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 1xa4_1_A DATA FIRST_RESID 4 DATA SEQUENCE LPXPKFGPLA GLRVVFSGIE IAGPFAGQXF AEWGAEVIWI ENVAWADTIR DATA SEQUENCE VQPNYPQLSR RNLHALSLNI FKDEGREAFL KLXETTDIFI EASKGPAFAR DATA SEQUENCE RGITDEVLWQ HNPKLVIAHL SGFGQYGTEE YTNLPAYNTI AQAFSGYLIQ DATA SEQUENCE NGDVDQPXPA FPYTADYFSG LTATTAALAA LHKVRETGKG ESIDIAXYEV DATA SEQUENCE XLRXGQYFXX DYFNGGEXCP RXSKGKDPYY AGCGLYKCAD GYIVXELVGI DATA SEQUENCE TQIEECFKDI GLAHLLGTPE IPEGTQLIHR IECPYGPLVE EKLDAWLATH DATA SEQUENCE TIAEVKERFA ELNIACAKVL TVPELESNPQ YVARESITQW QTXDGRTCKG DATA SEQUENCE PNIXPKFKNN PGQIWRGXPS HGXDTAAILK NIGYSENDIQ ELVSKGLAKV 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.865 176.870 -0.009 0.000 1.165 4 L CA 0.000 54.805 54.840 -0.059 0.000 0.813 4 L CB 0.000 41.946 42.059 -0.188 0.000 0.961 8 K N 1.886 122.311 120.400 0.041 0.000 2.253 8 K HA 0.647 4.981 4.320 0.023 0.000 0.277 8 K C -1.071 175.616 176.600 0.145 0.000 1.053 8 K CA -0.426 55.869 56.287 0.013 0.000 0.892 8 K CB 0.277 32.764 32.500 -0.021 0.000 1.102 8 K HN 0.491 nan 8.250 nan 0.000 0.469 9 F N 0.776 120.684 119.950 -0.071 0.000 2.725 9 F HA 0.595 5.135 4.527 0.022 0.000 0.309 9 F C -0.457 175.321 175.800 -0.037 0.000 1.132 9 F CA -0.134 57.842 58.000 -0.040 0.000 0.957 9 F CB 0.655 39.647 39.000 -0.014 0.000 1.286 9 F HN 0.769 nan 8.300 nan 0.000 0.440 10 G N 2.028 110.806 108.800 -0.036 0.000 2.746 10 G HA2 -0.017 3.957 3.960 0.023 0.000 0.685 10 G HA3 -0.017 3.957 3.960 0.023 0.000 0.685 10 G C -2.468 172.258 174.900 -0.290 0.000 1.350 10 G CA -0.476 44.519 45.100 -0.175 0.000 0.837 10 G HN 0.751 nan 8.290 nan 0.000 0.564 11 P HA 0.021 nan 4.420 nan 0.000 0.223 11 P C 1.482 178.663 177.300 -0.198 0.000 1.151 11 P CA 1.081 63.961 63.100 -0.367 0.000 0.787 11 P CB 0.101 31.423 31.700 -0.629 0.000 0.788 12 L N -1.241 119.886 121.223 -0.160 0.000 2.769 12 L HA 0.344 4.698 4.340 0.023 0.000 0.240 12 L C 0.918 177.721 176.870 -0.112 0.000 1.163 12 L CA -0.702 54.107 54.840 -0.052 0.000 0.962 12 L CB -0.316 41.799 42.059 0.094 0.000 1.258 12 L HN -0.185 nan 8.230 nan 0.000 0.513 13 A N 0.554 123.249 122.820 -0.209 0.000 2.580 13 A HA 0.319 4.652 4.320 0.023 0.000 0.244 13 A C 1.476 178.987 177.584 -0.122 0.000 1.045 13 A CA 1.127 53.034 52.037 -0.218 0.000 0.761 13 A CB -0.287 18.586 19.000 -0.212 0.000 0.962 13 A HN 0.691 nan 8.150 nan 0.000 0.512 14 G N 0.803 109.538 108.800 -0.108 0.000 2.213 14 G HA2 -0.139 3.835 3.960 0.023 0.000 0.236 14 G HA3 -0.139 3.835 3.960 0.023 0.000 0.236 14 G C 0.103 174.974 174.900 -0.049 0.000 0.991 14 G CA 0.289 45.346 45.100 -0.071 0.000 0.629 14 G HN 1.463 nan 8.290 nan 0.000 0.517 15 L N 1.692 122.893 121.223 -0.037 0.000 2.371 15 L HA 0.720 5.073 4.340 0.023 0.000 0.272 15 L C 0.617 177.469 176.870 -0.031 0.000 1.124 15 L CA -0.512 54.317 54.840 -0.018 0.000 0.816 15 L CB 0.650 42.724 42.059 0.024 0.000 1.129 15 L HN 0.219 nan 8.230 nan 0.000 0.448 16 R N 4.306 124.779 120.500 -0.044 0.000 2.310 16 R HA 0.630 4.983 4.340 0.023 0.000 0.324 16 R C -1.459 174.798 176.300 -0.072 0.000 0.955 16 R CA -0.731 55.340 56.100 -0.049 0.000 0.830 16 R CB 1.619 31.888 30.300 -0.051 0.000 1.154 16 R HN 0.436 nan 8.270 nan 0.000 0.458 17 V N 3.658 123.530 119.914 -0.069 0.000 2.656 17 V HA 0.492 4.626 4.120 0.023 0.000 0.307 17 V C -0.344 175.766 176.094 0.026 0.000 1.051 17 V CA -0.836 61.392 62.300 -0.120 0.000 0.893 17 V CB 2.367 33.990 31.823 -0.333 0.000 0.999 17 V HN 0.410 nan 8.190 nan 0.000 0.426 18 V N 4.889 124.865 119.914 0.102 0.000 2.709 18 V HA 0.660 4.793 4.120 0.023 0.000 0.308 18 V C -0.847 175.444 176.094 0.328 0.000 1.062 18 V CA -0.621 61.804 62.300 0.209 0.000 0.901 18 V CB 1.735 33.706 31.823 0.246 0.000 1.003 18 V HN 0.825 nan 8.190 nan 0.000 0.425 19 F N 1.666 121.722 119.950 0.177 0.000 2.576 19 F HA 0.872 5.414 4.527 0.025 0.000 0.313 19 F C -0.343 175.569 175.800 0.187 0.000 1.078 19 F CA -0.983 57.050 58.000 0.055 0.000 0.921 19 F CB 2.143 41.122 39.000 -0.036 0.000 1.232 19 F HN 0.369 nan 8.300 nan 0.000 0.459 20 S N 2.409 118.275 115.700 0.277 0.000 2.596 20 S HA 0.890 5.373 4.470 0.023 0.000 0.318 20 S C -0.479 174.300 174.600 0.299 0.000 1.097 20 S CA 0.347 58.726 58.200 0.298 0.000 1.080 20 S CB 0.430 63.876 63.200 0.410 0.000 0.991 20 S HN 1.796 nan 8.310 nan 0.000 0.471 21 G N 3.197 112.212 108.800 0.359 0.000 2.316 21 G HA2 0.414 4.387 3.960 0.023 0.000 0.296 21 G HA3 0.414 4.387 3.960 0.023 0.000 0.296 21 G C -1.443 173.642 174.900 0.308 0.000 1.399 21 G CA -0.250 45.014 45.100 0.272 0.000 0.833 21 G HN 1.262 nan 8.290 nan 0.000 0.565 22 I N -3.778 116.908 120.570 0.193 0.000 3.239 22 I HA 0.899 5.083 4.170 0.023 0.000 0.314 22 I C 0.462 176.625 176.117 0.078 0.000 1.126 22 I CA -0.897 60.515 61.300 0.187 0.000 0.973 22 I CB 2.066 40.171 38.000 0.174 0.000 1.252 22 I HN 0.750 nan 8.210 nan 0.000 0.463 23 E N 0.385 120.629 120.200 0.074 0.000 3.180 23 E HA -0.277 4.086 4.350 0.023 0.000 0.321 23 E C 0.650 177.226 176.600 -0.041 0.000 1.452 23 E CA 2.003 58.407 56.400 0.008 0.000 1.710 23 E CB -0.953 28.721 29.700 -0.045 0.000 1.867 23 E HN 0.794 nan 8.360 nan 0.000 0.513 24 I N 0.611 121.105 120.570 -0.127 0.000 2.522 24 I HA -0.025 4.158 4.170 0.023 0.000 0.240 24 I C 2.521 178.505 176.117 -0.221 0.000 1.078 24 I CA 0.989 62.162 61.300 -0.211 0.000 1.422 24 I CB -0.411 37.331 38.000 -0.431 0.000 1.188 24 I HN 0.508 nan 8.210 nan 0.000 0.442 25 A N 1.254 123.939 122.820 -0.224 0.000 1.845 25 A HA -0.120 4.214 4.320 0.023 0.000 0.215 25 A C 2.356 179.869 177.584 -0.119 0.000 1.195 25 A CA 2.190 54.117 52.037 -0.182 0.000 0.616 25 A CB -1.566 17.341 19.000 -0.155 0.000 0.832 25 A HN 0.465 nan 8.150 nan 0.000 0.443 26 G N -0.363 108.358 108.800 -0.130 0.000 2.404 26 G HA2 -0.068 3.906 3.960 0.023 0.000 0.215 26 G HA3 -0.068 3.906 3.960 0.023 0.000 0.215 26 G C -0.307 174.373 174.900 -0.367 0.000 1.174 26 G CA 1.185 46.186 45.100 -0.164 0.000 0.780 26 G HN 0.497 nan 8.290 nan 0.000 0.537 27 P HA -0.100 nan 4.420 nan 0.000 0.218 27 P C 1.478 178.386 177.300 -0.655 0.000 1.148 27 P CA 0.499 63.061 63.100 -0.896 0.000 0.822 27 P CB -0.085 31.355 31.700 -0.432 0.000 0.784 28 F N 0.887 120.573 119.950 -0.441 0.000 2.134 28 F HA -0.152 4.386 4.527 0.018 0.000 0.299 28 F C 2.172 177.794 175.800 -0.298 0.000 1.097 28 F CA 1.462 59.278 58.000 -0.307 0.000 1.264 28 F CB -0.898 37.973 39.000 -0.215 0.000 1.001 28 F HN -0.136 nan 8.300 nan 0.000 0.479 29 A N 0.262 122.914 122.820 -0.279 0.000 1.883 29 A HA -0.084 4.249 4.320 0.023 0.000 0.217 29 A C 2.500 179.958 177.584 -0.210 0.000 1.186 29 A CA 1.849 53.735 52.037 -0.252 0.000 0.624 29 A CB -1.791 17.143 19.000 -0.111 0.000 0.822 29 A HN 0.507 nan 8.150 nan 0.000 0.444 30 G N -1.193 107.377 108.800 -0.383 0.000 2.404 30 G HA2 -0.061 3.912 3.960 0.023 0.000 0.215 30 G HA3 -0.061 3.912 3.960 0.023 0.000 0.215 30 G C 1.158 175.974 174.900 -0.141 0.000 1.174 30 G CA 0.730 45.683 45.100 -0.246 0.000 0.780 30 G HN 0.528 nan 8.290 nan 0.000 0.537 34 A N 0.455 123.321 122.820 0.078 0.000 1.969 34 A HA -0.088 4.246 4.320 0.023 0.000 0.218 34 A C 1.905 179.602 177.584 0.188 0.000 1.169 34 A CA 1.738 53.873 52.037 0.162 0.000 0.635 34 A CB -0.423 18.673 19.000 0.161 0.000 0.810 34 A HN 0.338 nan 8.150 nan 0.000 0.445 35 E N -0.925 119.266 120.200 -0.014 0.000 2.160 35 E HA -0.194 4.169 4.350 0.023 0.000 0.195 35 E C 0.741 177.616 176.600 0.459 0.000 0.991 35 E CA 0.966 57.423 56.400 0.094 0.000 0.810 35 E CB -0.167 29.431 29.700 -0.169 0.000 0.742 35 E HN 0.922 nan 8.360 nan 0.000 0.466 36 W N -0.270 121.100 121.300 0.118 0.000 3.102 36 W HA 0.398 5.068 4.660 0.017 0.000 0.401 36 W C 1.114 177.473 176.519 -0.267 0.000 1.070 36 W CA 0.243 57.580 57.345 -0.012 0.000 1.921 36 W CB 0.302 29.698 29.460 -0.106 0.000 1.118 36 W HN 0.182 nan 8.180 nan 0.000 0.647 37 G N -0.305 108.362 108.800 -0.221 0.000 2.211 37 G HA2 -0.003 3.970 3.960 0.023 0.000 0.201 37 G HA3 -0.003 3.970 3.960 0.023 0.000 0.201 37 G C 0.480 175.133 174.900 -0.412 0.000 0.997 37 G CA -0.337 44.173 45.100 -0.984 0.000 0.652 37 G HN 0.365 nan 8.290 nan 0.000 0.500 38 A N 0.301 123.079 122.820 -0.070 0.000 2.386 38 A HA 0.600 4.934 4.320 0.023 0.000 0.248 38 A C 0.515 178.161 177.584 0.103 0.000 1.082 38 A CA 0.520 52.574 52.037 0.028 0.000 0.789 38 A CB 0.402 19.487 19.000 0.142 0.000 1.025 38 A HN 0.564 nan 8.150 nan 0.000 0.490 39 E N 1.296 121.541 120.200 0.076 0.000 2.129 39 E HA 0.411 4.775 4.350 0.023 0.000 0.283 39 E C -1.322 175.375 176.600 0.162 0.000 1.080 39 E CA -0.181 56.305 56.400 0.143 0.000 0.867 39 E CB 0.376 30.071 29.700 -0.009 0.000 1.056 39 E HN 0.340 nan 8.360 nan 0.000 0.404 40 V N 6.819 126.927 119.914 0.324 0.000 2.487 40 V HA 0.373 4.506 4.120 0.023 0.000 0.298 40 V C 0.003 176.294 176.094 0.327 0.000 1.028 40 V CA -0.715 61.753 62.300 0.281 0.000 0.860 40 V CB 1.530 33.537 31.823 0.308 0.000 0.991 40 V HN 0.627 nan 8.190 nan 0.000 0.427 41 I N 4.272 124.950 120.570 0.180 0.000 2.321 41 I HA 0.319 4.503 4.170 0.023 0.000 0.291 41 I C -0.829 175.231 176.117 -0.095 0.000 0.998 41 I CA -0.256 61.111 61.300 0.111 0.000 1.227 41 I CB 1.278 39.304 38.000 0.044 0.000 1.368 41 I HN 0.713 nan 8.210 nan 0.000 0.466 42 W N 9.394 130.453 121.300 -0.402 0.000 2.308 42 W HA 0.526 5.201 4.660 0.025 0.000 0.311 42 W C -0.969 175.285 176.519 -0.443 0.000 1.088 42 W CA -1.401 55.424 57.345 -0.866 0.000 1.309 42 W CB 0.367 29.567 29.460 -0.433 0.000 1.229 42 W HN 0.251 nan 8.180 nan 0.000 0.427 43 I N 6.764 127.199 120.570 -0.225 0.000 2.371 43 I HA 0.184 4.368 4.170 0.023 0.000 0.290 43 I C 0.376 176.388 176.117 -0.175 0.000 1.028 43 I CA -0.249 60.953 61.300 -0.163 0.000 1.345 43 I CB 0.874 38.843 38.000 -0.052 0.000 1.407 43 I HN 0.346 nan 8.210 nan 0.000 0.501 44 E N 4.869 124.904 120.200 -0.274 0.000 2.320 44 E HA 0.373 4.736 4.350 0.023 0.000 0.264 44 E C -0.701 175.797 176.600 -0.170 0.000 0.923 44 E CA -1.010 55.256 56.400 -0.223 0.000 0.796 44 E CB 1.520 30.990 29.700 -0.382 0.000 1.262 44 E HN 0.482 nan 8.360 nan 0.000 0.428 45 N N 0.054 118.627 118.700 -0.212 0.000 2.263 45 N HA -0.016 4.738 4.740 0.023 0.000 0.239 45 N C 0.789 176.105 175.510 -0.323 0.000 1.317 45 N CA 0.119 52.938 53.050 -0.384 0.000 0.909 45 N CB 0.856 38.858 38.487 -0.809 0.000 1.171 45 N HN 0.158 nan 8.380 nan 0.000 0.492 46 V N 0.323 119.958 119.914 -0.465 0.000 2.341 46 V HA -0.013 4.121 4.120 0.023 0.000 0.240 46 V C 1.816 177.750 176.094 -0.266 0.000 1.035 46 V CA 1.734 63.837 62.300 -0.328 0.000 1.033 46 V CB -0.654 30.992 31.823 -0.295 0.000 0.678 46 V HN 0.782 nan 8.190 nan 0.000 0.464 47 A N -0.738 121.840 122.820 -0.403 0.000 2.275 47 A HA 0.257 4.591 4.320 0.023 0.000 0.212 47 A C 0.426 178.139 177.584 0.215 0.000 1.201 47 A CA 0.112 52.106 52.037 -0.072 0.000 0.843 47 A CB -0.321 18.717 19.000 0.062 0.000 0.873 47 A HN 0.768 nan 8.150 nan 0.000 0.492 48 W N -3.900 117.467 121.300 0.112 0.000 3.075 48 W HA 0.762 5.435 4.660 0.022 0.000 0.334 48 W C -0.388 176.094 176.519 -0.061 0.000 1.243 48 W CA -0.745 56.631 57.345 0.053 0.000 1.170 48 W CB 0.648 30.119 29.460 0.019 0.000 1.452 48 W HN 0.107 nan 8.180 nan 0.000 0.572 49 A N 0.822 123.645 122.820 0.005 0.000 2.309 49 A HA 0.508 4.842 4.320 0.023 0.000 0.317 49 A C -0.616 176.963 177.584 -0.007 0.000 1.134 49 A CA -0.600 51.220 52.037 -0.362 0.000 0.866 49 A CB 0.814 19.455 19.000 -0.599 0.000 1.329 49 A HN 0.701 nan 8.150 nan 0.000 0.477 50 D N 0.673 121.071 120.400 -0.003 0.000 2.531 50 D HA 0.003 4.657 4.640 0.023 0.000 0.239 50 D C 1.669 178.075 176.300 0.176 0.000 1.144 50 D CA 1.066 55.187 54.000 0.203 0.000 0.869 50 D CB 0.796 41.875 40.800 0.465 0.000 1.160 50 D HN 0.572 nan 8.370 nan 0.000 0.484 51 T N 1.794 116.445 114.554 0.161 0.000 3.025 51 T HA -0.184 4.179 4.350 0.023 0.000 0.270 51 T C 2.033 176.809 174.700 0.126 0.000 1.126 51 T CA 0.107 62.281 62.100 0.123 0.000 1.105 51 T CB -0.111 68.814 68.868 0.096 0.000 0.884 51 T HN 0.398 nan 8.240 nan 0.000 0.522 52 I N 1.758 122.421 120.570 0.156 0.000 2.423 52 I HA -0.074 4.109 4.170 0.023 0.000 0.254 52 I C 2.466 178.681 176.117 0.163 0.000 1.151 52 I CA 0.908 62.303 61.300 0.158 0.000 1.421 52 I CB -0.344 37.748 38.000 0.153 0.000 1.079 52 I HN 0.173 nan 8.210 nan 0.000 0.431 53 R N -0.826 119.777 120.500 0.173 0.000 2.237 53 R HA -0.072 4.281 4.340 0.023 0.000 0.219 53 R C 2.134 178.505 176.300 0.117 0.000 1.080 53 R CA 1.091 57.284 56.100 0.155 0.000 0.995 53 R CB -0.321 30.063 30.300 0.141 0.000 0.875 53 R HN 0.277 nan 8.270 nan 0.000 0.462 54 V N 1.067 121.044 119.914 0.106 0.000 2.490 54 V HA -0.172 3.962 4.120 0.023 0.000 0.250 54 V C 1.000 177.149 176.094 0.093 0.000 1.061 54 V CA 1.322 63.674 62.300 0.088 0.000 1.064 54 V CB -0.355 31.514 31.823 0.076 0.000 0.670 54 V HN 0.290 nan 8.190 nan 0.000 0.461 55 Q N 0.845 120.714 119.800 0.114 0.000 2.313 55 Q HA 0.108 4.461 4.340 0.023 0.000 0.266 55 Q C -1.284 174.788 176.000 0.120 0.000 0.989 55 Q CA -1.466 54.413 55.803 0.127 0.000 0.890 55 Q CB 0.455 29.301 28.738 0.179 0.000 1.200 55 Q HN 0.276 nan 8.270 nan 0.000 0.396 56 P HA -0.076 nan 4.420 nan 0.000 0.221 56 P C -0.034 177.317 177.300 0.085 0.000 1.150 56 P CA 1.274 64.423 63.100 0.082 0.000 0.800 56 P CB 0.644 32.383 31.700 0.064 0.000 0.787 57 N N -2.617 116.152 118.700 0.114 0.000 2.486 57 N HA 0.004 4.758 4.740 0.023 0.000 0.242 57 N C 1.536 177.142 175.510 0.161 0.000 1.083 57 N CA -0.288 52.827 53.050 0.109 0.000 0.844 57 N CB -0.767 37.773 38.487 0.089 0.000 1.527 57 N HN -0.128 nan 8.380 nan 0.000 0.462 58 Y N 3.334 123.683 120.300 0.082 0.000 2.151 58 Y HA -0.070 4.493 4.550 0.021 0.000 0.284 58 Y C -1.173 174.789 175.900 0.104 0.000 1.166 58 Y CA 1.622 59.780 58.100 0.097 0.000 1.163 58 Y CB -1.059 37.456 38.460 0.091 0.000 0.974 58 Y HN 0.067 nan 8.280 nan 0.000 0.511 59 P HA -0.172 nan 4.420 nan 0.000 0.219 59 P C 1.330 178.584 177.300 -0.077 0.000 1.146 59 P CA 1.664 64.684 63.100 -0.133 0.000 0.808 59 P CB -0.133 31.590 31.700 0.039 0.000 0.779 60 Q N -0.893 118.931 119.800 0.039 0.000 2.181 60 Q HA -0.156 4.198 4.340 0.023 0.000 0.205 60 Q C 2.069 178.214 176.000 0.241 0.000 0.980 60 Q CA 1.110 57.008 55.803 0.159 0.000 0.862 60 Q CB -0.980 27.862 28.738 0.173 0.000 0.905 60 Q HN 0.304 nan 8.270 nan 0.000 0.429 61 L N 0.509 121.804 121.223 0.119 0.000 2.084 61 L HA -0.045 4.309 4.340 0.023 0.000 0.202 61 L C 2.177 178.915 176.870 -0.220 0.000 1.074 61 L CA 2.089 56.939 54.840 0.018 0.000 0.757 61 L CB -0.680 41.420 42.059 0.069 0.000 0.918 61 L HN 0.154 nan 8.230 nan 0.000 0.444 62 S N -1.270 114.171 115.700 -0.431 0.000 2.561 62 S HA 0.049 4.532 4.470 0.023 0.000 0.225 62 S C 1.472 175.860 174.600 -0.354 0.000 0.977 62 S CA 0.116 58.058 58.200 -0.430 0.000 0.926 62 S CB -0.273 62.490 63.200 -0.727 0.000 0.769 62 S HN 0.472 nan 8.310 nan 0.000 0.533 63 R N 1.347 121.655 120.500 -0.320 0.000 2.600 63 R HA 0.234 4.588 4.340 0.023 0.000 0.392 63 R C 0.106 176.286 176.300 -0.200 0.000 1.032 63 R CA -0.191 55.699 56.100 -0.349 0.000 1.139 63 R CB 0.231 30.239 30.300 -0.487 0.000 1.400 63 R HN 0.667 nan 8.270 nan 0.000 0.566 64 R N 0.800 121.170 120.500 -0.216 0.000 2.738 64 R HA 0.101 4.455 4.340 0.023 0.000 0.268 64 R C -0.283 175.835 176.300 -0.304 0.000 1.062 64 R CA -0.139 55.794 56.100 -0.277 0.000 1.158 64 R CB 0.226 30.269 30.300 -0.428 0.000 1.046 64 R HN -0.131 nan 8.270 nan 0.000 0.493 65 N N -0.965 117.443 118.700 -0.486 0.000 2.800 65 N HA -0.161 4.593 4.740 0.023 0.000 0.250 65 N C -1.113 174.270 175.510 -0.212 0.000 1.078 65 N CA 1.272 53.981 53.050 -0.567 0.000 0.804 65 N CB -1.068 37.334 38.487 -0.142 0.000 1.135 65 N HN 0.539 nan 8.380 nan 0.000 0.565 66 L N 0.106 121.218 121.223 -0.185 0.000 2.334 66 L HA 0.424 4.777 4.340 0.023 0.000 0.272 66 L C 0.320 177.167 176.870 -0.039 0.000 1.020 66 L CA -0.770 54.105 54.840 0.058 0.000 0.812 66 L CB 1.119 43.294 42.059 0.194 0.000 1.264 66 L HN 0.103 nan 8.230 nan 0.000 0.439 67 H N 0.559 119.768 119.070 0.232 0.000 2.463 67 H HA 0.602 5.171 4.556 0.022 0.000 0.332 67 H C -0.285 175.134 175.328 0.151 0.000 1.127 67 H CA -0.468 55.690 56.048 0.183 0.000 1.238 67 H CB 1.571 31.435 29.762 0.170 0.000 1.478 67 H HN 0.644 nan 8.280 nan 0.000 0.499 68 A N 3.032 125.948 122.820 0.160 0.000 2.287 68 A HA 0.515 4.849 4.320 0.023 0.000 0.317 68 A C -1.212 176.318 177.584 -0.091 0.000 1.220 68 A CA -0.589 51.421 52.037 -0.045 0.000 0.835 68 A CB 0.335 19.225 19.000 -0.184 0.000 1.180 68 A HN 0.519 nan 8.150 nan 0.000 0.500 69 L N 2.684 123.818 121.223 -0.149 0.000 2.333 69 L HA 0.720 5.074 4.340 0.023 0.000 0.280 69 L C -0.104 176.652 176.870 -0.191 0.000 1.004 69 L CA 0.034 54.792 54.840 -0.137 0.000 0.820 69 L CB 2.000 44.002 42.059 -0.096 0.000 1.247 69 L HN 0.499 nan 8.230 nan 0.000 0.416 70 S N 5.634 121.222 115.700 -0.187 0.000 2.498 70 S HA 0.805 5.288 4.470 0.023 0.000 0.324 70 S C -1.201 173.278 174.600 -0.201 0.000 1.071 70 S CA -0.449 57.633 58.200 -0.196 0.000 1.113 70 S CB 0.189 63.227 63.200 -0.270 0.000 0.976 70 S HN 0.660 nan 8.310 nan 0.000 0.462 71 L N 5.202 126.306 121.223 -0.198 0.000 2.565 71 L HA 0.530 4.884 4.340 0.023 0.000 0.261 71 L C -1.115 175.621 176.870 -0.223 0.000 0.932 71 L CA -0.370 54.350 54.840 -0.201 0.000 0.878 71 L CB 2.026 43.978 42.059 -0.178 0.000 1.333 71 L HN 0.616 nan 8.230 nan 0.000 0.409 72 N N 4.778 123.352 118.700 -0.211 0.000 2.448 72 N HA 0.179 4.933 4.740 0.023 0.000 0.250 72 N C 1.040 176.394 175.510 -0.260 0.000 1.136 72 N CA -0.122 52.807 53.050 -0.202 0.000 0.953 72 N CB 0.416 38.820 38.487 -0.139 0.000 1.251 72 N HN 0.754 nan 8.380 nan 0.000 0.502 73 I N -0.529 119.754 120.570 -0.479 0.000 3.291 73 I HA 0.074 4.258 4.170 0.023 0.000 0.279 73 I C 0.013 175.655 176.117 -0.791 0.000 1.294 73 I CA 0.659 61.518 61.300 -0.735 0.000 1.428 73 I CB -0.229 36.972 38.000 -1.331 0.000 1.070 73 I HN 0.102 nan 8.210 nan 0.000 0.478 74 F N 1.518 121.319 119.950 -0.248 0.000 2.731 74 F HA 0.381 4.922 4.527 0.022 0.000 0.298 74 F C 1.051 176.782 175.800 -0.114 0.000 1.106 74 F CA -0.169 57.712 58.000 -0.200 0.000 1.329 74 F CB 0.187 39.050 39.000 -0.228 0.000 1.100 74 F HN -0.073 nan 8.300 nan 0.000 0.592 75 K N 1.173 121.595 120.400 0.037 0.000 2.358 75 K HA 0.237 4.570 4.320 0.023 0.000 0.260 75 K C -0.454 176.145 176.600 -0.002 0.000 0.956 75 K CA -0.348 55.954 56.287 0.025 0.000 0.834 75 K CB 0.803 33.313 32.500 0.017 0.000 1.102 75 K HN -0.042 nan 8.250 nan 0.000 0.431 76 D N 2.730 123.137 120.400 0.011 0.000 3.608 76 D HA -0.274 4.380 4.640 0.023 0.000 0.152 76 D C 0.752 177.057 176.300 0.009 0.000 0.971 76 D CA 1.703 55.710 54.000 0.011 0.000 1.072 76 D CB -0.296 40.507 40.800 0.005 0.000 0.507 76 D HN 0.734 nan 8.370 nan 0.000 0.520 77 E N 0.648 120.851 120.200 0.006 0.000 2.268 77 E HA 0.107 4.471 4.350 0.023 0.000 0.195 77 E C 2.044 178.634 176.600 -0.018 0.000 0.995 77 E CA 1.182 57.593 56.400 0.019 0.000 0.836 77 E CB -0.479 29.238 29.700 0.028 0.000 0.763 77 E HN 0.504 nan 8.360 nan 0.000 0.491 78 G N 0.922 109.689 108.800 -0.055 0.000 2.418 78 G HA2 -0.337 3.636 3.960 0.023 0.000 0.217 78 G HA3 -0.337 3.636 3.960 0.023 0.000 0.217 78 G C 1.560 176.414 174.900 -0.076 0.000 1.158 78 G CA 0.754 45.796 45.100 -0.098 0.000 0.771 78 G HN 0.181 nan 8.290 nan 0.000 0.545 79 R N 0.586 121.052 120.500 -0.056 0.000 2.096 79 R HA -0.080 4.274 4.340 0.023 0.000 0.235 79 R C 2.380 178.688 176.300 0.014 0.000 1.127 79 R CA 1.807 57.890 56.100 -0.028 0.000 0.968 79 R CB -0.337 29.958 30.300 -0.009 0.000 0.861 79 R HN 0.539 nan 8.270 nan 0.000 0.440 80 E N -0.233 119.980 120.200 0.021 0.000 2.072 80 E HA -0.178 4.186 4.350 0.023 0.000 0.191 80 E C 1.769 178.408 176.600 0.066 0.000 0.985 80 E CA 1.184 57.611 56.400 0.045 0.000 0.801 80 E CB -0.110 29.642 29.700 0.088 0.000 0.750 80 E HN 0.472 nan 8.360 nan 0.000 0.452 81 A N 0.553 123.418 122.820 0.075 0.000 1.930 81 A HA -0.158 4.175 4.320 0.023 0.000 0.217 81 A C 1.986 179.561 177.584 -0.015 0.000 1.175 81 A CA 1.244 53.308 52.037 0.044 0.000 0.627 81 A CB -0.837 18.016 19.000 -0.245 0.000 0.815 81 A HN 0.528 nan 8.150 nan 0.000 0.443 82 F N 0.722 120.562 119.950 -0.184 0.000 2.102 82 F HA -0.110 4.430 4.527 0.022 0.000 0.298 82 F C 1.814 177.453 175.800 -0.267 0.000 1.105 82 F CA 1.697 59.551 58.000 -0.242 0.000 1.239 82 F CB -0.330 38.485 39.000 -0.307 0.000 0.991 82 F HN 0.127 nan 8.300 nan 0.000 0.474 83 L N 0.115 121.090 121.223 -0.415 0.000 2.141 83 L HA -0.184 4.170 4.340 0.023 0.000 0.209 83 L C 2.413 178.978 176.870 -0.508 0.000 1.094 83 L CA 1.451 55.869 54.840 -0.704 0.000 0.763 83 L CB -0.711 40.821 42.059 -0.878 0.000 0.908 83 L HN 0.127 nan 8.230 nan 0.000 0.437 84 K N 0.627 120.892 120.400 -0.224 0.000 2.025 84 K HA -0.133 4.200 4.320 0.023 0.000 0.207 84 K C 1.005 177.537 176.600 -0.114 0.000 1.049 84 K CA 0.719 56.971 56.287 -0.059 0.000 0.933 84 K CB -0.395 32.146 32.500 0.068 0.000 0.714 84 K HN -0.033 nan 8.250 nan 0.000 0.438 88 T N -0.669 113.850 114.554 -0.059 0.000 3.182 88 T HA 0.243 4.607 4.350 0.023 0.000 0.277 88 T C 0.296 174.962 174.700 -0.056 0.000 1.013 88 T CA -0.200 61.870 62.100 -0.049 0.000 0.900 88 T CB 0.485 69.325 68.868 -0.047 0.000 1.098 88 T HN -0.176 nan 8.240 nan 0.000 0.543 89 T N 2.334 116.847 114.554 -0.069 0.000 2.837 89 T HA 0.292 4.656 4.350 0.023 0.000 0.285 89 T C 0.366 175.048 174.700 -0.030 0.000 0.984 89 T CA -0.623 61.440 62.100 -0.061 0.000 1.049 89 T CB 1.616 70.427 68.868 -0.094 0.000 0.947 89 T HN 0.123 nan 8.240 nan 0.000 0.472 90 D N 1.844 122.227 120.400 -0.028 0.000 2.162 90 D HA 0.130 4.783 4.640 0.023 0.000 0.205 90 D C 0.462 176.761 176.300 -0.002 0.000 0.964 90 D CA 0.990 54.983 54.000 -0.012 0.000 0.847 90 D CB 0.623 41.410 40.800 -0.023 0.000 0.988 90 D HN 0.419 nan 8.370 nan 0.000 0.480 91 I N 0.438 120.983 120.570 -0.042 0.000 2.534 91 I HA 0.209 4.393 4.170 0.023 0.000 0.288 91 I C -1.329 174.798 176.117 0.017 0.000 1.077 91 I CA -0.912 60.355 61.300 -0.056 0.000 1.051 91 I CB 2.619 40.479 38.000 -0.235 0.000 1.234 91 I HN -0.249 nan 8.210 nan 0.000 0.425 92 F N 8.019 127.902 119.950 -0.111 0.000 2.467 92 F HA 0.666 5.208 4.527 0.024 0.000 0.336 92 F C -0.958 174.769 175.800 -0.122 0.000 1.123 92 F CA -0.927 57.017 58.000 -0.093 0.000 0.964 92 F CB 1.014 39.961 39.000 -0.088 0.000 1.136 92 F HN 0.182 nan 8.300 nan 0.000 0.447 93 I N 5.488 125.662 120.570 -0.661 0.000 2.378 93 I HA 0.373 4.556 4.170 0.023 0.000 0.291 93 I C -1.304 174.290 176.117 -0.872 0.000 0.992 93 I CA -0.576 60.369 61.300 -0.592 0.000 1.154 93 I CB 1.850 39.709 38.000 -0.235 0.000 1.315 93 I HN 0.623 nan 8.210 nan 0.000 0.448 94 E N 5.930 125.648 120.200 -0.804 0.000 2.292 94 E HA 0.800 5.164 4.350 0.023 0.000 0.272 94 E C -1.504 174.942 176.600 -0.257 0.000 0.881 94 E CA -0.919 55.138 56.400 -0.572 0.000 0.754 94 E CB 1.919 31.061 29.700 -0.931 0.000 1.201 94 E HN 0.538 nan 8.360 nan 0.000 0.425 95 A N 2.298 125.074 122.820 -0.073 0.000 2.288 95 A HA 0.801 5.135 4.320 0.023 0.000 0.320 95 A C -0.320 177.315 177.584 0.085 0.000 1.217 95 A CA 0.029 52.062 52.037 -0.006 0.000 0.840 95 A CB 0.498 19.488 19.000 -0.017 0.000 1.179 95 A HN 1.109 nan 8.150 nan 0.000 0.504 96 S N 1.671 117.432 115.700 0.102 0.000 2.661 96 S HA 0.498 4.982 4.470 0.023 0.000 0.268 96 S C -1.140 173.527 174.600 0.111 0.000 1.162 96 S CA -1.038 57.251 58.200 0.147 0.000 0.817 96 S CB 0.732 64.104 63.200 0.287 0.000 1.141 96 S HN 0.523 nan 8.310 nan 0.000 0.477 97 K N 1.973 122.436 120.400 0.105 0.000 2.171 97 K HA 0.488 4.822 4.320 0.023 0.000 0.274 97 K C 0.993 177.657 176.600 0.106 0.000 1.110 97 K CA 0.408 56.752 56.287 0.094 0.000 0.952 97 K CB -0.152 32.389 32.500 0.068 0.000 1.309 97 K HN 1.128 nan 8.250 nan 0.000 0.414 98 G N 4.532 113.404 108.800 0.121 0.000 2.575 98 G HA2 -0.253 3.720 3.960 0.023 0.000 0.267 98 G HA3 -0.253 3.720 3.960 0.023 0.000 0.267 98 G C -2.203 172.762 174.900 0.107 0.000 1.264 98 G CA -0.693 44.473 45.100 0.111 0.000 0.935 98 G HN 0.491 nan 8.290 nan 0.000 0.568 99 P HA 0.391 nan 4.420 nan 0.000 0.228 99 P C 0.925 178.300 177.300 0.125 0.000 1.748 99 P CA 0.948 64.099 63.100 0.086 0.000 0.909 99 P CB 0.160 31.894 31.700 0.058 0.000 1.882 100 A N 0.071 122.990 122.820 0.165 0.000 1.933 100 A HA -0.171 4.163 4.320 0.023 0.000 0.218 100 A C 1.713 179.373 177.584 0.126 0.000 1.175 100 A CA 1.152 53.259 52.037 0.117 0.000 0.628 100 A CB -1.360 17.714 19.000 0.124 0.000 0.814 100 A HN 0.155 nan 8.150 nan 0.000 0.444 101 F N 0.190 120.205 119.950 0.108 0.000 2.134 101 F HA -0.078 4.464 4.527 0.024 0.000 0.299 101 F C 2.783 178.664 175.800 0.136 0.000 1.097 101 F CA 0.868 58.989 58.000 0.201 0.000 1.264 101 F CB -0.641 38.572 39.000 0.354 0.000 1.001 101 F HN 0.259 nan 8.300 nan 0.000 0.479 102 A N -0.087 122.896 122.820 0.272 0.000 1.933 102 A HA -0.193 4.141 4.320 0.023 0.000 0.218 102 A C 2.338 179.967 177.584 0.075 0.000 1.175 102 A CA 1.545 53.673 52.037 0.152 0.000 0.628 102 A CB -0.618 18.446 19.000 0.107 0.000 0.814 102 A HN 0.310 nan 8.150 nan 0.000 0.444 103 R N -0.938 119.585 120.500 0.038 0.000 2.115 103 R HA -0.020 4.334 4.340 0.023 0.000 0.230 103 R C 1.984 178.245 176.300 -0.064 0.000 1.111 103 R CA 1.275 57.368 56.100 -0.013 0.000 0.976 103 R CB -0.182 30.099 30.300 -0.031 0.000 0.870 103 R HN 0.430 nan 8.270 nan 0.000 0.445 104 R N -0.728 119.690 120.500 -0.137 0.000 2.313 104 R HA 0.040 4.393 4.340 0.023 0.000 0.199 104 R C 0.978 177.240 176.300 -0.063 0.000 0.958 104 R CA 0.588 56.540 56.100 -0.247 0.000 1.047 104 R CB 0.560 30.407 30.300 -0.755 0.000 0.955 104 R HN 0.443 nan 8.270 nan 0.000 0.481 105 G N 0.631 109.444 108.800 0.022 0.000 2.218 105 G HA2 -0.228 3.745 3.960 0.023 0.000 0.216 105 G HA3 -0.228 3.745 3.960 0.023 0.000 0.216 105 G C 0.226 175.205 174.900 0.132 0.000 0.994 105 G CA -0.479 44.667 45.100 0.076 0.000 0.637 105 G HN 0.221 nan 8.290 nan 0.000 0.505 106 I N 3.660 124.348 120.570 0.197 0.000 2.316 106 I HA 0.304 4.488 4.170 0.023 0.000 0.286 106 I C 1.210 177.496 176.117 0.281 0.000 1.107 106 I CA 0.049 61.507 61.300 0.264 0.000 1.219 106 I CB 0.521 38.748 38.000 0.377 0.000 1.455 106 I HN 0.297 nan 8.210 nan 0.000 0.498 107 T N -0.667 113.991 114.554 0.174 0.000 2.816 107 T HA 0.150 4.514 4.350 0.023 0.000 0.282 107 T C 0.925 175.652 174.700 0.045 0.000 0.993 107 T CA -0.627 61.547 62.100 0.124 0.000 0.994 107 T CB 1.513 70.435 68.868 0.089 0.000 1.025 107 T HN 0.329 nan 8.240 nan 0.000 0.529 108 D N 0.536 120.896 120.400 -0.066 0.000 2.149 108 D HA -0.067 4.587 4.640 0.023 0.000 0.198 108 D C 1.956 178.003 176.300 -0.422 0.000 0.990 108 D CA 1.239 54.978 54.000 -0.436 0.000 0.839 108 D CB -0.172 40.258 40.800 -0.616 0.000 0.948 108 D HN 0.706 nan 8.370 nan 0.000 0.460 109 E N 0.050 120.234 120.200 -0.026 0.000 2.077 109 E HA -0.087 4.276 4.350 0.023 0.000 0.193 109 E C 2.288 178.986 176.600 0.163 0.000 0.989 109 E CA 0.261 56.780 56.400 0.198 0.000 0.800 109 E CB -0.236 29.581 29.700 0.194 0.000 0.746 109 E HN 0.078 nan 8.360 nan 0.000 0.452 110 V N 0.737 120.716 119.914 0.108 0.000 2.343 110 V HA -0.243 3.891 4.120 0.023 0.000 0.247 110 V C 2.182 178.365 176.094 0.150 0.000 1.051 110 V CA 1.487 63.872 62.300 0.141 0.000 1.036 110 V CB -0.442 31.458 31.823 0.129 0.000 0.654 110 V HN 0.246 nan 8.190 nan 0.000 0.451 111 L N -1.561 119.673 121.223 0.018 0.000 2.046 111 L HA -0.189 4.165 4.340 0.023 0.000 0.208 111 L C 2.495 179.406 176.870 0.067 0.000 1.077 111 L CA 1.658 56.464 54.840 -0.056 0.000 0.747 111 L CB -0.564 41.365 42.059 -0.217 0.000 0.896 111 L HN 0.415 nan 8.230 nan 0.000 0.432 112 W N 0.450 121.807 121.300 0.095 0.000 2.519 112 W HA -0.072 4.600 4.660 0.021 0.000 0.266 112 W C 2.506 179.053 176.519 0.046 0.000 1.253 112 W CA 0.501 57.885 57.345 0.064 0.000 1.274 112 W CB -0.657 28.838 29.460 0.059 0.000 1.114 112 W HN 0.353 nan 8.180 nan 0.000 0.596 113 Q N -1.147 118.806 119.800 0.256 0.000 2.167 113 Q HA -0.169 4.184 4.340 0.023 0.000 0.202 113 Q C 1.893 177.876 176.000 -0.028 0.000 0.970 113 Q CA 1.236 57.100 55.803 0.101 0.000 0.855 113 Q CB -0.279 28.504 28.738 0.075 0.000 0.911 113 Q HN 0.411 nan 8.270 nan 0.000 0.438 114 H N -1.068 118.027 119.070 0.042 0.000 2.448 114 H HA 0.103 4.672 4.556 0.022 0.000 0.292 114 H C 0.368 175.699 175.328 0.005 0.000 1.035 114 H CA 0.644 56.690 56.048 -0.004 0.000 1.349 114 H CB 0.574 30.297 29.762 -0.065 0.000 1.425 114 H HN 0.070 nan 8.280 nan 0.000 0.539 115 N N 0.077 118.874 118.700 0.162 0.000 2.664 115 N HA 0.064 4.818 4.740 0.023 0.000 0.268 115 N C -2.326 173.323 175.510 0.231 0.000 1.222 115 N CA -1.616 51.514 53.050 0.134 0.000 0.805 115 N CB 1.456 39.995 38.487 0.087 0.000 1.399 115 N HN -0.132 nan 8.380 nan 0.000 0.547 116 P HA -0.064 nan 4.420 nan 0.000 0.225 116 P C 0.405 177.699 177.300 -0.011 0.000 1.148 116 P CA 0.981 64.117 63.100 0.059 0.000 0.779 116 P CB 0.495 32.180 31.700 -0.025 0.000 0.780 117 K N -0.978 119.460 120.400 0.063 0.000 2.400 117 K HA 0.055 4.389 4.320 0.023 0.000 0.194 117 K C 0.791 177.479 176.600 0.146 0.000 1.033 117 K CA -0.393 55.925 56.287 0.052 0.000 1.021 117 K CB -0.258 32.260 32.500 0.030 0.000 0.808 117 K HN 0.078 nan 8.250 nan 0.000 0.505 118 L N 2.046 123.435 121.223 0.276 0.000 2.540 118 L HA -0.037 4.316 4.340 0.023 0.000 0.276 118 L C -0.433 176.641 176.870 0.340 0.000 1.212 118 L CA 0.485 55.485 54.840 0.267 0.000 0.893 118 L CB 0.613 42.810 42.059 0.230 0.000 1.138 118 L HN -0.220 nan 8.230 nan 0.000 0.491 119 V N 7.548 127.583 119.914 0.202 0.000 2.406 119 V HA 0.306 4.440 4.120 0.023 0.000 0.272 119 V C 0.307 176.480 176.094 0.132 0.000 1.043 119 V CA -0.243 62.170 62.300 0.188 0.000 0.915 119 V CB 0.906 32.802 31.823 0.122 0.000 0.988 119 V HN 0.553 nan 8.190 nan 0.000 0.466 120 I N 4.623 125.267 120.570 0.123 0.000 2.355 120 I HA 0.649 4.832 4.170 0.023 0.000 0.288 120 I C 0.327 176.387 176.117 -0.095 0.000 0.999 120 I CA -0.335 60.946 61.300 -0.031 0.000 1.163 120 I CB 1.656 39.599 38.000 -0.095 0.000 1.316 120 I HN 0.625 nan 8.210 nan 0.000 0.454 121 A N 6.322 129.007 122.820 -0.224 0.000 2.258 121 A HA 0.537 4.871 4.320 0.023 0.000 0.316 121 A C -0.705 176.699 177.584 -0.300 0.000 1.279 121 A CA -0.487 51.458 52.037 -0.154 0.000 0.876 121 A CB 0.165 19.109 19.000 -0.093 0.000 1.170 121 A HN 0.688 nan 8.150 nan 0.000 0.520 122 H N 3.103 122.114 119.070 -0.100 0.000 2.541 122 H HA 0.306 4.875 4.556 0.022 0.000 0.316 122 H C -1.066 174.220 175.328 -0.069 0.000 1.043 122 H CA -0.171 55.808 56.048 -0.114 0.000 1.232 122 H CB 1.517 31.244 29.762 -0.057 0.000 1.406 122 H HN 0.518 nan 8.280 nan 0.000 0.469 123 L N 3.717 124.948 121.223 0.014 0.000 2.280 123 L HA 0.248 4.601 4.340 0.023 0.000 0.287 123 L C -0.065 176.811 176.870 0.010 0.000 1.023 123 L CA -0.291 54.546 54.840 -0.006 0.000 0.819 123 L CB 0.825 42.855 42.059 -0.049 0.000 1.212 123 L HN 0.629 nan 8.230 nan 0.000 0.420 124 S N 1.389 117.096 115.700 0.012 0.000 2.651 124 S HA 0.505 4.989 4.470 0.023 0.000 0.279 124 S C 0.645 175.232 174.600 -0.022 0.000 1.148 124 S CA -0.167 58.047 58.200 0.024 0.000 0.837 124 S CB 1.518 64.764 63.200 0.077 0.000 1.138 124 S HN 0.591 nan 8.310 nan 0.000 0.478 125 G N -0.060 108.726 108.800 -0.024 0.000 2.402 125 G HA2 0.060 4.033 3.960 0.023 0.000 0.216 125 G HA3 0.060 4.033 3.960 0.023 0.000 0.216 125 G C 0.404 175.065 174.900 -0.399 0.000 1.162 125 G CA 0.611 45.561 45.100 -0.250 0.000 0.777 125 G HN 0.623 nan 8.290 nan 0.000 0.539 126 F N 0.162 120.166 119.950 0.090 0.000 2.798 126 F HA 0.471 5.013 4.527 0.025 0.000 0.328 126 F C 1.154 177.038 175.800 0.140 0.000 1.098 126 F CA 0.114 58.221 58.000 0.177 0.000 1.172 126 F CB 1.135 40.137 39.000 0.004 0.000 1.072 126 F HN 0.429 nan 8.300 nan 0.000 0.555 127 G N 0.490 109.391 108.800 0.169 0.000 2.603 127 G HA2 -0.142 3.832 3.960 0.023 0.000 0.686 127 G HA3 -0.142 3.832 3.960 0.023 0.000 0.686 127 G C 0.014 174.955 174.900 0.070 0.000 1.286 127 G CA -0.684 44.453 45.100 0.061 0.000 0.871 127 G HN -0.081 nan 8.290 nan 0.000 0.568 128 Q N -1.000 118.839 119.800 0.064 0.000 2.389 128 Q HA 0.158 4.512 4.340 0.023 0.000 0.204 128 Q C 0.764 176.874 176.000 0.184 0.000 0.944 128 Q CA 1.906 57.763 55.803 0.089 0.000 0.908 128 Q CB 0.177 28.936 28.738 0.036 0.000 1.002 128 Q HN 0.878 nan 8.270 nan 0.000 0.493 129 Y N -3.685 116.654 120.300 0.065 0.000 2.655 129 Y HA 0.688 5.251 4.550 0.022 0.000 0.336 129 Y C 0.150 176.113 175.900 0.106 0.000 1.154 129 Y CA -0.548 57.595 58.100 0.071 0.000 1.055 129 Y CB 0.869 39.362 38.460 0.055 0.000 1.295 129 Y HN -0.026 nan 8.280 nan 0.000 0.465 130 G N 0.509 109.368 108.800 0.099 0.000 2.480 130 G HA2 0.340 4.314 3.960 0.023 0.000 0.109 130 G HA3 0.340 4.314 3.960 0.023 0.000 0.109 130 G C -0.857 174.117 174.900 0.122 0.000 1.172 130 G CA -0.237 44.880 45.100 0.028 0.000 1.091 130 G HN 1.294 nan 8.290 nan 0.000 0.464 131 T N -0.854 113.768 114.554 0.112 0.000 2.922 131 T HA 0.594 4.958 4.350 0.023 0.000 0.285 131 T C 0.856 175.596 174.700 0.067 0.000 1.005 131 T CA 0.338 62.505 62.100 0.111 0.000 1.061 131 T CB 2.049 71.013 68.868 0.161 0.000 1.007 131 T HN 0.379 nan 8.240 nan 0.000 0.502 132 E N 0.627 120.848 120.200 0.035 0.000 2.204 132 E HA -0.155 4.209 4.350 0.023 0.000 0.195 132 E C 1.768 178.322 176.600 -0.076 0.000 0.990 132 E CA 1.003 57.397 56.400 -0.009 0.000 0.821 132 E CB -0.055 29.639 29.700 -0.010 0.000 0.750 132 E HN 0.893 nan 8.360 nan 0.000 0.477 133 E N -0.586 119.549 120.200 -0.108 0.000 2.106 133 E HA -0.165 4.199 4.350 0.023 0.000 0.192 133 E C 1.112 177.410 176.600 -0.504 0.000 0.984 133 E CA 0.972 57.183 56.400 -0.316 0.000 0.806 133 E CB 0.139 29.591 29.700 -0.413 0.000 0.750 133 E HN 0.293 nan 8.360 nan 0.000 0.458 134 Y N -1.404 118.736 120.300 -0.268 0.000 2.535 134 Y HA 0.118 4.683 4.550 0.025 0.000 0.264 134 Y C 2.353 177.939 175.900 -0.525 0.000 1.087 134 Y CA 0.528 58.280 58.100 -0.579 0.000 1.285 134 Y CB 0.202 38.300 38.460 -0.604 0.000 1.200 134 Y HN -0.049 nan 8.280 nan 0.000 0.514 135 T N 0.346 114.867 114.554 -0.055 0.000 2.803 135 T HA -0.186 4.177 4.350 0.023 0.000 0.269 135 T C 0.973 175.695 174.700 0.037 0.000 1.052 135 T CA 1.859 63.981 62.100 0.037 0.000 1.136 135 T CB -0.443 68.463 68.868 0.063 0.000 0.864 135 T HN 0.384 nan 8.240 nan 0.000 0.467 136 N N 0.337 119.020 118.700 -0.028 0.000 2.251 136 N HA 0.295 5.048 4.740 0.023 0.000 0.217 136 N C -0.449 175.052 175.510 -0.015 0.000 1.124 136 N CA -0.199 52.850 53.050 -0.001 0.000 0.843 136 N CB 0.209 38.690 38.487 -0.010 0.000 1.024 136 N HN 0.305 nan 8.380 nan 0.000 0.501 137 L N 1.296 122.483 121.223 -0.061 0.000 2.436 137 L HA 0.349 4.702 4.340 0.023 0.000 0.265 137 L C -1.849 175.114 176.870 0.156 0.000 1.168 137 L CA -1.926 52.895 54.840 -0.032 0.000 0.815 137 L CB 0.197 42.096 42.059 -0.267 0.000 1.109 137 L HN -0.113 nan 8.230 nan 0.000 0.462 138 P HA 0.028 nan 4.420 nan 0.000 0.266 138 P C -1.001 176.417 177.300 0.196 0.000 1.195 138 P CA -0.189 63.009 63.100 0.164 0.000 0.768 138 P CB 0.535 32.387 31.700 0.255 0.000 0.838 139 A N 3.298 126.111 122.820 -0.013 0.000 2.260 139 A HA 0.579 4.913 4.320 0.023 0.000 0.308 139 A C -1.129 176.264 177.584 -0.318 0.000 1.254 139 A CA -0.146 51.834 52.037 -0.094 0.000 0.874 139 A CB -0.216 18.713 19.000 -0.117 0.000 1.153 139 A HN 0.467 nan 8.150 nan 0.000 0.527 140 Y N 0.994 121.291 120.300 -0.005 0.000 2.524 140 Y HA 0.267 4.830 4.550 0.022 0.000 0.347 140 Y C 1.426 177.321 175.900 -0.008 0.000 1.005 140 Y CA -0.839 57.255 58.100 -0.009 0.000 1.025 140 Y CB 1.712 40.184 38.460 0.020 0.000 1.275 140 Y HN 0.815 nan 8.280 nan 0.000 0.460 141 N N 0.127 118.924 118.700 0.161 0.000 2.037 141 N HA -0.250 4.504 4.740 0.023 0.000 0.196 141 N C 1.410 177.026 175.510 0.177 0.000 1.034 141 N CA 2.757 55.891 53.050 0.141 0.000 0.861 141 N CB -0.061 38.529 38.487 0.172 0.000 1.039 141 N HN 0.919 nan 8.380 nan 0.000 0.427 142 T N -0.351 114.330 114.554 0.211 0.000 2.746 142 T HA -0.044 4.320 4.350 0.023 0.000 0.267 142 T C 2.322 177.125 174.700 0.171 0.000 1.039 142 T CA 1.219 63.430 62.100 0.185 0.000 1.142 142 T CB -0.584 68.374 68.868 0.150 0.000 0.866 142 T HN 0.243 nan 8.240 nan 0.000 0.444 143 I N 1.923 122.600 120.570 0.180 0.000 2.226 143 I HA -0.117 4.067 4.170 0.023 0.000 0.245 143 I C 3.197 179.398 176.117 0.141 0.000 1.100 143 I CA 1.207 62.615 61.300 0.179 0.000 1.374 143 I CB -0.584 37.544 38.000 0.212 0.000 1.057 143 I HN 0.338 nan 8.210 nan 0.000 0.413 144 A N 0.047 122.912 122.820 0.075 0.000 1.933 144 A HA -0.238 4.095 4.320 0.023 0.000 0.218 144 A C 2.263 179.936 177.584 0.147 0.000 1.175 144 A CA 1.448 53.519 52.037 0.057 0.000 0.628 144 A CB -0.533 18.466 19.000 -0.002 0.000 0.814 144 A HN 0.465 nan 8.150 nan 0.000 0.444 145 Q N -0.757 119.139 119.800 0.159 0.000 2.079 145 Q HA -0.095 4.259 4.340 0.023 0.000 0.200 145 Q C 2.471 178.601 176.000 0.217 0.000 0.974 145 Q CA 1.267 57.197 55.803 0.211 0.000 0.840 145 Q CB -0.358 28.524 28.738 0.240 0.000 0.898 145 Q HN 0.684 nan 8.270 nan 0.000 0.430 146 A N 0.418 123.359 122.820 0.202 0.000 1.902 146 A HA -0.177 4.157 4.320 0.023 0.000 0.217 146 A C 1.747 179.455 177.584 0.208 0.000 1.181 146 A CA 1.124 53.275 52.037 0.190 0.000 0.623 146 A CB -0.629 18.490 19.000 0.198 0.000 0.818 146 A HN 0.403 nan 8.150 nan 0.000 0.443 147 F N 1.047 121.044 119.950 0.079 0.000 2.615 147 F HA 0.014 4.554 4.527 0.021 0.000 0.297 147 F C 2.244 178.072 175.800 0.047 0.000 1.124 147 F CA 1.305 59.329 58.000 0.040 0.000 1.451 147 F CB 0.190 39.195 39.000 0.008 0.000 1.103 147 F HN 0.276 nan 8.300 nan 0.000 0.569 148 S N -1.396 114.415 115.700 0.185 0.000 2.540 148 S HA 0.342 4.826 4.470 0.023 0.000 0.218 148 S C 1.687 176.367 174.600 0.133 0.000 0.977 148 S CA 0.280 58.592 58.200 0.185 0.000 0.918 148 S CB 0.035 63.367 63.200 0.220 0.000 0.806 148 S HN 0.570 nan 8.310 nan 0.000 0.496 149 G N 0.509 109.361 108.800 0.087 0.000 2.162 149 G HA2 -0.391 3.583 3.960 0.023 0.000 0.260 149 G HA3 -0.391 3.583 3.960 0.023 0.000 0.260 149 G C 0.321 175.282 174.900 0.102 0.000 0.976 149 G CA 0.525 45.657 45.100 0.054 0.000 0.655 149 G HN 0.544 nan 8.290 nan 0.000 0.533 150 Y N 0.122 120.444 120.300 0.037 0.000 2.206 150 Y HA 0.306 4.866 4.550 0.016 0.000 0.292 150 Y C 2.732 178.659 175.900 0.044 0.000 1.123 150 Y CA 2.000 60.127 58.100 0.045 0.000 1.142 150 Y CB -0.287 38.211 38.460 0.064 0.000 1.006 150 Y HN 0.292 nan 8.280 nan 0.000 0.518 151 L N -0.692 120.641 121.223 0.184 0.000 2.012 151 L HA -0.221 4.133 4.340 0.023 0.000 0.210 151 L C 2.230 179.106 176.870 0.010 0.000 1.073 151 L CA 1.455 56.359 54.840 0.107 0.000 0.748 151 L CB -0.475 41.661 42.059 0.129 0.000 0.891 151 L HN 0.295 nan 8.230 nan 0.000 0.431 152 I N -0.130 120.437 120.570 -0.005 0.000 2.567 152 I HA -0.309 3.874 4.170 0.023 0.000 0.257 152 I C 2.265 178.332 176.117 -0.085 0.000 1.184 152 I CA 1.557 62.831 61.300 -0.044 0.000 1.451 152 I CB -0.274 37.695 38.000 -0.051 0.000 1.089 152 I HN 0.397 nan 8.210 nan 0.000 0.441 153 Q N -0.394 119.336 119.800 -0.117 0.000 2.398 153 Q HA 0.062 4.415 4.340 0.023 0.000 0.204 153 Q C 0.478 176.376 176.000 -0.170 0.000 0.932 153 Q CA 0.107 55.815 55.803 -0.159 0.000 0.916 153 Q CB 0.050 28.666 28.738 -0.204 0.000 1.024 153 Q HN 0.528 nan 8.270 nan 0.000 0.504 154 N N 0.158 118.766 118.700 -0.153 0.000 2.495 154 N HA 0.357 5.111 4.740 0.023 0.000 0.280 154 N C 0.274 175.738 175.510 -0.076 0.000 1.168 154 N CA 0.852 53.833 53.050 -0.116 0.000 0.978 154 N CB 1.523 39.965 38.487 -0.075 0.000 1.191 154 N HN 0.218 nan 8.380 nan 0.000 0.497 155 G N 0.848 109.609 108.800 -0.066 0.000 2.548 155 G HA2 -0.195 3.778 3.960 0.023 0.000 0.208 155 G HA3 -0.195 3.778 3.960 0.023 0.000 0.208 155 G C -1.121 173.737 174.900 -0.071 0.000 1.308 155 G CA -0.597 44.467 45.100 -0.060 0.000 0.924 155 G HN 0.562 nan 8.290 nan 0.000 0.540 156 D N -1.118 119.243 120.400 -0.064 0.000 2.332 156 D HA 0.572 5.225 4.640 0.023 0.000 0.252 156 D C 2.079 178.340 176.300 -0.064 0.000 1.050 156 D CA 0.055 54.016 54.000 -0.065 0.000 0.970 156 D CB 1.692 42.459 40.800 -0.055 0.000 1.141 156 D HN 0.412 nan 8.370 nan 0.000 0.485 157 V N 1.161 121.036 119.914 -0.064 0.000 2.252 157 V HA -0.253 3.880 4.120 0.023 0.000 0.255 157 V C 1.065 177.128 176.094 -0.053 0.000 1.071 157 V CA 2.027 64.290 62.300 -0.062 0.000 1.050 157 V CB -0.258 31.533 31.823 -0.053 0.000 0.654 157 V HN 0.583 nan 8.190 nan 0.000 0.448 158 D N -1.013 119.360 120.400 -0.044 0.000 2.501 158 D HA 0.247 4.900 4.640 0.023 0.000 0.226 158 D C 0.409 176.688 176.300 -0.035 0.000 1.198 158 D CA 0.145 54.123 54.000 -0.037 0.000 0.830 158 D CB 0.844 41.626 40.800 -0.030 0.000 1.014 158 D HN 0.414 nan 8.370 nan 0.000 0.496 159 Q N 1.421 121.198 119.800 -0.040 0.000 2.650 159 Q HA 0.257 4.610 4.340 0.023 0.000 0.239 159 Q C -2.790 173.187 176.000 -0.039 0.000 0.893 159 Q CA -1.511 54.270 55.803 -0.036 0.000 0.755 159 Q CB 2.262 30.978 28.738 -0.036 0.000 1.349 159 Q HN -0.123 nan 8.270 nan 0.000 0.461 163 A N 0.881 123.836 122.820 0.224 0.000 2.445 163 A HA 0.606 4.939 4.320 0.023 0.000 0.242 163 A C -0.739 176.977 177.584 0.220 0.000 1.075 163 A CA 0.209 52.380 52.037 0.224 0.000 0.777 163 A CB 0.013 19.212 19.000 0.332 0.000 1.013 163 A HN 0.484 nan 8.150 nan 0.000 0.493 164 F N 2.471 122.396 119.950 -0.041 0.000 2.588 164 F HA 0.653 5.193 4.527 0.022 0.000 0.314 164 F C -2.097 173.594 175.800 -0.182 0.000 1.069 164 F CA -1.803 56.101 58.000 -0.160 0.000 0.931 164 F CB 2.341 41.239 39.000 -0.170 0.000 1.260 164 F HN 0.467 nan 8.300 nan 0.000 0.465 165 P HA 0.288 nan 4.420 nan 0.000 0.297 165 P C -1.557 175.247 177.300 -0.826 0.000 1.342 165 P CA -0.103 61.970 63.100 -1.711 0.000 0.801 165 P CB 0.414 31.212 31.700 -1.504 0.000 0.920 166 Y N 0.249 120.356 120.300 -0.321 0.000 3.389 166 Y HA -0.255 4.308 4.550 0.022 0.000 0.213 166 Y C 1.704 177.612 175.900 0.012 0.000 1.272 166 Y CA 0.907 58.948 58.100 -0.099 0.000 1.444 166 Y CB -3.251 35.129 38.460 -0.134 0.000 1.445 166 Y HN 0.320 nan 8.280 nan 0.000 0.583 167 T N -1.164 113.442 114.554 0.087 0.000 2.737 167 T HA -0.247 4.116 4.350 0.023 0.000 0.269 167 T C 2.063 176.829 174.700 0.109 0.000 1.040 167 T CA 1.843 63.986 62.100 0.072 0.000 1.142 167 T CB -0.228 68.694 68.868 0.090 0.000 0.861 167 T HN 0.713 nan 8.240 nan 0.000 0.456 168 A N 1.602 124.491 122.820 0.116 0.000 1.969 168 A HA -0.115 4.219 4.320 0.023 0.000 0.218 168 A C 2.100 179.701 177.584 0.029 0.000 1.169 168 A CA 1.499 53.592 52.037 0.093 0.000 0.635 168 A CB -0.480 18.549 19.000 0.047 0.000 0.810 168 A HN 0.328 nan 8.150 nan 0.000 0.445 169 D N -1.174 119.187 120.400 -0.064 0.000 2.117 169 D HA -0.133 4.520 4.640 0.023 0.000 0.197 169 D C 1.591 177.673 176.300 -0.362 0.000 0.987 169 D CA 1.348 55.203 54.000 -0.243 0.000 0.829 169 D CB -0.341 40.224 40.800 -0.391 0.000 0.961 169 D HN 0.615 nan 8.370 nan 0.000 0.460 170 Y N -0.307 119.843 120.300 -0.249 0.000 2.220 170 Y HA -0.037 4.525 4.550 0.020 0.000 0.291 170 Y C 2.329 178.118 175.900 -0.185 0.000 1.129 170 Y CA 0.618 58.437 58.100 -0.468 0.000 1.161 170 Y CB -0.694 37.373 38.460 -0.654 0.000 0.997 170 Y HN -0.050 nan 8.280 nan 0.000 0.522 171 F N -0.408 119.547 119.950 0.010 0.000 2.126 171 F HA -0.288 4.250 4.527 0.019 0.000 0.299 171 F C 2.466 178.263 175.800 -0.004 0.000 1.096 171 F CA 1.442 59.441 58.000 -0.002 0.000 1.255 171 F CB -0.263 38.694 39.000 -0.071 0.000 0.997 171 F HN -0.060 nan 8.300 nan 0.000 0.479 172 S N -0.311 115.484 115.700 0.158 0.000 2.357 172 S HA -0.089 4.395 4.470 0.023 0.000 0.221 172 S C 2.346 176.985 174.600 0.066 0.000 1.031 172 S CA 1.014 59.252 58.200 0.063 0.000 0.982 172 S CB -0.971 62.224 63.200 -0.007 0.000 0.853 172 S HN 0.506 nan 8.310 nan 0.000 0.458 173 G N 2.030 110.877 108.800 0.078 0.000 2.446 173 G HA2 -0.195 3.779 3.960 0.023 0.000 0.217 173 G HA3 -0.195 3.779 3.960 0.023 0.000 0.217 173 G C 1.399 176.407 174.900 0.180 0.000 1.168 173 G CA 0.966 46.154 45.100 0.147 0.000 0.771 173 G HN 0.392 nan 8.290 nan 0.000 0.551 174 L N 0.983 122.383 121.223 0.296 0.000 2.042 174 L HA -0.041 4.313 4.340 0.023 0.000 0.210 174 L C 2.959 179.895 176.870 0.111 0.000 1.076 174 L CA 2.564 57.526 54.840 0.203 0.000 0.749 174 L CB -0.984 41.247 42.059 0.287 0.000 0.893 174 L HN 0.207 nan 8.230 nan 0.000 0.432 175 T N -0.280 114.351 114.554 0.128 0.000 2.720 175 T HA -0.183 4.181 4.350 0.023 0.000 0.268 175 T C 1.899 176.634 174.700 0.059 0.000 1.037 175 T CA 1.348 63.499 62.100 0.086 0.000 1.144 175 T CB -0.507 68.401 68.868 0.067 0.000 0.864 175 T HN 0.538 nan 8.240 nan 0.000 0.444 176 A N 1.288 124.137 122.820 0.049 0.000 1.902 176 A HA -0.131 4.203 4.320 0.023 0.000 0.217 176 A C 2.559 180.185 177.584 0.070 0.000 1.181 176 A CA 2.097 54.160 52.037 0.042 0.000 0.623 176 A CB -1.262 17.745 19.000 0.012 0.000 0.818 176 A HN 0.479 nan 8.150 nan 0.000 0.443 177 T N 0.037 114.608 114.554 0.029 0.000 2.684 177 T HA -0.143 4.221 4.350 0.023 0.000 0.267 177 T C 2.020 176.719 174.700 -0.001 0.000 1.036 177 T CA 2.055 64.130 62.100 -0.041 0.000 1.148 177 T CB -0.646 68.023 68.868 -0.332 0.000 0.863 177 T HN 0.592 nan 8.240 nan 0.000 0.436 178 T N 2.067 116.633 114.554 0.021 0.000 2.708 178 T HA -0.013 4.350 4.350 0.023 0.000 0.266 178 T C 2.436 177.186 174.700 0.083 0.000 1.037 178 T CA 1.187 63.321 62.100 0.057 0.000 1.146 178 T CB -0.612 68.295 68.868 0.066 0.000 0.865 178 T HN 0.434 nan 8.240 nan 0.000 0.435 179 A N 1.446 124.316 122.820 0.083 0.000 1.933 179 A HA 0.186 4.520 4.320 0.023 0.000 0.218 179 A C 2.639 180.294 177.584 0.118 0.000 1.175 179 A CA 1.797 53.887 52.037 0.089 0.000 0.628 179 A CB -1.082 17.963 19.000 0.075 0.000 0.814 179 A HN 0.510 nan 8.150 nan 0.000 0.444 180 A N -0.210 122.698 122.820 0.147 0.000 1.898 180 A HA -0.012 4.321 4.320 0.023 0.000 0.216 180 A C 2.155 179.869 177.584 0.217 0.000 1.181 180 A CA 1.428 53.576 52.037 0.185 0.000 0.620 180 A CB -0.620 18.526 19.000 0.243 0.000 0.819 180 A HN 0.461 nan 8.150 nan 0.000 0.442 181 L N -0.664 120.706 121.223 0.245 0.000 2.042 181 L HA -0.227 4.127 4.340 0.023 0.000 0.210 181 L C 3.104 180.077 176.870 0.171 0.000 1.076 181 L CA 1.091 56.062 54.840 0.218 0.000 0.749 181 L CB -0.579 41.587 42.059 0.178 0.000 0.893 181 L HN 0.448 nan 8.230 nan 0.000 0.432 182 A N 0.080 122.982 122.820 0.137 0.000 1.883 182 A HA -0.205 4.129 4.320 0.023 0.000 0.217 182 A C 2.535 180.214 177.584 0.158 0.000 1.186 182 A CA 1.867 53.977 52.037 0.123 0.000 0.624 182 A CB -0.798 18.253 19.000 0.086 0.000 0.822 182 A HN 0.405 nan 8.150 nan 0.000 0.444 183 A N -0.775 122.129 122.820 0.140 0.000 1.972 183 A HA -0.021 4.312 4.320 0.023 0.000 0.219 183 A C 2.130 179.789 177.584 0.125 0.000 1.169 183 A CA 1.689 53.804 52.037 0.130 0.000 0.635 183 A CB -0.560 18.518 19.000 0.130 0.000 0.810 183 A HN 0.667 nan 8.150 nan 0.000 0.446 184 L N -0.750 120.556 121.223 0.139 0.000 2.056 184 L HA -0.183 4.171 4.340 0.023 0.000 0.207 184 L C 2.423 179.354 176.870 0.101 0.000 1.078 184 L CA 2.545 57.454 54.840 0.115 0.000 0.749 184 L CB -0.706 41.434 42.059 0.134 0.000 0.901 184 L HN 0.647 nan 8.230 nan 0.000 0.433 185 H N -0.342 118.763 119.070 0.059 0.000 2.352 185 H HA -0.249 4.324 4.556 0.028 0.000 0.299 185 H C 2.114 177.461 175.328 0.031 0.000 1.097 185 H CA 2.154 58.228 56.048 0.043 0.000 1.311 185 H CB 0.283 30.071 29.762 0.043 0.000 1.377 185 H HN 0.222 nan 8.280 nan 0.000 0.504 186 K N 0.609 121.038 120.400 0.050 0.000 2.097 186 K HA -0.062 4.271 4.320 0.023 0.000 0.206 186 K C 2.352 178.919 176.600 -0.056 0.000 1.049 186 K CA 1.262 57.547 56.287 -0.004 0.000 0.933 186 K CB -0.525 32.016 32.500 0.068 0.000 0.717 186 K HN 0.147 nan 8.250 nan 0.000 0.442 187 V N 1.385 121.283 119.914 -0.027 0.000 2.295 187 V HA -0.246 3.887 4.120 0.023 0.000 0.246 187 V C 2.382 178.437 176.094 -0.067 0.000 1.049 187 V CA 1.840 64.120 62.300 -0.033 0.000 1.024 187 V CB -0.490 31.334 31.823 0.002 0.000 0.648 187 V HN 0.294 nan 8.190 nan 0.000 0.447 188 R N 0.061 120.503 120.500 -0.097 0.000 2.120 188 R HA -0.109 4.244 4.340 0.023 0.000 0.234 188 R C 2.131 178.346 176.300 -0.143 0.000 1.123 188 R CA 1.054 57.083 56.100 -0.117 0.000 0.975 188 R CB -0.480 29.742 30.300 -0.129 0.000 0.866 188 R HN 0.576 nan 8.270 nan 0.000 0.446 189 E N -0.481 119.604 120.200 -0.191 0.000 2.112 189 E HA -0.055 4.309 4.350 0.023 0.000 0.190 189 E C 1.674 178.223 176.600 -0.084 0.000 0.979 189 E CA 1.718 58.031 56.400 -0.145 0.000 0.814 189 E CB 0.096 29.699 29.700 -0.162 0.000 0.762 189 E HN 0.479 nan 8.360 nan 0.000 0.460 190 T N -4.512 109.997 114.554 -0.075 0.000 2.975 190 T HA 0.338 4.701 4.350 0.023 0.000 0.261 190 T C 1.509 176.172 174.700 -0.062 0.000 0.984 190 T CA 0.699 62.764 62.100 -0.060 0.000 0.911 190 T CB 0.801 69.637 68.868 -0.054 0.000 1.127 190 T HN 0.192 nan 8.240 nan 0.000 0.514 191 G N 1.662 110.424 108.800 -0.062 0.000 2.189 191 G HA2 -0.297 3.677 3.960 0.023 0.000 0.267 191 G HA3 -0.297 3.677 3.960 0.023 0.000 0.267 191 G C -0.072 174.782 174.900 -0.078 0.000 0.975 191 G CA 0.607 45.671 45.100 -0.060 0.000 0.644 191 G HN 0.850 nan 8.290 nan 0.000 0.537 192 K N 0.680 121.024 120.400 -0.095 0.000 2.206 192 K HA 0.587 4.920 4.320 0.023 0.000 0.264 192 K C 1.243 177.757 176.600 -0.142 0.000 0.967 192 K CA -0.040 56.153 56.287 -0.156 0.000 0.844 192 K CB 0.692 33.088 32.500 -0.174 0.000 1.099 192 K HN 0.253 nan 8.250 nan 0.000 0.441 193 G N 1.964 110.639 108.800 -0.208 0.000 2.631 193 G HA2 0.164 4.138 3.960 0.023 0.000 0.271 193 G HA3 0.164 4.138 3.960 0.023 0.000 0.271 193 G C -0.772 174.134 174.900 0.010 0.000 1.302 193 G CA 0.097 45.179 45.100 -0.029 0.000 1.002 193 G HN 0.599 nan 8.290 nan 0.000 0.519 194 E N -2.014 118.392 120.200 0.344 0.000 2.392 194 E HA 0.528 4.891 4.350 0.023 0.000 0.279 194 E C -1.260 175.667 176.600 0.544 0.000 0.964 194 E CA -0.648 55.971 56.400 0.365 0.000 0.777 194 E CB 1.905 31.721 29.700 0.192 0.000 1.249 194 E HN 0.482 nan 8.360 nan 0.000 0.449 195 S N 3.172 119.166 115.700 0.490 0.000 2.519 195 S HA 0.714 5.197 4.470 0.023 0.000 0.309 195 S C -1.045 173.716 174.600 0.269 0.000 1.100 195 S CA -0.632 57.788 58.200 0.366 0.000 1.059 195 S CB 0.209 63.617 63.200 0.346 0.000 1.008 195 S HN 0.438 nan 8.310 nan 0.000 0.478 196 I N 3.664 124.378 120.570 0.239 0.000 2.406 196 I HA 0.364 4.548 4.170 0.023 0.000 0.290 196 I C -0.905 175.320 176.117 0.180 0.000 0.999 196 I CA -0.724 60.679 61.300 0.173 0.000 1.124 196 I CB 1.914 39.987 38.000 0.122 0.000 1.289 196 I HN 0.513 nan 8.210 nan 0.000 0.441 197 D N 7.909 128.392 120.400 0.138 0.000 2.473 197 D HA 0.395 5.049 4.640 0.023 0.000 0.226 197 D C -0.709 175.626 176.300 0.060 0.000 1.089 197 D CA -0.303 53.764 54.000 0.111 0.000 0.883 197 D CB 0.608 41.483 40.800 0.126 0.000 1.029 197 D HN 0.292 nan 8.370 nan 0.000 0.517 198 I N 3.246 123.842 120.570 0.045 0.000 2.287 198 I HA 0.443 4.627 4.170 0.023 0.000 0.290 198 I C 0.815 176.910 176.117 -0.037 0.000 1.069 198 I CA -0.383 60.915 61.300 -0.004 0.000 1.237 198 I CB 1.254 39.256 38.000 0.002 0.000 1.418 198 I HN 0.329 nan 8.210 nan 0.000 0.481 202 E N 1.764 121.543 120.200 -0.702 0.000 2.107 202 E HA 0.043 4.407 4.350 0.023 0.000 0.191 202 E C 0.812 177.277 176.600 -0.225 0.000 0.982 202 E CA 1.075 57.186 56.400 -0.482 0.000 0.809 202 E CB 0.227 29.603 29.700 -0.539 0.000 0.756 202 E HN 0.226 nan 8.360 nan 0.000 0.459 209 Q N -0.312 119.561 119.800 0.122 0.000 2.424 209 Q HA 0.155 4.509 4.340 0.023 0.000 0.204 209 Q C 1.574 177.601 176.000 0.044 0.000 0.933 209 Q CA -0.079 55.783 55.803 0.099 0.000 0.929 209 Q CB 0.055 28.852 28.738 0.099 0.000 1.037 209 Q HN 0.666 nan 8.270 nan 0.000 0.511 210 Y N 0.231 120.463 120.300 -0.112 0.000 2.069 210 Y HA -0.259 4.292 4.550 0.002 0.000 0.278 210 Y C 0.394 176.032 175.900 -0.438 0.000 1.175 210 Y CA 1.363 59.271 58.100 -0.320 0.000 1.134 210 Y CB 0.124 38.280 38.460 -0.507 0.000 0.965 210 Y HN -0.052 nan 8.280 nan 0.000 0.498 215 Y N 1.554 121.818 120.300 -0.059 0.000 2.145 215 Y HA -0.153 4.409 4.550 0.020 0.000 0.286 215 Y C 1.920 177.806 175.900 -0.023 0.000 1.145 215 Y CA 1.839 59.877 58.100 -0.103 0.000 1.148 215 Y CB -0.311 38.008 38.460 -0.236 0.000 0.981 215 Y HN -0.123 nan 8.280 nan 0.000 0.507 216 F N 0.375 120.303 119.950 -0.038 0.000 2.365 216 F HA -0.103 4.434 4.527 0.015 0.000 0.300 216 F C 1.118 176.835 175.800 -0.138 0.000 1.090 216 F CA 1.011 58.954 58.000 -0.096 0.000 1.408 216 F CB -0.458 38.564 39.000 0.036 0.000 1.060 216 F HN 0.164 nan 8.300 nan 0.000 0.534 217 N N -0.586 118.151 118.700 0.062 0.000 2.541 217 N HA 0.276 5.030 4.740 0.023 0.000 0.297 217 N C 1.281 176.774 175.510 -0.028 0.000 1.503 217 N CA 0.789 53.851 53.050 0.020 0.000 0.919 217 N CB 0.991 39.508 38.487 0.049 0.000 1.305 217 N HN 0.301 nan 8.380 nan 0.000 0.501 218 G N -0.584 108.163 108.800 -0.089 0.000 2.254 218 G HA2 -0.228 3.746 3.960 0.023 0.000 0.225 218 G HA3 -0.228 3.746 3.960 0.023 0.000 0.225 218 G C 0.522 175.387 174.900 -0.058 0.000 1.003 218 G CA -0.105 44.951 45.100 -0.075 0.000 0.622 218 G HN 0.581 nan 8.290 nan 0.000 0.507 219 G N -0.569 108.210 108.800 -0.035 0.000 2.574 219 G HA2 0.615 4.589 3.960 0.023 0.000 0.248 219 G HA3 0.615 4.589 3.960 0.023 0.000 0.248 219 G C -0.128 174.806 174.900 0.057 0.000 1.422 219 G CA 0.030 45.139 45.100 0.016 0.000 1.051 219 G HN 0.334 nan 8.290 nan 0.000 0.560 223 P HA 0.408 nan 4.420 nan 0.000 0.275 223 P C -0.334 176.811 177.300 -0.260 0.000 1.266 223 P CA -0.161 62.808 63.100 -0.219 0.000 0.793 223 P CB 0.510 32.123 31.700 -0.145 0.000 1.074 227 K N 3.172 123.529 120.400 -0.072 0.000 3.071 227 K HA -0.217 4.117 4.320 0.023 0.000 0.262 227 K C 0.995 177.530 176.600 -0.109 0.000 0.977 227 K CA 1.114 57.356 56.287 -0.076 0.000 0.721 227 K CB -1.857 30.612 32.500 -0.052 0.000 1.293 227 K HN 1.792 nan 8.250 nan 0.000 0.475 228 G N -0.471 108.264 108.800 -0.108 0.000 2.179 228 G HA2 -0.354 3.619 3.960 0.023 0.000 0.260 228 G HA3 -0.354 3.619 3.960 0.023 0.000 0.260 228 G C -0.060 174.776 174.900 -0.107 0.000 0.977 228 G CA 0.574 45.606 45.100 -0.113 0.000 0.641 228 G HN 0.340 nan 8.290 nan 0.000 0.533 229 K N 1.021 121.348 120.400 -0.121 0.000 2.174 229 K HA 0.277 4.610 4.320 0.023 0.000 0.275 229 K C 0.048 176.622 176.600 -0.043 0.000 1.015 229 K CA -0.663 55.561 56.287 -0.104 0.000 0.933 229 K CB 0.969 33.380 32.500 -0.147 0.000 1.025 229 K HN 0.268 nan 8.250 nan 0.000 0.463 230 D N 3.425 123.838 120.400 0.021 0.000 2.488 230 D HA -0.036 4.618 4.640 0.023 0.000 0.238 230 D C -1.473 174.805 176.300 -0.036 0.000 1.138 230 D CA -1.108 52.910 54.000 0.029 0.000 0.873 230 D CB 1.076 41.967 40.800 0.152 0.000 1.183 230 D HN 0.248 nan 8.370 nan 0.000 0.458 231 P HA -0.087 nan 4.420 nan 0.000 0.223 231 P C 0.721 177.939 177.300 -0.137 0.000 1.151 231 P CA 1.163 64.118 63.100 -0.242 0.000 0.787 231 P CB 0.153 31.552 31.700 -0.502 0.000 0.788 232 Y N -3.171 116.941 120.300 -0.314 0.000 2.589 232 Y HA 0.156 4.718 4.550 0.019 0.000 0.271 232 Y C 0.474 176.093 175.900 -0.469 0.000 1.107 232 Y CA -0.540 57.289 58.100 -0.451 0.000 1.273 232 Y CB 0.539 38.587 38.460 -0.686 0.000 1.266 232 Y HN -0.241 nan 8.280 nan 0.000 0.504 233 Y N 1.134 121.514 120.300 0.133 0.000 2.331 233 Y HA 0.555 5.118 4.550 0.022 0.000 0.338 233 Y C 0.279 176.233 175.900 0.090 0.000 0.976 233 Y CA -1.534 56.603 58.100 0.063 0.000 1.137 233 Y CB 0.813 39.290 38.460 0.029 0.000 1.172 233 Y HN -0.082 nan 8.280 nan 0.000 0.478 234 A N 1.919 124.889 122.820 0.250 0.000 2.407 234 A HA 0.498 4.831 4.320 0.023 0.000 0.248 234 A C 1.292 179.018 177.584 0.237 0.000 1.082 234 A CA 0.314 52.489 52.037 0.229 0.000 0.785 234 A CB -0.491 18.634 19.000 0.209 0.000 1.020 234 A HN 1.535 nan 8.150 nan 0.000 0.489 235 G N -0.344 108.627 108.800 0.284 0.000 2.153 235 G HA2 -0.211 3.763 3.960 0.023 0.000 0.252 235 G HA3 -0.211 3.763 3.960 0.023 0.000 0.252 235 G C 0.097 175.119 174.900 0.203 0.000 0.994 235 G CA 0.304 45.523 45.100 0.199 0.000 0.698 235 G HN 1.212 nan 8.290 nan 0.000 0.521 236 C N -0.133 119.357 119.300 0.316 0.000 2.396 236 C HA 0.939 5.413 4.460 0.023 0.000 0.321 236 C C 1.037 176.195 174.990 0.280 0.000 1.233 236 C CA 0.419 59.584 59.018 0.246 0.000 1.440 236 C CB 0.821 28.663 27.740 0.169 0.000 2.110 236 C HN 2.081 nan 8.230 nan 0.000 0.473 237 G N 2.217 111.173 108.800 0.260 0.000 2.358 237 G HA2 0.131 4.105 3.960 0.023 0.000 0.198 237 G HA3 0.131 4.105 3.960 0.023 0.000 0.198 237 G C -1.470 173.559 174.900 0.215 0.000 1.220 237 G CA -0.492 44.703 45.100 0.160 0.000 1.187 237 G HN 0.848 nan 8.290 nan 0.000 0.544 238 L N 1.018 122.252 121.223 0.019 0.000 2.276 238 L HA 0.839 5.192 4.340 0.023 0.000 0.286 238 L C -0.821 175.990 176.870 -0.100 0.000 1.061 238 L CA -0.729 54.121 54.840 0.016 0.000 0.807 238 L CB 0.482 42.471 42.059 -0.118 0.000 1.177 238 L HN 0.575 nan 8.230 nan 0.000 0.429 239 Y N 3.001 123.418 120.300 0.195 0.000 2.576 239 Y HA 0.525 5.088 4.550 0.021 0.000 0.346 239 Y C -0.408 175.648 175.900 0.260 0.000 1.018 239 Y CA -0.955 57.275 58.100 0.217 0.000 1.050 239 Y CB 1.872 40.453 38.460 0.202 0.000 1.280 239 Y HN 0.384 nan 8.280 nan 0.000 0.474 240 K N 1.489 122.073 120.400 0.307 0.000 2.265 240 K HA 0.565 4.899 4.320 0.023 0.000 0.267 240 K C -1.153 175.500 176.600 0.089 0.000 0.994 240 K CA -0.479 55.869 56.287 0.102 0.000 0.860 240 K CB 1.104 33.583 32.500 -0.036 0.000 1.099 240 K HN 0.540 nan 8.250 nan 0.000 0.448 241 C N 1.038 120.357 119.300 0.032 0.000 2.365 241 C HA 0.324 4.798 4.460 0.023 0.000 0.374 241 C C 2.235 177.187 174.990 -0.064 0.000 1.318 241 C CA -0.412 58.598 59.018 -0.013 0.000 2.239 241 C CB 0.919 28.647 27.740 -0.021 0.000 2.144 241 C HN 1.016 nan 8.230 nan 0.000 0.581 242 A N 1.052 123.823 122.820 -0.083 0.000 1.986 242 A HA -0.167 4.167 4.320 0.023 0.000 0.220 242 A C 1.380 178.912 177.584 -0.086 0.000 1.171 242 A CA 2.513 54.495 52.037 -0.092 0.000 0.640 242 A CB -0.423 18.515 19.000 -0.103 0.000 0.811 242 A HN 0.966 nan 8.150 nan 0.000 0.451 243 D N -3.026 117.327 120.400 -0.078 0.000 2.501 243 D HA 0.433 5.087 4.640 0.023 0.000 0.224 243 D C 0.594 176.848 176.300 -0.077 0.000 1.202 243 D CA 0.710 54.667 54.000 -0.072 0.000 0.829 243 D CB -0.130 40.637 40.800 -0.055 0.000 1.023 243 D HN 0.703 nan 8.370 nan 0.000 0.499 244 G N -0.670 108.068 108.800 -0.104 0.000 2.350 244 G HA2 0.143 4.117 3.960 0.023 0.000 0.282 244 G HA3 0.143 4.117 3.960 0.023 0.000 0.282 244 G C -1.884 172.958 174.900 -0.096 0.000 1.314 244 G CA -1.154 43.862 45.100 -0.140 0.000 0.915 244 G HN -0.028 nan 8.290 nan 0.000 0.499 245 Y N 0.314 120.633 120.300 0.032 0.000 2.309 245 Y HA 0.637 5.201 4.550 0.024 0.000 0.327 245 Y C 1.272 177.214 175.900 0.070 0.000 1.172 245 Y CA 0.113 58.246 58.100 0.054 0.000 1.280 245 Y CB 1.011 39.495 38.460 0.040 0.000 1.234 245 Y HN 0.660 nan 8.280 nan 0.000 0.512 246 I N 0.864 121.618 120.570 0.308 0.000 3.145 246 I HA 0.901 5.084 4.170 0.023 0.000 0.313 246 I C -0.719 175.552 176.117 0.256 0.000 1.122 246 I CA -1.413 60.028 61.300 0.234 0.000 0.987 246 I CB 1.926 40.047 38.000 0.203 0.000 1.236 246 I HN 0.326 nan 8.210 nan 0.000 0.453 250 L N 3.688 124.848 121.223 -0.105 0.000 2.401 250 L HA 0.288 4.642 4.340 0.023 0.000 0.283 250 L C -1.156 175.643 176.870 -0.118 0.000 1.151 250 L CA -0.149 54.602 54.840 -0.148 0.000 0.942 250 L CB 0.329 42.330 42.059 -0.097 0.000 1.283 250 L HN 0.245 nan 8.230 nan 0.000 0.442 251 V N 3.909 123.738 119.914 -0.141 0.000 2.733 251 V HA 0.941 5.074 4.120 0.023 0.000 0.306 251 V C 0.204 176.226 176.094 -0.120 0.000 1.084 251 V CA -0.165 62.061 62.300 -0.123 0.000 0.905 251 V CB 1.338 33.088 31.823 -0.122 0.000 1.010 251 V HN 0.933 nan 8.190 nan 0.000 0.424 252 G N 3.325 112.061 108.800 -0.106 0.000 2.576 252 G HA2 -0.035 3.939 3.960 0.023 0.000 0.686 252 G HA3 -0.035 3.939 3.960 0.023 0.000 0.686 252 G C -0.028 174.804 174.900 -0.114 0.000 1.242 252 G CA -0.274 44.767 45.100 -0.097 0.000 0.819 252 G HN 0.640 nan 8.290 nan 0.000 0.655 253 I N 0.462 120.975 120.570 -0.096 0.000 2.142 253 I HA -0.146 4.038 4.170 0.023 0.000 0.240 253 I C 2.974 179.017 176.117 -0.124 0.000 1.078 253 I CA 2.151 63.388 61.300 -0.106 0.000 1.343 253 I CB -0.518 37.437 38.000 -0.075 0.000 1.046 253 I HN 0.651 nan 8.210 nan 0.000 0.405 254 T N -0.214 114.280 114.554 -0.101 0.000 2.867 254 T HA -0.170 4.194 4.350 0.023 0.000 0.268 254 T C 1.858 176.486 174.700 -0.120 0.000 1.057 254 T CA 1.108 63.151 62.100 -0.096 0.000 1.136 254 T CB -0.172 68.655 68.868 -0.068 0.000 0.874 254 T HN 0.263 nan 8.240 nan 0.000 0.466 255 Q N 0.752 120.470 119.800 -0.136 0.000 2.030 255 Q HA 0.025 4.379 4.340 0.023 0.000 0.204 255 Q C 2.246 178.120 176.000 -0.210 0.000 0.986 255 Q CA 1.407 57.108 55.803 -0.171 0.000 0.843 255 Q CB -0.465 28.163 28.738 -0.183 0.000 0.904 255 Q HN 0.499 nan 8.270 nan 0.000 0.420 256 I N 0.479 120.899 120.570 -0.250 0.000 2.179 256 I HA -0.278 3.905 4.170 0.023 0.000 0.242 256 I C 2.173 178.022 176.117 -0.446 0.000 1.088 256 I CA 1.183 62.241 61.300 -0.403 0.000 1.357 256 I CB -0.342 37.366 38.000 -0.487 0.000 1.051 256 I HN 0.291 nan 8.210 nan 0.000 0.409 257 E N 0.597 120.611 120.200 -0.311 0.000 2.049 257 E HA -0.254 4.110 4.350 0.023 0.000 0.198 257 E C 2.105 178.645 176.600 -0.100 0.000 1.007 257 E CA 1.351 57.633 56.400 -0.197 0.000 0.809 257 E CB -0.148 29.474 29.700 -0.130 0.000 0.749 257 E HN 0.444 nan 8.360 nan 0.000 0.450 258 E N 0.275 120.416 120.200 -0.097 0.000 2.107 258 E HA -0.125 4.239 4.350 0.023 0.000 0.191 258 E C 2.156 178.712 176.600 -0.074 0.000 0.982 258 E CA 0.360 56.722 56.400 -0.064 0.000 0.809 258 E CB -0.720 28.946 29.700 -0.056 0.000 0.756 258 E HN 0.256 nan 8.360 nan 0.000 0.459 259 C N 0.361 119.601 119.300 -0.100 0.000 2.432 259 C HA -0.131 4.343 4.460 0.023 0.000 0.277 259 C C 2.515 177.496 174.990 -0.015 0.000 1.249 259 C CA 0.321 59.264 59.018 -0.125 0.000 1.725 259 C CB -1.315 26.344 27.740 -0.135 0.000 2.028 259 C HN 0.247 nan 8.230 nan 0.000 0.477 260 F N 1.681 121.514 119.950 -0.195 0.000 2.120 260 F HA -0.099 4.442 4.527 0.023 0.000 0.300 260 F C 2.398 178.101 175.800 -0.162 0.000 1.095 260 F CA 1.798 59.694 58.000 -0.174 0.000 1.249 260 F CB -0.878 38.032 39.000 -0.150 0.000 0.995 260 F HN 0.330 nan 8.300 nan 0.000 0.480 261 K N -0.191 120.241 120.400 0.054 0.000 2.032 261 K HA -0.188 4.146 4.320 0.023 0.000 0.209 261 K C 1.735 178.310 176.600 -0.041 0.000 1.048 261 K CA 1.678 57.967 56.287 0.004 0.000 0.927 261 K CB -0.359 32.144 32.500 0.005 0.000 0.712 261 K HN 0.143 nan 8.250 nan 0.000 0.441 262 D N 0.926 121.253 120.400 -0.121 0.000 2.144 262 D HA -0.140 4.514 4.640 0.023 0.000 0.199 262 D C 1.783 177.915 176.300 -0.281 0.000 0.984 262 D CA 1.134 55.012 54.000 -0.203 0.000 0.834 262 D CB -0.077 40.426 40.800 -0.495 0.000 0.955 262 D HN 0.414 nan 8.370 nan 0.000 0.465 263 I N -4.089 116.276 120.570 -0.342 0.000 3.793 263 I HA 0.325 4.509 4.170 0.023 0.000 0.315 263 I C 1.066 177.134 176.117 -0.081 0.000 1.275 263 I CA 0.584 61.740 61.300 -0.240 0.000 1.214 263 I CB 0.328 38.168 38.000 -0.266 0.000 1.018 263 I HN 0.026 nan 8.210 nan 0.000 0.439 264 G N 2.183 110.941 108.800 -0.071 0.000 2.138 264 G HA2 -0.182 3.792 3.960 0.023 0.000 0.193 264 G HA3 -0.182 3.792 3.960 0.023 0.000 0.193 264 G C 0.165 175.031 174.900 -0.056 0.000 0.998 264 G CA 0.077 45.167 45.100 -0.016 0.000 0.668 264 G HN 0.383 nan 8.290 nan 0.000 0.516 265 L N 0.106 121.204 121.223 -0.209 0.000 3.110 265 L HA 0.467 4.821 4.340 0.023 0.000 0.266 265 L C 2.360 179.034 176.870 -0.326 0.000 1.257 265 L CA 0.369 54.925 54.840 -0.473 0.000 1.038 265 L CB 0.253 41.808 42.059 -0.840 0.000 1.395 265 L HN 0.268 nan 8.230 nan 0.000 0.566 266 A N 0.449 123.218 122.820 -0.085 0.000 1.978 266 A HA -0.241 4.092 4.320 0.023 0.000 0.220 266 A C 2.153 179.731 177.584 -0.010 0.000 1.170 266 A CA 1.885 53.928 52.037 0.011 0.000 0.636 266 A CB -0.712 18.317 19.000 0.048 0.000 0.810 266 A HN 0.693 nan 8.150 nan 0.000 0.448 267 H N -0.743 118.323 119.070 -0.007 0.000 2.545 267 H HA 0.088 4.658 4.556 0.023 0.000 0.282 267 H C 1.516 176.831 175.328 -0.023 0.000 1.020 267 H CA 1.109 57.145 56.048 -0.020 0.000 1.243 267 H CB -0.546 29.188 29.762 -0.046 0.000 1.377 267 H HN 0.477 nan 8.280 nan 0.000 0.581 268 L N 0.926 121.920 121.223 -0.382 0.000 2.395 268 L HA 0.113 4.466 4.340 0.023 0.000 0.218 268 L C 0.828 177.715 176.870 0.029 0.000 1.130 268 L CA 0.069 54.803 54.840 -0.176 0.000 0.826 268 L CB -0.057 41.871 42.059 -0.219 0.000 0.941 268 L HN 0.092 nan 8.230 nan 0.000 0.451 269 L N 0.057 121.303 121.223 0.038 0.000 2.397 269 L HA 0.299 4.652 4.340 0.023 0.000 0.271 269 L C 1.239 178.122 176.870 0.022 0.000 1.148 269 L CA 0.145 55.000 54.840 0.025 0.000 0.825 269 L CB 0.449 42.508 42.059 0.001 0.000 1.117 269 L HN 0.243 nan 8.230 nan 0.000 0.456 270 G N 1.157 109.963 108.800 0.010 0.000 2.221 270 G HA2 -0.244 3.730 3.960 0.023 0.000 0.265 270 G HA3 -0.244 3.730 3.960 0.023 0.000 0.265 270 G C 0.155 175.074 174.900 0.031 0.000 1.041 270 G CA 0.371 45.479 45.100 0.013 0.000 0.807 270 G HN 0.836 nan 8.290 nan 0.000 0.502 271 T N -3.836 110.748 114.554 0.050 0.000 2.949 271 T HA 0.737 5.101 4.350 0.023 0.000 0.287 271 T C -1.217 173.522 174.700 0.064 0.000 1.034 271 T CA -1.307 60.834 62.100 0.068 0.000 1.018 271 T CB 2.658 71.591 68.868 0.108 0.000 1.135 271 T HN -0.140 nan 8.240 nan 0.000 0.532 272 P HA -0.035 nan 4.420 nan 0.000 0.218 272 P C 1.010 178.341 177.300 0.051 0.000 1.148 272 P CA 0.999 64.126 63.100 0.044 0.000 0.822 272 P CB 0.101 31.823 31.700 0.036 0.000 0.784 273 E N -1.120 119.138 120.200 0.096 0.000 2.112 273 E HA 0.030 4.393 4.350 0.023 0.000 0.190 273 E C 0.666 177.341 176.600 0.124 0.000 0.979 273 E CA 0.812 57.275 56.400 0.105 0.000 0.814 273 E CB 0.005 29.826 29.700 0.202 0.000 0.762 273 E HN 0.183 nan 8.360 nan 0.000 0.460 274 I N 2.066 122.720 120.570 0.140 0.000 2.668 274 I HA 0.274 4.458 4.170 0.023 0.000 0.276 274 I C -2.574 173.568 176.117 0.042 0.000 1.139 274 I CA -2.249 59.111 61.300 0.100 0.000 1.133 274 I CB 0.774 38.862 38.000 0.146 0.000 1.327 274 I HN -0.207 nan 8.210 nan 0.000 0.520 275 P HA 0.029 nan 4.420 nan 0.000 0.269 275 P C 0.325 177.615 177.300 -0.017 0.000 1.215 275 P CA -0.063 63.040 63.100 0.005 0.000 0.780 275 P CB 0.801 32.500 31.700 -0.001 0.000 0.898 276 E N 1.553 121.743 120.200 -0.017 0.000 2.481 276 E HA 0.016 4.380 4.350 0.023 0.000 0.263 276 E C 1.293 177.872 176.600 -0.035 0.000 0.992 276 E CA 1.647 58.028 56.400 -0.031 0.000 0.938 276 E CB -0.182 29.504 29.700 -0.022 0.000 0.933 276 E HN 0.794 nan 8.360 nan 0.000 0.453 277 G N 3.398 112.168 108.800 -0.049 0.000 2.179 277 G HA2 -0.264 3.710 3.960 0.023 0.000 0.260 277 G HA3 -0.264 3.710 3.960 0.023 0.000 0.260 277 G C 0.473 175.345 174.900 -0.045 0.000 0.977 277 G CA 0.497 45.570 45.100 -0.045 0.000 0.641 277 G HN 0.592 nan 8.290 nan 0.000 0.533 278 T N 0.819 115.339 114.554 -0.056 0.000 2.871 278 T HA 0.312 4.675 4.350 0.023 0.000 0.296 278 T C 1.449 176.111 174.700 -0.063 0.000 0.998 278 T CA 0.991 63.062 62.100 -0.047 0.000 1.162 278 T CB 0.958 69.789 68.868 -0.061 0.000 0.947 278 T HN 0.501 nan 8.240 nan 0.000 0.536 279 Q N 1.435 121.221 119.800 -0.023 0.000 2.350 279 Q HA 0.315 4.669 4.340 0.023 0.000 0.225 279 Q C -0.494 175.495 176.000 -0.019 0.000 0.878 279 Q CA -0.002 55.781 55.803 -0.034 0.000 0.935 279 Q CB 0.599 29.327 28.738 -0.016 0.000 1.099 279 Q HN 0.305 nan 8.270 nan 0.000 0.527 280 L N 0.783 122.039 121.223 0.055 0.000 2.482 280 L HA 0.367 4.721 4.340 0.023 0.000 0.263 280 L C -1.584 175.428 176.870 0.237 0.000 0.957 280 L CA -0.516 54.386 54.840 0.103 0.000 0.836 280 L CB 2.256 44.388 42.059 0.121 0.000 1.324 280 L HN -0.034 nan 8.230 nan 0.000 0.406 281 I N 3.440 124.140 120.570 0.217 0.000 2.297 281 I HA 0.220 4.404 4.170 0.023 0.000 0.291 281 I C -0.325 175.979 176.117 0.312 0.000 1.033 281 I CA -0.522 60.943 61.300 0.275 0.000 1.253 281 I CB 0.652 38.796 38.000 0.240 0.000 1.396 281 I HN 0.539 nan 8.210 nan 0.000 0.476 282 H N 5.618 124.783 119.070 0.158 0.000 2.846 282 H HA 0.272 4.840 4.556 0.021 0.000 0.278 282 H C 1.207 176.539 175.328 0.006 0.000 1.117 282 H CA -0.101 55.980 56.048 0.054 0.000 1.406 282 H CB 0.839 30.598 29.762 -0.005 0.000 1.445 282 H HN 0.376 nan 8.280 nan 0.000 0.469 283 R N 2.953 123.492 120.500 0.065 0.000 2.189 283 R HA -0.025 4.328 4.340 0.023 0.000 0.223 283 R C 0.905 177.222 176.300 0.028 0.000 1.092 283 R CA 1.066 57.209 56.100 0.071 0.000 0.989 283 R CB 0.164 30.510 30.300 0.077 0.000 0.876 283 R HN 0.600 nan 8.270 nan 0.000 0.457 284 I N -0.495 120.060 120.570 -0.025 0.000 2.927 284 I HA -0.084 4.099 4.170 0.023 0.000 0.268 284 I C 1.657 177.738 176.117 -0.060 0.000 1.153 284 I CA 0.588 61.855 61.300 -0.054 0.000 1.459 284 I CB 0.028 37.965 38.000 -0.106 0.000 1.149 284 I HN 0.098 nan 8.210 nan 0.000 0.443 285 E N 0.120 120.283 120.200 -0.061 0.000 2.150 285 E HA -0.153 4.210 4.350 0.023 0.000 0.193 285 E C 0.902 177.475 176.600 -0.045 0.000 0.985 285 E CA 0.508 56.872 56.400 -0.059 0.000 0.814 285 E CB 0.028 29.686 29.700 -0.070 0.000 0.752 285 E HN 0.379 nan 8.360 nan 0.000 0.466 286 C N 2.964 122.262 119.300 -0.003 0.000 2.482 286 C HA 0.157 4.631 4.460 0.023 0.000 0.378 286 C C -1.027 173.919 174.990 -0.074 0.000 1.284 286 C CA -2.008 57.008 59.018 -0.004 0.000 1.826 286 C CB 0.388 28.186 27.740 0.097 0.000 2.473 286 C HN 0.216 nan 8.230 nan 0.000 0.562 287 P HA -0.108 nan 4.420 nan 0.000 0.225 287 P C 0.116 177.217 177.300 -0.332 0.000 1.148 287 P CA 1.582 64.474 63.100 -0.347 0.000 0.779 287 P CB -0.058 31.297 31.700 -0.575 0.000 0.780 288 Y N -0.769 119.556 120.300 0.042 0.000 2.571 288 Y HA 0.375 4.938 4.550 0.022 0.000 0.275 288 Y C 2.391 178.313 175.900 0.038 0.000 1.179 288 Y CA -0.409 57.711 58.100 0.033 0.000 1.242 288 Y CB -0.900 37.577 38.460 0.027 0.000 1.126 288 Y HN -0.081 nan 8.280 nan 0.000 0.524 289 G N 1.824 110.715 108.800 0.152 0.000 2.514 289 G HA2 -0.234 3.739 3.960 0.023 0.000 0.217 289 G HA3 -0.234 3.739 3.960 0.023 0.000 0.217 289 G C -0.480 174.488 174.900 0.113 0.000 1.198 289 G CA 0.864 46.043 45.100 0.132 0.000 0.780 289 G HN 0.275 nan 8.290 nan 0.000 0.565 290 P HA -0.056 nan 4.420 nan 0.000 0.218 290 P C 1.972 179.320 177.300 0.079 0.000 1.148 290 P CA 0.475 63.621 63.100 0.078 0.000 0.822 290 P CB -0.069 31.667 31.700 0.061 0.000 0.784 291 L N -0.619 120.660 121.223 0.093 0.000 2.056 291 L HA -0.116 4.238 4.340 0.023 0.000 0.207 291 L C 2.136 179.003 176.870 -0.005 0.000 1.078 291 L CA 1.758 56.631 54.840 0.055 0.000 0.749 291 L CB -1.132 40.970 42.059 0.072 0.000 0.901 291 L HN -0.197 nan 8.230 nan 0.000 0.433 292 V N -0.065 119.845 119.914 -0.006 0.000 2.332 292 V HA -0.246 3.887 4.120 0.023 0.000 0.248 292 V C 2.639 178.755 176.094 0.036 0.000 1.055 292 V CA 1.861 64.124 62.300 -0.062 0.000 1.038 292 V CB -0.691 31.147 31.823 0.025 0.000 0.651 292 V HN 0.476 nan 8.190 nan 0.000 0.450 293 E N -0.214 120.047 120.200 0.103 0.000 2.106 293 E HA -0.222 4.142 4.350 0.023 0.000 0.192 293 E C 2.189 178.876 176.600 0.145 0.000 0.984 293 E CA 1.105 57.606 56.400 0.169 0.000 0.806 293 E CB -0.211 29.581 29.700 0.153 0.000 0.750 293 E HN 0.739 nan 8.360 nan 0.000 0.458 294 E N 0.878 121.132 120.200 0.090 0.000 2.077 294 E HA -0.190 4.173 4.350 0.023 0.000 0.193 294 E C 1.765 178.413 176.600 0.080 0.000 0.989 294 E CA 1.008 57.455 56.400 0.077 0.000 0.800 294 E CB 0.245 29.975 29.700 0.051 0.000 0.746 294 E HN -0.027 nan 8.360 nan 0.000 0.452 295 K N 0.304 120.731 120.400 0.045 0.000 2.116 295 K HA -0.087 4.247 4.320 0.023 0.000 0.203 295 K C 2.203 178.863 176.600 0.100 0.000 1.052 295 K CA 0.243 56.551 56.287 0.035 0.000 0.952 295 K CB -0.411 32.047 32.500 -0.069 0.000 0.729 295 K HN 0.164 nan 8.250 nan 0.000 0.446 296 L N 2.449 123.731 121.223 0.098 0.000 1.989 296 L HA -0.197 4.157 4.340 0.023 0.000 0.211 296 L C 1.633 178.668 176.870 0.275 0.000 1.071 296 L CA 1.932 56.871 54.840 0.166 0.000 0.749 296 L CB -0.782 41.348 42.059 0.117 0.000 0.890 296 L HN 0.118 nan 8.230 nan 0.000 0.431 297 D N -0.595 119.971 120.400 0.276 0.000 2.104 297 D HA -0.181 4.472 4.640 0.023 0.000 0.194 297 D C 2.159 178.575 176.300 0.193 0.000 0.994 297 D CA 1.601 55.761 54.000 0.267 0.000 0.830 297 D CB -0.159 40.761 40.800 0.199 0.000 0.959 297 D HN 0.440 nan 8.370 nan 0.000 0.452 298 A N -0.229 122.691 122.820 0.167 0.000 1.898 298 A HA -0.144 4.190 4.320 0.023 0.000 0.216 298 A C 2.173 179.843 177.584 0.143 0.000 1.181 298 A CA 1.353 53.463 52.037 0.121 0.000 0.620 298 A CB -1.120 17.941 19.000 0.101 0.000 0.819 298 A HN 0.408 nan 8.150 nan 0.000 0.442 299 W N 0.637 121.956 121.300 0.031 0.000 2.378 299 W HA -0.092 4.581 4.660 0.022 0.000 0.313 299 W C 1.757 178.318 176.519 0.069 0.000 1.197 299 W CA 1.781 59.153 57.345 0.045 0.000 1.304 299 W CB -0.337 29.188 29.460 0.108 0.000 1.148 299 W HN 0.233 nan 8.180 nan 0.000 0.494 300 L N 0.806 122.218 121.223 0.314 0.000 2.079 300 L HA -0.230 4.124 4.340 0.023 0.000 0.210 300 L C 2.663 179.502 176.870 -0.051 0.000 1.081 300 L CA 1.439 56.348 54.840 0.115 0.000 0.752 300 L CB -1.398 40.809 42.059 0.247 0.000 0.896 300 L HN 0.120 nan 8.230 nan 0.000 0.433 301 A N -0.160 122.643 122.820 -0.027 0.000 2.019 301 A HA -0.192 4.141 4.320 0.023 0.000 0.219 301 A C 2.297 179.774 177.584 -0.177 0.000 1.164 301 A CA 2.075 54.068 52.037 -0.074 0.000 0.644 301 A CB -0.779 18.201 19.000 -0.034 0.000 0.805 301 A HN 0.533 nan 8.150 nan 0.000 0.449 302 T N -3.726 110.629 114.554 -0.332 0.000 3.086 302 T HA 0.252 4.616 4.350 0.023 0.000 0.250 302 T C 0.338 174.668 174.700 -0.618 0.000 1.074 302 T CA 0.001 61.824 62.100 -0.462 0.000 0.988 302 T CB -0.377 68.159 68.868 -0.554 0.000 0.988 302 T HN 0.574 nan 8.240 nan 0.000 0.530 303 H N 1.220 120.076 119.070 -0.356 0.000 2.679 303 H HA 0.563 5.132 4.556 0.023 0.000 0.367 303 H C 0.309 175.482 175.328 -0.259 0.000 1.162 303 H CA -0.860 54.959 56.048 -0.380 0.000 1.181 303 H CB 1.771 31.143 29.762 -0.650 0.000 1.693 303 H HN 0.229 nan 8.280 nan 0.000 0.538 304 T N -1.021 113.494 114.554 -0.065 0.000 2.816 304 T HA 0.219 4.582 4.350 0.023 0.000 0.282 304 T C 1.522 176.168 174.700 -0.090 0.000 0.993 304 T CA -0.676 61.379 62.100 -0.075 0.000 0.994 304 T CB 0.759 69.590 68.868 -0.063 0.000 1.025 304 T HN 0.506 nan 8.240 nan 0.000 0.529 305 I N 0.969 121.501 120.570 -0.064 0.000 2.163 305 I HA -0.164 4.019 4.170 0.023 0.000 0.243 305 I C 3.006 179.081 176.117 -0.070 0.000 1.085 305 I CA 1.750 63.018 61.300 -0.053 0.000 1.347 305 I CB -0.817 37.173 38.000 -0.016 0.000 1.044 305 I HN 0.886 nan 8.210 nan 0.000 0.408 306 A N 0.369 123.154 122.820 -0.059 0.000 1.902 306 A HA -0.250 4.084 4.320 0.023 0.000 0.217 306 A C 2.198 179.729 177.584 -0.088 0.000 1.181 306 A CA 1.858 53.862 52.037 -0.055 0.000 0.623 306 A CB -0.642 18.334 19.000 -0.040 0.000 0.818 306 A HN 0.453 nan 8.150 nan 0.000 0.443 307 E N -0.523 119.606 120.200 -0.119 0.000 2.085 307 E HA -0.135 4.228 4.350 0.023 0.000 0.194 307 E C 1.967 178.410 176.600 -0.262 0.000 0.994 307 E CA 1.406 57.698 56.400 -0.181 0.000 0.801 307 E CB -0.237 29.339 29.700 -0.206 0.000 0.743 307 E HN 0.419 nan 8.360 nan 0.000 0.453 308 V N 1.173 120.906 119.914 -0.303 0.000 2.379 308 V HA -0.223 3.911 4.120 0.023 0.000 0.245 308 V C 2.049 177.901 176.094 -0.403 0.000 1.044 308 V CA 1.598 63.624 62.300 -0.456 0.000 1.036 308 V CB -0.327 31.224 31.823 -0.453 0.000 0.664 308 V HN 0.158 nan 8.190 nan 0.000 0.453 309 K N -0.021 120.268 120.400 -0.184 0.000 2.063 309 K HA -0.243 4.090 4.320 0.023 0.000 0.208 309 K C 2.247 178.842 176.600 -0.008 0.000 1.048 309 K CA 1.849 58.106 56.287 -0.050 0.000 0.928 309 K CB -0.175 32.321 32.500 -0.007 0.000 0.713 309 K HN 0.533 nan 8.250 nan 0.000 0.442 310 E N 0.626 120.802 120.200 -0.040 0.000 2.058 310 E HA -0.255 4.108 4.350 0.023 0.000 0.194 310 E C 2.140 178.756 176.600 0.027 0.000 0.997 310 E CA 1.183 57.578 56.400 -0.008 0.000 0.801 310 E CB 0.097 29.780 29.700 -0.029 0.000 0.746 310 E HN 0.007 nan 8.360 nan 0.000 0.450 311 R N -0.111 120.392 120.500 0.006 0.000 2.075 311 R HA -0.104 4.249 4.340 0.023 0.000 0.232 311 R C 2.005 178.470 176.300 0.274 0.000 1.126 311 R CA 1.441 57.605 56.100 0.107 0.000 0.963 311 R CB -0.648 29.727 30.300 0.126 0.000 0.858 311 R HN 0.214 nan 8.270 nan 0.000 0.435 312 F N 0.246 120.232 119.950 0.060 0.000 2.325 312 F HA 0.196 4.737 4.527 0.024 0.000 0.299 312 F C 2.202 178.011 175.800 0.017 0.000 1.090 312 F CA 0.377 58.396 58.000 0.033 0.000 1.392 312 F CB -1.241 37.784 39.000 0.043 0.000 1.053 312 F HN 0.164 nan 8.300 nan 0.000 0.521 313 A N 0.098 123.037 122.820 0.198 0.000 1.858 313 A HA -0.215 4.119 4.320 0.023 0.000 0.216 313 A C 2.185 179.818 177.584 0.082 0.000 1.190 313 A CA 1.704 53.806 52.037 0.108 0.000 0.617 313 A CB -0.900 18.144 19.000 0.073 0.000 0.827 313 A HN 0.321 nan 8.150 nan 0.000 0.443 314 E N -0.319 119.932 120.200 0.085 0.000 2.065 314 E HA -0.200 4.163 4.350 0.023 0.000 0.201 314 E C 1.615 178.246 176.600 0.052 0.000 1.016 314 E CA 1.670 58.108 56.400 0.063 0.000 0.818 314 E CB -0.259 29.483 29.700 0.069 0.000 0.749 314 E HN 0.633 nan 8.360 nan 0.000 0.453 315 L N 0.087 121.353 121.223 0.071 0.000 2.591 315 L HA 0.088 4.442 4.340 0.023 0.000 0.228 315 L C 0.558 177.417 176.870 -0.018 0.000 1.133 315 L CA -0.159 54.692 54.840 0.019 0.000 0.880 315 L CB -0.274 41.791 42.059 0.011 0.000 1.033 315 L HN 0.209 nan 8.230 nan 0.000 0.450 316 N N 0.930 119.634 118.700 0.007 0.000 2.735 316 N HA -0.219 4.535 4.740 0.023 0.000 0.248 316 N C -0.385 175.090 175.510 -0.058 0.000 1.083 316 N CA 0.449 53.491 53.050 -0.014 0.000 0.703 316 N CB -1.157 37.316 38.487 -0.023 0.000 1.005 316 N HN 0.326 nan 8.380 nan 0.000 0.550 317 I N 0.617 121.135 120.570 -0.087 0.000 2.312 317 I HA 0.334 4.518 4.170 0.023 0.000 0.291 317 I C 1.024 177.090 176.117 -0.085 0.000 1.031 317 I CA -0.656 60.512 61.300 -0.219 0.000 1.293 317 I CB 1.123 38.732 38.000 -0.652 0.000 1.403 317 I HN 0.287 nan 8.210 nan 0.000 0.484 318 A N 6.882 129.661 122.820 -0.068 0.000 2.548 318 A HA 0.330 4.663 4.320 0.023 0.000 0.247 318 A C 0.109 177.729 177.584 0.060 0.000 1.067 318 A CA -0.126 51.914 52.037 0.004 0.000 0.757 318 A CB -0.446 18.547 19.000 -0.011 0.000 0.996 318 A HN 0.965 nan 8.150 nan 0.000 0.504 319 C N -0.024 119.358 119.300 0.138 0.000 3.318 319 C HA 1.011 5.485 4.460 0.023 0.000 0.322 319 C C -0.232 174.845 174.990 0.145 0.000 1.398 319 C CA -0.190 58.944 59.018 0.194 0.000 1.339 319 C CB 1.041 29.003 27.740 0.369 0.000 1.668 319 C HN 2.219 nan 8.230 nan 0.000 0.462 320 A N 0.784 123.688 122.820 0.140 0.000 2.594 320 A HA 0.719 5.052 4.320 0.023 0.000 0.296 320 A C -1.051 176.600 177.584 0.112 0.000 1.061 320 A CA -0.464 51.639 52.037 0.110 0.000 0.689 320 A CB 1.024 20.080 19.000 0.093 0.000 1.280 320 A HN 1.173 nan 8.150 nan 0.000 0.406 321 K N 1.044 121.500 120.400 0.092 0.000 2.436 321 K HA 0.363 4.697 4.320 0.023 0.000 0.275 321 K C -0.444 176.212 176.600 0.092 0.000 0.999 321 K CA -0.156 56.186 56.287 0.091 0.000 0.980 321 K CB 0.461 33.001 32.500 0.065 0.000 0.919 321 K HN 0.455 nan 8.250 nan 0.000 0.484 322 V N 6.812 126.791 119.914 0.108 0.000 2.381 322 V HA 0.056 4.190 4.120 0.023 0.000 0.257 322 V C 0.306 176.441 176.094 0.068 0.000 1.057 322 V CA -0.143 62.208 62.300 0.084 0.000 1.013 322 V CB -0.170 31.705 31.823 0.086 0.000 1.069 322 V HN 0.607 nan 8.190 nan 0.000 0.484 323 L N 5.534 126.786 121.223 0.048 0.000 2.349 323 L HA 0.363 4.716 4.340 0.023 0.000 0.275 323 L C 1.038 177.915 176.870 0.012 0.000 1.115 323 L CA -0.189 54.666 54.840 0.024 0.000 0.820 323 L CB 1.122 43.185 42.059 0.008 0.000 1.135 323 L HN 0.710 nan 8.230 nan 0.000 0.445 324 T N -0.888 113.668 114.554 0.004 0.000 2.849 324 T HA 0.214 4.578 4.350 0.023 0.000 0.284 324 T C 1.274 175.957 174.700 -0.029 0.000 1.004 324 T CA -0.927 61.171 62.100 -0.003 0.000 1.021 324 T CB 1.718 70.588 68.868 0.003 0.000 1.013 324 T HN 0.247 nan 8.240 nan 0.000 0.527 325 V N 2.217 122.117 119.914 -0.024 0.000 2.392 325 V HA -0.059 4.075 4.120 0.023 0.000 0.249 325 V C -0.474 175.585 176.094 -0.058 0.000 1.059 325 V CA 1.553 63.829 62.300 -0.039 0.000 1.051 325 V CB -1.627 30.186 31.823 -0.017 0.000 0.658 325 V HN 0.804 nan 8.190 nan 0.000 0.455 326 P HA -0.109 nan 4.420 nan 0.000 0.225 326 P C 1.267 178.526 177.300 -0.068 0.000 1.148 326 P CA 1.047 64.118 63.100 -0.047 0.000 0.779 326 P CB -0.013 31.669 31.700 -0.029 0.000 0.780 327 E N -1.249 118.901 120.200 -0.084 0.000 2.478 327 E HA 0.059 4.422 4.350 0.023 0.000 0.194 327 E C 1.635 178.118 176.600 -0.194 0.000 1.045 327 E CA 0.087 56.426 56.400 -0.101 0.000 0.868 327 E CB -0.217 29.443 29.700 -0.068 0.000 0.885 327 E HN 0.284 nan 8.360 nan 0.000 0.505 328 L N 0.634 121.682 121.223 -0.290 0.000 2.068 328 L HA -0.100 4.253 4.340 0.023 0.000 0.204 328 L C 2.271 178.792 176.870 -0.582 0.000 1.076 328 L CA 1.115 55.565 54.840 -0.649 0.000 0.753 328 L CB -0.324 41.329 42.059 -0.677 0.000 0.910 328 L HN 0.102 nan 8.230 nan 0.000 0.439 329 E N 0.247 120.285 120.200 -0.270 0.000 2.160 329 E HA -0.193 4.170 4.350 0.023 0.000 0.195 329 E C 2.014 178.581 176.600 -0.056 0.000 0.991 329 E CA 1.633 57.966 56.400 -0.111 0.000 0.810 329 E CB 0.032 29.700 29.700 -0.053 0.000 0.742 329 E HN 0.481 nan 8.360 nan 0.000 0.466 330 S N 0.298 115.955 115.700 -0.073 0.000 2.556 330 S HA 0.015 4.498 4.470 0.023 0.000 0.216 330 S C 0.552 175.145 174.600 -0.011 0.000 0.970 330 S CA -0.509 57.675 58.200 -0.026 0.000 0.912 330 S CB -0.064 63.121 63.200 -0.025 0.000 0.790 330 S HN 0.086 nan 8.310 nan 0.000 0.504 331 N N 2.724 121.404 118.700 -0.034 0.000 2.483 331 N HA 0.128 4.881 4.740 0.023 0.000 0.264 331 N C -1.958 173.621 175.510 0.115 0.000 1.197 331 N CA -1.207 51.864 53.050 0.036 0.000 0.927 331 N CB 1.276 39.790 38.487 0.045 0.000 1.065 331 N HN -0.036 nan 8.380 nan 0.000 0.461 332 P HA -0.159 nan 4.420 nan 0.000 0.216 332 P C 1.082 178.442 177.300 0.101 0.000 1.153 332 P CA 1.367 64.516 63.100 0.082 0.000 0.858 332 P CB 0.289 32.023 31.700 0.057 0.000 0.789 333 Q N -1.559 118.315 119.800 0.124 0.000 2.119 333 Q HA -0.164 4.190 4.340 0.023 0.000 0.201 333 Q C 1.973 178.019 176.000 0.077 0.000 0.972 333 Q CA 1.696 57.545 55.803 0.077 0.000 0.847 333 Q CB -1.100 27.666 28.738 0.047 0.000 0.903 333 Q HN 0.294 nan 8.270 nan 0.000 0.433 334 Y N -1.178 119.132 120.300 0.016 0.000 2.145 334 Y HA -0.234 4.331 4.550 0.024 0.000 0.286 334 Y C 2.197 178.111 175.900 0.022 0.000 1.145 334 Y CA 1.286 59.398 58.100 0.020 0.000 1.148 334 Y CB -0.148 38.325 38.460 0.022 0.000 0.981 334 Y HN -0.038 nan 8.280 nan 0.000 0.507 335 V N -0.282 119.744 119.914 0.186 0.000 2.261 335 V HA -0.361 3.773 4.120 0.023 0.000 0.246 335 V C 2.497 178.634 176.094 0.072 0.000 1.047 335 V CA 1.800 64.165 62.300 0.108 0.000 1.015 335 V CB -1.391 30.480 31.823 0.079 0.000 0.642 335 V HN 0.483 nan 8.190 nan 0.000 0.446 336 A N -0.131 122.724 122.820 0.058 0.000 1.940 336 A HA -0.227 4.107 4.320 0.023 0.000 0.219 336 A C 2.293 179.890 177.584 0.023 0.000 1.176 336 A CA 1.888 53.946 52.037 0.034 0.000 0.631 336 A CB -0.446 18.570 19.000 0.026 0.000 0.814 336 A HN 0.551 nan 8.150 nan 0.000 0.446 337 R N -0.826 119.682 120.500 0.014 0.000 2.334 337 R HA 0.147 4.501 4.340 0.023 0.000 0.216 337 R C -0.519 175.787 176.300 0.010 0.000 0.905 337 R CA 0.378 56.474 56.100 -0.007 0.000 1.064 337 R CB 0.032 30.301 30.300 -0.052 0.000 1.046 337 R HN 0.631 nan 8.270 nan 0.000 0.508 338 E N -0.193 120.031 120.200 0.040 0.000 2.269 338 E HA -0.231 4.133 4.350 0.023 0.000 0.223 338 E C 0.280 176.921 176.600 0.068 0.000 1.244 338 E CA 0.409 56.847 56.400 0.063 0.000 0.713 338 E CB -1.235 28.500 29.700 0.057 0.000 1.178 338 E HN 0.203 nan 8.360 nan 0.000 0.370 339 S N -0.542 115.196 115.700 0.063 0.000 2.428 339 S HA 0.000 4.484 4.470 0.023 0.000 0.230 339 S C 0.962 175.642 174.600 0.134 0.000 1.014 339 S CA 0.657 58.876 58.200 0.031 0.000 0.957 339 S CB 0.205 63.306 63.200 -0.165 0.000 0.784 339 S HN 0.306 nan 8.310 nan 0.000 0.499 340 I N 0.796 121.484 120.570 0.196 0.000 2.406 340 I HA 0.382 4.566 4.170 0.023 0.000 0.290 340 I C 0.105 176.320 176.117 0.164 0.000 0.999 340 I CA -0.196 61.222 61.300 0.196 0.000 1.124 340 I CB 2.177 40.296 38.000 0.199 0.000 1.289 340 I HN -0.044 nan 8.210 nan 0.000 0.441 341 T N 4.324 118.997 114.554 0.197 0.000 2.645 341 T HA 0.578 4.942 4.350 0.023 0.000 0.273 341 T C -1.336 173.499 174.700 0.225 0.000 0.960 341 T CA -0.419 61.797 62.100 0.194 0.000 1.051 341 T CB 1.744 70.727 68.868 0.192 0.000 1.366 341 T HN 0.617 nan 8.240 nan 0.000 0.536 342 Q N -0.371 119.562 119.800 0.223 0.000 2.416 342 Q HA 0.639 4.992 4.340 0.023 0.000 0.281 342 Q C -1.802 174.368 176.000 0.284 0.000 1.067 342 Q CA -0.883 54.988 55.803 0.114 0.000 0.809 342 Q CB 2.630 31.361 28.738 -0.012 0.000 1.418 342 Q HN 0.751 nan 8.270 nan 0.000 0.411 343 W N -0.538 120.761 121.300 -0.002 0.000 3.025 343 W HA 0.520 5.194 4.660 0.023 0.000 0.343 343 W C -1.593 174.917 176.519 -0.014 0.000 1.246 343 W CA -0.852 56.486 57.345 -0.012 0.000 1.178 343 W CB 0.773 30.217 29.460 -0.027 0.000 1.463 343 W HN 0.224 nan 8.180 nan 0.000 0.578 344 Q N 2.313 122.215 119.800 0.169 0.000 2.257 344 Q HA 0.284 4.638 4.340 0.023 0.000 0.255 344 Q C 0.627 176.697 176.000 0.116 0.000 0.920 344 Q CA -0.267 55.565 55.803 0.048 0.000 0.927 344 Q CB 1.647 30.420 28.738 0.058 0.000 1.229 344 Q HN 0.629 nan 8.270 nan 0.000 0.433 348 G N 0.472 109.279 108.800 0.012 0.000 2.157 348 G HA2 -0.314 3.659 3.960 0.023 0.000 0.248 348 G HA3 -0.314 3.659 3.960 0.023 0.000 0.248 348 G C 0.155 175.048 174.900 -0.012 0.000 0.979 348 G CA 0.070 45.173 45.100 0.006 0.000 0.650 348 G HN 0.540 nan 8.290 nan 0.000 0.529 349 R N 0.169 120.653 120.500 -0.027 0.000 2.532 349 R HA 0.571 4.925 4.340 0.023 0.000 0.272 349 R C -0.017 176.223 176.300 -0.100 0.000 1.032 349 R CA -0.232 55.836 56.100 -0.054 0.000 1.089 349 R CB 0.726 30.993 30.300 -0.055 0.000 1.098 349 R HN 0.128 nan 8.270 nan 0.000 0.526 350 T N 1.061 115.544 114.554 -0.118 0.000 2.832 350 T HA 0.161 4.524 4.350 0.023 0.000 0.296 350 T C -0.472 174.056 174.700 -0.287 0.000 0.968 350 T CA -0.149 61.842 62.100 -0.182 0.000 1.107 350 T CB 0.531 69.325 68.868 -0.124 0.000 0.916 350 T HN 0.479 nan 8.240 nan 0.000 0.517 351 C N 4.498 123.479 119.300 -0.531 0.000 2.507 351 C HA 0.729 5.202 4.460 0.023 0.000 0.319 351 C C -0.276 174.174 174.990 -0.902 0.000 1.208 351 C CA -0.881 57.683 59.018 -0.756 0.000 1.619 351 C CB 0.710 27.796 27.740 -1.089 0.000 2.230 351 C HN 0.996 nan 8.230 nan 0.000 0.492 352 K N 3.308 123.364 120.400 -0.575 0.000 2.259 352 K HA 0.795 5.129 4.320 0.023 0.000 0.249 352 K C -0.099 176.407 176.600 -0.156 0.000 0.942 352 K CA 0.003 56.093 56.287 -0.327 0.000 0.816 352 K CB 1.771 34.191 32.500 -0.134 0.000 1.155 352 K HN 1.114 nan 8.250 nan 0.000 0.428 353 G N 2.322 111.214 108.800 0.153 0.000 2.320 353 G HA2 0.209 4.183 3.960 0.023 0.000 0.296 353 G HA3 0.209 4.183 3.960 0.023 0.000 0.296 353 G C -3.193 171.932 174.900 0.375 0.000 1.306 353 G CA -0.987 44.311 45.100 0.330 0.000 0.836 353 G HN 0.388 nan 8.290 nan 0.000 0.517 354 P HA 0.128 nan 4.420 nan 0.000 0.266 354 P C 0.017 177.406 177.300 0.148 0.000 1.195 354 P CA -0.275 62.938 63.100 0.188 0.000 0.768 354 P CB 0.533 32.314 31.700 0.136 0.000 0.838 355 N N 2.066 120.836 118.700 0.116 0.000 2.294 355 N HA 0.085 4.838 4.740 0.023 0.000 0.248 355 N C 0.514 176.049 175.510 0.042 0.000 1.300 355 N CA -0.222 52.870 53.050 0.070 0.000 0.925 355 N CB 0.149 38.680 38.487 0.073 0.000 1.188 355 N HN 0.131 nan 8.380 nan 0.000 0.512 359 K N 0.333 120.540 120.400 -0.322 0.000 2.292 359 K HA 0.485 4.819 4.320 0.023 0.000 0.270 359 K C -0.777 175.646 176.600 -0.295 0.000 1.062 359 K CA -0.229 55.935 56.287 -0.204 0.000 0.916 359 K CB 0.319 32.757 32.500 -0.104 0.000 1.166 359 K HN 0.175 nan 8.250 nan 0.000 0.458 360 F N 2.388 122.265 119.950 -0.122 0.000 2.427 360 F HA 0.076 4.617 4.527 0.023 0.000 0.352 360 F C 1.604 177.361 175.800 -0.070 0.000 1.100 360 F CA -0.350 57.571 58.000 -0.133 0.000 1.191 360 F CB 0.949 39.846 39.000 -0.172 0.000 1.128 360 F HN 0.399 nan 8.300 nan 0.000 0.533 361 K N 2.130 122.584 120.400 0.092 0.000 2.007 361 K HA -0.086 4.248 4.320 0.023 0.000 0.206 361 K C 1.398 178.034 176.600 0.060 0.000 1.047 361 K CA 1.626 57.942 56.287 0.049 0.000 0.937 361 K CB -0.134 32.377 32.500 0.018 0.000 0.718 361 K HN 0.477 nan 8.250 nan 0.000 0.438 362 N N 0.430 119.167 118.700 0.061 0.000 2.290 362 N HA -0.045 4.709 4.740 0.023 0.000 0.179 362 N C -0.282 175.253 175.510 0.041 0.000 1.016 362 N CA 0.884 53.957 53.050 0.040 0.000 0.871 362 N CB -0.076 38.425 38.487 0.023 0.000 0.987 362 N HN 0.256 nan 8.380 nan 0.000 0.431 363 N N 0.955 119.682 118.700 0.045 0.000 2.791 363 N HA 0.232 4.985 4.740 0.023 0.000 0.265 363 N C -2.842 172.705 175.510 0.062 0.000 1.580 363 N CA -0.978 52.083 53.050 0.018 0.000 0.809 363 N CB 1.976 40.415 38.487 -0.081 0.000 1.178 363 N HN 0.107 nan 8.380 nan 0.000 0.499 364 P HA 0.092 nan 4.420 nan 0.000 0.271 364 P C 0.669 178.146 177.300 0.294 0.000 1.218 364 P CA 0.051 63.282 63.100 0.219 0.000 0.780 364 P CB 0.764 32.553 31.700 0.149 0.000 0.901 365 G N 1.985 111.010 108.800 0.374 0.000 2.684 365 G HA2 0.425 4.398 3.960 0.023 0.000 0.255 365 G HA3 0.425 4.398 3.960 0.023 0.000 0.255 365 G C -0.474 174.548 174.900 0.203 0.000 1.219 365 G CA -0.329 45.078 45.100 0.511 0.000 0.901 365 G HN 0.741 nan 8.290 nan 0.000 0.548 366 Q N -1.657 118.108 119.800 -0.058 0.000 2.575 366 Q HA 0.481 4.835 4.340 0.023 0.000 0.290 366 Q C -1.528 174.335 176.000 -0.228 0.000 0.963 366 Q CA -0.980 54.665 55.803 -0.263 0.000 0.783 366 Q CB 1.411 29.865 28.738 -0.474 0.000 1.467 366 Q HN 0.402 nan 8.270 nan 0.000 0.402 367 I N 2.959 123.422 120.570 -0.178 0.000 2.291 367 I HA 0.180 4.363 4.170 0.023 0.000 0.292 367 I C 0.474 176.517 176.117 -0.122 0.000 1.064 367 I CA -0.477 60.686 61.300 -0.227 0.000 1.269 367 I CB 0.262 38.053 38.000 -0.350 0.000 1.418 367 I HN 0.729 nan 8.210 nan 0.000 0.485 368 W N 6.142 127.318 121.300 -0.207 0.000 2.993 368 W HA 0.376 5.049 4.660 0.021 0.000 0.290 368 W C 0.154 176.643 176.519 -0.050 0.000 1.203 368 W CA -0.258 57.011 57.345 -0.126 0.000 1.582 368 W CB 0.386 29.777 29.460 -0.115 0.000 1.033 368 W HN 0.325 nan 8.180 nan 0.000 0.594 369 R N 0.825 120.844 120.500 -0.802 0.000 2.626 369 R HA 0.414 4.767 4.340 0.023 0.000 0.274 369 R C 0.296 176.327 176.300 -0.448 0.000 1.031 369 R CA -0.201 55.468 56.100 -0.719 0.000 0.898 369 R CB 2.033 31.482 30.300 -1.419 0.000 1.222 369 R HN 0.003 nan 8.270 nan 0.000 0.455 373 S N -0.344 115.383 115.700 0.045 0.000 2.645 373 S HA 0.299 4.782 4.470 0.023 0.000 0.266 373 S C 0.312 174.898 174.600 -0.024 0.000 1.258 373 S CA -0.303 57.914 58.200 0.029 0.000 0.990 373 S CB 0.312 63.531 63.200 0.031 0.000 0.967 373 S HN 0.715 nan 8.310 nan 0.000 0.556 374 H N 1.074 120.053 119.070 -0.150 0.000 3.091 374 H HA 0.416 4.985 4.556 0.023 0.000 0.289 374 H C 1.171 176.383 175.328 -0.194 0.000 0.995 374 H CA 1.318 57.230 56.048 -0.227 0.000 1.461 374 H CB -0.850 28.818 29.762 -0.156 0.000 1.510 374 H HN 1.220 nan 8.280 nan 0.000 0.546 378 T N 0.920 115.442 114.554 -0.053 0.000 2.684 378 T HA -0.166 4.197 4.350 0.023 0.000 0.267 378 T C 2.099 176.755 174.700 -0.074 0.000 1.036 378 T CA 2.006 64.054 62.100 -0.086 0.000 1.148 378 T CB 0.043 68.835 68.868 -0.126 0.000 0.863 378 T HN 0.318 nan 8.240 nan 0.000 0.436 379 A N 1.286 124.072 122.820 -0.056 0.000 1.873 379 A HA 0.185 4.518 4.320 0.023 0.000 0.215 379 A C 2.644 180.218 177.584 -0.016 0.000 1.186 379 A CA 1.856 53.869 52.037 -0.040 0.000 0.616 379 A CB -1.127 17.856 19.000 -0.029 0.000 0.823 379 A HN 0.512 nan 8.150 nan 0.000 0.442 380 A N -0.180 122.640 122.820 0.000 0.000 1.933 380 A HA -0.064 4.270 4.320 0.023 0.000 0.218 380 A C 2.108 179.693 177.584 0.002 0.000 1.175 380 A CA 1.518 53.563 52.037 0.014 0.000 0.628 380 A CB -0.599 18.425 19.000 0.039 0.000 0.814 380 A HN 0.501 nan 8.150 nan 0.000 0.444 381 I N -0.481 120.082 120.570 -0.012 0.000 2.202 381 I HA -0.245 3.938 4.170 0.023 0.000 0.242 381 I C 2.388 178.494 176.117 -0.018 0.000 1.091 381 I CA 1.093 62.376 61.300 -0.028 0.000 1.368 381 I CB -0.302 37.672 38.000 -0.043 0.000 1.058 381 I HN 0.279 nan 8.210 nan 0.000 0.410 382 L N 0.530 121.731 121.223 -0.036 0.000 2.056 382 L HA -0.223 4.131 4.340 0.023 0.000 0.207 382 L C 2.639 179.581 176.870 0.120 0.000 1.078 382 L CA 1.397 56.222 54.840 -0.026 0.000 0.749 382 L CB -0.555 41.396 42.059 -0.181 0.000 0.901 382 L HN 0.227 nan 8.230 nan 0.000 0.433 383 K N 0.434 120.875 120.400 0.068 0.000 2.057 383 K HA -0.247 4.087 4.320 0.023 0.000 0.207 383 K C 2.002 178.633 176.600 0.052 0.000 1.049 383 K CA 1.642 57.970 56.287 0.070 0.000 0.931 383 K CB -0.190 32.332 32.500 0.037 0.000 0.714 383 K HN 0.276 nan 8.250 nan 0.000 0.440 384 N N 1.375 120.094 118.700 0.031 0.000 2.223 384 N HA -0.155 4.598 4.740 0.023 0.000 0.185 384 N C 1.605 177.125 175.510 0.016 0.000 1.016 384 N CA 1.474 54.530 53.050 0.010 0.000 0.863 384 N CB -0.028 38.452 38.487 -0.012 0.000 0.983 384 N HN 0.484 nan 8.380 nan 0.000 0.429 385 I N -4.220 116.381 120.570 0.052 0.000 3.861 385 I HA 0.408 4.591 4.170 0.023 0.000 0.329 385 I C 0.872 177.018 176.117 0.047 0.000 1.321 385 I CA 0.284 61.617 61.300 0.055 0.000 1.126 385 I CB 0.370 38.415 38.000 0.076 0.000 1.018 385 I HN 0.044 nan 8.210 nan 0.000 0.407 386 G N 0.510 109.334 108.800 0.040 0.000 2.168 386 G HA2 -0.246 3.727 3.960 0.023 0.000 0.197 386 G HA3 -0.246 3.727 3.960 0.023 0.000 0.197 386 G C -0.216 174.618 174.900 -0.110 0.000 0.997 386 G CA -0.496 44.572 45.100 -0.054 0.000 0.658 386 G HN 0.428 nan 8.290 nan 0.000 0.513 387 Y N 2.273 122.557 120.300 -0.027 0.000 2.309 387 Y HA 0.481 5.044 4.550 0.022 0.000 0.327 387 Y C 1.385 177.271 175.900 -0.022 0.000 1.172 387 Y CA 0.403 58.487 58.100 -0.026 0.000 1.280 387 Y CB 1.184 39.626 38.460 -0.030 0.000 1.234 387 Y HN 0.351 nan 8.280 nan 0.000 0.512 388 S N 1.003 116.765 115.700 0.103 0.000 2.632 388 S HA 0.132 4.616 4.470 0.023 0.000 0.271 388 S C 1.083 175.724 174.600 0.069 0.000 1.260 388 S CA -0.653 57.581 58.200 0.057 0.000 1.010 388 S CB 1.347 64.560 63.200 0.022 0.000 0.965 388 S HN 0.870 nan 8.310 nan 0.000 0.534 389 E N 1.285 121.508 120.200 0.038 0.000 2.136 389 E HA -0.286 4.078 4.350 0.023 0.000 0.202 389 E C 1.535 178.149 176.600 0.024 0.000 1.019 389 E CA 2.000 58.415 56.400 0.025 0.000 0.819 389 E CB -0.256 29.452 29.700 0.013 0.000 0.739 389 E HN 0.792 nan 8.360 nan 0.000 0.458 390 N N 0.080 118.796 118.700 0.026 0.000 2.250 390 N HA -0.100 4.653 4.740 0.023 0.000 0.181 390 N C 1.179 176.710 175.510 0.035 0.000 1.017 390 N CA 1.106 54.169 53.050 0.021 0.000 0.866 390 N CB 0.125 38.621 38.487 0.015 0.000 0.985 390 N HN 0.135 nan 8.380 nan 0.000 0.429 391 D N 0.404 120.845 120.400 0.068 0.000 2.123 391 D HA -0.107 4.546 4.640 0.023 0.000 0.196 391 D C 1.822 178.168 176.300 0.078 0.000 0.992 391 D CA 0.844 54.916 54.000 0.121 0.000 0.833 391 D CB -0.147 40.815 40.800 0.270 0.000 0.954 391 D HN 0.337 nan 8.370 nan 0.000 0.455 392 I N 0.409 121.007 120.570 0.047 0.000 2.252 392 I HA -0.262 3.922 4.170 0.023 0.000 0.245 392 I C 2.442 178.535 176.117 -0.040 0.000 1.102 392 I CA 0.797 62.078 61.300 -0.031 0.000 1.385 392 I CB -0.110 37.872 38.000 -0.030 0.000 1.064 392 I HN -0.089 nan 8.210 nan 0.000 0.414 393 Q N 1.225 121.014 119.800 -0.018 0.000 2.124 393 Q HA -0.256 4.098 4.340 0.023 0.000 0.202 393 Q C 1.974 177.959 176.000 -0.024 0.000 0.977 393 Q CA 1.748 57.536 55.803 -0.024 0.000 0.850 393 Q CB -0.223 28.507 28.738 -0.013 0.000 0.901 393 Q HN 0.472 nan 8.270 nan 0.000 0.429 394 E N -0.579 119.614 120.200 -0.011 0.000 2.051 394 E HA -0.174 4.189 4.350 0.023 0.000 0.192 394 E C 1.935 178.518 176.600 -0.028 0.000 0.991 394 E CA 1.103 57.497 56.400 -0.010 0.000 0.799 394 E CB -0.159 29.546 29.700 0.009 0.000 0.748 394 E HN 0.432 nan 8.360 nan 0.000 0.449 395 L N 0.292 121.488 121.223 -0.045 0.000 2.042 395 L HA -0.226 4.127 4.340 0.023 0.000 0.210 395 L C 2.549 179.369 176.870 -0.082 0.000 1.076 395 L CA 0.952 55.745 54.840 -0.078 0.000 0.749 395 L CB -0.362 41.617 42.059 -0.133 0.000 0.893 395 L HN 0.118 nan 8.230 nan 0.000 0.432 396 V N -0.996 118.870 119.914 -0.080 0.000 2.343 396 V HA -0.265 3.869 4.120 0.023 0.000 0.247 396 V C 2.513 178.569 176.094 -0.062 0.000 1.051 396 V CA 2.036 64.287 62.300 -0.081 0.000 1.036 396 V CB -0.366 31.410 31.823 -0.077 0.000 0.654 396 V HN 0.409 nan 8.190 nan 0.000 0.451 397 S N -0.309 115.364 115.700 -0.045 0.000 2.382 397 S HA -0.183 4.300 4.470 0.023 0.000 0.228 397 S C 1.797 176.378 174.600 -0.032 0.000 1.027 397 S CA 1.246 59.426 58.200 -0.033 0.000 0.991 397 S CB -0.280 62.906 63.200 -0.023 0.000 0.823 397 S HN 0.598 nan 8.310 nan 0.000 0.469 398 K N 0.603 120.982 120.400 -0.035 0.000 2.525 398 K HA 0.136 4.470 4.320 0.023 0.000 0.192 398 K C 1.200 177.775 176.600 -0.042 0.000 1.029 398 K CA 0.458 56.726 56.287 -0.032 0.000 1.029 398 K CB -0.139 32.344 32.500 -0.028 0.000 0.814 398 K HN 0.459 nan 8.250 nan 0.000 0.503 399 G N 1.417 110.183 108.800 -0.057 0.000 2.143 399 G HA2 -0.259 3.715 3.960 0.023 0.000 0.248 399 G HA3 -0.259 3.715 3.960 0.023 0.000 0.248 399 G C 0.550 175.392 174.900 -0.098 0.000 0.991 399 G CA 0.070 45.127 45.100 -0.071 0.000 0.689 399 G HN 0.290 nan 8.290 nan 0.000 0.522 400 L N -0.688 120.475 121.223 -0.100 0.000 2.554 400 L HA 0.606 4.960 4.340 0.023 0.000 0.225 400 L C 1.331 178.109 176.870 -0.153 0.000 1.104 400 L CA 0.865 55.634 54.840 -0.118 0.000 0.866 400 L CB 0.110 42.111 42.059 -0.097 0.000 1.047 400 L HN 0.599 nan 8.230 nan 0.000 0.468 401 A N 0.129 122.854 122.820 -0.158 0.000 2.587 401 A HA 0.631 4.964 4.320 0.023 0.000 0.293 401 A C -1.274 176.198 177.584 -0.186 0.000 1.087 401 A CA -0.567 51.362 52.037 -0.181 0.000 0.692 401 A CB 1.976 20.867 19.000 -0.182 0.000 1.291 401 A HN -0.050 nan 8.150 nan 0.000 0.407 402 K N 1.090 121.357 120.400 -0.222 0.000 2.443 402 K HA 0.672 5.006 4.320 0.023 0.000 0.252 402 K C -0.674 175.790 176.600 -0.226 0.000 0.933 402 K CA -0.516 55.623 56.287 -0.247 0.000 0.792 402 K CB 1.904 34.180 32.500 -0.372 0.000 1.185 402 K HN 0.960 nan 8.250 nan 0.000 0.425 403 V N 0.000 119.809 119.914 -0.175 0.000 2.409 403 V HA 0.000 4.134 4.120 0.023 0.000 0.244 403 V CA 0.000 62.219 62.300 -0.136 0.000 1.235 403 V CB 0.000 31.766 31.823 -0.094 0.000 1.184 403 V HN 0.000 nan 8.190 nan 0.000 0.556