 0.426 491 L N 1.215 122.438 121.223 -0.000 0.000 2.464 491 L HA 0.322 4.661 4.340 -0.001 0.000 0.266 491 L C -0.617 176.249 176.870 -0.008 0.000 0.965 491 L CA -0.632 54.201 54.840 -0.011 0.000 0.833 491 L CB 2.050 44.099 42.059 -0.016 0.000 1.296 491 L HN 0.595 nan 8.230 nan 0.000 0.405 492 S N 1.147 116.839 115.700 -0.012 0.000 2.693 492 S HA 0.342 4.811 4.470 -0.001 0.000 0.276 492 S C 0.745 175.340 174.600 -0.009 0.000 1.192 492 S CA -0.648 57.548 58.200 -0.007 0.000 0.994 492 S CB 1.837 65.033 63.200 -0.006 0.000 1.012 492 S HN 0.585 nan 8.310 nan 0.000 0.550 493 K N 0.388 120.787 120.400 -0.001 0.000 2.280 493 K HA -0.027 4.292 4.320 -0.001 0.000 0.202 493 K C 1.697 178.296 176.600 -0.001 0.000 1.047 493 K CA 1.380 57.669 56.287 0.004 0.000 0.942 493 K CB -0.263 32.243 32.500 0.010 0.000 0.739 493 K HN 0.693 nan 8.250 nan 0.000 0.457 494 E N -0.300 119.897 120.200 -0.005 0.000 2.086 494 E HA -0.026 4.323 4.350 -0.001 0.000 0.190 494 E C 1.710 178.300 176.600 -0.017 0.000 0.975 494 E CA 0.669 57.066 56.400 -0.006 0.000 0.813 494 E CB -0.058 29.640 29.700 -0.004 0.000 0.768 494 E HN 0.129 nan 8.360 nan 0.000 0.457 495 L N 0.233 121.439 121.223 -0.027 0.000 2.046 495 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 495 L C 2.194 179.011 176.870 -0.088 0.000 1.077 495 L CA 0.983 55.796 54.840 -0.046 0.000 0.747 495 L CB -0.228 41.805 42.059 -0.043 0.000 0.896 495 L HN 0.169 nan 8.230 nan 0.000 0.432 496 L N -1.012 120.152 121.223 -0.099 0.000 2.141 496 L HA -0.187 4.152 4.340 -0.001 0.000 0.209 496 L C 2.728 179.515 176.870 -0.139 0.000 1.094 496 L CA 0.935 55.668 54.840 -0.179 0.000 0.763 496 L CB -0.564 41.434 42.059 -0.103 0.000 0.908 496 L HN 0.259 nan 8.230 nan 0.000 0.437 497 A N -1.083 121.707 122.820 -0.049 0.000 1.933 497 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 497 A C 2.482 180.062 177.584 -0.007 0.000 1.175 497 A CA 2.021 54.055 52.037 -0.005 0.000 0.628 497 A CB -0.455 18.553 19.000 0.013 0.000 0.814 497 A HN 0.353 nan 8.150 nan 0.000 0.444 498 S N -0.883 114.803 115.700 -0.023 0.000 2.406 498 S HA -0.036 4.434 4.470 -0.001 0.000 0.228 498 S C 1.739 176.306 174.600 -0.056 0.000 1.020 498 S CA 1.079 59.282 58.200 0.006 0.000 0.965 498 S CB -0.236 62.984 63.200 0.034 0.000 0.798 498 S HN 0.434 nan 8.310 nan 0.000 0.488 499 L N 2.095 123.229 121.223 -0.148 0.000 2.217 499 L HA 0.094 4.433 4.340 -0.001 0.000 0.211 499 L C 2.107 178.885 176.870 -0.154 0.000 1.107 499 L CA 1.549 56.246 54.840 -0.237 0.000 0.783 499 L CB -0.391 41.384 42.059 -0.473 0.000 0.919 499 L HN 0.140 nan 8.230 nan 0.000 0.442 500 K N -1.521 118.833 120.400 -0.076 0.000 2.057 500 K HA -0.166 4.154 4.320 -0.001 0.000 0.206 500 K C 2.292 178.945 176.600 0.088 0.000 1.050 500 K CA 1.499 57.881 56.287 0.158 0.000 0.935 500 K CB -0.170 32.441 32.500 0.186 0.000 0.715 500 K HN 0.328 nan 8.250 nan 0.000 0.439 501 S N 0.112 115.847 115.700 0.058 0.000 2.335 501 S HA -0.118 4.351 4.470 -0.001 0.000 0.216 501 S C 2.047 176.694 174.600 0.079 0.000 1.032 501 S CA 1.365 59.613 58.200 0.080 0.000 1.000 501 S CB -0.505 62.755 63.200 0.101 0.000 0.928 501 S HN 0.484 nan 8.310 nan 0.000 0.434 502 A N 0.421 123.233 122.820 -0.013 0.000 1.997 502 A HA -0.153 4.167 4.320 -0.001 0.000 0.221 502 A C 2.290 180.015 177.584 0.235 0.000 1.172 502 A CA 2.582 54.569 52.037 -0.083 0.000 0.645 502 A CB -1.542 17.004 19.000 -0.756 0.000 0.813 502 A HN 0.663 nan 8.150 nan 0.000 0.454 503 T N -0.569 114.095 114.554 0.183 0.000 2.851 503 T HA -0.054 4.295 4.350 -0.001 0.000 0.262 503 T C 1.726 176.440 174.700 0.023 0.000 1.043 503 T CA 1.410 63.570 62.100 0.100 0.000 1.140 503 T CB -0.182 68.542 68.868 -0.240 0.000 0.872 503 T HN 0.681 nan 8.240 nan 0.000 0.446 504 E N 1.250 121.460 120.200 0.015 0.000 2.150 504 E HA -0.051 4.298 4.350 -0.001 0.000 0.193 504 E C 2.257 178.923 176.600 0.110 0.000 0.985 504 E CA 0.878 57.324 56.400 0.077 0.000 0.814 504 E CB -0.115 29.643 29.700 0.095 0.000 0.752 504 E HN 0.315 nan 8.360 nan 0.000 0.466 505 S N -0.553 115.241 115.700 0.157 0.000 2.547 505 S HA -0.091 4.379 4.470 -0.001 0.000 0.235 505 S C 0.906 175.634 174.600 0.215 0.000 0.980 505 S CA 0.534 58.855 58.200 0.202 0.000 0.941 505 S CB -0.016 63.357 63.200 0.288 0.000 0.763 505 S HN 0.260 nan 8.310 nan 0.000 0.532 506 F N 0.122 120.036 119.950 -0.059 0.000 2.729 506 F HA 0.461 4.988 4.527 -0.000 0.000 0.315 506 F C 1.261 177.027 175.800 -0.056 0.000 1.102 506 F CA -0.429 57.452 58.000 -0.198 0.000 1.204 506 F CB 0.159 38.913 39.000 -0.411 0.000 1.052 506 F HN -0.018 nan 8.300 nan 0.000 0.551 507 V N 0.547 120.447 119.914 -0.024 0.000 2.379 507 V HA -0.049 4.071 4.120 -0.001 0.000 0.245 507 V C 1.799 177.819 176.094 -0.123 0.000 1.044 507 V CA 1.603 63.867 62.300 -0.060 0.000 1.036 507 V CB -0.685 31.141 31.823 0.004 0.000 0.664 507 V HN 0.279 nan 8.190 nan 0.000 0.453 508 A N -0.235 122.523 122.820 -0.103 0.000 3.118 508 A HA 0.479 4.798 4.320 -0.001 0.000 0.256 508 A C 0.581 178.066 177.584 -0.166 0.000 1.667 508 A CA 0.715 52.690 52.037 -0.103 0.000 1.338 508 A CB -0.720 18.252 19.000 -0.047 0.000 1.127 508 A HN 0.498 nan 8.150 nan 0.000 0.634 509 T N 0.000 114.374 114.554 -0.299 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 509 T CA 0.000 61.834 62.100 -0.443 0.000 1.349 509 T CB 0.000 68.747 68.868 -0.202 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658