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 1uko_1_C DATA FIRST_RESID 6 DATA SEQUENCE NMLLNYVPVY VMLPLGVVNV DNVFEDPDGL KEQLLQLRAA GVDGVMVDVW DATA SEQUENCE WGIIELKGPK QYDWRAYRSL LQLVQECGLT LQAIMSFHQC GGNVGDIVNI DATA SEQUENCE PIPQWVLDIG ESNHDIFYTN RSGTRNKEYL TVGVDNEPIF HGRTAIEIYS DATA SEQUENCE DYMKSFRENM SDFLESGLII DIEVGLGPAG ELRYPSYPQS QGWEFPGIGE DATA SEQUENCE FQCYDKYLKA DFKAAVARAG HPEWELPDDA GKYNDVPEST GFFKSNGTYV DATA SEQUENCE TEKGKFFLTW YSNKLLNHGD QILDEANKAF LGCKVKLAIK VSGIHWWYKV DATA SEQUENCE ENHAAELTAG YYNLNDRDGY RPIARMLSRH HAILNFTCLE MRDSEQPSDA DATA SEQUENCE KSGPQELVQQ VLSGGWREYI RVAGENALPR YDATAYNQII LNARPQGVNN DATA SEQUENCE NGPPKLSMFG VTYLRLSDDL LQKSNFNIFK KFVLKMHADQ DYCANPQKYN DATA SEQUENCE HAITPLKPSA PKIPIEVLLE ATKPTRPFPW LDETDMKVDG 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 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.500 175.510 -0.017 0.000 1.280 6 N CA 0.000 53.035 53.050 -0.024 0.000 0.885 6 N CB 0.000 38.468 38.487 -0.031 0.000 1.341 7 M N 1.220 120.812 119.600 -0.014 0.000 2.279 7 M HA -0.018 4.464 4.480 0.002 0.000 0.264 7 M C 1.677 177.992 176.300 0.025 0.000 1.062 7 M CA 0.927 56.225 55.300 -0.003 0.000 1.099 7 M CB -0.587 32.009 32.600 -0.006 0.000 1.394 7 M HN 0.483 nan 8.290 nan 0.000 0.426 8 L N 0.107 121.336 121.223 0.011 0.000 2.265 8 L HA -0.096 4.245 4.340 0.002 0.000 0.215 8 L C 2.108 179.000 176.870 0.038 0.000 1.117 8 L CA 1.353 56.197 54.840 0.007 0.000 0.782 8 L CB -0.814 41.200 42.059 -0.075 0.000 0.914 8 L HN 0.264 nan 8.230 nan 0.000 0.441 9 L N -1.226 120.010 121.223 0.023 0.000 2.395 9 L HA -0.085 4.257 4.340 0.002 0.000 0.218 9 L C 1.548 178.452 176.870 0.058 0.000 1.130 9 L CA 0.560 55.421 54.840 0.035 0.000 0.826 9 L CB -0.352 41.709 42.059 0.003 0.000 0.941 9 L HN 0.341 nan 8.230 nan 0.000 0.451 10 N N -0.936 117.793 118.700 0.048 0.000 2.280 10 N HA -0.040 4.702 4.740 0.002 0.000 0.192 10 N C -0.036 175.505 175.510 0.052 0.000 1.109 10 N CA -0.066 52.999 53.050 0.026 0.000 0.855 10 N CB 0.508 38.987 38.487 -0.012 0.000 0.974 10 N HN 0.155 nan 8.380 nan 0.000 0.482 11 Y N 2.210 122.459 120.300 -0.084 0.000 2.537 11 Y HA 0.119 4.670 4.550 0.002 0.000 0.339 11 Y C -0.331 175.422 175.900 -0.244 0.000 1.066 11 Y CA -0.211 57.783 58.100 -0.176 0.000 1.357 11 Y CB 0.400 38.708 38.460 -0.253 0.000 1.175 11 Y HN -0.293 nan 8.280 nan 0.000 0.525 12 V N 10.089 129.880 119.914 -0.204 0.000 2.347 12 V HA 0.313 4.434 4.120 0.002 0.000 0.280 12 V C -2.058 173.822 176.094 -0.357 0.000 1.021 12 V CA -2.128 60.065 62.300 -0.178 0.000 0.847 12 V CB 1.265 33.038 31.823 -0.083 0.000 0.990 12 V HN 0.729 nan 8.190 nan 0.000 0.444 13 P HA 0.084 nan 4.420 nan 0.000 0.265 13 P C -0.722 176.400 177.300 -0.296 0.000 1.193 13 P CA 0.230 63.117 63.100 -0.356 0.000 0.765 13 P CB 1.174 32.698 31.700 -0.294 0.000 0.823 14 V N 5.031 124.681 119.914 -0.440 0.000 2.448 14 V HA 0.334 4.455 4.120 0.002 0.000 0.295 14 V C -0.283 175.542 176.094 -0.449 0.000 1.025 14 V CA -0.423 61.678 62.300 -0.331 0.000 0.859 14 V CB 0.752 32.325 31.823 -0.417 0.000 0.988 14 V HN 0.418 nan 8.190 nan 0.000 0.431 15 Y N 2.655 123.066 120.300 0.184 0.000 2.528 15 Y HA 0.748 5.299 4.550 0.002 0.000 0.335 15 Y C -0.005 176.068 175.900 0.289 0.000 1.093 15 Y CA -1.056 57.170 58.100 0.209 0.000 1.134 15 Y CB 2.145 40.709 38.460 0.174 0.000 1.253 15 Y HN 0.331 nan 8.280 nan 0.000 0.478 16 V N 3.334 123.482 119.914 0.391 0.000 2.483 16 V HA 0.261 4.382 4.120 0.002 0.000 0.297 16 V C -0.341 175.909 176.094 0.261 0.000 1.027 16 V CA -0.917 61.600 62.300 0.362 0.000 0.855 16 V CB 1.517 33.522 31.823 0.305 0.000 0.995 16 V HN 0.741 nan 8.190 nan 0.000 0.424 17 M N 5.737 125.469 119.600 0.221 0.000 2.238 17 M HA 0.340 4.821 4.480 0.002 0.000 0.350 17 M C -0.488 175.889 176.300 0.128 0.000 1.321 17 M CA 0.574 55.959 55.300 0.141 0.000 1.097 17 M CB 0.101 32.755 32.600 0.090 0.000 1.713 17 M HN 0.510 nan 8.290 nan 0.000 0.455 18 L N 6.890 128.181 121.223 0.113 0.000 2.472 18 L HA 0.360 4.701 4.340 0.002 0.000 0.260 18 L C -1.960 174.975 176.870 0.108 0.000 1.209 18 L CA -1.975 52.928 54.840 0.105 0.000 0.817 18 L CB 0.024 42.140 42.059 0.095 0.000 1.106 18 L HN 0.560 nan 8.230 nan 0.000 0.479 19 P HA 0.062 nan 4.420 nan 0.000 0.269 19 P C -0.541 176.841 177.300 0.136 0.000 1.209 19 P CA -0.157 63.004 63.100 0.103 0.000 0.776 19 P CB 0.431 32.183 31.700 0.085 0.000 0.876 20 L N 1.729 123.039 121.223 0.145 0.000 2.461 20 L HA 0.235 4.576 4.340 0.002 0.000 0.272 20 L C 1.699 178.671 176.870 0.170 0.000 1.197 20 L CA 0.694 55.656 54.840 0.203 0.000 0.836 20 L CB -0.536 41.627 42.059 0.173 0.000 1.105 20 L HN 0.782 nan 8.230 nan 0.000 0.477 21 G N 1.675 110.611 108.800 0.227 0.000 2.155 21 G HA2 -0.293 3.668 3.960 0.002 0.000 0.257 21 G HA3 -0.293 3.668 3.960 0.002 0.000 0.257 21 G C 0.822 175.807 174.900 0.141 0.000 0.983 21 G CA 0.501 45.691 45.100 0.152 0.000 0.676 21 G HN 0.590 nan 8.290 nan 0.000 0.528 22 V N -0.800 119.205 119.914 0.153 0.000 2.370 22 V HA -0.058 4.064 4.120 0.002 0.000 0.252 22 V C 1.416 177.584 176.094 0.124 0.000 1.068 22 V CA 2.451 64.835 62.300 0.138 0.000 1.061 22 V CB -0.011 31.866 31.823 0.091 0.000 0.656 22 V HN 0.579 nan 8.190 nan 0.000 0.455 23 V N 2.665 122.586 119.914 0.012 0.000 2.357 23 V HA 0.382 4.503 4.120 0.002 0.000 0.284 23 V C -0.048 176.090 176.094 0.073 0.000 1.018 23 V CA -0.568 61.692 62.300 -0.067 0.000 0.841 23 V CB 1.456 32.959 31.823 -0.533 0.000 0.991 23 V HN 0.804 nan 8.190 nan 0.000 0.437 24 N N 4.250 122.998 118.700 0.080 0.000 2.347 24 N HA 0.147 4.888 4.740 0.002 0.000 0.253 24 N C 1.212 176.759 175.510 0.062 0.000 1.274 24 N CA -0.055 53.034 53.050 0.065 0.000 0.941 24 N CB 0.609 39.124 38.487 0.046 0.000 1.200 24 N HN 0.375 nan 8.380 nan 0.000 0.514 25 V N -3.808 116.117 119.914 0.018 0.000 2.660 25 V HA -0.162 3.959 4.120 0.002 0.000 0.257 25 V C 0.432 176.544 176.094 0.030 0.000 1.088 25 V CA 1.842 64.144 62.300 0.004 0.000 1.106 25 V CB -0.745 31.056 31.823 -0.037 0.000 0.686 25 V HN 0.553 nan 8.190 nan 0.000 0.481 26 D N 0.422 120.845 120.400 0.037 0.000 2.325 26 D HA 0.103 4.744 4.640 0.002 0.000 0.225 26 D C 0.927 177.265 176.300 0.064 0.000 1.096 26 D CA 0.300 54.325 54.000 0.042 0.000 0.844 26 D CB -0.506 40.314 40.800 0.032 0.000 0.925 26 D HN 0.559 nan 8.370 nan 0.000 0.513 27 N N 0.443 119.195 118.700 0.087 0.000 2.740 27 N HA -0.180 4.561 4.740 0.002 0.000 0.248 27 N C -1.294 174.274 175.510 0.097 0.000 1.062 27 N CA 0.243 53.360 53.050 0.112 0.000 0.704 27 N CB -1.172 37.386 38.487 0.117 0.000 0.968 27 N HN -0.015 nan 8.380 nan 0.000 0.547 28 V N 1.954 121.921 119.914 0.088 0.000 2.540 28 V HA 0.394 4.515 4.120 0.002 0.000 0.302 28 V C 0.145 176.333 176.094 0.157 0.000 1.035 28 V CA -0.917 61.446 62.300 0.104 0.000 0.873 28 V CB 1.512 33.379 31.823 0.073 0.000 0.992 28 V HN 0.190 nan 8.190 nan 0.000 0.428 29 F N 4.207 124.142 119.950 -0.024 0.000 2.567 29 F HA 0.355 4.883 4.527 0.002 0.000 0.352 29 F C 1.258 177.047 175.800 -0.018 0.000 1.229 29 F CA -0.558 57.416 58.000 -0.043 0.000 1.228 29 F CB -0.237 38.739 39.000 -0.040 0.000 1.568 29 F HN 0.734 nan 8.300 nan 0.000 0.634 30 E N 1.704 121.960 120.200 0.094 0.000 2.012 30 E HA -0.235 4.117 4.350 0.002 0.000 0.197 30 E C 0.132 176.609 176.600 -0.206 0.000 1.007 30 E CA 1.543 57.911 56.400 -0.053 0.000 0.816 30 E CB 0.058 29.763 29.700 0.008 0.000 0.762 30 E HN 0.443 nan 8.360 nan 0.000 0.451 31 D N -0.542 119.728 120.400 -0.217 0.000 2.590 31 D HA 0.081 4.722 4.640 0.002 0.000 0.280 31 D C -1.811 174.263 176.300 -0.376 0.000 1.197 31 D CA -2.006 51.851 54.000 -0.239 0.000 0.967 31 D CB 0.784 41.532 40.800 -0.088 0.000 0.987 31 D HN -0.055 nan 8.370 nan 0.000 0.508 32 P HA -0.098 nan 4.420 nan 0.000 0.217 32 P C 0.757 177.933 177.300 -0.206 0.000 1.150 32 P CA 0.763 63.456 63.100 -0.678 0.000 0.832 32 P CB 0.692 31.893 31.700 -0.830 0.000 0.787 33 D N 0.249 120.543 120.400 -0.177 0.000 2.097 33 D HA -0.097 4.544 4.640 0.002 0.000 0.195 33 D C 2.367 178.634 176.300 -0.054 0.000 0.989 33 D CA 1.732 55.680 54.000 -0.086 0.000 0.827 33 D CB -0.969 39.784 40.800 -0.078 0.000 0.966 33 D HN 0.212 nan 8.370 nan 0.000 0.456 34 G N 1.035 109.799 108.800 -0.061 0.000 2.402 34 G HA2 -0.205 3.756 3.960 0.002 0.000 0.216 34 G HA3 -0.205 3.756 3.960 0.002 0.000 0.216 34 G C 1.652 176.547 174.900 -0.008 0.000 1.162 34 G CA 0.400 45.479 45.100 -0.034 0.000 0.777 34 G HN 0.206 nan 8.290 nan 0.000 0.539 35 L N 0.774 122.008 121.223 0.019 0.000 2.056 35 L HA 0.114 4.455 4.340 0.002 0.000 0.207 35 L C 2.644 179.552 176.870 0.062 0.000 1.078 35 L CA 2.264 57.148 54.840 0.073 0.000 0.749 35 L CB -0.474 41.696 42.059 0.185 0.000 0.901 35 L HN 0.218 nan 8.230 nan 0.000 0.433 36 K N -0.743 119.690 120.400 0.056 0.000 2.074 36 K HA -0.251 4.070 4.320 0.002 0.000 0.209 36 K C 2.089 178.703 176.600 0.022 0.000 1.048 36 K CA 1.633 57.949 56.287 0.049 0.000 0.926 36 K CB -0.169 32.353 32.500 0.036 0.000 0.713 36 K HN 0.299 nan 8.250 nan 0.000 0.444 37 E N 1.101 121.302 120.200 0.002 0.000 2.085 37 E HA -0.205 4.147 4.350 0.002 0.000 0.194 37 E C 2.053 178.637 176.600 -0.027 0.000 0.994 37 E CA 1.466 57.858 56.400 -0.014 0.000 0.801 37 E CB -0.046 29.638 29.700 -0.027 0.000 0.743 37 E HN 0.452 nan 8.360 nan 0.000 0.453 38 Q N -0.151 119.632 119.800 -0.029 0.000 2.079 38 Q HA -0.081 4.260 4.340 0.002 0.000 0.200 38 Q C 2.541 178.527 176.000 -0.023 0.000 0.974 38 Q CA 1.079 56.849 55.803 -0.055 0.000 0.840 38 Q CB -0.111 28.603 28.738 -0.040 0.000 0.898 38 Q HN 0.283 nan 8.270 nan 0.000 0.430 39 L N 0.364 121.598 121.223 0.018 0.000 2.083 39 L HA -0.191 4.150 4.340 0.002 0.000 0.209 39 L C 2.309 179.201 176.870 0.036 0.000 1.083 39 L CA 0.821 55.685 54.840 0.040 0.000 0.752 39 L CB -0.423 41.669 42.059 0.056 0.000 0.899 39 L HN 0.249 nan 8.230 nan 0.000 0.433 40 L N -0.695 120.544 121.223 0.026 0.000 2.083 40 L HA -0.234 4.107 4.340 0.002 0.000 0.209 40 L C 2.715 179.612 176.870 0.044 0.000 1.083 40 L CA 1.288 56.144 54.840 0.026 0.000 0.752 40 L CB -0.403 41.667 42.059 0.019 0.000 0.899 40 L HN 0.342 nan 8.230 nan 0.000 0.433 41 Q N -0.360 119.464 119.800 0.040 0.000 2.079 41 Q HA -0.168 4.173 4.340 0.002 0.000 0.200 41 Q C 2.374 178.525 176.000 0.252 0.000 0.974 41 Q CA 1.196 57.058 55.803 0.099 0.000 0.840 41 Q CB -0.089 28.601 28.738 -0.080 0.000 0.898 41 Q HN 0.502 nan 8.270 nan 0.000 0.430 42 L N 0.309 121.642 121.223 0.183 0.000 1.970 42 L HA -0.247 4.094 4.340 0.002 0.000 0.212 42 L C 2.684 179.650 176.870 0.161 0.000 1.071 42 L CA 1.706 56.699 54.840 0.256 0.000 0.751 42 L CB -0.539 41.616 42.059 0.160 0.000 0.889 42 L HN 0.218 nan 8.230 nan 0.000 0.432 43 R N 0.917 121.452 120.500 0.059 0.000 2.094 43 R HA -0.207 4.135 4.340 0.002 0.000 0.239 43 R C 2.209 178.478 176.300 -0.053 0.000 1.137 43 R CA 1.952 58.020 56.100 -0.052 0.000 0.943 43 R CB -0.674 29.585 30.300 -0.068 0.000 0.850 43 R HN 0.294 nan 8.270 nan 0.000 0.433 44 A N 0.281 123.113 122.820 0.019 0.000 2.024 44 A HA -0.032 4.289 4.320 0.002 0.000 0.220 44 A C 2.316 179.917 177.584 0.029 0.000 1.164 44 A CA 1.645 53.698 52.037 0.028 0.000 0.643 44 A CB -0.845 18.194 19.000 0.065 0.000 0.806 44 A HN 0.615 nan 8.150 nan 0.000 0.451 45 A N -2.205 120.654 122.820 0.066 0.000 2.208 45 A HA 0.406 4.727 4.320 0.002 0.000 0.209 45 A C 1.833 179.377 177.584 -0.065 0.000 1.161 45 A CA 1.261 53.283 52.037 -0.024 0.000 0.782 45 A CB -0.697 18.298 19.000 -0.008 0.000 0.816 45 A HN 1.832 nan 8.150 nan 0.000 0.477 46 G N -1.808 106.976 108.800 -0.026 0.000 2.179 46 G HA2 -0.195 3.766 3.960 0.002 0.000 0.220 46 G HA3 -0.195 3.766 3.960 0.002 0.000 0.220 46 G C 0.256 175.198 174.900 0.070 0.000 0.990 46 G CA -0.032 45.087 45.100 0.033 0.000 0.646 46 G HN 0.737 nan 8.290 nan 0.000 0.517 47 V N 1.323 121.239 119.914 0.003 0.000 2.644 47 V HA 0.114 4.236 4.120 0.002 0.000 0.305 47 V C 1.637 177.728 176.094 -0.004 0.000 1.053 47 V CA 1.584 63.892 62.300 0.014 0.000 1.186 47 V CB 0.885 32.788 31.823 0.134 0.000 0.895 47 V HN 0.453 nan 8.190 nan 0.000 0.490 48 D N 2.388 122.769 120.400 -0.032 0.000 2.103 48 D HA 0.233 4.874 4.640 0.002 0.000 0.199 48 D C 0.896 177.203 176.300 0.012 0.000 0.978 48 D CA 1.519 55.534 54.000 0.025 0.000 0.829 48 D CB 0.097 40.771 40.800 -0.210 0.000 0.981 48 D HN 0.783 nan 8.370 nan 0.000 0.464 49 G N -1.217 107.544 108.800 -0.065 0.000 2.634 49 G HA2 0.524 4.485 3.960 0.002 0.000 0.309 49 G HA3 0.524 4.485 3.960 0.002 0.000 0.309 49 G C -1.527 173.579 174.900 0.343 0.000 1.299 49 G CA -0.240 45.015 45.100 0.258 0.000 0.798 49 G HN 0.241 nan 8.290 nan 0.000 0.490 50 V N -2.837 117.288 119.914 0.352 0.000 3.158 50 V HA 0.921 5.043 4.120 0.002 0.000 0.311 50 V C -0.451 175.770 176.094 0.212 0.000 1.181 50 V CA -1.048 61.414 62.300 0.270 0.000 1.054 50 V CB 1.984 33.909 31.823 0.169 0.000 1.085 50 V HN 1.111 nan 8.190 nan 0.000 0.446 51 M N 2.059 121.752 119.600 0.155 0.000 2.530 51 M HA 0.878 5.359 4.480 0.002 0.000 0.307 51 M C -2.050 174.281 176.300 0.051 0.000 1.161 51 M CA -0.731 54.614 55.300 0.075 0.000 0.903 51 M CB 2.131 34.772 32.600 0.068 0.000 1.711 51 M HN 0.915 nan 8.290 nan 0.000 0.451 52 V N 3.318 123.234 119.914 0.003 0.000 3.048 52 V HA 0.447 4.568 4.120 0.002 0.000 0.303 52 V C -1.586 174.435 176.094 -0.121 0.000 1.214 52 V CA -0.662 61.638 62.300 -0.001 0.000 0.984 52 V CB 2.591 34.457 31.823 0.072 0.000 1.054 52 V HN 0.921 nan 8.190 nan 0.000 0.430 53 D N 3.554 123.807 120.400 -0.245 0.000 2.308 53 D HA 0.308 4.949 4.640 0.002 0.000 0.251 53 D C -0.384 175.546 176.300 -0.616 0.000 1.127 53 D CA 0.151 53.737 54.000 -0.689 0.000 0.876 53 D CB 2.084 41.968 40.800 -1.526 0.000 1.176 53 D HN 0.342 nan 8.370 nan 0.000 0.446 54 V N 4.280 123.838 119.914 -0.594 0.000 2.217 54 V HA 0.091 4.212 4.120 0.002 0.000 0.264 54 V C -0.206 175.694 176.094 -0.322 0.000 1.107 54 V CA -0.864 61.093 62.300 -0.572 0.000 0.913 54 V CB -0.583 30.988 31.823 -0.419 0.000 1.153 54 V HN 0.452 nan 8.190 nan 0.000 0.469 55 W N 2.873 124.176 121.300 0.005 0.000 2.417 55 W HA 0.006 4.667 4.660 0.002 0.000 0.332 55 W C 1.112 177.723 176.519 0.153 0.000 1.413 55 W CA -0.164 57.206 57.345 0.042 0.000 1.299 55 W CB 0.301 29.809 29.460 0.081 0.000 1.304 55 W HN 0.731 nan 8.180 nan 0.000 0.565 56 W N 3.554 124.922 121.300 0.113 0.000 2.363 56 W HA -0.108 4.554 4.660 0.002 0.000 0.296 56 W C 1.958 178.596 176.519 0.199 0.000 1.212 56 W CA 1.965 59.348 57.345 0.063 0.000 1.260 56 W CB -0.859 28.556 29.460 -0.076 0.000 1.131 56 W HN 0.414 nan 8.180 nan 0.000 0.530 57 G N 0.565 109.466 108.800 0.168 0.000 2.479 57 G HA2 -0.216 3.745 3.960 0.002 0.000 0.220 57 G HA3 -0.216 3.745 3.960 0.002 0.000 0.220 57 G C 1.507 176.432 174.900 0.042 0.000 1.115 57 G CA 1.280 46.349 45.100 -0.052 0.000 0.757 57 G HN 0.381 nan 8.290 nan 0.000 0.560 58 I N 0.112 120.803 120.570 0.202 0.000 2.512 58 I HA 0.042 4.213 4.170 0.002 0.000 0.247 58 I C 2.386 178.609 176.117 0.177 0.000 1.094 58 I CA -0.029 61.398 61.300 0.211 0.000 1.427 58 I CB -0.095 38.129 38.000 0.373 0.000 1.149 58 I HN -0.022 nan 8.210 nan 0.000 0.438 59 I N 0.976 121.668 120.570 0.204 0.000 2.099 59 I HA -0.280 3.891 4.170 0.002 0.000 0.239 59 I C 1.828 178.013 176.117 0.113 0.000 1.066 59 I CA 1.794 63.114 61.300 0.034 0.000 1.324 59 I CB -1.050 36.857 38.000 -0.154 0.000 1.037 59 I HN 0.327 nan 8.210 nan 0.000 0.401 60 E N 0.775 121.165 120.200 0.316 0.000 2.411 60 E HA 0.024 4.376 4.350 0.002 0.000 0.228 60 E C 1.466 178.202 176.600 0.227 0.000 1.169 60 E CA -0.262 56.312 56.400 0.290 0.000 1.421 60 E CB 0.135 30.215 29.700 0.634 0.000 1.333 60 E HN 0.179 nan 8.360 nan 0.000 0.434 61 L N 0.709 122.005 121.223 0.121 0.000 2.044 61 L HA -0.050 4.291 4.340 0.002 0.000 0.205 61 L C 1.696 178.652 176.870 0.143 0.000 1.075 61 L CA 1.716 56.621 54.840 0.109 0.000 0.747 61 L CB -0.087 42.002 42.059 0.050 0.000 0.903 61 L HN -0.016 nan 8.230 nan 0.000 0.435 62 K N 0.579 121.013 120.400 0.057 0.000 2.160 62 K HA 0.155 4.476 4.320 0.002 0.000 0.206 62 K C 0.873 177.439 176.600 -0.057 0.000 1.047 62 K CA 0.845 57.134 56.287 0.003 0.000 0.930 62 K CB -0.751 31.728 32.500 -0.035 0.000 0.720 62 K HN 0.601 nan 8.250 nan 0.000 0.450 63 G N -1.895 106.810 108.800 -0.158 0.000 2.337 63 G HA2 0.163 4.125 3.960 0.002 0.000 0.298 63 G HA3 0.163 4.125 3.960 0.002 0.000 0.298 63 G C -3.067 171.310 174.900 -0.871 0.000 1.335 63 G CA -1.246 43.516 45.100 -0.565 0.000 0.875 63 G HN -0.294 nan 8.290 nan 0.000 0.579 64 P HA 0.197 nan 4.420 nan 0.000 0.258 64 P C 0.187 177.180 177.300 -0.512 0.000 1.187 64 P CA 0.767 63.255 63.100 -1.020 0.000 0.767 64 P CB 0.265 31.411 31.700 -0.924 0.000 0.770 65 K N 0.727 120.874 120.400 -0.422 0.000 3.281 65 K HA -0.235 4.086 4.320 0.002 0.000 0.295 65 K C -0.346 175.830 176.600 -0.708 0.000 1.233 65 K CA 0.801 56.758 56.287 -0.550 0.000 0.866 65 K CB -1.313 31.092 32.500 -0.158 0.000 1.265 65 K HN 0.642 nan 8.250 nan 0.000 0.482 66 Q N 0.806 120.218 119.800 -0.645 0.000 2.466 66 Q HA 0.248 4.590 4.340 0.002 0.000 0.242 66 Q C -1.103 174.669 176.000 -0.380 0.000 1.046 66 Q CA -0.358 55.216 55.803 -0.382 0.000 0.841 66 Q CB 0.475 29.072 28.738 -0.234 0.000 1.193 66 Q HN 0.111 nan 8.270 nan 0.000 0.508 67 Y N 0.611 120.905 120.300 -0.009 0.000 2.330 67 Y HA 0.289 4.840 4.550 0.002 0.000 0.336 67 Y C 0.079 175.833 175.900 -0.244 0.000 1.036 67 Y CA -1.327 56.654 58.100 -0.197 0.000 1.125 67 Y CB 1.182 39.528 38.460 -0.190 0.000 1.194 67 Y HN 0.395 nan 8.280 nan 0.000 0.469 68 D N 2.589 122.869 120.400 -0.200 0.000 2.454 68 D HA 0.185 4.826 4.640 0.002 0.000 0.247 68 D C -0.802 175.438 176.300 -0.100 0.000 1.129 68 D CA -0.756 53.208 54.000 -0.060 0.000 0.877 68 D CB 0.330 41.140 40.800 0.017 0.000 1.082 68 D HN 0.588 nan 8.370 nan 0.000 0.537 69 W N 2.816 124.233 121.300 0.195 0.000 3.278 69 W HA 0.227 4.888 4.660 0.002 0.000 0.308 69 W C 2.008 178.645 176.519 0.196 0.000 1.253 69 W CA -0.533 56.927 57.345 0.193 0.000 1.759 69 W CB 0.328 29.850 29.460 0.103 0.000 1.093 69 W HN 0.261 nan 8.180 nan 0.000 0.648 70 R N 1.026 121.729 120.500 0.340 0.000 2.115 70 R HA -0.234 4.107 4.340 0.002 0.000 0.239 70 R C 2.393 178.834 176.300 0.235 0.000 1.133 70 R CA 2.094 58.346 56.100 0.254 0.000 0.935 70 R CB -1.102 29.309 30.300 0.185 0.000 0.853 70 R HN 0.192 nan 8.270 nan 0.000 0.433 71 A N 0.128 123.071 122.820 0.206 0.000 1.940 71 A HA -0.189 4.132 4.320 0.002 0.000 0.219 71 A C 1.929 179.505 177.584 -0.012 0.000 1.176 71 A CA 1.311 53.422 52.037 0.124 0.000 0.631 71 A CB -0.645 18.406 19.000 0.085 0.000 0.814 71 A HN 0.374 nan 8.150 nan 0.000 0.446 72 Y N -0.454 119.923 120.300 0.129 0.000 2.314 72 Y HA -0.065 4.486 4.550 0.002 0.000 0.293 72 Y C 2.638 178.545 175.900 0.012 0.000 1.129 72 Y CA 1.431 59.576 58.100 0.075 0.000 1.201 72 Y CB -0.129 38.490 38.460 0.266 0.000 0.999 72 Y HN 0.223 nan 8.280 nan 0.000 0.541 73 R N -0.805 119.854 120.500 0.265 0.000 2.081 73 R HA -0.144 4.197 4.340 0.002 0.000 0.235 73 R C 2.300 178.701 176.300 0.169 0.000 1.131 73 R CA 1.619 57.879 56.100 0.267 0.000 0.960 73 R CB -0.439 30.073 30.300 0.352 0.000 0.856 73 R HN 0.177 nan 8.270 nan 0.000 0.436 74 S N 1.133 116.915 115.700 0.137 0.000 2.402 74 S HA -0.114 4.357 4.470 0.002 0.000 0.229 74 S C 1.734 176.323 174.600 -0.018 0.000 1.021 74 S CA 0.808 59.106 58.200 0.164 0.000 0.974 74 S CB -0.159 63.226 63.200 0.308 0.000 0.800 74 S HN 0.173 nan 8.310 nan 0.000 0.484 75 L N 1.614 122.594 121.223 -0.406 0.000 1.988 75 L HA 0.027 4.369 4.340 0.002 0.000 0.207 75 L C 1.879 178.549 176.870 -0.333 0.000 1.071 75 L CA 1.657 56.067 54.840 -0.717 0.000 0.744 75 L CB -0.904 40.656 42.059 -0.831 0.000 0.893 75 L HN 0.140 nan 8.230 nan 0.000 0.433 76 L N -0.249 120.755 121.223 -0.365 0.000 2.081 76 L HA -0.238 4.103 4.340 0.002 0.000 0.212 76 L C 2.685 179.244 176.870 -0.518 0.000 1.080 76 L CA 1.949 56.449 54.840 -0.567 0.000 0.754 76 L CB -1.119 40.278 42.059 -1.103 0.000 0.893 76 L HN 0.497 nan 8.230 nan 0.000 0.433 77 Q N -0.550 119.078 119.800 -0.285 0.000 2.084 77 Q HA -0.220 4.121 4.340 0.002 0.000 0.202 77 Q C 2.125 178.193 176.000 0.114 0.000 0.978 77 Q CA 1.716 57.614 55.803 0.158 0.000 0.844 77 Q CB -0.475 28.461 28.738 0.329 0.000 0.898 77 Q HN 0.395 nan 8.270 nan 0.000 0.426 78 L N -0.646 120.631 121.223 0.090 0.000 2.093 78 L HA -0.072 4.269 4.340 0.002 0.000 0.208 78 L C 2.003 178.919 176.870 0.077 0.000 1.085 78 L CA 1.419 56.334 54.840 0.125 0.000 0.755 78 L CB -0.609 41.586 42.059 0.227 0.000 0.904 78 L HN 0.164 nan 8.230 nan 0.000 0.435 79 V N -0.158 119.767 119.914 0.019 0.000 2.295 79 V HA -0.346 3.776 4.120 0.002 0.000 0.246 79 V C 2.583 178.704 176.094 0.044 0.000 1.049 79 V CA 2.090 64.403 62.300 0.020 0.000 1.024 79 V CB -0.834 30.975 31.823 -0.023 0.000 0.648 79 V HN 0.673 nan 8.190 nan 0.000 0.447 80 Q N 0.359 120.188 119.800 0.048 0.000 2.030 80 Q HA -0.285 4.056 4.340 0.002 0.000 0.204 80 Q C 2.201 178.259 176.000 0.097 0.000 0.986 80 Q CA 2.330 58.194 55.803 0.100 0.000 0.843 80 Q CB -0.222 28.624 28.738 0.180 0.000 0.904 80 Q HN 0.737 nan 8.270 nan 0.000 0.420 81 E N -0.614 119.645 120.200 0.100 0.000 2.273 81 E HA -0.198 4.153 4.350 0.002 0.000 0.198 81 E C 1.834 178.473 176.600 0.064 0.000 1.002 81 E CA 1.052 57.503 56.400 0.084 0.000 0.828 81 E CB -0.088 29.666 29.700 0.089 0.000 0.747 81 E HN 0.409 nan 8.360 nan 0.000 0.491 82 C N -0.045 119.291 119.300 0.060 0.000 2.618 82 C HA 0.219 4.680 4.460 0.002 0.000 0.264 82 C C 1.624 176.629 174.990 0.025 0.000 1.334 82 C CA 0.436 59.479 59.018 0.042 0.000 1.731 82 C CB -0.952 26.815 27.740 0.045 0.000 1.852 82 C HN 0.692 nan 8.230 nan 0.000 0.566 83 G N 0.825 109.650 108.800 0.042 0.000 2.160 83 G HA2 -0.222 3.739 3.960 0.002 0.000 0.244 83 G HA3 -0.222 3.739 3.960 0.002 0.000 0.244 83 G C -0.275 174.643 174.900 0.030 0.000 1.022 83 G CA -0.061 45.061 45.100 0.037 0.000 0.741 83 G HN 0.511 nan 8.290 nan 0.000 0.508 84 L N 0.796 122.053 121.223 0.057 0.000 2.346 84 L HA 0.709 5.050 4.340 0.002 0.000 0.274 84 L C 1.147 178.096 176.870 0.130 0.000 1.007 84 L CA -0.609 54.281 54.840 0.083 0.000 0.818 84 L CB 2.021 44.124 42.059 0.073 0.000 1.284 84 L HN 0.324 nan 8.230 nan 0.000 0.424 85 T N 0.004 114.674 114.554 0.194 0.000 2.824 85 T HA 0.545 4.896 4.350 0.002 0.000 0.277 85 T C -0.535 174.287 174.700 0.203 0.000 0.975 85 T CA -0.727 61.501 62.100 0.213 0.000 0.966 85 T CB 1.750 70.795 68.868 0.295 0.000 1.054 85 T HN 0.330 nan 8.240 nan 0.000 0.533 86 L N 0.769 122.079 121.223 0.145 0.000 2.436 86 L HA 0.417 4.759 4.340 0.002 0.000 0.268 86 L C -1.138 175.752 176.870 0.034 0.000 0.974 86 L CA -0.587 54.310 54.840 0.094 0.000 0.826 86 L CB 2.040 44.123 42.059 0.040 0.000 1.291 86 L HN 0.890 nan 8.230 nan 0.000 0.406 87 Q N 3.554 123.351 119.800 -0.005 0.000 2.368 87 Q HA 0.627 4.968 4.340 0.002 0.000 0.256 87 Q C -0.371 175.584 176.000 -0.075 0.000 0.980 87 Q CA -0.455 55.298 55.803 -0.084 0.000 0.887 87 Q CB 1.950 30.600 28.738 -0.146 0.000 1.221 87 Q HN 0.699 nan 8.270 nan 0.000 0.458 88 A N 4.319 127.071 122.820 -0.114 0.000 2.260 88 A HA 0.546 4.867 4.320 0.002 0.000 0.314 88 A C -0.406 177.016 177.584 -0.271 0.000 1.257 88 A CA -0.589 51.346 52.037 -0.170 0.000 0.871 88 A CB 0.337 19.240 19.000 -0.162 0.000 1.166 88 A HN 0.771 nan 8.150 nan 0.000 0.522 89 I N 3.382 123.787 120.570 -0.276 0.000 2.331 89 I HA 0.190 4.362 4.170 0.002 0.000 0.292 89 I C -0.003 175.879 176.117 -0.391 0.000 0.998 89 I CA -0.410 60.712 61.300 -0.296 0.000 1.267 89 I CB 1.452 39.294 38.000 -0.262 0.000 1.386 89 I HN 0.504 nan 8.210 nan 0.000 0.476 90 M N 5.118 124.485 119.600 -0.388 0.000 2.775 90 M HA 0.137 4.618 4.480 0.002 0.000 0.313 90 M C -0.002 175.856 176.300 -0.737 0.000 1.429 90 M CA 0.148 55.113 55.300 -0.558 0.000 1.494 90 M CB -0.463 31.881 32.600 -0.427 0.000 1.274 90 M HN 0.413 nan 8.290 nan 0.000 0.491 91 S N 3.088 118.419 115.700 -0.615 0.000 3.072 91 S HA 0.227 4.699 4.470 0.002 0.000 0.306 91 S C 0.355 174.794 174.600 -0.269 0.000 1.207 91 S CA -0.342 57.614 58.200 -0.408 0.000 1.008 91 S CB -0.719 61.986 63.200 -0.824 0.000 1.390 91 S HN 0.379 nan 8.310 nan 0.000 0.523 92 F N 3.501 123.514 119.950 0.104 0.000 2.757 92 F HA 0.184 4.712 4.527 0.002 0.000 0.292 92 F C 1.473 177.585 175.800 0.519 0.000 1.204 92 F CA -0.489 57.560 58.000 0.083 0.000 1.417 92 F CB -0.402 38.301 39.000 -0.494 0.000 1.001 92 F HN 0.559 nan 8.300 nan 0.000 0.508 93 H N -1.665 117.747 119.070 0.570 0.000 2.941 93 H HA 0.373 4.930 4.556 0.002 0.000 0.344 93 H C -0.854 174.748 175.328 0.456 0.000 1.235 93 H CA -1.266 55.114 56.048 0.552 0.000 1.149 93 H CB 0.863 30.876 29.762 0.419 0.000 1.885 93 H HN 0.154 nan 8.280 nan 0.000 0.558 94 Q N 0.814 120.810 119.800 0.326 0.000 2.288 94 Q HA 0.345 4.686 4.340 0.002 0.000 0.254 94 Q C -0.866 175.108 176.000 -0.043 0.000 0.932 94 Q CA -0.564 55.279 55.803 0.067 0.000 0.902 94 Q CB 0.949 29.720 28.738 0.055 0.000 1.203 94 Q HN 0.594 nan 8.270 nan 0.000 0.415 95 C N 4.444 123.483 119.300 -0.435 0.000 2.350 95 C HA 0.801 5.262 4.460 0.002 0.000 0.348 95 C C 1.020 175.839 174.990 -0.285 0.000 1.260 95 C CA 1.030 59.702 59.018 -0.578 0.000 1.966 95 C CB -0.648 26.203 27.740 -1.483 0.000 2.380 95 C HN 1.137 nan 8.230 nan 0.000 0.535 96 G N 3.859 112.582 108.800 -0.128 0.000 2.564 96 G HA2 0.296 4.257 3.960 0.002 0.000 0.273 96 G HA3 0.296 4.257 3.960 0.002 0.000 0.273 96 G C 0.916 175.776 174.900 -0.067 0.000 1.242 96 G CA 0.819 45.869 45.100 -0.083 0.000 0.951 96 G HN 2.628 nan 8.290 nan 0.000 0.564 97 G N -2.187 106.573 108.800 -0.068 0.000 2.231 97 G HA2 -0.162 3.799 3.960 0.002 0.000 0.206 97 G HA3 -0.162 3.799 3.960 0.002 0.000 0.206 97 G C 0.174 175.048 174.900 -0.044 0.000 0.996 97 G CA 0.962 46.027 45.100 -0.059 0.000 0.645 97 G HN 1.400 nan 8.290 nan 0.000 0.498 98 N N 0.645 119.325 118.700 -0.033 0.000 2.492 98 N HA 0.531 5.272 4.740 0.002 0.000 0.289 98 N C 0.657 176.154 175.510 -0.022 0.000 1.133 98 N CA 0.225 53.262 53.050 -0.022 0.000 0.961 98 N CB 2.021 40.503 38.487 -0.008 0.000 1.186 98 N HN 0.803 nan 8.380 nan 0.000 0.493 99 V N -1.130 118.773 119.914 -0.018 0.000 2.617 99 V HA 0.408 4.529 4.120 0.002 0.000 0.304 99 V C 1.353 177.438 176.094 -0.015 0.000 1.040 99 V CA 0.495 62.785 62.300 -0.018 0.000 1.149 99 V CB -0.041 31.773 31.823 -0.016 0.000 0.914 99 V HN 0.985 nan 8.190 nan 0.000 0.487 100 G N 2.973 111.763 108.800 -0.016 0.000 2.232 100 G HA2 -0.208 3.753 3.960 0.002 0.000 0.226 100 G HA3 -0.208 3.753 3.960 0.002 0.000 0.226 100 G C -0.105 174.787 174.900 -0.013 0.000 0.996 100 G CA 0.093 45.185 45.100 -0.013 0.000 0.626 100 G HN 0.860 nan 8.290 nan 0.000 0.509 101 D N 0.801 121.191 120.400 -0.018 0.000 2.382 101 D HA 0.393 5.034 4.640 0.002 0.000 0.259 101 D C 1.861 178.145 176.300 -0.026 0.000 1.224 101 D CA -0.113 53.874 54.000 -0.021 0.000 0.894 101 D CB 0.696 41.477 40.800 -0.031 0.000 1.127 101 D HN 0.317 nan 8.370 nan 0.000 0.487 102 I N 1.481 122.040 120.570 -0.019 0.000 2.163 102 I HA -0.164 4.007 4.170 0.002 0.000 0.240 102 I C 0.874 176.971 176.117 -0.034 0.000 1.081 102 I CA 0.834 62.123 61.300 -0.019 0.000 1.353 102 I CB 0.066 38.063 38.000 -0.006 0.000 1.054 102 I HN 0.115 nan 8.210 nan 0.000 0.407 103 V N 3.332 123.221 119.914 -0.041 0.000 2.364 103 V HA 0.217 4.338 4.120 0.002 0.000 0.272 103 V C -0.522 175.488 176.094 -0.140 0.000 1.036 103 V CA -0.448 61.805 62.300 -0.078 0.000 0.880 103 V CB 0.629 32.416 31.823 -0.060 0.000 0.991 103 V HN 0.283 nan 8.190 nan 0.000 0.460 104 N N 6.074 124.682 118.700 -0.153 0.000 2.443 104 N HA 0.553 5.294 4.740 0.002 0.000 0.269 104 N C -0.886 174.479 175.510 -0.242 0.000 0.985 104 N CA -0.264 52.675 53.050 -0.185 0.000 0.921 104 N CB 2.546 40.960 38.487 -0.121 0.000 1.195 104 N HN 0.530 nan 8.380 nan 0.000 0.492 105 I N 3.591 123.939 120.570 -0.369 0.000 2.595 105 I HA 0.239 4.410 4.170 0.002 0.000 0.275 105 I C -2.183 173.751 176.117 -0.306 0.000 1.092 105 I CA -1.760 59.305 61.300 -0.391 0.000 1.145 105 I CB 1.933 39.520 38.000 -0.689 0.000 1.276 105 I HN 0.122 nan 8.210 nan 0.000 0.497 106 P HA 0.157 nan 4.420 nan 0.000 0.272 106 P C 0.119 177.326 177.300 -0.156 0.000 1.240 106 P CA -0.170 62.842 63.100 -0.146 0.000 0.791 106 P CB 1.011 32.636 31.700 -0.125 0.000 0.978 107 I N -2.361 118.124 120.570 -0.140 0.000 3.194 107 I HA 0.260 4.431 4.170 0.002 0.000 0.283 107 I C -2.283 173.530 176.117 -0.507 0.000 1.199 107 I CA -2.528 58.594 61.300 -0.296 0.000 1.328 107 I CB -1.290 36.585 38.000 -0.208 0.000 1.404 107 I HN 0.104 nan 8.210 nan 0.000 0.618 108 P HA -0.125 nan 4.420 nan 0.000 0.261 108 P C -0.065 176.888 177.300 -0.578 0.000 1.158 108 P CA 0.536 63.178 63.100 -0.764 0.000 0.758 108 P CB 0.415 31.369 31.700 -1.245 0.000 0.763 109 Q N 5.239 124.886 119.800 -0.255 0.000 2.124 109 Q HA -0.164 4.177 4.340 0.002 0.000 0.202 109 Q C 1.596 177.566 176.000 -0.051 0.000 0.977 109 Q CA 1.862 57.598 55.803 -0.111 0.000 0.850 109 Q CB -0.647 28.087 28.738 -0.007 0.000 0.901 109 Q HN 0.694 nan 8.270 nan 0.000 0.429 110 W N -1.019 120.266 121.300 -0.025 0.000 2.421 110 W HA -0.034 4.627 4.660 0.001 0.000 0.270 110 W C 1.091 177.662 176.519 0.087 0.000 1.233 110 W CA 0.863 58.240 57.345 0.053 0.000 1.226 110 W CB -0.696 28.804 29.460 0.067 0.000 1.121 110 W HN 0.004 nan 8.180 nan 0.000 0.579 111 V N 2.179 121.621 119.914 -0.786 0.000 2.488 111 V HA -0.247 3.874 4.120 0.002 0.000 0.246 111 V C 2.700 178.696 176.094 -0.163 0.000 1.046 111 V CA 1.401 63.291 62.300 -0.683 0.000 1.053 111 V CB -0.723 30.486 31.823 -1.023 0.000 0.679 111 V HN 0.101 nan 8.190 nan 0.000 0.458 112 L N -0.211 120.951 121.223 -0.101 0.000 2.093 112 L HA -0.157 4.184 4.340 0.002 0.000 0.208 112 L C 2.347 179.307 176.870 0.151 0.000 1.085 112 L CA 1.356 56.269 54.840 0.122 0.000 0.755 112 L CB -0.741 41.350 42.059 0.053 0.000 0.904 112 L HN 0.340 nan 8.230 nan 0.000 0.435 113 D N 0.458 120.925 120.400 0.112 0.000 2.149 113 D HA -0.173 4.468 4.640 0.002 0.000 0.198 113 D C 2.263 178.649 176.300 0.143 0.000 0.990 113 D CA 1.308 55.394 54.000 0.143 0.000 0.839 113 D CB -0.052 40.852 40.800 0.173 0.000 0.948 113 D HN 0.340 nan 8.370 nan 0.000 0.460 114 I N 0.947 121.595 120.570 0.131 0.000 2.286 114 I HA -0.158 4.013 4.170 0.002 0.000 0.248 114 I C 2.508 178.667 176.117 0.070 0.000 1.115 114 I CA 1.157 62.499 61.300 0.070 0.000 1.392 114 I CB -0.352 37.684 38.000 0.059 0.000 1.065 114 I HN 0.012 nan 8.210 nan 0.000 0.418 115 G N 0.254 109.131 108.800 0.127 0.000 2.432 115 G HA2 -0.217 3.744 3.960 0.002 0.000 0.219 115 G HA3 -0.217 3.744 3.960 0.002 0.000 0.219 115 G C 1.508 176.649 174.900 0.402 0.000 1.135 115 G CA 0.410 45.641 45.100 0.218 0.000 0.767 115 G HN 0.260 nan 8.290 nan 0.000 0.550 116 E N 0.995 121.379 120.200 0.307 0.000 2.085 116 E HA -0.076 4.275 4.350 0.002 0.000 0.194 116 E C 2.694 179.394 176.600 0.168 0.000 0.994 116 E CA 1.142 57.730 56.400 0.313 0.000 0.801 116 E CB -0.339 29.477 29.700 0.193 0.000 0.743 116 E HN 0.376 nan 8.360 nan 0.000 0.453 117 S N 0.041 115.778 115.700 0.063 0.000 2.524 117 S HA 0.029 4.500 4.470 0.002 0.000 0.216 117 S C 0.734 175.269 174.600 -0.108 0.000 0.987 117 S CA -0.165 58.007 58.200 -0.047 0.000 0.909 117 S CB 0.073 63.266 63.200 -0.013 0.000 0.781 117 S HN 0.228 nan 8.310 nan 0.000 0.521 118 N N 0.288 118.963 118.700 -0.042 0.000 2.707 118 N HA 0.194 4.935 4.740 0.002 0.000 0.249 118 N C -0.035 175.529 175.510 0.090 0.000 1.299 118 N CA -0.142 52.888 53.050 -0.034 0.000 0.769 118 N CB 0.337 38.800 38.487 -0.041 0.000 1.236 118 N HN 0.257 nan 8.380 nan 0.000 0.524 119 H N 0.140 119.277 119.070 0.111 0.000 2.543 119 H HA -0.064 4.493 4.556 0.002 0.000 0.286 119 H C 0.305 175.753 175.328 0.200 0.000 1.037 119 H CA 0.462 56.644 56.048 0.224 0.000 1.250 119 H CB 0.478 30.371 29.762 0.218 0.000 1.373 119 H HN 0.514 nan 8.280 nan 0.000 0.580 120 D N 1.171 121.710 120.400 0.231 0.000 2.336 120 D HA -0.028 4.613 4.640 0.002 0.000 0.229 120 D C 1.782 178.227 176.300 0.242 0.000 1.061 120 D CA 0.342 54.486 54.000 0.241 0.000 0.875 120 D CB 0.171 41.054 40.800 0.137 0.000 0.904 120 D HN 0.669 nan 8.370 nan 0.000 0.525 121 I N -3.353 117.189 120.570 -0.047 0.000 3.578 121 I HA 0.104 4.275 4.170 0.002 0.000 0.295 121 I C -0.103 175.815 176.117 -0.332 0.000 1.280 121 I CA 0.115 61.278 61.300 -0.227 0.000 1.347 121 I CB -0.056 37.733 38.000 -0.352 0.000 1.051 121 I HN -0.343 nan 8.210 nan 0.000 0.460 122 F N 0.468 120.507 119.950 0.148 0.000 2.432 122 F HA 0.484 5.011 4.527 0.002 0.000 0.329 122 F C 0.042 175.950 175.800 0.181 0.000 1.076 122 F CA -1.140 56.932 58.000 0.120 0.000 1.018 122 F CB 0.225 39.313 39.000 0.147 0.000 1.201 122 F HN -0.221 nan 8.300 nan 0.000 0.489 123 Y N 0.920 121.485 120.300 0.441 0.000 2.620 123 Y HA 0.227 4.778 4.550 0.002 0.000 0.330 123 Y C 0.658 176.768 175.900 0.349 0.000 1.186 123 Y CA 0.034 58.358 58.100 0.372 0.000 1.467 123 Y CB 0.053 38.723 38.460 0.350 0.000 1.262 123 Y HN 0.425 nan 8.280 nan 0.000 0.550 124 T N 5.177 120.053 114.554 0.536 0.000 2.841 124 T HA 0.283 4.635 4.350 0.002 0.000 0.283 124 T C -0.236 174.717 174.700 0.421 0.000 1.000 124 T CA -1.199 61.148 62.100 0.412 0.000 0.977 124 T CB 0.880 69.969 68.868 0.368 0.000 0.979 124 T HN 0.608 nan 8.240 nan 0.000 0.446 125 N N 1.629 120.501 118.700 0.286 0.000 2.447 125 N HA 0.247 4.988 4.740 0.002 0.000 0.271 125 N C 1.123 176.529 175.510 -0.172 0.000 1.226 125 N CA -0.841 52.311 53.050 0.170 0.000 0.980 125 N CB 0.739 39.296 38.487 0.118 0.000 1.206 125 N HN 0.423 nan 8.380 nan 0.000 0.558 126 R N 0.157 120.237 120.500 -0.699 0.000 2.113 126 R HA -0.098 4.243 4.340 0.002 0.000 0.244 126 R C 1.604 177.626 176.300 -0.463 0.000 1.142 126 R CA 2.146 57.564 56.100 -1.136 0.000 0.953 126 R CB -0.780 28.997 30.300 -0.870 0.000 0.860 126 R HN 0.678 nan 8.270 nan 0.000 0.438 127 S N -1.326 114.225 115.700 -0.249 0.000 2.507 127 S HA 0.104 4.575 4.470 0.002 0.000 0.235 127 S C 1.183 175.759 174.600 -0.040 0.000 0.988 127 S CA 0.950 59.082 58.200 -0.112 0.000 0.944 127 S CB 0.308 63.474 63.200 -0.055 0.000 0.762 127 S HN 0.753 nan 8.310 nan 0.000 0.526 128 G N 0.950 109.742 108.800 -0.013 0.000 2.159 128 G HA2 -0.216 3.745 3.960 0.002 0.000 0.227 128 G HA3 -0.216 3.745 3.960 0.002 0.000 0.227 128 G C 0.115 175.071 174.900 0.092 0.000 0.986 128 G CA 0.053 45.189 45.100 0.060 0.000 0.651 128 G HN 0.448 nan 8.290 nan 0.000 0.523 129 T N 2.571 117.181 114.554 0.092 0.000 2.901 129 T HA 0.508 4.859 4.350 0.002 0.000 0.301 129 T C 0.477 175.254 174.700 0.129 0.000 1.012 129 T CA -0.072 62.084 62.100 0.094 0.000 1.135 129 T CB 0.903 69.835 68.868 0.108 0.000 0.936 129 T HN 0.274 nan 8.240 nan 0.000 0.539 130 R N 3.439 123.987 120.500 0.080 0.000 2.294 130 R HA 0.316 4.658 4.340 0.002 0.000 0.319 130 R C -0.136 176.165 176.300 0.003 0.000 0.984 130 R CA -0.702 55.464 56.100 0.110 0.000 0.861 130 R CB 0.512 30.865 30.300 0.088 0.000 1.104 130 R HN 0.496 nan 8.270 nan 0.000 0.451 131 N N 2.515 121.280 118.700 0.107 0.000 2.414 131 N HA 0.078 4.819 4.740 0.002 0.000 0.256 131 N C -0.197 175.271 175.510 -0.071 0.000 1.029 131 N CA -0.118 52.962 53.050 0.051 0.000 0.948 131 N CB 0.910 39.514 38.487 0.195 0.000 1.102 131 N HN 0.398 nan 8.380 nan 0.000 0.496 132 K N 2.020 122.225 120.400 -0.324 0.000 2.469 132 K HA 0.032 4.353 4.320 0.002 0.000 0.201 132 K C 0.913 177.489 176.600 -0.040 0.000 1.028 132 K CA 0.056 56.011 56.287 -0.553 0.000 1.170 132 K CB 0.392 32.447 32.500 -0.741 0.000 0.874 132 K HN 0.655 nan 8.250 nan 0.000 0.507 133 E N -0.126 120.147 120.200 0.121 0.000 2.478 133 E HA -0.074 4.277 4.350 0.002 0.000 0.194 133 E C -0.246 176.619 176.600 0.442 0.000 1.045 133 E CA 0.279 56.815 56.400 0.226 0.000 0.868 133 E CB 0.101 29.914 29.700 0.189 0.000 0.885 133 E HN 0.201 nan 8.360 nan 0.000 0.505 134 Y N -0.054 120.428 120.300 0.303 0.000 2.620 134 Y HA 0.299 4.850 4.550 0.002 0.000 0.331 134 Y C -1.697 174.343 175.900 0.233 0.000 1.173 134 Y CA -1.092 57.194 58.100 0.309 0.000 1.076 134 Y CB 1.252 39.883 38.460 0.284 0.000 1.336 134 Y HN -0.125 nan 8.280 nan 0.000 0.459 135 L N 4.331 125.330 121.223 -0.374 0.000 2.313 135 L HA 0.256 4.597 4.340 0.002 0.000 0.282 135 L C 0.741 177.343 176.870 -0.447 0.000 1.092 135 L CA -0.315 54.323 54.840 -0.337 0.000 0.831 135 L CB 1.018 42.837 42.059 -0.400 0.000 1.159 135 L HN 0.763 nan 8.230 nan 0.000 0.442 136 T N 1.928 116.172 114.554 -0.517 0.000 2.939 136 T HA -0.013 4.338 4.350 0.002 0.000 0.319 136 T C 1.340 175.810 174.700 -0.383 0.000 1.082 136 T CA -0.435 61.123 62.100 -0.903 0.000 1.133 136 T CB 0.760 69.389 68.868 -0.399 0.000 1.019 136 T HN 0.376 nan 8.240 nan 0.000 0.548 137 V N 4.830 124.588 119.914 -0.260 0.000 2.867 137 V HA -0.036 4.085 4.120 0.002 0.000 0.260 137 V C 2.629 178.723 176.094 0.001 0.000 1.099 137 V CA 1.991 64.224 62.300 -0.111 0.000 1.122 137 V CB -1.202 30.499 31.823 -0.204 0.000 0.708 137 V HN 1.069 nan 8.190 nan 0.000 0.490 138 G N 0.585 109.407 108.800 0.037 0.000 2.462 138 G HA2 -0.169 3.792 3.960 0.002 0.000 0.220 138 G HA3 -0.169 3.792 3.960 0.002 0.000 0.220 138 G C 1.348 176.195 174.900 -0.089 0.000 1.121 138 G CA 1.397 46.560 45.100 0.105 0.000 0.758 138 G HN 0.739 nan 8.290 nan 0.000 0.559 139 V N -2.562 117.238 119.914 -0.191 0.000 3.271 139 V HA 0.288 4.409 4.120 0.002 0.000 0.327 139 V C 1.218 177.247 176.094 -0.109 0.000 1.389 139 V CA 0.256 62.381 62.300 -0.292 0.000 1.156 139 V CB 0.362 31.988 31.823 -0.327 0.000 1.103 139 V HN -0.067 nan 8.190 nan 0.000 0.453 140 D N 2.859 123.229 120.400 -0.050 0.000 2.133 140 D HA -0.165 4.476 4.640 0.002 0.000 0.195 140 D C 1.302 177.573 176.300 -0.049 0.000 0.997 140 D CA 2.272 56.260 54.000 -0.019 0.000 0.840 140 D CB -0.196 40.655 40.800 0.085 0.000 0.947 140 D HN 0.729 nan 8.370 nan 0.000 0.452 141 N N 0.082 118.760 118.700 -0.037 0.000 2.275 141 N HA 0.063 4.804 4.740 0.002 0.000 0.236 141 N C -0.689 174.791 175.510 -0.051 0.000 1.154 141 N CA -0.144 52.887 53.050 -0.032 0.000 0.866 141 N CB 0.901 39.386 38.487 -0.002 0.000 1.093 141 N HN -0.055 nan 8.380 nan 0.000 0.515 142 E N 1.885 122.023 120.200 -0.104 0.000 2.109 142 E HA 0.145 4.497 4.350 0.002 0.000 0.278 142 E C -2.259 174.253 176.600 -0.147 0.000 0.954 142 E CA -2.009 54.294 56.400 -0.162 0.000 0.779 142 E CB 1.530 31.008 29.700 -0.370 0.000 1.093 142 E HN 0.123 nan 8.360 nan 0.000 0.401 143 P HA 0.095 nan 4.420 nan 0.000 0.226 143 P C 0.603 177.815 177.300 -0.147 0.000 1.783 143 P CA 0.191 63.251 63.100 -0.068 0.000 0.980 143 P CB -0.690 30.994 31.700 -0.027 0.000 1.967 144 I N -4.634 115.725 120.570 -0.351 0.000 3.976 144 I HA 0.333 4.504 4.170 0.002 0.000 0.337 144 I C -0.414 175.296 176.117 -0.679 0.000 1.359 144 I CA -0.416 60.570 61.300 -0.522 0.000 1.098 144 I CB -0.195 37.402 38.000 -0.670 0.000 1.027 144 I HN -0.255 nan 8.210 nan 0.000 0.394 145 F N 3.435 123.354 119.950 -0.053 0.000 2.318 145 F HA 0.471 4.999 4.527 0.002 0.000 0.356 145 F C 0.363 176.227 175.800 0.107 0.000 1.109 145 F CA -0.875 57.134 58.000 0.016 0.000 1.234 145 F CB -0.508 38.562 39.000 0.117 0.000 1.545 145 F HN 0.131 nan 8.300 nan 0.000 0.534 146 H N 1.087 120.281 119.070 0.207 0.000 2.626 146 H HA -0.199 4.358 4.556 0.002 0.000 0.317 146 H C 1.536 176.908 175.328 0.074 0.000 1.140 146 H CA 0.845 56.960 56.048 0.111 0.000 1.134 146 H CB -1.152 28.654 29.762 0.074 0.000 1.486 146 H HN 0.947 nan 8.280 nan 0.000 0.417 147 G N -0.770 108.104 108.800 0.123 0.000 2.234 147 G HA2 -0.302 3.659 3.960 0.002 0.000 0.235 147 G HA3 -0.302 3.659 3.960 0.002 0.000 0.235 147 G C 0.532 175.483 174.900 0.086 0.000 0.997 147 G CA 0.352 45.501 45.100 0.083 0.000 0.623 147 G HN 0.571 nan 8.290 nan 0.000 0.514 148 R N 0.888 121.477 120.500 0.148 0.000 2.674 148 R HA 0.636 4.977 4.340 0.002 0.000 0.266 148 R C 0.749 177.155 176.300 0.176 0.000 1.016 148 R CA 0.087 56.273 56.100 0.144 0.000 1.062 148 R CB 1.001 31.404 30.300 0.171 0.000 1.142 148 R HN 0.358 nan 8.270 nan 0.000 0.517 149 T N -2.182 112.426 114.554 0.091 0.000 2.897 149 T HA 0.363 4.714 4.350 0.002 0.000 0.278 149 T C 1.249 175.937 174.700 -0.019 0.000 0.981 149 T CA -0.399 61.747 62.100 0.076 0.000 0.973 149 T CB 1.473 70.327 68.868 -0.023 0.000 1.092 149 T HN 0.579 nan 8.240 nan 0.000 0.543 150 A N 0.072 122.811 122.820 -0.136 0.000 1.930 150 A HA 0.086 4.407 4.320 0.002 0.000 0.217 150 A C 2.281 179.229 177.584 -1.061 0.000 1.175 150 A CA 0.995 52.625 52.037 -0.679 0.000 0.627 150 A CB -1.070 17.606 19.000 -0.540 0.000 0.815 150 A HN 0.843 nan 8.150 nan 0.000 0.443 151 I N -0.415 119.840 120.570 -0.526 0.000 2.252 151 I HA -0.241 3.930 4.170 0.002 0.000 0.245 151 I C 2.413 178.344 176.117 -0.310 0.000 1.102 151 I CA 1.468 62.548 61.300 -0.366 0.000 1.385 151 I CB -0.488 37.434 38.000 -0.131 0.000 1.064 151 I HN 0.439 nan 8.210 nan 0.000 0.414 152 E N 0.963 121.035 120.200 -0.213 0.000 2.118 152 E HA -0.213 4.139 4.350 0.002 0.000 0.195 152 E C 2.269 178.801 176.600 -0.114 0.000 0.992 152 E CA 1.199 57.538 56.400 -0.102 0.000 0.804 152 E CB -0.071 29.612 29.700 -0.029 0.000 0.741 152 E HN 0.502 nan 8.360 nan 0.000 0.458 153 I N 0.487 120.891 120.570 -0.276 0.000 2.127 153 I HA -0.308 3.864 4.170 0.002 0.000 0.241 153 I C 2.142 178.108 176.117 -0.251 0.000 1.075 153 I CA 1.275 62.435 61.300 -0.233 0.000 1.334 153 I CB -0.355 37.347 38.000 -0.497 0.000 1.040 153 I HN 0.125 nan 8.210 nan 0.000 0.405 154 Y N 0.196 120.142 120.300 -0.591 0.000 2.181 154 Y HA -0.231 4.321 4.550 0.002 0.000 0.288 154 Y C 2.978 178.790 175.900 -0.148 0.000 1.146 154 Y CA 1.161 58.751 58.100 -0.850 0.000 1.164 154 Y CB -1.458 36.294 38.460 -1.179 0.000 0.982 154 Y HN 0.135 nan 8.280 nan 0.000 0.515 155 S N -0.020 115.693 115.700 0.022 0.000 2.351 155 S HA -0.200 4.271 4.470 0.002 0.000 0.220 155 S C 1.840 176.504 174.600 0.107 0.000 1.035 155 S CA 1.763 59.996 58.200 0.055 0.000 1.031 155 S CB -0.470 62.734 63.200 0.006 0.000 0.928 155 S HN 0.441 nan 8.310 nan 0.000 0.433 156 D N -0.407 120.077 120.400 0.140 0.000 2.149 156 D HA -0.128 4.513 4.640 0.002 0.000 0.198 156 D C 1.630 178.061 176.300 0.217 0.000 0.990 156 D CA 1.270 55.389 54.000 0.198 0.000 0.839 156 D CB -0.522 40.457 40.800 0.298 0.000 0.948 156 D HN 0.610 nan 8.370 nan 0.000 0.460 157 Y N 0.936 121.357 120.300 0.201 0.000 2.145 157 Y HA -0.196 4.355 4.550 0.002 0.000 0.286 157 Y C 2.489 178.502 175.900 0.188 0.000 1.145 157 Y CA 1.594 59.828 58.100 0.224 0.000 1.148 157 Y CB -0.177 38.602 38.460 0.532 0.000 0.981 157 Y HN -0.127 nan 8.280 nan 0.000 0.507 158 M N -0.282 119.538 119.600 0.366 0.000 2.175 158 M HA -0.211 4.270 4.480 0.002 0.000 0.264 158 M C 2.032 178.236 176.300 -0.161 0.000 1.063 158 M CA 1.699 57.085 55.300 0.144 0.000 1.119 158 M CB -0.245 32.430 32.600 0.124 0.000 1.377 158 M HN 0.145 nan 8.290 nan 0.000 0.415 159 K N -0.458 119.860 120.400 -0.138 0.000 2.097 159 K HA -0.104 4.218 4.320 0.002 0.000 0.205 159 K C 2.254 178.755 176.600 -0.164 0.000 1.050 159 K CA 1.482 57.658 56.287 -0.184 0.000 0.938 159 K CB -0.235 32.211 32.500 -0.089 0.000 0.718 159 K HN 0.160 nan 8.250 nan 0.000 0.442 160 S N 0.458 116.061 115.700 -0.161 0.000 2.383 160 S HA -0.134 4.337 4.470 0.002 0.000 0.227 160 S C 1.732 176.085 174.600 -0.411 0.000 1.026 160 S CA 0.785 58.864 58.200 -0.203 0.000 0.981 160 S CB -0.262 62.707 63.200 -0.385 0.000 0.818 160 S HN 0.332 nan 8.310 nan 0.000 0.472 161 F N 2.960 122.524 119.950 -0.644 0.000 2.102 161 F HA -0.003 4.525 4.527 0.002 0.000 0.298 161 F C 2.566 178.057 175.800 -0.516 0.000 1.105 161 F CA 1.818 59.220 58.000 -0.996 0.000 1.239 161 F CB -0.395 38.243 39.000 -0.603 0.000 0.991 161 F HN 0.099 nan 8.300 nan 0.000 0.474 162 R N 0.627 121.074 120.500 -0.089 0.000 2.096 162 R HA -0.208 4.134 4.340 0.002 0.000 0.235 162 R C 2.096 178.284 176.300 -0.186 0.000 1.127 162 R CA 1.926 58.002 56.100 -0.041 0.000 0.968 162 R CB -0.566 29.632 30.300 -0.170 0.000 0.861 162 R HN 0.401 nan 8.270 nan 0.000 0.440 163 E N 0.788 120.846 120.200 -0.236 0.000 2.028 163 E HA -0.078 4.273 4.350 0.002 0.000 0.190 163 E C 1.376 177.823 176.600 -0.255 0.000 0.984 163 E CA 1.525 57.810 56.400 -0.192 0.000 0.800 163 E CB -0.339 29.281 29.700 -0.133 0.000 0.758 163 E HN 0.305 nan 8.360 nan 0.000 0.448 164 N N -0.412 118.038 118.700 -0.415 0.000 2.515 164 N HA -0.047 4.694 4.740 0.002 0.000 0.185 164 N C 0.293 175.533 175.510 -0.450 0.000 1.109 164 N CA 0.613 53.404 53.050 -0.431 0.000 0.903 164 N CB 0.208 38.322 38.487 -0.622 0.000 0.969 164 N HN 0.280 nan 8.380 nan 0.000 0.450 165 M N -0.140 119.138 119.600 -0.537 0.000 2.596 165 M HA 0.132 4.613 4.480 0.002 0.000 0.364 165 M C 1.543 177.713 176.300 -0.216 0.000 1.158 165 M CA 0.054 55.120 55.300 -0.390 0.000 0.940 165 M CB -0.238 31.860 32.600 -0.836 0.000 1.388 165 M HN -0.039 nan 8.290 nan 0.000 0.522 166 S N 1.297 116.872 115.700 -0.208 0.000 2.383 166 S HA -0.193 4.278 4.470 0.002 0.000 0.229 166 S C 1.413 175.936 174.600 -0.128 0.000 1.030 166 S CA 1.918 60.041 58.200 -0.129 0.000 1.002 166 S CB -0.488 62.643 63.200 -0.115 0.000 0.829 166 S HN 0.558 nan 8.310 nan 0.000 0.467 167 D N 1.298 121.560 120.400 -0.230 0.000 2.117 167 D HA -0.121 4.520 4.640 0.002 0.000 0.198 167 D C 1.605 177.760 176.300 -0.242 0.000 0.982 167 D CA 0.883 54.710 54.000 -0.288 0.000 0.828 167 D CB -0.927 39.599 40.800 -0.457 0.000 0.967 167 D HN 0.468 nan 8.370 nan 0.000 0.464 168 F N 0.828 120.737 119.950 -0.070 0.000 2.186 168 F HA 0.083 4.611 4.527 0.002 0.000 0.299 168 F C 2.573 178.359 175.800 -0.023 0.000 1.090 168 F CA 0.501 58.474 58.000 -0.045 0.000 1.307 168 F CB -0.692 38.265 39.000 -0.072 0.000 1.019 168 F HN -0.078 nan 8.300 nan 0.000 0.489 169 L N -0.662 120.639 121.223 0.129 0.000 2.141 169 L HA -0.147 4.194 4.340 0.002 0.000 0.209 169 L C 2.552 179.464 176.870 0.070 0.000 1.094 169 L CA 1.072 55.972 54.840 0.099 0.000 0.763 169 L CB -0.472 41.640 42.059 0.090 0.000 0.908 169 L HN 0.059 nan 8.230 nan 0.000 0.437 170 E N 0.066 120.286 120.200 0.033 0.000 2.072 170 E HA -0.145 4.206 4.350 0.002 0.000 0.190 170 E C 2.295 178.913 176.600 0.031 0.000 0.982 170 E CA 1.492 57.903 56.400 0.019 0.000 0.803 170 E CB 0.054 29.744 29.700 -0.016 0.000 0.755 170 E HN 0.463 nan 8.360 nan 0.000 0.453 171 S N -1.004 114.720 115.700 0.040 0.000 2.555 171 S HA 0.072 4.544 4.470 0.002 0.000 0.230 171 S C 1.483 176.133 174.600 0.084 0.000 0.978 171 S CA 0.891 59.126 58.200 0.057 0.000 0.934 171 S CB 0.060 63.301 63.200 0.068 0.000 0.766 171 S HN 0.319 nan 8.310 nan 0.000 0.533 172 G N 0.720 109.576 108.800 0.093 0.000 2.136 172 G HA2 -0.258 3.703 3.960 0.002 0.000 0.242 172 G HA3 -0.258 3.703 3.960 0.002 0.000 0.242 172 G C 0.386 175.361 174.900 0.124 0.000 0.989 172 G CA 0.348 45.508 45.100 0.100 0.000 0.682 172 G HN 0.626 nan 8.290 nan 0.000 0.522 173 L N 0.260 121.573 121.223 0.151 0.000 2.056 173 L HA 0.372 4.713 4.340 0.002 0.000 0.207 173 L C 1.541 178.482 176.870 0.119 0.000 1.078 173 L CA 1.500 56.429 54.840 0.148 0.000 0.749 173 L CB 0.004 42.172 42.059 0.183 0.000 0.901 173 L HN 0.379 nan 8.230 nan 0.000 0.433 174 I N 1.135 121.774 120.570 0.114 0.000 2.291 174 I HA 0.058 4.229 4.170 0.002 0.000 0.292 174 I C 0.892 177.051 176.117 0.070 0.000 1.064 174 I CA -0.403 60.948 61.300 0.084 0.000 1.269 174 I CB 0.971 39.030 38.000 0.100 0.000 1.418 174 I HN 0.201 nan 8.210 nan 0.000 0.485 175 I N 2.506 123.117 120.570 0.069 0.000 2.703 175 I HA 0.145 4.316 4.170 0.002 0.000 0.259 175 I C 0.357 176.496 176.117 0.037 0.000 1.151 175 I CA 0.421 61.771 61.300 0.085 0.000 1.470 175 I CB -0.710 37.373 38.000 0.139 0.000 1.112 175 I HN 0.634 nan 8.210 nan 0.000 0.437 176 D N -0.429 119.950 120.400 -0.034 0.000 2.654 176 D HA 0.469 5.110 4.640 0.002 0.000 0.231 176 D C -1.030 175.162 176.300 -0.181 0.000 1.239 176 D CA -0.624 53.323 54.000 -0.088 0.000 0.790 176 D CB 1.501 42.280 40.800 -0.036 0.000 1.480 176 D HN -0.110 nan 8.370 nan 0.000 0.442 177 I N 1.257 121.666 120.570 -0.269 0.000 2.354 177 I HA 0.286 4.457 4.170 0.002 0.000 0.286 177 I C -0.155 175.817 176.117 -0.242 0.000 1.007 177 I CA -0.511 60.569 61.300 -0.368 0.000 1.167 177 I CB 0.833 38.399 38.000 -0.724 0.000 1.320 177 I HN 0.645 nan 8.210 nan 0.000 0.458 178 E N 6.239 126.317 120.200 -0.204 0.000 2.130 178 E HA 0.353 4.704 4.350 0.002 0.000 0.284 178 E C -1.106 175.404 176.600 -0.149 0.000 1.018 178 E CA -0.471 55.841 56.400 -0.147 0.000 0.817 178 E CB 1.225 30.851 29.700 -0.124 0.000 1.078 178 E HN 0.363 nan 8.360 nan 0.000 0.396 179 V N 4.790 124.641 119.914 -0.104 0.000 2.408 179 V HA 0.276 4.398 4.120 0.002 0.000 0.267 179 V C 0.968 177.026 176.094 -0.061 0.000 1.047 179 V CA -0.236 62.028 62.300 -0.060 0.000 0.937 179 V CB 1.091 32.900 31.823 -0.023 0.000 0.999 179 V HN 0.806 nan 8.190 nan 0.000 0.472 180 G N 4.371 113.146 108.800 -0.041 0.000 2.398 180 G HA2 0.387 4.349 3.960 0.002 0.000 0.246 180 G HA3 0.387 4.349 3.960 0.002 0.000 0.246 180 G C 0.203 175.101 174.900 -0.003 0.000 1.289 180 G CA -0.243 44.849 45.100 -0.015 0.000 0.869 180 G HN 0.755 nan 8.290 nan 0.000 0.543 181 L N 1.962 123.122 121.223 -0.106 0.000 3.298 181 L HA 0.439 4.780 4.340 0.002 0.000 0.296 181 L C 1.031 177.704 176.870 -0.329 0.000 1.237 181 L CA 0.277 55.078 54.840 -0.065 0.000 1.038 181 L CB 0.136 42.163 42.059 -0.053 0.000 1.423 181 L HN 0.880 nan 8.230 nan 0.000 0.605 182 G N -0.584 107.673 108.800 -0.905 0.000 2.360 182 G HA2 0.174 4.135 3.960 0.002 0.000 0.276 182 G HA3 0.174 4.135 3.960 0.002 0.000 0.276 182 G C -3.186 171.192 174.900 -0.872 0.000 1.256 182 G CA -0.693 43.513 45.100 -1.489 0.000 0.890 182 G HN -0.315 nan 8.290 nan 0.000 0.486 183 P HA 0.377 nan 4.420 nan 0.000 0.265 183 P C 0.602 177.723 177.300 -0.298 0.000 1.193 183 P CA 1.889 64.871 63.100 -0.197 0.000 0.765 183 P CB 1.177 32.786 31.700 -0.152 0.000 0.823 184 A N 3.742 126.417 122.820 -0.241 0.000 2.816 184 A HA -0.101 4.220 4.320 0.002 0.000 0.270 184 A C 1.583 178.745 177.584 -0.703 0.000 1.413 184 A CA 1.398 53.276 52.037 -0.264 0.000 0.866 184 A CB -2.450 16.493 19.000 -0.095 0.000 1.032 184 A HN 1.032 nan 8.150 nan 0.000 0.642 185 G N -2.036 105.913 108.800 -1.419 0.000 2.189 185 G HA2 -0.290 3.671 3.960 0.002 0.000 0.267 185 G HA3 -0.290 3.671 3.960 0.002 0.000 0.267 185 G C -0.115 174.563 174.900 -0.370 0.000 0.975 185 G CA 1.142 45.732 45.100 -0.849 0.000 0.644 185 G HN 1.285 nan 8.290 nan 0.000 0.537 186 E N -0.698 119.311 120.200 -0.318 0.000 2.283 186 E HA 0.527 4.878 4.350 0.002 0.000 0.271 186 E C -0.057 176.447 176.600 -0.160 0.000 1.031 186 E CA -1.086 55.220 56.400 -0.155 0.000 0.868 186 E CB 1.591 31.252 29.700 -0.066 0.000 1.094 186 E HN 0.153 nan 8.360 nan 0.000 0.401 187 L N 4.162 125.359 121.223 -0.044 0.000 2.404 187 L HA 0.164 4.505 4.340 0.002 0.000 0.277 187 L C -0.286 176.540 176.870 -0.073 0.000 1.184 187 L CA 0.725 55.541 54.840 -0.040 0.000 1.013 187 L CB -1.099 40.987 42.059 0.046 0.000 1.318 187 L HN 0.582 nan 8.230 nan 0.000 0.435 188 R N 1.883 122.213 120.500 -0.284 0.000 2.764 188 R HA 0.364 4.705 4.340 0.002 0.000 0.276 188 R C -1.572 174.393 176.300 -0.557 0.000 1.021 188 R CA -0.999 54.835 56.100 -0.442 0.000 0.870 188 R CB 0.442 30.567 30.300 -0.291 0.000 1.293 188 R HN 0.096 nan 8.270 nan 0.000 0.469 189 Y N 0.537 120.562 120.300 -0.457 0.000 2.376 189 Y HA 0.391 4.943 4.550 0.002 0.000 0.325 189 Y C -1.690 173.992 175.900 -0.363 0.000 1.199 189 Y CA -2.292 55.466 58.100 -0.569 0.000 1.206 189 Y CB 1.344 39.532 38.460 -0.454 0.000 1.229 189 Y HN 0.384 nan 8.280 nan 0.000 0.480 190 P HA 0.024 nan 4.420 nan 0.000 0.230 190 P C 0.118 177.384 177.300 -0.058 0.000 1.791 190 P CA 0.122 63.135 63.100 -0.145 0.000 1.020 190 P CB -0.071 31.615 31.700 -0.022 0.000 1.977 191 S N 0.400 116.101 115.700 0.001 0.000 2.489 191 S HA -0.101 4.370 4.470 0.002 0.000 0.228 191 S C 0.748 175.456 174.600 0.179 0.000 0.995 191 S CA 0.146 58.441 58.200 0.157 0.000 0.934 191 S CB -0.944 62.352 63.200 0.161 0.000 0.771 191 S HN 0.409 nan 8.310 nan 0.000 0.522 192 Y N 0.124 120.242 120.300 -0.303 0.000 2.473 192 Y HA 0.601 5.153 4.550 0.002 0.000 0.345 192 Y C -3.167 172.374 175.900 -0.597 0.000 0.932 192 Y CA -4.087 53.503 58.100 -0.850 0.000 1.124 192 Y CB -0.408 36.981 38.460 -1.784 0.000 1.162 192 Y HN 0.003 nan 8.280 nan 0.000 0.629 193 P HA 0.012 nan 4.420 nan 0.000 0.276 193 P C 0.396 177.637 177.300 -0.100 0.000 1.253 193 P CA 0.174 63.106 63.100 -0.281 0.000 0.766 193 P CB 2.069 33.615 31.700 -0.256 0.000 0.845 194 Q N 3.487 123.301 119.800 0.024 0.000 2.119 194 Q HA -0.140 4.202 4.340 0.002 0.000 0.201 194 Q C 1.799 177.808 176.000 0.014 0.000 0.972 194 Q CA 2.236 58.107 55.803 0.113 0.000 0.847 194 Q CB -0.188 28.617 28.738 0.113 0.000 0.903 194 Q HN 0.578 nan 8.270 nan 0.000 0.433 195 S N -0.087 115.595 115.700 -0.030 0.000 2.419 195 S HA -0.182 4.289 4.470 0.002 0.000 0.235 195 S C 1.383 175.952 174.600 -0.051 0.000 1.019 195 S CA 1.262 59.439 58.200 -0.039 0.000 0.982 195 S CB -0.172 62.999 63.200 -0.048 0.000 0.789 195 S HN 0.489 nan 8.310 nan 0.000 0.490 196 Q N 0.402 120.139 119.800 -0.105 0.000 2.204 196 Q HA 0.385 4.726 4.340 0.002 0.000 0.209 196 Q C 1.153 177.104 176.000 -0.081 0.000 0.861 196 Q CA 0.196 55.931 55.803 -0.113 0.000 0.971 196 Q CB 0.491 29.096 28.738 -0.221 0.000 1.095 196 Q HN 0.766 nan 8.270 nan 0.000 0.486 197 G N 0.940 109.719 108.800 -0.035 0.000 2.175 197 G HA2 -0.273 3.688 3.960 0.002 0.000 0.244 197 G HA3 -0.273 3.688 3.960 0.002 0.000 0.244 197 G C -0.229 174.700 174.900 0.048 0.000 0.982 197 G CA -0.162 44.946 45.100 0.015 0.000 0.641 197 G HN 0.492 nan 8.290 nan 0.000 0.527 198 W N 2.010 123.216 121.300 -0.156 0.000 2.231 198 W HA 0.532 5.193 4.660 0.002 0.000 0.341 198 W C 0.254 176.771 176.519 -0.003 0.000 1.298 198 W CA 0.658 57.971 57.345 -0.053 0.000 1.266 198 W CB 0.432 29.846 29.460 -0.077 0.000 1.172 198 W HN 0.225 nan 8.180 nan 0.000 0.568 199 E N 5.645 125.176 120.200 -1.115 0.000 2.290 199 E HA 0.112 4.463 4.350 0.002 0.000 0.274 199 E C -1.374 174.255 176.600 -1.618 0.000 0.889 199 E CA -1.237 54.480 56.400 -1.137 0.000 0.760 199 E CB 1.529 30.932 29.700 -0.494 0.000 1.206 199 E HN 0.331 nan 8.360 nan 0.000 0.419 200 F N 5.469 124.400 119.950 -1.698 0.000 2.629 200 F HA 0.045 4.573 4.527 0.002 0.000 0.377 200 F C -1.536 173.865 175.800 -0.664 0.000 1.101 200 F CA -0.694 56.611 58.000 -1.159 0.000 1.301 200 F CB 0.731 39.287 39.000 -0.739 0.000 1.062 200 F HN 0.244 nan 8.300 nan 0.000 0.583 201 P HA 0.227 nan 4.420 nan 0.000 0.223 201 P C -0.161 176.976 177.300 -0.272 0.000 1.878 201 P CA -0.229 62.026 63.100 -1.409 0.000 1.038 201 P CB 0.165 30.800 31.700 -1.774 0.000 1.774 202 G N 1.481 110.168 108.800 -0.189 0.000 2.414 202 G HA2 0.068 4.029 3.960 0.002 0.000 0.236 202 G HA3 0.068 4.029 3.960 0.002 0.000 0.236 202 G C 1.247 176.594 174.900 0.745 0.000 1.293 202 G CA -0.558 44.707 45.100 0.275 0.000 0.869 202 G HN 0.394 nan 8.290 nan 0.000 0.556 203 I N 0.642 121.462 120.570 0.416 0.000 2.700 203 I HA 0.215 4.386 4.170 0.002 0.000 0.261 203 I C 1.304 177.519 176.117 0.163 0.000 1.219 203 I CA 0.595 61.978 61.300 0.139 0.000 1.463 203 I CB -0.952 36.799 38.000 -0.415 0.000 1.092 203 I HN 0.954 nan 8.210 nan 0.000 0.452 204 G N 1.207 110.230 108.800 0.371 0.000 2.760 204 G HA2 -0.185 3.776 3.960 0.002 0.000 0.246 204 G HA3 -0.185 3.776 3.960 0.002 0.000 0.246 204 G C -0.741 174.170 174.900 0.017 0.000 1.359 204 G CA -0.248 45.058 45.100 0.344 0.000 0.861 204 G HN 0.569 nan 8.290 nan 0.000 0.541 205 E N -1.262 118.917 120.200 -0.035 0.000 2.367 205 E HA 0.556 4.908 4.350 0.002 0.000 0.273 205 E C -0.792 175.714 176.600 -0.157 0.000 0.903 205 E CA -0.867 55.358 56.400 -0.292 0.000 0.764 205 E CB 1.492 30.815 29.700 -0.629 0.000 1.252 205 E HN 0.317 nan 8.360 nan 0.000 0.446 206 F N 1.542 121.457 119.950 -0.059 0.000 2.518 206 F HA 0.060 4.588 4.527 0.002 0.000 0.359 206 F C 1.192 177.044 175.800 0.088 0.000 1.118 206 F CA 0.103 58.039 58.000 -0.106 0.000 1.287 206 F CB 0.570 39.376 39.000 -0.322 0.000 1.132 206 F HN 0.194 nan 8.300 nan 0.000 0.587 207 Q N 2.806 122.764 119.800 0.264 0.000 2.462 207 Q HA 0.194 4.535 4.340 0.002 0.000 0.395 207 Q C 0.045 176.238 176.000 0.322 0.000 0.911 207 Q CA 0.034 56.016 55.803 0.298 0.000 1.112 207 Q CB 0.683 29.526 28.738 0.175 0.000 1.350 207 Q HN 0.796 nan 8.270 nan 0.000 0.407 208 C N -2.367 117.056 119.300 0.204 0.000 2.742 208 C HA 0.440 4.902 4.460 0.002 0.000 0.283 208 C C 0.724 175.663 174.990 -0.085 0.000 1.451 208 C CA -0.643 58.462 59.018 0.145 0.000 1.785 208 C CB -1.608 26.241 27.740 0.181 0.000 2.664 208 C HN 0.343 nan 8.230 nan 0.000 0.544 209 Y N 1.928 122.370 120.300 0.235 0.000 2.457 209 Y HA 0.182 4.733 4.550 0.002 0.000 0.263 209 Y C 0.994 177.009 175.900 0.193 0.000 1.164 209 Y CA -0.567 57.635 58.100 0.169 0.000 1.274 209 Y CB -0.391 38.130 38.460 0.100 0.000 1.097 209 Y HN 0.514 nan 8.280 nan 0.000 0.523 210 D N 0.159 120.771 120.400 0.352 0.000 2.368 210 D HA -0.006 4.635 4.640 0.002 0.000 0.240 210 D C 1.273 177.694 176.300 0.202 0.000 1.169 210 D CA -0.398 53.779 54.000 0.294 0.000 0.906 210 D CB 0.843 41.851 40.800 0.347 0.000 1.187 210 D HN 0.283 nan 8.370 nan 0.000 0.435 211 K N 0.504 120.941 120.400 0.062 0.000 2.152 211 K HA -0.288 4.034 4.320 0.002 0.000 0.206 211 K C 1.256 177.794 176.600 -0.104 0.000 1.048 211 K CA 1.142 57.381 56.287 -0.080 0.000 0.933 211 K CB -0.536 31.818 32.500 -0.244 0.000 0.721 211 K HN 0.537 nan 8.250 nan 0.000 0.447 212 Y N 1.657 122.036 120.300 0.132 0.000 2.133 212 Y HA -0.071 4.480 4.550 0.002 0.000 0.287 212 Y C 2.318 178.346 175.900 0.213 0.000 1.134 212 Y CA 1.094 59.277 58.100 0.137 0.000 1.133 212 Y CB -0.404 38.118 38.460 0.103 0.000 0.987 212 Y HN -0.091 nan 8.280 nan 0.000 0.502 213 L N 0.009 121.485 121.223 0.421 0.000 2.141 213 L HA -0.206 4.135 4.340 0.002 0.000 0.209 213 L C 2.467 179.608 176.870 0.451 0.000 1.094 213 L CA 1.393 56.538 54.840 0.508 0.000 0.763 213 L CB -0.438 41.940 42.059 0.531 0.000 0.908 213 L HN 0.198 nan 8.230 nan 0.000 0.437 214 K N 0.484 121.045 120.400 0.269 0.000 2.097 214 K HA -0.157 4.164 4.320 0.002 0.000 0.205 214 K C 2.109 178.808 176.600 0.166 0.000 1.050 214 K CA 1.268 57.657 56.287 0.169 0.000 0.938 214 K CB -0.011 32.560 32.500 0.118 0.000 0.718 214 K HN 0.256 nan 8.250 nan 0.000 0.442 215 A N 1.225 124.138 122.820 0.156 0.000 1.968 215 A HA -0.167 4.154 4.320 0.002 0.000 0.217 215 A C 1.906 179.592 177.584 0.171 0.000 1.169 215 A CA 1.639 53.749 52.037 0.122 0.000 0.638 215 A CB -0.528 18.527 19.000 0.092 0.000 0.812 215 A HN 0.482 nan 8.150 nan 0.000 0.446 216 D N -0.710 119.864 120.400 0.289 0.000 2.087 216 D HA -0.192 4.449 4.640 0.002 0.000 0.192 216 D C 1.736 178.238 176.300 0.337 0.000 0.993 216 D CA 1.491 55.730 54.000 0.398 0.000 0.828 216 D CB -0.342 40.831 40.800 0.620 0.000 0.968 216 D HN 0.318 nan 8.370 nan 0.000 0.448 217 F N 1.802 121.739 119.950 -0.022 0.000 2.126 217 F HA -0.108 4.420 4.527 0.002 0.000 0.299 217 F C 2.403 178.066 175.800 -0.229 0.000 1.096 217 F CA 1.640 59.276 58.000 -0.607 0.000 1.255 217 F CB -0.334 38.053 39.000 -1.021 0.000 0.997 217 F HN -0.099 nan 8.300 nan 0.000 0.479 218 K N 0.166 120.497 120.400 -0.116 0.000 2.063 218 K HA -0.173 4.149 4.320 0.002 0.000 0.208 218 K C 2.192 178.700 176.600 -0.154 0.000 1.048 218 K CA 1.334 57.524 56.287 -0.163 0.000 0.928 218 K CB -0.433 32.047 32.500 -0.034 0.000 0.713 218 K HN 0.305 nan 8.250 nan 0.000 0.442 219 A N 0.753 123.544 122.820 -0.048 0.000 1.969 219 A HA -0.027 4.294 4.320 0.002 0.000 0.218 219 A C 2.242 179.817 177.584 -0.015 0.000 1.169 219 A CA 1.610 53.641 52.037 -0.010 0.000 0.635 219 A CB -0.565 18.472 19.000 0.062 0.000 0.810 219 A HN 0.482 nan 8.150 nan 0.000 0.445 220 A N 0.035 122.849 122.820 -0.010 0.000 1.872 220 A HA 0.028 4.349 4.320 0.002 0.000 0.214 220 A C 2.289 179.868 177.584 -0.008 0.000 1.187 220 A CA 1.970 54.068 52.037 0.101 0.000 0.614 220 A CB -1.185 17.947 19.000 0.220 0.000 0.826 220 A HN 1.080 nan 8.150 nan 0.000 0.442 221 V N -2.318 117.390 119.914 -0.344 0.000 2.515 221 V HA -0.012 4.109 4.120 0.002 0.000 0.250 221 V C 2.489 178.353 176.094 -0.382 0.000 1.058 221 V CA 1.661 63.656 62.300 -0.508 0.000 1.064 221 V CB -1.478 29.982 31.823 -0.604 0.000 0.675 221 V HN 0.486 nan 8.190 nan 0.000 0.461 222 A N 0.744 123.406 122.820 -0.264 0.000 1.902 222 A HA -0.152 4.169 4.320 0.002 0.000 0.217 222 A C 2.450 179.925 177.584 -0.180 0.000 1.181 222 A CA 1.915 53.825 52.037 -0.211 0.000 0.623 222 A CB -0.610 18.307 19.000 -0.139 0.000 0.818 222 A HN 0.537 nan 8.150 nan 0.000 0.443 223 R N -0.661 119.775 120.500 -0.106 0.000 2.096 223 R HA -0.088 4.253 4.340 0.002 0.000 0.235 223 R C 2.165 178.413 176.300 -0.086 0.000 1.127 223 R CA 1.141 57.209 56.100 -0.052 0.000 0.968 223 R CB -0.388 29.935 30.300 0.039 0.000 0.861 223 R HN 0.501 nan 8.270 nan 0.000 0.440 224 A N 0.027 122.761 122.820 -0.144 0.000 2.235 224 A HA 0.141 4.462 4.320 0.002 0.000 0.208 224 A C 1.340 178.685 177.584 -0.398 0.000 1.172 224 A CA 0.850 52.770 52.037 -0.195 0.000 0.786 224 A CB -0.182 18.613 19.000 -0.341 0.000 0.804 224 A HN 0.472 nan 8.150 nan 0.000 0.479 225 G N -1.200 107.340 108.800 -0.433 0.000 2.147 225 G HA2 -0.220 3.741 3.960 0.002 0.000 0.244 225 G HA3 -0.220 3.741 3.960 0.002 0.000 0.244 225 G C -0.016 174.331 174.900 -0.921 0.000 1.005 225 G CA 0.384 45.147 45.100 -0.562 0.000 0.713 225 G HN 0.685 nan 8.290 nan 0.000 0.515 226 H N -0.418 118.231 119.070 -0.701 0.000 2.439 226 H HA 0.215 4.772 4.556 0.002 0.000 0.230 226 H C -1.666 173.238 175.328 -0.707 0.000 1.420 226 H CA -0.790 54.655 56.048 -1.004 0.000 1.305 226 H CB 1.409 29.840 29.762 -2.217 0.000 1.667 226 H HN 0.275 nan 8.280 nan 0.000 0.515 227 P HA -0.140 nan 4.420 nan 0.000 0.225 227 P C 1.244 178.458 177.300 -0.143 0.000 1.148 227 P CA 0.912 63.875 63.100 -0.229 0.000 0.779 227 P CB 0.428 32.018 31.700 -0.183 0.000 0.780 228 E N -1.325 118.785 120.200 -0.149 0.000 2.482 228 E HA -0.113 4.238 4.350 0.002 0.000 0.196 228 E C -0.076 176.608 176.600 0.140 0.000 1.047 228 E CA 0.150 56.537 56.400 -0.022 0.000 0.869 228 E CB -0.556 29.134 29.700 -0.017 0.000 0.836 228 E HN 0.200 nan 8.360 nan 0.000 0.520 229 W N 2.634 123.882 121.300 -0.086 0.000 2.345 229 W HA 0.325 4.986 4.660 0.002 0.000 0.308 229 W C 0.564 177.087 176.519 0.007 0.000 1.273 229 W CA -0.916 56.388 57.345 -0.070 0.000 1.243 229 W CB 0.442 29.811 29.460 -0.153 0.000 1.260 229 W HN -0.105 nan 8.180 nan 0.000 0.509 230 E N 2.014 122.378 120.200 0.274 0.000 2.264 230 E HA 0.420 4.771 4.350 0.002 0.000 0.260 230 E C 0.052 176.738 176.600 0.143 0.000 0.961 230 E CA -1.234 55.301 56.400 0.226 0.000 0.834 230 E CB 1.771 31.529 29.700 0.096 0.000 1.230 230 E HN 0.233 nan 8.360 nan 0.000 0.412 231 L N 1.722 122.904 121.223 -0.069 0.000 2.482 231 L HA 0.079 4.421 4.340 0.002 0.000 0.273 231 L C -1.925 174.645 176.870 -0.501 0.000 1.228 231 L CA -1.365 53.107 54.840 -0.613 0.000 0.827 231 L CB -0.375 41.269 42.059 -0.691 0.000 1.099 231 L HN 0.154 nan 8.230 nan 0.000 0.494 232 P HA -0.088 nan 4.420 nan 0.000 0.261 232 P C -0.689 176.457 177.300 -0.256 0.000 1.173 232 P CA 0.455 63.155 63.100 -0.668 0.000 0.760 232 P CB 0.302 31.288 31.700 -1.190 0.000 0.783 233 D N 1.109 121.405 120.400 -0.173 0.000 2.556 233 D HA 0.017 4.659 4.640 0.002 0.000 0.237 233 D C -0.187 176.065 176.300 -0.079 0.000 1.296 233 D CA -0.047 53.891 54.000 -0.102 0.000 0.807 233 D CB -0.176 40.584 40.800 -0.066 0.000 1.084 233 D HN 0.305 nan 8.370 nan 0.000 0.510 234 D N -0.319 120.039 120.400 -0.070 0.000 2.785 234 D HA 0.241 4.882 4.640 0.002 0.000 0.324 234 D C 0.616 176.926 176.300 0.016 0.000 1.523 234 D CA -0.421 53.569 54.000 -0.017 0.000 0.789 234 D CB -0.010 40.797 40.800 0.011 0.000 1.171 234 D HN 0.084 nan 8.370 nan 0.000 0.447 235 A N 0.117 122.910 122.820 -0.046 0.000 2.308 235 A HA 0.650 4.971 4.320 0.002 0.000 0.217 235 A C 1.503 179.107 177.584 0.034 0.000 1.216 235 A CA 0.599 52.629 52.037 -0.012 0.000 0.864 235 A CB -0.306 18.619 19.000 -0.124 0.000 0.902 235 A HN 0.770 nan 8.150 nan 0.000 0.499 236 G N -0.202 108.586 108.800 -0.021 0.000 2.525 236 G HA2 -0.226 3.735 3.960 0.002 0.000 0.248 236 G HA3 -0.226 3.735 3.960 0.002 0.000 0.248 236 G C -0.198 174.641 174.900 -0.102 0.000 1.238 236 G CA 0.310 45.387 45.100 -0.038 0.000 0.926 236 G HN 0.640 nan 8.290 nan 0.000 0.574 237 K N -1.468 118.877 120.400 -0.091 0.000 2.433 237 K HA 0.618 4.939 4.320 0.002 0.000 0.252 237 K C 0.892 177.453 176.600 -0.066 0.000 1.015 237 K CA -0.839 55.356 56.287 -0.154 0.000 0.860 237 K CB 1.242 33.698 32.500 -0.073 0.000 1.359 237 K HN 0.377 nan 8.250 nan 0.000 0.452 238 Y N 0.766 121.132 120.300 0.109 0.000 2.096 238 Y HA -0.320 4.231 4.550 0.002 0.000 0.276 238 Y C 1.198 177.255 175.900 0.262 0.000 1.209 238 Y CA 2.001 60.252 58.100 0.251 0.000 1.137 238 Y CB -0.580 38.078 38.460 0.331 0.000 0.956 238 Y HN 0.590 nan 8.280 nan 0.000 0.506 239 N N -0.257 118.600 118.700 0.262 0.000 2.268 239 N HA -0.002 4.739 4.740 0.002 0.000 0.204 239 N C -0.401 175.141 175.510 0.053 0.000 1.124 239 N CA -0.294 52.812 53.050 0.093 0.000 0.838 239 N CB 0.168 38.657 38.487 0.002 0.000 0.994 239 N HN 0.238 nan 8.380 nan 0.000 0.489 240 D N 0.865 121.293 120.400 0.047 0.000 2.398 240 D HA 0.116 4.757 4.640 0.002 0.000 0.247 240 D C 0.345 176.618 176.300 -0.046 0.000 1.227 240 D CA -0.054 53.943 54.000 -0.006 0.000 0.980 240 D CB 1.442 42.227 40.800 -0.026 0.000 1.106 240 D HN -0.144 nan 8.370 nan 0.000 0.493 241 V N -1.665 118.183 119.914 -0.110 0.000 2.769 241 V HA 0.337 4.458 4.120 0.002 0.000 0.312 241 V C -1.717 174.131 176.094 -0.409 0.000 1.058 241 V CA -1.496 60.627 62.300 -0.296 0.000 0.952 241 V CB 1.605 33.361 31.823 -0.111 0.000 1.019 241 V HN 0.349 nan 8.190 nan 0.000 0.445 242 P HA -0.216 nan 4.420 nan 0.000 0.216 242 P C 1.200 178.412 177.300 -0.146 0.000 1.157 242 P CA 1.673 64.514 63.100 -0.432 0.000 0.880 242 P CB 0.411 31.745 31.700 -0.611 0.000 0.791 243 E N 0.118 120.224 120.200 -0.157 0.000 2.401 243 E HA -0.089 4.262 4.350 0.002 0.000 0.199 243 E C 1.910 178.494 176.600 -0.026 0.000 1.023 243 E CA 1.026 57.395 56.400 -0.053 0.000 0.859 243 E CB -0.819 28.859 29.700 -0.038 0.000 0.780 243 E HN 0.344 nan 8.360 nan 0.000 0.523 244 S N -1.437 114.239 115.700 -0.041 0.000 2.575 244 S HA 0.053 4.524 4.470 0.002 0.000 0.215 244 S C 0.717 175.319 174.600 0.005 0.000 0.966 244 S CA 0.138 58.328 58.200 -0.017 0.000 0.911 244 S CB -0.242 62.944 63.200 -0.024 0.000 0.780 244 S HN 0.132 nan 8.310 nan 0.000 0.514 245 T N -3.120 111.452 114.554 0.031 0.000 2.932 245 T HA 0.712 5.063 4.350 0.002 0.000 0.289 245 T C 1.203 175.946 174.700 0.073 0.000 1.039 245 T CA -0.239 61.903 62.100 0.070 0.000 1.024 245 T CB 1.327 70.287 68.868 0.155 0.000 1.090 245 T HN 0.041 nan 8.240 nan 0.000 0.496 246 G N -0.105 108.732 108.800 0.060 0.000 2.430 246 G HA2 -0.012 3.950 3.960 0.002 0.000 0.216 246 G HA3 -0.012 3.950 3.960 0.002 0.000 0.216 246 G C 0.963 175.883 174.900 0.034 0.000 1.146 246 G CA 0.007 45.129 45.100 0.037 0.000 0.793 246 G HN 0.674 nan 8.290 nan 0.000 0.537 247 F N 0.358 120.236 119.950 -0.120 0.000 2.128 247 F HA 0.199 4.727 4.527 0.002 0.000 0.295 247 F C 1.766 177.411 175.800 -0.259 0.000 1.100 247 F CA 0.981 58.824 58.000 -0.262 0.000 1.260 247 F CB 0.165 38.876 39.000 -0.481 0.000 1.009 247 F HN 0.099 nan 8.300 nan 0.000 0.476 248 F N 0.757 120.801 119.950 0.156 0.000 2.749 248 F HA 0.154 4.682 4.527 0.002 0.000 0.300 248 F C 1.045 176.802 175.800 -0.071 0.000 1.103 248 F CA -0.303 57.654 58.000 -0.073 0.000 1.342 248 F CB -0.740 38.171 39.000 -0.148 0.000 1.098 248 F HN -0.187 nan 8.300 nan 0.000 0.586 249 K N -0.088 120.401 120.400 0.148 0.000 2.120 249 K HA 0.255 4.577 4.320 0.002 0.000 0.245 249 K C 0.647 177.342 176.600 0.159 0.000 1.024 249 K CA -0.509 55.839 56.287 0.102 0.000 0.906 249 K CB 0.545 33.078 32.500 0.054 0.000 1.051 249 K HN -0.087 nan 8.250 nan 0.000 0.491 250 S N 1.339 117.105 115.700 0.110 0.000 2.563 250 S HA -0.067 4.404 4.470 0.002 0.000 0.294 250 S C 0.101 174.730 174.600 0.048 0.000 1.279 250 S CA 0.306 58.568 58.200 0.103 0.000 1.069 250 S CB -0.761 62.474 63.200 0.058 0.000 0.828 250 S HN 0.870 nan 8.310 nan 0.000 0.497 251 N N 1.484 120.184 118.700 -0.000 0.000 2.753 251 N HA -0.145 4.596 4.740 0.002 0.000 0.251 251 N C 0.521 175.968 175.510 -0.105 0.000 1.097 251 N CA 1.053 54.053 53.050 -0.084 0.000 0.786 251 N CB -1.865 36.591 38.487 -0.051 0.000 1.137 251 N HN 0.759 nan 8.380 nan 0.000 0.566 252 G N 0.074 108.843 108.800 -0.051 0.000 2.529 252 G HA2 0.168 4.129 3.960 0.002 0.000 0.277 252 G HA3 0.168 4.129 3.960 0.002 0.000 0.277 252 G C 1.133 175.891 174.900 -0.236 0.000 1.383 252 G CA 0.759 45.817 45.100 -0.071 0.000 1.050 252 G HN 0.147 nan 8.290 nan 0.000 0.526 253 T N -0.154 114.210 114.554 -0.316 0.000 2.833 253 T HA -0.196 4.155 4.350 0.002 0.000 0.269 253 T C 2.016 176.271 174.700 -0.742 0.000 1.054 253 T CA 2.071 63.888 62.100 -0.472 0.000 1.135 253 T CB -0.422 68.218 68.868 -0.379 0.000 0.869 253 T HN 0.623 nan 8.240 nan 0.000 0.466 254 Y N 2.038 121.610 120.300 -1.212 0.000 2.483 254 Y HA 0.006 4.557 4.550 0.002 0.000 0.291 254 Y C 1.958 177.638 175.900 -0.366 0.000 1.143 254 Y CA 0.283 57.797 58.100 -0.977 0.000 1.289 254 Y CB -1.024 36.976 38.460 -0.768 0.000 0.983 254 Y HN 0.181 nan 8.280 nan 0.000 0.556 255 V N -1.605 117.813 119.914 -0.826 0.000 3.647 255 V HA 0.187 4.308 4.120 0.002 0.000 0.279 255 V C 0.898 176.801 176.094 -0.319 0.000 1.314 255 V CA 0.187 62.122 62.300 -0.608 0.000 1.125 255 V CB -1.285 30.137 31.823 -0.670 0.000 0.907 255 V HN 0.490 nan 8.190 nan 0.000 0.434 256 T N -2.272 112.102 114.554 -0.299 0.000 2.849 256 T HA 0.273 4.624 4.350 0.002 0.000 0.284 256 T C 1.036 175.637 174.700 -0.166 0.000 1.004 256 T CA 0.513 62.490 62.100 -0.205 0.000 1.021 256 T CB 1.752 70.490 68.868 -0.216 0.000 1.013 256 T HN 0.494 nan 8.240 nan 0.000 0.527 257 E N 0.738 120.873 120.200 -0.108 0.000 2.085 257 E HA -0.254 4.097 4.350 0.002 0.000 0.194 257 E C 2.051 178.503 176.600 -0.247 0.000 0.994 257 E CA 1.448 57.819 56.400 -0.048 0.000 0.801 257 E CB -0.141 29.605 29.700 0.078 0.000 0.743 257 E HN 0.769 nan 8.360 nan 0.000 0.453 258 K N -0.135 119.920 120.400 -0.575 0.000 2.032 258 K HA -0.140 4.181 4.320 0.002 0.000 0.209 258 K C 2.180 178.459 176.600 -0.535 0.000 1.048 258 K CA 1.628 57.165 56.287 -1.251 0.000 0.927 258 K CB -0.529 31.218 32.500 -1.255 0.000 0.712 258 K HN 0.238 nan 8.250 nan 0.000 0.441 259 G N 1.426 110.038 108.800 -0.313 0.000 2.446 259 G HA2 -0.260 3.701 3.960 0.002 0.000 0.217 259 G HA3 -0.260 3.701 3.960 0.002 0.000 0.217 259 G C 1.348 176.258 174.900 0.016 0.000 1.168 259 G CA 0.945 45.967 45.100 -0.130 0.000 0.771 259 G HN 0.326 nan 8.290 nan 0.000 0.551 260 K N -0.608 119.788 120.400 -0.007 0.000 2.097 260 K HA -0.040 4.281 4.320 0.002 0.000 0.206 260 K C 2.172 178.866 176.600 0.157 0.000 1.049 260 K CA 1.015 57.373 56.287 0.119 0.000 0.933 260 K CB -0.288 32.297 32.500 0.143 0.000 0.717 260 K HN 0.359 nan 8.250 nan 0.000 0.442 261 F N 1.141 121.100 119.950 0.015 0.000 2.102 261 F HA -0.232 4.297 4.527 0.002 0.000 0.298 261 F C 2.100 178.035 175.800 0.225 0.000 1.105 261 F CA 1.278 59.356 58.000 0.129 0.000 1.239 261 F CB -0.334 38.723 39.000 0.096 0.000 0.991 261 F HN -0.032 nan 8.300 nan 0.000 0.474 262 F N 0.885 120.974 119.950 0.233 0.000 2.069 262 F HA -0.217 4.311 4.527 0.002 0.000 0.298 262 F C 1.892 177.706 175.800 0.023 0.000 1.113 262 F CA 1.898 59.976 58.000 0.130 0.000 1.214 262 F CB -0.863 38.011 39.000 -0.211 0.000 0.978 262 F HN -0.033 nan 8.300 nan 0.000 0.474 263 L N -0.205 120.788 121.223 -0.384 0.000 2.042 263 L HA -0.259 4.082 4.340 0.002 0.000 0.210 263 L C 2.378 178.972 176.870 -0.460 0.000 1.076 263 L CA 1.924 56.356 54.840 -0.680 0.000 0.749 263 L CB -1.259 40.184 42.059 -1.028 0.000 0.893 263 L HN 0.218 nan 8.230 nan 0.000 0.432 264 T N -1.482 112.976 114.554 -0.161 0.000 2.737 264 T HA -0.242 4.109 4.350 0.002 0.000 0.265 264 T C 1.326 175.997 174.700 -0.048 0.000 1.038 264 T CA 1.514 63.647 62.100 0.055 0.000 1.144 264 T CB -0.388 68.516 68.868 0.060 0.000 0.866 264 T HN 0.527 nan 8.240 nan 0.000 0.434 265 W N 0.911 122.031 121.300 -0.301 0.000 2.354 265 W HA -0.206 4.455 4.660 0.002 0.000 0.315 265 W C 2.102 178.529 176.519 -0.152 0.000 1.206 265 W CA 0.909 58.133 57.345 -0.203 0.000 1.290 265 W CB -0.712 28.698 29.460 -0.084 0.000 1.152 265 W HN 0.243 nan 8.180 nan 0.000 0.489 266 Y N 1.947 121.966 120.300 -0.468 0.000 2.128 266 Y HA -0.298 4.253 4.550 0.002 0.000 0.284 266 Y C 2.920 178.591 175.900 -0.380 0.000 1.154 266 Y CA 2.978 60.648 58.100 -0.718 0.000 1.149 266 Y CB -1.004 36.805 38.460 -1.086 0.000 0.976 266 Y HN 0.088 nan 8.280 nan 0.000 0.505 267 S N -0.963 114.606 115.700 -0.219 0.000 2.406 267 S HA -0.148 4.323 4.470 0.002 0.000 0.228 267 S C 1.729 176.240 174.600 -0.149 0.000 1.020 267 S CA 1.129 59.246 58.200 -0.139 0.000 0.965 267 S CB -0.849 62.383 63.200 0.054 0.000 0.798 267 S HN 0.619 nan 8.310 nan 0.000 0.488 268 N N 1.439 120.040 118.700 -0.165 0.000 2.223 268 N HA -0.039 4.702 4.740 0.002 0.000 0.185 268 N C 1.534 176.930 175.510 -0.191 0.000 1.016 268 N CA 0.865 53.831 53.050 -0.141 0.000 0.863 268 N CB -0.030 38.386 38.487 -0.120 0.000 0.983 268 N HN 0.259 nan 8.380 nan 0.000 0.429 269 K N 1.210 121.410 120.400 -0.333 0.000 2.103 269 K HA -0.096 4.225 4.320 0.002 0.000 0.207 269 K C 1.973 178.452 176.600 -0.202 0.000 1.048 269 K CA 0.797 56.897 56.287 -0.311 0.000 0.930 269 K CB -0.501 31.730 32.500 -0.450 0.000 0.716 269 K HN 0.311 nan 8.250 nan 0.000 0.444 270 L N 0.463 121.535 121.223 -0.252 0.000 2.056 270 L HA -0.130 4.211 4.340 0.002 0.000 0.207 270 L C 2.491 179.337 176.870 -0.041 0.000 1.078 270 L CA 0.799 55.522 54.840 -0.196 0.000 0.749 270 L CB -0.544 41.347 42.059 -0.279 0.000 0.901 270 L HN 0.078 nan 8.230 nan 0.000 0.433 271 L N -0.072 121.124 121.223 -0.046 0.000 1.989 271 L HA -0.260 4.081 4.340 0.002 0.000 0.211 271 L C 2.408 179.279 176.870 0.003 0.000 1.071 271 L CA 1.398 56.232 54.840 -0.010 0.000 0.749 271 L CB -0.692 41.360 42.059 -0.012 0.000 0.890 271 L HN 0.391 nan 8.230 nan 0.000 0.431 272 N N -1.167 117.532 118.700 -0.002 0.000 2.309 272 N HA -0.200 4.541 4.740 0.002 0.000 0.182 272 N C 1.775 177.305 175.510 0.033 0.000 1.018 272 N CA 1.094 54.153 53.050 0.014 0.000 0.876 272 N CB -0.379 38.113 38.487 0.007 0.000 0.972 272 N HN 0.439 nan 8.380 nan 0.000 0.434 273 H N 0.458 119.488 119.070 -0.066 0.000 2.293 273 H HA -0.028 4.529 4.556 0.002 0.000 0.300 273 H C 2.049 177.347 175.328 -0.050 0.000 1.082 273 H CA 2.247 58.264 56.048 -0.053 0.000 1.308 273 H CB -0.604 29.109 29.762 -0.081 0.000 1.375 273 H HN 0.183 nan 8.280 nan 0.000 0.495 274 G N -0.655 108.091 108.800 -0.089 0.000 2.408 274 G HA2 -0.276 3.685 3.960 0.002 0.000 0.217 274 G HA3 -0.276 3.685 3.960 0.002 0.000 0.217 274 G C 1.552 176.339 174.900 -0.189 0.000 1.150 274 G CA 0.907 45.900 45.100 -0.178 0.000 0.776 274 G HN 0.523 nan 8.290 nan 0.000 0.542 275 D N 0.206 120.557 120.400 -0.081 0.000 2.097 275 D HA -0.092 4.550 4.640 0.002 0.000 0.195 275 D C 2.584 178.875 176.300 -0.015 0.000 0.989 275 D CA 1.114 55.118 54.000 0.007 0.000 0.827 275 D CB -0.152 40.705 40.800 0.094 0.000 0.966 275 D HN 0.393 nan 8.370 nan 0.000 0.456 276 Q N -0.516 119.262 119.800 -0.037 0.000 2.079 276 Q HA -0.053 4.288 4.340 0.002 0.000 0.200 276 Q C 2.412 178.369 176.000 -0.072 0.000 0.974 276 Q CA 0.985 56.770 55.803 -0.030 0.000 0.840 276 Q CB 0.039 28.763 28.738 -0.022 0.000 0.898 276 Q HN 0.426 nan 8.270 nan 0.000 0.430 277 I N 0.241 120.717 120.570 -0.157 0.000 2.439 277 I HA -0.221 3.950 4.170 0.002 0.000 0.251 277 I C 1.908 177.937 176.117 -0.148 0.000 1.139 277 I CA 0.777 61.983 61.300 -0.156 0.000 1.438 277 I CB -0.078 37.763 38.000 -0.265 0.000 1.085 277 I HN 0.210 nan 8.210 nan 0.000 0.427 278 L N 0.225 121.288 121.223 -0.266 0.000 2.291 278 L HA -0.165 4.176 4.340 0.002 0.000 0.214 278 L C 1.955 178.719 176.870 -0.177 0.000 1.120 278 L CA 0.851 55.453 54.840 -0.397 0.000 0.799 278 L CB -0.580 40.870 42.059 -1.015 0.000 0.925 278 L HN 0.274 nan 8.230 nan 0.000 0.446 279 D N 0.131 120.525 120.400 -0.010 0.000 2.144 279 D HA -0.169 4.472 4.640 0.002 0.000 0.199 279 D C 2.064 178.408 176.300 0.073 0.000 0.984 279 D CA 1.078 55.164 54.000 0.143 0.000 0.834 279 D CB 0.130 40.994 40.800 0.107 0.000 0.955 279 D HN 0.301 nan 8.370 nan 0.000 0.465 280 E N 0.642 120.858 120.200 0.026 0.000 2.152 280 E HA -0.040 4.311 4.350 0.002 0.000 0.192 280 E C 2.068 178.687 176.600 0.032 0.000 0.983 280 E CA 0.453 56.865 56.400 0.019 0.000 0.818 280 E CB -0.186 29.517 29.700 0.006 0.000 0.758 280 E HN 0.191 nan 8.360 nan 0.000 0.467 281 A N 2.087 124.948 122.820 0.070 0.000 1.873 281 A HA -0.177 4.144 4.320 0.002 0.000 0.215 281 A C 2.016 179.733 177.584 0.223 0.000 1.186 281 A CA 1.320 53.467 52.037 0.184 0.000 0.616 281 A CB -0.527 18.590 19.000 0.196 0.000 0.823 281 A HN 0.161 nan 8.150 nan 0.000 0.442 282 N N -0.076 118.731 118.700 0.179 0.000 2.149 282 N HA -0.156 4.585 4.740 0.002 0.000 0.188 282 N C 1.695 177.281 175.510 0.127 0.000 1.019 282 N CA 1.570 54.733 53.050 0.187 0.000 0.857 282 N CB -0.217 38.383 38.487 0.188 0.000 0.997 282 N HN 0.561 nan 8.380 nan 0.000 0.426 283 K N 0.881 121.324 120.400 0.072 0.000 2.025 283 K HA 0.015 4.336 4.320 0.002 0.000 0.207 283 K C 2.212 178.789 176.600 -0.038 0.000 1.049 283 K CA 1.126 57.427 56.287 0.024 0.000 0.933 283 K CB -0.120 32.387 32.500 0.011 0.000 0.714 283 K HN 0.081 nan 8.250 nan 0.000 0.438 284 A N 0.811 123.555 122.820 -0.126 0.000 1.877 284 A HA -0.122 4.199 4.320 0.002 0.000 0.216 284 A C 1.463 178.771 177.584 -0.461 0.000 1.186 284 A CA 1.384 53.202 52.037 -0.364 0.000 0.620 284 A CB -0.494 18.141 19.000 -0.609 0.000 0.822 284 A HN 0.250 nan 8.150 nan 0.000 0.443 285 F N -0.757 119.225 119.950 0.053 0.000 2.645 285 F HA 0.326 4.854 4.527 0.002 0.000 0.300 285 F C 0.411 176.241 175.800 0.050 0.000 1.115 285 F CA -1.261 56.772 58.000 0.054 0.000 1.355 285 F CB -0.387 38.649 39.000 0.060 0.000 1.026 285 F HN 0.113 nan 8.300 nan 0.000 0.536 286 L N 1.200 122.508 121.223 0.141 0.000 2.601 286 L HA 0.304 4.645 4.340 0.002 0.000 0.277 286 L C 1.225 178.153 176.870 0.096 0.000 1.219 286 L CA 1.049 55.955 54.840 0.110 0.000 0.915 286 L CB -0.052 42.045 42.059 0.064 0.000 1.160 286 L HN 0.513 nan 8.230 nan 0.000 0.494 287 G N 2.355 111.209 108.800 0.089 0.000 2.284 287 G HA2 -0.295 3.666 3.960 0.002 0.000 0.247 287 G HA3 -0.295 3.666 3.960 0.002 0.000 0.247 287 G C 0.598 175.545 174.900 0.078 0.000 1.012 287 G CA 0.068 45.209 45.100 0.067 0.000 0.618 287 G HN 0.887 nan 8.290 nan 0.000 0.521 288 C N 1.738 121.109 119.300 0.119 0.000 2.662 288 C HA 0.405 4.867 4.460 0.002 0.000 0.420 288 C C 1.428 176.471 174.990 0.088 0.000 1.314 288 C CA -0.007 59.083 59.018 0.120 0.000 1.963 288 C CB 0.662 28.520 27.740 0.197 0.000 2.686 288 C HN 0.444 nan 8.230 nan 0.000 0.609 289 K N 2.160 122.602 120.400 0.070 0.000 3.006 289 K HA 0.275 4.597 4.320 0.002 0.000 0.265 289 K C 0.086 176.723 176.600 0.062 0.000 1.279 289 K CA 0.009 56.332 56.287 0.060 0.000 1.229 289 K CB -0.325 32.207 32.500 0.053 0.000 1.555 289 K HN 0.660 nan 8.250 nan 0.000 0.300 290 V N -2.953 116.990 119.914 0.048 0.000 3.126 290 V HA 0.562 4.683 4.120 0.002 0.000 0.314 290 V C -0.792 175.311 176.094 0.015 0.000 1.138 290 V CA -1.273 61.038 62.300 0.019 0.000 1.034 290 V CB 2.282 34.065 31.823 -0.066 0.000 1.075 290 V HN -0.039 nan 8.190 nan 0.000 0.442 291 K N 1.498 121.898 120.400 0.001 0.000 2.203 291 K HA 0.680 5.001 4.320 0.002 0.000 0.251 291 K C -0.902 175.662 176.600 -0.060 0.000 0.944 291 K CA -0.570 55.711 56.287 -0.011 0.000 0.829 291 K CB 2.281 34.775 32.500 -0.010 0.000 1.125 291 K HN 0.728 nan 8.250 nan 0.000 0.430 292 L N 0.966 122.165 121.223 -0.041 0.000 2.416 292 L HA 0.703 5.044 4.340 0.002 0.000 0.262 292 L C 0.122 176.951 176.870 -0.068 0.000 1.093 292 L CA -0.671 54.131 54.840 -0.064 0.000 0.801 292 L CB 1.424 43.479 42.059 -0.006 0.000 1.191 292 L HN 0.727 nan 8.230 nan 0.000 0.459 293 A N 1.692 124.465 122.820 -0.079 0.000 2.608 293 A HA 0.781 5.102 4.320 0.002 0.000 0.292 293 A C -1.261 176.281 177.584 -0.070 0.000 1.066 293 A CA -0.494 51.504 52.037 -0.066 0.000 0.676 293 A CB 1.680 20.647 19.000 -0.055 0.000 1.277 293 A HN 0.680 nan 8.150 nan 0.000 0.413 294 I N -2.008 118.531 120.570 -0.053 0.000 3.042 294 I HA 0.916 5.087 4.170 0.002 0.000 0.310 294 I C -0.851 175.252 176.117 -0.023 0.000 1.117 294 I CA -1.136 60.134 61.300 -0.051 0.000 1.003 294 I CB 2.266 40.234 38.000 -0.052 0.000 1.228 294 I HN 0.483 nan 8.210 nan 0.000 0.443 295 K N 3.003 123.389 120.400 -0.023 0.000 2.307 295 K HA 0.612 4.933 4.320 0.002 0.000 0.263 295 K C -1.702 174.926 176.600 0.047 0.000 0.973 295 K CA -0.543 55.746 56.287 0.003 0.000 0.846 295 K CB 1.605 34.084 32.500 -0.035 0.000 1.100 295 K HN 0.585 nan 8.250 nan 0.000 0.438 296 V N 3.608 123.589 119.914 0.111 0.000 2.394 296 V HA 0.316 4.437 4.120 0.002 0.000 0.282 296 V C 0.165 176.371 176.094 0.186 0.000 1.031 296 V CA -0.730 61.678 62.300 0.180 0.000 0.881 296 V CB 1.355 33.268 31.823 0.151 0.000 0.982 296 V HN 0.898 nan 8.190 nan 0.000 0.451 297 S N 3.597 119.449 115.700 0.253 0.000 2.572 297 S HA 0.404 4.875 4.470 0.002 0.000 0.279 297 S C 0.615 175.271 174.600 0.094 0.000 1.341 297 S CA 0.001 58.310 58.200 0.182 0.000 1.043 297 S CB 0.738 64.127 63.200 0.314 0.000 0.887 297 S HN 1.054 nan 8.310 nan 0.000 0.516 298 G N 4.245 112.968 108.800 -0.128 0.000 2.741 298 G HA2 0.465 4.426 3.960 0.002 0.000 0.336 298 G HA3 0.465 4.426 3.960 0.002 0.000 0.336 298 G C -0.329 174.490 174.900 -0.135 0.000 1.022 298 G CA -0.496 44.466 45.100 -0.229 0.000 1.193 298 G HN 0.649 nan 8.290 nan 0.000 0.455 299 I N 3.932 124.388 120.570 -0.190 0.000 2.256 299 I HA 0.140 4.311 4.170 0.002 0.000 0.294 299 I C 0.998 176.820 176.117 -0.491 0.000 1.127 299 I CA -0.654 60.174 61.300 -0.786 0.000 1.247 299 I CB 0.025 37.685 38.000 -0.567 0.000 1.460 299 I HN 0.726 nan 8.210 nan 0.000 0.511 300 H N 3.383 122.313 119.070 -0.233 0.000 2.562 300 H HA 0.068 4.625 4.556 0.002 0.000 0.267 300 H C 0.146 175.578 175.328 0.173 0.000 0.959 300 H CA -0.754 55.319 56.048 0.040 0.000 1.204 300 H CB -0.489 29.326 29.762 0.089 0.000 1.430 300 H HN 0.525 nan 8.280 nan 0.000 0.545 301 W N -0.187 121.052 121.300 -0.102 0.000 2.266 301 W HA 0.312 4.973 4.660 0.002 0.000 0.317 301 W C -0.455 175.980 176.519 -0.140 0.000 1.310 301 W CA -1.249 55.961 57.345 -0.225 0.000 1.207 301 W CB 0.198 29.348 29.460 -0.515 0.000 1.199 301 W HN 0.323 nan 8.180 nan 0.000 0.544 302 W N 0.580 121.964 121.300 0.138 0.000 2.046 302 W HA -0.372 4.289 4.660 0.002 0.000 0.263 302 W C 1.398 177.841 176.519 -0.126 0.000 1.048 302 W CA 0.552 57.879 57.345 -0.030 0.000 0.474 302 W CB -2.281 27.115 29.460 -0.106 0.000 2.069 302 W HN 0.700 nan 8.180 nan 0.000 1.264 303 Y N 1.391 121.699 120.300 0.013 0.000 2.352 303 Y HA -0.086 4.465 4.550 0.002 0.000 0.292 303 Y C 2.081 177.858 175.900 -0.205 0.000 1.136 303 Y CA 2.222 60.291 58.100 -0.050 0.000 1.227 303 Y CB -0.083 38.443 38.460 0.110 0.000 0.991 303 Y HN -0.056 nan 8.280 nan 0.000 0.545 304 K N 0.423 120.860 120.400 0.061 0.000 2.487 304 K HA 0.087 4.408 4.320 0.002 0.000 0.192 304 K C -0.112 176.461 176.600 -0.044 0.000 1.027 304 K CA 0.513 56.818 56.287 0.030 0.000 1.054 304 K CB 0.082 32.639 32.500 0.095 0.000 0.824 304 K HN 0.185 nan 8.250 nan 0.000 0.510 305 V N -2.601 117.245 119.914 -0.115 0.000 2.815 305 V HA 0.240 4.361 4.120 0.002 0.000 0.314 305 V C 0.911 176.909 176.094 -0.160 0.000 1.064 305 V CA -0.913 61.357 62.300 -0.050 0.000 0.952 305 V CB 1.982 33.858 31.823 0.089 0.000 1.020 305 V HN 0.024 nan 8.190 nan 0.000 0.439 306 E N 2.128 122.329 120.200 0.002 0.000 2.147 306 E HA -0.257 4.095 4.350 0.002 0.000 0.199 306 E C 1.708 178.432 176.600 0.207 0.000 1.005 306 E CA 2.135 58.614 56.400 0.132 0.000 0.810 306 E CB -0.127 29.683 29.700 0.183 0.000 0.736 306 E HN 0.961 nan 8.360 nan 0.000 0.460 307 N N 0.268 118.977 118.700 0.014 0.000 2.457 307 N HA -0.175 4.566 4.740 0.002 0.000 0.180 307 N C -0.049 175.458 175.510 -0.005 0.000 1.050 307 N CA 0.664 53.583 53.050 -0.218 0.000 0.906 307 N CB -0.307 37.955 38.487 -0.374 0.000 0.968 307 N HN 0.272 nan 8.380 nan 0.000 0.445 308 H N 0.125 119.165 119.070 -0.049 0.000 2.529 308 H HA -0.180 4.377 4.556 0.002 0.000 0.319 308 H C 1.523 176.804 175.328 -0.078 0.000 1.072 308 H CA 0.415 56.464 56.048 0.002 0.000 1.126 308 H CB -1.212 28.564 29.762 0.023 0.000 1.474 308 H HN 0.539 nan 8.280 nan 0.000 0.406 309 A N 0.839 123.502 122.820 -0.263 0.000 1.884 309 A HA -0.199 4.122 4.320 0.002 0.000 0.219 309 A C 2.585 179.852 177.584 -0.528 0.000 1.197 309 A CA 2.645 54.174 52.037 -0.846 0.000 0.637 309 A CB -0.897 17.233 19.000 -1.450 0.000 0.827 309 A HN 0.659 nan 8.150 nan 0.000 0.450 310 A N -0.756 121.933 122.820 -0.218 0.000 1.940 310 A HA -0.200 4.121 4.320 0.002 0.000 0.219 310 A C 1.927 179.404 177.584 -0.179 0.000 1.176 310 A CA 1.875 53.813 52.037 -0.165 0.000 0.631 310 A CB -0.541 18.266 19.000 -0.322 0.000 0.814 310 A HN 0.697 nan 8.150 nan 0.000 0.446 311 E N -0.726 119.449 120.200 -0.042 0.000 2.072 311 E HA -0.119 4.232 4.350 0.002 0.000 0.190 311 E C 1.827 178.517 176.600 0.151 0.000 0.982 311 E CA 1.000 57.475 56.400 0.125 0.000 0.803 311 E CB -0.218 29.650 29.700 0.280 0.000 0.755 311 E HN 0.455 nan 8.360 nan 0.000 0.453 312 L N 0.813 122.151 121.223 0.192 0.000 2.046 312 L HA -0.189 4.153 4.340 0.002 0.000 0.208 312 L C 2.707 179.804 176.870 0.379 0.000 1.077 312 L CA 2.116 57.160 54.840 0.341 0.000 0.747 312 L CB -1.175 41.209 42.059 0.542 0.000 0.896 312 L HN 0.282 nan 8.230 nan 0.000 0.432 313 T N -3.517 111.068 114.554 0.051 0.000 2.881 313 T HA -0.111 4.240 4.350 0.002 0.000 0.270 313 T C 1.818 176.619 174.700 0.169 0.000 1.068 313 T CA 0.907 62.901 62.100 -0.177 0.000 1.131 313 T CB -0.504 68.098 68.868 -0.444 0.000 0.871 313 T HN 0.258 nan 8.240 nan 0.000 0.479 314 A N 0.897 123.767 122.820 0.083 0.000 2.119 314 A HA 0.551 4.873 4.320 0.002 0.000 0.216 314 A C 2.179 179.684 177.584 -0.132 0.000 1.152 314 A CA 0.969 52.998 52.037 -0.013 0.000 0.708 314 A CB -0.865 18.063 19.000 -0.121 0.000 0.805 314 A HN 1.307 nan 8.150 nan 0.000 0.460 315 G N -2.997 105.789 108.800 -0.024 0.000 2.211 315 G HA2 -0.178 3.783 3.960 0.002 0.000 0.201 315 G HA3 -0.178 3.783 3.960 0.002 0.000 0.201 315 G C -0.231 174.558 174.900 -0.184 0.000 0.997 315 G CA -0.028 44.973 45.100 -0.164 0.000 0.652 315 G HN 0.325 nan 8.290 nan 0.000 0.500 316 Y N 1.091 121.430 120.300 0.065 0.000 2.477 316 Y HA 0.442 4.993 4.550 0.002 0.000 0.349 316 Y C 0.600 176.505 175.900 0.008 0.000 0.977 316 Y CA -1.770 56.280 58.100 -0.084 0.000 1.214 316 Y CB 0.189 38.532 38.460 -0.196 0.000 1.124 316 Y HN 0.284 nan 8.280 nan 0.000 0.521 317 Y N 4.587 124.884 120.300 -0.004 0.000 2.623 317 Y HA 0.119 4.670 4.550 0.002 0.000 0.341 317 Y C -0.111 175.727 175.900 -0.104 0.000 1.292 317 Y CA -0.570 57.535 58.100 0.008 0.000 1.840 317 Y CB -0.209 38.259 38.460 0.014 0.000 1.865 317 Y HN 0.600 nan 8.280 nan 0.000 0.440 318 N N 4.116 122.826 118.700 0.017 0.000 2.419 318 N HA 0.465 5.207 4.740 0.002 0.000 0.277 318 N C -1.554 173.700 175.510 -0.425 0.000 1.006 318 N CA -0.207 52.682 53.050 -0.268 0.000 0.923 318 N CB 0.921 39.222 38.487 -0.309 0.000 1.140 318 N HN 0.535 nan 8.380 nan 0.000 0.488 319 L N 2.099 123.045 121.223 -0.461 0.000 2.277 319 L HA 0.484 4.825 4.340 0.002 0.000 0.254 319 L C 0.967 177.634 176.870 -0.338 0.000 1.044 319 L CA -1.034 53.569 54.840 -0.395 0.000 0.842 319 L CB 1.284 43.308 42.059 -0.058 0.000 1.422 319 L HN 0.409 nan 8.230 nan 0.000 0.422 320 N N 0.735 119.397 118.700 -0.064 0.000 2.272 320 N HA -0.163 4.579 4.740 0.002 0.000 0.185 320 N C 0.471 175.957 175.510 -0.039 0.000 1.014 320 N CA 1.358 54.411 53.050 0.006 0.000 0.870 320 N CB -0.111 38.428 38.487 0.086 0.000 0.975 320 N HN 0.655 nan 8.380 nan 0.000 0.433 321 D N -1.262 119.106 120.400 -0.053 0.000 2.623 321 D HA 0.101 4.742 4.640 0.002 0.000 0.252 321 D C -0.324 175.912 176.300 -0.105 0.000 1.294 321 D CA -0.243 53.722 54.000 -0.060 0.000 0.824 321 D CB 0.028 40.809 40.800 -0.033 0.000 1.070 321 D HN 0.037 nan 8.370 nan 0.000 0.487 322 R N 0.839 121.243 120.500 -0.159 0.000 2.605 322 R HA 0.113 4.454 4.340 0.002 0.000 0.291 322 R C -1.642 174.522 176.300 -0.225 0.000 1.226 322 R CA -0.474 55.494 56.100 -0.221 0.000 0.981 322 R CB 1.049 31.134 30.300 -0.358 0.000 1.215 322 R HN -0.169 nan 8.270 nan 0.000 0.428 323 D N 3.174 123.476 120.400 -0.165 0.000 2.359 323 D HA 0.090 4.731 4.640 0.002 0.000 0.250 323 D C 0.770 176.961 176.300 -0.181 0.000 1.264 323 D CA 0.392 54.315 54.000 -0.129 0.000 0.911 323 D CB 1.195 41.950 40.800 -0.075 0.000 1.056 323 D HN 0.825 nan 8.370 nan 0.000 0.499 324 G N 2.583 111.211 108.800 -0.288 0.000 2.920 324 G HA2 -0.141 3.820 3.960 0.002 0.000 0.208 324 G HA3 -0.141 3.820 3.960 0.002 0.000 0.208 324 G C 0.609 175.209 174.900 -0.501 0.000 1.159 324 G CA 0.248 45.124 45.100 -0.373 0.000 0.784 324 G HN 0.454 nan 8.290 nan 0.000 0.535 325 Y N -0.997 119.240 120.300 -0.105 0.000 2.607 325 Y HA 0.286 4.837 4.550 0.002 0.000 0.276 325 Y C 2.549 178.362 175.900 -0.145 0.000 1.117 325 Y CA -0.222 57.776 58.100 -0.170 0.000 1.273 325 Y CB -0.000 38.291 38.460 -0.281 0.000 1.282 325 Y HN 0.073 nan 8.280 nan 0.000 0.514 326 R N 0.684 121.192 120.500 0.013 0.000 2.127 326 R HA -0.108 4.233 4.340 0.002 0.000 0.238 326 R C -1.109 175.180 176.300 -0.017 0.000 1.134 326 R CA 1.403 57.491 56.100 -0.020 0.000 0.975 326 R CB -1.004 29.278 30.300 -0.031 0.000 0.865 326 R HN 0.213 nan 8.270 nan 0.000 0.447 327 P HA -0.122 nan 4.420 nan 0.000 0.218 327 P C 0.880 178.180 177.300 0.001 0.000 1.149 327 P CA 1.215 64.306 63.100 -0.014 0.000 0.817 327 P CB 0.038 31.723 31.700 -0.025 0.000 0.785 328 I N -0.788 119.784 120.570 0.004 0.000 2.252 328 I HA -0.218 3.953 4.170 0.002 0.000 0.245 328 I C 2.298 178.419 176.117 0.007 0.000 1.102 328 I CA 1.374 62.684 61.300 0.016 0.000 1.385 328 I CB -0.845 37.176 38.000 0.034 0.000 1.064 328 I HN -0.081 nan 8.210 nan 0.000 0.414 329 A N 0.937 123.751 122.820 -0.010 0.000 1.902 329 A HA -0.248 4.073 4.320 0.002 0.000 0.217 329 A C 2.444 180.035 177.584 0.011 0.000 1.181 329 A CA 1.808 53.834 52.037 -0.017 0.000 0.623 329 A CB -0.661 18.312 19.000 -0.045 0.000 0.818 329 A HN 0.355 nan 8.150 nan 0.000 0.443 330 R N -1.099 119.411 120.500 0.015 0.000 2.096 330 R HA -0.126 4.215 4.340 0.002 0.000 0.235 330 R C 2.222 178.538 176.300 0.027 0.000 1.127 330 R CA 1.677 57.794 56.100 0.027 0.000 0.968 330 R CB -0.289 30.025 30.300 0.023 0.000 0.861 330 R HN 0.510 nan 8.270 nan 0.000 0.440 331 M N 0.783 120.403 119.600 0.033 0.000 2.117 331 M HA -0.150 4.331 4.480 0.002 0.000 0.262 331 M C 1.814 178.183 176.300 0.116 0.000 1.065 331 M CA 1.686 57.022 55.300 0.060 0.000 1.114 331 M CB -0.393 32.241 32.600 0.056 0.000 1.361 331 M HN 0.302 nan 8.290 nan 0.000 0.408 332 L N 0.360 121.633 121.223 0.083 0.000 2.191 332 L HA -0.180 4.161 4.340 0.002 0.000 0.212 332 L C 2.663 179.569 176.870 0.059 0.000 1.103 332 L CA 1.344 56.240 54.840 0.094 0.000 0.769 332 L CB -0.873 41.201 42.059 0.026 0.000 0.908 332 L HN 0.463 nan 8.230 nan 0.000 0.438 333 S N 1.200 116.917 115.700 0.028 0.000 2.370 333 S HA -0.265 4.206 4.470 0.002 0.000 0.226 333 S C 2.030 176.580 174.600 -0.084 0.000 1.033 333 S CA 1.371 59.580 58.200 0.014 0.000 1.011 333 S CB -0.533 62.697 63.200 0.050 0.000 0.852 333 S HN 0.589 nan 8.310 nan 0.000 0.457 334 R N 0.419 120.813 120.500 -0.176 0.000 2.237 334 R HA 0.029 4.370 4.340 0.002 0.000 0.219 334 R C 1.376 177.222 176.300 -0.756 0.000 1.080 334 R CA 1.436 57.307 56.100 -0.382 0.000 0.995 334 R CB -0.766 29.305 30.300 -0.381 0.000 0.875 334 R HN 0.564 nan 8.270 nan 0.000 0.462 335 H N 0.334 119.162 119.070 -0.403 0.000 2.586 335 H HA 0.105 4.662 4.556 0.002 0.000 0.273 335 H C -0.290 174.765 175.328 -0.456 0.000 0.997 335 H CA 0.370 56.154 56.048 -0.439 0.000 1.177 335 H CB 0.040 29.698 29.762 -0.175 0.000 1.471 335 H HN 0.520 nan 8.280 nan 0.000 0.538 336 H N -0.883 118.219 119.070 0.054 0.000 2.861 336 H HA -0.130 4.427 4.556 0.002 0.000 0.289 336 H C 0.486 175.809 175.328 -0.009 0.000 1.176 336 H CA 0.132 56.186 56.048 0.011 0.000 1.146 336 H CB -1.539 28.225 29.762 0.003 0.000 1.330 336 H HN 0.467 nan 8.280 nan 0.000 0.379 337 A N 0.567 123.414 122.820 0.044 0.000 2.302 337 A HA 0.633 4.955 4.320 0.002 0.000 0.285 337 A C 0.563 178.117 177.584 -0.050 0.000 1.105 337 A CA -0.565 51.470 52.037 -0.003 0.000 0.816 337 A CB 0.736 19.736 19.000 0.001 0.000 1.067 337 A HN 0.324 nan 8.150 nan 0.000 0.489 338 I N 0.850 121.369 120.570 -0.085 0.000 2.472 338 I HA 0.244 4.415 4.170 0.002 0.000 0.290 338 I C -0.091 176.000 176.117 -0.044 0.000 1.016 338 I CA -0.132 61.110 61.300 -0.098 0.000 1.348 338 I CB 1.238 39.175 38.000 -0.105 0.000 1.417 338 I HN 0.550 nan 8.210 nan 0.000 0.521 339 L N 6.932 128.135 121.223 -0.034 0.000 2.283 339 L HA 0.357 4.698 4.340 0.002 0.000 0.281 339 L C -0.199 176.686 176.870 0.024 0.000 1.033 339 L CA -0.186 54.639 54.840 -0.025 0.000 0.848 339 L CB 0.243 42.256 42.059 -0.076 0.000 1.226 339 L HN 0.653 nan 8.230 nan 0.000 0.429 340 N N 4.010 122.741 118.700 0.052 0.000 2.406 340 N HA 0.151 4.892 4.740 0.002 0.000 0.251 340 N C -0.838 174.766 175.510 0.156 0.000 1.069 340 N CA -0.380 52.727 53.050 0.095 0.000 0.947 340 N CB 0.664 39.185 38.487 0.056 0.000 1.111 340 N HN 0.426 nan 8.380 nan 0.000 0.497 341 F N 2.148 122.074 119.950 -0.039 0.000 2.590 341 F HA 0.563 5.091 4.527 0.002 0.000 0.379 341 F C 0.739 176.520 175.800 -0.033 0.000 1.154 341 F CA -0.299 57.657 58.000 -0.075 0.000 1.136 341 F CB 1.405 40.324 39.000 -0.135 0.000 1.601 341 F HN 0.304 nan 8.300 nan 0.000 0.504 342 T N -1.939 112.133 114.554 -0.803 0.000 2.630 342 T HA 0.308 4.659 4.350 0.002 0.000 0.300 342 T C -0.783 173.631 174.700 -0.477 0.000 1.261 342 T CA 0.263 62.064 62.100 -0.499 0.000 1.060 342 T CB 0.262 68.879 68.868 -0.418 0.000 1.670 342 T HN 0.808 nan 8.240 nan 0.000 0.473 343 C N 0.770 119.905 119.300 -0.276 0.000 4.326 343 C HA -0.112 4.349 4.460 0.002 0.000 0.284 343 C C 1.747 176.679 174.990 -0.098 0.000 1.419 343 C CA 0.402 59.312 59.018 -0.181 0.000 1.920 343 C CB -3.059 24.566 27.740 -0.191 0.000 1.306 343 C HN 0.769 nan 8.230 nan 0.000 0.786 344 L N 1.507 122.705 121.223 -0.041 0.000 2.265 344 L HA -0.089 4.252 4.340 0.002 0.000 0.215 344 L C 2.572 179.459 176.870 0.028 0.000 1.117 344 L CA 2.448 57.318 54.840 0.051 0.000 0.782 344 L CB -0.460 41.672 42.059 0.121 0.000 0.914 344 L HN 0.685 nan 8.230 nan 0.000 0.441 345 E N -0.634 119.542 120.200 -0.039 0.000 2.474 345 E HA -0.031 4.320 4.350 0.002 0.000 0.194 345 E C 0.674 177.214 176.600 -0.099 0.000 1.041 345 E CA 0.124 56.479 56.400 -0.075 0.000 0.874 345 E CB 0.006 29.621 29.700 -0.142 0.000 0.914 345 E HN 0.353 nan 8.360 nan 0.000 0.498 346 M N 1.329 120.861 119.600 -0.113 0.000 2.274 346 M HA 0.366 4.847 4.480 0.002 0.000 0.344 346 M C 0.279 176.504 176.300 -0.124 0.000 1.161 346 M CA -0.095 55.116 55.300 -0.149 0.000 1.126 346 M CB 1.347 33.812 32.600 -0.226 0.000 1.522 346 M HN -0.239 nan 8.290 nan 0.000 0.461 347 R N 0.778 121.203 120.500 -0.124 0.000 2.670 347 R HA 0.231 4.572 4.340 0.002 0.000 0.289 347 R C -0.274 175.960 176.300 -0.110 0.000 0.965 347 R CA -0.869 55.175 56.100 -0.094 0.000 0.899 347 R CB 1.599 31.863 30.300 -0.060 0.000 1.173 347 R HN 0.642 nan 8.270 nan 0.000 0.456 348 D N 0.422 120.767 120.400 -0.092 0.000 2.182 348 D HA -0.168 4.473 4.640 0.002 0.000 0.201 348 D C 1.547 177.813 176.300 -0.057 0.000 0.986 348 D CA 1.873 55.827 54.000 -0.077 0.000 0.847 348 D CB 0.009 40.779 40.800 -0.049 0.000 0.942 348 D HN 0.523 nan 8.370 nan 0.000 0.467 349 S N -0.213 115.458 115.700 -0.048 0.000 2.595 349 S HA -0.070 4.401 4.470 0.002 0.000 0.235 349 S C 1.366 175.938 174.600 -0.047 0.000 0.974 349 S CA 0.436 58.614 58.200 -0.037 0.000 0.942 349 S CB -0.235 62.949 63.200 -0.027 0.000 0.766 349 S HN 0.325 nan 8.310 nan 0.000 0.536 350 E N 0.443 120.601 120.200 -0.070 0.000 2.452 350 E HA 0.105 4.456 4.350 0.002 0.000 0.197 350 E C 0.002 176.552 176.600 -0.083 0.000 1.022 350 E CA 0.074 56.425 56.400 -0.083 0.000 0.890 350 E CB 0.192 29.826 29.700 -0.111 0.000 0.918 350 E HN 0.527 nan 8.360 nan 0.000 0.496 351 Q N 1.571 121.333 119.800 -0.062 0.000 2.235 351 Q HA 0.298 4.640 4.340 0.002 0.000 0.256 351 Q C -2.218 173.792 176.000 0.016 0.000 0.951 351 Q CA -2.459 53.339 55.803 -0.008 0.000 0.890 351 Q CB 0.492 29.256 28.738 0.043 0.000 1.279 351 Q HN 0.018 nan 8.270 nan 0.000 0.444 352 P HA 0.098 nan 4.420 nan 0.000 0.271 352 P C 0.176 177.469 177.300 -0.013 0.000 1.216 352 P CA 0.048 63.157 63.100 0.016 0.000 0.771 352 P CB 0.938 32.656 31.700 0.030 0.000 0.864 353 S N 1.678 117.365 115.700 -0.022 0.000 2.387 353 S HA -0.178 4.293 4.470 0.002 0.000 0.230 353 S C 1.292 175.854 174.600 -0.064 0.000 1.035 353 S CA 1.802 59.984 58.200 -0.030 0.000 1.014 353 S CB -0.697 62.495 63.200 -0.013 0.000 0.836 353 S HN 0.700 nan 8.310 nan 0.000 0.466 354 D N 1.057 121.412 120.400 -0.074 0.000 2.390 354 D HA 0.042 4.683 4.640 0.002 0.000 0.235 354 D C 1.138 177.259 176.300 -0.297 0.000 1.040 354 D CA 0.704 54.644 54.000 -0.101 0.000 0.923 354 D CB -0.014 40.752 40.800 -0.057 0.000 0.886 354 D HN 0.465 nan 8.370 nan 0.000 0.532 355 A N 0.649 123.247 122.820 -0.370 0.000 2.288 355 A HA 0.047 4.368 4.320 0.002 0.000 0.216 355 A C 0.880 178.023 177.584 -0.735 0.000 1.199 355 A CA -0.270 51.341 52.037 -0.711 0.000 0.891 355 A CB 0.123 18.866 19.000 -0.429 0.000 0.923 355 A HN -0.024 nan 8.150 nan 0.000 0.500 356 K N 0.575 120.767 120.400 -0.346 0.000 3.077 356 K HA -0.142 4.179 4.320 0.002 0.000 0.264 356 K C 0.087 176.662 176.600 -0.041 0.000 1.008 356 K CA 0.986 57.186 56.287 -0.144 0.000 0.740 356 K CB -2.361 30.104 32.500 -0.060 0.000 1.273 356 K HN 0.527 nan 8.250 nan 0.000 0.477 357 S N -0.436 115.277 115.700 0.022 0.000 2.513 357 S HA 0.551 5.022 4.470 0.002 0.000 0.276 357 S C 0.778 175.443 174.600 0.108 0.000 1.254 357 S CA 0.238 58.547 58.200 0.182 0.000 1.053 357 S CB 1.137 64.525 63.200 0.314 0.000 0.958 357 S HN 0.450 nan 8.310 nan 0.000 0.491 358 G N 5.231 114.096 108.800 0.108 0.000 4.855 358 G HA2 0.331 4.292 3.960 0.002 0.000 0.275 358 G HA3 0.331 4.292 3.960 0.002 0.000 0.275 358 G C -1.691 173.065 174.900 -0.240 0.000 1.282 358 G CA -0.865 44.212 45.100 -0.037 0.000 0.930 358 G HN 0.594 nan 8.290 nan 0.000 0.575 359 P HA -0.210 nan 4.420 nan 0.000 0.216 359 P C 1.454 178.617 177.300 -0.228 0.000 1.150 359 P CA 1.082 64.056 63.100 -0.209 0.000 0.837 359 P CB 0.538 32.052 31.700 -0.310 0.000 0.786 360 Q N 0.027 119.698 119.800 -0.215 0.000 2.020 360 Q HA -0.192 4.149 4.340 0.002 0.000 0.202 360 Q C 2.256 178.061 176.000 -0.325 0.000 0.982 360 Q CA 1.685 57.354 55.803 -0.223 0.000 0.838 360 Q CB -0.395 28.242 28.738 -0.168 0.000 0.899 360 Q HN 0.266 nan 8.270 nan 0.000 0.423 361 E N 0.540 120.550 120.200 -0.315 0.000 2.110 361 E HA -0.173 4.178 4.350 0.002 0.000 0.193 361 E C 1.688 178.006 176.600 -0.470 0.000 0.988 361 E CA 0.582 56.790 56.400 -0.319 0.000 0.804 361 E CB -0.169 29.464 29.700 -0.111 0.000 0.745 361 E HN 0.155 nan 8.360 nan 0.000 0.458 362 L N 0.028 120.816 121.223 -0.725 0.000 2.027 362 L HA -0.117 4.224 4.340 0.002 0.000 0.206 362 L C 2.036 178.697 176.870 -0.347 0.000 1.074 362 L CA 1.351 55.800 54.840 -0.653 0.000 0.745 362 L CB -0.477 41.257 42.059 -0.540 0.000 0.898 362 L HN 0.013 nan 8.230 nan 0.000 0.433 363 V N -0.281 119.516 119.914 -0.195 0.000 2.287 363 V HA -0.361 3.760 4.120 0.002 0.000 0.248 363 V C 2.612 178.525 176.094 -0.301 0.000 1.053 363 V CA 2.156 64.410 62.300 -0.077 0.000 1.027 363 V CB -0.640 31.183 31.823 -0.001 0.000 0.646 363 V HN 0.574 nan 8.190 nan 0.000 0.447 364 Q N -0.729 118.765 119.800 -0.510 0.000 2.084 364 Q HA -0.293 4.048 4.340 0.002 0.000 0.202 364 Q C 2.389 178.179 176.000 -0.350 0.000 0.978 364 Q CA 2.031 57.386 55.803 -0.746 0.000 0.844 364 Q CB -0.213 27.946 28.738 -0.966 0.000 0.898 364 Q HN 0.690 nan 8.270 nan 0.000 0.426 365 Q N 0.216 119.846 119.800 -0.284 0.000 2.050 365 Q HA -0.163 4.178 4.340 0.002 0.000 0.202 365 Q C 2.094 177.935 176.000 -0.265 0.000 0.980 365 Q CA 1.529 57.227 55.803 -0.175 0.000 0.840 365 Q CB 0.137 28.855 28.738 -0.032 0.000 0.898 365 Q HN 0.241 nan 8.270 nan 0.000 0.424 366 V N 0.833 120.448 119.914 -0.499 0.000 2.270 366 V HA -0.263 3.858 4.120 0.002 0.000 0.245 366 V C 2.342 178.100 176.094 -0.561 0.000 1.043 366 V CA 1.291 63.175 62.300 -0.695 0.000 1.014 366 V CB -0.548 30.408 31.823 -1.445 0.000 0.645 366 V HN 0.306 nan 8.190 nan 0.000 0.447 367 L N 0.138 121.036 121.223 -0.541 0.000 2.012 367 L HA -0.151 4.191 4.340 0.002 0.000 0.210 367 L C 2.651 179.097 176.870 -0.707 0.000 1.073 367 L CA 2.064 56.438 54.840 -0.776 0.000 0.748 367 L CB -1.098 40.591 42.059 -0.616 0.000 0.891 367 L HN 0.261 nan 8.230 nan 0.000 0.431 368 S N -0.532 115.118 115.700 -0.084 0.000 2.368 368 S HA -0.147 4.324 4.470 0.002 0.000 0.225 368 S C 2.050 176.704 174.600 0.090 0.000 1.030 368 S CA 1.170 59.555 58.200 0.308 0.000 0.999 368 S CB -0.867 62.442 63.200 0.181 0.000 0.844 368 S HN 0.607 nan 8.310 nan 0.000 0.459 369 G N 1.235 109.980 108.800 -0.091 0.000 2.418 369 G HA2 -0.070 3.891 3.960 0.002 0.000 0.217 369 G HA3 -0.070 3.891 3.960 0.002 0.000 0.217 369 G C 1.442 176.293 174.900 -0.081 0.000 1.158 369 G CA 0.980 46.026 45.100 -0.089 0.000 0.771 369 G HN 0.561 nan 8.290 nan 0.000 0.545 370 G N 0.038 108.725 108.800 -0.189 0.000 2.433 370 G HA2 -0.199 3.762 3.960 0.002 0.000 0.216 370 G HA3 -0.199 3.762 3.960 0.002 0.000 0.216 370 G C 1.581 176.464 174.900 -0.028 0.000 1.186 370 G CA 0.910 45.904 45.100 -0.177 0.000 0.779 370 G HN 0.385 nan 8.290 nan 0.000 0.543 371 W N 0.679 122.006 121.300 0.046 0.000 2.392 371 W HA 0.074 4.735 4.660 0.002 0.000 0.279 371 W C 2.611 179.050 176.519 -0.134 0.000 1.225 371 W CA 0.603 57.952 57.345 0.006 0.000 1.233 371 W CB -0.573 28.942 29.460 0.093 0.000 1.122 371 W HN 0.142 nan 8.180 nan 0.000 0.561 372 R N 0.595 121.188 120.500 0.155 0.000 2.115 372 R HA -0.090 4.251 4.340 0.002 0.000 0.230 372 R C 1.680 177.866 176.300 -0.190 0.000 1.111 372 R CA 1.121 57.195 56.100 -0.044 0.000 0.976 372 R CB -0.469 29.824 30.300 -0.012 0.000 0.870 372 R HN -0.082 nan 8.270 nan 0.000 0.445 373 E N -0.706 119.461 120.200 -0.055 0.000 2.489 373 E HA 0.002 4.353 4.350 0.002 0.000 0.193 373 E C -0.483 176.241 176.600 0.207 0.000 1.057 373 E CA -0.095 56.350 56.400 0.075 0.000 0.866 373 E CB 0.120 29.856 29.700 0.060 0.000 0.916 373 E HN 0.307 nan 8.360 nan 0.000 0.500 374 Y N -0.375 120.013 120.300 0.147 0.000 3.689 374 Y HA -0.259 4.292 4.550 0.002 0.000 0.221 374 Y C 0.628 176.593 175.900 0.107 0.000 1.247 374 Y CA 0.306 58.486 58.100 0.135 0.000 1.671 374 Y CB -2.399 36.116 38.460 0.091 0.000 1.521 374 Y HN 0.165 nan 8.280 nan 0.000 0.632 375 I N -2.310 118.369 120.570 0.181 0.000 2.982 375 I HA 0.733 4.904 4.170 0.002 0.000 0.312 375 I C 0.424 176.604 176.117 0.106 0.000 1.041 375 I CA -1.721 59.642 61.300 0.104 0.000 1.053 375 I CB 1.655 39.681 38.000 0.045 0.000 1.248 375 I HN -0.060 nan 8.210 nan 0.000 0.471 376 R N 1.914 122.407 120.500 -0.013 0.000 2.441 376 R HA 0.624 4.965 4.340 0.002 0.000 0.284 376 R C -1.178 175.138 176.300 0.027 0.000 1.070 376 R CA -0.624 55.454 56.100 -0.037 0.000 1.047 376 R CB 1.484 31.473 30.300 -0.519 0.000 1.016 376 R HN 0.486 nan 8.270 nan 0.000 0.477 377 V N 2.229 122.249 119.914 0.176 0.000 2.443 377 V HA 0.570 4.691 4.120 0.002 0.000 0.293 377 V C -0.232 176.004 176.094 0.236 0.000 1.021 377 V CA -0.670 61.675 62.300 0.075 0.000 0.848 377 V CB 1.433 33.117 31.823 -0.232 0.000 0.998 377 V HN 0.980 nan 8.190 nan 0.000 0.424 378 A N 3.479 126.427 122.820 0.213 0.000 2.347 378 A HA 1.090 5.411 4.320 0.002 0.000 0.301 378 A C 0.175 177.889 177.584 0.217 0.000 1.163 378 A CA -0.194 52.008 52.037 0.275 0.000 0.860 378 A CB 1.964 21.143 19.000 0.298 0.000 1.367 378 A HN 1.407 nan 8.150 nan 0.000 0.461 379 G N -1.246 107.686 108.800 0.220 0.000 2.559 379 G HA2 0.574 4.536 3.960 0.002 0.000 0.291 379 G HA3 0.574 4.536 3.960 0.002 0.000 0.291 379 G C -1.678 173.314 174.900 0.153 0.000 1.424 379 G CA -0.595 44.611 45.100 0.177 0.000 0.786 379 G HN 0.728 nan 8.290 nan 0.000 0.485 380 E N -0.261 119.984 120.200 0.074 0.000 2.410 380 E HA 0.356 4.707 4.350 0.002 0.000 0.269 380 E C -0.755 175.840 176.600 -0.009 0.000 0.937 380 E CA -1.163 55.270 56.400 0.056 0.000 0.793 380 E CB 1.929 31.636 29.700 0.012 0.000 1.314 380 E HN 0.601 nan 8.360 nan 0.000 0.447 381 N N 0.433 119.109 118.700 -0.040 0.000 2.499 381 N HA 0.183 4.924 4.740 0.002 0.000 0.281 381 N C 0.118 175.541 175.510 -0.145 0.000 1.098 381 N CA -0.070 52.916 53.050 -0.105 0.000 0.979 381 N CB 1.742 40.130 38.487 -0.165 0.000 1.121 381 N HN 0.544 nan 8.380 nan 0.000 0.466 382 A N 2.973 125.709 122.820 -0.139 0.000 1.872 382 A HA 0.098 4.419 4.320 0.002 0.000 0.214 382 A C 1.025 178.535 177.584 -0.123 0.000 1.187 382 A CA 0.660 52.629 52.037 -0.113 0.000 0.614 382 A CB -0.177 18.780 19.000 -0.072 0.000 0.826 382 A HN 0.678 nan 8.150 nan 0.000 0.442 383 L N -0.674 120.453 121.223 -0.160 0.000 2.342 383 L HA 0.402 4.744 4.340 0.002 0.000 0.271 383 L C -2.692 174.021 176.870 -0.262 0.000 1.008 383 L CA -2.511 52.221 54.840 -0.180 0.000 0.818 383 L CB 1.627 43.586 42.059 -0.166 0.000 1.296 383 L HN -0.083 nan 8.230 nan 0.000 0.427 384 P HA 0.095 nan 4.420 nan 0.000 0.262 384 P C -1.057 175.957 177.300 -0.476 0.000 1.182 384 P CA 0.133 62.985 63.100 -0.413 0.000 0.761 384 P CB 0.421 31.945 31.700 -0.295 0.000 0.795 385 R N 2.890 123.007 120.500 -0.639 0.000 2.584 385 R HA 0.308 4.649 4.340 0.002 0.000 0.276 385 R C -0.673 175.229 176.300 -0.663 0.000 1.046 385 R CA -0.514 55.258 56.100 -0.547 0.000 0.906 385 R CB 1.334 31.381 30.300 -0.422 0.000 1.215 385 R HN 0.466 nan 8.270 nan 0.000 0.449 386 Y N -0.535 119.683 120.300 -0.136 0.000 2.563 386 Y HA 0.096 4.647 4.550 0.002 0.000 0.250 386 Y C 0.440 176.312 175.900 -0.046 0.000 1.126 386 Y CA -0.746 57.337 58.100 -0.028 0.000 1.231 386 Y CB 0.772 39.281 38.460 0.083 0.000 1.288 386 Y HN 0.454 nan 8.280 nan 0.000 0.537 387 D N 0.011 120.365 120.400 -0.077 0.000 2.283 387 D HA 0.294 4.935 4.640 0.002 0.000 0.248 387 D C 1.218 177.499 176.300 -0.031 0.000 1.072 387 D CA 0.262 54.253 54.000 -0.015 0.000 0.929 387 D CB 2.212 42.994 40.800 -0.030 0.000 1.182 387 D HN 0.087 nan 8.370 nan 0.000 0.433 388 A N 2.327 125.216 122.820 0.115 0.000 1.917 388 A HA -0.203 4.119 4.320 0.002 0.000 0.219 388 A C 2.131 179.768 177.584 0.088 0.000 1.182 388 A CA 2.118 54.259 52.037 0.173 0.000 0.633 388 A CB -1.087 17.985 19.000 0.120 0.000 0.819 388 A HN 0.725 nan 8.150 nan 0.000 0.448 389 T N 0.273 114.837 114.554 0.018 0.000 2.720 389 T HA -0.083 4.268 4.350 0.002 0.000 0.268 389 T C 2.191 176.865 174.700 -0.042 0.000 1.037 389 T CA 1.757 63.854 62.100 -0.005 0.000 1.144 389 T CB -0.464 68.391 68.868 -0.022 0.000 0.864 389 T HN 0.640 nan 8.240 nan 0.000 0.444 390 A N 0.474 123.209 122.820 -0.141 0.000 1.873 390 A HA -0.053 4.269 4.320 0.002 0.000 0.215 390 A C 2.054 179.523 177.584 -0.191 0.000 1.186 390 A CA 1.293 53.196 52.037 -0.224 0.000 0.616 390 A CB -0.987 17.779 19.000 -0.390 0.000 0.823 390 A HN 0.519 nan 8.150 nan 0.000 0.442 391 Y N 0.913 121.146 120.300 -0.111 0.000 2.224 391 Y HA -0.168 4.383 4.550 0.002 0.000 0.289 391 Y C 2.414 178.346 175.900 0.054 0.000 1.146 391 Y CA 1.256 59.258 58.100 -0.162 0.000 1.182 391 Y CB -0.565 37.807 38.460 -0.145 0.000 0.983 391 Y HN 0.318 nan 8.280 nan 0.000 0.524 392 N N -0.060 118.756 118.700 0.193 0.000 2.188 392 N HA -0.174 4.567 4.740 0.002 0.000 0.184 392 N C 1.878 177.469 175.510 0.135 0.000 1.018 392 N CA 1.243 54.384 53.050 0.152 0.000 0.858 392 N CB -0.420 38.128 38.487 0.100 0.000 0.989 392 N HN 0.361 nan 8.380 nan 0.000 0.426 393 Q N 1.073 120.932 119.800 0.099 0.000 2.079 393 Q HA 0.070 4.411 4.340 0.002 0.000 0.200 393 Q C 1.942 178.032 176.000 0.149 0.000 0.974 393 Q CA 1.088 56.950 55.803 0.100 0.000 0.840 393 Q CB -0.276 28.485 28.738 0.038 0.000 0.898 393 Q HN 0.395 nan 8.270 nan 0.000 0.430 394 I N -0.266 120.400 120.570 0.160 0.000 2.179 394 I HA -0.260 3.911 4.170 0.002 0.000 0.242 394 I C 2.095 178.379 176.117 0.278 0.000 1.088 394 I CA 1.106 62.546 61.300 0.232 0.000 1.357 394 I CB -0.318 37.852 38.000 0.282 0.000 1.051 394 I HN 0.219 nan 8.210 nan 0.000 0.409 395 I N 0.277 121.022 120.570 0.293 0.000 2.264 395 I HA -0.304 3.868 4.170 0.002 0.000 0.248 395 I C 2.538 178.732 176.117 0.128 0.000 1.111 395 I CA 1.107 62.519 61.300 0.186 0.000 1.382 395 I CB -0.328 37.757 38.000 0.141 0.000 1.060 395 I HN 0.268 nan 8.210 nan 0.000 0.418 396 L N 1.215 122.528 121.223 0.150 0.000 1.989 396 L HA -0.217 4.124 4.340 0.002 0.000 0.211 396 L C 2.125 179.101 176.870 0.178 0.000 1.071 396 L CA 1.997 56.922 54.840 0.142 0.000 0.749 396 L CB -0.949 41.226 42.059 0.193 0.000 0.890 396 L HN 0.213 nan 8.230 nan 0.000 0.431 397 N N -0.056 118.822 118.700 0.295 0.000 2.309 397 N HA -0.079 4.662 4.740 0.002 0.000 0.182 397 N C 1.762 177.456 175.510 0.306 0.000 1.018 397 N CA 1.225 54.526 53.050 0.419 0.000 0.876 397 N CB -0.236 38.495 38.487 0.407 0.000 0.972 397 N HN 0.553 nan 8.380 nan 0.000 0.434 398 A N 0.703 123.652 122.820 0.215 0.000 1.969 398 A HA -0.003 4.318 4.320 0.002 0.000 0.218 398 A C 1.061 178.700 177.584 0.092 0.000 1.169 398 A CA 1.055 53.198 52.037 0.176 0.000 0.635 398 A CB 0.104 19.173 19.000 0.115 0.000 0.810 398 A HN 0.168 nan 8.150 nan 0.000 0.445 399 R N -1.369 119.131 120.500 -0.000 0.000 2.718 399 R HA 0.215 4.556 4.340 0.002 0.000 0.266 399 R C -2.491 173.671 176.300 -0.230 0.000 1.776 399 R CA -1.467 54.559 56.100 -0.124 0.000 1.567 399 R CB 1.054 31.292 30.300 -0.104 0.000 1.336 399 R HN 0.128 nan 8.270 nan 0.000 0.619 400 P HA -0.219 nan 4.420 nan 0.000 0.218 400 P C 0.403 177.385 177.300 -0.530 0.000 1.152 400 P CA 1.492 64.073 63.100 -0.865 0.000 0.857 400 P CB 0.310 30.976 31.700 -1.722 0.000 0.787 401 Q N -1.140 118.425 119.800 -0.392 0.000 2.189 401 Q HA 0.354 4.695 4.340 0.002 0.000 0.221 401 Q C 0.804 176.705 176.000 -0.164 0.000 0.848 401 Q CA -0.018 55.642 55.803 -0.237 0.000 1.007 401 Q CB 0.358 28.957 28.738 -0.232 0.000 1.116 401 Q HN 0.134 nan 8.270 nan 0.000 0.481 402 G N 0.489 109.197 108.800 -0.153 0.000 2.752 402 G HA2 -0.270 3.692 3.960 0.002 0.000 0.234 402 G HA3 -0.270 3.692 3.960 0.002 0.000 0.234 402 G C -0.161 174.677 174.900 -0.104 0.000 1.367 402 G CA -0.621 44.418 45.100 -0.103 0.000 0.879 402 G HN 0.143 nan 8.290 nan 0.000 0.563 403 V N 1.047 120.914 119.914 -0.078 0.000 2.924 403 V HA 0.401 4.522 4.120 0.002 0.000 0.305 403 V C 0.723 176.776 176.094 -0.069 0.000 1.073 403 V CA 0.315 62.574 62.300 -0.070 0.000 1.098 403 V CB 1.566 33.357 31.823 -0.054 0.000 1.000 403 V HN 0.949 nan 8.190 nan 0.000 0.484 404 N N 2.631 121.291 118.700 -0.066 0.000 2.417 404 N HA 0.270 5.011 4.740 0.002 0.000 0.274 404 N C 0.425 175.907 175.510 -0.046 0.000 0.987 404 N CA -0.275 52.738 53.050 -0.062 0.000 0.912 404 N CB 0.902 39.345 38.487 -0.072 0.000 1.177 404 N HN 0.590 nan 8.380 nan 0.000 0.490 405 N N 2.141 120.817 118.700 -0.040 0.000 2.459 405 N HA -0.031 4.710 4.740 0.002 0.000 0.181 405 N C -0.690 174.801 175.510 -0.030 0.000 1.046 405 N CA 0.549 53.579 53.050 -0.033 0.000 0.904 405 N CB 0.018 38.488 38.487 -0.029 0.000 0.964 405 N HN 0.549 nan 8.380 nan 0.000 0.444 406 N N 0.147 118.827 118.700 -0.033 0.000 2.765 406 N HA 0.403 5.144 4.740 0.002 0.000 0.277 406 N C -0.607 174.883 175.510 -0.033 0.000 1.750 406 N CA -0.324 52.708 53.050 -0.030 0.000 0.827 406 N CB 1.708 40.179 38.487 -0.028 0.000 1.200 406 N HN 0.114 nan 8.380 nan 0.000 0.494 407 G N 1.035 109.815 108.800 -0.033 0.000 2.354 407 G HA2 -0.056 3.905 3.960 0.002 0.000 0.582 407 G HA3 -0.056 3.905 3.960 0.002 0.000 0.582 407 G C -3.255 171.622 174.900 -0.038 0.000 1.316 407 G CA -1.216 43.863 45.100 -0.034 0.000 0.995 407 G HN 0.071 nan 8.290 nan 0.000 0.573 408 P HA 0.275 nan 4.420 nan 0.000 0.270 408 P C -2.418 174.839 177.300 -0.072 0.000 1.223 408 P CA -0.763 62.315 63.100 -0.036 0.000 0.785 408 P CB 0.060 31.748 31.700 -0.021 0.000 0.923 409 P HA -0.037 nan 4.420 nan 0.000 0.267 409 P C 0.822 177.999 177.300 -0.204 0.000 1.200 409 P CA 0.123 63.139 63.100 -0.140 0.000 0.772 409 P CB 0.532 32.145 31.700 -0.146 0.000 0.855 410 K N 1.404 121.665 120.400 -0.232 0.000 2.063 410 K HA -0.015 4.306 4.320 0.002 0.000 0.208 410 K C 0.927 177.249 176.600 -0.462 0.000 1.048 410 K CA 1.354 57.467 56.287 -0.289 0.000 0.928 410 K CB -0.391 31.953 32.500 -0.260 0.000 0.713 410 K HN 0.517 nan 8.250 nan 0.000 0.442 411 L N -0.079 120.809 121.223 -0.559 0.000 2.381 411 L HA 0.347 4.688 4.340 0.002 0.000 0.268 411 L C -0.492 175.951 176.870 -0.712 0.000 0.997 411 L CA -0.658 53.627 54.840 -0.925 0.000 0.818 411 L CB 2.302 43.700 42.059 -1.102 0.000 1.310 411 L HN -0.125 nan 8.230 nan 0.000 0.416 412 S N 2.809 118.055 115.700 -0.757 0.000 2.543 412 S HA 0.608 5.079 4.470 0.002 0.000 0.273 412 S C -0.907 173.776 174.600 0.138 0.000 1.152 412 S CA -0.699 57.364 58.200 -0.228 0.000 0.910 412 S CB 1.451 64.586 63.200 -0.107 0.000 1.105 412 S HN 0.531 nan 8.310 nan 0.000 0.465 413 M N 4.006 123.822 119.600 0.360 0.000 2.250 413 M HA 0.331 4.812 4.480 0.002 0.000 0.344 413 M C 0.613 177.186 176.300 0.455 0.000 1.150 413 M CA -0.284 55.336 55.300 0.532 0.000 1.147 413 M CB 0.454 33.313 32.600 0.432 0.000 1.498 413 M HN 0.859 nan 8.290 nan 0.000 0.461 414 F N 1.167 121.310 119.950 0.323 0.000 2.234 414 F HA 0.126 4.654 4.527 0.002 0.000 0.299 414 F C 0.964 177.029 175.800 0.441 0.000 1.087 414 F CA 1.315 59.496 58.000 0.300 0.000 1.340 414 F CB 0.222 39.329 39.000 0.179 0.000 1.031 414 F HN 0.562 nan 8.300 nan 0.000 0.500 415 G N -1.008 108.034 108.800 0.403 0.000 2.466 415 G HA2 0.471 4.433 3.960 0.002 0.000 0.291 415 G HA3 0.471 4.433 3.960 0.002 0.000 0.291 415 G C -2.275 172.830 174.900 0.340 0.000 1.460 415 G CA -0.521 44.785 45.100 0.342 0.000 0.791 415 G HN -0.020 nan 8.290 nan 0.000 0.505 416 V N 0.244 120.364 119.914 0.343 0.000 2.588 416 V HA 0.700 4.821 4.120 0.002 0.000 0.304 416 V C -0.243 176.102 176.094 0.419 0.000 1.042 416 V CA -0.593 61.910 62.300 0.339 0.000 0.877 416 V CB 2.135 34.154 31.823 0.326 0.000 0.996 416 V HN 0.841 nan 8.190 nan 0.000 0.425 417 T N 4.644 119.414 114.554 0.361 0.000 2.772 417 T HA 0.391 4.742 4.350 0.002 0.000 0.288 417 T C -0.826 174.075 174.700 0.336 0.000 0.994 417 T CA -0.145 62.175 62.100 0.367 0.000 0.951 417 T CB 0.415 69.429 68.868 0.244 0.000 0.933 417 T HN 0.517 nan 8.240 nan 0.000 0.447 418 Y N 4.205 124.679 120.300 0.291 0.000 2.335 418 Y HA 0.549 5.101 4.550 0.002 0.000 0.331 418 Y C -0.565 175.429 175.900 0.157 0.000 1.094 418 Y CA -1.178 57.074 58.100 0.253 0.000 1.253 418 Y CB 0.571 39.283 38.460 0.420 0.000 1.203 418 Y HN 0.545 nan 8.280 nan 0.000 0.508 419 L N 7.971 128.830 121.223 -0.605 0.000 2.287 419 L HA 0.622 4.963 4.340 0.002 0.000 0.287 419 L C -0.954 175.376 176.870 -0.900 0.000 1.022 419 L CA -0.268 54.289 54.840 -0.470 0.000 0.814 419 L CB 0.733 42.617 42.059 -0.292 0.000 1.217 419 L HN 0.835 nan 8.230 nan 0.000 0.420 420 R N 3.816 124.075 120.500 -0.403 0.000 2.710 420 R HA 0.480 4.822 4.340 0.002 0.000 0.270 420 R C -1.763 174.620 176.300 0.139 0.000 1.021 420 R CA -1.038 55.032 56.100 -0.050 0.000 0.889 420 R CB 1.345 31.627 30.300 -0.029 0.000 1.243 420 R HN 0.635 nan 8.270 nan 0.000 0.464 421 L N 2.883 124.189 121.223 0.139 0.000 2.477 421 L HA 0.337 4.679 4.340 0.002 0.000 0.272 421 L C -0.952 175.965 176.870 0.078 0.000 1.157 421 L CA 1.015 55.918 54.840 0.106 0.000 0.889 421 L CB 0.585 42.693 42.059 0.080 0.000 1.158 421 L HN 0.752 nan 8.230 nan 0.000 0.473 422 S N 1.943 117.681 115.700 0.064 0.000 2.656 422 S HA 0.485 4.956 4.470 0.002 0.000 0.273 422 S C 0.251 174.836 174.600 -0.025 0.000 1.168 422 S CA -0.690 57.535 58.200 0.041 0.000 0.817 422 S CB 0.943 64.201 63.200 0.096 0.000 1.146 422 S HN 0.570 nan 8.310 nan 0.000 0.475 423 D N 0.883 121.260 120.400 -0.038 0.000 2.117 423 D HA -0.075 4.566 4.640 0.002 0.000 0.198 423 D C 0.893 177.122 176.300 -0.119 0.000 0.982 423 D CA 1.370 55.321 54.000 -0.082 0.000 0.828 423 D CB -0.364 40.400 40.800 -0.060 0.000 0.967 423 D HN 0.552 nan 8.370 nan 0.000 0.464 424 D N 0.803 121.135 120.400 -0.113 0.000 2.116 424 D HA -0.157 4.484 4.640 0.002 0.000 0.193 424 D C 2.158 178.232 176.300 -0.377 0.000 0.998 424 D CA 0.417 54.266 54.000 -0.252 0.000 0.836 424 D CB -0.454 40.193 40.800 -0.256 0.000 0.951 424 D HN 0.140 nan 8.370 nan 0.000 0.449 425 L N 0.128 121.230 121.223 -0.201 0.000 2.042 425 L HA -0.137 4.204 4.340 0.002 0.000 0.210 425 L C 1.742 178.534 176.870 -0.130 0.000 1.076 425 L CA 1.418 56.220 54.840 -0.063 0.000 0.749 425 L CB -0.373 41.755 42.059 0.116 0.000 0.893 425 L HN -0.031 nan 8.230 nan 0.000 0.432 426 L N -0.404 120.649 121.223 -0.282 0.000 2.552 426 L HA 0.047 4.388 4.340 0.002 0.000 0.227 426 L C 1.184 177.907 176.870 -0.246 0.000 1.146 426 L CA 0.600 55.140 54.840 -0.501 0.000 0.858 426 L CB -1.042 40.727 42.059 -0.483 0.000 0.969 426 L HN 0.354 nan 8.230 nan 0.000 0.451 427 Q N -0.002 119.714 119.800 -0.141 0.000 2.361 427 Q HA -0.084 4.258 4.340 0.002 0.000 0.276 427 Q C 1.292 177.305 176.000 0.021 0.000 1.022 427 Q CA 0.139 55.897 55.803 -0.075 0.000 0.898 427 Q CB 0.847 29.523 28.738 -0.103 0.000 1.246 427 Q HN 0.115 nan 8.270 nan 0.000 0.410 428 K N 1.233 121.653 120.400 0.033 0.000 2.013 428 K HA -0.340 3.981 4.320 0.002 0.000 0.225 428 K C 2.107 178.767 176.600 0.100 0.000 1.056 428 K CA 2.513 58.849 56.287 0.081 0.000 0.971 428 K CB -0.253 32.273 32.500 0.043 0.000 0.731 428 K HN 0.765 nan 8.250 nan 0.000 0.450 429 S N 0.535 116.270 115.700 0.058 0.000 2.356 429 S HA -0.154 4.317 4.470 0.002 0.000 0.223 429 S C 1.791 176.449 174.600 0.096 0.000 1.032 429 S CA 1.434 59.671 58.200 0.062 0.000 1.005 429 S CB -0.646 62.576 63.200 0.037 0.000 0.867 429 S HN 0.329 nan 8.310 nan 0.000 0.449 430 N N 1.105 119.853 118.700 0.080 0.000 2.069 430 N HA -0.026 4.715 4.740 0.002 0.000 0.191 430 N C 1.371 177.040 175.510 0.265 0.000 1.031 430 N CA 1.296 54.424 53.050 0.131 0.000 0.852 430 N CB -0.825 37.615 38.487 -0.077 0.000 1.018 430 N HN 0.451 nan 8.380 nan 0.000 0.423 431 F N 2.113 122.091 119.950 0.046 0.000 2.171 431 F HA -0.071 4.457 4.527 0.002 0.000 0.300 431 F C 1.756 177.625 175.800 0.114 0.000 1.090 431 F CA 0.983 59.034 58.000 0.085 0.000 1.293 431 F CB -0.493 38.522 39.000 0.025 0.000 1.013 431 F HN -0.000 nan 8.300 nan 0.000 0.486 432 N N 0.310 119.056 118.700 0.076 0.000 2.244 432 N HA -0.126 4.615 4.740 0.002 0.000 0.183 432 N C 1.971 177.443 175.510 -0.064 0.000 1.016 432 N CA 1.458 54.481 53.050 -0.044 0.000 0.866 432 N CB -0.308 38.184 38.487 0.009 0.000 0.980 432 N HN 0.314 nan 8.380 nan 0.000 0.430 433 I N -0.730 119.858 120.570 0.031 0.000 2.353 433 I HA -0.186 3.986 4.170 0.002 0.000 0.248 433 I C 1.788 177.809 176.117 -0.160 0.000 1.119 433 I CA 0.614 61.932 61.300 0.030 0.000 1.417 433 I CB -0.211 37.922 38.000 0.221 0.000 1.078 433 I HN 0.050 nan 8.210 nan 0.000 0.421 434 F N 2.422 122.201 119.950 -0.285 0.000 2.102 434 F HA -0.209 4.319 4.527 0.002 0.000 0.298 434 F C 2.425 177.940 175.800 -0.476 0.000 1.105 434 F CA 1.718 59.411 58.000 -0.513 0.000 1.239 434 F CB -0.263 38.593 39.000 -0.240 0.000 0.991 434 F HN -0.171 nan 8.300 nan 0.000 0.474 435 K N 0.245 120.345 120.400 -0.499 0.000 2.103 435 K HA -0.216 4.106 4.320 0.002 0.000 0.207 435 K C 2.031 178.329 176.600 -0.503 0.000 1.048 435 K CA 1.900 57.848 56.287 -0.564 0.000 0.930 435 K CB -0.216 32.000 32.500 -0.472 0.000 0.716 435 K HN 0.323 nan 8.250 nan 0.000 0.444 436 K N 0.008 120.175 120.400 -0.387 0.000 2.103 436 K HA -0.118 4.203 4.320 0.002 0.000 0.204 436 K C 1.951 178.321 176.600 -0.383 0.000 1.052 436 K CA 1.069 57.171 56.287 -0.308 0.000 0.945 436 K CB -0.194 32.196 32.500 -0.184 0.000 0.722 436 K HN 0.082 nan 8.250 nan 0.000 0.443 437 F N 1.687 121.226 119.950 -0.685 0.000 2.126 437 F HA -0.213 4.316 4.527 0.002 0.000 0.299 437 F C 1.723 177.081 175.800 -0.736 0.000 1.096 437 F CA 1.164 58.717 58.000 -0.744 0.000 1.255 437 F CB -0.396 37.835 39.000 -1.281 0.000 0.997 437 F HN -0.290 nan 8.300 nan 0.000 0.479 438 V N 0.500 119.693 119.914 -1.202 0.000 2.358 438 V HA -0.259 3.862 4.120 0.002 0.000 0.246 438 V C 2.424 177.873 176.094 -1.076 0.000 1.047 438 V CA 1.679 63.192 62.300 -1.312 0.000 1.035 438 V CB -0.936 30.239 31.823 -1.079 0.000 0.658 438 V HN 0.443 nan 8.190 nan 0.000 0.452 439 L N 0.218 121.037 121.223 -0.675 0.000 1.989 439 L HA -0.154 4.188 4.340 0.002 0.000 0.211 439 L C 2.492 179.132 176.870 -0.383 0.000 1.071 439 L CA 1.989 56.580 54.840 -0.415 0.000 0.749 439 L CB -0.643 41.251 42.059 -0.276 0.000 0.890 439 L HN 0.149 nan 8.230 nan 0.000 0.431 440 K N -1.071 119.092 120.400 -0.396 0.000 2.148 440 K HA -0.072 4.249 4.320 0.002 0.000 0.204 440 K C 2.011 178.394 176.600 -0.362 0.000 1.050 440 K CA 1.102 57.210 56.287 -0.298 0.000 0.942 440 K CB -0.499 31.874 32.500 -0.210 0.000 0.724 440 K HN 0.330 nan 8.250 nan 0.000 0.446 441 M N 0.029 119.266 119.600 -0.605 0.000 2.296 441 M HA -0.096 4.385 4.480 0.002 0.000 0.265 441 M C 1.215 177.201 176.300 -0.524 0.000 1.064 441 M CA 1.452 56.385 55.300 -0.612 0.000 1.109 441 M CB -0.803 31.227 32.600 -0.950 0.000 1.396 441 M HN 0.275 nan 8.290 nan 0.000 0.430 442 H N -0.258 118.399 119.070 -0.688 0.000 2.524 442 H HA 0.327 4.884 4.556 0.002 0.000 0.280 442 H C 0.752 175.877 175.328 -0.338 0.000 1.018 442 H CA 0.016 55.571 56.048 -0.821 0.000 1.165 442 H CB 0.169 29.450 29.762 -0.801 0.000 1.411 442 H HN 0.435 nan 8.280 nan 0.000 0.569 443 A N 1.659 124.386 122.820 -0.155 0.000 2.687 443 A HA -0.285 4.036 4.320 0.002 0.000 0.299 443 A C 0.557 178.107 177.584 -0.058 0.000 1.497 443 A CA 0.826 52.812 52.037 -0.084 0.000 0.751 443 A CB -1.899 17.081 19.000 -0.033 0.000 1.048 443 A HN 0.769 nan 8.150 nan 0.000 0.464 444 D N -2.600 117.749 120.400 -0.085 0.000 2.978 444 D HA -0.173 4.468 4.640 0.002 0.000 0.205 444 D C 0.288 176.570 176.300 -0.029 0.000 1.093 444 D CA 2.014 55.974 54.000 -0.066 0.000 1.006 444 D CB -0.586 40.182 40.800 -0.054 0.000 1.116 444 D HN 0.887 nan 8.370 nan 0.000 0.419 445 Q N 0.693 120.498 119.800 0.009 0.000 2.221 445 Q HA 0.350 4.691 4.340 0.002 0.000 0.242 445 Q C 0.288 176.329 176.000 0.069 0.000 0.940 445 Q CA -0.289 55.540 55.803 0.043 0.000 0.896 445 Q CB 1.014 29.805 28.738 0.088 0.000 1.226 445 Q HN 0.066 nan 8.270 nan 0.000 0.463 446 D N 0.271 120.702 120.400 0.053 0.000 2.377 446 D HA 0.030 4.672 4.640 0.002 0.000 0.245 446 D C -0.277 176.087 176.300 0.108 0.000 1.196 446 D CA -0.230 53.820 54.000 0.083 0.000 0.962 446 D CB 0.275 41.107 40.800 0.055 0.000 1.127 446 D HN 0.338 nan 8.370 nan 0.000 0.471 447 Y N 0.645 120.970 120.300 0.041 0.000 2.904 447 Y HA -0.047 4.504 4.550 0.002 0.000 0.336 447 Y C -0.237 175.632 175.900 -0.052 0.000 1.263 447 Y CA -0.270 57.830 58.100 -0.000 0.000 1.547 447 Y CB 0.279 38.757 38.460 0.031 0.000 1.272 447 Y HN 0.216 nan 8.280 nan 0.000 0.596 448 C N 7.669 126.382 119.300 -0.979 0.000 2.322 448 C HA 0.727 5.188 4.460 0.002 0.000 0.324 448 C C 1.146 175.519 174.990 -1.029 0.000 1.249 448 C CA -0.119 58.368 59.018 -0.885 0.000 1.453 448 C CB -0.570 26.662 27.740 -0.848 0.000 2.145 448 C HN 1.092 nan 8.230 nan 0.000 0.466 449 A N 4.436 126.811 122.820 -0.741 0.000 1.929 449 A HA 0.026 4.347 4.320 0.002 0.000 0.216 449 A C 1.145 178.607 177.584 -0.202 0.000 1.176 449 A CA 0.883 52.707 52.037 -0.355 0.000 0.628 449 A CB -0.444 18.521 19.000 -0.057 0.000 0.816 449 A HN 0.917 nan 8.150 nan 0.000 0.444 450 N N 0.271 118.820 118.700 -0.250 0.000 2.406 450 N HA 0.215 4.956 4.740 0.002 0.000 0.251 450 N C -2.150 173.078 175.510 -0.471 0.000 1.069 450 N CA -1.638 51.257 53.050 -0.258 0.000 0.947 450 N CB 1.183 39.545 38.487 -0.209 0.000 1.111 450 N HN -0.059 nan 8.380 nan 0.000 0.497 451 P HA -0.219 nan 4.420 nan 0.000 0.218 451 P C 1.138 177.931 177.300 -0.846 0.000 1.148 451 P CA 1.006 63.442 63.100 -1.107 0.000 0.822 451 P CB 0.155 31.561 31.700 -0.489 0.000 0.784 452 Q N 0.590 120.132 119.800 -0.430 0.000 2.197 452 Q HA -0.237 4.104 4.340 0.002 0.000 0.207 452 Q C 1.664 177.499 176.000 -0.276 0.000 0.984 452 Q CA 1.760 57.402 55.803 -0.269 0.000 0.869 452 Q CB -0.299 28.336 28.738 -0.173 0.000 0.906 452 Q HN 0.217 nan 8.270 nan 0.000 0.426 453 K N -0.097 120.093 120.400 -0.350 0.000 2.288 453 K HA -0.127 4.194 4.320 0.002 0.000 0.201 453 K C 0.468 176.953 176.600 -0.193 0.000 1.048 453 K CA 1.069 57.204 56.287 -0.253 0.000 0.956 453 K CB 0.122 32.471 32.500 -0.252 0.000 0.746 453 K HN 0.476 nan 8.250 nan 0.000 0.461 454 Y N -0.800 119.344 120.300 -0.259 0.000 2.781 454 Y HA 0.357 4.908 4.550 0.002 0.000 0.326 454 Y C -0.166 175.725 175.900 -0.014 0.000 1.019 454 Y CA -1.137 56.839 58.100 -0.206 0.000 1.372 454 Y CB -1.008 37.215 38.460 -0.396 0.000 1.260 454 Y HN 0.060 nan 8.280 nan 0.000 0.546 455 N N 0.653 119.372 118.700 0.032 0.000 2.708 455 N HA -0.280 4.461 4.740 0.002 0.000 0.251 455 N C -1.153 174.490 175.510 0.221 0.000 1.123 455 N CA 0.560 53.677 53.050 0.110 0.000 0.739 455 N CB -0.854 37.724 38.487 0.151 0.000 1.113 455 N HN 0.611 nan 8.380 nan 0.000 0.561 456 H N 0.249 119.244 119.070 -0.124 0.000 2.724 456 H HA 0.502 5.059 4.556 0.002 0.000 0.278 456 H C 0.034 175.341 175.328 -0.035 0.000 1.159 456 H CA 0.253 56.286 56.048 -0.025 0.000 1.254 456 H CB 0.982 30.684 29.762 -0.100 0.000 1.412 456 H HN 0.333 nan 8.280 nan 0.000 0.488 457 A N 4.002 126.887 122.820 0.108 0.000 2.444 457 A HA 0.266 4.587 4.320 0.002 0.000 0.273 457 A C 0.222 177.854 177.584 0.080 0.000 1.136 457 A CA -0.369 51.701 52.037 0.055 0.000 0.799 457 A CB -0.701 18.321 19.000 0.035 0.000 1.081 457 A HN 0.718 nan 8.150 nan 0.000 0.509 458 I N 3.568 124.168 120.570 0.050 0.000 2.306 458 I HA 0.600 4.772 4.170 0.002 0.000 0.288 458 I C 0.162 176.301 176.117 0.036 0.000 1.036 458 I CA 0.356 61.694 61.300 0.063 0.000 1.221 458 I CB 1.011 39.044 38.000 0.056 0.000 1.385 458 I HN 0.605 nan 8.210 nan 0.000 0.472 459 T N 3.810 118.386 114.554 0.035 0.000 2.865 459 T HA 0.686 5.038 4.350 0.002 0.000 0.294 459 T C -2.965 171.748 174.700 0.021 0.000 1.119 459 T CA -2.147 59.963 62.100 0.017 0.000 1.007 459 T CB 1.386 70.253 68.868 -0.002 0.000 1.225 459 T HN 0.274 nan 8.240 nan 0.000 0.515 460 P HA 0.255 nan 4.420 nan 0.000 0.268 460 P C -0.532 176.782 177.300 0.023 0.000 1.204 460 P CA -0.595 62.521 63.100 0.026 0.000 0.768 460 P CB 0.195 31.906 31.700 0.019 0.000 0.842 461 L N 4.401 125.657 121.223 0.055 0.000 2.462 461 L HA 0.095 4.436 4.340 0.002 0.000 0.272 461 L C 0.328 177.239 176.870 0.068 0.000 1.166 461 L CA 0.679 55.565 54.840 0.076 0.000 0.880 461 L CB -0.311 41.828 42.059 0.134 0.000 1.142 461 L HN 0.174 nan 8.230 nan 0.000 0.473 462 K N 6.978 127.392 120.400 0.023 0.000 2.118 462 K HA 0.459 4.781 4.320 0.002 0.000 0.264 462 K C -2.325 174.382 176.600 0.179 0.000 1.000 462 K CA -1.778 54.518 56.287 0.015 0.000 0.929 462 K CB 0.647 33.042 32.500 -0.176 0.000 1.021 462 K HN 0.467 nan 8.250 nan 0.000 0.463 463 P HA 0.002 nan 4.420 nan 0.000 0.270 463 P C -0.419 177.014 177.300 0.222 0.000 1.227 463 P CA -0.095 63.095 63.100 0.151 0.000 0.788 463 P CB 0.384 32.135 31.700 0.084 0.000 0.926 464 S N -0.020 115.729 115.700 0.082 0.000 2.568 464 S HA 0.291 4.762 4.470 0.002 0.000 0.282 464 S C 0.744 175.303 174.600 -0.069 0.000 1.338 464 S CA -0.299 57.836 58.200 -0.110 0.000 1.045 464 S CB 0.088 63.178 63.200 -0.183 0.000 0.873 464 S HN 0.662 nan 8.310 nan 0.000 0.516 465 A N 3.815 126.548 122.820 -0.144 0.000 2.327 465 A HA 0.533 4.855 4.320 0.002 0.000 0.255 465 A C -2.274 175.259 177.584 -0.085 0.000 1.099 465 A CA -1.407 50.602 52.037 -0.046 0.000 0.801 465 A CB -0.803 18.180 19.000 -0.028 0.000 1.062 465 A HN 0.546 nan 8.150 nan 0.000 0.496 466 P HA 0.032 nan 4.420 nan 0.000 0.267 466 P C -0.461 176.804 177.300 -0.059 0.000 1.201 466 P CA -0.017 63.059 63.100 -0.039 0.000 0.775 466 P CB 0.314 32.003 31.700 -0.019 0.000 0.854 467 K N 2.067 122.441 120.400 -0.043 0.000 2.485 467 K HA 0.121 4.442 4.320 0.002 0.000 0.277 467 K C 0.235 176.819 176.600 -0.026 0.000 0.990 467 K CA 0.484 56.749 56.287 -0.037 0.000 0.994 467 K CB 0.005 32.498 32.500 -0.012 0.000 0.906 467 K HN 0.435 nan 8.250 nan 0.000 0.488 468 I N 5.833 126.389 120.570 -0.023 0.000 2.330 468 I HA 0.143 4.314 4.170 0.002 0.000 0.289 468 I C -1.749 174.370 176.117 0.003 0.000 1.001 468 I CA -2.235 59.059 61.300 -0.010 0.000 1.193 468 I CB 1.552 39.545 38.000 -0.012 0.000 1.345 468 I HN 0.314 nan 8.210 nan 0.000 0.461 469 P HA -0.022 nan 4.420 nan 0.000 0.266 469 P C 0.907 178.217 177.300 0.016 0.000 1.195 469 P CA -0.171 62.938 63.100 0.015 0.000 0.768 469 P CB 1.397 33.107 31.700 0.017 0.000 0.838 470 I N 2.731 123.313 120.570 0.020 0.000 2.185 470 I HA -0.306 3.865 4.170 0.002 0.000 0.246 470 I C 2.178 178.305 176.117 0.018 0.000 1.088 470 I CA 1.922 63.233 61.300 0.019 0.000 1.347 470 I CB -0.697 37.317 38.000 0.023 0.000 1.041 470 I HN 0.511 nan 8.210 nan 0.000 0.415 471 E N 0.038 120.251 120.200 0.022 0.000 2.153 471 E HA -0.158 4.193 4.350 0.002 0.000 0.194 471 E C 2.071 178.680 176.600 0.015 0.000 0.988 471 E CA 1.819 58.232 56.400 0.021 0.000 0.811 471 E CB -1.037 28.679 29.700 0.027 0.000 0.746 471 E HN 0.427 nan 8.360 nan 0.000 0.466 472 V N 1.549 121.472 119.914 0.014 0.000 2.591 472 V HA -0.157 3.964 4.120 0.002 0.000 0.249 472 V C 2.606 178.706 176.094 0.010 0.000 1.053 472 V CA 1.037 63.345 62.300 0.013 0.000 1.068 472 V CB -0.467 31.364 31.823 0.013 0.000 0.689 472 V HN 0.167 nan 8.190 nan 0.000 0.462 473 L N -0.577 120.651 121.223 0.009 0.000 2.056 473 L HA -0.123 4.218 4.340 0.002 0.000 0.207 473 L C 2.235 179.104 176.870 -0.002 0.000 1.078 473 L CA 1.438 56.282 54.840 0.006 0.000 0.749 473 L CB -0.384 41.680 42.059 0.007 0.000 0.901 473 L HN 0.294 nan 8.230 nan 0.000 0.433 474 L N -0.696 120.525 121.223 -0.003 0.000 2.465 474 L HA -0.128 4.213 4.340 0.002 0.000 0.224 474 L C 2.099 178.958 176.870 -0.019 0.000 1.145 474 L CA 0.568 55.400 54.840 -0.014 0.000 0.834 474 L CB -0.417 41.639 42.059 -0.006 0.000 0.944 474 L HN 0.307 nan 8.230 nan 0.000 0.451 475 E N 0.628 120.823 120.200 -0.008 0.000 2.268 475 E HA -0.134 4.217 4.350 0.002 0.000 0.195 475 E C 2.081 178.673 176.600 -0.014 0.000 0.995 475 E CA 0.806 57.202 56.400 -0.007 0.000 0.836 475 E CB 0.030 29.733 29.700 0.004 0.000 0.763 475 E HN 0.475 nan 8.360 nan 0.000 0.491 476 A N 0.781 123.591 122.820 -0.016 0.000 2.235 476 A HA -0.074 4.247 4.320 0.002 0.000 0.208 476 A C 2.106 179.663 177.584 -0.044 0.000 1.172 476 A CA 1.204 53.228 52.037 -0.021 0.000 0.786 476 A CB -0.603 18.390 19.000 -0.013 0.000 0.804 476 A HN 0.313 nan 8.150 nan 0.000 0.479 477 T N -2.419 112.099 114.554 -0.060 0.000 3.088 477 T HA 0.059 4.410 4.350 0.002 0.000 0.259 477 T C 0.849 175.497 174.700 -0.087 0.000 1.122 477 T CA 0.280 62.323 62.100 -0.095 0.000 1.095 477 T CB -0.395 68.393 68.868 -0.132 0.000 0.930 477 T HN 0.411 nan 8.240 nan 0.000 0.508 478 K N 3.094 123.459 120.400 -0.059 0.000 2.453 478 K HA 0.115 4.436 4.320 0.002 0.000 0.280 478 K C -2.565 174.003 176.600 -0.053 0.000 1.045 478 K CA -1.515 54.742 56.287 -0.049 0.000 1.059 478 K CB 0.159 32.640 32.500 -0.030 0.000 0.901 478 K HN 0.127 nan 8.250 nan 0.000 0.475 479 P HA -0.017 nan 4.420 nan 0.000 0.265 479 P C -1.195 176.078 177.300 -0.046 0.000 1.193 479 P CA 0.085 63.155 63.100 -0.051 0.000 0.765 479 P CB 0.801 32.474 31.700 -0.044 0.000 0.823 480 T N 0.090 114.612 114.554 -0.055 0.000 2.993 480 T HA 0.425 4.776 4.350 0.002 0.000 0.312 480 T C -0.485 174.166 174.700 -0.081 0.000 1.115 480 T CA -1.178 60.880 62.100 -0.070 0.000 1.027 480 T CB 1.154 69.965 68.868 -0.095 0.000 1.116 480 T HN 0.204 nan 8.240 nan 0.000 0.464 481 R N 2.972 123.427 120.500 -0.074 0.000 2.570 481 R HA 0.333 4.674 4.340 0.002 0.000 0.277 481 R C -1.847 174.380 176.300 -0.122 0.000 1.039 481 R CA -1.105 54.958 56.100 -0.061 0.000 1.065 481 R CB 0.337 30.619 30.300 -0.029 0.000 0.964 481 R HN 0.528 nan 8.270 nan 0.000 0.428 482 P HA 0.008 nan 4.420 nan 0.000 0.274 482 P C -0.692 176.631 177.300 0.038 0.000 1.246 482 P CA -0.111 62.950 63.100 -0.065 0.000 0.795 482 P CB 0.453 32.144 31.700 -0.016 0.000 1.006 483 F N 1.139 121.291 119.950 0.337 0.000 2.496 483 F HA 0.167 4.696 4.527 0.002 0.000 0.344 483 F C -1.107 174.946 175.800 0.422 0.000 1.155 483 F CA -1.545 56.652 58.000 0.329 0.000 1.302 483 F CB -0.978 38.216 39.000 0.324 0.000 1.159 483 F HN 0.222 nan 8.300 nan 0.000 0.595 484 P HA -0.057 nan 4.420 nan 0.000 0.271 484 P C -0.700 176.865 177.300 0.442 0.000 1.216 484 P CA -0.092 63.237 63.100 0.381 0.000 0.771 484 P CB 0.643 32.479 31.700 0.227 0.000 0.864 485 W N 3.310 124.682 121.300 0.119 0.000 2.578 485 W HA 0.349 5.010 4.660 0.002 0.000 0.346 485 W C 0.101 176.663 176.519 0.072 0.000 1.075 485 W CA -0.848 56.560 57.345 0.105 0.000 1.233 485 W CB 1.919 31.442 29.460 0.105 0.000 1.358 485 W HN 0.233 nan 8.180 nan 0.000 0.574 486 L N 1.750 123.076 121.223 0.173 0.000 2.453 486 L HA -0.048 4.293 4.340 0.002 0.000 0.261 486 L C 1.318 178.299 176.870 0.187 0.000 1.179 486 L CA 0.310 55.222 54.840 0.120 0.000 0.813 486 L CB 0.536 42.618 42.059 0.039 0.000 1.110 486 L HN 0.490 nan 8.230 nan 0.000 0.466 487 D N 0.045 120.523 120.400 0.130 0.000 2.213 487 D HA -0.032 4.609 4.640 0.002 0.000 0.205 487 D C -0.170 176.194 176.300 0.107 0.000 0.961 487 D CA 1.062 55.134 54.000 0.120 0.000 0.853 487 D CB 0.531 41.381 40.800 0.083 0.000 0.967 487 D HN 0.527 nan 8.370 nan 0.000 0.496 488 E N -0.680 119.572 120.200 0.086 0.000 2.314 488 E HA 0.252 4.604 4.350 0.002 0.000 0.272 488 E C -0.952 175.684 176.600 0.060 0.000 0.884 488 E CA -0.664 55.779 56.400 0.072 0.000 0.753 488 E CB 1.861 31.591 29.700 0.050 0.000 1.213 488 E HN -0.148 nan 8.360 nan 0.000 0.432 489 T N 0.432 115.021 114.554 0.059 0.000 2.856 489 T HA -0.009 4.342 4.350 0.002 0.000 0.306 489 T C 0.675 175.385 174.700 0.017 0.000 1.062 489 T CA -0.110 62.012 62.100 0.037 0.000 1.083 489 T CB 0.358 69.254 68.868 0.045 0.000 0.984 489 T HN 0.608 nan 8.240 nan 0.000 0.542 490 D N 2.040 122.438 120.400 -0.003 0.000 2.339 490 D HA 0.028 4.670 4.640 0.002 0.000 0.217 490 D C 0.398 176.688 176.300 -0.017 0.000 1.050 490 D CA 0.205 54.199 54.000 -0.011 0.000 0.856 490 D CB 0.130 40.916 40.800 -0.022 0.000 0.922 490 D HN 0.327 nan 8.370 nan 0.000 0.518 491 M N 0.917 120.508 119.600 -0.016 0.000 2.944 491 M HA 0.293 4.774 4.480 0.002 0.000 0.235 491 M C -0.594 175.698 176.300 -0.012 0.000 1.188 491 M CA -0.608 54.675 55.300 -0.028 0.000 0.688 491 M CB 0.935 33.503 32.600 -0.054 0.000 1.406 491 M HN -0.270 nan 8.290 nan 0.000 0.479 492 K N 0.700 121.102 120.400 0.003 0.000 2.355 492 K HA 0.106 4.427 4.320 0.002 0.000 0.270 492 K C 1.467 178.072 176.600 0.008 0.000 1.003 492 K CA -0.042 56.259 56.287 0.023 0.000 0.957 492 K CB 0.995 33.510 32.500 0.025 0.000 0.939 492 K HN 0.336 nan 8.250 nan 0.000 0.482 493 V N -1.158 118.775 119.914 0.031 0.000 2.982 493 V HA -0.186 3.935 4.120 0.002 0.000 0.265 493 V C 0.563 176.650 176.094 -0.011 0.000 1.122 493 V CA 1.497 63.797 62.300 0.001 0.000 1.143 493 V CB -0.465 31.383 31.823 0.041 0.000 0.726 493 V HN 0.555 nan 8.190 nan 0.000 0.507 494 D N 0.745 121.149 120.400 0.005 0.000 3.132 494 D HA 0.441 5.082 4.640 0.002 0.000 0.233 494 D C 0.937 177.233 176.300 -0.008 0.000 1.216 494 D CA 0.837 54.837 54.000 -0.000 0.000 1.227 494 D CB -0.163 40.645 40.800 0.013 0.000 0.930 494 D HN 0.464 nan 8.370 nan 0.000 0.202 495 G N 0.000 108.799 108.800 -0.001 0.000 5.446 495 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 495 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 495 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 495 G HN 0.000 nan 8.290 nan 0.000 0.925