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 3oee_1_C DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAS 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 0.000 175.484 175.510 -0.044 0.000 1.280 26 N CA 0.000 53.036 53.050 -0.024 0.000 0.885 26 N CB 0.000 38.475 38.487 -0.019 0.000 1.341 27 L N 1.026 122.207 121.223 -0.069 0.000 2.713 27 L HA 0.222 4.563 4.340 0.002 0.000 0.245 27 L C 1.431 178.226 176.870 -0.125 0.000 1.169 27 L CA 0.082 54.851 54.840 -0.119 0.000 0.962 27 L CB -0.305 41.626 42.059 -0.214 0.000 1.161 27 L HN 0.310 nan 8.230 nan 0.000 0.427 28 N N 0.091 118.739 118.700 -0.086 0.000 2.376 28 N HA -0.057 4.684 4.740 0.002 0.000 0.177 28 N C 1.371 176.840 175.510 -0.068 0.000 1.024 28 N CA 0.835 53.839 53.050 -0.076 0.000 0.893 28 N CB 0.303 38.757 38.487 -0.055 0.000 0.980 28 N HN 0.380 nan 8.380 nan 0.000 0.439 29 E N -0.248 119.915 120.200 -0.062 0.000 2.539 29 E HA 0.109 4.460 4.350 0.002 0.000 0.215 29 E C 0.248 176.808 176.600 -0.065 0.000 0.965 29 E CA 0.276 56.642 56.400 -0.056 0.000 1.019 29 E CB 0.874 30.549 29.700 -0.041 0.000 1.059 29 E HN 0.294 nan 8.360 nan 0.000 0.496 30 T N -1.662 112.848 114.554 -0.072 0.000 2.901 30 T HA 0.793 5.144 4.350 0.002 0.000 0.293 30 T C 0.232 174.879 174.700 -0.089 0.000 1.084 30 T CA -0.769 61.286 62.100 -0.075 0.000 1.008 30 T CB 2.543 71.381 68.868 -0.050 0.000 1.170 30 T HN 0.019 nan 8.240 nan 0.000 0.509 31 G N 0.033 108.784 108.800 -0.082 0.000 2.695 31 G HA2 0.664 4.625 3.960 0.002 0.000 0.290 31 G HA3 0.664 4.625 3.960 0.002 0.000 0.290 31 G C -1.681 173.221 174.900 0.004 0.000 1.410 31 G CA -1.148 43.917 45.100 -0.058 0.000 0.844 31 G HN 0.757 nan 8.290 nan 0.000 0.478 32 R N -0.075 120.481 120.500 0.093 0.000 2.494 32 R HA 0.485 4.827 4.340 0.002 0.000 0.305 32 R C -0.446 175.942 176.300 0.146 0.000 0.959 32 R CA -0.707 55.467 56.100 0.123 0.000 0.864 32 R CB 2.388 32.779 30.300 0.151 0.000 1.159 32 R HN 0.315 nan 8.270 nan 0.000 0.446 33 V N 5.618 125.616 119.914 0.140 0.000 2.475 33 V HA -0.088 4.033 4.120 0.002 0.000 0.292 33 V C 1.533 177.693 176.094 0.110 0.000 1.003 33 V CA 0.730 63.126 62.300 0.161 0.000 1.120 33 V CB 0.295 32.238 31.823 0.200 0.000 0.937 33 V HN 0.799 nan 8.190 nan 0.000 0.476 34 L N 4.273 125.557 121.223 0.101 0.000 2.249 34 L HA 0.361 4.702 4.340 0.002 0.000 0.207 34 L C 0.923 177.813 176.870 0.033 0.000 1.090 34 L CA 1.109 55.981 54.840 0.053 0.000 0.802 34 L CB 0.159 42.249 42.059 0.052 0.000 0.947 34 L HN 0.814 nan 8.230 nan 0.000 0.453 35 A N -1.129 121.718 122.820 0.044 0.000 2.599 35 A HA 0.603 4.925 4.320 0.002 0.000 0.294 35 A C -1.760 175.838 177.584 0.024 0.000 1.055 35 A CA -0.372 51.679 52.037 0.024 0.000 0.683 35 A CB 1.777 20.784 19.000 0.012 0.000 1.278 35 A HN -0.218 nan 8.150 nan 0.000 0.412 36 V N 0.204 120.119 119.914 0.002 0.000 2.969 36 V HA 0.926 5.047 4.120 0.002 0.000 0.304 36 V C -0.241 175.832 176.094 -0.035 0.000 1.192 36 V CA 0.881 63.169 62.300 -0.020 0.000 0.962 36 V CB 2.014 33.814 31.823 -0.038 0.000 1.045 36 V HN 2.637 nan 8.190 nan 0.000 0.428 37 G N 3.129 111.901 108.800 -0.047 0.000 2.377 37 G HA2 0.503 4.464 3.960 0.002 0.000 0.297 37 G HA3 0.503 4.464 3.960 0.002 0.000 0.297 37 G C -0.871 173.999 174.900 -0.050 0.000 1.547 37 G CA 0.194 45.266 45.100 -0.046 0.000 0.833 37 G HN 1.070 nan 8.290 nan 0.000 0.583 38 D N -0.857 119.514 120.400 -0.048 0.000 2.870 38 D HA -0.157 4.484 4.640 0.002 0.000 0.228 38 D C 1.564 177.830 176.300 -0.057 0.000 1.147 38 D CA 2.667 56.640 54.000 -0.045 0.000 0.757 38 D CB -1.293 39.483 40.800 -0.040 0.000 1.091 38 D HN 2.348 nan 8.370 nan 0.000 0.429 39 G N -0.757 107.999 108.800 -0.073 0.000 2.179 39 G HA2 -0.291 3.670 3.960 0.002 0.000 0.257 39 G HA3 -0.291 3.670 3.960 0.002 0.000 0.257 39 G C 0.122 174.959 174.900 -0.106 0.000 1.010 39 G CA 0.492 45.535 45.100 -0.094 0.000 0.736 39 G HN 0.481 nan 8.290 nan 0.000 0.513 40 I N 0.209 120.726 120.570 -0.088 0.000 2.498 40 I HA 0.769 4.940 4.170 0.002 0.000 0.290 40 I C 0.226 176.316 176.117 -0.044 0.000 1.032 40 I CA -1.244 60.018 61.300 -0.064 0.000 1.073 40 I CB 1.611 39.583 38.000 -0.047 0.000 1.251 40 I HN 0.440 nan 8.210 nan 0.000 0.426 41 A N 6.636 129.460 122.820 0.007 0.000 2.356 41 A HA 0.772 5.093 4.320 0.002 0.000 0.310 41 A C -0.438 177.212 177.584 0.109 0.000 1.075 41 A CA -0.737 51.344 52.037 0.074 0.000 0.746 41 A CB 1.318 20.416 19.000 0.164 0.000 1.221 41 A HN 0.681 nan 8.150 nan 0.000 0.443 42 R N 1.364 121.919 120.500 0.091 0.000 2.229 42 R HA 0.548 4.889 4.340 0.002 0.000 0.332 42 R C -1.080 175.289 176.300 0.115 0.000 0.989 42 R CA -0.247 55.904 56.100 0.085 0.000 0.842 42 R CB 1.522 31.857 30.300 0.059 0.000 1.119 42 R HN 0.493 nan 8.270 nan 0.000 0.456 43 V N 4.536 124.518 119.914 0.114 0.000 2.581 43 V HA 0.354 4.475 4.120 0.002 0.000 0.303 43 V C -0.355 175.837 176.094 0.162 0.000 1.041 43 V CA -0.858 61.516 62.300 0.123 0.000 0.907 43 V CB 1.494 33.352 31.823 0.058 0.000 0.994 43 V HN 0.507 nan 8.190 nan 0.000 0.442 44 F N 3.182 123.137 119.950 0.007 0.000 2.371 44 F HA 0.710 5.239 4.527 0.002 0.000 0.329 44 F C 1.068 176.862 175.800 -0.010 0.000 1.107 44 F CA 1.055 59.055 58.000 0.000 0.000 1.137 44 F CB 1.058 40.060 39.000 0.003 0.000 1.214 44 F HN 0.907 nan 8.300 nan 0.000 0.536 45 G N 3.611 111.895 108.800 -0.860 0.000 2.574 45 G HA2 -0.282 3.679 3.960 0.002 0.000 0.286 45 G HA3 -0.282 3.679 3.960 0.002 0.000 0.286 45 G C 0.234 174.971 174.900 -0.273 0.000 1.212 45 G CA -0.107 44.635 45.100 -0.597 0.000 0.979 45 G HN 1.446 nan 8.290 nan 0.000 0.557 46 L N -0.790 120.319 121.223 -0.190 0.000 3.597 46 L HA -0.215 4.126 4.340 0.002 0.000 0.440 46 L C 1.515 178.315 176.870 -0.116 0.000 1.277 46 L CA 0.540 55.304 54.840 -0.128 0.000 0.852 46 L CB -1.283 40.712 42.059 -0.107 0.000 1.708 46 L HN 0.636 nan 8.230 nan 0.000 0.885 47 N N 0.124 118.745 118.700 -0.131 0.000 2.289 47 N HA -0.100 4.641 4.740 0.002 0.000 0.184 47 N C 1.311 176.778 175.510 -0.072 0.000 1.016 47 N CA 1.413 54.397 53.050 -0.111 0.000 0.872 47 N CB -0.044 38.374 38.487 -0.115 0.000 0.973 47 N HN 0.481 nan 8.380 nan 0.000 0.433 48 N N -0.035 118.627 118.700 -0.062 0.000 2.205 48 N HA 0.135 4.876 4.740 0.002 0.000 0.201 48 N C 0.089 175.577 175.510 -0.036 0.000 1.128 48 N CA -0.184 52.839 53.050 -0.044 0.000 0.867 48 N CB 0.744 39.207 38.487 -0.039 0.000 0.996 48 N HN 0.266 nan 8.380 nan 0.000 0.503 49 I N 1.375 121.920 120.570 -0.042 0.000 2.813 49 I HA -0.109 4.062 4.170 0.002 0.000 0.287 49 I C 0.138 176.243 176.117 -0.019 0.000 1.196 49 I CA 0.095 61.376 61.300 -0.032 0.000 1.421 49 I CB 0.621 38.597 38.000 -0.040 0.000 1.365 49 I HN 0.024 nan 8.210 nan 0.000 0.591 50 Q N 5.463 125.257 119.800 -0.010 0.000 2.235 50 Q HA 0.504 4.845 4.340 0.002 0.000 0.250 50 Q C -0.186 175.818 176.000 0.007 0.000 0.909 50 Q CA -0.901 54.901 55.803 -0.001 0.000 0.910 50 Q CB 1.528 30.268 28.738 0.003 0.000 1.223 50 Q HN 0.784 nan 8.270 nan 0.000 0.432 51 A N 2.639 125.465 122.820 0.010 0.000 2.548 51 A HA -0.022 4.299 4.320 0.002 0.000 0.247 51 A C 0.192 177.792 177.584 0.027 0.000 1.067 51 A CA 0.468 52.516 52.037 0.018 0.000 0.757 51 A CB -0.253 18.758 19.000 0.019 0.000 0.996 51 A HN 0.979 nan 8.150 nan 0.000 0.504 52 E N -0.391 119.832 120.200 0.037 0.000 3.763 52 E HA -0.187 4.164 4.350 0.002 0.000 0.319 52 E C 0.150 176.792 176.600 0.070 0.000 0.804 52 E CA 1.080 57.515 56.400 0.058 0.000 1.196 52 E CB -1.558 28.173 29.700 0.051 0.000 1.607 52 E HN 0.948 nan 8.360 nan 0.000 0.431 53 E N 1.021 121.253 120.200 0.053 0.000 2.366 53 E HA 0.285 4.637 4.350 0.002 0.000 0.266 53 E C -0.371 176.279 176.600 0.083 0.000 1.051 53 E CA -0.517 55.915 56.400 0.053 0.000 0.884 53 E CB 0.681 30.395 29.700 0.023 0.000 1.006 53 E HN 0.058 nan 8.360 nan 0.000 0.417 54 L N 5.226 126.505 121.223 0.093 0.000 2.380 54 L HA 0.179 4.520 4.340 0.002 0.000 0.273 54 L C -0.635 176.282 176.870 0.078 0.000 1.138 54 L CA 0.067 54.987 54.840 0.132 0.000 0.832 54 L CB 1.094 43.218 42.059 0.110 0.000 1.124 54 L HN 0.384 nan 8.230 nan 0.000 0.454 55 V N 1.381 121.349 119.914 0.089 0.000 2.960 55 V HA 0.694 4.815 4.120 0.002 0.000 0.315 55 V C -0.659 175.452 176.094 0.028 0.000 1.087 55 V CA -0.826 61.467 62.300 -0.011 0.000 0.982 55 V CB 1.997 33.733 31.823 -0.146 0.000 1.039 55 V HN 0.783 nan 8.190 nan 0.000 0.437 56 E N 2.118 122.290 120.200 -0.047 0.000 2.165 56 E HA 0.522 4.873 4.350 0.002 0.000 0.266 56 E C -1.631 174.929 176.600 -0.066 0.000 0.889 56 E CA -0.407 56.012 56.400 0.032 0.000 0.756 56 E CB 2.078 31.802 29.700 0.039 0.000 1.131 56 E HN 0.644 nan 8.360 nan 0.000 0.411 57 F N 1.539 121.515 119.950 0.043 0.000 2.412 57 F HA -0.005 4.523 4.527 0.002 0.000 0.348 57 F C 2.043 177.861 175.800 0.030 0.000 1.102 57 F CA -0.077 57.943 58.000 0.033 0.000 1.196 57 F CB 1.194 40.213 39.000 0.031 0.000 1.144 57 F HN 0.505 nan 8.300 nan 0.000 0.541 58 S N 0.275 116.078 115.700 0.172 0.000 2.402 58 S HA -0.249 4.223 4.470 0.002 0.000 0.233 58 S C 1.906 176.572 174.600 0.110 0.000 1.030 58 S CA 1.459 59.724 58.200 0.108 0.000 1.003 58 S CB -0.941 62.307 63.200 0.080 0.000 0.813 58 S HN 0.705 nan 8.310 nan 0.000 0.477 59 S N 0.130 115.913 115.700 0.138 0.000 2.603 59 S HA 0.440 4.911 4.470 0.002 0.000 0.229 59 S C 1.586 176.237 174.600 0.085 0.000 0.972 59 S CA 0.698 58.953 58.200 0.092 0.000 0.935 59 S CB -0.508 62.734 63.200 0.069 0.000 0.769 59 S HN 1.424 nan 8.310 nan 0.000 0.536 60 G N 0.094 108.963 108.800 0.114 0.000 2.561 60 G HA2 -0.225 3.736 3.960 0.002 0.000 0.203 60 G HA3 -0.225 3.736 3.960 0.002 0.000 0.203 60 G C 0.114 175.091 174.900 0.129 0.000 1.101 60 G CA -0.234 44.925 45.100 0.099 0.000 0.711 60 G HN 0.712 nan 8.290 nan 0.000 0.511 61 V N 2.666 122.658 119.914 0.131 0.000 2.901 61 V HA 0.415 4.537 4.120 0.002 0.000 0.307 61 V C 0.620 176.881 176.094 0.278 0.000 1.084 61 V CA 0.665 63.049 62.300 0.141 0.000 1.184 61 V CB 1.155 32.992 31.823 0.022 0.000 0.941 61 V HN 0.411 nan 8.190 nan 0.000 0.493 62 K N 3.353 123.923 120.400 0.284 0.000 2.166 62 K HA 0.763 5.084 4.320 0.002 0.000 0.245 62 K C -0.048 176.840 176.600 0.479 0.000 0.967 62 K CA -0.180 56.330 56.287 0.372 0.000 0.863 62 K CB 1.945 34.620 32.500 0.292 0.000 1.107 62 K HN 0.894 nan 8.250 nan 0.000 0.436 63 G N 0.633 109.715 108.800 0.471 0.000 2.687 63 G HA2 0.590 4.551 3.960 0.002 0.000 0.291 63 G HA3 0.590 4.551 3.960 0.002 0.000 0.291 63 G C -1.806 173.226 174.900 0.219 0.000 1.420 63 G CA -0.666 44.594 45.100 0.267 0.000 0.796 63 G HN 0.473 nan 8.290 nan 0.000 0.485 64 M N 1.096 120.687 119.600 -0.015 0.000 2.204 64 M HA 0.632 5.114 4.480 0.002 0.000 0.293 64 M C -0.290 176.017 176.300 0.012 0.000 0.994 64 M CA -0.815 54.523 55.300 0.063 0.000 0.925 64 M CB 1.813 34.455 32.600 0.071 0.000 1.577 64 M HN 0.773 nan 8.290 nan 0.000 0.439 65 A N 5.655 128.497 122.820 0.036 0.000 2.438 65 A HA 0.369 4.690 4.320 0.002 0.000 0.280 65 A C 0.196 177.790 177.584 0.017 0.000 1.160 65 A CA -0.166 51.882 52.037 0.019 0.000 0.821 65 A CB -0.206 18.802 19.000 0.012 0.000 1.101 65 A HN 1.064 nan 8.150 nan 0.000 0.515 66 L N 1.517 122.742 121.223 0.004 0.000 2.642 66 L HA 0.183 4.524 4.340 0.002 0.000 0.233 66 L C 0.053 176.930 176.870 0.012 0.000 1.077 66 L CA 0.165 55.008 54.840 0.006 0.000 0.879 66 L CB 0.184 42.232 42.059 -0.018 0.000 1.151 66 L HN 0.613 nan 8.230 nan 0.000 0.495 67 N N 0.849 119.554 118.700 0.009 0.000 2.479 67 N HA 0.438 5.180 4.740 0.002 0.000 0.261 67 N C -1.131 174.387 175.510 0.012 0.000 0.979 67 N CA -0.114 52.943 53.050 0.011 0.000 0.930 67 N CB 1.383 39.876 38.487 0.009 0.000 1.172 67 N HN -0.014 nan 8.380 nan 0.000 0.499 68 L N 2.350 123.580 121.223 0.012 0.000 2.301 68 L HA 0.492 4.833 4.340 0.002 0.000 0.278 68 L C 0.034 176.910 176.870 0.010 0.000 1.022 68 L CA -0.536 54.309 54.840 0.008 0.000 0.854 68 L CB 0.772 42.832 42.059 0.002 0.000 1.226 68 L HN 0.365 nan 8.230 nan 0.000 0.429 69 E N 2.660 122.868 120.200 0.015 0.000 2.264 69 E HA 0.405 4.756 4.350 0.002 0.000 0.260 69 E C -1.785 174.828 176.600 0.021 0.000 0.961 69 E CA -1.805 54.606 56.400 0.018 0.000 0.834 69 E CB 1.297 31.011 29.700 0.023 0.000 1.230 69 E HN 0.196 nan 8.360 nan 0.000 0.412 70 P HA -0.223 nan 4.420 nan 0.000 0.212 70 P C 1.025 178.352 177.300 0.046 0.000 1.174 70 P CA 1.657 64.774 63.100 0.028 0.000 0.934 70 P CB -0.038 31.680 31.700 0.030 0.000 0.791 71 G N -2.021 106.825 108.800 0.077 0.000 3.042 71 G HA2 0.154 4.115 3.960 0.002 0.000 0.212 71 G HA3 0.154 4.115 3.960 0.002 0.000 0.212 71 G C 0.173 175.190 174.900 0.194 0.000 1.166 71 G CA 0.068 45.258 45.100 0.150 0.000 0.767 71 G HN 0.513 nan 8.290 nan 0.000 0.546 72 Q N -2.073 117.792 119.800 0.108 0.000 2.738 72 Q HA 0.634 4.975 4.340 0.002 0.000 0.301 72 Q C -1.999 174.031 176.000 0.051 0.000 0.901 72 Q CA -1.009 54.858 55.803 0.108 0.000 0.756 72 Q CB 1.873 30.687 28.738 0.127 0.000 1.463 72 Q HN -0.085 nan 8.270 nan 0.000 0.432 73 V N 0.403 120.346 119.914 0.049 0.000 2.577 73 V HA 0.784 4.905 4.120 0.002 0.000 0.303 73 V C -0.268 175.851 176.094 0.041 0.000 1.042 73 V CA -0.232 62.084 62.300 0.027 0.000 0.872 73 V CB 1.852 33.676 31.823 0.003 0.000 0.998 73 V HN 0.852 nan 8.190 nan 0.000 0.423 74 G N 4.747 113.565 108.800 0.031 0.000 2.322 74 G HA2 0.728 4.690 3.960 0.002 0.000 0.309 74 G HA3 0.728 4.690 3.960 0.002 0.000 0.309 74 G C -0.951 173.966 174.900 0.027 0.000 1.121 74 G CA -0.298 44.820 45.100 0.030 0.000 0.886 74 G HN 0.578 nan 8.290 nan 0.000 0.447 75 I N 2.046 122.647 120.570 0.051 0.000 2.498 75 I HA 0.316 4.487 4.170 0.002 0.000 0.290 75 I C 0.081 176.203 176.117 0.009 0.000 1.032 75 I CA -1.171 60.164 61.300 0.059 0.000 1.073 75 I CB 2.552 40.654 38.000 0.170 0.000 1.251 75 I HN 0.406 nan 8.210 nan 0.000 0.426 76 V N 5.494 125.358 119.914 -0.084 0.000 2.439 76 V HA 0.548 4.669 4.120 0.002 0.000 0.282 76 V C -0.241 175.687 176.094 -0.276 0.000 1.039 76 V CA -0.649 61.543 62.300 -0.181 0.000 0.913 76 V CB 1.260 32.938 31.823 -0.240 0.000 0.983 76 V HN 0.485 nan 8.190 nan 0.000 0.460 77 L N 4.199 125.282 121.223 -0.234 0.000 2.350 77 L HA 0.432 4.773 4.340 0.002 0.000 0.275 77 L C 0.359 177.092 176.870 -0.229 0.000 1.099 77 L CA -0.306 54.411 54.840 -0.205 0.000 0.808 77 L CB 1.198 43.142 42.059 -0.192 0.000 1.149 77 L HN 0.650 nan 8.230 nan 0.000 0.442 78 F N 1.031 121.014 119.950 0.054 0.000 2.731 78 F HA 0.245 4.773 4.527 0.002 0.000 0.304 78 F C 1.214 177.035 175.800 0.035 0.000 1.133 78 F CA -0.117 57.918 58.000 0.058 0.000 1.380 78 F CB 0.243 39.289 39.000 0.077 0.000 1.079 78 F HN 0.553 nan 8.300 nan 0.000 0.550 79 G N -1.406 107.470 108.800 0.127 0.000 2.871 79 G HA2 0.325 4.286 3.960 0.002 0.000 0.282 79 G HA3 0.325 4.286 3.960 0.002 0.000 0.282 79 G C -0.983 173.920 174.900 0.006 0.000 1.212 79 G CA -0.541 44.602 45.100 0.073 0.000 0.812 79 G HN -0.112 nan 8.290 nan 0.000 0.547 80 S N -0.086 115.612 115.700 -0.004 0.000 2.579 80 S HA 0.299 4.770 4.470 0.002 0.000 0.275 80 S C 0.748 175.304 174.600 -0.073 0.000 1.345 80 S CA 0.522 58.704 58.200 -0.029 0.000 1.031 80 S CB 0.811 64.001 63.200 -0.016 0.000 0.892 80 S HN 0.606 nan 8.310 nan 0.000 0.529 81 D N 2.906 123.253 120.400 -0.088 0.000 2.398 81 D HA -0.017 4.624 4.640 0.002 0.000 0.210 81 D C 1.532 177.776 176.300 -0.094 0.000 1.094 81 D CA -0.155 53.765 54.000 -0.134 0.000 0.839 81 D CB -0.265 40.448 40.800 -0.145 0.000 0.963 81 D HN 0.730 nan 8.370 nan 0.000 0.506 82 R N 0.740 121.205 120.500 -0.059 0.000 2.185 82 R HA -0.114 4.227 4.340 0.002 0.000 0.247 82 R C 1.529 177.808 176.300 -0.035 0.000 1.159 82 R CA 1.195 57.272 56.100 -0.039 0.000 0.988 82 R CB -0.729 29.557 30.300 -0.023 0.000 0.871 82 R HN 0.227 nan 8.270 nan 0.000 0.458 83 L N 1.018 122.216 121.223 -0.041 0.000 2.513 83 L HA 0.205 4.546 4.340 0.002 0.000 0.222 83 L C 0.278 177.132 176.870 -0.026 0.000 1.096 83 L CA -0.412 54.413 54.840 -0.024 0.000 0.857 83 L CB 0.668 42.721 42.059 -0.009 0.000 1.026 83 L HN -0.069 nan 8.230 nan 0.000 0.469 84 V N 1.098 120.970 119.914 -0.071 0.000 2.715 84 V HA 0.077 4.198 4.120 0.002 0.000 0.299 84 V C 0.212 176.291 176.094 -0.025 0.000 1.054 84 V CA 0.119 62.375 62.300 -0.074 0.000 1.077 84 V CB 0.857 32.541 31.823 -0.231 0.000 0.972 84 V HN 0.201 nan 8.190 nan 0.000 0.484 85 K N 2.186 122.598 120.400 0.020 0.000 2.443 85 K HA 0.386 4.708 4.320 0.002 0.000 0.251 85 K C -0.459 176.169 176.600 0.046 0.000 0.972 85 K CA -0.895 55.406 56.287 0.024 0.000 0.833 85 K CB 2.414 34.929 32.500 0.025 0.000 1.317 85 K HN 0.762 nan 8.250 nan 0.000 0.441 86 E N 0.403 120.623 120.200 0.033 0.000 2.417 86 E HA 0.002 4.353 4.350 0.002 0.000 0.261 86 E C 0.475 177.103 176.600 0.046 0.000 1.000 86 E CA 1.345 57.768 56.400 0.040 0.000 0.919 86 E CB 0.211 29.923 29.700 0.021 0.000 0.955 86 E HN 0.787 nan 8.360 nan 0.000 0.455 87 G N 3.982 112.819 108.800 0.061 0.000 2.279 87 G HA2 -0.329 3.632 3.960 0.002 0.000 0.223 87 G HA3 -0.329 3.632 3.960 0.002 0.000 0.223 87 G C 0.301 175.245 174.900 0.074 0.000 1.015 87 G CA 0.216 45.351 45.100 0.060 0.000 0.621 87 G HN 0.678 nan 8.290 nan 0.000 0.506 88 E N 0.527 120.782 120.200 0.091 0.000 2.508 88 E HA 0.264 4.615 4.350 0.002 0.000 0.266 88 E C 0.308 176.974 176.600 0.110 0.000 1.010 88 E CA -0.105 56.362 56.400 0.112 0.000 0.955 88 E CB 0.264 30.058 29.700 0.157 0.000 0.946 88 E HN 0.539 nan 8.360 nan 0.000 0.454 89 L N 4.959 126.229 121.223 0.079 0.000 2.275 89 L HA 0.377 4.718 4.340 0.002 0.000 0.288 89 L C -1.217 175.629 176.870 -0.040 0.000 1.046 89 L CA -0.758 54.096 54.840 0.024 0.000 0.805 89 L CB 1.139 43.209 42.059 0.019 0.000 1.193 89 L HN 0.342 nan 8.230 nan 0.000 0.426 90 V N 4.913 124.741 119.914 -0.144 0.000 2.513 90 V HA 0.473 4.594 4.120 0.002 0.000 0.299 90 V C -0.263 175.698 176.094 -0.222 0.000 1.035 90 V CA -0.821 61.266 62.300 -0.355 0.000 0.889 90 V CB 1.597 33.076 31.823 -0.573 0.000 0.988 90 V HN 0.675 nan 8.190 nan 0.000 0.440 91 K N 3.605 123.882 120.400 -0.204 0.000 2.270 91 K HA 0.523 4.844 4.320 0.002 0.000 0.255 91 K C -0.272 176.266 176.600 -0.104 0.000 0.936 91 K CA -0.837 55.381 56.287 -0.115 0.000 0.809 91 K CB 1.546 34.006 32.500 -0.067 0.000 1.131 91 K HN 0.639 nan 8.250 nan 0.000 0.427 92 R N 1.624 122.078 120.500 -0.077 0.000 2.623 92 R HA 0.016 4.357 4.340 0.002 0.000 0.271 92 R C 0.514 176.795 176.300 -0.032 0.000 1.043 92 R CA 0.355 56.423 56.100 -0.053 0.000 1.083 92 R CB 0.632 30.906 30.300 -0.044 0.000 0.974 92 R HN 0.687 nan 8.270 nan 0.000 0.436 93 T N 0.588 115.133 114.554 -0.016 0.000 3.040 93 T HA 0.083 4.434 4.350 0.002 0.000 0.252 93 T C 1.205 175.904 174.700 -0.003 0.000 1.064 93 T CA 0.728 62.826 62.100 -0.002 0.000 1.110 93 T CB 0.272 69.148 68.868 0.014 0.000 0.921 93 T HN 0.933 nan 8.240 nan 0.000 0.480 94 G N 2.096 110.893 108.800 -0.004 0.000 2.168 94 G HA2 -0.251 3.710 3.960 0.002 0.000 0.263 94 G HA3 -0.251 3.710 3.960 0.002 0.000 0.263 94 G C -0.127 174.775 174.900 0.004 0.000 0.977 94 G CA 0.082 45.180 45.100 -0.003 0.000 0.659 94 G HN 0.567 nan 8.290 nan 0.000 0.533 95 N N -0.039 118.667 118.700 0.011 0.000 2.314 95 N HA 0.612 5.353 4.740 0.002 0.000 0.294 95 N C 0.017 175.543 175.510 0.026 0.000 1.029 95 N CA -1.091 51.967 53.050 0.014 0.000 0.845 95 N CB 1.368 39.863 38.487 0.012 0.000 1.321 95 N HN 0.004 nan 8.380 nan 0.000 0.481 96 I N 1.778 122.361 120.570 0.023 0.000 2.634 96 I HA 0.049 4.220 4.170 0.002 0.000 0.284 96 I C 0.573 176.712 176.117 0.036 0.000 1.124 96 I CA -0.498 60.821 61.300 0.032 0.000 1.417 96 I CB 0.410 38.422 38.000 0.020 0.000 1.396 96 I HN 0.296 nan 8.210 nan 0.000 0.571 97 V N 6.702 126.653 119.914 0.061 0.000 2.583 97 V HA -0.079 4.043 4.120 0.002 0.000 0.302 97 V C 0.453 176.558 176.094 0.018 0.000 1.033 97 V CA 0.314 62.646 62.300 0.053 0.000 1.194 97 V CB -0.709 31.180 31.823 0.110 0.000 0.879 97 V HN 0.912 nan 8.190 nan 0.000 0.482 98 D N 4.605 125.003 120.400 -0.004 0.000 2.727 98 D HA 0.788 5.429 4.640 0.002 0.000 0.264 98 D C -0.570 175.717 176.300 -0.022 0.000 1.101 98 D CA -0.575 53.421 54.000 -0.007 0.000 1.122 98 D CB 2.201 42.999 40.800 -0.004 0.000 1.390 98 D HN 0.480 nan 8.370 nan 0.000 0.606 99 V N -5.345 114.559 119.914 -0.017 0.000 3.120 99 V HA 0.568 4.690 4.120 0.002 0.000 0.303 99 V C -2.978 173.098 176.094 -0.030 0.000 1.238 99 V CA -2.030 60.254 62.300 -0.027 0.000 1.008 99 V CB 1.747 33.558 31.823 -0.019 0.000 1.064 99 V HN 0.557 nan 8.190 nan 0.000 0.434 100 P HA 0.307 nan 4.420 nan 0.000 0.267 100 P C -0.426 176.821 177.300 -0.088 0.000 1.205 100 P CA 0.265 63.326 63.100 -0.065 0.000 0.765 100 P CB 1.272 32.932 31.700 -0.068 0.000 0.828 101 V N 0.220 120.059 119.914 -0.125 0.000 3.001 101 V HA 1.036 5.158 4.120 0.002 0.000 0.314 101 V C -0.001 175.823 176.094 -0.450 0.000 1.099 101 V CA -0.514 61.659 62.300 -0.211 0.000 0.989 101 V CB 1.612 33.380 31.823 -0.091 0.000 1.040 101 V HN 0.943 nan 8.190 nan 0.000 0.434 102 G N 1.833 110.145 108.800 -0.814 0.000 2.347 102 G HA2 0.325 4.286 3.960 0.002 0.000 0.321 102 G HA3 0.325 4.286 3.960 0.002 0.000 0.321 102 G C -2.639 171.562 174.900 -1.165 0.000 1.412 102 G CA 0.076 44.366 45.100 -1.349 0.000 0.990 102 G HN 0.645 nan 8.290 nan 0.000 0.637 103 P HA -0.011 nan 4.420 nan 0.000 0.220 103 P C 1.964 179.097 177.300 -0.279 0.000 1.148 103 P CA 1.659 64.368 63.100 -0.653 0.000 0.803 103 P CB -0.135 31.294 31.700 -0.451 0.000 0.782 104 G N 0.472 109.097 108.800 -0.292 0.000 2.499 104 G HA2 -0.226 3.735 3.960 0.002 0.000 0.221 104 G HA3 -0.226 3.735 3.960 0.002 0.000 0.221 104 G C 1.389 176.229 174.900 -0.100 0.000 1.109 104 G CA 0.461 45.468 45.100 -0.154 0.000 0.749 104 G HN 0.244 nan 8.290 nan 0.000 0.568 105 L N 0.099 121.249 121.223 -0.122 0.000 2.478 105 L HA 0.283 4.625 4.340 0.002 0.000 0.223 105 L C 1.473 178.361 176.870 0.029 0.000 1.140 105 L CA -0.042 54.767 54.840 -0.051 0.000 0.842 105 L CB -0.177 41.840 42.059 -0.069 0.000 0.953 105 L HN 0.126 nan 8.230 nan 0.000 0.452 106 L N -0.444 120.827 121.223 0.079 0.000 2.492 106 L HA 0.063 4.404 4.340 0.002 0.000 0.280 106 L C 1.664 178.576 176.870 0.069 0.000 1.240 106 L CA 0.776 55.699 54.840 0.139 0.000 0.831 106 L CB -0.317 41.877 42.059 0.225 0.000 1.100 106 L HN 0.406 nan 8.230 nan 0.000 0.505 107 G N 0.687 109.514 108.800 0.046 0.000 2.196 107 G HA2 -0.253 3.709 3.960 0.002 0.000 0.268 107 G HA3 -0.253 3.709 3.960 0.002 0.000 0.268 107 G C 0.399 175.299 174.900 0.001 0.000 0.975 107 G CA 0.140 45.242 45.100 0.003 0.000 0.648 107 G HN 0.499 nan 8.290 nan 0.000 0.538 108 R N -0.705 119.804 120.500 0.014 0.000 2.758 108 R HA 0.731 5.072 4.340 0.002 0.000 0.265 108 R C -0.429 175.881 176.300 0.016 0.000 1.016 108 R CA -0.727 55.379 56.100 0.009 0.000 1.040 108 R CB 1.738 32.041 30.300 0.004 0.000 1.152 108 R HN 0.243 nan 8.270 nan 0.000 0.503 109 V N 1.819 121.741 119.914 0.013 0.000 2.483 109 V HA 0.423 4.544 4.120 0.002 0.000 0.297 109 V C 0.028 176.132 176.094 0.016 0.000 1.027 109 V CA -0.825 61.488 62.300 0.022 0.000 0.855 109 V CB 1.606 33.443 31.823 0.023 0.000 0.995 109 V HN 0.628 nan 8.190 nan 0.000 0.424 110 V N 1.024 120.949 119.914 0.018 0.000 3.126 110 V HA 0.859 4.981 4.120 0.002 0.000 0.314 110 V C -0.332 175.769 176.094 0.011 0.000 1.138 110 V CA -0.787 61.518 62.300 0.008 0.000 1.034 110 V CB 2.140 33.962 31.823 -0.002 0.000 1.075 110 V HN 0.801 nan 8.190 nan 0.000 0.442 111 D N 1.675 122.077 120.400 0.003 0.000 2.440 111 D HA 0.509 5.150 4.640 0.002 0.000 0.269 111 D C 1.261 177.557 176.300 -0.007 0.000 1.249 111 D CA 0.178 54.181 54.000 0.004 0.000 1.055 111 D CB 0.716 41.519 40.800 0.005 0.000 1.104 111 D HN 0.824 nan 8.370 nan 0.000 0.561 112 A N -0.812 122.003 122.820 -0.009 0.000 1.972 112 A HA -0.055 4.266 4.320 0.002 0.000 0.219 112 A C 2.240 179.789 177.584 -0.057 0.000 1.169 112 A CA 1.052 53.079 52.037 -0.016 0.000 0.635 112 A CB -0.924 18.083 19.000 0.013 0.000 0.810 112 A HN 0.510 nan 8.150 nan 0.000 0.446 113 L N -1.165 119.997 121.223 -0.102 0.000 2.612 113 L HA 0.235 4.576 4.340 0.002 0.000 0.230 113 L C 1.611 178.434 176.870 -0.078 0.000 1.140 113 L CA 0.515 55.274 54.840 -0.134 0.000 0.896 113 L CB -0.066 41.864 42.059 -0.214 0.000 1.065 113 L HN 0.562 nan 8.230 nan 0.000 0.447 114 G N -0.434 108.336 108.800 -0.050 0.000 2.159 114 G HA2 -0.265 3.696 3.960 0.002 0.000 0.256 114 G HA3 -0.265 3.696 3.960 0.002 0.000 0.256 114 G C 0.137 175.017 174.900 -0.034 0.000 0.977 114 G CA -0.286 44.792 45.100 -0.037 0.000 0.652 114 G HN 0.412 nan 8.290 nan 0.000 0.531 115 N N 2.341 121.020 118.700 -0.034 0.000 2.447 115 N HA 0.271 5.012 4.740 0.002 0.000 0.263 115 N C -2.393 173.108 175.510 -0.014 0.000 1.226 115 N CA -0.353 52.682 53.050 -0.024 0.000 0.906 115 N CB 1.088 39.562 38.487 -0.021 0.000 1.060 115 N HN 0.261 nan 8.380 nan 0.000 0.468 116 P HA 0.101 nan 4.420 nan 0.000 0.271 116 P C 0.428 177.728 177.300 -0.001 0.000 1.220 116 P CA -0.087 63.009 63.100 -0.007 0.000 0.768 116 P CB 0.424 32.118 31.700 -0.009 0.000 0.848 117 I N -0.531 120.042 120.570 0.004 0.000 4.009 117 I HA 0.239 4.410 4.170 0.002 0.000 0.331 117 I C 0.301 176.423 176.117 0.008 0.000 1.462 117 I CA -0.179 61.126 61.300 0.008 0.000 1.117 117 I CB -0.167 37.842 38.000 0.014 0.000 1.091 117 I HN 0.010 nan 8.210 nan 0.000 0.410 118 D N 0.835 121.238 120.400 0.005 0.000 2.340 118 D HA 0.173 4.814 4.640 0.002 0.000 0.217 118 D C 1.666 177.966 176.300 0.001 0.000 1.081 118 D CA 0.295 54.297 54.000 0.003 0.000 0.842 118 D CB 0.000 40.801 40.800 0.001 0.000 0.934 118 D HN 0.370 nan 8.370 nan 0.000 0.511 119 G N 1.159 109.960 108.800 0.001 0.000 2.203 119 G HA2 -0.369 3.592 3.960 0.002 0.000 0.263 119 G HA3 -0.369 3.592 3.960 0.002 0.000 0.263 119 G C 0.739 175.637 174.900 -0.002 0.000 1.012 119 G CA 0.520 45.620 45.100 -0.000 0.000 0.749 119 G HN 0.465 nan 8.290 nan 0.000 0.512 120 K N 0.220 120.618 120.400 -0.003 0.000 2.397 120 K HA 0.429 4.750 4.320 0.002 0.000 0.202 120 K C 1.519 178.116 176.600 -0.006 0.000 1.022 120 K CA 0.292 56.576 56.287 -0.005 0.000 1.141 120 K CB 0.571 33.068 32.500 -0.005 0.000 0.857 120 K HN 1.385 nan 8.250 nan 0.000 0.514 121 G N 2.656 111.452 108.800 -0.006 0.000 2.568 121 G HA2 -0.220 3.741 3.960 0.002 0.000 0.222 121 G HA3 -0.220 3.741 3.960 0.002 0.000 0.222 121 G C -2.733 172.160 174.900 -0.011 0.000 1.321 121 G CA -1.104 43.992 45.100 -0.008 0.000 0.893 121 G HN 0.059 nan 8.290 nan 0.000 0.569 122 P HA 0.461 nan 4.420 nan 0.000 0.269 122 P C 0.189 177.475 177.300 -0.024 0.000 1.209 122 P CA -0.383 62.706 63.100 -0.018 0.000 0.776 122 P CB 0.390 32.079 31.700 -0.018 0.000 0.876 123 I N 2.285 122.837 120.570 -0.031 0.000 2.472 123 I HA 0.171 4.342 4.170 0.002 0.000 0.290 123 I C 0.347 176.433 176.117 -0.052 0.000 1.016 123 I CA -0.122 61.153 61.300 -0.043 0.000 1.348 123 I CB 0.449 38.419 38.000 -0.050 0.000 1.417 123 I HN 0.231 nan 8.210 nan 0.000 0.521 124 D N 5.053 125.416 120.400 -0.063 0.000 2.280 124 D HA 0.546 5.187 4.640 0.002 0.000 0.236 124 D C -0.149 176.083 176.300 -0.114 0.000 1.082 124 D CA -0.106 53.851 54.000 -0.073 0.000 0.834 124 D CB 1.870 42.634 40.800 -0.059 0.000 1.100 124 D HN 0.590 nan 8.370 nan 0.000 0.486 125 A N 1.292 124.045 122.820 -0.113 0.000 2.330 125 A HA 0.631 4.952 4.320 0.002 0.000 0.327 125 A C 1.022 178.518 177.584 -0.147 0.000 1.155 125 A CA -0.498 51.444 52.037 -0.158 0.000 0.803 125 A CB 1.502 20.427 19.000 -0.126 0.000 1.208 125 A HN 0.503 nan 8.150 nan 0.000 0.477 126 A N 1.765 124.453 122.820 -0.219 0.000 1.972 126 A HA 0.424 4.745 4.320 0.002 0.000 0.219 126 A C 1.269 178.837 177.584 -0.027 0.000 1.169 126 A CA 2.104 54.073 52.037 -0.113 0.000 0.635 126 A CB -0.371 18.558 19.000 -0.117 0.000 0.810 126 A HN 2.250 nan 8.150 nan 0.000 0.446 127 G N -1.957 106.813 108.800 -0.050 0.000 2.428 127 G HA2 0.516 4.477 3.960 0.002 0.000 0.305 127 G HA3 0.516 4.477 3.960 0.002 0.000 0.305 127 G C -1.438 173.448 174.900 -0.022 0.000 1.260 127 G CA -0.974 44.121 45.100 -0.009 0.000 0.853 127 G HN 0.273 nan 8.290 nan 0.000 0.480 128 R N -0.182 120.317 120.500 -0.002 0.000 2.575 128 R HA 0.690 5.031 4.340 0.002 0.000 0.293 128 R C -1.088 175.219 176.300 0.012 0.000 0.983 128 R CA -0.633 55.464 56.100 -0.005 0.000 0.887 128 R CB 2.242 32.535 30.300 -0.011 0.000 1.184 128 R HN 0.457 nan 8.270 nan 0.000 0.445 129 S N 1.873 117.583 115.700 0.016 0.000 2.532 129 S HA 0.451 4.922 4.470 0.002 0.000 0.301 129 S C -0.060 174.549 174.600 0.015 0.000 1.083 129 S CA -0.991 57.223 58.200 0.023 0.000 1.025 129 S CB 1.758 64.983 63.200 0.040 0.000 1.056 129 S HN 0.396 nan 8.310 nan 0.000 0.494 130 R N 0.606 121.113 120.500 0.012 0.000 2.811 130 R HA 0.183 4.524 4.340 0.002 0.000 0.265 130 R C 1.437 177.743 176.300 0.010 0.000 1.026 130 R CA 0.209 56.313 56.100 0.006 0.000 1.142 130 R CB 0.120 30.420 30.300 -0.001 0.000 1.027 130 R HN 0.818 nan 8.270 nan 0.000 0.465 131 A N 2.123 124.946 122.820 0.006 0.000 1.898 131 A HA -0.098 4.223 4.320 0.002 0.000 0.216 131 A C 0.510 178.081 177.584 -0.021 0.000 1.181 131 A CA 1.172 53.222 52.037 0.022 0.000 0.620 131 A CB 0.103 19.121 19.000 0.029 0.000 0.819 131 A HN 0.530 nan 8.150 nan 0.000 0.442 132 Q N 0.367 120.108 119.800 -0.099 0.000 2.368 132 Q HA 0.503 4.844 4.340 0.002 0.000 0.256 132 Q C -1.447 174.505 176.000 -0.081 0.000 0.980 132 Q CA -0.049 55.646 55.803 -0.180 0.000 0.887 132 Q CB 1.577 30.162 28.738 -0.256 0.000 1.221 132 Q HN 0.171 nan 8.270 nan 0.000 0.458 133 V N 3.070 122.954 119.914 -0.050 0.000 2.531 133 V HA 0.278 4.399 4.120 0.002 0.000 0.301 133 V C 0.154 176.243 176.094 -0.008 0.000 1.034 133 V CA -1.060 61.232 62.300 -0.014 0.000 0.865 133 V CB 2.020 33.850 31.823 0.012 0.000 0.995 133 V HN 0.615 nan 8.190 nan 0.000 0.424 134 K N 2.773 123.172 120.400 -0.000 0.000 2.550 134 K HA 0.257 4.578 4.320 0.002 0.000 0.280 134 K C 0.534 177.144 176.600 0.017 0.000 0.987 134 K CA 0.270 56.565 56.287 0.013 0.000 1.048 134 K CB 0.509 33.019 32.500 0.016 0.000 0.879 134 K HN 0.876 nan 8.250 nan 0.000 0.491 135 A N 5.073 127.907 122.820 0.024 0.000 2.313 135 A HA 0.286 4.607 4.320 0.002 0.000 0.261 135 A C -2.081 175.518 177.584 0.025 0.000 1.090 135 A CA -1.279 50.774 52.037 0.027 0.000 0.807 135 A CB -0.309 18.710 19.000 0.031 0.000 1.055 135 A HN 0.470 nan 8.150 nan 0.000 0.492 136 P HA 0.156 nan 4.420 nan 0.000 0.262 136 P C 0.661 177.975 177.300 0.023 0.000 1.182 136 P CA 0.820 63.933 63.100 0.020 0.000 0.761 136 P CB 0.364 32.077 31.700 0.022 0.000 0.795 137 G N 1.714 110.525 108.800 0.019 0.000 2.486 137 G HA2 0.091 4.052 3.960 0.002 0.000 0.272 137 G HA3 0.091 4.052 3.960 0.002 0.000 0.272 137 G C 0.927 175.839 174.900 0.020 0.000 1.426 137 G CA -0.386 44.727 45.100 0.021 0.000 1.058 137 G HN 0.355 nan 8.290 nan 0.000 0.531 138 I N -0.983 119.599 120.570 0.019 0.000 2.406 138 I HA 0.031 4.202 4.170 0.002 0.000 0.249 138 I C 2.554 178.678 176.117 0.013 0.000 1.122 138 I CA 0.451 61.762 61.300 0.017 0.000 1.431 138 I CB -0.239 37.772 38.000 0.018 0.000 1.087 138 I HN 0.311 nan 8.210 nan 0.000 0.424 139 L N 1.577 122.805 121.223 0.010 0.000 2.027 139 L HA -0.036 4.305 4.340 0.002 0.000 0.206 139 L C -0.719 176.154 176.870 0.004 0.000 1.074 139 L CA 1.725 56.568 54.840 0.005 0.000 0.745 139 L CB -1.410 40.651 42.059 0.004 0.000 0.898 139 L HN 0.177 nan 8.230 nan 0.000 0.433 140 P HA 0.024 nan 4.420 nan 0.000 0.259 140 P C -0.435 176.870 177.300 0.007 0.000 1.480 140 P CA 0.383 63.485 63.100 0.003 0.000 0.842 140 P CB -0.068 31.633 31.700 0.002 0.000 1.513 141 R N -0.138 120.367 120.500 0.009 0.000 2.919 141 R HA 0.715 5.056 4.340 0.002 0.000 0.260 141 R C -0.040 176.266 176.300 0.010 0.000 1.067 141 R CA -0.834 55.275 56.100 0.015 0.000 1.003 141 R CB 2.315 32.627 30.300 0.019 0.000 1.192 141 R HN -0.058 nan 8.270 nan 0.000 0.488 142 R N -0.149 120.361 120.500 0.016 0.000 2.698 142 R HA 0.329 4.670 4.340 0.002 0.000 0.275 142 R C -1.134 175.177 176.300 0.018 0.000 1.001 142 R CA -0.508 55.595 56.100 0.005 0.000 0.896 142 R CB 2.036 32.333 30.300 -0.005 0.000 1.218 142 R HN 0.671 nan 8.270 nan 0.000 0.462 143 S N 1.593 117.295 115.700 0.003 0.000 2.546 143 S HA 0.029 4.500 4.470 0.002 0.000 0.290 143 S C 0.125 174.770 174.600 0.075 0.000 1.290 143 S CA -0.460 57.753 58.200 0.022 0.000 1.069 143 S CB 0.794 63.996 63.200 0.004 0.000 0.846 143 S HN 0.363 nan 8.310 nan 0.000 0.495 144 V N 5.186 125.143 119.914 0.071 0.000 2.694 144 V HA 0.021 4.142 4.120 0.002 0.000 0.306 144 V C 1.392 177.564 176.094 0.131 0.000 1.054 144 V CA 0.865 63.212 62.300 0.078 0.000 1.161 144 V CB -0.027 31.807 31.823 0.018 0.000 0.916 144 V HN 1.131 nan 8.190 nan 0.000 0.490 145 H N 1.767 120.802 119.070 -0.058 0.000 3.883 145 H HA 0.265 4.823 4.556 0.002 0.000 0.263 145 H C 0.079 175.358 175.328 -0.081 0.000 1.115 145 H CA -0.356 55.658 56.048 -0.056 0.000 1.193 145 H CB 0.453 30.191 29.762 -0.041 0.000 1.447 145 H HN 0.600 nan 8.280 nan 0.000 0.831 146 E N 3.748 123.581 120.200 -0.612 0.000 2.175 146 E HA 0.399 4.750 4.350 0.002 0.000 0.278 146 E C -2.721 173.672 176.600 -0.344 0.000 0.969 146 E CA -2.035 54.034 56.400 -0.552 0.000 0.796 146 E CB 2.024 31.349 29.700 -0.625 0.000 1.104 146 E HN 0.199 nan 8.360 nan 0.000 0.395 147 P HA 0.014 nan 4.420 nan 0.000 0.275 147 P C -0.787 176.346 177.300 -0.278 0.000 1.228 147 P CA -0.331 62.630 63.100 -0.231 0.000 0.786 147 P CB 0.643 32.223 31.700 -0.199 0.000 0.927 148 V N 4.175 123.962 119.914 -0.212 0.000 2.320 148 V HA 0.118 4.240 4.120 0.002 0.000 0.265 148 V C 0.489 176.485 176.094 -0.163 0.000 1.048 148 V CA -0.098 62.076 62.300 -0.209 0.000 0.865 148 V CB -0.015 31.722 31.823 -0.144 0.000 1.043 148 V HN 0.491 nan 8.190 nan 0.000 0.474 149 Q N 2.350 122.021 119.800 -0.216 0.000 2.286 149 Q HA 0.099 4.441 4.340 0.002 0.000 0.265 149 Q C 1.402 177.413 176.000 0.018 0.000 1.080 149 Q CA 0.269 56.025 55.803 -0.078 0.000 0.906 149 Q CB 1.033 29.755 28.738 -0.027 0.000 1.227 149 Q HN 0.950 nan 8.270 nan 0.000 0.409 150 T N -0.889 113.676 114.554 0.018 0.000 3.035 150 T HA 0.145 4.496 4.350 0.002 0.000 0.259 150 T C 1.334 176.065 174.700 0.052 0.000 1.078 150 T CA 0.589 62.706 62.100 0.027 0.000 1.132 150 T CB 0.187 69.057 68.868 0.003 0.000 0.900 150 T HN 0.832 nan 8.240 nan 0.000 0.480 151 G N 1.112 109.951 108.800 0.065 0.000 2.195 151 G HA2 -0.174 3.787 3.960 0.002 0.000 0.246 151 G HA3 -0.174 3.787 3.960 0.002 0.000 0.246 151 G C -0.083 174.837 174.900 0.034 0.000 0.984 151 G CA 0.049 45.186 45.100 0.062 0.000 0.633 151 G HN 0.621 nan 8.290 nan 0.000 0.525 152 L N 1.112 122.347 121.223 0.021 0.000 2.257 152 L HA 0.398 4.739 4.340 0.002 0.000 0.290 152 L C 1.762 178.640 176.870 0.014 0.000 1.044 152 L CA -0.848 53.998 54.840 0.010 0.000 0.810 152 L CB 1.201 43.259 42.059 -0.002 0.000 1.193 152 L HN 0.086 nan 8.230 nan 0.000 0.425 153 K N 2.564 122.973 120.400 0.016 0.000 2.032 153 K HA -0.301 4.020 4.320 0.002 0.000 0.218 153 K C 2.013 178.620 176.600 0.012 0.000 1.054 153 K CA 1.999 58.296 56.287 0.017 0.000 0.941 153 K CB -0.317 32.193 32.500 0.017 0.000 0.720 153 K HN 0.806 nan 8.250 nan 0.000 0.449 154 A N 1.108 123.934 122.820 0.010 0.000 1.892 154 A HA -0.183 4.138 4.320 0.002 0.000 0.218 154 A C 2.492 180.086 177.584 0.016 0.000 1.188 154 A CA 2.076 54.121 52.037 0.013 0.000 0.631 154 A CB -0.874 18.135 19.000 0.014 0.000 0.822 154 A HN 0.126 nan 8.150 nan 0.000 0.447 155 V N 0.382 120.303 119.914 0.012 0.000 2.244 155 V HA -0.213 3.908 4.120 0.002 0.000 0.244 155 V C 2.246 178.345 176.094 0.008 0.000 1.042 155 V CA 2.259 64.565 62.300 0.009 0.000 1.006 155 V CB -0.926 30.898 31.823 0.002 0.000 0.641 155 V HN 0.498 nan 8.190 nan 0.000 0.446 156 D N 0.417 120.822 120.400 0.007 0.000 2.123 156 D HA -0.142 4.499 4.640 0.002 0.000 0.196 156 D C 2.136 178.441 176.300 0.007 0.000 0.992 156 D CA 1.726 55.728 54.000 0.005 0.000 0.833 156 D CB -0.368 40.440 40.800 0.013 0.000 0.954 156 D HN 0.441 nan 8.370 nan 0.000 0.455 157 A N 0.209 123.036 122.820 0.011 0.000 1.854 157 A HA -0.044 4.277 4.320 0.002 0.000 0.214 157 A C 2.300 179.893 177.584 0.014 0.000 1.192 157 A CA 0.961 53.004 52.037 0.011 0.000 0.611 157 A CB -0.543 18.462 19.000 0.008 0.000 0.832 157 A HN 0.215 nan 8.150 nan 0.000 0.442 158 L N -0.777 120.458 121.223 0.019 0.000 2.357 158 L HA 0.109 4.450 4.340 0.002 0.000 0.211 158 L C 0.501 177.388 176.870 0.029 0.000 1.075 158 L CA 0.514 55.371 54.840 0.028 0.000 0.830 158 L CB 0.298 42.379 42.059 0.037 0.000 0.996 158 L HN 0.307 nan 8.230 nan 0.000 0.467 159 V N -2.747 117.180 119.914 0.022 0.000 2.562 159 V HA 0.402 4.523 4.120 0.002 0.000 0.274 159 V C -2.730 173.366 176.094 0.003 0.000 1.075 159 V CA -1.836 60.475 62.300 0.018 0.000 1.204 159 V CB -0.191 31.647 31.823 0.024 0.000 1.478 159 V HN -0.087 nan 8.190 nan 0.000 0.622 160 P HA 0.345 nan 4.420 nan 0.000 0.268 160 P C -0.293 176.992 177.300 -0.025 0.000 1.205 160 P CA 0.407 63.498 63.100 -0.015 0.000 0.771 160 P CB 1.256 32.947 31.700 -0.016 0.000 0.858 161 I N 1.918 122.465 120.570 -0.040 0.000 2.377 161 I HA 0.453 4.624 4.170 0.002 0.000 0.293 161 I C 1.087 177.160 176.117 -0.073 0.000 0.987 161 I CA -0.421 60.850 61.300 -0.048 0.000 1.185 161 I CB 1.815 39.787 38.000 -0.048 0.000 1.341 161 I HN 0.336 nan 8.210 nan 0.000 0.455 162 G N 4.335 113.095 108.800 -0.068 0.000 2.437 162 G HA2 0.489 4.450 3.960 0.002 0.000 0.319 162 G HA3 0.489 4.450 3.960 0.002 0.000 0.319 162 G C -0.397 174.440 174.900 -0.104 0.000 1.158 162 G CA -0.781 44.263 45.100 -0.093 0.000 0.899 162 G HN 0.540 nan 8.290 nan 0.000 0.502 163 R N 0.208 120.614 120.500 -0.156 0.000 2.435 163 R HA 0.400 4.742 4.340 0.002 0.000 0.325 163 R C 1.181 177.437 176.300 -0.073 0.000 1.149 163 R CA 1.425 57.428 56.100 -0.162 0.000 0.995 163 R CB 0.131 30.236 30.300 -0.326 0.000 1.008 163 R HN 0.997 nan 8.270 nan 0.000 0.470 164 G N 1.804 110.585 108.800 -0.032 0.000 2.227 164 G HA2 -0.236 3.726 3.960 0.002 0.000 0.168 164 G HA3 -0.236 3.726 3.960 0.002 0.000 0.168 164 G C -0.031 174.873 174.900 0.006 0.000 1.006 164 G CA -0.467 44.637 45.100 0.007 0.000 0.684 164 G HN 0.547 nan 8.290 nan 0.000 0.489 165 Q N 0.347 120.141 119.800 -0.010 0.000 2.299 165 Q HA 0.660 5.002 4.340 0.002 0.000 0.246 165 Q C -0.057 175.940 176.000 -0.005 0.000 0.935 165 Q CA -0.536 55.263 55.803 -0.007 0.000 0.887 165 Q CB 0.484 29.212 28.738 -0.017 0.000 1.223 165 Q HN 0.294 nan 8.270 nan 0.000 0.439 166 R N 2.459 122.959 120.500 0.000 0.000 2.215 166 R HA 0.227 4.568 4.340 0.002 0.000 0.336 166 R C -1.235 175.056 176.300 -0.016 0.000 0.996 166 R CA -0.376 55.723 56.100 -0.002 0.000 0.847 166 R CB 1.152 31.455 30.300 0.005 0.000 1.127 166 R HN 0.448 nan 8.270 nan 0.000 0.465 167 E N 3.278 123.462 120.200 -0.027 0.000 2.145 167 E HA 0.192 4.543 4.350 0.002 0.000 0.262 167 E C -1.275 175.290 176.600 -0.058 0.000 0.883 167 E CA -0.906 55.470 56.400 -0.040 0.000 0.748 167 E CB 0.789 30.467 29.700 -0.037 0.000 1.140 167 E HN 0.353 nan 8.360 nan 0.000 0.417 168 L N 5.355 126.529 121.223 -0.083 0.000 2.453 168 L HA 0.369 4.710 4.340 0.002 0.000 0.272 168 L C -0.855 175.929 176.870 -0.145 0.000 1.182 168 L CA 0.426 55.195 54.840 -0.119 0.000 0.858 168 L CB 0.358 42.325 42.059 -0.153 0.000 1.120 168 L HN 0.633 nan 8.230 nan 0.000 0.474 169 I N 6.861 127.355 120.570 -0.126 0.000 2.339 169 I HA 0.424 4.595 4.170 0.002 0.000 0.290 169 I C -0.363 175.665 176.117 -0.149 0.000 0.994 169 I CA -0.254 60.971 61.300 -0.125 0.000 1.191 169 I CB 1.397 39.357 38.000 -0.067 0.000 1.343 169 I HN 0.581 nan 8.210 nan 0.000 0.458 170 I N 5.155 125.602 120.570 -0.205 0.000 2.686 170 I HA 0.881 5.052 4.170 0.002 0.000 0.295 170 I C -0.460 175.616 176.117 -0.068 0.000 1.114 170 I CA 0.003 61.193 61.300 -0.185 0.000 1.038 170 I CB 2.073 39.870 38.000 -0.338 0.000 1.238 170 I HN 0.713 nan 8.210 nan 0.000 0.420 171 G N 4.877 113.681 108.800 0.007 0.000 2.325 171 G HA2 0.167 4.128 3.960 0.002 0.000 0.297 171 G HA3 0.167 4.128 3.960 0.002 0.000 0.297 171 G C -1.960 172.965 174.900 0.042 0.000 1.448 171 G CA -0.836 44.302 45.100 0.064 0.000 0.838 171 G HN 0.502 nan 8.290 nan 0.000 0.579 172 D N 0.426 120.854 120.400 0.046 0.000 2.362 172 D HA 0.299 4.940 4.640 0.002 0.000 0.238 172 D C 1.379 177.679 176.300 0.001 0.000 1.212 172 D CA 0.051 54.068 54.000 0.029 0.000 0.902 172 D CB 0.476 41.295 40.800 0.032 0.000 1.180 172 D HN 0.713 nan 8.370 nan 0.000 0.445 173 R N 1.002 121.503 120.500 0.002 0.000 2.587 173 R HA -0.108 4.233 4.340 0.002 0.000 0.268 173 R C -0.131 176.136 176.300 -0.055 0.000 0.978 173 R CA 0.030 56.122 56.100 -0.014 0.000 1.097 173 R CB -0.064 30.236 30.300 0.001 0.000 0.917 173 R HN 0.258 nan 8.270 nan 0.000 0.414 174 Q N 0.485 120.240 119.800 -0.075 0.000 2.452 174 Q HA -0.158 4.183 4.340 0.002 0.000 0.318 174 Q C -0.021 175.808 176.000 -0.285 0.000 1.386 174 Q CA 1.703 57.417 55.803 -0.149 0.000 0.872 174 Q CB -1.508 27.150 28.738 -0.134 0.000 1.151 174 Q HN 1.017 nan 8.270 nan 0.000 0.417 175 T N -5.712 108.716 114.554 -0.210 0.000 3.043 175 T HA 0.472 4.823 4.350 0.002 0.000 0.272 175 T C 1.130 175.776 174.700 -0.090 0.000 0.990 175 T CA 0.766 62.731 62.100 -0.225 0.000 0.897 175 T CB 1.266 70.082 68.868 -0.086 0.000 1.111 175 T HN 0.761 nan 8.240 nan 0.000 0.529 176 G N 1.728 110.489 108.800 -0.065 0.000 2.205 176 G HA2 -0.219 3.743 3.960 0.002 0.000 0.180 176 G HA3 -0.219 3.743 3.960 0.002 0.000 0.180 176 G C 0.866 175.768 174.900 0.002 0.000 1.004 176 G CA 0.144 45.254 45.100 0.016 0.000 0.670 176 G HN 0.430 nan 8.290 nan 0.000 0.496 177 K N 0.082 120.478 120.400 -0.007 0.000 2.034 177 K HA -0.155 4.166 4.320 0.002 0.000 0.214 177 K C 2.467 179.073 176.600 0.010 0.000 1.051 177 K CA 2.164 58.450 56.287 -0.003 0.000 0.931 177 K CB -0.408 32.089 32.500 -0.006 0.000 0.715 177 K HN 0.376 nan 8.250 nan 0.000 0.446 178 T N 0.811 115.378 114.554 0.021 0.000 2.857 178 T HA -0.057 4.294 4.350 0.002 0.000 0.266 178 T C 1.962 176.658 174.700 -0.007 0.000 1.048 178 T CA 1.116 63.242 62.100 0.045 0.000 1.139 178 T CB -0.175 68.736 68.868 0.071 0.000 0.874 178 T HN 0.338 nan 8.240 nan 0.000 0.455 179 A N 0.920 123.718 122.820 -0.038 0.000 2.070 179 A HA 0.005 4.326 4.320 0.002 0.000 0.220 179 A C 2.490 180.021 177.584 -0.088 0.000 1.159 179 A CA 0.926 52.903 52.037 -0.099 0.000 0.656 179 A CB -0.809 18.126 19.000 -0.109 0.000 0.800 179 A HN 0.368 nan 8.150 nan 0.000 0.453 180 V N -0.518 119.372 119.914 -0.042 0.000 2.323 180 V HA -0.169 3.953 4.120 0.002 0.000 0.244 180 V C 3.028 179.107 176.094 -0.025 0.000 1.041 180 V CA 1.805 64.086 62.300 -0.031 0.000 1.025 180 V CB -0.986 30.827 31.823 -0.016 0.000 0.656 180 V HN 0.585 nan 8.190 nan 0.000 0.451 181 A N -0.512 122.304 122.820 -0.007 0.000 1.930 181 A HA -0.157 4.164 4.320 0.002 0.000 0.217 181 A C 2.107 179.688 177.584 -0.005 0.000 1.175 181 A CA 1.749 53.794 52.037 0.014 0.000 0.627 181 A CB -0.498 18.545 19.000 0.072 0.000 0.815 181 A HN 0.431 nan 8.150 nan 0.000 0.443 182 L N -0.359 120.838 121.223 -0.043 0.000 2.156 182 L HA -0.068 4.273 4.340 0.002 0.000 0.208 182 L C 1.263 178.092 176.870 -0.067 0.000 1.095 182 L CA 1.979 56.771 54.840 -0.080 0.000 0.770 182 L CB -0.395 41.602 42.059 -0.104 0.000 0.914 182 L HN 0.265 nan 8.230 nan 0.000 0.439 183 D N -1.765 118.591 120.400 -0.075 0.000 2.277 183 D HA -0.072 4.569 4.640 0.002 0.000 0.208 183 D C 1.993 178.287 176.300 -0.011 0.000 0.962 183 D CA 1.080 55.043 54.000 -0.061 0.000 0.865 183 D CB 0.197 40.945 40.800 -0.087 0.000 0.939 183 D HN 0.303 nan 8.370 nan 0.000 0.510 184 T N 0.527 115.080 114.554 -0.002 0.000 2.701 184 T HA -0.052 4.300 4.350 0.002 0.000 0.263 184 T C 2.185 176.917 174.700 0.053 0.000 1.040 184 T CA 0.567 62.681 62.100 0.023 0.000 1.147 184 T CB -0.199 68.673 68.868 0.007 0.000 0.865 184 T HN 0.106 nan 8.240 nan 0.000 0.426 185 I N 1.132 121.735 120.570 0.054 0.000 2.118 185 I HA -0.191 3.980 4.170 0.002 0.000 0.241 185 I C 2.360 178.583 176.117 0.177 0.000 1.070 185 I CA 1.359 62.730 61.300 0.118 0.000 1.327 185 I CB -0.516 37.521 38.000 0.061 0.000 1.034 185 I HN 0.184 nan 8.210 nan 0.000 0.405 186 L N 0.177 121.449 121.223 0.081 0.000 2.127 186 L HA -0.243 4.098 4.340 0.002 0.000 0.211 186 L C 2.204 179.143 176.870 0.114 0.000 1.089 186 L CA 1.530 56.418 54.840 0.079 0.000 0.757 186 L CB -0.798 41.229 42.059 -0.053 0.000 0.899 186 L HN 0.363 nan 8.230 nan 0.000 0.434 187 N N -0.369 118.388 118.700 0.095 0.000 2.396 187 N HA -0.164 4.577 4.740 0.002 0.000 0.180 187 N C 1.687 177.287 175.510 0.149 0.000 1.028 187 N CA 0.606 53.716 53.050 0.100 0.000 0.893 187 N CB 0.119 38.680 38.487 0.123 0.000 0.967 187 N HN 0.170 nan 8.380 nan 0.000 0.440 188 Q N 0.232 120.123 119.800 0.152 0.000 2.541 188 Q HA -0.067 4.274 4.340 0.002 0.000 0.215 188 Q C 1.369 177.325 176.000 -0.074 0.000 0.977 188 Q CA 0.487 56.361 55.803 0.117 0.000 0.934 188 Q CB -0.145 28.511 28.738 -0.137 0.000 0.988 188 Q HN 0.469 nan 8.270 nan 0.000 0.521 189 K N 0.759 121.117 120.400 -0.070 0.000 2.211 189 K HA -0.068 4.253 4.320 0.002 0.000 0.203 189 K C 1.648 178.104 176.600 -0.240 0.000 1.050 189 K CA 0.597 56.822 56.287 -0.103 0.000 0.945 189 K CB 0.187 32.697 32.500 0.016 0.000 0.732 189 K HN 0.129 nan 8.250 nan 0.000 0.451 190 R N -0.961 119.249 120.500 -0.483 0.000 2.237 190 R HA -0.112 4.229 4.340 0.002 0.000 0.219 190 R C 1.261 177.032 176.300 -0.882 0.000 1.080 190 R CA 1.073 56.646 56.100 -0.879 0.000 0.995 190 R CB 0.059 29.400 30.300 -1.598 0.000 0.875 190 R HN 0.388 nan 8.270 nan 0.000 0.462 191 W N -1.130 120.085 121.300 -0.142 0.000 2.942 191 W HA 0.235 4.896 4.660 0.002 0.000 0.260 191 W C 1.042 177.446 176.519 -0.191 0.000 1.101 191 W CA -0.546 56.713 57.345 -0.144 0.000 1.436 191 W CB -0.255 29.118 29.460 -0.144 0.000 0.883 191 W HN 0.015 nan 8.180 nan 0.000 0.646 192 N N 1.210 119.852 118.700 -0.096 0.000 2.396 192 N HA -0.099 4.642 4.740 0.002 0.000 0.180 192 N C 1.108 176.536 175.510 -0.136 0.000 1.028 192 N CA 0.837 53.724 53.050 -0.270 0.000 0.893 192 N CB -0.474 37.586 38.487 -0.711 0.000 0.967 192 N HN 0.044 nan 8.380 nan 0.000 0.440 193 N N 0.249 118.895 118.700 -0.091 0.000 2.494 193 N HA 0.009 4.750 4.740 0.002 0.000 0.182 193 N C 0.896 176.391 175.510 -0.024 0.000 1.076 193 N CA 0.212 53.236 53.050 -0.043 0.000 0.908 193 N CB 0.015 38.470 38.487 -0.053 0.000 0.967 193 N HN 0.166 nan 8.380 nan 0.000 0.449 194 G N -0.683 108.106 108.800 -0.018 0.000 2.557 194 G HA2 0.276 4.238 3.960 0.002 0.000 0.292 194 G HA3 0.276 4.238 3.960 0.002 0.000 0.292 194 G C 0.882 175.802 174.900 0.033 0.000 1.237 194 G CA 0.068 45.174 45.100 0.010 0.000 0.978 194 G HN 0.231 nan 8.290 nan 0.000 0.498 195 S N -1.247 114.479 115.700 0.043 0.000 2.441 195 S HA -0.002 4.469 4.470 0.002 0.000 0.224 195 S C 0.898 175.541 174.600 0.071 0.000 1.043 195 S CA 0.584 58.819 58.200 0.058 0.000 0.948 195 S CB -0.182 63.047 63.200 0.048 0.000 0.810 195 S HN 0.537 nan 8.310 nan 0.000 0.504 196 D N 2.390 122.830 120.400 0.065 0.000 2.854 196 D HA -0.067 4.574 4.640 0.002 0.000 0.243 196 D C 0.760 177.114 176.300 0.090 0.000 1.243 196 D CA 0.382 54.426 54.000 0.073 0.000 0.883 196 D CB 0.511 41.357 40.800 0.076 0.000 1.145 196 D HN 0.418 nan 8.370 nan 0.000 0.555 197 E N 1.758 122.014 120.200 0.094 0.000 2.299 197 E HA -0.099 4.252 4.350 0.002 0.000 0.193 197 E C 1.840 178.511 176.600 0.118 0.000 0.998 197 E CA 0.855 57.331 56.400 0.126 0.000 0.851 197 E CB 0.027 29.794 29.700 0.113 0.000 0.795 197 E HN 0.417 nan 8.360 nan 0.000 0.492 198 S N -0.374 115.381 115.700 0.092 0.000 2.436 198 S HA -0.039 4.432 4.470 0.002 0.000 0.228 198 S C 1.668 176.346 174.600 0.129 0.000 1.014 198 S CA 0.675 58.941 58.200 0.110 0.000 0.950 198 S CB -0.042 63.206 63.200 0.080 0.000 0.784 198 S HN 0.139 nan 8.310 nan 0.000 0.504 199 K N 0.517 120.954 120.400 0.061 0.000 2.356 199 K HA 0.211 4.532 4.320 0.002 0.000 0.195 199 K C 0.202 176.761 176.600 -0.068 0.000 1.037 199 K CA 0.117 56.372 56.287 -0.054 0.000 1.014 199 K CB 0.214 32.699 32.500 -0.025 0.000 0.815 199 K HN 0.344 nan 8.250 nan 0.000 0.507 200 K N 1.401 121.826 120.400 0.040 0.000 2.295 200 K HA 0.105 4.426 4.320 0.002 0.000 0.270 200 K C -0.593 175.981 176.600 -0.043 0.000 1.011 200 K CA -0.197 56.068 56.287 -0.036 0.000 0.953 200 K CB 0.654 33.127 32.500 -0.045 0.000 0.956 200 K HN -0.149 nan 8.250 nan 0.000 0.477 201 L N 4.443 125.536 121.223 -0.217 0.000 2.454 201 L HA 0.265 4.606 4.340 0.002 0.000 0.258 201 L C -1.592 175.130 176.870 -0.247 0.000 1.025 201 L CA -0.375 54.380 54.840 -0.142 0.000 0.901 201 L CB 0.330 42.302 42.059 -0.144 0.000 1.210 201 L HN 0.449 nan 8.230 nan 0.000 0.457 202 Y N 2.981 123.118 120.300 -0.270 0.000 2.465 202 Y HA 0.286 4.837 4.550 0.002 0.000 0.331 202 Y C 0.758 176.519 175.900 -0.231 0.000 1.102 202 Y CA -0.003 57.883 58.100 -0.356 0.000 1.358 202 Y CB 0.563 38.390 38.460 -1.055 0.000 1.213 202 Y HN 0.470 nan 8.280 nan 0.000 0.525 203 C N 3.763 123.133 119.300 0.116 0.000 2.341 203 C HA 0.690 5.151 4.460 0.002 0.000 0.338 203 C C -0.163 174.884 174.990 0.095 0.000 1.257 203 C CA -1.036 58.046 59.018 0.106 0.000 1.883 203 C CB 0.505 28.351 27.740 0.177 0.000 2.334 203 C HN 0.564 nan 8.230 nan 0.000 0.524 204 V N 3.256 123.213 119.914 0.072 0.000 2.483 204 V HA 0.343 4.464 4.120 0.002 0.000 0.297 204 V C -1.044 175.085 176.094 0.058 0.000 1.027 204 V CA -0.577 61.769 62.300 0.076 0.000 0.855 204 V CB 1.240 33.104 31.823 0.068 0.000 0.995 204 V HN 0.817 nan 8.190 nan 0.000 0.424 205 Y N 4.570 124.843 120.300 -0.045 0.000 2.335 205 Y HA 0.682 5.233 4.550 0.002 0.000 0.338 205 Y C -0.419 175.456 175.900 -0.042 0.000 0.977 205 Y CA -0.700 57.363 58.100 -0.062 0.000 1.114 205 Y CB 1.914 40.349 38.460 -0.042 0.000 1.182 205 Y HN 0.404 nan 8.280 nan 0.000 0.463 206 V N 6.569 126.129 119.914 -0.589 0.000 2.275 206 V HA 0.542 4.664 4.120 0.002 0.000 0.272 206 V C 0.042 175.855 176.094 -0.468 0.000 1.028 206 V CA -0.761 61.326 62.300 -0.356 0.000 0.810 206 V CB 0.513 32.248 31.823 -0.146 0.000 1.043 206 V HN 0.926 nan 8.190 nan 0.000 0.453 207 A N 5.132 127.785 122.820 -0.279 0.000 2.347 207 A HA 0.680 5.002 4.320 0.002 0.000 0.287 207 A C -0.263 177.288 177.584 -0.055 0.000 1.199 207 A CA -0.226 51.733 52.037 -0.130 0.000 0.851 207 A CB 0.410 19.455 19.000 0.074 0.000 1.118 207 A HN 0.687 nan 8.150 nan 0.000 0.525 208 V N 2.595 122.480 119.914 -0.049 0.000 2.407 208 V HA 0.618 4.739 4.120 0.002 0.000 0.291 208 V C 1.127 177.231 176.094 0.018 0.000 1.018 208 V CA 0.360 62.654 62.300 -0.009 0.000 0.842 208 V CB 0.683 32.492 31.823 -0.022 0.000 0.996 208 V HN 1.809 nan 8.190 nan 0.000 0.426 209 G N 3.751 112.573 108.800 0.036 0.000 2.168 209 G HA2 -0.248 3.713 3.960 0.002 0.000 0.263 209 G HA3 -0.248 3.713 3.960 0.002 0.000 0.263 209 G C 0.226 175.151 174.900 0.043 0.000 0.977 209 G CA 0.491 45.618 45.100 0.044 0.000 0.659 209 G HN 0.662 nan 8.290 nan 0.000 0.533 210 Q N 0.124 119.951 119.800 0.044 0.000 2.443 210 Q HA 0.415 4.756 4.340 0.002 0.000 0.232 210 Q C 0.817 176.846 176.000 0.049 0.000 1.026 210 Q CA 0.147 55.982 55.803 0.052 0.000 0.924 210 Q CB 0.549 29.330 28.738 0.072 0.000 1.256 210 Q HN 0.626 nan 8.270 nan 0.000 0.519 211 K N 0.637 121.066 120.400 0.047 0.000 2.174 211 K HA 0.216 4.537 4.320 0.002 0.000 0.275 211 K C 0.271 176.897 176.600 0.044 0.000 1.015 211 K CA -0.457 55.855 56.287 0.041 0.000 0.933 211 K CB 1.137 33.658 32.500 0.035 0.000 1.025 211 K HN 0.461 nan 8.250 nan 0.000 0.463 212 R N 0.975 121.499 120.500 0.040 0.000 2.134 212 R HA -0.253 4.088 4.340 0.002 0.000 0.248 212 R C 2.403 178.724 176.300 0.035 0.000 1.143 212 R CA 2.518 58.641 56.100 0.038 0.000 0.957 212 R CB -0.587 29.732 30.300 0.032 0.000 0.867 212 R HN 0.981 nan 8.270 nan 0.000 0.441 213 S N -0.151 115.567 115.700 0.030 0.000 2.374 213 S HA -0.194 4.277 4.470 0.002 0.000 0.227 213 S C 1.939 176.557 174.600 0.029 0.000 1.037 213 S CA 1.963 60.179 58.200 0.026 0.000 1.024 213 S CB -0.665 62.549 63.200 0.023 0.000 0.861 213 S HN 0.292 nan 8.310 nan 0.000 0.456 214 T N 2.178 116.754 114.554 0.037 0.000 2.759 214 T HA -0.036 4.315 4.350 0.002 0.000 0.269 214 T C 1.906 176.633 174.700 0.045 0.000 1.042 214 T CA 1.537 63.663 62.100 0.043 0.000 1.140 214 T CB -0.610 68.290 68.868 0.054 0.000 0.864 214 T HN 0.375 nan 8.240 nan 0.000 0.455 215 V N 1.706 121.654 119.914 0.057 0.000 2.379 215 V HA -0.079 4.042 4.120 0.002 0.000 0.245 215 V C 2.927 179.037 176.094 0.026 0.000 1.044 215 V CA 1.406 63.744 62.300 0.062 0.000 1.036 215 V CB -1.328 30.546 31.823 0.085 0.000 0.664 215 V HN 0.505 nan 8.190 nan 0.000 0.453 216 A N 0.107 122.941 122.820 0.022 0.000 1.933 216 A HA -0.304 4.017 4.320 0.002 0.000 0.218 216 A C 2.220 179.802 177.584 -0.002 0.000 1.175 216 A CA 2.209 54.251 52.037 0.009 0.000 0.628 216 A CB -0.550 18.456 19.000 0.010 0.000 0.814 216 A HN 0.547 nan 8.150 nan 0.000 0.444 217 Q N -0.543 119.259 119.800 0.002 0.000 2.167 217 Q HA -0.048 4.293 4.340 0.002 0.000 0.202 217 Q C 1.768 177.758 176.000 -0.016 0.000 0.970 217 Q CA 1.686 57.488 55.803 -0.002 0.000 0.855 217 Q CB -0.406 28.340 28.738 0.012 0.000 0.911 217 Q HN 0.626 nan 8.270 nan 0.000 0.438 218 L N -0.641 120.563 121.223 -0.031 0.000 2.127 218 L HA -0.002 4.340 4.340 0.002 0.000 0.203 218 L C 2.074 178.889 176.870 -0.092 0.000 1.080 218 L CA 1.061 55.852 54.840 -0.083 0.000 0.768 218 L CB -0.178 41.785 42.059 -0.160 0.000 0.924 218 L HN 0.291 nan 8.230 nan 0.000 0.444 219 V N -2.621 117.254 119.914 -0.065 0.000 3.141 219 V HA -0.187 3.935 4.120 0.002 0.000 0.265 219 V C 2.062 178.128 176.094 -0.047 0.000 1.126 219 V CA 1.534 63.799 62.300 -0.059 0.000 1.141 219 V CB -0.645 31.157 31.823 -0.035 0.000 0.743 219 V HN 0.629 nan 8.190 nan 0.000 0.492 220 Q N 0.300 120.077 119.800 -0.038 0.000 2.172 220 Q HA -0.125 4.217 4.340 0.002 0.000 0.200 220 Q C 2.185 178.163 176.000 -0.037 0.000 0.964 220 Q CA 2.082 57.864 55.803 -0.035 0.000 0.855 220 Q CB -0.003 28.718 28.738 -0.029 0.000 0.918 220 Q HN 0.751 nan 8.270 nan 0.000 0.444 221 T N 1.119 115.652 114.554 -0.036 0.000 2.894 221 T HA 0.018 4.370 4.350 0.002 0.000 0.258 221 T C 1.897 176.621 174.700 0.039 0.000 1.043 221 T CA 0.412 62.504 62.100 -0.013 0.000 1.141 221 T CB -0.069 68.771 68.868 -0.047 0.000 0.873 221 T HN 0.198 nan 8.240 nan 0.000 0.449 222 L N 0.771 121.972 121.223 -0.036 0.000 2.043 222 L HA -0.175 4.166 4.340 0.002 0.000 0.212 222 L C 2.698 179.544 176.870 -0.041 0.000 1.075 222 L CA 1.507 56.310 54.840 -0.062 0.000 0.752 222 L CB -0.532 41.446 42.059 -0.134 0.000 0.891 222 L HN 0.276 nan 8.230 nan 0.000 0.432 223 E N -0.012 120.160 120.200 -0.046 0.000 2.038 223 E HA -0.282 4.069 4.350 0.002 0.000 0.195 223 E C 2.257 178.832 176.600 -0.041 0.000 1.000 223 E CA 1.430 57.801 56.400 -0.047 0.000 0.803 223 E CB -0.057 29.615 29.700 -0.046 0.000 0.750 223 E HN 0.397 nan 8.360 nan 0.000 0.448 224 Q N -0.900 118.875 119.800 -0.042 0.000 2.291 224 Q HA -0.125 4.216 4.340 0.002 0.000 0.206 224 Q C 1.202 177.082 176.000 -0.201 0.000 0.976 224 Q CA 0.911 56.643 55.803 -0.117 0.000 0.875 224 Q CB 0.116 28.764 28.738 -0.150 0.000 0.927 224 Q HN 0.456 nan 8.270 nan 0.000 0.450 225 H N -0.955 118.067 119.070 -0.081 0.000 2.586 225 H HA 0.031 4.588 4.556 0.002 0.000 0.273 225 H C -0.230 175.074 175.328 -0.040 0.000 0.997 225 H CA 0.227 56.242 56.048 -0.054 0.000 1.177 225 H CB 0.522 30.262 29.762 -0.036 0.000 1.471 225 H HN 0.220 nan 8.280 nan 0.000 0.538 226 D N 0.583 120.994 120.400 0.019 0.000 2.689 226 D HA -0.188 4.453 4.640 0.002 0.000 0.237 226 D C 0.817 177.103 176.300 -0.024 0.000 1.148 226 D CA 0.636 54.631 54.000 -0.009 0.000 0.656 226 D CB -0.820 39.983 40.800 0.005 0.000 1.050 226 D HN 0.519 nan 8.370 nan 0.000 0.426 227 A N -0.100 122.633 122.820 -0.145 0.000 2.259 227 A HA 0.191 4.512 4.320 0.002 0.000 0.213 227 A C 1.798 178.915 177.584 -0.779 0.000 1.209 227 A CA 0.712 52.431 52.037 -0.530 0.000 0.910 227 A CB -0.029 18.790 19.000 -0.302 0.000 0.946 227 A HN 0.339 nan 8.150 nan 0.000 0.497 228 M N 1.429 120.812 119.600 -0.362 0.000 2.267 228 M HA -0.148 4.334 4.480 0.002 0.000 0.263 228 M C 1.831 177.999 176.300 -0.220 0.000 1.063 228 M CA 2.099 57.245 55.300 -0.257 0.000 1.090 228 M CB -0.501 32.020 32.600 -0.131 0.000 1.392 228 M HN 0.465 nan 8.290 nan 0.000 0.422 229 K N -0.777 119.507 120.400 -0.193 0.000 2.362 229 K HA -0.153 4.168 4.320 0.002 0.000 0.200 229 K C 0.759 177.390 176.600 0.052 0.000 1.046 229 K CA 1.570 57.833 56.287 -0.040 0.000 0.952 229 K CB -0.684 31.829 32.500 0.023 0.000 0.753 229 K HN 0.633 nan 8.250 nan 0.000 0.466 230 Y N -1.206 119.101 120.300 0.011 0.000 2.557 230 Y HA 0.500 5.051 4.550 0.002 0.000 0.247 230 Y C -0.366 175.551 175.900 0.028 0.000 1.164 230 Y CA -1.163 56.937 58.100 -0.001 0.000 1.218 230 Y CB 0.268 38.614 38.460 -0.190 0.000 1.210 230 Y HN -0.124 nan 8.280 nan 0.000 0.529 231 S N 1.067 116.715 115.700 -0.087 0.000 2.621 231 S HA 0.747 5.218 4.470 0.002 0.000 0.302 231 S C -0.767 173.862 174.600 0.050 0.000 1.093 231 S CA -0.632 57.558 58.200 -0.016 0.000 1.017 231 S CB 1.926 65.042 63.200 -0.140 0.000 1.077 231 S HN 0.226 nan 8.310 nan 0.000 0.517 232 I N 2.160 122.784 120.570 0.090 0.000 2.498 232 I HA 0.391 4.562 4.170 0.002 0.000 0.290 232 I C -1.070 175.102 176.117 0.091 0.000 1.032 232 I CA -0.645 60.710 61.300 0.092 0.000 1.073 232 I CB 1.514 39.591 38.000 0.129 0.000 1.251 232 I HN 0.370 nan 8.210 nan 0.000 0.426 233 I N 6.558 127.174 120.570 0.077 0.000 2.392 233 I HA 0.427 4.598 4.170 0.002 0.000 0.295 233 I C -0.143 176.017 176.117 0.072 0.000 0.985 233 I CA -0.863 60.500 61.300 0.105 0.000 1.221 233 I CB 1.510 39.572 38.000 0.103 0.000 1.366 233 I HN 0.138 nan 8.210 nan 0.000 0.467 234 V N 5.265 125.215 119.914 0.060 0.000 2.376 234 V HA 0.670 4.791 4.120 0.002 0.000 0.287 234 V C 0.163 176.269 176.094 0.020 0.000 1.015 234 V CA -0.618 61.700 62.300 0.029 0.000 0.834 234 V CB 1.535 33.366 31.823 0.014 0.000 1.001 234 V HN 0.887 nan 8.190 nan 0.000 0.428 235 A N 4.131 126.970 122.820 0.031 0.000 2.291 235 A HA 0.868 5.189 4.320 0.002 0.000 0.311 235 A C 0.101 177.704 177.584 0.032 0.000 1.224 235 A CA -0.302 51.757 52.037 0.035 0.000 0.821 235 A CB 1.200 20.233 19.000 0.054 0.000 1.172 235 A HN 1.258 nan 8.150 nan 0.000 0.494 236 A N 3.321 126.159 122.820 0.030 0.000 2.644 236 A HA 0.610 4.932 4.320 0.002 0.000 0.343 236 A C 0.628 178.240 177.584 0.048 0.000 1.324 236 A CA 0.062 52.127 52.037 0.047 0.000 0.846 236 A CB -0.523 18.512 19.000 0.057 0.000 1.128 236 A HN 1.168 nan 8.150 nan 0.000 0.484 237 T N -1.400 113.184 114.554 0.049 0.000 2.770 237 T HA 0.530 4.881 4.350 0.002 0.000 0.281 237 T C 1.524 176.253 174.700 0.049 0.000 0.981 237 T CA 0.051 62.180 62.100 0.048 0.000 0.955 237 T CB 1.061 69.957 68.868 0.047 0.000 1.060 237 T HN 0.935 nan 8.240 nan 0.000 0.531 238 A N 0.711 123.558 122.820 0.045 0.000 2.024 238 A HA -0.037 4.285 4.320 0.002 0.000 0.220 238 A C 2.454 180.062 177.584 0.041 0.000 1.164 238 A CA 1.869 53.932 52.037 0.043 0.000 0.643 238 A CB -1.337 17.686 19.000 0.039 0.000 0.806 238 A HN 1.112 nan 8.150 nan 0.000 0.451 239 S N -0.378 115.345 115.700 0.039 0.000 2.593 239 S HA 0.096 4.567 4.470 0.002 0.000 0.217 239 S C 0.317 174.941 174.600 0.041 0.000 0.966 239 S CA -0.242 57.979 58.200 0.035 0.000 0.914 239 S CB -0.169 63.049 63.200 0.030 0.000 0.776 239 S HN 0.620 nan 8.310 nan 0.000 0.523 240 E N 1.654 121.886 120.200 0.052 0.000 2.313 240 E HA 0.549 4.900 4.350 0.002 0.000 0.272 240 E C -0.106 176.539 176.600 0.076 0.000 1.038 240 E CA -0.498 55.942 56.400 0.067 0.000 0.863 240 E CB 1.118 30.865 29.700 0.077 0.000 1.060 240 E HN 0.406 nan 8.360 nan 0.000 0.402 241 A N 2.094 124.964 122.820 0.083 0.000 2.584 241 A HA 0.097 4.418 4.320 0.002 0.000 0.239 241 A C 1.414 179.058 177.584 0.100 0.000 1.043 241 A CA 0.737 52.819 52.037 0.074 0.000 0.756 241 A CB 0.107 19.149 19.000 0.071 0.000 0.963 241 A HN 0.842 nan 8.150 nan 0.000 0.511 242 A N 4.388 127.250 122.820 0.070 0.000 1.940 242 A HA -0.138 4.183 4.320 0.002 0.000 0.221 242 A C -0.101 177.574 177.584 0.152 0.000 1.190 242 A CA 2.258 54.353 52.037 0.096 0.000 0.647 242 A CB -1.648 17.385 19.000 0.055 0.000 0.821 242 A HN 0.662 nan 8.150 nan 0.000 0.457 243 P HA -0.108 nan 4.420 nan 0.000 0.219 243 P C 1.363 178.945 177.300 0.470 0.000 1.146 243 P CA 0.760 63.958 63.100 0.163 0.000 0.808 243 P CB -0.089 31.477 31.700 -0.224 0.000 0.779 244 L N -1.136 120.327 121.223 0.399 0.000 2.156 244 L HA -0.141 4.200 4.340 0.002 0.000 0.208 244 L C 2.485 179.493 176.870 0.231 0.000 1.095 244 L CA 1.378 56.425 54.840 0.344 0.000 0.770 244 L CB -0.621 41.585 42.059 0.246 0.000 0.914 244 L HN 0.043 nan 8.230 nan 0.000 0.439 245 Q N -1.128 118.797 119.800 0.209 0.000 2.096 245 Q HA -0.219 4.123 4.340 0.002 0.000 0.197 245 Q C 2.071 178.165 176.000 0.157 0.000 0.964 245 Q CA 1.485 57.377 55.803 0.149 0.000 0.838 245 Q CB -0.241 28.576 28.738 0.132 0.000 0.906 245 Q HN 0.472 nan 8.270 nan 0.000 0.444 246 Y N 1.186 121.549 120.300 0.106 0.000 2.165 246 Y HA -0.264 4.287 4.550 0.002 0.000 0.286 246 Y C 1.913 177.884 175.900 0.118 0.000 1.155 246 Y CA 1.221 59.385 58.100 0.107 0.000 1.164 246 Y CB -0.148 38.415 38.460 0.172 0.000 0.978 246 Y HN 0.060 nan 8.280 nan 0.000 0.513 247 L N 0.507 121.838 121.223 0.181 0.000 2.179 247 L HA 0.073 4.414 4.340 0.002 0.000 0.208 247 L C 2.597 179.471 176.870 0.007 0.000 1.096 247 L CA 1.615 56.533 54.840 0.131 0.000 0.779 247 L CB -1.244 41.016 42.059 0.336 0.000 0.922 247 L HN 0.343 nan 8.230 nan 0.000 0.443 248 A N 0.411 123.223 122.820 -0.013 0.000 1.903 248 A HA -0.198 4.123 4.320 0.002 0.000 0.219 248 A C -0.031 177.492 177.584 -0.102 0.000 1.191 248 A CA 2.303 54.317 52.037 -0.038 0.000 0.638 248 A CB -2.054 16.936 19.000 -0.017 0.000 0.823 248 A HN 0.376 nan 8.150 nan 0.000 0.451 249 P HA -0.119 nan 4.420 nan 0.000 0.215 249 P C 1.040 178.156 177.300 -0.308 0.000 1.157 249 P CA 1.146 64.040 63.100 -0.344 0.000 0.868 249 P CB -0.207 31.010 31.700 -0.806 0.000 0.788 250 F N -0.052 119.800 119.950 -0.163 0.000 2.102 250 F HA -0.160 4.368 4.527 0.002 0.000 0.298 250 F C 2.436 178.203 175.800 -0.056 0.000 1.105 250 F CA 1.876 59.793 58.000 -0.138 0.000 1.239 250 F CB -2.361 36.510 39.000 -0.216 0.000 0.991 250 F HN -0.028 nan 8.300 nan 0.000 0.474 251 T N -1.850 112.780 114.554 0.127 0.000 2.867 251 T HA -0.040 4.311 4.350 0.002 0.000 0.268 251 T C 2.067 176.805 174.700 0.064 0.000 1.057 251 T CA 0.913 63.057 62.100 0.074 0.000 1.136 251 T CB -0.773 68.116 68.868 0.035 0.000 0.874 251 T HN 0.221 nan 8.240 nan 0.000 0.466 252 A N 1.385 124.243 122.820 0.063 0.000 2.014 252 A HA 0.535 4.856 4.320 0.002 0.000 0.218 252 A C 2.719 180.370 177.584 0.113 0.000 1.163 252 A CA 1.241 53.324 52.037 0.076 0.000 0.652 252 A CB -1.095 17.944 19.000 0.065 0.000 0.808 252 A HN 0.678 nan 8.150 nan 0.000 0.449 253 A N -0.030 122.876 122.820 0.143 0.000 1.898 253 A HA -0.059 4.262 4.320 0.002 0.000 0.216 253 A C 2.430 180.090 177.584 0.128 0.000 1.181 253 A CA 2.005 54.136 52.037 0.156 0.000 0.620 253 A CB -0.838 18.260 19.000 0.163 0.000 0.819 253 A HN 0.465 nan 8.150 nan 0.000 0.442 254 S N 0.258 116.022 115.700 0.108 0.000 2.353 254 S HA -0.162 4.309 4.470 0.002 0.000 0.222 254 S C 1.817 176.475 174.600 0.097 0.000 1.035 254 S CA 1.539 59.794 58.200 0.091 0.000 1.025 254 S CB -0.626 62.614 63.200 0.066 0.000 0.902 254 S HN 0.530 nan 8.310 nan 0.000 0.440 255 I N 1.785 122.404 120.570 0.081 0.000 2.145 255 I HA -0.240 3.931 4.170 0.002 0.000 0.244 255 I C 2.725 178.939 176.117 0.161 0.000 1.075 255 I CA 1.481 62.823 61.300 0.070 0.000 1.332 255 I CB -0.934 37.108 38.000 0.070 0.000 1.033 255 I HN 0.419 nan 8.210 nan 0.000 0.410 256 G N -0.265 108.668 108.800 0.221 0.000 2.422 256 G HA2 -0.195 3.766 3.960 0.002 0.000 0.218 256 G HA3 -0.195 3.766 3.960 0.002 0.000 0.218 256 G C 1.517 176.605 174.900 0.314 0.000 1.140 256 G CA 0.410 45.712 45.100 0.337 0.000 0.775 256 G HN 0.415 nan 8.290 nan 0.000 0.545 257 E N -0.747 119.571 120.200 0.197 0.000 2.150 257 E HA -0.133 4.218 4.350 0.002 0.000 0.193 257 E C 1.912 178.577 176.600 0.108 0.000 0.985 257 E CA 0.496 56.978 56.400 0.137 0.000 0.814 257 E CB -0.192 29.565 29.700 0.095 0.000 0.752 257 E HN 0.662 nan 8.360 nan 0.000 0.466 258 W N 0.577 121.818 121.300 -0.099 0.000 2.318 258 W HA -0.270 4.391 4.660 0.002 0.000 0.313 258 W C 1.546 177.920 176.519 -0.242 0.000 1.221 258 W CA 1.642 58.854 57.345 -0.221 0.000 1.266 258 W CB -0.336 28.906 29.460 -0.363 0.000 1.150 258 W HN 0.003 nan 8.180 nan 0.000 0.496 259 F N 0.373 120.491 119.950 0.280 0.000 2.126 259 F HA -0.215 4.313 4.527 0.002 0.000 0.299 259 F C 2.729 178.441 175.800 -0.148 0.000 1.096 259 F CA 2.251 60.276 58.000 0.041 0.000 1.255 259 F CB -1.329 37.723 39.000 0.086 0.000 0.997 259 F HN -0.114 nan 8.300 nan 0.000 0.479 260 R N 0.496 121.062 120.500 0.110 0.000 2.092 260 R HA -0.140 4.202 4.340 0.002 0.000 0.231 260 R C 1.098 177.340 176.300 -0.096 0.000 1.119 260 R CA 1.774 57.888 56.100 0.024 0.000 0.970 260 R CB -0.386 29.958 30.300 0.073 0.000 0.864 260 R HN 0.150 nan 8.270 nan 0.000 0.440 261 D N 0.193 120.488 120.400 -0.175 0.000 2.349 261 D HA 0.009 4.650 4.640 0.002 0.000 0.224 261 D C -0.114 175.977 176.300 -0.348 0.000 1.029 261 D CA 0.566 54.429 54.000 -0.228 0.000 0.879 261 D CB 0.128 40.797 40.800 -0.219 0.000 0.906 261 D HN 0.241 nan 8.370 nan 0.000 0.528 262 N N -0.300 118.132 118.700 -0.446 0.000 2.610 262 N HA 0.183 4.925 4.740 0.002 0.000 0.307 262 N C 0.648 175.958 175.510 -0.333 0.000 1.813 262 N CA -0.037 52.717 53.050 -0.493 0.000 0.901 262 N CB 1.588 39.523 38.487 -0.920 0.000 1.354 262 N HN 0.014 nan 8.380 nan 0.000 0.491 263 G N 1.134 109.787 108.800 -0.244 0.000 2.180 263 G HA2 -0.343 3.618 3.960 0.002 0.000 0.263 263 G HA3 -0.343 3.618 3.960 0.002 0.000 0.263 263 G C 0.317 175.040 174.900 -0.294 0.000 0.989 263 G CA 0.998 45.972 45.100 -0.211 0.000 0.692 263 G HN 0.361 nan 8.290 nan 0.000 0.526 264 K N -0.898 119.314 120.400 -0.314 0.000 2.502 264 K HA 0.791 5.112 4.320 0.002 0.000 0.256 264 K C -0.114 176.154 176.600 -0.553 0.000 1.053 264 K CA -0.936 55.167 56.287 -0.307 0.000 1.002 264 K CB 0.860 33.356 32.500 -0.006 0.000 1.384 264 K HN 0.282 nan 8.250 nan 0.000 0.537 265 H N -0.831 118.319 119.070 0.134 0.000 2.771 265 H HA 0.555 5.112 4.556 0.002 0.000 0.361 265 H C -1.376 173.985 175.328 0.054 0.000 1.108 265 H CA -0.936 55.158 56.048 0.077 0.000 1.201 265 H CB 1.961 31.727 29.762 0.008 0.000 1.681 265 H HN 0.663 nan 8.280 nan 0.000 0.534 266 A N 2.836 125.751 122.820 0.159 0.000 2.371 266 A HA 0.526 4.847 4.320 0.002 0.000 0.311 266 A C -1.155 176.454 177.584 0.042 0.000 1.068 266 A CA -0.660 51.407 52.037 0.050 0.000 0.744 266 A CB 1.712 20.782 19.000 0.117 0.000 1.239 266 A HN 0.458 nan 8.150 nan 0.000 0.435 267 L N 2.369 123.593 121.223 0.003 0.000 2.309 267 L HA 0.773 5.115 4.340 0.002 0.000 0.282 267 L C -0.692 176.149 176.870 -0.049 0.000 1.036 267 L CA -0.413 54.413 54.840 -0.023 0.000 0.806 267 L CB 1.160 43.206 42.059 -0.022 0.000 1.220 267 L HN 0.653 nan 8.230 nan 0.000 0.429 268 I N 5.225 125.719 120.570 -0.127 0.000 2.447 268 I HA 0.473 4.644 4.170 0.002 0.000 0.287 268 I C -1.348 174.485 176.117 -0.472 0.000 1.023 268 I CA -0.637 60.490 61.300 -0.289 0.000 1.083 268 I CB 1.651 39.444 38.000 -0.345 0.000 1.245 268 I HN 0.351 nan 8.210 nan 0.000 0.434 269 V N 7.920 127.591 119.914 -0.405 0.000 2.370 269 V HA 0.308 4.429 4.120 0.002 0.000 0.283 269 V C -0.990 174.777 176.094 -0.544 0.000 1.023 269 V CA -0.463 61.632 62.300 -0.342 0.000 0.857 269 V CB 0.882 32.700 31.823 -0.008 0.000 0.985 269 V HN 0.486 nan 8.190 nan 0.000 0.443 270 Y N 2.414 122.589 120.300 -0.209 0.000 2.595 270 Y HA 0.466 5.017 4.550 0.002 0.000 0.336 270 Y C 0.266 176.009 175.900 -0.261 0.000 0.996 270 Y CA -1.079 56.864 58.100 -0.262 0.000 1.260 270 Y CB 0.731 39.045 38.460 -0.242 0.000 1.108 270 Y HN 0.551 nan 8.280 nan 0.000 0.509 271 D N 3.532 123.794 120.400 -0.231 0.000 2.462 271 D HA 0.203 4.845 4.640 0.002 0.000 0.249 271 D C -1.203 175.031 176.300 -0.110 0.000 1.117 271 D CA -0.364 53.529 54.000 -0.178 0.000 0.900 271 D CB 0.386 41.039 40.800 -0.245 0.000 1.039 271 D HN 0.649 nan 8.370 nan 0.000 0.516 272 D N 0.636 121.006 120.400 -0.050 0.000 2.523 272 D HA 0.227 4.868 4.640 0.002 0.000 0.236 272 D C 1.026 177.296 176.300 -0.050 0.000 1.094 272 D CA -0.740 53.233 54.000 -0.045 0.000 0.942 272 D CB 1.069 41.854 40.800 -0.025 0.000 1.447 272 D HN 0.089 nan 8.370 nan 0.000 0.479 273 L N 0.148 121.313 121.223 -0.097 0.000 2.376 273 L HA -0.039 4.302 4.340 0.002 0.000 0.219 273 L C 1.843 178.722 176.870 0.016 0.000 1.133 273 L CA 0.555 55.311 54.840 -0.140 0.000 0.816 273 L CB -0.309 41.462 42.059 -0.480 0.000 0.933 273 L HN 0.412 nan 8.230 nan 0.000 0.449 274 S N 0.086 115.795 115.700 0.015 0.000 2.355 274 S HA -0.150 4.321 4.470 0.002 0.000 0.222 274 S C 1.951 176.621 174.600 0.117 0.000 1.031 274 S CA 1.241 59.485 58.200 0.074 0.000 0.993 274 S CB 0.010 63.240 63.200 0.050 0.000 0.859 274 S HN 0.373 nan 8.310 nan 0.000 0.453 275 K N 1.030 121.479 120.400 0.082 0.000 2.097 275 K HA -0.075 4.246 4.320 0.002 0.000 0.205 275 K C 2.416 179.084 176.600 0.113 0.000 1.050 275 K CA 0.840 57.181 56.287 0.091 0.000 0.938 275 K CB -0.160 32.376 32.500 0.059 0.000 0.718 275 K HN 0.352 nan 8.250 nan 0.000 0.442 276 Q N 0.839 120.698 119.800 0.099 0.000 2.124 276 Q HA -0.173 4.168 4.340 0.002 0.000 0.202 276 Q C 1.974 178.102 176.000 0.213 0.000 0.977 276 Q CA 1.586 57.462 55.803 0.120 0.000 0.850 276 Q CB -0.067 28.688 28.738 0.028 0.000 0.901 276 Q HN 0.323 nan 8.270 nan 0.000 0.429 277 A N 0.002 122.964 122.820 0.236 0.000 1.930 277 A HA -0.103 4.218 4.320 0.002 0.000 0.217 277 A C 2.208 180.043 177.584 0.419 0.000 1.175 277 A CA 1.349 53.561 52.037 0.292 0.000 0.627 277 A CB -0.593 18.523 19.000 0.194 0.000 0.815 277 A HN 0.290 nan 8.150 nan 0.000 0.443 278 V N -0.163 119.944 119.914 0.322 0.000 2.407 278 V HA -0.255 3.866 4.120 0.002 0.000 0.248 278 V C 3.001 179.176 176.094 0.135 0.000 1.055 278 V CA 1.949 64.367 62.300 0.196 0.000 1.049 278 V CB -1.116 30.790 31.823 0.139 0.000 0.662 278 V HN 0.612 nan 8.190 nan 0.000 0.455 279 A N -1.087 121.840 122.820 0.180 0.000 1.929 279 A HA -0.209 4.112 4.320 0.002 0.000 0.216 279 A C 2.177 179.889 177.584 0.213 0.000 1.176 279 A CA 1.597 53.736 52.037 0.169 0.000 0.628 279 A CB -0.679 18.438 19.000 0.194 0.000 0.816 279 A HN 0.588 nan 8.150 nan 0.000 0.444 280 Y N 0.710 121.098 120.300 0.145 0.000 2.224 280 Y HA -0.166 4.385 4.550 0.002 0.000 0.289 280 Y C 2.394 178.319 175.900 0.042 0.000 1.146 280 Y CA 1.756 59.924 58.100 0.114 0.000 1.182 280 Y CB -0.576 38.028 38.460 0.239 0.000 0.983 280 Y HN 0.353 nan 8.280 nan 0.000 0.524 281 R N 0.150 120.639 120.500 -0.019 0.000 2.081 281 R HA -0.233 4.109 4.340 0.002 0.000 0.235 281 R C 2.484 178.689 176.300 -0.158 0.000 1.131 281 R CA 1.928 57.920 56.100 -0.181 0.000 0.960 281 R CB -0.383 29.759 30.300 -0.263 0.000 0.856 281 R HN 0.547 nan 8.270 nan 0.000 0.436 282 Q N 0.412 120.164 119.800 -0.080 0.000 2.020 282 Q HA -0.203 4.139 4.340 0.002 0.000 0.202 282 Q C 2.211 178.164 176.000 -0.078 0.000 0.982 282 Q CA 1.762 57.524 55.803 -0.068 0.000 0.838 282 Q CB -0.170 28.552 28.738 -0.026 0.000 0.899 282 Q HN 0.378 nan 8.270 nan 0.000 0.423 283 L N 0.367 121.550 121.223 -0.068 0.000 2.030 283 L HA -0.342 3.999 4.340 0.002 0.000 0.222 283 L C 2.489 179.285 176.870 -0.123 0.000 1.082 283 L CA 2.311 57.093 54.840 -0.096 0.000 0.785 283 L CB -0.393 41.607 42.059 -0.098 0.000 0.895 283 L HN 0.227 nan 8.230 nan 0.000 0.439 284 S N -1.177 114.411 115.700 -0.186 0.000 2.395 284 S HA -0.017 4.454 4.470 0.002 0.000 0.225 284 S C 1.855 176.376 174.600 -0.130 0.000 1.027 284 S CA 0.864 58.949 58.200 -0.192 0.000 0.965 284 S CB -0.231 62.768 63.200 -0.334 0.000 0.812 284 S HN 0.312 nan 8.310 nan 0.000 0.482 285 L N 1.101 122.249 121.223 -0.125 0.000 2.056 285 L HA -0.013 4.328 4.340 0.002 0.000 0.207 285 L C 2.115 178.943 176.870 -0.070 0.000 1.078 285 L CA 1.017 55.802 54.840 -0.092 0.000 0.749 285 L CB -0.617 41.386 42.059 -0.094 0.000 0.901 285 L HN 0.271 nan 8.230 nan 0.000 0.433 286 L N -0.535 120.646 121.223 -0.070 0.000 2.201 286 L HA -0.161 4.181 4.340 0.002 0.000 0.212 286 L C 2.238 179.079 176.870 -0.049 0.000 1.105 286 L CA 0.723 55.529 54.840 -0.056 0.000 0.775 286 L CB -0.293 41.732 42.059 -0.057 0.000 0.913 286 L HN 0.286 nan 8.230 nan 0.000 0.440 287 L N -0.409 120.781 121.223 -0.055 0.000 2.552 287 L HA -0.002 4.340 4.340 0.002 0.000 0.227 287 L C 0.829 177.679 176.870 -0.033 0.000 1.146 287 L CA 0.256 55.071 54.840 -0.042 0.000 0.858 287 L CB -0.202 41.829 42.059 -0.047 0.000 0.969 287 L HN 0.324 nan 8.230 nan 0.000 0.451 288 R N -0.158 120.319 120.500 -0.039 0.000 3.776 288 R HA -0.159 4.182 4.340 0.002 0.000 0.312 288 R C 0.041 176.324 176.300 -0.029 0.000 1.181 288 R CA 0.423 56.504 56.100 -0.032 0.000 0.836 288 R CB -1.712 28.575 30.300 -0.021 0.000 1.324 288 R HN 0.375 nan 8.270 nan 0.000 0.501 289 R N 1.597 122.074 120.500 -0.038 0.000 2.316 289 R HA 0.154 4.495 4.340 0.002 0.000 0.314 289 R C -2.074 174.205 176.300 -0.035 0.000 1.069 289 R CA -1.577 54.504 56.100 -0.032 0.000 0.959 289 R CB 0.449 30.725 30.300 -0.040 0.000 0.987 289 R HN -0.099 nan 8.270 nan 0.000 0.446 290 P HA 0.010 nan 4.420 nan 0.000 0.263 290 P C -2.239 175.051 177.300 -0.016 0.000 1.195 290 P CA -0.716 62.374 63.100 -0.017 0.000 0.762 290 P CB 0.125 31.821 31.700 -0.007 0.000 0.799 291 P HA 0.360 nan 4.420 nan 0.000 0.282 291 P C 0.262 177.571 177.300 0.016 0.000 1.287 291 P CA -0.277 62.816 63.100 -0.012 0.000 0.792 291 P CB 0.938 32.620 31.700 -0.031 0.000 1.163 292 G N -0.897 107.934 108.800 0.052 0.000 3.247 292 G HA2 0.314 4.275 3.960 0.002 0.000 0.163 292 G HA3 0.314 4.275 3.960 0.002 0.000 0.163 292 G C -0.480 174.443 174.900 0.038 0.000 1.206 292 G CA -0.644 44.488 45.100 0.053 0.000 0.918 292 G HN 0.465 nan 8.290 nan 0.000 0.625 293 R N 0.738 121.231 120.500 -0.013 0.000 2.623 293 R HA 0.102 4.443 4.340 0.002 0.000 0.271 293 R C 0.172 176.525 176.300 0.088 0.000 1.043 293 R CA 0.584 56.617 56.100 -0.112 0.000 1.083 293 R CB -0.037 29.949 30.300 -0.523 0.000 0.974 293 R HN 0.694 nan 8.270 nan 0.000 0.436 294 E N 1.933 122.179 120.200 0.076 0.000 2.450 294 E HA -0.348 4.003 4.350 0.002 0.000 0.244 294 E C 0.391 177.029 176.600 0.063 0.000 1.226 294 E CA 0.545 57.039 56.400 0.156 0.000 0.720 294 E CB -1.043 28.873 29.700 0.360 0.000 1.254 294 E HN 0.827 nan 8.360 nan 0.000 0.399 295 A N -2.573 120.261 122.820 0.024 0.000 3.396 295 A HA -0.316 4.005 4.320 0.002 0.000 0.267 295 A C 0.204 177.726 177.584 -0.104 0.000 1.139 295 A CA 1.659 53.655 52.037 -0.068 0.000 1.115 295 A CB -2.053 16.869 19.000 -0.130 0.000 1.133 295 A HN 0.452 nan 8.150 nan 0.000 0.920 296 Y N 0.134 120.478 120.300 0.074 0.000 2.379 296 Y HA 0.399 4.950 4.550 0.002 0.000 0.337 296 Y C -1.560 174.354 175.900 0.024 0.000 1.238 296 Y CA -1.054 57.089 58.100 0.072 0.000 1.405 296 Y CB 0.148 38.745 38.460 0.228 0.000 1.310 296 Y HN 0.175 nan 8.280 nan 0.000 0.569 297 P HA 0.004 nan 4.420 nan 0.000 0.269 297 P C 0.654 178.045 177.300 0.152 0.000 1.209 297 P CA 0.317 63.408 63.100 -0.014 0.000 0.776 297 P CB 0.743 32.255 31.700 -0.314 0.000 0.876 298 G N 2.115 110.994 108.800 0.131 0.000 2.475 298 G HA2 -0.232 3.729 3.960 0.002 0.000 0.220 298 G HA3 -0.232 3.729 3.960 0.002 0.000 0.220 298 G C 0.612 175.647 174.900 0.225 0.000 1.125 298 G CA 0.780 45.980 45.100 0.167 0.000 0.755 298 G HN 0.637 nan 8.290 nan 0.000 0.565 299 D N 0.156 120.712 120.400 0.259 0.000 2.491 299 D HA 0.114 4.755 4.640 0.002 0.000 0.228 299 D C 1.648 178.181 176.300 0.389 0.000 1.183 299 D CA -0.454 53.746 54.000 0.334 0.000 0.827 299 D CB 0.143 41.152 40.800 0.349 0.000 0.989 299 D HN 0.097 nan 8.370 nan 0.000 0.494 300 V N -0.078 120.033 119.914 0.329 0.000 2.867 300 V HA -0.142 3.979 4.120 0.002 0.000 0.260 300 V C 1.624 177.736 176.094 0.030 0.000 1.099 300 V CA 1.190 63.614 62.300 0.206 0.000 1.122 300 V CB -0.834 31.046 31.823 0.095 0.000 0.708 300 V HN 0.277 nan 8.190 nan 0.000 0.490 301 F N -0.037 119.930 119.950 0.029 0.000 2.128 301 F HA -0.154 4.374 4.527 0.002 0.000 0.295 301 F C 2.121 177.987 175.800 0.109 0.000 1.100 301 F CA 2.184 60.203 58.000 0.032 0.000 1.260 301 F CB -0.669 38.377 39.000 0.076 0.000 1.009 301 F HN 0.323 nan 8.300 nan 0.000 0.476 302 Y N 0.934 121.257 120.300 0.038 0.000 2.207 302 Y HA -0.240 4.311 4.550 0.002 0.000 0.287 302 Y C 2.223 178.049 175.900 -0.124 0.000 1.156 302 Y CA 1.754 59.824 58.100 -0.051 0.000 1.182 302 Y CB -1.008 37.509 38.460 0.095 0.000 0.979 302 Y HN 0.252 nan 8.280 nan 0.000 0.521 303 L N -0.314 120.807 121.223 -0.170 0.000 2.051 303 L HA -0.314 4.027 4.340 0.002 0.000 0.214 303 L C 2.162 178.882 176.870 -0.250 0.000 1.076 303 L CA 2.526 57.194 54.840 -0.287 0.000 0.758 303 L CB -0.698 41.173 42.059 -0.312 0.000 0.890 303 L HN 0.391 nan 8.230 nan 0.000 0.433 304 H N -2.189 116.702 119.070 -0.298 0.000 2.486 304 H HA 0.014 4.571 4.556 0.002 0.000 0.287 304 H C 2.341 177.439 175.328 -0.384 0.000 1.010 304 H CA 0.673 56.511 56.048 -0.350 0.000 1.324 304 H CB 0.177 29.741 29.762 -0.328 0.000 1.446 304 H HN 0.522 nan 8.280 nan 0.000 0.537 305 S N 1.450 116.917 115.700 -0.389 0.000 2.383 305 S HA -0.198 4.273 4.470 0.002 0.000 0.227 305 S C 2.065 176.551 174.600 -0.190 0.000 1.026 305 S CA 1.052 59.036 58.200 -0.360 0.000 0.981 305 S CB -0.222 62.651 63.200 -0.545 0.000 0.818 305 S HN 0.516 nan 8.310 nan 0.000 0.472 306 R N 0.860 121.212 120.500 -0.248 0.000 2.115 306 R HA 0.135 4.476 4.340 0.002 0.000 0.226 306 R C 2.297 178.547 176.300 -0.083 0.000 1.100 306 R CA 1.067 57.054 56.100 -0.189 0.000 0.980 306 R CB -0.794 29.253 30.300 -0.423 0.000 0.875 306 R HN 0.422 nan 8.270 nan 0.000 0.445 307 L N 1.277 122.469 121.223 -0.051 0.000 2.012 307 L HA -0.068 4.273 4.340 0.002 0.000 0.210 307 L C 2.002 178.824 176.870 -0.080 0.000 1.073 307 L CA 1.708 56.517 54.840 -0.052 0.000 0.748 307 L CB -0.167 41.695 42.059 -0.329 0.000 0.891 307 L HN 0.245 nan 8.230 nan 0.000 0.431 308 L N -1.067 120.093 121.223 -0.105 0.000 2.375 308 L HA 0.039 4.380 4.340 0.002 0.000 0.215 308 L C 2.317 179.184 176.870 -0.006 0.000 1.108 308 L CA 0.085 54.897 54.840 -0.046 0.000 0.830 308 L CB -0.488 41.525 42.059 -0.078 0.000 0.959 308 L HN 0.198 nan 8.230 nan 0.000 0.457 309 E N 0.716 120.908 120.200 -0.014 0.000 2.265 309 E HA -0.172 4.179 4.350 0.002 0.000 0.196 309 E C 2.080 178.696 176.600 0.028 0.000 0.996 309 E CA 0.815 57.223 56.400 0.013 0.000 0.832 309 E CB 0.029 29.741 29.700 0.020 0.000 0.756 309 E HN 0.470 nan 8.360 nan 0.000 0.491 310 R N 0.447 120.966 120.500 0.033 0.000 2.189 310 R HA 0.080 4.421 4.340 0.002 0.000 0.218 310 R C 0.989 177.325 176.300 0.061 0.000 1.074 310 R CA 0.458 56.587 56.100 0.049 0.000 0.991 310 R CB 0.029 30.366 30.300 0.061 0.000 0.883 310 R HN -0.061 nan 8.270 nan 0.000 0.457 311 A N 1.193 124.053 122.820 0.066 0.000 2.440 311 A HA 0.577 4.898 4.320 0.002 0.000 0.251 311 A C -0.177 177.436 177.584 0.049 0.000 1.089 311 A CA 0.247 52.323 52.037 0.064 0.000 0.779 311 A CB 0.383 19.422 19.000 0.064 0.000 1.022 311 A HN 0.319 nan 8.150 nan 0.000 0.492 312 A N 1.866 124.715 122.820 0.050 0.000 2.581 312 A HA 0.594 4.915 4.320 0.002 0.000 0.294 312 A C -0.872 176.743 177.584 0.052 0.000 1.035 312 A CA -0.669 51.394 52.037 0.044 0.000 0.684 312 A CB 0.756 19.780 19.000 0.041 0.000 1.282 312 A HN 1.020 nan 8.150 nan 0.000 0.417 313 K N 2.196 122.626 120.400 0.049 0.000 2.292 313 K HA 0.637 4.958 4.320 0.002 0.000 0.270 313 K C -0.922 175.712 176.600 0.057 0.000 1.062 313 K CA -0.265 56.060 56.287 0.063 0.000 0.916 313 K CB 0.043 32.579 32.500 0.060 0.000 1.166 313 K HN 0.597 nan 8.250 nan 0.000 0.458 314 L N 3.456 124.714 121.223 0.058 0.000 2.439 314 L HA 0.155 4.496 4.340 0.002 0.000 0.269 314 L C 0.712 177.602 176.870 0.034 0.000 1.179 314 L CA -0.345 54.516 54.840 0.035 0.000 0.828 314 L CB 0.906 42.975 42.059 0.018 0.000 1.106 314 L HN 0.848 nan 8.230 nan 0.000 0.467 315 S N 1.088 116.798 115.700 0.016 0.000 2.608 315 S HA 0.068 4.539 4.470 0.002 0.000 0.261 315 S C 0.844 175.446 174.600 0.004 0.000 1.314 315 S CA -0.621 57.584 58.200 0.008 0.000 0.992 315 S CB 0.853 64.052 63.200 -0.001 0.000 0.935 315 S HN 0.674 nan 8.310 nan 0.000 0.564 316 E N 0.771 120.971 120.200 -0.001 0.000 2.077 316 E HA -0.204 4.147 4.350 0.002 0.000 0.193 316 E C 1.811 178.405 176.600 -0.011 0.000 0.989 316 E CA 1.205 57.603 56.400 -0.003 0.000 0.800 316 E CB -0.242 29.454 29.700 -0.006 0.000 0.746 316 E HN 0.781 nan 8.360 nan 0.000 0.452 317 K N 0.909 121.301 120.400 -0.013 0.000 2.442 317 K HA -0.154 4.167 4.320 0.002 0.000 0.199 317 K C 0.957 177.543 176.600 -0.023 0.000 1.044 317 K CA 0.977 57.254 56.287 -0.017 0.000 0.941 317 K CB 0.266 32.758 32.500 -0.014 0.000 0.759 317 K HN 0.006 nan 8.250 nan 0.000 0.472 318 E N -1.030 119.156 120.200 -0.023 0.000 2.548 318 E HA 0.105 4.456 4.350 0.002 0.000 0.206 318 E C 0.823 177.394 176.600 -0.048 0.000 1.005 318 E CA 0.535 56.915 56.400 -0.034 0.000 0.951 318 E CB 1.208 30.892 29.700 -0.026 0.000 1.035 318 E HN 0.489 nan 8.360 nan 0.000 0.470 319 G N 1.243 110.018 108.800 -0.042 0.000 2.213 319 G HA2 -0.351 3.610 3.960 0.002 0.000 0.236 319 G HA3 -0.351 3.610 3.960 0.002 0.000 0.236 319 G C 0.672 175.547 174.900 -0.042 0.000 0.991 319 G CA 0.345 45.411 45.100 -0.056 0.000 0.629 319 G HN 0.165 nan 8.290 nan 0.000 0.517 320 S N -1.522 114.173 115.700 -0.009 0.000 3.018 320 S HA -0.140 4.331 4.470 0.002 0.000 0.274 320 S C 1.607 176.260 174.600 0.088 0.000 1.300 320 S CA 1.427 59.656 58.200 0.049 0.000 1.179 320 S CB -1.511 61.732 63.200 0.072 0.000 1.427 320 S HN 2.234 nan 8.310 nan 0.000 0.668 321 G N 1.399 110.189 108.800 -0.017 0.000 2.569 321 G HA2 0.526 4.487 3.960 0.002 0.000 0.249 321 G HA3 0.526 4.487 3.960 0.002 0.000 0.249 321 G C -0.037 174.945 174.900 0.137 0.000 1.216 321 G CA 0.465 45.531 45.100 -0.057 0.000 0.845 321 G HN 1.159 nan 8.290 nan 0.000 0.568 322 S N -0.741 115.133 115.700 0.290 0.000 2.595 322 S HA 0.692 5.164 4.470 0.002 0.000 0.281 322 S C -1.372 173.335 174.600 0.177 0.000 1.117 322 S CA -0.883 57.457 58.200 0.233 0.000 0.873 322 S CB 2.107 65.432 63.200 0.208 0.000 1.108 322 S HN 0.967 nan 8.310 nan 0.000 0.477 323 L N 1.716 123.005 121.223 0.110 0.000 2.446 323 L HA 0.640 4.981 4.340 0.002 0.000 0.268 323 L C -0.752 176.147 176.870 0.048 0.000 0.975 323 L CA 0.168 55.062 54.840 0.090 0.000 0.848 323 L CB 1.663 43.779 42.059 0.096 0.000 1.225 323 L HN 0.938 nan 8.230 nan 0.000 0.410 324 T N 4.073 118.639 114.554 0.020 0.000 2.837 324 T HA 0.832 5.183 4.350 0.002 0.000 0.285 324 T C -0.275 174.407 174.700 -0.030 0.000 0.984 324 T CA -0.219 61.874 62.100 -0.011 0.000 1.049 324 T CB 1.380 70.225 68.868 -0.038 0.000 0.947 324 T HN 0.777 nan 8.240 nan 0.000 0.472 325 A N 3.451 126.257 122.820 -0.023 0.000 2.330 325 A HA 0.713 5.034 4.320 0.002 0.000 0.313 325 A C -0.483 177.073 177.584 -0.048 0.000 1.124 325 A CA -0.731 51.277 52.037 -0.048 0.000 0.774 325 A CB 0.592 19.637 19.000 0.074 0.000 1.198 325 A HN 0.861 nan 8.150 nan 0.000 0.465 326 L N 4.861 126.025 121.223 -0.098 0.000 2.371 326 L HA 0.327 4.669 4.340 0.002 0.000 0.262 326 L C -2.245 174.596 176.870 -0.048 0.000 1.054 326 L CA -1.735 53.066 54.840 -0.065 0.000 0.924 326 L CB 1.147 43.171 42.059 -0.058 0.000 1.295 326 L HN 0.496 nan 8.230 nan 0.000 0.441 327 P HA 0.142 nan 4.420 nan 0.000 0.275 327 P C -0.513 176.766 177.300 -0.036 0.000 1.227 327 P CA -0.160 62.983 63.100 0.071 0.000 0.781 327 P CB 2.135 33.843 31.700 0.013 0.000 0.906 328 V N 4.843 124.731 119.914 -0.042 0.000 2.459 328 V HA 0.351 4.472 4.120 0.002 0.000 0.295 328 V C 0.404 176.450 176.094 -0.080 0.000 1.029 328 V CA -0.616 61.649 62.300 -0.059 0.000 0.874 328 V CB 1.559 33.363 31.823 -0.031 0.000 0.985 328 V HN 0.440 nan 8.190 nan 0.000 0.438 329 I N 3.547 124.068 120.570 -0.082 0.000 2.530 329 I HA 0.453 4.625 4.170 0.002 0.000 0.297 329 I C 0.050 176.148 176.117 -0.031 0.000 1.011 329 I CA -0.581 60.678 61.300 -0.068 0.000 1.107 329 I CB 2.041 39.989 38.000 -0.087 0.000 1.285 329 I HN 0.735 nan 8.210 nan 0.000 0.436 330 E N 4.380 124.578 120.200 -0.004 0.000 2.109 330 E HA 0.359 4.710 4.350 0.002 0.000 0.278 330 E C -0.578 176.044 176.600 0.037 0.000 0.954 330 E CA -0.430 55.981 56.400 0.018 0.000 0.779 330 E CB 1.003 30.718 29.700 0.026 0.000 1.093 330 E HN 0.695 nan 8.360 nan 0.000 0.401 331 T N 1.964 116.546 114.554 0.048 0.000 2.899 331 T HA 0.292 4.643 4.350 0.002 0.000 0.284 331 T C 0.022 174.761 174.700 0.065 0.000 1.004 331 T CA -0.955 61.186 62.100 0.069 0.000 1.043 331 T CB 1.419 70.345 68.868 0.096 0.000 1.013 331 T HN 0.348 nan 8.240 nan 0.000 0.518 332 Q N 0.429 120.271 119.800 0.070 0.000 2.322 332 Q HA 0.472 4.813 4.340 0.002 0.000 0.265 332 Q C 0.946 176.983 176.000 0.061 0.000 0.985 332 Q CA -0.146 55.695 55.803 0.063 0.000 0.849 332 Q CB 1.526 30.304 28.738 0.066 0.000 1.274 332 Q HN 1.290 nan 8.270 nan 0.000 0.449 333 G N 1.732 110.564 108.800 0.054 0.000 2.283 333 G HA2 -0.272 3.689 3.960 0.002 0.000 0.280 333 G HA3 -0.272 3.689 3.960 0.002 0.000 0.280 333 G C 0.800 175.732 174.900 0.053 0.000 1.029 333 G CA 0.891 46.021 45.100 0.051 0.000 0.840 333 G HN 1.291 nan 8.290 nan 0.000 0.505 334 G N -0.968 107.869 108.800 0.062 0.000 2.155 334 G HA2 -0.233 3.728 3.960 0.002 0.000 0.257 334 G HA3 -0.233 3.728 3.960 0.002 0.000 0.257 334 G C 0.179 175.122 174.900 0.071 0.000 0.983 334 G CA 0.938 46.078 45.100 0.067 0.000 0.676 334 G HN 1.343 nan 8.290 nan 0.000 0.528 335 D N 0.537 120.982 120.400 0.075 0.000 2.453 335 D HA 0.419 5.060 4.640 0.002 0.000 0.223 335 D C 1.753 178.114 176.300 0.101 0.000 1.183 335 D CA 0.290 54.336 54.000 0.077 0.000 0.933 335 D CB 0.676 41.519 40.800 0.072 0.000 1.038 335 D HN 0.578 nan 8.370 nan 0.000 0.513 336 V N 1.017 121.000 119.914 0.114 0.000 3.406 336 V HA 0.051 4.173 4.120 0.002 0.000 0.263 336 V C 1.481 177.654 176.094 0.132 0.000 1.172 336 V CA 0.598 62.996 62.300 0.163 0.000 1.140 336 V CB -0.008 31.968 31.823 0.254 0.000 0.784 336 V HN 0.285 nan 8.190 nan 0.000 0.467 337 S N 1.057 116.817 115.700 0.101 0.000 2.562 337 S HA 0.478 4.949 4.470 0.002 0.000 0.221 337 S C 1.323 175.989 174.600 0.110 0.000 0.975 337 S CA 0.423 58.679 58.200 0.094 0.000 0.918 337 S CB -0.250 62.990 63.200 0.068 0.000 0.772 337 S HN 0.920 nan 8.310 nan 0.000 0.531 338 A N 1.109 123.997 122.820 0.114 0.000 2.547 338 A HA 0.152 4.473 4.320 0.002 0.000 0.233 338 A C 0.970 178.661 177.584 0.178 0.000 1.067 338 A CA -0.100 52.020 52.037 0.138 0.000 0.763 338 A CB -0.206 18.868 19.000 0.123 0.000 1.007 338 A HN 0.336 nan 8.150 nan 0.000 0.506 339 Y N 2.047 122.366 120.300 0.032 0.000 1.993 339 Y HA -0.269 4.282 4.550 0.002 0.000 0.267 339 Y C 1.974 177.866 175.900 -0.013 0.000 1.155 339 Y CA 2.402 60.505 58.100 0.006 0.000 1.105 339 Y CB -0.372 38.078 38.460 -0.015 0.000 0.960 339 Y HN 0.544 nan 8.280 nan 0.000 0.486 340 I N 0.601 121.046 120.570 -0.208 0.000 2.142 340 I HA -0.209 3.962 4.170 0.002 0.000 0.240 340 I C -0.332 175.740 176.117 -0.073 0.000 1.078 340 I CA 1.517 62.652 61.300 -0.275 0.000 1.343 340 I CB -2.936 34.911 38.000 -0.255 0.000 1.046 340 I HN 0.188 nan 8.210 nan 0.000 0.405 341 P HA -0.115 nan 4.420 nan 0.000 0.217 341 P C 1.832 179.164 177.300 0.053 0.000 1.148 341 P CA 1.597 64.711 63.100 0.023 0.000 0.828 341 P CB -0.148 31.590 31.700 0.062 0.000 0.783 342 T N -1.133 113.468 114.554 0.078 0.000 2.812 342 T HA -0.074 4.277 4.350 0.002 0.000 0.264 342 T C 1.632 176.401 174.700 0.115 0.000 1.042 342 T CA 1.021 63.185 62.100 0.107 0.000 1.140 342 T CB -0.732 68.214 68.868 0.130 0.000 0.870 342 T HN 0.084 nan 8.240 nan 0.000 0.445 343 N N 1.272 120.034 118.700 0.103 0.000 2.005 343 N HA -0.116 4.625 4.740 0.002 0.000 0.199 343 N C 2.004 177.628 175.510 0.190 0.000 1.054 343 N CA 1.312 54.489 53.050 0.211 0.000 0.864 343 N CB -1.000 37.568 38.487 0.134 0.000 1.063 343 N HN 0.194 nan 8.380 nan 0.000 0.428 344 V N 2.087 122.038 119.914 0.061 0.000 2.392 344 V HA -0.178 3.943 4.120 0.002 0.000 0.249 344 V C 2.334 178.431 176.094 0.006 0.000 1.059 344 V CA 1.165 63.453 62.300 -0.020 0.000 1.051 344 V CB -0.533 31.210 31.823 -0.134 0.000 0.658 344 V HN 0.281 nan 8.190 nan 0.000 0.455 345 I N 0.417 121.004 120.570 0.029 0.000 2.264 345 I HA -0.225 3.946 4.170 0.002 0.000 0.248 345 I C 2.318 178.479 176.117 0.073 0.000 1.111 345 I CA 1.680 63.003 61.300 0.038 0.000 1.382 345 I CB -0.400 37.646 38.000 0.076 0.000 1.060 345 I HN 0.297 nan 8.210 nan 0.000 0.418 346 S N 0.330 116.101 115.700 0.119 0.000 2.522 346 S HA 0.104 4.576 4.470 0.002 0.000 0.227 346 S C 1.790 176.494 174.600 0.173 0.000 0.986 346 S CA 0.668 58.958 58.200 0.150 0.000 0.929 346 S CB 0.005 63.319 63.200 0.190 0.000 0.769 346 S HN 0.365 nan 8.310 nan 0.000 0.529 347 I N 1.203 121.853 120.570 0.132 0.000 2.628 347 I HA -0.011 4.160 4.170 0.002 0.000 0.255 347 I C 1.486 177.625 176.117 0.036 0.000 1.119 347 I CA 0.475 61.822 61.300 0.079 0.000 1.448 347 I CB -0.375 37.610 38.000 -0.025 0.000 1.133 347 I HN 0.247 nan 8.210 nan 0.000 0.438 348 T N -1.774 112.788 114.554 0.014 0.000 2.732 348 T HA 0.111 4.462 4.350 0.002 0.000 0.287 348 T C 0.291 175.000 174.700 0.014 0.000 0.993 348 T CA -0.477 61.623 62.100 -0.001 0.000 0.966 348 T CB 0.702 69.553 68.868 -0.028 0.000 1.047 348 T HN 0.014 nan 8.240 nan 0.000 0.527 349 D N 0.660 121.064 120.400 0.006 0.000 2.706 349 D HA 0.425 5.066 4.640 0.002 0.000 0.236 349 D C 0.928 177.234 176.300 0.009 0.000 1.231 349 D CA 0.322 54.330 54.000 0.013 0.000 0.828 349 D CB -0.336 40.470 40.800 0.010 0.000 1.015 349 D HN 1.003 nan 8.370 nan 0.000 0.484 350 G N 0.799 109.603 108.800 0.007 0.000 2.381 350 G HA2 0.064 4.025 3.960 0.002 0.000 0.672 350 G HA3 0.064 4.025 3.960 0.002 0.000 0.672 350 G C -1.454 173.423 174.900 -0.038 0.000 1.324 350 G CA -1.057 44.047 45.100 0.006 0.000 0.975 350 G HN 0.120 nan 8.290 nan 0.000 0.593 351 Q N -1.359 118.408 119.800 -0.054 0.000 2.501 351 Q HA 0.793 5.134 4.340 0.002 0.000 0.288 351 Q C -0.617 175.301 176.000 -0.138 0.000 1.051 351 Q CA -0.708 54.987 55.803 -0.181 0.000 0.788 351 Q CB 2.244 30.726 28.738 -0.427 0.000 1.469 351 Q HN 0.720 nan 8.270 nan 0.000 0.416 352 I N 1.583 122.039 120.570 -0.190 0.000 2.390 352 I HA 0.359 4.530 4.170 0.002 0.000 0.283 352 I C -1.059 174.965 176.117 -0.155 0.000 1.016 352 I CA -0.396 60.851 61.300 -0.088 0.000 1.151 352 I CB 0.586 38.561 38.000 -0.043 0.000 1.293 352 I HN 0.449 nan 8.210 nan 0.000 0.458 353 F N 6.831 126.791 119.950 0.017 0.000 2.444 353 F HA 0.367 4.895 4.527 0.002 0.000 0.360 353 F C 0.172 175.986 175.800 0.022 0.000 1.106 353 F CA -0.163 57.849 58.000 0.019 0.000 1.170 353 F CB 0.527 39.540 39.000 0.022 0.000 1.113 353 F HN 0.205 nan 8.300 nan 0.000 0.521 354 L N 4.451 125.774 121.223 0.166 0.000 2.307 354 L HA 0.483 4.825 4.340 0.002 0.000 0.282 354 L C -0.338 176.607 176.870 0.125 0.000 1.051 354 L CA -0.516 54.396 54.840 0.121 0.000 0.804 354 L CB 1.312 43.411 42.059 0.067 0.000 1.197 354 L HN 0.529 nan 8.230 nan 0.000 0.431 355 E N 1.348 121.614 120.200 0.110 0.000 2.246 355 E HA 0.329 4.680 4.350 0.002 0.000 0.266 355 E C 0.135 176.781 176.600 0.077 0.000 0.880 355 E CA -0.521 55.934 56.400 0.092 0.000 0.762 355 E CB 2.234 31.987 29.700 0.088 0.000 1.180 355 E HN 0.723 nan 8.360 nan 0.000 0.416 356 A N 2.946 125.792 122.820 0.043 0.000 1.917 356 A HA -0.264 4.057 4.320 0.002 0.000 0.219 356 A C 1.910 179.554 177.584 0.101 0.000 1.182 356 A CA 1.719 53.759 52.037 0.005 0.000 0.633 356 A CB -0.257 18.771 19.000 0.047 0.000 0.819 356 A HN 0.731 nan 8.150 nan 0.000 0.448 357 E N -0.236 120.048 120.200 0.141 0.000 2.110 357 E HA -0.157 4.194 4.350 0.002 0.000 0.193 357 E C 1.973 178.659 176.600 0.143 0.000 0.988 357 E CA 1.193 57.694 56.400 0.168 0.000 0.804 357 E CB -0.170 29.599 29.700 0.114 0.000 0.745 357 E HN 0.691 nan 8.360 nan 0.000 0.458 358 L N -0.240 121.045 121.223 0.104 0.000 2.109 358 L HA -0.114 4.227 4.340 0.002 0.000 0.207 358 L C 2.462 179.367 176.870 0.059 0.000 1.086 358 L CA 0.617 55.504 54.840 0.078 0.000 0.760 358 L CB -0.465 41.634 42.059 0.066 0.000 0.910 358 L HN 0.125 nan 8.230 nan 0.000 0.437 359 F N 0.011 119.894 119.950 -0.113 0.000 2.126 359 F HA -0.292 4.236 4.527 0.001 0.000 0.299 359 F C 2.173 177.840 175.800 -0.222 0.000 1.096 359 F CA 1.680 59.539 58.000 -0.235 0.000 1.255 359 F CB -0.165 38.577 39.000 -0.431 0.000 0.997 359 F HN -0.013 nan 8.300 nan 0.000 0.479 360 Y N -0.099 120.352 120.300 0.253 0.000 2.475 360 Y HA 0.050 4.602 4.550 0.003 0.000 0.289 360 Y C 2.082 178.017 175.900 0.058 0.000 1.121 360 Y CA 0.649 58.850 58.100 0.169 0.000 1.257 360 Y CB -0.666 37.895 38.460 0.169 0.000 1.026 360 Y HN -0.027 nan 8.280 nan 0.000 0.555 361 K N -0.400 120.096 120.400 0.160 0.000 2.439 361 K HA 0.098 4.419 4.320 0.002 0.000 0.197 361 K C 1.043 177.662 176.600 0.031 0.000 1.041 361 K CA 0.772 57.112 56.287 0.089 0.000 0.970 361 K CB -0.156 32.386 32.500 0.071 0.000 0.773 361 K HN 0.360 nan 8.250 nan 0.000 0.479 362 G N 1.503 110.284 108.800 -0.031 0.000 2.215 362 G HA2 -0.205 3.756 3.960 0.002 0.000 0.198 362 G HA3 -0.205 3.756 3.960 0.002 0.000 0.198 362 G C -0.225 174.599 174.900 -0.127 0.000 1.047 362 G CA -0.568 44.469 45.100 -0.105 0.000 0.747 362 G HN 0.185 nan 8.290 nan 0.000 0.495 363 I N 0.499 120.980 120.570 -0.148 0.000 2.330 363 I HA 0.542 4.713 4.170 0.002 0.000 0.286 363 I C 0.306 176.309 176.117 -0.191 0.000 1.025 363 I CA -0.666 60.568 61.300 -0.110 0.000 1.197 363 I CB 1.193 39.176 38.000 -0.028 0.000 1.358 363 I HN 0.051 nan 8.210 nan 0.000 0.467 364 R N 6.573 126.962 120.500 -0.185 0.000 2.538 364 R HA 0.468 4.809 4.340 0.002 0.000 0.292 364 R C -2.757 173.490 176.300 -0.087 0.000 1.008 364 R CA -1.655 54.335 56.100 -0.183 0.000 0.896 364 R CB 1.712 31.836 30.300 -0.293 0.000 1.187 364 R HN 0.194 nan 8.270 nan 0.000 0.440 365 P HA 0.039 nan 4.420 nan 0.000 0.268 365 P C -0.423 176.881 177.300 0.006 0.000 1.205 365 P CA -0.130 62.963 63.100 -0.011 0.000 0.771 365 P CB 0.850 32.552 31.700 0.003 0.000 0.858 366 A N 4.208 127.062 122.820 0.056 0.000 2.900 366 A HA 0.101 4.422 4.320 0.002 0.000 0.246 366 A C 0.504 178.137 177.584 0.082 0.000 1.725 366 A CA -0.057 52.025 52.037 0.075 0.000 1.400 366 A CB -1.575 17.528 19.000 0.172 0.000 0.973 366 A HN 0.489 nan 8.150 nan 0.000 0.635 367 I N 1.230 121.839 120.570 0.065 0.000 2.396 367 I HA 0.015 4.186 4.170 0.002 0.000 0.289 367 I C 0.530 176.701 176.117 0.090 0.000 1.056 367 I CA -0.382 60.967 61.300 0.082 0.000 1.365 367 I CB 0.589 38.627 38.000 0.063 0.000 1.407 367 I HN 0.346 nan 8.210 nan 0.000 0.509 368 N N 6.717 125.488 118.700 0.119 0.000 2.402 368 N HA 0.046 4.787 4.740 0.002 0.000 0.259 368 N C 0.761 176.334 175.510 0.105 0.000 1.167 368 N CA 0.059 53.168 53.050 0.098 0.000 0.949 368 N CB 1.272 39.807 38.487 0.079 0.000 1.212 368 N HN 0.410 nan 8.380 nan 0.000 0.493 369 V N 4.063 124.028 119.914 0.085 0.000 2.295 369 V HA -0.178 3.943 4.120 0.002 0.000 0.246 369 V C 2.435 178.575 176.094 0.078 0.000 1.049 369 V CA 2.240 64.591 62.300 0.085 0.000 1.024 369 V CB -1.128 30.746 31.823 0.086 0.000 0.648 369 V HN 0.753 nan 8.190 nan 0.000 0.447 370 G N -0.036 108.798 108.800 0.057 0.000 2.529 370 G HA2 -0.269 3.692 3.960 0.002 0.000 0.219 370 G HA3 -0.269 3.692 3.960 0.002 0.000 0.219 370 G C 1.534 176.454 174.900 0.034 0.000 1.177 370 G CA 1.267 46.388 45.100 0.035 0.000 0.773 370 G HN 0.495 nan 8.290 nan 0.000 0.573 371 L N 0.706 121.943 121.223 0.024 0.000 2.492 371 L HA 0.155 4.496 4.340 0.002 0.000 0.223 371 L C 0.693 177.719 176.870 0.260 0.000 1.132 371 L CA -0.107 54.742 54.840 0.015 0.000 0.850 371 L CB 0.153 42.026 42.059 -0.309 0.000 0.966 371 L HN 0.025 nan 8.230 nan 0.000 0.454 372 S N 0.516 116.357 115.700 0.235 0.000 2.438 372 S HA 0.446 4.917 4.470 0.002 0.000 0.293 372 S C -0.145 174.535 174.600 0.133 0.000 1.141 372 S CA -0.591 57.746 58.200 0.229 0.000 1.080 372 S CB 1.464 64.764 63.200 0.166 0.000 0.978 372 S HN 0.079 nan 8.310 nan 0.000 0.479 373 V N 0.982 120.965 119.914 0.115 0.000 2.960 373 V HA 0.855 4.976 4.120 0.002 0.000 0.315 373 V C -0.085 176.034 176.094 0.043 0.000 1.087 373 V CA -0.852 61.492 62.300 0.072 0.000 0.982 373 V CB 1.970 33.836 31.823 0.071 0.000 1.039 373 V HN 0.631 nan 8.190 nan 0.000 0.437 374 S N 1.345 117.065 115.700 0.032 0.000 2.566 374 S HA 0.493 4.964 4.470 0.002 0.000 0.324 374 S C 0.734 175.346 174.600 0.020 0.000 1.081 374 S CA -0.688 57.523 58.200 0.017 0.000 1.105 374 S CB 1.104 64.310 63.200 0.010 0.000 0.981 374 S HN 0.829 nan 8.310 nan 0.000 0.464 375 R N 2.875 123.387 120.500 0.019 0.000 2.073 375 R HA -0.016 4.325 4.340 0.002 0.000 0.229 375 R C 1.920 178.232 176.300 0.019 0.000 1.120 375 R CA 1.234 57.348 56.100 0.023 0.000 0.967 375 R CB -0.513 29.802 30.300 0.026 0.000 0.862 375 R HN 0.583 nan 8.270 nan 0.000 0.436 376 V N 0.617 120.539 119.914 0.013 0.000 2.370 376 V HA -0.236 3.885 4.120 0.002 0.000 0.252 376 V C 1.651 177.752 176.094 0.011 0.000 1.068 376 V CA 1.922 64.229 62.300 0.011 0.000 1.061 376 V CB -1.185 30.640 31.823 0.003 0.000 0.656 376 V HN 0.778 nan 8.190 nan 0.000 0.455 377 G N 0.121 108.927 108.800 0.009 0.000 2.528 377 G HA2 -0.394 3.567 3.960 0.002 0.000 0.262 377 G HA3 -0.394 3.567 3.960 0.002 0.000 0.262 377 G C 1.056 175.960 174.900 0.007 0.000 1.200 377 G CA 1.119 46.226 45.100 0.012 0.000 0.951 377 G HN 1.122 nan 8.290 nan 0.000 0.566 378 S N 0.423 116.129 115.700 0.011 0.000 2.474 378 S HA 0.286 4.757 4.470 0.002 0.000 0.235 378 S C 2.508 177.112 174.600 0.007 0.000 0.997 378 S CA 1.608 59.813 58.200 0.008 0.000 0.949 378 S CB -0.376 62.832 63.200 0.013 0.000 0.766 378 S HN 2.171 nan 8.310 nan 0.000 0.517 379 A N 0.552 123.379 122.820 0.012 0.000 2.259 379 A HA 0.523 4.844 4.320 0.002 0.000 0.212 379 A C 1.652 179.244 177.584 0.013 0.000 1.178 379 A CA 1.021 53.071 52.037 0.022 0.000 0.734 379 A CB -0.738 18.280 19.000 0.031 0.000 0.774 379 A HN 1.115 nan 8.150 nan 0.000 0.481 380 A N -1.149 121.662 122.820 -0.014 0.000 2.610 380 A HA 0.501 4.823 4.320 0.002 0.000 0.290 380 A C 0.048 177.594 177.584 -0.064 0.000 1.001 380 A CA -0.164 51.842 52.037 -0.051 0.000 1.004 380 A CB 0.094 19.063 19.000 -0.051 0.000 1.220 380 A HN 0.411 nan 8.150 nan 0.000 0.507 381 Q N 0.541 120.314 119.800 -0.045 0.000 2.304 381 Q HA 0.501 4.842 4.340 0.002 0.000 0.270 381 Q C -1.211 174.769 176.000 -0.034 0.000 1.035 381 Q CA -0.511 55.269 55.803 -0.037 0.000 0.781 381 Q CB 2.426 31.155 28.738 -0.016 0.000 1.261 381 Q HN 0.148 nan 8.270 nan 0.000 0.444 382 V N 5.685 125.575 119.914 -0.039 0.000 2.539 382 V HA -0.138 3.983 4.120 0.002 0.000 0.300 382 V C 1.388 177.478 176.094 -0.007 0.000 1.019 382 V CA 0.602 62.886 62.300 -0.027 0.000 1.160 382 V CB 0.424 32.236 31.823 -0.017 0.000 0.901 382 V HN 0.854 nan 8.190 nan 0.000 0.481 383 K N 4.282 124.679 120.400 -0.004 0.000 2.107 383 K HA -0.283 4.038 4.320 0.002 0.000 0.211 383 K C 2.144 178.750 176.600 0.010 0.000 1.049 383 K CA 1.767 58.057 56.287 0.005 0.000 0.927 383 K CB -0.458 32.046 32.500 0.006 0.000 0.714 383 K HN 0.840 nan 8.250 nan 0.000 0.452 384 A N 1.504 124.330 122.820 0.009 0.000 1.883 384 A HA -0.184 4.137 4.320 0.002 0.000 0.217 384 A C 2.185 179.783 177.584 0.024 0.000 1.186 384 A CA 1.375 53.420 52.037 0.012 0.000 0.624 384 A CB -0.575 18.429 19.000 0.006 0.000 0.822 384 A HN 0.222 nan 8.150 nan 0.000 0.444 385 L N 0.128 121.364 121.223 0.022 0.000 2.083 385 L HA -0.145 4.196 4.340 0.002 0.000 0.209 385 L C 2.308 179.192 176.870 0.023 0.000 1.083 385 L CA 2.542 57.397 54.840 0.026 0.000 0.752 385 L CB -0.676 41.394 42.059 0.020 0.000 0.899 385 L HN 0.519 nan 8.230 nan 0.000 0.433 386 K N -0.940 119.471 120.400 0.018 0.000 2.032 386 K HA -0.247 4.074 4.320 0.002 0.000 0.209 386 K C 2.099 178.714 176.600 0.024 0.000 1.048 386 K CA 1.925 58.222 56.287 0.018 0.000 0.927 386 K CB -0.146 32.363 32.500 0.015 0.000 0.712 386 K HN 0.483 nan 8.250 nan 0.000 0.441 387 Q N 0.151 119.969 119.800 0.030 0.000 2.030 387 Q HA -0.152 4.189 4.340 0.002 0.000 0.204 387 Q C 2.133 178.164 176.000 0.052 0.000 0.986 387 Q CA 2.182 58.009 55.803 0.040 0.000 0.843 387 Q CB -0.089 28.676 28.738 0.045 0.000 0.904 387 Q HN 0.417 nan 8.270 nan 0.000 0.420 388 V N -2.542 117.413 119.914 0.069 0.000 2.809 388 V HA 0.100 4.221 4.120 0.002 0.000 0.256 388 V C 1.159 177.261 176.094 0.013 0.000 1.080 388 V CA 1.157 63.510 62.300 0.088 0.000 1.102 388 V CB -0.569 31.354 31.823 0.167 0.000 0.705 388 V HN 0.214 nan 8.190 nan 0.000 0.475 389 A N 1.062 123.887 122.820 0.008 0.000 3.215 389 A HA 0.690 5.011 4.320 0.002 0.000 0.269 389 A C 1.548 179.126 177.584 -0.009 0.000 1.517 389 A CA 0.339 52.366 52.037 -0.017 0.000 1.221 389 A CB -0.824 18.173 19.000 -0.005 0.000 1.160 389 A HN 0.553 nan 8.150 nan 0.000 0.620 390 G N 0.513 109.304 108.800 -0.015 0.000 2.981 390 G HA2 -0.158 3.803 3.960 0.002 0.000 0.199 390 G HA3 -0.158 3.803 3.960 0.002 0.000 0.199 390 G C 1.183 176.098 174.900 0.025 0.000 1.434 390 G CA 1.268 46.372 45.100 0.007 0.000 0.800 390 G HN 0.543 nan 8.290 nan 0.000 0.702 391 S N 0.374 116.101 115.700 0.044 0.000 2.526 391 S HA 0.235 4.706 4.470 0.002 0.000 0.247 391 S C 1.633 176.298 174.600 0.108 0.000 1.076 391 S CA -0.566 57.684 58.200 0.083 0.000 1.105 391 S CB 0.018 63.287 63.200 0.114 0.000 0.793 391 S HN 0.366 nan 8.310 nan 0.000 0.458 392 L N 2.431 123.674 121.223 0.033 0.000 2.010 392 L HA -0.163 4.179 4.340 0.002 0.000 0.219 392 L C 2.271 179.203 176.870 0.103 0.000 1.077 392 L CA 2.006 56.849 54.840 0.004 0.000 0.773 392 L CB -0.387 41.645 42.059 -0.045 0.000 0.892 392 L HN 0.267 nan 8.230 nan 0.000 0.436 393 K N -1.028 119.424 120.400 0.088 0.000 2.057 393 K HA -0.157 4.164 4.320 0.002 0.000 0.207 393 K C 2.177 178.850 176.600 0.122 0.000 1.049 393 K CA 1.660 58.005 56.287 0.098 0.000 0.931 393 K CB -0.194 32.348 32.500 0.070 0.000 0.714 393 K HN 0.373 nan 8.250 nan 0.000 0.440 394 L N -0.012 121.284 121.223 0.122 0.000 2.072 394 L HA -0.151 4.190 4.340 0.002 0.000 0.205 394 L C 2.372 179.331 176.870 0.149 0.000 1.079 394 L CA 0.766 55.672 54.840 0.110 0.000 0.752 394 L CB -0.419 41.691 42.059 0.085 0.000 0.906 394 L HN 0.160 nan 8.230 nan 0.000 0.436 395 F N 0.895 120.866 119.950 0.035 0.000 2.065 395 F HA -0.277 4.251 4.527 0.001 0.000 0.298 395 F C 2.208 178.058 175.800 0.083 0.000 1.112 395 F CA 1.661 59.686 58.000 0.042 0.000 1.212 395 F CB -0.396 38.614 39.000 0.017 0.000 0.975 395 F HN -0.121 nan 8.300 nan 0.000 0.476 396 L N -0.233 121.297 121.223 0.512 0.000 2.187 396 L HA -0.232 4.109 4.340 0.002 0.000 0.213 396 L C 2.683 179.704 176.870 0.251 0.000 1.100 396 L CA 1.045 56.142 54.840 0.428 0.000 0.765 396 L CB -1.002 41.236 42.059 0.297 0.000 0.904 396 L HN 0.329 nan 8.230 nan 0.000 0.437 397 A N -0.569 122.336 122.820 0.142 0.000 1.873 397 A HA -0.227 4.094 4.320 0.002 0.000 0.215 397 A C 2.174 179.757 177.584 -0.001 0.000 1.186 397 A CA 1.266 53.336 52.037 0.054 0.000 0.616 397 A CB -0.408 18.616 19.000 0.041 0.000 0.823 397 A HN 0.434 nan 8.150 nan 0.000 0.442 398 Q N -1.836 117.943 119.800 -0.036 0.000 2.181 398 Q HA -0.226 4.115 4.340 0.002 0.000 0.205 398 Q C 1.934 177.866 176.000 -0.113 0.000 0.980 398 Q CA 1.794 57.528 55.803 -0.115 0.000 0.862 398 Q CB -0.387 28.221 28.738 -0.217 0.000 0.905 398 Q HN 0.861 nan 8.270 nan 0.000 0.429 399 Y N 1.226 121.397 120.300 -0.214 0.000 2.145 399 Y HA -0.168 4.382 4.550 0.001 0.000 0.286 399 Y C 1.860 177.725 175.900 -0.058 0.000 1.145 399 Y CA 1.564 59.583 58.100 -0.134 0.000 1.148 399 Y CB -0.080 38.376 38.460 -0.007 0.000 0.981 399 Y HN -0.133 nan 8.280 nan 0.000 0.507 400 R N -0.057 120.242 120.500 -0.334 0.000 2.153 400 R HA -0.106 4.235 4.340 0.002 0.000 0.218 400 R C 2.131 178.305 176.300 -0.210 0.000 1.072 400 R CA 1.052 56.914 56.100 -0.396 0.000 0.990 400 R CB -0.225 29.926 30.300 -0.249 0.000 0.889 400 R HN 0.387 nan 8.270 nan 0.000 0.452 401 E N 0.712 120.834 120.200 -0.129 0.000 2.160 401 E HA -0.162 4.189 4.350 0.002 0.000 0.195 401 E C 1.496 178.050 176.600 -0.077 0.000 0.991 401 E CA 1.378 57.729 56.400 -0.081 0.000 0.810 401 E CB 0.060 29.724 29.700 -0.060 0.000 0.742 401 E HN 0.062 nan 8.360 nan 0.000 0.466 402 V N 0.173 120.025 119.914 -0.103 0.000 2.575 402 V HA 0.089 4.211 4.120 0.002 0.000 0.242 402 V C 2.163 178.195 176.094 -0.103 0.000 1.045 402 V CA 1.107 63.361 62.300 -0.077 0.000 1.065 402 V CB -0.338 31.456 31.823 -0.048 0.000 0.717 402 V HN 0.434 nan 8.190 nan 0.000 0.467 403 A N -0.020 122.680 122.820 -0.200 0.000 2.234 403 A HA 0.014 4.335 4.320 0.002 0.000 0.216 403 A C 2.153 179.657 177.584 -0.134 0.000 1.167 403 A CA 1.746 53.655 52.037 -0.213 0.000 0.698 403 A CB -0.409 18.322 19.000 -0.447 0.000 0.779 403 A HN 0.553 nan 8.150 nan 0.000 0.475 404 A N -1.552 121.209 122.820 -0.098 0.000 1.956 404 A HA 0.169 4.490 4.320 0.002 0.000 0.212 404 A C 2.265 179.870 177.584 0.035 0.000 1.188 404 A CA 1.293 53.312 52.037 -0.031 0.000 0.675 404 A CB -0.415 18.569 19.000 -0.026 0.000 0.845 404 A HN 0.367 nan 8.150 nan 0.000 0.455 405 S N -0.116 115.598 115.700 0.024 0.000 2.481 405 S HA 0.121 4.592 4.470 0.002 0.000 0.231 405 S C 1.993 176.464 174.600 -0.214 0.000 0.996 405 S CA 0.769 59.010 58.200 0.068 0.000 0.942 405 S CB -0.157 63.081 63.200 0.063 0.000 0.768 405 S HN 0.705 nan 8.310 nan 0.000 0.520 406 A N 0.838 123.555 122.820 -0.172 0.000 2.119 406 A HA -0.026 4.295 4.320 0.002 0.000 0.217 406 A C 2.070 179.518 177.584 -0.227 0.000 1.153 406 A CA 0.656 52.561 52.037 -0.221 0.000 0.692 406 A CB -0.235 18.694 19.000 -0.117 0.000 0.799 406 A HN 0.310 nan 8.150 nan 0.000 0.458 407 Q N -0.211 119.513 119.800 -0.128 0.000 2.050 407 Q HA -0.168 4.173 4.340 0.002 0.000 0.202 407 Q C 1.492 177.489 176.000 -0.005 0.000 0.980 407 Q CA 1.650 57.435 55.803 -0.029 0.000 0.840 407 Q CB -0.686 28.086 28.738 0.058 0.000 0.898 407 Q HN 0.933 nan 8.270 nan 0.000 0.424 408 F N -0.397 119.545 119.950 -0.014 0.000 2.703 408 F HA 0.476 5.004 4.527 0.001 0.000 0.299 408 F C 0.829 176.624 175.800 -0.009 0.000 1.229 408 F CA 0.117 58.111 58.000 -0.011 0.000 1.430 408 F CB -0.680 38.312 39.000 -0.012 0.000 1.053 408 F HN 0.064 nan 8.300 nan 0.000 0.513 409 G N 1.388 110.057 108.800 -0.217 0.000 2.370 409 G HA2 -0.227 3.734 3.960 0.002 0.000 0.295 409 G HA3 -0.227 3.734 3.960 0.002 0.000 0.295 409 G C 0.076 174.810 174.900 -0.276 0.000 1.045 409 G CA 0.343 45.336 45.100 -0.178 0.000 1.199 409 G HN 0.785 nan 8.290 nan 0.000 0.513 410 S N -0.154 115.277 115.700 -0.448 0.000 2.686 410 S HA 0.662 5.133 4.470 0.002 0.000 0.270 410 S C -0.044 174.442 174.600 -0.190 0.000 1.194 410 S CA 0.107 58.061 58.200 -0.410 0.000 0.990 410 S CB 0.939 63.801 63.200 -0.564 0.000 1.029 410 S HN 0.950 nan 8.310 nan 0.000 0.560 411 D N 1.781 122.107 120.400 -0.124 0.000 2.686 411 D HA 0.302 4.943 4.640 0.002 0.000 0.249 411 D C -0.930 175.336 176.300 -0.057 0.000 1.260 411 D CA -0.460 53.495 54.000 -0.075 0.000 0.910 411 D CB 0.512 41.285 40.800 -0.046 0.000 1.323 411 D HN 0.390 nan 8.370 nan 0.000 0.561 412 L N 1.737 122.928 121.223 -0.053 0.000 2.360 412 L HA 0.316 4.657 4.340 0.002 0.000 0.271 412 L C 0.668 177.522 176.870 -0.026 0.000 1.057 412 L CA -1.060 53.756 54.840 -0.040 0.000 0.803 412 L CB 1.147 43.180 42.059 -0.043 0.000 1.207 412 L HN 0.452 nan 8.230 nan 0.000 0.445 413 D N 1.032 121.421 120.400 -0.019 0.000 2.398 413 D HA 0.155 4.796 4.640 0.002 0.000 0.247 413 D C 0.950 177.241 176.300 -0.015 0.000 1.227 413 D CA -0.196 53.795 54.000 -0.014 0.000 0.980 413 D CB 0.782 41.576 40.800 -0.010 0.000 1.106 413 D HN 0.547 nan 8.370 nan 0.000 0.493 414 A N 0.670 123.483 122.820 -0.012 0.000 1.927 414 A HA -0.232 4.089 4.320 0.002 0.000 0.220 414 A C 2.184 179.761 177.584 -0.011 0.000 1.185 414 A CA 2.324 54.354 52.037 -0.012 0.000 0.639 414 A CB -1.016 17.978 19.000 -0.010 0.000 0.820 414 A HN 0.529 nan 8.150 nan 0.000 0.451 415 S N -0.566 115.127 115.700 -0.011 0.000 2.368 415 S HA -0.135 4.337 4.470 0.002 0.000 0.224 415 S C 2.199 176.788 174.600 -0.018 0.000 1.029 415 S CA 1.883 60.076 58.200 -0.012 0.000 0.988 415 S CB -0.657 62.534 63.200 -0.014 0.000 0.838 415 S HN 0.907 nan 8.310 nan 0.000 0.462 416 T N 2.170 116.711 114.554 -0.021 0.000 2.851 416 T HA -0.053 4.298 4.350 0.002 0.000 0.262 416 T C 1.737 176.429 174.700 -0.014 0.000 1.043 416 T CA 1.179 63.264 62.100 -0.025 0.000 1.140 416 T CB -0.433 68.418 68.868 -0.027 0.000 0.872 416 T HN 0.625 nan 8.240 nan 0.000 0.446 417 K N 1.209 121.601 120.400 -0.014 0.000 2.147 417 K HA -0.124 4.197 4.320 0.002 0.000 0.205 417 K C 2.465 179.064 176.600 -0.002 0.000 1.049 417 K CA 1.410 57.691 56.287 -0.010 0.000 0.936 417 K CB -0.262 32.228 32.500 -0.016 0.000 0.722 417 K HN 0.396 nan 8.250 nan 0.000 0.446 418 Q N 1.606 121.404 119.800 -0.002 0.000 2.020 418 Q HA -0.124 4.217 4.340 0.002 0.000 0.198 418 Q C 2.088 178.102 176.000 0.024 0.000 0.974 418 Q CA 2.662 58.467 55.803 0.003 0.000 0.829 418 Q CB -0.440 28.300 28.738 0.002 0.000 0.894 418 Q HN 0.544 nan 8.270 nan 0.000 0.433 419 T N -0.550 114.019 114.554 0.024 0.000 2.881 419 T HA -0.171 4.181 4.350 0.002 0.000 0.270 419 T C 1.701 176.431 174.700 0.050 0.000 1.068 419 T CA 1.181 63.303 62.100 0.038 0.000 1.131 419 T CB -0.437 68.361 68.868 -0.118 0.000 0.871 419 T HN 0.306 nan 8.240 nan 0.000 0.479 420 L N 1.042 122.299 121.223 0.058 0.000 2.083 420 L HA 0.109 4.450 4.340 0.002 0.000 0.209 420 L C 2.497 179.395 176.870 0.048 0.000 1.083 420 L CA 1.266 56.183 54.840 0.129 0.000 0.752 420 L CB -0.693 41.425 42.059 0.098 0.000 0.899 420 L HN 0.150 nan 8.230 nan 0.000 0.433 421 V N -0.146 119.773 119.914 0.009 0.000 2.379 421 V HA -0.205 3.917 4.120 0.002 0.000 0.245 421 V C 2.802 178.853 176.094 -0.072 0.000 1.044 421 V CA 1.899 64.181 62.300 -0.029 0.000 1.036 421 V CB -0.556 31.251 31.823 -0.027 0.000 0.664 421 V HN 0.502 nan 8.190 nan 0.000 0.453 422 R N 0.073 120.557 120.500 -0.028 0.000 2.080 422 R HA -0.162 4.179 4.340 0.002 0.000 0.236 422 R C 2.350 178.570 176.300 -0.132 0.000 1.137 422 R CA 1.954 58.034 56.100 -0.034 0.000 0.943 422 R CB -0.861 29.515 30.300 0.127 0.000 0.846 422 R HN 0.546 nan 8.270 nan 0.000 0.431 423 G N 0.142 108.854 108.800 -0.147 0.000 2.422 423 G HA2 -0.307 3.654 3.960 0.002 0.000 0.218 423 G HA3 -0.307 3.654 3.960 0.002 0.000 0.218 423 G C 1.243 175.616 174.900 -0.878 0.000 1.146 423 G CA 0.792 45.549 45.100 -0.572 0.000 0.769 423 G HN 0.484 nan 8.290 nan 0.000 0.547 424 E N -0.030 119.755 120.200 -0.693 0.000 2.160 424 E HA -0.114 4.237 4.350 0.002 0.000 0.195 424 E C 2.634 179.125 176.600 -0.182 0.000 0.991 424 E CA 0.682 56.907 56.400 -0.292 0.000 0.810 424 E CB 0.004 29.654 29.700 -0.082 0.000 0.742 424 E HN 0.397 nan 8.360 nan 0.000 0.466 425 R N -0.421 119.961 120.500 -0.198 0.000 2.112 425 R HA 0.065 4.407 4.340 0.002 0.000 0.216 425 R C 2.467 178.663 176.300 -0.174 0.000 1.080 425 R CA 0.389 56.390 56.100 -0.165 0.000 0.996 425 R CB -0.020 30.177 30.300 -0.171 0.000 0.902 425 R HN 0.179 nan 8.270 nan 0.000 0.449 426 L N 0.177 121.272 121.223 -0.214 0.000 2.012 426 L HA -0.207 4.134 4.340 0.002 0.000 0.210 426 L C 2.178 178.975 176.870 -0.122 0.000 1.073 426 L CA 1.563 56.286 54.840 -0.195 0.000 0.748 426 L CB -0.660 41.246 42.059 -0.255 0.000 0.891 426 L HN 0.255 nan 8.230 nan 0.000 0.431 427 T N -1.369 113.118 114.554 -0.111 0.000 2.665 427 T HA -0.318 4.033 4.350 0.002 0.000 0.268 427 T C 1.789 176.472 174.700 -0.028 0.000 1.035 427 T CA 1.682 63.768 62.100 -0.023 0.000 1.151 427 T CB -0.270 68.625 68.868 0.045 0.000 0.862 427 T HN 0.206 nan 8.240 nan 0.000 0.438 428 Q N 0.619 120.389 119.800 -0.051 0.000 2.181 428 Q HA -0.020 4.321 4.340 0.002 0.000 0.205 428 Q C 1.971 177.949 176.000 -0.038 0.000 0.980 428 Q CA 1.144 56.923 55.803 -0.041 0.000 0.862 428 Q CB -0.663 28.043 28.738 -0.053 0.000 0.905 428 Q HN 0.462 nan 8.270 nan 0.000 0.429 429 L N -0.655 120.535 121.223 -0.055 0.000 2.395 429 L HA 0.076 4.417 4.340 0.002 0.000 0.218 429 L C 1.464 178.324 176.870 -0.017 0.000 1.130 429 L CA 0.979 55.797 54.840 -0.037 0.000 0.826 429 L CB 0.023 42.041 42.059 -0.067 0.000 0.941 429 L HN 0.295 nan 8.230 nan 0.000 0.451 430 L N -0.961 120.249 121.223 -0.021 0.000 2.509 430 L HA 0.017 4.358 4.340 0.002 0.000 0.222 430 L C 0.878 177.742 176.870 -0.010 0.000 1.123 430 L CA 0.017 54.852 54.840 -0.009 0.000 0.856 430 L CB -0.335 41.722 42.059 -0.003 0.000 0.985 430 L HN 0.114 nan 8.230 nan 0.000 0.456 431 K N 1.430 121.820 120.400 -0.016 0.000 2.414 431 K HA 0.133 4.454 4.320 0.002 0.000 0.272 431 K C -0.111 176.478 176.600 -0.018 0.000 0.993 431 K CA 0.404 56.674 56.287 -0.028 0.000 0.964 431 K CB 0.615 33.096 32.500 -0.032 0.000 0.925 431 K HN 0.018 nan 8.250 nan 0.000 0.487 432 Q N 1.842 121.624 119.800 -0.031 0.000 2.403 432 Q HA 0.144 4.485 4.340 0.002 0.000 0.267 432 Q C -1.463 174.517 176.000 -0.034 0.000 0.991 432 Q CA -0.759 55.032 55.803 -0.019 0.000 0.906 432 Q CB 1.439 30.168 28.738 -0.014 0.000 1.422 432 Q HN 0.505 nan 8.270 nan 0.000 0.400 433 N N 2.149 120.840 118.700 -0.015 0.000 2.482 433 N HA 0.057 4.798 4.740 0.002 0.000 0.260 433 N C -0.598 174.884 175.510 -0.046 0.000 1.236 433 N CA -0.018 53.023 53.050 -0.014 0.000 0.938 433 N CB 0.773 39.276 38.487 0.027 0.000 1.128 433 N HN 0.558 nan 8.380 nan 0.000 0.448 434 Q N 0.417 120.160 119.800 -0.095 0.000 2.417 434 Q HA 0.003 4.344 4.340 0.002 0.000 0.241 434 Q C -0.324 175.559 176.000 -0.194 0.000 1.008 434 Q CA -0.168 55.458 55.803 -0.295 0.000 0.901 434 Q CB 0.236 28.654 28.738 -0.533 0.000 1.259 434 Q HN 0.601 nan 8.270 nan 0.000 0.489 435 Y N -0.327 119.955 120.300 -0.030 0.000 4.236 435 Y HA -0.267 4.284 4.550 0.002 0.000 0.220 435 Y C -0.012 175.898 175.900 0.017 0.000 1.115 435 Y CA 0.852 58.921 58.100 -0.050 0.000 1.811 435 Y CB -2.187 36.265 38.460 -0.014 0.000 1.581 435 Y HN 0.345 nan 8.280 nan 0.000 0.643 436 S N 0.562 116.315 115.700 0.089 0.000 2.272 436 S HA 0.269 4.740 4.470 0.002 0.000 0.207 436 S C -2.126 172.496 174.600 0.037 0.000 1.336 436 S CA -0.859 57.385 58.200 0.073 0.000 1.259 436 S CB 0.983 64.220 63.200 0.062 0.000 1.130 436 S HN 0.164 nan 8.310 nan 0.000 0.444 437 P HA 0.421 nan 4.420 nan 0.000 0.276 437 P C -0.760 176.552 177.300 0.020 0.000 1.244 437 P CA -0.479 62.634 63.100 0.022 0.000 0.801 437 P CB 1.015 32.730 31.700 0.024 0.000 1.006 438 L N 0.406 121.643 121.223 0.023 0.000 2.354 438 L HA 0.687 5.028 4.340 0.002 0.000 0.264 438 L C 0.440 177.325 176.870 0.025 0.000 1.008 438 L CA -1.324 53.526 54.840 0.016 0.000 0.819 438 L CB 1.933 44.006 42.059 0.024 0.000 1.339 438 L HN 0.362 nan 8.230 nan 0.000 0.420 439 A N 0.448 123.270 122.820 0.003 0.000 2.322 439 A HA 0.409 4.730 4.320 0.002 0.000 0.269 439 A C 1.065 178.676 177.584 0.044 0.000 1.094 439 A CA -0.203 51.845 52.037 0.017 0.000 0.807 439 A CB 0.575 19.549 19.000 -0.044 0.000 1.047 439 A HN 0.864 nan 8.150 nan 0.000 0.487 440 T N 0.994 115.597 114.554 0.081 0.000 2.737 440 T HA -0.181 4.170 4.350 0.002 0.000 0.269 440 T C 1.690 176.411 174.700 0.035 0.000 1.040 440 T CA 1.884 64.022 62.100 0.062 0.000 1.142 440 T CB -0.201 68.710 68.868 0.072 0.000 0.861 440 T HN 0.883 nan 8.240 nan 0.000 0.456 441 E N 1.674 121.886 120.200 0.020 0.000 2.338 441 E HA -0.156 4.195 4.350 0.002 0.000 0.197 441 E C 1.491 178.081 176.600 -0.017 0.000 1.007 441 E CA 1.078 57.474 56.400 -0.007 0.000 0.849 441 E CB -0.189 29.497 29.700 -0.024 0.000 0.774 441 E HN 0.596 nan 8.360 nan 0.000 0.506 442 E N 0.516 120.712 120.200 -0.007 0.000 2.140 442 E HA -0.018 4.333 4.350 0.002 0.000 0.191 442 E C 2.213 178.839 176.600 0.043 0.000 0.973 442 E CA 0.295 56.694 56.400 -0.001 0.000 0.829 442 E CB 0.120 29.814 29.700 -0.011 0.000 0.781 442 E HN 0.313 nan 8.360 nan 0.000 0.466 443 Q N 0.452 120.279 119.800 0.044 0.000 2.046 443 Q HA -0.127 4.214 4.340 0.002 0.000 0.200 443 Q C 2.391 178.435 176.000 0.072 0.000 0.975 443 Q CA 1.201 57.038 55.803 0.057 0.000 0.836 443 Q CB -0.009 28.756 28.738 0.046 0.000 0.896 443 Q HN 0.136 nan 8.270 nan 0.000 0.428 444 V N 1.508 121.460 119.914 0.062 0.000 2.252 444 V HA -0.227 3.894 4.120 0.002 0.000 0.249 444 V C -0.863 175.306 176.094 0.126 0.000 1.056 444 V CA 2.190 64.533 62.300 0.072 0.000 1.022 444 V CB -1.441 30.404 31.823 0.037 0.000 0.641 444 V HN 0.283 nan 8.190 nan 0.000 0.445 445 P HA -0.121 nan 4.420 nan 0.000 0.217 445 P C 1.909 179.406 177.300 0.330 0.000 1.150 445 P CA 1.386 64.649 63.100 0.271 0.000 0.832 445 P CB -0.043 31.841 31.700 0.306 0.000 0.787 446 L N -1.043 120.335 121.223 0.259 0.000 1.976 446 L HA -0.164 4.177 4.340 0.002 0.000 0.209 446 L C 2.366 179.282 176.870 0.078 0.000 1.071 446 L CA 1.417 56.365 54.840 0.180 0.000 0.746 446 L CB -1.026 41.126 42.059 0.155 0.000 0.890 446 L HN -0.069 nan 8.230 nan 0.000 0.432 447 I N -0.977 119.634 120.570 0.068 0.000 2.286 447 I HA -0.329 3.843 4.170 0.002 0.000 0.248 447 I C 2.527 178.638 176.117 -0.010 0.000 1.115 447 I CA 1.665 62.969 61.300 0.007 0.000 1.392 447 I CB -1.079 36.930 38.000 0.015 0.000 1.065 447 I HN 0.293 nan 8.210 nan 0.000 0.418 448 Y N 2.190 122.462 120.300 -0.047 0.000 2.114 448 Y HA -0.220 4.332 4.550 0.002 0.000 0.284 448 Y C 2.695 178.505 175.900 -0.150 0.000 1.143 448 Y CA 2.029 60.080 58.100 -0.080 0.000 1.135 448 Y CB -0.291 38.139 38.460 -0.050 0.000 0.980 448 Y HN 0.099 nan 8.280 nan 0.000 0.499 449 A N 0.205 122.984 122.820 -0.067 0.000 1.908 449 A HA -0.117 4.204 4.320 0.002 0.000 0.218 449 A C 2.443 179.878 177.584 -0.249 0.000 1.181 449 A CA 1.824 53.729 52.037 -0.219 0.000 0.627 449 A CB -1.751 17.155 19.000 -0.156 0.000 0.818 449 A HN 0.626 nan 8.150 nan 0.000 0.445 450 G N -0.435 108.236 108.800 -0.215 0.000 2.552 450 G HA2 -0.153 3.808 3.960 0.002 0.000 0.216 450 G HA3 -0.153 3.808 3.960 0.002 0.000 0.216 450 G C 1.512 176.250 174.900 -0.269 0.000 1.240 450 G CA 1.451 46.411 45.100 -0.233 0.000 0.796 450 G HN 0.349 nan 8.290 nan 0.000 0.568 451 V N 1.760 121.493 119.914 -0.301 0.000 2.407 451 V HA -0.194 3.928 4.120 0.002 0.000 0.248 451 V C 2.583 178.505 176.094 -0.287 0.000 1.055 451 V CA 1.844 63.933 62.300 -0.351 0.000 1.049 451 V CB -0.492 31.145 31.823 -0.310 0.000 0.662 451 V HN 0.352 nan 8.190 nan 0.000 0.455 452 N N 0.243 118.765 118.700 -0.297 0.000 2.331 452 N HA -0.013 4.728 4.740 0.002 0.000 0.180 452 N C 1.597 177.097 175.510 -0.016 0.000 1.019 452 N CA 1.412 54.349 53.050 -0.188 0.000 0.881 452 N CB 0.308 38.575 38.487 -0.366 0.000 0.972 452 N HN 0.621 nan 8.380 nan 0.000 0.435 453 G N 0.023 108.820 108.800 -0.005 0.000 2.148 453 G HA2 -0.173 3.788 3.960 0.002 0.000 0.157 453 G HA3 -0.173 3.788 3.960 0.002 0.000 0.157 453 G C -0.188 174.684 174.900 -0.046 0.000 1.012 453 G CA -0.314 44.761 45.100 -0.042 0.000 0.677 453 G HN 0.385 nan 8.290 nan 0.000 0.506 454 H N -0.087 118.881 119.070 -0.170 0.000 2.572 454 H HA 0.500 5.057 4.556 0.002 0.000 0.278 454 H C 2.014 177.216 175.328 -0.209 0.000 1.050 454 H CA 0.657 56.624 56.048 -0.134 0.000 1.168 454 H CB 0.095 29.809 29.762 -0.081 0.000 1.316 454 H HN 0.453 nan 8.280 nan 0.000 0.610 455 L N -1.441 119.688 121.223 -0.156 0.000 3.128 455 L HA 0.112 4.453 4.340 0.002 0.000 0.277 455 L C 0.950 177.698 176.870 -0.203 0.000 1.171 455 L CA 0.101 54.772 54.840 -0.283 0.000 1.008 455 L CB 0.724 42.553 42.059 -0.383 0.000 1.442 455 L HN 0.038 nan 8.230 nan 0.000 0.584 456 D N 1.254 121.566 120.400 -0.148 0.000 2.104 456 D HA -0.133 4.508 4.640 0.002 0.000 0.194 456 D C 1.810 178.050 176.300 -0.100 0.000 0.994 456 D CA 1.646 55.578 54.000 -0.114 0.000 0.830 456 D CB -0.048 40.698 40.800 -0.090 0.000 0.959 456 D HN 0.260 nan 8.370 nan 0.000 0.452 457 G N -0.279 108.462 108.800 -0.099 0.000 3.530 457 G HA2 0.335 4.296 3.960 0.002 0.000 0.269 457 G HA3 0.335 4.296 3.960 0.002 0.000 0.269 457 G C -0.029 174.823 174.900 -0.080 0.000 1.314 457 G CA -0.168 44.885 45.100 -0.080 0.000 1.441 457 G HN 0.150 nan 8.290 nan 0.000 0.595 458 I N -0.355 120.158 120.570 -0.096 0.000 2.545 458 I HA 0.215 4.386 4.170 0.002 0.000 0.292 458 I C 0.042 176.113 176.117 -0.076 0.000 1.040 458 I CA -0.859 60.388 61.300 -0.089 0.000 1.068 458 I CB 2.722 40.640 38.000 -0.136 0.000 1.251 458 I HN 0.040 nan 8.210 nan 0.000 0.424 459 E N 4.218 124.389 120.200 -0.049 0.000 2.465 459 E HA -0.062 4.290 4.350 0.002 0.000 0.260 459 E C 0.716 177.292 176.600 -0.039 0.000 0.980 459 E CA -0.139 56.239 56.400 -0.037 0.000 0.927 459 E CB 0.964 30.651 29.700 -0.021 0.000 0.934 459 E HN 0.487 nan 8.360 nan 0.000 0.459 460 L N 4.589 125.790 121.223 -0.038 0.000 2.042 460 L HA -0.231 4.110 4.340 0.002 0.000 0.210 460 L C 2.176 179.030 176.870 -0.026 0.000 1.076 460 L CA 2.538 57.353 54.840 -0.041 0.000 0.749 460 L CB -0.660 41.380 42.059 -0.031 0.000 0.893 460 L HN 0.646 nan 8.230 nan 0.000 0.432 461 S N -1.571 114.123 115.700 -0.011 0.000 2.595 461 S HA -0.071 4.400 4.470 0.002 0.000 0.235 461 S C 1.718 176.327 174.600 0.016 0.000 0.974 461 S CA 0.496 58.698 58.200 0.003 0.000 0.942 461 S CB -0.501 62.703 63.200 0.006 0.000 0.766 461 S HN 0.554 nan 8.310 nan 0.000 0.536 462 R N -0.208 120.302 120.500 0.017 0.000 2.508 462 R HA 0.410 4.751 4.340 0.002 0.000 0.300 462 R C 0.830 177.183 176.300 0.089 0.000 0.970 462 R CA -0.221 55.911 56.100 0.052 0.000 1.102 462 R CB 0.173 30.504 30.300 0.053 0.000 1.246 462 R HN 0.340 nan 8.270 nan 0.000 0.539 463 I N 0.102 120.695 120.570 0.038 0.000 2.493 463 I HA -0.097 4.074 4.170 0.002 0.000 0.254 463 I C 2.146 178.345 176.117 0.137 0.000 1.160 463 I CA 1.379 62.701 61.300 0.037 0.000 1.445 463 I CB -1.000 36.965 38.000 -0.059 0.000 1.086 463 I HN 0.242 nan 8.210 nan 0.000 0.433 464 G N 1.865 110.726 108.800 0.102 0.000 2.404 464 G HA2 -0.249 3.712 3.960 0.002 0.000 0.215 464 G HA3 -0.249 3.712 3.960 0.002 0.000 0.215 464 G C 1.458 176.440 174.900 0.137 0.000 1.174 464 G CA 0.833 45.995 45.100 0.103 0.000 0.780 464 G HN 0.609 nan 8.290 nan 0.000 0.537 465 E N -0.644 119.642 120.200 0.143 0.000 2.274 465 E HA 0.014 4.365 4.350 0.002 0.000 0.194 465 E C 1.998 178.725 176.600 0.212 0.000 0.996 465 E CA 0.321 56.808 56.400 0.146 0.000 0.840 465 E CB -0.404 29.366 29.700 0.117 0.000 0.772 465 E HN 0.393 nan 8.360 nan 0.000 0.491 466 F N 2.341 122.362 119.950 0.118 0.000 2.075 466 F HA -0.137 4.391 4.527 0.002 0.000 0.297 466 F C 2.301 178.210 175.800 0.182 0.000 1.113 466 F CA 2.067 60.178 58.000 0.186 0.000 1.218 466 F CB -0.183 38.884 39.000 0.111 0.000 0.984 466 F HN 0.036 nan 8.300 nan 0.000 0.472 467 E N 0.033 120.451 120.200 0.363 0.000 2.086 467 E HA -0.273 4.078 4.350 0.002 0.000 0.200 467 E C 2.105 178.768 176.600 0.106 0.000 1.012 467 E CA 2.141 58.689 56.400 0.246 0.000 0.812 467 E CB -0.233 29.589 29.700 0.202 0.000 0.743 467 E HN 0.575 nan 8.360 nan 0.000 0.453 468 S N -0.551 115.197 115.700 0.081 0.000 2.406 468 S HA 0.018 4.489 4.470 0.002 0.000 0.224 468 S C 2.225 176.828 174.600 0.005 0.000 1.030 468 S CA 0.673 58.895 58.200 0.037 0.000 0.958 468 S CB 0.039 63.266 63.200 0.045 0.000 0.811 468 S HN 0.084 nan 8.310 nan 0.000 0.489 469 S N 1.601 117.325 115.700 0.040 0.000 2.365 469 S HA -0.054 4.417 4.470 0.002 0.000 0.225 469 S C 1.413 175.937 174.600 -0.127 0.000 1.039 469 S CA 1.609 59.858 58.200 0.082 0.000 1.033 469 S CB -0.599 62.770 63.200 0.281 0.000 0.887 469 S HN 0.572 nan 8.310 nan 0.000 0.447 470 F N 1.986 121.551 119.950 -0.642 0.000 2.102 470 F HA -0.009 4.519 4.527 0.002 0.000 0.298 470 F C 1.806 177.304 175.800 -0.504 0.000 1.105 470 F CA 1.230 58.540 58.000 -1.150 0.000 1.239 470 F CB -0.421 37.785 39.000 -1.324 0.000 0.991 470 F HN 0.100 nan 8.300 nan 0.000 0.474 471 L N -0.753 120.260 121.223 -0.350 0.000 2.141 471 L HA -0.199 4.142 4.340 0.002 0.000 0.209 471 L C 2.459 179.168 176.870 -0.268 0.000 1.094 471 L CA 1.210 55.861 54.840 -0.316 0.000 0.763 471 L CB -0.776 41.211 42.059 -0.120 0.000 0.908 471 L HN 0.094 nan 8.230 nan 0.000 0.437 472 S N -1.116 114.472 115.700 -0.186 0.000 2.371 472 S HA -0.196 4.275 4.470 0.002 0.000 0.224 472 S C 1.835 176.358 174.600 -0.129 0.000 1.029 472 S CA 0.932 59.060 58.200 -0.119 0.000 0.978 472 S CB -0.339 62.837 63.200 -0.040 0.000 0.833 472 S HN 0.441 nan 8.310 nan 0.000 0.466 473 Y N 2.626 122.750 120.300 -0.293 0.000 2.128 473 Y HA -0.103 4.448 4.550 0.002 0.000 0.284 473 Y C 1.793 177.537 175.900 -0.260 0.000 1.154 473 Y CA 1.370 59.324 58.100 -0.242 0.000 1.149 473 Y CB -0.598 37.654 38.460 -0.346 0.000 0.976 473 Y HN 0.136 nan 8.280 nan 0.000 0.505 474 L N 0.106 120.923 121.223 -0.678 0.000 2.201 474 L HA -0.184 4.157 4.340 0.002 0.000 0.212 474 L C 2.363 178.992 176.870 -0.401 0.000 1.105 474 L CA 1.415 55.865 54.840 -0.650 0.000 0.775 474 L CB -0.508 41.143 42.059 -0.679 0.000 0.913 474 L HN 0.209 nan 8.230 nan 0.000 0.440 475 K N -0.645 119.567 120.400 -0.314 0.000 2.217 475 K HA -0.048 4.274 4.320 0.002 0.000 0.202 475 K C 2.127 178.615 176.600 -0.187 0.000 1.051 475 K CA 1.111 57.271 56.287 -0.211 0.000 0.952 475 K CB 0.188 32.592 32.500 -0.161 0.000 0.736 475 K HN 0.209 nan 8.250 nan 0.000 0.453 476 S N 0.363 115.940 115.700 -0.205 0.000 2.444 476 S HA 0.036 4.507 4.470 0.002 0.000 0.223 476 S C 1.399 175.868 174.600 -0.217 0.000 1.054 476 S CA 0.533 58.637 58.200 -0.160 0.000 0.947 476 S CB -0.112 63.034 63.200 -0.090 0.000 0.850 476 S HN 0.230 nan 8.310 nan 0.000 0.527 477 N N 1.033 119.528 118.700 -0.342 0.000 2.187 477 N HA 0.043 4.784 4.740 0.002 0.000 0.190 477 N C 0.527 175.723 175.510 -0.523 0.000 1.052 477 N CA 0.956 53.740 53.050 -0.443 0.000 0.863 477 N CB -0.124 38.046 38.487 -0.529 0.000 1.041 477 N HN 0.356 nan 8.380 nan 0.000 0.447 478 H N 0.353 119.152 119.070 -0.451 0.000 2.638 478 H HA 0.174 4.731 4.556 0.002 0.000 0.293 478 H C 0.301 175.469 175.328 -0.266 0.000 1.316 478 H CA -0.152 55.711 56.048 -0.308 0.000 1.099 478 H CB -0.400 29.183 29.762 -0.297 0.000 1.515 478 H HN 0.403 nan 8.280 nan 0.000 0.505 479 N N 0.934 119.529 118.700 -0.176 0.000 2.244 479 N HA -0.127 4.614 4.740 0.002 0.000 0.183 479 N C 1.459 176.903 175.510 -0.110 0.000 1.016 479 N CA 0.346 53.305 53.050 -0.151 0.000 0.866 479 N CB 0.401 38.800 38.487 -0.145 0.000 0.980 479 N HN 0.383 nan 8.380 nan 0.000 0.430 480 E N 0.715 120.858 120.200 -0.095 0.000 2.130 480 E HA -0.203 4.148 4.350 0.002 0.000 0.196 480 E C 1.966 178.529 176.600 -0.061 0.000 0.998 480 E CA 0.628 56.986 56.400 -0.071 0.000 0.806 480 E CB -0.040 29.623 29.700 -0.062 0.000 0.738 480 E HN 0.439 nan 8.360 nan 0.000 0.459 481 L N 0.580 121.767 121.223 -0.061 0.000 1.970 481 L HA -0.199 4.142 4.340 0.002 0.000 0.212 481 L C 2.600 179.424 176.870 -0.076 0.000 1.071 481 L CA 1.500 56.300 54.840 -0.066 0.000 0.751 481 L CB -1.302 40.712 42.059 -0.074 0.000 0.889 481 L HN 0.201 nan 8.230 nan 0.000 0.432 482 L N -0.965 120.201 121.223 -0.094 0.000 2.042 482 L HA -0.211 4.130 4.340 0.002 0.000 0.210 482 L C 2.503 179.332 176.870 -0.069 0.000 1.076 482 L CA 1.582 56.368 54.840 -0.090 0.000 0.749 482 L CB -1.373 40.616 42.059 -0.116 0.000 0.893 482 L HN 0.284 nan 8.230 nan 0.000 0.432 483 T N -0.892 113.620 114.554 -0.069 0.000 2.699 483 T HA -0.182 4.170 4.350 0.002 0.000 0.268 483 T C 1.796 176.472 174.700 -0.040 0.000 1.036 483 T CA 1.348 63.415 62.100 -0.055 0.000 1.147 483 T CB -0.220 68.615 68.868 -0.055 0.000 0.862 483 T HN 0.310 nan 8.240 nan 0.000 0.446 484 E N 0.876 121.051 120.200 -0.041 0.000 2.051 484 E HA -0.046 4.306 4.350 0.002 0.000 0.192 484 E C 2.314 178.899 176.600 -0.025 0.000 0.991 484 E CA 0.889 57.270 56.400 -0.032 0.000 0.799 484 E CB -0.417 29.262 29.700 -0.035 0.000 0.748 484 E HN 0.535 nan 8.360 nan 0.000 0.449 485 I N 0.705 121.257 120.570 -0.030 0.000 2.226 485 I HA -0.260 3.912 4.170 0.002 0.000 0.245 485 I C 2.806 178.922 176.117 -0.002 0.000 1.100 485 I CA 1.050 62.338 61.300 -0.020 0.000 1.374 485 I CB -0.281 37.703 38.000 -0.028 0.000 1.057 485 I HN 0.016 nan 8.210 nan 0.000 0.413 486 R N 1.066 121.563 120.500 -0.004 0.000 2.083 486 R HA -0.228 4.113 4.340 0.002 0.000 0.237 486 R C 2.119 178.437 176.300 0.029 0.000 1.137 486 R CA 1.980 58.090 56.100 0.017 0.000 0.951 486 R CB -0.085 30.211 30.300 -0.006 0.000 0.851 486 R HN 0.403 nan 8.270 nan 0.000 0.434 487 E N -0.295 119.911 120.200 0.011 0.000 2.033 487 E HA -0.091 4.260 4.350 0.002 0.000 0.189 487 E C 1.657 178.265 176.600 0.014 0.000 0.979 487 E CA 1.091 57.499 56.400 0.014 0.000 0.802 487 E CB 0.216 29.917 29.700 0.002 0.000 0.763 487 E HN 0.232 nan 8.360 nan 0.000 0.449 488 K N -0.399 120.004 120.400 0.005 0.000 2.404 488 K HA 0.101 4.422 4.320 0.002 0.000 0.194 488 K C 0.848 177.450 176.600 0.004 0.000 1.023 488 K CA 0.428 56.717 56.287 0.003 0.000 1.094 488 K CB 0.806 33.304 32.500 -0.003 0.000 0.841 488 K HN 0.230 nan 8.250 nan 0.000 0.523 489 G N 2.426 111.230 108.800 0.007 0.000 2.309 489 G HA2 -0.321 3.640 3.960 0.002 0.000 0.286 489 G HA3 -0.321 3.640 3.960 0.002 0.000 0.286 489 G C -0.099 174.802 174.900 0.002 0.000 1.002 489 G CA 1.239 46.343 45.100 0.006 0.000 0.786 489 G HN 0.472 nan 8.290 nan 0.000 0.511 490 E N -1.705 118.494 120.200 -0.001 0.000 2.445 490 E HA 0.706 5.057 4.350 0.002 0.000 0.279 490 E C -0.834 175.761 176.600 -0.008 0.000 1.018 490 E CA -1.033 55.366 56.400 -0.001 0.000 0.816 490 E CB 1.250 30.950 29.700 0.001 0.000 1.356 490 E HN 0.155 nan 8.360 nan 0.000 0.462 491 L N 1.575 122.794 121.223 -0.006 0.000 2.401 491 L HA 0.583 4.924 4.340 0.002 0.000 0.266 491 L C -0.482 176.384 176.870 -0.007 0.000 0.991 491 L CA -0.830 54.001 54.840 -0.015 0.000 0.818 491 L CB 2.013 44.058 42.059 -0.023 0.000 1.321 491 L HN 0.592 nan 8.230 nan 0.000 0.413 492 S N 0.232 115.925 115.700 -0.012 0.000 2.638 492 S HA 0.463 4.934 4.470 0.002 0.000 0.302 492 S C 0.525 175.122 174.600 -0.005 0.000 1.096 492 S CA -0.854 57.343 58.200 -0.004 0.000 0.953 492 S CB 2.277 65.475 63.200 -0.003 0.000 1.107 492 S HN 0.581 nan 8.310 nan 0.000 0.503 493 K N 0.984 121.387 120.400 0.004 0.000 2.163 493 K HA -0.211 4.110 4.320 0.002 0.000 0.210 493 K C 1.692 178.292 176.600 0.000 0.000 1.048 493 K CA 2.372 58.664 56.287 0.008 0.000 0.928 493 K CB -0.459 32.049 32.500 0.014 0.000 0.716 493 K HN 0.694 nan 8.250 nan 0.000 0.459 494 E N 0.002 120.199 120.200 -0.004 0.000 2.072 494 E HA -0.084 4.267 4.350 0.002 0.000 0.191 494 E C 1.916 178.503 176.600 -0.022 0.000 0.985 494 E CA 0.877 57.273 56.400 -0.007 0.000 0.801 494 E CB -0.150 29.547 29.700 -0.005 0.000 0.750 494 E HN 0.181 nan 8.360 nan 0.000 0.452 495 L N -0.031 121.172 121.223 -0.034 0.000 2.093 495 L HA -0.132 4.209 4.340 0.002 0.000 0.208 495 L C 2.157 178.965 176.870 -0.103 0.000 1.085 495 L CA 0.752 55.555 54.840 -0.061 0.000 0.755 495 L CB -0.242 41.782 42.059 -0.058 0.000 0.904 495 L HN 0.139 nan 8.230 nan 0.000 0.435 496 L N -0.763 120.409 121.223 -0.085 0.000 1.976 496 L HA -0.217 4.124 4.340 0.002 0.000 0.209 496 L C 2.774 179.589 176.870 -0.092 0.000 1.071 496 L CA 1.480 56.252 54.840 -0.112 0.000 0.746 496 L CB -0.715 41.334 42.059 -0.016 0.000 0.890 496 L HN 0.233 nan 8.230 nan 0.000 0.432 497 A N -1.238 121.568 122.820 -0.024 0.000 1.969 497 A HA -0.155 4.166 4.320 0.002 0.000 0.218 497 A C 2.471 180.054 177.584 -0.000 0.000 1.169 497 A CA 1.813 53.857 52.037 0.011 0.000 0.635 497 A CB -0.504 18.512 19.000 0.026 0.000 0.810 497 A HN 0.375 nan 8.150 nan 0.000 0.445 498 S N -0.451 115.234 115.700 -0.024 0.000 2.348 498 S HA -0.149 4.322 4.470 0.002 0.000 0.221 498 S C 1.913 176.474 174.600 -0.066 0.000 1.033 498 S CA 1.547 59.736 58.200 -0.018 0.000 1.010 498 S CB -0.450 62.742 63.200 -0.014 0.000 0.891 498 S HN 0.575 nan 8.310 nan 0.000 0.442 499 L N 2.205 123.346 121.223 -0.136 0.000 2.046 499 L HA -0.021 4.320 4.340 0.002 0.000 0.208 499 L C 2.119 178.906 176.870 -0.139 0.000 1.077 499 L CA 1.946 56.660 54.840 -0.209 0.000 0.747 499 L CB -0.594 41.239 42.059 -0.376 0.000 0.896 499 L HN 0.177 nan 8.230 nan 0.000 0.432 500 K N -1.065 119.278 120.400 -0.096 0.000 2.063 500 K HA -0.204 4.118 4.320 0.002 0.000 0.208 500 K C 2.324 179.017 176.600 0.155 0.000 1.048 500 K CA 1.624 57.994 56.287 0.139 0.000 0.928 500 K CB -0.350 32.271 32.500 0.203 0.000 0.713 500 K HN 0.443 nan 8.250 nan 0.000 0.442 501 S N -0.516 115.234 115.700 0.083 0.000 2.402 501 S HA -0.042 4.429 4.470 0.002 0.000 0.229 501 S C 1.862 176.498 174.600 0.061 0.000 1.021 501 S CA 0.990 59.243 58.200 0.088 0.000 0.974 501 S CB -0.198 63.046 63.200 0.072 0.000 0.800 501 S HN 0.468 nan 8.310 nan 0.000 0.484 502 A N 0.615 123.400 122.820 -0.058 0.000 1.874 502 A HA 0.054 4.375 4.320 0.002 0.000 0.214 502 A C 2.368 180.030 177.584 0.131 0.000 1.189 502 A CA 1.872 53.744 52.037 -0.274 0.000 0.615 502 A CB -1.483 17.087 19.000 -0.717 0.000 0.830 502 A HN 0.546 nan 8.150 nan 0.000 0.443 503 T N 0.125 114.827 114.554 0.247 0.000 2.674 503 T HA -0.160 4.191 4.350 0.002 0.000 0.265 503 T C 1.732 176.671 174.700 0.398 0.000 1.039 503 T CA 1.676 64.038 62.100 0.436 0.000 1.150 503 T CB -0.375 68.687 68.868 0.324 0.000 0.864 503 T HN 0.606 nan 8.240 nan 0.000 0.427 504 E N 0.598 121.016 120.200 0.363 0.000 2.233 504 E HA -0.171 4.180 4.350 0.002 0.000 0.199 504 E C 2.414 179.134 176.600 0.201 0.000 1.004 504 E CA 1.070 57.645 56.400 0.293 0.000 0.819 504 E CB -0.157 29.680 29.700 0.228 0.000 0.738 504 E HN 0.288 nan 8.360 nan 0.000 0.478 505 S N -0.199 115.631 115.700 0.217 0.000 2.338 505 S HA -0.155 4.316 4.470 0.002 0.000 0.218 505 S C 1.600 176.269 174.600 0.114 0.000 1.032 505 S CA 0.928 59.238 58.200 0.183 0.000 0.999 505 S CB -0.270 63.095 63.200 0.275 0.000 0.905 505 S HN 0.338 nan 8.310 nan 0.000 0.439 506 F N 2.223 122.143 119.950 -0.050 0.000 2.171 506 F HA -0.082 4.446 4.527 0.002 0.000 0.300 506 F C 2.100 177.866 175.800 -0.057 0.000 1.090 506 F CA 1.051 58.904 58.000 -0.245 0.000 1.293 506 F CB -0.640 38.234 39.000 -0.210 0.000 1.013 506 F HN 0.005 nan 8.300 nan 0.000 0.486 507 V N 0.700 120.680 119.914 0.110 0.000 2.313 507 V HA -0.376 3.745 4.120 0.002 0.000 0.253 507 V C 2.116 178.146 176.094 -0.106 0.000 1.070 507 V CA 1.870 64.204 62.300 0.057 0.000 1.057 507 V CB -1.593 30.292 31.823 0.103 0.000 0.653 507 V HN 0.456 nan 8.190 nan 0.000 0.450 508 A N -0.149 122.601 122.820 -0.117 0.000 2.810 508 A HA 0.346 4.667 4.320 0.002 0.000 0.247 508 A C 0.854 178.302 177.584 -0.226 0.000 1.576 508 A CA 0.700 52.658 52.037 -0.131 0.000 1.294 508 A CB -1.299 17.656 19.000 -0.075 0.000 0.976 508 A HN 0.707 nan 8.150 nan 0.000 0.631 509 T N 0.000 114.329 114.554 -0.375 0.000 3.816 509 T HA 0.000 4.351 4.350 0.002 0.000 0.228 509 T CA 0.000 61.768 62.100 -0.554 0.000 1.349 509 T CB 0.000 68.693 68.868 -0.292 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658