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 2ade_1_A DATA FIRST_RESID 2 DATA SEQUENCE QIEQPYRTGY HFQPPSNWMN DPNGPMLYQG VYHFFYQYNP YAATFGDVII DATA SEQUENCE WGHAVSYDLV NWIHLDPAIY PTQEADSKSC WSGSATILPG NIPAMLYTGS DATA SEQUENCE DSKSRQVQDL AWPKNLSDPF LREWVKHPKN PLITPPEGVK DDCFRDPSTA DATA SEQUENCE WLGPDGVWRI VVGGDRDNNG MAFLYQSTDF VNWKRYDQPL SSADATGTWE DATA SEQUENCE CPDFYPVPLN STNGLDTSVY GGSVRHVMKA GFEGHDWYTI GTYSPDRENF DATA SEQUENCE LPQNGLSLTG STLDLRYDYG QFYASKSFFD DAKNRRVLWA WVPETDSQAD DATA SEQUENCE DIEKGWAGLQ SFPRALWIDR NGKQLIQWPV EEIEELRQNQ VNLQNKNLKP DATA SEQUENCE GSVLEIHGIA ASQADVTISF KLEGLKEAEV LDTTLVDPQA LcNERGASSR DATA SEQUENCE GALGPFGLLA MASKDLKEQS AIFFRVFQNQ LGRYSVLMcS DLSRSTVRSN DATA SEQUENCE IDTTSYGAFV DIDPRSEEIS LRNLIDHSII ESFGAGGKTC ITSRIYPKFV DATA SEQUENCE NNEEAHLFVF NNGTQNVKIS EMSAWSMKNA KFVVDQS 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 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 176.004 176.000 0.007 0.000 1.003 2 Q CA 0.000 55.812 55.803 0.014 0.000 1.022 2 Q CB 0.000 28.746 28.738 0.014 0.000 1.108 3 I N 1.665 122.231 120.570 -0.006 0.000 2.509 3 I HA 0.300 4.469 4.170 -0.001 0.000 0.293 3 I C -0.037 176.065 176.117 -0.025 0.000 1.020 3 I CA -0.904 60.386 61.300 -0.015 0.000 1.088 3 I CB 1.917 39.901 38.000 -0.026 0.000 1.267 3 I HN 0.291 nan 8.210 nan 0.000 0.430 4 E N 6.175 126.364 120.200 -0.018 0.000 2.194 4 E HA 0.160 4.509 4.350 -0.001 0.000 0.284 4 E C -0.536 176.054 176.600 -0.016 0.000 1.035 4 E CA -0.132 56.263 56.400 -0.009 0.000 0.836 4 E CB 0.962 30.661 29.700 -0.001 0.000 1.070 4 E HN 0.431 nan 8.360 nan 0.000 0.401 5 Q N 1.964 121.772 119.800 0.013 0.000 2.457 5 Q HA -0.152 4.188 4.340 -0.001 0.000 0.333 5 Q C -1.620 174.362 176.000 -0.030 0.000 1.448 5 Q CA 0.304 56.146 55.803 0.066 0.000 0.891 5 Q CB -0.994 27.796 28.738 0.088 0.000 1.142 5 Q HN 0.476 nan 8.270 nan 0.000 0.375 6 P HA -0.158 nan 4.420 nan 0.000 0.231 6 P C 0.339 177.474 177.300 -0.275 0.000 1.158 6 P CA 1.302 64.240 63.100 -0.270 0.000 0.763 6 P CB 0.063 31.513 31.700 -0.417 0.000 0.805 7 Y N -0.269 120.122 120.300 0.151 0.000 2.478 7 Y HA 0.218 4.767 4.550 -0.001 0.000 0.261 7 Y C 1.578 177.627 175.900 0.248 0.000 1.127 7 Y CA -0.446 57.794 58.100 0.233 0.000 1.288 7 Y CB -0.357 38.313 38.460 0.349 0.000 1.084 7 Y HN -0.192 nan 8.280 nan 0.000 0.530 8 R N 1.101 121.694 120.500 0.156 0.000 2.590 8 R HA 0.151 4.491 4.340 -0.001 0.000 0.274 8 R C 0.744 176.807 176.300 -0.396 0.000 1.061 8 R CA 0.272 56.196 56.100 -0.294 0.000 1.081 8 R CB 0.353 30.362 30.300 -0.485 0.000 0.984 8 R HN 0.159 nan 8.270 nan 0.000 0.448 9 T N -1.142 113.190 114.554 -0.370 0.000 2.828 9 T HA 0.202 4.552 4.350 -0.001 0.000 0.290 9 T C 1.229 175.783 174.700 -0.245 0.000 1.019 9 T CA -0.379 61.564 62.100 -0.261 0.000 1.031 9 T CB 1.582 70.333 68.868 -0.195 0.000 1.001 9 T HN 0.635 nan 8.240 nan 0.000 0.531 10 G N -0.450 108.311 108.800 -0.065 0.000 2.762 10 G HA2 0.172 4.132 3.960 -0.001 0.000 0.209 10 G HA3 0.172 4.132 3.960 -0.001 0.000 0.209 10 G C 0.488 175.566 174.900 0.297 0.000 1.134 10 G CA 0.022 45.185 45.100 0.105 0.000 0.781 10 G HN 0.976 nan 8.290 nan 0.000 0.528 11 Y N -1.526 118.943 120.300 0.283 0.000 2.809 11 Y HA 0.581 5.131 4.550 -0.000 0.000 0.251 11 Y C -0.279 175.822 175.900 0.335 0.000 1.136 11 Y CA -1.561 56.718 58.100 0.298 0.000 1.185 11 Y CB -0.695 37.835 38.460 0.117 0.000 1.260 11 Y HN 0.013 nan 8.280 nan 0.000 0.576 12 H N 0.852 120.001 119.070 0.133 0.000 2.499 12 H HA 0.406 4.962 4.556 -0.001 0.000 0.340 12 H C -1.233 174.214 175.328 0.199 0.000 1.148 12 H CA -1.186 54.980 56.048 0.197 0.000 1.215 12 H CB 1.368 31.128 29.762 -0.003 0.000 1.529 12 H HN 0.266 nan 8.280 nan 0.000 0.510 13 F N 3.177 123.240 119.950 0.188 0.000 2.443 13 F HA 0.241 4.767 4.527 -0.001 0.000 0.353 13 F C -0.213 175.449 175.800 -0.229 0.000 1.101 13 F CA 0.112 58.082 58.000 -0.050 0.000 1.226 13 F CB 0.224 38.969 39.000 -0.425 0.000 1.140 13 F HN 0.577 nan 8.300 nan 0.000 0.557 14 Q N 6.611 125.658 119.800 -1.254 0.000 2.545 14 Q HA 0.442 4.782 4.340 -0.001 0.000 0.273 14 Q C -3.234 172.101 176.000 -1.108 0.000 0.975 14 Q CA -2.079 53.181 55.803 -0.906 0.000 0.876 14 Q CB 2.060 30.433 28.738 -0.608 0.000 1.472 14 Q HN 0.302 nan 8.270 nan 0.000 0.389 15 P HA 0.194 nan 4.420 nan 0.000 0.274 15 P C -2.050 174.879 177.300 -0.618 0.000 1.256 15 P CA -1.134 61.548 63.100 -0.696 0.000 0.795 15 P CB 0.407 31.904 31.700 -0.338 0.000 1.038 16 P HA -0.136 nan 4.420 nan 0.000 0.217 16 P C 0.553 177.707 177.300 -0.244 0.000 1.148 16 P CA 1.800 64.660 63.100 -0.399 0.000 0.834 16 P CB 0.025 31.545 31.700 -0.301 0.000 0.783 17 S N -4.926 110.712 115.700 -0.103 0.000 2.669 17 S HA 0.433 4.902 4.470 -0.001 0.000 0.266 17 S C -1.021 173.725 174.600 0.244 0.000 1.149 17 S CA -0.880 57.363 58.200 0.072 0.000 0.842 17 S CB 0.633 63.888 63.200 0.091 0.000 1.160 17 S HN 0.016 nan 8.310 nan 0.000 0.487 18 N N -0.688 118.182 118.700 0.284 0.000 6.681 18 N HA -0.163 4.577 4.740 -0.001 0.000 0.407 18 N C -1.137 174.580 175.510 0.346 0.000 0.934 18 N CA 0.767 53.972 53.050 0.258 0.000 1.206 18 N CB -1.108 37.437 38.487 0.097 0.000 0.835 18 N HN 0.900 nan 8.380 nan 0.000 0.310 19 W N 2.703 124.038 121.300 0.058 0.000 2.315 19 W HA 0.624 5.284 4.660 -0.000 0.000 0.316 19 W C -0.449 176.176 176.519 0.177 0.000 1.211 19 W CA -0.347 57.062 57.345 0.106 0.000 1.201 19 W CB 0.403 29.884 29.460 0.035 0.000 1.184 19 W HN 0.549 nan 8.180 nan 0.000 0.544 20 M N 8.435 127.847 119.600 -0.313 0.000 2.326 20 M HA 0.211 4.690 4.480 -0.001 0.000 0.292 20 M C -0.743 175.094 176.300 -0.772 0.000 1.081 20 M CA -0.390 54.812 55.300 -0.164 0.000 0.919 20 M CB 1.498 34.123 32.600 0.041 0.000 1.634 20 M HN 0.630 nan 8.290 nan 0.000 0.451 21 N N 2.042 120.309 118.700 -0.721 0.000 2.426 21 N HA 0.280 5.019 4.740 -0.001 0.000 0.171 21 N C -1.122 173.846 175.510 -0.903 0.000 1.643 21 N CA -0.396 51.621 53.050 -1.722 0.000 1.131 21 N CB -0.441 36.983 38.487 -1.772 0.000 1.641 21 N HN 0.553 nan 8.380 nan 0.000 0.302 22 D N 3.327 123.392 120.400 -0.559 0.000 2.730 22 D HA 0.077 4.716 4.640 -0.001 0.000 0.225 22 D C -2.054 174.134 176.300 -0.186 0.000 1.107 22 D CA 0.077 53.972 54.000 -0.174 0.000 0.837 22 D CB -0.038 40.692 40.800 -0.116 0.000 1.171 22 D HN 0.281 nan 8.370 nan 0.000 0.498 23 P HA 0.125 nan 4.420 nan 0.000 0.279 23 P C -0.865 176.164 177.300 -0.451 0.000 1.239 23 P CA -0.346 62.608 63.100 -0.244 0.000 0.789 23 P CB 0.904 32.660 31.700 0.094 0.000 0.933 24 N N 0.192 118.410 118.700 -0.804 0.000 2.265 24 N HA 0.428 5.168 4.740 -0.001 0.000 0.300 24 N C 0.297 175.465 175.510 -0.569 0.000 1.148 24 N CA -0.821 51.694 53.050 -0.891 0.000 0.772 24 N CB 1.182 38.513 38.487 -1.927 0.000 1.434 24 N HN 0.530 nan 8.380 nan 0.000 0.481 25 G N 1.383 110.006 108.800 -0.295 0.000 2.467 25 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.302 25 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.302 25 G C -2.434 172.560 174.900 0.156 0.000 0.930 25 G CA -0.420 44.696 45.100 0.026 0.000 1.008 25 G HN 0.357 nan 8.290 nan 0.000 0.512 26 P HA 0.431 nan 4.420 nan 0.000 0.269 26 P C 0.424 177.578 177.300 -0.243 0.000 1.209 26 P CA 0.298 63.336 63.100 -0.104 0.000 0.776 26 P CB 0.754 32.500 31.700 0.077 0.000 0.876 27 M N 0.829 120.143 119.600 -0.477 0.000 3.015 27 M HA 0.537 5.016 4.480 -0.001 0.000 0.272 27 M C -2.233 174.064 176.300 -0.004 0.000 1.085 27 M CA -1.128 54.050 55.300 -0.204 0.000 0.795 27 M CB 1.308 34.015 32.600 0.177 0.000 1.632 27 M HN 0.037 nan 8.290 nan 0.000 0.535 28 L N 2.094 123.458 121.223 0.234 0.000 2.343 28 L HA 0.724 5.064 4.340 -0.001 0.000 0.278 28 L C -2.252 174.776 176.870 0.262 0.000 0.996 28 L CA -0.136 54.797 54.840 0.155 0.000 0.831 28 L CB 1.634 43.742 42.059 0.082 0.000 1.232 28 L HN 0.706 nan 8.230 nan 0.000 0.413 29 Y N 4.558 124.947 120.300 0.148 0.000 2.373 29 Y HA 0.413 4.963 4.550 -0.000 0.000 0.336 29 Y C -0.284 175.696 175.900 0.134 0.000 0.979 29 Y CA -0.555 57.642 58.100 0.160 0.000 1.080 29 Y CB 1.433 40.011 38.460 0.198 0.000 1.190 29 Y HN 0.724 nan 8.280 nan 0.000 0.446 30 Q N 4.263 123.782 119.800 -0.468 0.000 2.435 30 Q HA -0.220 4.119 4.340 -0.001 0.000 0.312 30 Q C 1.093 177.038 176.000 -0.092 0.000 1.333 30 Q CA 1.523 57.126 55.803 -0.333 0.000 0.883 30 Q CB -1.754 26.754 28.738 -0.383 0.000 1.170 30 Q HN 1.462 nan 8.270 nan 0.000 0.443 31 G N -2.284 106.460 108.800 -0.092 0.000 2.168 31 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.263 31 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.263 31 G C 0.156 175.033 174.900 -0.038 0.000 0.977 31 G CA 0.306 45.368 45.100 -0.064 0.000 0.659 31 G HN 0.435 nan 8.290 nan 0.000 0.533 32 V N 0.298 120.176 119.914 -0.059 0.000 2.540 32 V HA 0.581 4.701 4.120 -0.001 0.000 0.302 32 V C -0.298 175.666 176.094 -0.218 0.000 1.035 32 V CA -1.266 60.947 62.300 -0.144 0.000 0.873 32 V CB 1.576 33.361 31.823 -0.064 0.000 0.992 32 V HN 0.205 nan 8.190 nan 0.000 0.428 33 Y N 3.760 123.955 120.300 -0.176 0.000 2.365 33 Y HA 0.418 4.967 4.550 -0.001 0.000 0.340 33 Y C 0.772 176.598 175.900 -0.123 0.000 1.016 33 Y CA -0.133 57.930 58.100 -0.061 0.000 1.196 33 Y CB 0.452 38.870 38.460 -0.070 0.000 1.167 33 Y HN 0.553 nan 8.280 nan 0.000 0.509 34 H N 4.044 123.235 119.070 0.202 0.000 2.457 34 H HA 0.285 4.840 4.556 -0.001 0.000 0.335 34 H C -1.325 173.992 175.328 -0.018 0.000 1.115 34 H CA -0.592 55.517 56.048 0.101 0.000 1.219 34 H CB 1.780 31.656 29.762 0.189 0.000 1.471 34 H HN 0.561 nan 8.280 nan 0.000 0.491 35 F N 3.605 123.345 119.950 -0.350 0.000 2.556 35 F HA 0.428 4.954 4.527 -0.001 0.000 0.314 35 F C -1.819 173.501 175.800 -0.800 0.000 1.106 35 F CA -0.938 56.640 58.000 -0.703 0.000 0.911 35 F CB 0.925 39.168 39.000 -1.262 0.000 1.190 35 F HN 0.306 nan 8.300 nan 0.000 0.448 36 F N 4.497 123.687 119.950 -1.267 0.000 2.611 36 F HA 0.714 5.240 4.527 -0.001 0.000 0.324 36 F C -1.123 173.884 175.800 -1.322 0.000 1.061 36 F CA -1.028 56.390 58.000 -0.970 0.000 0.954 36 F CB 1.993 40.551 39.000 -0.736 0.000 1.301 36 F HN 0.443 nan 8.300 nan 0.000 0.482 37 Y N -1.660 118.157 120.300 -0.805 0.000 2.573 37 Y HA 0.393 4.942 4.550 -0.001 0.000 0.328 37 Y C -1.420 174.235 175.900 -0.409 0.000 1.170 37 Y CA -1.712 55.973 58.100 -0.692 0.000 1.078 37 Y CB 0.491 38.664 38.460 -0.478 0.000 1.341 37 Y HN 0.422 nan 8.280 nan 0.000 0.459 38 Q N 2.682 122.339 119.800 -0.237 0.000 2.255 38 Q HA 0.103 4.443 4.340 -0.001 0.000 0.280 38 Q C -1.481 174.650 176.000 0.218 0.000 1.068 38 Q CA 0.659 56.439 55.803 -0.039 0.000 0.911 38 Q CB 0.752 29.511 28.738 0.035 0.000 1.157 38 Q HN 0.891 nan 8.270 nan 0.000 0.380 39 Y N 2.685 123.007 120.300 0.037 0.000 2.492 39 Y HA 0.312 4.862 4.550 -0.001 0.000 0.346 39 Y C -0.807 175.138 175.900 0.075 0.000 0.997 39 Y CA -1.077 57.097 58.100 0.124 0.000 1.025 39 Y CB 1.735 40.188 38.460 -0.012 0.000 1.263 39 Y HN 0.507 nan 8.280 nan 0.000 0.454 40 N N 6.681 125.093 118.700 -0.481 0.000 2.476 40 N HA 0.370 5.110 4.740 -0.001 0.000 0.257 40 N C -2.542 172.334 175.510 -1.056 0.000 0.970 40 N CA -2.667 50.043 53.050 -0.566 0.000 0.938 40 N CB 2.009 40.298 38.487 -0.331 0.000 1.144 40 N HN 0.396 nan 8.380 nan 0.000 0.500 41 P HA 0.063 nan 4.420 nan 0.000 0.233 41 P C -0.014 176.849 177.300 -0.728 0.000 1.167 41 P CA 0.957 63.504 63.100 -0.922 0.000 0.770 41 P CB 0.012 31.203 31.700 -0.848 0.000 0.837 42 Y N -1.476 118.705 120.300 -0.198 0.000 2.444 42 Y HA 0.588 5.138 4.550 -0.001 0.000 0.249 42 Y C 1.085 176.929 175.900 -0.094 0.000 1.134 42 Y CA -0.544 57.485 58.100 -0.118 0.000 1.261 42 Y CB 0.585 38.978 38.460 -0.111 0.000 1.143 42 Y HN -0.131 nan 8.280 nan 0.000 0.523 43 A N -0.094 122.718 122.820 -0.012 0.000 2.564 43 A HA 0.748 5.068 4.320 -0.001 0.000 0.291 43 A C -0.748 176.878 177.584 0.070 0.000 1.102 43 A CA -0.285 51.765 52.037 0.022 0.000 0.660 43 A CB 0.052 19.052 19.000 0.000 0.000 1.283 43 A HN 0.047 nan 8.150 nan 0.000 0.430 44 A N 0.284 123.178 122.820 0.123 0.000 2.640 44 A HA 0.569 4.889 4.320 -0.001 0.000 0.282 44 A C 0.639 178.429 177.584 0.344 0.000 1.357 44 A CA 1.029 53.210 52.037 0.239 0.000 0.946 44 A CB -1.093 17.999 19.000 0.152 0.000 1.065 44 A HN 2.048 nan 8.150 nan 0.000 0.541 45 T N -4.820 109.838 114.554 0.174 0.000 2.841 45 T HA 0.597 4.947 4.350 -0.001 0.000 0.296 45 T C -0.450 173.790 174.700 -0.766 0.000 1.166 45 T CA -0.736 61.297 62.100 -0.111 0.000 1.007 45 T CB 0.729 69.534 68.868 -0.106 0.000 1.253 45 T HN 0.151 nan 8.240 nan 0.000 0.511 46 F N 0.728 119.751 119.950 -1.545 0.000 2.490 46 F HA 0.591 5.118 4.527 -0.001 0.000 0.336 46 F C 0.846 176.308 175.800 -0.564 0.000 1.178 46 F CA 1.156 58.353 58.000 -1.339 0.000 1.301 46 F CB 0.339 38.748 39.000 -0.985 0.000 1.175 46 F HN 1.056 nan 8.300 nan 0.000 0.593 47 G N 2.199 110.431 108.800 -0.947 0.000 2.687 47 G HA2 0.191 4.150 3.960 -0.001 0.000 0.291 47 G HA3 0.191 4.150 3.960 -0.001 0.000 0.291 47 G C -0.656 174.004 174.900 -0.399 0.000 1.420 47 G CA -0.560 44.263 45.100 -0.461 0.000 0.796 47 G HN 0.443 nan 8.290 nan 0.000 0.485 48 D N -0.951 119.361 120.400 -0.146 0.000 2.312 48 D HA -0.012 4.628 4.640 -0.001 0.000 0.211 48 D C 0.851 177.127 176.300 -0.040 0.000 0.964 48 D CA 1.029 55.007 54.000 -0.037 0.000 0.877 48 D CB 0.578 41.372 40.800 -0.012 0.000 0.924 48 D HN 0.051 nan 8.370 nan 0.000 0.515 49 V N 2.817 122.690 119.914 -0.068 0.000 2.326 49 V HA 0.215 4.335 4.120 -0.001 0.000 0.281 49 V C -0.240 175.801 176.094 -0.090 0.000 1.015 49 V CA -0.592 61.696 62.300 -0.020 0.000 0.823 49 V CB 1.956 33.858 31.823 0.133 0.000 1.009 49 V HN -0.087 nan 8.190 nan 0.000 0.436 50 I N 6.567 127.094 120.570 -0.072 0.000 2.433 50 I HA 0.605 4.774 4.170 -0.001 0.000 0.292 50 I C -0.041 176.107 176.117 0.050 0.000 1.001 50 I CA -0.395 60.890 61.300 -0.025 0.000 1.119 50 I CB 1.881 39.961 38.000 0.133 0.000 1.289 50 I HN 0.619 nan 8.210 nan 0.000 0.438 51 I N 0.289 120.911 120.570 0.086 0.000 3.145 51 I HA 0.560 4.730 4.170 -0.001 0.000 0.313 51 I C -1.518 174.711 176.117 0.187 0.000 1.122 51 I CA -0.910 60.473 61.300 0.138 0.000 0.987 51 I CB 2.403 40.472 38.000 0.115 0.000 1.236 51 I HN 0.286 nan 8.210 nan 0.000 0.453 52 W N 2.774 123.945 121.300 -0.215 0.000 2.481 52 W HA 0.604 5.263 4.660 -0.001 0.000 0.320 52 W C 0.803 177.088 176.519 -0.391 0.000 1.209 52 W CA -0.171 56.969 57.345 -0.341 0.000 1.400 52 W CB 0.710 29.887 29.460 -0.473 0.000 1.361 52 W HN 0.668 nan 8.180 nan 0.000 0.456 53 G N 2.005 110.387 108.800 -0.696 0.000 2.606 53 G HA2 0.305 4.265 3.960 -0.001 0.000 0.252 53 G HA3 0.305 4.265 3.960 -0.001 0.000 0.252 53 G C -1.429 173.157 174.900 -0.522 0.000 1.206 53 G CA -0.108 44.379 45.100 -1.022 0.000 0.861 53 G HN 0.490 nan 8.290 nan 0.000 0.561 54 H N -0.941 117.985 119.070 -0.240 0.000 2.947 54 H HA 0.664 5.219 4.556 -0.001 0.000 0.354 54 H C -0.747 174.596 175.328 0.024 0.000 1.085 54 H CA -0.026 55.932 56.048 -0.151 0.000 1.253 54 H CB 1.485 31.267 29.762 0.033 0.000 1.757 54 H HN 0.789 nan 8.280 nan 0.000 0.523 55 A N 3.603 126.328 122.820 -0.159 0.000 2.572 55 A HA 0.726 5.045 4.320 -0.001 0.000 0.295 55 A C -1.184 176.317 177.584 -0.139 0.000 1.072 55 A CA -0.091 51.900 52.037 -0.078 0.000 0.691 55 A CB 1.144 20.322 19.000 0.297 0.000 1.291 55 A HN 0.898 nan 8.150 nan 0.000 0.404 56 V N -1.410 118.390 119.914 -0.190 0.000 3.001 56 V HA 1.001 5.120 4.120 -0.001 0.000 0.314 56 V C -0.192 175.599 176.094 -0.504 0.000 1.099 56 V CA -0.327 61.735 62.300 -0.398 0.000 0.989 56 V CB 1.451 32.692 31.823 -0.970 0.000 1.040 56 V HN 1.673 nan 8.190 nan 0.000 0.434 57 S N 0.304 115.533 115.700 -0.785 0.000 2.565 57 S HA 0.678 5.147 4.470 -0.001 0.000 0.269 57 S C -0.935 173.285 174.600 -0.634 0.000 1.153 57 S CA -0.390 57.206 58.200 -1.008 0.000 0.835 57 S CB 1.727 63.752 63.200 -1.958 0.000 1.122 57 S HN 0.717 nan 8.310 nan 0.000 0.462 58 Y N 1.253 121.406 120.300 -0.245 0.000 2.458 58 Y HA 0.234 4.784 4.550 -0.001 0.000 0.254 58 Y C 1.149 177.074 175.900 0.042 0.000 1.120 58 Y CA 0.278 58.354 58.100 -0.040 0.000 1.282 58 Y CB 0.418 38.836 38.460 -0.070 0.000 1.109 58 Y HN 0.755 nan 8.280 nan 0.000 0.526 59 D N -2.523 117.834 120.400 -0.072 0.000 2.516 59 D HA 0.126 4.765 4.640 -0.001 0.000 0.241 59 D C 0.750 176.792 176.300 -0.429 0.000 1.246 59 D CA -0.006 53.893 54.000 -0.169 0.000 0.808 59 D CB -0.382 40.341 40.800 -0.128 0.000 1.147 59 D HN 0.147 nan 8.370 nan 0.000 0.527 60 L N -0.538 120.266 121.223 -0.698 0.000 4.884 60 L HA -0.284 4.056 4.340 -0.001 0.000 0.430 60 L C 0.622 177.307 176.870 -0.309 0.000 1.087 60 L CA 0.560 55.038 54.840 -0.602 0.000 1.033 60 L CB -1.470 40.227 42.059 -0.603 0.000 2.030 60 L HN 0.168 nan 8.230 nan 0.000 0.762 61 V N -2.328 117.361 119.914 -0.375 0.000 2.948 61 V HA 0.190 4.310 4.120 -0.001 0.000 0.234 61 V C 1.007 176.957 176.094 -0.240 0.000 1.205 61 V CA 0.827 63.088 62.300 -0.065 0.000 1.234 61 V CB 0.229 32.044 31.823 -0.014 0.000 1.020 61 V HN 0.312 nan 8.190 nan 0.000 0.491 62 N N 0.239 118.649 118.700 -0.482 0.000 2.426 62 N HA 0.295 5.035 4.740 -0.001 0.000 0.275 62 N C -1.525 173.534 175.510 -0.751 0.000 1.019 62 N CA -0.108 52.631 53.050 -0.519 0.000 0.941 62 N CB 1.391 39.691 38.487 -0.311 0.000 1.123 62 N HN 0.299 nan 8.380 nan 0.000 0.486 63 W N 1.469 122.423 121.300 -0.576 0.000 2.719 63 W HA 0.601 5.260 4.660 -0.000 0.000 0.352 63 W C 0.069 176.364 176.519 -0.373 0.000 1.085 63 W CA -0.608 56.497 57.345 -0.399 0.000 1.187 63 W CB 1.190 30.539 29.460 -0.185 0.000 1.417 63 W HN 0.159 nan 8.180 nan 0.000 0.557 64 I N 2.941 123.451 120.570 -0.100 0.000 2.410 64 I HA 0.159 4.328 4.170 -0.001 0.000 0.286 64 I C -0.370 175.674 176.117 -0.122 0.000 1.009 64 I CA -1.097 60.111 61.300 -0.152 0.000 1.111 64 I CB 0.903 38.745 38.000 -0.263 0.000 1.262 64 I HN 0.264 nan 8.210 nan 0.000 0.443 65 H N 6.971 126.100 119.070 0.099 0.000 2.767 65 H HA 0.447 5.003 4.556 -0.000 0.000 0.316 65 H C -0.157 175.181 175.328 0.017 0.000 1.059 65 H CA 0.172 56.269 56.048 0.081 0.000 1.461 65 H CB 1.265 31.070 29.762 0.071 0.000 1.475 65 H HN 0.414 nan 8.280 nan 0.000 0.531 66 L N 1.617 122.903 121.223 0.105 0.000 2.391 66 L HA 0.325 4.664 4.340 -0.001 0.000 0.266 66 L C 0.563 177.505 176.870 0.119 0.000 1.035 66 L CA -1.103 53.785 54.840 0.079 0.000 0.877 66 L CB 0.871 42.920 42.059 -0.015 0.000 1.504 66 L HN 0.449 nan 8.230 nan 0.000 0.503 67 D N 0.761 121.251 120.400 0.151 0.000 2.313 67 D HA 0.231 4.871 4.640 -0.001 0.000 0.247 67 D C -2.292 174.116 176.300 0.180 0.000 1.094 67 D CA -0.938 53.140 54.000 0.129 0.000 0.925 67 D CB 0.787 41.662 40.800 0.125 0.000 1.188 67 D HN 0.204 nan 8.370 nan 0.000 0.430 68 P HA -0.018 nan 4.420 nan 0.000 0.264 68 P C -0.300 177.163 177.300 0.273 0.000 1.183 68 P CA 0.010 63.202 63.100 0.153 0.000 0.763 68 P CB 0.828 32.600 31.700 0.119 0.000 0.807 69 A N 4.470 127.389 122.820 0.164 0.000 1.887 69 A HA 0.134 4.453 4.320 -0.001 0.000 0.212 69 A C 1.154 178.507 177.584 -0.385 0.000 1.198 69 A CA 0.818 52.830 52.037 -0.042 0.000 0.628 69 A CB -0.229 18.543 19.000 -0.379 0.000 0.847 69 A HN 0.556 nan 8.150 nan 0.000 0.449 70 I N 0.818 121.071 120.570 -0.528 0.000 2.418 70 I HA 0.471 4.641 4.170 -0.001 0.000 0.287 70 I C -1.353 174.440 176.117 -0.539 0.000 1.008 70 I CA -0.866 59.896 61.300 -0.896 0.000 1.104 70 I CB 1.570 38.594 38.000 -1.628 0.000 1.264 70 I HN 0.447 nan 8.210 nan 0.000 0.438 71 Y N 5.252 125.344 120.300 -0.347 0.000 2.544 71 Y HA 0.600 5.149 4.550 -0.001 0.000 0.342 71 Y C -2.946 172.842 175.900 -0.186 0.000 1.062 71 Y CA -3.589 54.383 58.100 -0.214 0.000 1.023 71 Y CB 0.539 38.928 38.460 -0.117 0.000 1.308 71 Y HN 0.290 nan 8.280 nan 0.000 0.457 72 P HA -0.049 nan 4.420 nan 0.000 0.257 72 P C 0.401 177.722 177.300 0.035 0.000 1.162 72 P CA 0.971 64.056 63.100 -0.025 0.000 0.762 72 P CB 0.876 32.563 31.700 -0.022 0.000 0.753 73 T N -0.757 113.770 114.554 -0.044 0.000 3.028 73 T HA 0.088 4.438 4.350 -0.001 0.000 0.262 73 T C 0.431 175.107 174.700 -0.040 0.000 0.916 73 T CA -0.231 61.855 62.100 -0.022 0.000 0.873 73 T CB 0.156 68.978 68.868 -0.076 0.000 1.232 73 T HN 0.554 nan 8.240 nan 0.000 0.529 74 Q N -0.022 119.745 119.800 -0.054 0.000 2.528 74 Q HA 0.549 4.888 4.340 -0.001 0.000 0.289 74 Q C 0.495 176.467 176.000 -0.047 0.000 1.091 74 Q CA -0.936 54.838 55.803 -0.048 0.000 0.797 74 Q CB 1.554 30.260 28.738 -0.053 0.000 1.466 74 Q HN -0.119 nan 8.270 nan 0.000 0.436 75 E N 1.093 121.268 120.200 -0.041 0.000 2.130 75 E HA -0.219 4.131 4.350 -0.001 0.000 0.196 75 E C 1.449 178.017 176.600 -0.054 0.000 0.998 75 E CA 1.843 58.218 56.400 -0.041 0.000 0.806 75 E CB -0.179 29.502 29.700 -0.031 0.000 0.738 75 E HN 0.751 nan 8.360 nan 0.000 0.459 76 A N 1.220 124.005 122.820 -0.059 0.000 2.225 76 A HA -0.144 4.176 4.320 -0.001 0.000 0.215 76 A C 0.817 178.338 177.584 -0.105 0.000 1.164 76 A CA 1.666 53.655 52.037 -0.080 0.000 0.710 76 A CB -0.116 18.831 19.000 -0.088 0.000 0.780 76 A HN 0.391 nan 8.150 nan 0.000 0.473 77 D N -2.587 117.758 120.400 -0.092 0.000 2.848 77 D HA -0.026 4.613 4.640 -0.001 0.000 0.303 77 D C 0.833 177.062 176.300 -0.117 0.000 1.665 77 D CA 0.634 54.568 54.000 -0.109 0.000 0.807 77 D CB -1.065 39.724 40.800 -0.018 0.000 1.288 77 D HN 0.214 nan 8.370 nan 0.000 0.441 78 S N 0.577 116.219 115.700 -0.097 0.000 2.419 78 S HA -0.151 4.319 4.470 -0.001 0.000 0.233 78 S C 1.605 176.149 174.600 -0.092 0.000 1.016 78 S CA 0.696 58.851 58.200 -0.076 0.000 0.974 78 S CB -0.202 62.965 63.200 -0.055 0.000 0.786 78 S HN 0.235 nan 8.310 nan 0.000 0.492 79 K N 0.324 120.641 120.400 -0.139 0.000 2.356 79 K HA 0.352 4.672 4.320 -0.001 0.000 0.195 79 K C -0.194 176.265 176.600 -0.234 0.000 1.037 79 K CA 0.164 56.361 56.287 -0.150 0.000 1.014 79 K CB 0.358 32.782 32.500 -0.128 0.000 0.815 79 K HN 0.245 nan 8.250 nan 0.000 0.507 80 S N -1.241 114.245 115.700 -0.357 0.000 2.735 80 S HA 0.106 4.576 4.470 -0.001 0.000 0.279 80 S C -1.759 172.523 174.600 -0.530 0.000 0.989 80 S CA -0.962 56.952 58.200 -0.477 0.000 0.883 80 S CB 0.905 63.652 63.200 -0.755 0.000 1.117 80 S HN 0.149 nan 8.310 nan 0.000 0.458 81 C N 3.681 122.781 119.300 -0.332 0.000 2.301 81 C HA 0.552 5.012 4.460 -0.001 0.000 0.313 81 C C 0.162 175.258 174.990 0.177 0.000 1.121 81 C CA -0.869 58.069 59.018 -0.133 0.000 1.507 81 C CB -1.081 26.488 27.740 -0.285 0.000 1.975 81 C HN 0.689 nan 8.230 nan 0.000 0.425 82 W N 1.261 122.748 121.300 0.311 0.000 2.030 82 W HA 0.371 5.030 4.660 -0.001 0.000 0.412 82 W C 0.806 177.567 176.519 0.403 0.000 1.715 82 W CA -0.877 56.647 57.345 0.299 0.000 1.895 82 W CB -0.276 29.314 29.460 0.217 0.000 1.381 82 W HN 0.432 nan 8.180 nan 0.000 0.717 83 S N 0.200 116.177 115.700 0.462 0.000 2.554 83 S HA 0.381 4.851 4.470 -0.001 0.000 0.290 83 S C 0.339 175.156 174.600 0.363 0.000 1.309 83 S CA 0.681 59.020 58.200 0.232 0.000 1.047 83 S CB 0.182 63.435 63.200 0.089 0.000 0.828 83 S HN 0.654 nan 8.310 nan 0.000 0.509 84 G N 0.724 109.718 108.800 0.322 0.000 2.548 84 G HA2 0.603 4.563 3.960 -0.001 0.000 0.301 84 G HA3 0.603 4.563 3.960 -0.001 0.000 0.301 84 G C -1.546 173.510 174.900 0.259 0.000 1.349 84 G CA -0.657 44.681 45.100 0.396 0.000 0.792 84 G HN 0.682 nan 8.290 nan 0.000 0.481 85 S N -1.428 114.422 115.700 0.250 0.000 2.632 85 S HA 0.864 5.333 4.470 -0.001 0.000 0.289 85 S C -0.250 174.470 174.600 0.201 0.000 1.115 85 S CA -0.123 58.199 58.200 0.203 0.000 0.889 85 S CB 1.805 65.129 63.200 0.206 0.000 1.116 85 S HN 1.549 nan 8.310 nan 0.000 0.486 86 A N 1.119 124.055 122.820 0.194 0.000 2.324 86 A HA 0.805 5.124 4.320 -0.001 0.000 0.330 86 A C -0.535 177.176 177.584 0.211 0.000 1.165 86 A CA -0.576 51.567 52.037 0.177 0.000 0.813 86 A CB 0.718 19.819 19.000 0.168 0.000 1.197 86 A HN 0.609 nan 8.150 nan 0.000 0.484 87 T N 2.723 117.367 114.554 0.150 0.000 2.937 87 T HA 0.423 4.773 4.350 -0.001 0.000 0.297 87 T C -0.481 174.201 174.700 -0.030 0.000 0.991 87 T CA -0.043 62.117 62.100 0.100 0.000 0.990 87 T CB 0.629 69.515 68.868 0.030 0.000 0.991 87 T HN 0.467 nan 8.240 nan 0.000 0.440 88 I N 4.513 125.134 120.570 0.085 0.000 2.301 88 I HA 0.281 4.451 4.170 -0.001 0.000 0.292 88 I C 0.161 176.311 176.117 0.056 0.000 1.046 88 I CA -0.572 60.773 61.300 0.074 0.000 1.282 88 I CB 0.485 38.617 38.000 0.220 0.000 1.409 88 I HN 0.367 nan 8.210 nan 0.000 0.484 89 L N 7.786 128.953 121.223 -0.093 0.000 2.439 89 L HA 0.409 4.749 4.340 -0.001 0.000 0.261 89 L C -2.142 174.790 176.870 0.103 0.000 1.153 89 L CA -1.965 52.856 54.840 -0.031 0.000 0.808 89 L CB -0.077 41.815 42.059 -0.279 0.000 1.126 89 L HN 0.255 nan 8.230 nan 0.000 0.460 90 P HA 0.014 nan 4.420 nan 0.000 0.265 90 P C 0.665 178.015 177.300 0.084 0.000 1.187 90 P CA 0.908 64.094 63.100 0.144 0.000 0.766 90 P CB 0.557 32.346 31.700 0.149 0.000 0.820 91 G N 2.337 111.183 108.800 0.077 0.000 2.176 91 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.232 91 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.232 91 G C 0.507 175.451 174.900 0.073 0.000 0.986 91 G CA 0.090 45.222 45.100 0.053 0.000 0.643 91 G HN 0.673 nan 8.290 nan 0.000 0.522 92 N N -1.525 117.242 118.700 0.112 0.000 2.746 92 N HA -0.176 4.564 4.740 -0.001 0.000 0.250 92 N C -0.375 175.265 175.510 0.216 0.000 1.055 92 N CA 1.305 54.477 53.050 0.202 0.000 0.699 92 N CB -1.141 37.455 38.487 0.181 0.000 0.919 92 N HN 1.550 nan 8.380 nan 0.000 0.548 93 I N 0.897 121.504 120.570 0.061 0.000 2.411 93 I HA 0.509 4.678 4.170 -0.001 0.000 0.284 93 I C -2.368 173.657 176.117 -0.154 0.000 1.012 93 I CA -2.394 58.859 61.300 -0.077 0.000 1.119 93 I CB 1.437 39.349 38.000 -0.148 0.000 1.261 93 I HN -0.014 nan 8.210 nan 0.000 0.448 94 P HA 0.265 nan 4.420 nan 0.000 0.276 94 P C -1.074 176.211 177.300 -0.024 0.000 1.253 94 P CA -0.219 62.775 63.100 -0.176 0.000 0.766 94 P CB 1.001 32.501 31.700 -0.334 0.000 0.845 95 A N 4.759 127.557 122.820 -0.037 0.000 2.288 95 A HA 0.657 4.977 4.320 -0.001 0.000 0.320 95 A C -0.323 177.371 177.584 0.183 0.000 1.217 95 A CA -0.687 51.391 52.037 0.068 0.000 0.840 95 A CB 0.556 19.419 19.000 -0.228 0.000 1.179 95 A HN 0.513 nan 8.150 nan 0.000 0.504 96 M N 3.076 122.819 119.600 0.239 0.000 2.167 96 M HA 0.538 5.018 4.480 -0.001 0.000 0.333 96 M C -1.438 174.932 176.300 0.117 0.000 1.030 96 M CA -0.271 55.080 55.300 0.084 0.000 0.963 96 M CB 0.794 33.242 32.600 -0.254 0.000 1.589 96 M HN 0.571 nan 8.290 nan 0.000 0.431 97 L N 6.867 128.154 121.223 0.107 0.000 2.313 97 L HA 0.623 4.962 4.340 -0.001 0.000 0.283 97 L C -1.232 175.671 176.870 0.055 0.000 1.013 97 L CA -0.866 53.967 54.840 -0.012 0.000 0.816 97 L CB 0.907 42.886 42.059 -0.133 0.000 1.236 97 L HN 0.784 nan 8.230 nan 0.000 0.419 98 Y N 0.086 120.288 120.300 -0.163 0.000 2.615 98 Y HA 0.603 5.152 4.550 -0.001 0.000 0.341 98 Y C -0.605 175.247 175.900 -0.080 0.000 1.089 98 Y CA -1.161 56.903 58.100 -0.060 0.000 1.049 98 Y CB 1.370 39.723 38.460 -0.179 0.000 1.296 98 Y HN 0.256 nan 8.280 nan 0.000 0.470 99 T N 2.183 116.813 114.554 0.126 0.000 2.743 99 T HA 0.592 4.942 4.350 -0.001 0.000 0.293 99 T C 0.191 174.954 174.700 0.105 0.000 0.945 99 T CA -0.080 62.045 62.100 0.042 0.000 1.030 99 T CB 0.640 69.629 68.868 0.202 0.000 0.912 99 T HN 1.000 nan 8.240 nan 0.000 0.483 100 G N 1.050 109.781 108.800 -0.114 0.000 2.441 100 G HA2 0.523 4.483 3.960 -0.001 0.000 0.334 100 G HA3 0.523 4.483 3.960 -0.001 0.000 0.334 100 G C -0.764 173.997 174.900 -0.232 0.000 1.161 100 G CA -0.596 44.412 45.100 -0.152 0.000 0.935 100 G HN 0.599 nan 8.290 nan 0.000 0.488 101 S N 0.405 115.840 115.700 -0.441 0.000 2.461 101 S HA 0.381 4.850 4.470 -0.001 0.000 0.322 101 S C 0.005 174.478 174.600 -0.213 0.000 1.063 101 S CA -0.872 57.089 58.200 -0.398 0.000 1.120 101 S CB 0.090 62.804 63.200 -0.811 0.000 0.968 101 S HN 0.731 nan 8.310 nan 0.000 0.467 102 D N 3.125 123.461 120.400 -0.107 0.000 2.414 102 D HA 0.141 4.780 4.640 -0.001 0.000 0.259 102 D C 1.515 177.783 176.300 -0.053 0.000 1.269 102 D CA -0.075 53.879 54.000 -0.076 0.000 1.028 102 D CB 0.052 40.823 40.800 -0.049 0.000 1.093 102 D HN 0.380 nan 8.370 nan 0.000 0.545 103 S N -0.795 114.881 115.700 -0.040 0.000 2.419 103 S HA -0.224 4.245 4.470 -0.001 0.000 0.235 103 S C 1.244 175.837 174.600 -0.012 0.000 1.019 103 S CA 0.847 59.031 58.200 -0.027 0.000 0.982 103 S CB -0.540 62.646 63.200 -0.023 0.000 0.789 103 S HN 0.538 nan 8.310 nan 0.000 0.490 104 K N 0.958 121.355 120.400 -0.006 0.000 2.469 104 K HA 0.317 4.636 4.320 -0.001 0.000 0.201 104 K C 0.106 176.720 176.600 0.023 0.000 1.028 104 K CA 0.235 56.526 56.287 0.007 0.000 1.170 104 K CB 0.031 32.535 32.500 0.006 0.000 0.874 104 K HN 0.253 nan 8.250 nan 0.000 0.507 105 S N 1.238 116.952 115.700 0.023 0.000 3.521 105 S HA -0.188 4.282 4.470 -0.001 0.000 0.328 105 S C -0.193 174.464 174.600 0.095 0.000 1.165 105 S CA 0.983 59.218 58.200 0.058 0.000 0.941 105 S CB -1.103 62.144 63.200 0.078 0.000 0.951 105 S HN 0.590 nan 8.310 nan 0.000 0.539 106 R N 0.516 121.059 120.500 0.070 0.000 2.604 106 R HA 0.613 4.952 4.340 -0.001 0.000 0.287 106 R C -0.513 175.862 176.300 0.125 0.000 0.970 106 R CA -1.036 55.127 56.100 0.105 0.000 0.946 106 R CB 0.813 31.154 30.300 0.068 0.000 1.127 106 R HN 0.231 nan 8.270 nan 0.000 0.473 107 Q N 1.887 121.813 119.800 0.211 0.000 2.296 107 Q HA 0.283 4.622 4.340 -0.001 0.000 0.263 107 Q C -0.109 176.006 176.000 0.192 0.000 1.026 107 Q CA -0.580 55.369 55.803 0.244 0.000 0.912 107 Q CB 1.369 30.311 28.738 0.340 0.000 1.198 107 Q HN 0.570 nan 8.270 nan 0.000 0.407 108 V N -0.503 119.453 119.914 0.069 0.000 2.962 108 V HA 0.436 4.556 4.120 -0.001 0.000 0.313 108 V C -1.016 174.989 176.094 -0.149 0.000 1.099 108 V CA -1.279 61.029 62.300 0.014 0.000 0.971 108 V CB 2.317 34.125 31.823 -0.025 0.000 1.028 108 V HN 0.523 nan 8.190 nan 0.000 0.430 109 Q N 2.165 121.835 119.800 -0.216 0.000 2.296 109 Q HA 0.563 4.902 4.340 -0.001 0.000 0.257 109 Q C -1.111 174.631 176.000 -0.430 0.000 0.942 109 Q CA -0.084 55.488 55.803 -0.385 0.000 0.939 109 Q CB 1.229 29.678 28.738 -0.483 0.000 1.198 109 Q HN 0.848 nan 8.270 nan 0.000 0.429 110 D N 1.505 121.509 120.400 -0.661 0.000 2.299 110 D HA 0.496 5.135 4.640 -0.001 0.000 0.243 110 D C -0.410 175.562 176.300 -0.547 0.000 0.982 110 D CA -0.587 53.005 54.000 -0.679 0.000 0.924 110 D CB 2.078 42.279 40.800 -0.998 0.000 1.238 110 D HN 0.264 nan 8.370 nan 0.000 0.484 111 L N 0.495 121.608 121.223 -0.183 0.000 2.346 111 L HA 0.761 5.101 4.340 -0.001 0.000 0.274 111 L C -1.211 175.798 176.870 0.232 0.000 1.007 111 L CA -0.442 54.450 54.840 0.087 0.000 0.818 111 L CB 1.491 43.672 42.059 0.203 0.000 1.284 111 L HN 0.572 nan 8.230 nan 0.000 0.424 112 A N 3.443 126.443 122.820 0.300 0.000 2.594 112 A HA 0.777 5.097 4.320 -0.001 0.000 0.295 112 A C -2.220 175.641 177.584 0.462 0.000 1.071 112 A CA -0.460 51.698 52.037 0.202 0.000 0.685 112 A CB 1.392 20.380 19.000 -0.020 0.000 1.285 112 A HN 0.837 nan 8.150 nan 0.000 0.405 113 W N 0.189 121.613 121.300 0.205 0.000 3.137 113 W HA 0.755 5.415 4.660 -0.001 0.000 0.324 113 W C -3.163 173.156 176.519 -0.334 0.000 1.253 113 W CA -2.353 55.020 57.345 0.046 0.000 1.183 113 W CB 0.665 30.091 29.460 -0.057 0.000 1.424 113 W HN 0.503 nan 8.180 nan 0.000 0.566 114 P HA -0.027 nan 4.420 nan 0.000 0.266 114 P C -0.043 176.965 177.300 -0.487 0.000 1.195 114 P CA 0.368 62.807 63.100 -1.102 0.000 0.768 114 P CB 1.670 32.711 31.700 -1.098 0.000 0.838 115 K N 1.740 121.876 120.400 -0.441 0.000 2.379 115 K HA 0.012 4.332 4.320 -0.001 0.000 0.194 115 K C 0.273 176.798 176.600 -0.125 0.000 1.031 115 K CA 0.276 56.417 56.287 -0.244 0.000 1.037 115 K CB 0.161 32.528 32.500 -0.222 0.000 0.824 115 K HN 0.313 nan 8.250 nan 0.000 0.516 116 N N 0.792 119.407 118.700 -0.142 0.000 2.710 116 N HA 0.090 4.829 4.740 -0.001 0.000 0.244 116 N C -0.028 175.456 175.510 -0.043 0.000 1.321 116 N CA -0.175 52.837 53.050 -0.062 0.000 0.758 116 N CB 0.512 38.975 38.487 -0.041 0.000 1.284 116 N HN -0.007 nan 8.380 nan 0.000 0.530 117 L N 0.355 121.572 121.223 -0.010 0.000 2.549 117 L HA -0.019 4.320 4.340 -0.001 0.000 0.230 117 L C 1.407 178.334 176.870 0.096 0.000 1.162 117 L CA 0.618 55.493 54.840 0.058 0.000 0.834 117 L CB -0.148 41.969 42.059 0.096 0.000 0.947 117 L HN 0.379 nan 8.230 nan 0.000 0.452 118 S N -1.409 114.322 115.700 0.051 0.000 2.470 118 S HA -0.068 4.402 4.470 -0.001 0.000 0.225 118 S C 0.707 175.330 174.600 0.039 0.000 1.006 118 S CA 0.175 58.399 58.200 0.040 0.000 0.934 118 S CB -0.190 63.021 63.200 0.018 0.000 0.778 118 S HN 0.361 nan 8.310 nan 0.000 0.517 119 D N 1.850 122.280 120.400 0.050 0.000 2.336 119 D HA 0.186 4.825 4.640 -0.001 0.000 0.249 119 D C -1.898 174.482 176.300 0.133 0.000 1.213 119 D CA -2.285 51.747 54.000 0.054 0.000 0.870 119 D CB 1.261 42.103 40.800 0.070 0.000 1.076 119 D HN -0.024 nan 8.370 nan 0.000 0.483 120 P HA -0.099 nan 4.420 nan 0.000 0.219 120 P C 0.687 178.295 177.300 0.513 0.000 1.146 120 P CA 0.838 64.048 63.100 0.185 0.000 0.808 120 P CB 0.075 31.759 31.700 -0.026 0.000 0.779 121 F N -1.750 118.328 119.950 0.213 0.000 2.727 121 F HA 0.250 4.777 4.527 -0.001 0.000 0.302 121 F C 1.056 177.181 175.800 0.540 0.000 1.097 121 F CA -0.973 57.189 58.000 0.271 0.000 1.330 121 F CB -1.145 37.927 39.000 0.119 0.000 1.084 121 F HN -0.252 nan 8.300 nan 0.000 0.578 122 L N 0.772 122.322 121.223 0.546 0.000 3.895 122 L HA -0.355 3.985 4.340 -0.001 0.000 0.511 122 L C 1.376 178.541 176.870 0.491 0.000 1.222 122 L CA 0.092 55.116 54.840 0.307 0.000 0.739 122 L CB -1.182 40.965 42.059 0.146 0.000 1.425 122 L HN 0.262 nan 8.230 nan 0.000 0.817 123 R N 0.013 120.755 120.500 0.404 0.000 2.075 123 R HA 0.032 4.371 4.340 -0.001 0.000 0.226 123 R C 0.533 177.078 176.300 0.408 0.000 1.114 123 R CA 0.661 57.046 56.100 0.475 0.000 0.972 123 R CB 0.090 30.594 30.300 0.339 0.000 0.869 123 R HN 0.395 nan 8.270 nan 0.000 0.437 124 E N 0.252 120.548 120.200 0.160 0.000 2.227 124 E HA 0.105 4.455 4.350 -0.001 0.000 0.282 124 E C -1.029 175.479 176.600 -0.154 0.000 1.015 124 E CA -0.085 56.368 56.400 0.088 0.000 0.823 124 E CB 0.940 30.649 29.700 0.015 0.000 1.081 124 E HN 0.031 nan 8.360 nan 0.000 0.396 125 W N 1.420 122.612 121.300 -0.181 0.000 2.761 125 W HA 0.471 5.131 4.660 -0.001 0.000 0.340 125 W C -0.300 175.970 176.519 -0.415 0.000 1.072 125 W CA -0.777 56.377 57.345 -0.319 0.000 1.215 125 W CB 1.377 30.602 29.460 -0.392 0.000 1.420 125 W HN 0.161 nan 8.180 nan 0.000 0.519 126 V N 3.181 122.844 119.914 -0.419 0.000 2.667 126 V HA 0.573 4.693 4.120 -0.001 0.000 0.308 126 V C -0.602 175.091 176.094 -0.668 0.000 1.048 126 V CA -1.102 60.861 62.300 -0.562 0.000 0.928 126 V CB 1.557 32.949 31.823 -0.719 0.000 1.004 126 V HN 0.518 nan 8.190 nan 0.000 0.444 127 K N 3.326 123.450 120.400 -0.460 0.000 2.123 127 K HA 0.419 4.739 4.320 -0.001 0.000 0.259 127 K C -0.871 175.593 176.600 -0.227 0.000 0.960 127 K CA -0.725 55.386 56.287 -0.294 0.000 0.872 127 K CB 1.319 33.721 32.500 -0.163 0.000 1.079 127 K HN 0.865 nan 8.250 nan 0.000 0.440 128 H N 2.646 121.689 119.070 -0.045 0.000 2.886 128 H HA 0.028 4.584 4.556 -0.001 0.000 0.329 128 H C -1.867 173.497 175.328 0.060 0.000 1.044 128 H CA -1.112 55.032 56.048 0.160 0.000 1.456 128 H CB 1.071 31.015 29.762 0.302 0.000 1.464 128 H HN 0.347 nan 8.280 nan 0.000 0.573 129 P HA -0.119 nan 4.420 nan 0.000 0.222 129 P C 0.311 177.653 177.300 0.070 0.000 1.147 129 P CA 1.472 64.513 63.100 -0.098 0.000 0.790 129 P CB 0.256 31.862 31.700 -0.158 0.000 0.780 130 K N -1.152 119.461 120.400 0.354 0.000 2.437 130 K HA 0.091 4.410 4.320 -0.001 0.000 0.198 130 K C 0.136 176.842 176.600 0.177 0.000 1.024 130 K CA -0.225 56.242 56.287 0.300 0.000 1.148 130 K CB -0.222 32.485 32.500 0.345 0.000 0.860 130 K HN 0.147 nan 8.250 nan 0.000 0.515 131 N N 2.873 121.659 118.700 0.144 0.000 2.454 131 N HA 0.039 4.778 4.740 -0.001 0.000 0.254 131 N C -2.403 173.102 175.510 -0.010 0.000 1.228 131 N CA -0.970 52.094 53.050 0.022 0.000 0.900 131 N CB 0.353 38.824 38.487 -0.027 0.000 1.089 131 N HN 0.090 nan 8.380 nan 0.000 0.449 132 P HA 0.119 nan 4.420 nan 0.000 0.278 132 P C 0.401 177.667 177.300 -0.057 0.000 1.238 132 P CA -0.429 62.621 63.100 -0.083 0.000 0.794 132 P CB 1.089 32.739 31.700 -0.084 0.000 0.955 133 L N 2.179 123.343 121.223 -0.097 0.000 2.270 133 L HA 0.208 4.548 4.340 -0.001 0.000 0.210 133 L C 1.087 177.927 176.870 -0.050 0.000 1.104 133 L CA 1.202 56.012 54.840 -0.050 0.000 0.804 133 L CB -0.376 41.649 42.059 -0.057 0.000 0.937 133 L HN 0.396 nan 8.230 nan 0.000 0.450 134 I N -1.445 119.049 120.570 -0.127 0.000 2.656 134 I HA 0.329 4.498 4.170 -0.001 0.000 0.292 134 I C -0.434 175.702 176.117 0.031 0.000 1.144 134 I CA -0.512 60.731 61.300 -0.095 0.000 1.038 134 I CB 2.195 39.989 38.000 -0.343 0.000 1.244 134 I HN -0.078 nan 8.210 nan 0.000 0.420 135 T N 1.789 116.371 114.554 0.047 0.000 2.930 135 T HA 0.590 4.939 4.350 -0.001 0.000 0.290 135 T C -2.870 171.662 174.700 -0.281 0.000 1.052 135 T CA -2.544 59.565 62.100 0.016 0.000 1.017 135 T CB 1.671 70.516 68.868 -0.038 0.000 1.137 135 T HN 0.146 nan 8.240 nan 0.000 0.511 136 P HA 0.181 nan 4.420 nan 0.000 0.261 136 P C -2.266 174.600 177.300 -0.724 0.000 1.173 136 P CA -0.458 62.063 63.100 -0.964 0.000 0.760 136 P CB -0.572 30.901 31.700 -0.378 0.000 0.783 137 P HA -0.046 nan 4.420 nan 0.000 0.274 137 P C 1.026 178.134 177.300 -0.320 0.000 1.264 137 P CA -0.112 62.685 63.100 -0.505 0.000 0.795 137 P CB 0.500 31.841 31.700 -0.598 0.000 1.064 138 E N 0.723 120.800 120.200 -0.205 0.000 2.002 138 E HA -0.151 4.198 4.350 -0.001 0.000 0.205 138 E C 1.612 178.144 176.600 -0.114 0.000 1.020 138 E CA 2.249 58.569 56.400 -0.134 0.000 0.856 138 E CB -1.422 28.222 29.700 -0.093 0.000 0.788 138 E HN 0.519 nan 8.360 nan 0.000 0.477 139 G N 0.329 109.077 108.800 -0.087 0.000 3.375 139 G HA2 0.295 4.255 3.960 -0.001 0.000 0.247 139 G HA3 0.295 4.255 3.960 -0.001 0.000 0.247 139 G C -0.707 174.168 174.900 -0.042 0.000 1.343 139 G CA 0.069 45.138 45.100 -0.052 0.000 1.368 139 G HN 0.106 nan 8.290 nan 0.000 0.549 140 V N 0.222 120.080 119.914 -0.093 0.000 2.487 140 V HA 0.292 4.411 4.120 -0.001 0.000 0.298 140 V C 0.181 176.245 176.094 -0.050 0.000 1.028 140 V CA -1.326 60.934 62.300 -0.067 0.000 0.860 140 V CB 1.867 33.570 31.823 -0.200 0.000 0.991 140 V HN 0.266 nan 8.190 nan 0.000 0.427 141 K N 2.168 122.580 120.400 0.020 0.000 2.336 141 K HA 0.105 4.424 4.320 -0.001 0.000 0.262 141 K C 0.439 177.073 176.600 0.057 0.000 0.992 141 K CA -0.330 55.979 56.287 0.036 0.000 0.927 141 K CB 0.541 33.077 32.500 0.059 0.000 0.956 141 K HN 0.583 nan 8.250 nan 0.000 0.495 142 D N 1.523 121.958 120.400 0.059 0.000 2.310 142 D HA -0.120 4.520 4.640 -0.001 0.000 0.212 142 D C 0.435 176.830 176.300 0.157 0.000 0.965 142 D CA 1.230 55.285 54.000 0.091 0.000 0.879 142 D CB 0.001 40.845 40.800 0.073 0.000 0.921 142 D HN 0.533 nan 8.370 nan 0.000 0.510 143 D N -0.933 119.558 120.400 0.151 0.000 2.593 143 D HA 0.053 4.692 4.640 -0.001 0.000 0.241 143 D C -0.045 176.358 176.300 0.171 0.000 1.257 143 D CA -0.404 53.700 54.000 0.173 0.000 0.828 143 D CB -0.771 40.111 40.800 0.136 0.000 1.049 143 D HN -0.043 nan 8.370 nan 0.000 0.490 144 C N 0.641 120.070 119.300 0.215 0.000 3.025 144 C HA 0.424 4.884 4.460 -0.001 0.000 0.240 144 C C -0.884 174.347 174.990 0.403 0.000 2.061 144 C CA -0.828 58.339 59.018 0.249 0.000 1.571 144 C CB -1.210 26.651 27.740 0.201 0.000 3.075 144 C HN 0.343 nan 8.230 nan 0.000 0.479 145 F N 3.390 123.444 119.950 0.172 0.000 3.228 145 F HA 0.570 5.097 4.527 -0.001 0.000 0.385 145 F C -0.169 175.728 175.800 0.161 0.000 1.247 145 F CA -0.544 57.562 58.000 0.177 0.000 1.211 145 F CB 0.250 39.279 39.000 0.049 0.000 1.719 145 F HN 0.477 nan 8.300 nan 0.000 0.630 146 R N 2.147 122.611 120.500 -0.060 0.000 2.762 146 R HA 0.568 4.908 4.340 -0.001 0.000 0.271 146 R C -1.639 174.641 176.300 -0.032 0.000 1.038 146 R CA -0.861 55.193 56.100 -0.078 0.000 0.906 146 R CB 0.932 31.299 30.300 0.113 0.000 1.259 146 R HN 0.176 nan 8.270 nan 0.000 0.457 147 D N 0.196 120.606 120.400 0.018 0.000 3.026 147 D HA -0.072 4.568 4.640 -0.001 0.000 0.248 147 D C -2.360 173.954 176.300 0.023 0.000 1.100 147 D CA 0.595 54.632 54.000 0.061 0.000 0.855 147 D CB -0.863 39.996 40.800 0.099 0.000 1.011 147 D HN 0.498 nan 8.370 nan 0.000 0.423 148 P HA 0.075 nan 4.420 nan 0.000 0.271 148 P C 0.434 177.759 177.300 0.042 0.000 1.216 148 P CA -0.097 62.950 63.100 -0.088 0.000 0.776 148 P CB 1.068 32.624 31.700 -0.239 0.000 0.881 149 S N 1.897 117.658 115.700 0.103 0.000 2.671 149 S HA 0.307 4.777 4.470 -0.001 0.000 0.272 149 S C 0.261 175.016 174.600 0.258 0.000 1.174 149 S CA -0.407 57.931 58.200 0.230 0.000 1.004 149 S CB -0.297 63.122 63.200 0.365 0.000 1.077 149 S HN 0.407 nan 8.310 nan 0.000 0.553 150 T N 1.604 116.376 114.554 0.365 0.000 2.907 150 T HA 0.560 4.910 4.350 -0.001 0.000 0.298 150 T C 0.392 175.410 174.700 0.529 0.000 1.017 150 T CA 0.110 62.453 62.100 0.404 0.000 1.118 150 T CB 0.518 69.642 68.868 0.427 0.000 0.948 150 T HN 0.925 nan 8.240 nan 0.000 0.531 151 A N 2.662 125.784 122.820 0.504 0.000 2.286 151 A HA 0.712 5.031 4.320 -0.001 0.000 0.286 151 A C -0.728 177.381 177.584 0.874 0.000 1.097 151 A CA -0.875 51.500 52.037 0.564 0.000 0.821 151 A CB 0.379 19.737 19.000 0.598 0.000 1.076 151 A HN 0.952 nan 8.150 nan 0.000 0.490 152 W N 0.528 122.290 121.300 0.769 0.000 2.915 152 W HA 0.618 5.278 4.660 -0.001 0.000 0.337 152 W C -1.653 175.189 176.519 0.537 0.000 1.102 152 W CA -1.204 56.533 57.345 0.654 0.000 1.224 152 W CB 0.907 30.667 29.460 0.501 0.000 1.416 152 W HN 0.487 nan 8.180 nan 0.000 0.503 153 L N 4.377 125.751 121.223 0.251 0.000 2.257 153 L HA 0.748 5.088 4.340 -0.001 0.000 0.290 153 L C 0.503 177.410 176.870 0.063 0.000 1.044 153 L CA -0.159 54.484 54.840 -0.327 0.000 0.810 153 L CB 0.579 42.066 42.059 -0.953 0.000 1.193 153 L HN 0.783 nan 8.230 nan 0.000 0.425 154 G N 5.027 113.865 108.800 0.064 0.000 2.599 154 G HA2 0.351 4.311 3.960 -0.001 0.000 0.264 154 G HA3 0.351 4.311 3.960 -0.001 0.000 0.264 154 G C -1.776 173.158 174.900 0.056 0.000 1.200 154 G CA -0.706 44.476 45.100 0.137 0.000 0.896 154 G HN 0.659 nan 8.290 nan 0.000 0.536 155 P HA -0.128 nan 4.420 nan 0.000 0.218 155 P C 0.790 178.092 177.300 0.003 0.000 1.146 155 P CA 1.404 64.534 63.100 0.049 0.000 0.813 155 P CB 0.132 31.789 31.700 -0.072 0.000 0.778 156 D N -1.050 119.333 120.400 -0.029 0.000 2.336 156 D HA 0.058 4.697 4.640 -0.001 0.000 0.229 156 D C 1.345 177.618 176.300 -0.046 0.000 1.061 156 D CA 0.439 54.422 54.000 -0.029 0.000 0.875 156 D CB -1.177 39.607 40.800 -0.026 0.000 0.904 156 D HN 0.246 nan 8.370 nan 0.000 0.525 157 G N -0.367 108.387 108.800 -0.076 0.000 2.160 157 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.251 157 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.251 157 G C -0.031 174.757 174.900 -0.187 0.000 1.008 157 G CA 0.341 45.356 45.100 -0.140 0.000 0.724 157 G HN 0.399 nan 8.290 nan 0.000 0.514 158 V N -0.316 119.504 119.914 -0.157 0.000 2.459 158 V HA 0.656 4.775 4.120 -0.001 0.000 0.295 158 V C 0.367 176.395 176.094 -0.110 0.000 1.029 158 V CA -1.112 61.125 62.300 -0.106 0.000 0.874 158 V CB 1.275 33.086 31.823 -0.019 0.000 0.985 158 V HN 0.321 nan 8.190 nan 0.000 0.438 159 W N 3.663 124.959 121.300 -0.007 0.000 2.202 159 W HA 0.666 5.326 4.660 -0.000 0.000 0.332 159 W C 0.402 176.893 176.519 -0.046 0.000 1.263 159 W CA -0.223 57.139 57.345 0.027 0.000 1.223 159 W CB 0.788 30.321 29.460 0.122 0.000 1.128 159 W HN 0.363 nan 8.180 nan 0.000 0.573 160 R N 2.820 123.318 120.500 -0.004 0.000 2.686 160 R HA 0.690 5.029 4.340 -0.001 0.000 0.283 160 R C -0.822 174.995 176.300 -0.804 0.000 0.978 160 R CA -0.777 55.027 56.100 -0.493 0.000 0.897 160 R CB 1.471 31.135 30.300 -1.060 0.000 1.192 160 R HN 0.538 nan 8.270 nan 0.000 0.457 161 I N -1.393 118.908 120.570 -0.448 0.000 3.102 161 I HA 0.806 4.976 4.170 -0.001 0.000 0.310 161 I C -0.909 175.196 176.117 -0.020 0.000 1.246 161 I CA -1.361 59.772 61.300 -0.280 0.000 0.979 161 I CB 2.394 40.207 38.000 -0.311 0.000 1.267 161 I HN 0.349 nan 8.210 nan 0.000 0.451 162 V N 1.569 121.584 119.914 0.168 0.000 2.864 162 V HA 0.862 4.982 4.120 -0.001 0.000 0.314 162 V C -0.604 175.593 176.094 0.172 0.000 1.073 162 V CA -0.744 61.701 62.300 0.241 0.000 0.956 162 V CB 1.565 33.560 31.823 0.287 0.000 1.023 162 V HN 0.655 nan 8.190 nan 0.000 0.435 163 V N 2.123 122.177 119.914 0.233 0.000 2.656 163 V HA 0.810 4.929 4.120 -0.001 0.000 0.307 163 V C 0.938 177.187 176.094 0.258 0.000 1.051 163 V CA 0.238 62.598 62.300 0.099 0.000 0.893 163 V CB 1.655 33.361 31.823 -0.196 0.000 0.999 163 V HN 1.318 nan 8.190 nan 0.000 0.426 164 G N 1.446 110.359 108.800 0.189 0.000 2.621 164 G HA2 0.696 4.655 3.960 -0.001 0.000 0.271 164 G HA3 0.696 4.655 3.960 -0.001 0.000 0.271 164 G C 0.258 175.377 174.900 0.365 0.000 1.236 164 G CA 0.381 45.646 45.100 0.275 0.000 0.958 164 G HN 1.583 nan 8.290 nan 0.000 0.512 165 G N -0.752 108.247 108.800 0.333 0.000 2.302 165 G HA2 0.497 4.457 3.960 -0.001 0.000 0.276 165 G HA3 0.497 4.457 3.960 -0.001 0.000 0.276 165 G C -1.457 173.562 174.900 0.200 0.000 1.316 165 G CA 0.374 45.723 45.100 0.416 0.000 0.988 165 G HN 1.554 nan 8.290 nan 0.000 0.479 166 D N -1.881 118.676 120.400 0.262 0.000 2.663 166 D HA 0.586 5.226 4.640 -0.001 0.000 0.233 166 D C -0.633 175.772 176.300 0.174 0.000 1.240 166 D CA -0.757 53.279 54.000 0.060 0.000 0.774 166 D CB 1.506 42.314 40.800 0.013 0.000 1.443 166 D HN 0.549 nan 8.370 nan 0.000 0.441 167 R N 1.382 121.924 120.500 0.070 0.000 2.371 167 R HA 0.313 4.653 4.340 -0.001 0.000 0.312 167 R C -0.926 175.383 176.300 0.015 0.000 0.980 167 R CA -0.435 55.719 56.100 0.091 0.000 0.867 167 R CB 0.287 30.656 30.300 0.115 0.000 1.163 167 R HN 0.559 nan 8.270 nan 0.000 0.492 168 D N 3.476 123.889 120.400 0.022 0.000 2.718 168 D HA -0.222 4.417 4.640 -0.001 0.000 0.242 168 D C -0.083 176.210 176.300 -0.011 0.000 1.123 168 D CA 1.359 55.361 54.000 0.004 0.000 0.690 168 D CB -0.905 39.891 40.800 -0.006 0.000 1.059 168 D HN 0.922 nan 8.370 nan 0.000 0.429 169 N N -0.678 118.020 118.700 -0.003 0.000 2.863 169 N HA -0.210 4.529 4.740 -0.001 0.000 0.245 169 N C -1.091 174.379 175.510 -0.067 0.000 1.001 169 N CA 1.271 54.312 53.050 -0.015 0.000 0.901 169 N CB -0.486 37.997 38.487 -0.006 0.000 1.124 169 N HN 0.384 nan 8.380 nan 0.000 0.582 170 N N 0.651 119.287 118.700 -0.107 0.000 2.426 170 N HA 0.355 5.095 4.740 -0.001 0.000 0.257 170 N C 0.466 175.754 175.510 -0.370 0.000 1.002 170 N CA 0.363 53.289 53.050 -0.207 0.000 0.942 170 N CB 1.006 39.384 38.487 -0.183 0.000 1.112 170 N HN 0.375 nan 8.380 nan 0.000 0.499 171 G N 2.303 110.776 108.800 -0.544 0.000 2.257 171 G HA2 0.087 4.047 3.960 -0.001 0.000 0.235 171 G HA3 0.087 4.047 3.960 -0.001 0.000 0.235 171 G C 0.034 174.022 174.900 -1.520 0.000 1.225 171 G CA 0.032 44.445 45.100 -1.145 0.000 0.878 171 G HN 0.378 nan 8.290 nan 0.000 0.505 172 M N 0.985 119.831 119.600 -1.257 0.000 2.446 172 M HA 0.499 4.979 4.480 -0.001 0.000 0.294 172 M C -0.216 175.656 176.300 -0.714 0.000 1.158 172 M CA -0.952 53.660 55.300 -1.148 0.000 0.899 172 M CB 2.398 34.127 32.600 -1.451 0.000 1.687 172 M HN 0.597 nan 8.290 nan 0.000 0.455 173 A N 3.099 125.629 122.820 -0.482 0.000 2.938 173 A HA 0.638 4.958 4.320 -0.001 0.000 0.344 173 A C -0.880 176.682 177.584 -0.036 0.000 1.142 173 A CA -0.496 51.545 52.037 0.006 0.000 0.841 173 A CB -0.393 18.768 19.000 0.268 0.000 1.083 173 A HN 0.593 nan 8.150 nan 0.000 0.479 174 F N 0.702 120.772 119.950 0.201 0.000 2.608 174 F HA 0.224 4.751 4.527 -0.001 0.000 0.380 174 F C 0.432 176.381 175.800 0.249 0.000 1.083 174 F CA 0.132 58.275 58.000 0.238 0.000 1.266 174 F CB 0.414 39.703 39.000 0.482 0.000 1.076 174 F HN 0.401 nan 8.300 nan 0.000 0.574 175 L N 5.627 127.020 121.223 0.283 0.000 2.282 175 L HA 0.505 4.844 4.340 -0.001 0.000 0.288 175 L C -1.430 175.476 176.870 0.060 0.000 1.033 175 L CA -0.577 54.379 54.840 0.192 0.000 0.807 175 L CB 0.373 42.493 42.059 0.102 0.000 1.209 175 L HN 0.414 nan 8.230 nan 0.000 0.423 176 Y N 2.809 123.198 120.300 0.149 0.000 2.536 176 Y HA 0.675 5.224 4.550 -0.001 0.000 0.347 176 Y C -0.225 175.866 175.900 0.318 0.000 1.000 176 Y CA -0.652 57.585 58.100 0.228 0.000 1.051 176 Y CB 2.023 40.581 38.460 0.163 0.000 1.259 176 Y HN 0.534 nan 8.280 nan 0.000 0.468 177 Q N 0.761 120.858 119.800 0.494 0.000 2.413 177 Q HA 0.791 5.130 4.340 -0.001 0.000 0.276 177 Q C -1.254 174.819 176.000 0.121 0.000 1.099 177 Q CA -0.994 55.000 55.803 0.317 0.000 0.814 177 Q CB 2.717 31.566 28.738 0.185 0.000 1.379 177 Q HN 0.597 nan 8.270 nan 0.000 0.436 178 S N -1.011 114.583 115.700 -0.176 0.000 2.565 178 S HA 0.386 4.856 4.470 -0.001 0.000 0.274 178 S C -0.357 174.140 174.600 -0.171 0.000 1.144 178 S CA -0.071 57.826 58.200 -0.505 0.000 0.849 178 S CB 1.200 63.362 63.200 -1.729 0.000 1.103 178 S HN 0.738 nan 8.310 nan 0.000 0.455 179 T N -0.514 113.971 114.554 -0.115 0.000 2.978 179 T HA 0.176 4.526 4.350 -0.001 0.000 0.248 179 T C 0.728 175.500 174.700 0.120 0.000 1.018 179 T CA 0.836 62.965 62.100 0.049 0.000 1.026 179 T CB -0.326 68.540 68.868 -0.003 0.000 1.032 179 T HN 0.626 nan 8.240 nan 0.000 0.485 180 D N -0.317 120.064 120.400 -0.031 0.000 2.369 180 D HA 0.168 4.807 4.640 -0.001 0.000 0.211 180 D C 0.792 177.078 176.300 -0.023 0.000 1.077 180 D CA -0.773 53.221 54.000 -0.011 0.000 0.842 180 D CB -0.464 40.303 40.800 -0.055 0.000 0.947 180 D HN 0.247 nan 8.370 nan 0.000 0.509 181 F N -0.336 119.339 119.950 -0.457 0.000 2.871 181 F HA -0.335 4.192 4.527 -0.001 0.000 0.326 181 F C 0.588 176.201 175.800 -0.312 0.000 0.675 181 F CA 0.812 58.485 58.000 -0.546 0.000 1.188 181 F CB -1.129 37.651 39.000 -0.367 0.000 1.567 181 F HN 0.041 nan 8.300 nan 0.000 0.325 182 V N -1.499 118.217 119.914 -0.330 0.000 3.013 182 V HA 0.165 4.285 4.120 -0.001 0.000 0.238 182 V C 0.853 176.820 176.094 -0.212 0.000 1.161 182 V CA 0.933 63.095 62.300 -0.229 0.000 1.170 182 V CB 0.147 31.834 31.823 -0.228 0.000 0.917 182 V HN 0.190 nan 8.190 nan 0.000 0.478 183 N N 0.581 119.091 118.700 -0.316 0.000 2.457 183 N HA 0.263 5.003 4.740 -0.001 0.000 0.250 183 N C -1.607 173.726 175.510 -0.295 0.000 0.982 183 N CA -0.134 52.809 53.050 -0.178 0.000 0.941 183 N CB 1.118 39.539 38.487 -0.110 0.000 1.120 183 N HN 0.314 nan 8.380 nan 0.000 0.505 184 W N 1.658 122.941 121.300 -0.029 0.000 2.606 184 W HA 0.437 5.096 4.660 -0.001 0.000 0.332 184 W C 0.257 176.859 176.519 0.138 0.000 1.052 184 W CA -0.737 56.632 57.345 0.040 0.000 1.223 184 W CB 1.487 30.941 29.460 -0.010 0.000 1.383 184 W HN 0.021 nan 8.180 nan 0.000 0.524 185 K N 2.417 123.054 120.400 0.395 0.000 2.426 185 K HA 0.387 4.706 4.320 -0.001 0.000 0.254 185 K C -0.344 176.365 176.600 0.181 0.000 0.936 185 K CA -1.243 55.196 56.287 0.253 0.000 0.801 185 K CB 2.409 34.984 32.500 0.124 0.000 1.139 185 K HN 0.370 nan 8.250 nan 0.000 0.424 186 R N 2.599 123.082 120.500 -0.028 0.000 2.522 186 R HA 0.003 4.342 4.340 -0.001 0.000 0.284 186 R C -0.673 175.512 176.300 -0.191 0.000 1.032 186 R CA -0.014 55.758 56.100 -0.547 0.000 1.049 186 R CB 0.259 30.220 30.300 -0.566 0.000 0.956 186 R HN 0.552 nan 8.270 nan 0.000 0.422 187 Y N 3.024 123.172 120.300 -0.254 0.000 2.336 187 Y HA -0.092 4.458 4.550 -0.000 0.000 0.331 187 Y C 1.220 177.073 175.900 -0.078 0.000 1.211 187 Y CA 0.371 58.415 58.100 -0.093 0.000 1.346 187 Y CB 0.996 39.440 38.460 -0.028 0.000 1.271 187 Y HN 0.802 nan 8.280 nan 0.000 0.538 188 D N 0.887 120.949 120.400 -0.563 0.000 2.127 188 D HA -0.207 4.433 4.640 -0.001 0.000 0.190 188 D C -0.049 176.205 176.300 -0.077 0.000 1.000 188 D CA 1.829 55.638 54.000 -0.319 0.000 0.839 188 D CB 0.199 40.754 40.800 -0.409 0.000 0.955 188 D HN 0.508 nan 8.370 nan 0.000 0.446 189 Q N -0.187 119.657 119.800 0.072 0.000 2.248 189 Q HA 0.460 4.800 4.340 -0.001 0.000 0.263 189 Q C -2.241 173.909 176.000 0.251 0.000 1.007 189 Q CA -2.042 53.864 55.803 0.171 0.000 0.877 189 Q CB 1.164 30.008 28.738 0.177 0.000 1.315 189 Q HN 0.134 nan 8.270 nan 0.000 0.454 190 P HA 0.053 nan 4.420 nan 0.000 0.274 190 P C 0.595 177.942 177.300 0.078 0.000 1.246 190 P CA -0.403 62.746 63.100 0.082 0.000 0.795 190 P CB 0.632 32.286 31.700 -0.077 0.000 1.006 191 L N 0.653 121.901 121.223 0.042 0.000 2.093 191 L HA 0.054 4.393 4.340 -0.001 0.000 0.208 191 L C 0.686 177.602 176.870 0.076 0.000 1.085 191 L CA 2.040 56.883 54.840 0.006 0.000 0.755 191 L CB -0.354 41.612 42.059 -0.156 0.000 0.904 191 L HN 0.408 nan 8.230 nan 0.000 0.435 192 S N -2.301 113.441 115.700 0.070 0.000 2.611 192 S HA 0.724 5.194 4.470 -0.001 0.000 0.268 192 S C -1.118 173.422 174.600 -0.101 0.000 1.156 192 S CA -0.084 58.212 58.200 0.158 0.000 0.817 192 S CB 0.932 64.363 63.200 0.385 0.000 1.122 192 S HN 0.570 nan 8.310 nan 0.000 0.466 193 S N 0.522 116.136 115.700 -0.143 0.000 2.643 193 S HA 0.869 5.339 4.470 -0.001 0.000 0.266 193 S C -1.252 173.180 174.600 -0.280 0.000 1.130 193 S CA -0.302 57.497 58.200 -0.667 0.000 0.817 193 S CB 0.668 63.557 63.200 -0.517 0.000 1.107 193 S HN 1.998 nan 8.310 nan 0.000 0.471 194 A N 0.589 123.164 122.820 -0.407 0.000 2.547 194 A HA 0.714 5.034 4.320 -0.001 0.000 0.297 194 A C -1.722 175.729 177.584 -0.223 0.000 1.056 194 A CA -0.699 51.253 52.037 -0.142 0.000 0.688 194 A CB 1.143 20.179 19.000 0.060 0.000 1.282 194 A HN 0.712 nan 8.150 nan 0.000 0.400 195 D N 1.386 121.703 120.400 -0.139 0.000 2.372 195 D HA 0.448 5.088 4.640 -0.001 0.000 0.243 195 D C 1.187 177.414 176.300 -0.121 0.000 1.121 195 D CA 1.366 55.292 54.000 -0.123 0.000 0.898 195 D CB 1.091 41.846 40.800 -0.075 0.000 1.202 195 D HN 1.474 nan 8.370 nan 0.000 0.428 196 A N 1.741 124.502 122.820 -0.100 0.000 2.714 196 A HA -0.250 4.069 4.320 -0.001 0.000 0.305 196 A C 1.446 178.985 177.584 -0.075 0.000 1.520 196 A CA 1.893 53.889 52.037 -0.068 0.000 0.879 196 A CB -2.138 16.840 19.000 -0.037 0.000 0.976 196 A HN 0.650 nan 8.150 nan 0.000 0.487 197 T N -3.678 110.787 114.554 -0.149 0.000 3.044 197 T HA 0.485 4.834 4.350 -0.001 0.000 0.250 197 T C 1.876 176.566 174.700 -0.017 0.000 1.081 197 T CA 1.214 63.193 62.100 -0.200 0.000 1.040 197 T CB 0.155 68.596 68.868 -0.711 0.000 0.962 197 T HN 2.576 nan 8.240 nan 0.000 0.506 198 G N 1.125 109.924 108.800 -0.001 0.000 2.698 198 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.225 198 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.225 198 G C -0.334 174.650 174.900 0.140 0.000 1.345 198 G CA -0.600 44.550 45.100 0.085 0.000 0.871 198 G HN 0.526 nan 8.290 nan 0.000 0.540 199 T N 0.913 115.584 114.554 0.194 0.000 2.902 199 T HA 0.298 4.648 4.350 -0.001 0.000 0.301 199 T C -0.100 174.872 174.700 0.453 0.000 1.012 199 T CA 0.652 62.905 62.100 0.254 0.000 1.151 199 T CB 0.326 69.329 68.868 0.224 0.000 0.946 199 T HN 0.479 nan 8.240 nan 0.000 0.542 200 W N 3.529 124.916 121.300 0.145 0.000 2.388 200 W HA 0.311 4.970 4.660 -0.001 0.000 0.308 200 W C 0.633 177.273 176.519 0.201 0.000 1.263 200 W CA -1.046 56.427 57.345 0.214 0.000 1.286 200 W CB -0.286 29.248 29.460 0.123 0.000 1.294 200 W HN 0.657 nan 8.180 nan 0.000 0.493 201 E N 1.864 122.288 120.200 0.374 0.000 2.204 201 E HA 0.287 4.636 4.350 -0.001 0.000 0.276 201 E C 0.022 176.695 176.600 0.122 0.000 0.974 201 E CA -0.638 55.903 56.400 0.234 0.000 0.815 201 E CB 1.291 31.139 29.700 0.247 0.000 1.119 201 E HN 0.365 nan 8.360 nan 0.000 0.393 202 C N 2.465 121.830 119.300 0.108 0.000 3.727 202 C HA -0.101 4.359 4.460 -0.001 0.000 0.293 202 C C -2.164 172.892 174.990 0.111 0.000 1.339 202 C CA -0.934 58.134 59.018 0.082 0.000 2.150 202 C CB -2.644 25.101 27.740 0.008 0.000 1.383 202 C HN 0.572 nan 8.230 nan 0.000 0.614 203 P HA 0.373 nan 4.420 nan 0.000 0.269 203 P C -0.080 177.356 177.300 0.227 0.000 1.209 203 P CA 0.661 63.874 63.100 0.188 0.000 0.776 203 P CB 0.567 32.424 31.700 0.261 0.000 0.876 204 D N 1.578 122.124 120.400 0.244 0.000 2.896 204 D HA 0.467 5.107 4.640 -0.001 0.000 0.241 204 D C -1.994 174.490 176.300 0.307 0.000 1.188 204 D CA -0.412 53.792 54.000 0.340 0.000 0.879 204 D CB 0.787 41.829 40.800 0.403 0.000 1.553 204 D HN 0.059 nan 8.370 nan 0.000 0.515 205 F N 5.398 125.414 119.950 0.110 0.000 2.539 205 F HA 0.519 5.046 4.527 -0.000 0.000 0.328 205 F C -1.705 173.975 175.800 -0.200 0.000 1.148 205 F CA -0.496 57.361 58.000 -0.239 0.000 0.940 205 F CB 0.710 39.459 39.000 -0.418 0.000 1.194 205 F HN 0.315 nan 8.300 nan 0.000 0.438 206 Y N 4.509 124.403 120.300 -0.677 0.000 2.638 206 Y HA 0.830 5.379 4.550 -0.001 0.000 0.335 206 Y C -3.347 172.077 175.900 -0.792 0.000 1.155 206 Y CA -3.048 54.721 58.100 -0.552 0.000 1.046 206 Y CB 1.138 39.476 38.460 -0.204 0.000 1.303 206 Y HN 0.271 nan 8.280 nan 0.000 0.460 207 P HA 0.504 nan 4.420 nan 0.000 0.287 207 P C -1.218 175.972 177.300 -0.183 0.000 1.270 207 P CA -0.577 62.080 63.100 -0.740 0.000 0.844 207 P CB 2.744 34.042 31.700 -0.670 0.000 1.068 208 V N -1.986 117.846 119.914 -0.138 0.000 2.760 208 V HA 0.615 4.735 4.120 -0.001 0.000 0.309 208 V C -2.840 173.264 176.094 0.015 0.000 1.077 208 V CA -2.971 59.339 62.300 0.017 0.000 0.910 208 V CB 2.060 33.933 31.823 0.084 0.000 1.008 208 V HN 0.381 nan 8.190 nan 0.000 0.424 209 P HA 0.378 nan 4.420 nan 0.000 0.287 209 P C -0.287 177.052 177.300 0.066 0.000 1.281 209 P CA -0.244 62.880 63.100 0.040 0.000 0.781 209 P CB 1.314 33.032 31.700 0.029 0.000 0.903 210 L N 3.444 124.703 121.223 0.061 0.000 2.461 210 L HA 0.109 4.449 4.340 -0.001 0.000 0.272 210 L C 1.495 178.400 176.870 0.059 0.000 1.197 210 L CA 0.087 54.969 54.840 0.070 0.000 0.836 210 L CB -0.383 41.715 42.059 0.065 0.000 1.105 210 L HN 0.662 nan 8.230 nan 0.000 0.477 211 N N 1.472 120.212 118.700 0.066 0.000 2.688 211 N HA -0.213 4.527 4.740 -0.001 0.000 0.258 211 N C -0.823 174.703 175.510 0.026 0.000 1.016 211 N CA 0.559 53.638 53.050 0.047 0.000 0.747 211 N CB -0.132 38.376 38.487 0.034 0.000 0.895 211 N HN 0.621 nan 8.380 nan 0.000 0.543 212 S N -0.830 114.889 115.700 0.031 0.000 2.558 212 S HA 0.309 4.778 4.470 -0.001 0.000 0.277 212 S C 0.358 174.925 174.600 -0.054 0.000 1.143 212 S CA 0.068 58.256 58.200 -0.020 0.000 0.865 212 S CB 1.426 64.624 63.200 -0.002 0.000 1.102 212 S HN 0.347 nan 8.310 nan 0.000 0.454 213 T N 0.630 115.033 114.554 -0.250 0.000 3.214 213 T HA 0.412 4.761 4.350 -0.001 0.000 0.264 213 T C 0.213 174.625 174.700 -0.480 0.000 1.012 213 T CA -0.307 61.376 62.100 -0.696 0.000 0.901 213 T CB -0.971 67.235 68.868 -1.102 0.000 1.070 213 T HN 0.535 nan 8.240 nan 0.000 0.561 214 N N -0.332 118.284 118.700 -0.139 0.000 2.563 214 N HA 0.681 5.421 4.740 -0.001 0.000 0.288 214 N C 0.042 175.617 175.510 0.107 0.000 1.246 214 N CA -1.257 51.778 53.050 -0.026 0.000 0.946 214 N CB 1.189 39.670 38.487 -0.010 0.000 1.213 214 N HN 0.320 nan 8.380 nan 0.000 0.578 215 G N -0.339 108.565 108.800 0.173 0.000 2.509 215 G HA2 0.729 4.689 3.960 -0.001 0.000 0.328 215 G HA3 0.729 4.689 3.960 -0.001 0.000 0.328 215 G C -1.174 173.851 174.900 0.209 0.000 1.194 215 G CA -0.445 44.800 45.100 0.242 0.000 0.967 215 G HN 0.270 nan 8.290 nan 0.000 0.488 216 L N -0.398 120.794 121.223 -0.052 0.000 2.371 216 L HA 0.336 4.676 4.340 -0.001 0.000 0.262 216 L C -0.726 175.511 176.870 -1.055 0.000 1.006 216 L CA -1.017 53.528 54.840 -0.492 0.000 0.818 216 L CB 2.527 44.443 42.059 -0.238 0.000 1.354 216 L HN 0.594 nan 8.230 nan 0.000 0.415 217 D N -0.067 119.542 120.400 -1.320 0.000 2.443 217 D HA 0.017 4.657 4.640 -0.001 0.000 0.239 217 D C 0.998 177.152 176.300 -0.242 0.000 1.136 217 D CA 0.181 53.655 54.000 -0.877 0.000 0.879 217 D CB 1.325 41.876 40.800 -0.415 0.000 1.195 217 D HN 0.555 nan 8.370 nan 0.000 0.443 218 T N 1.418 115.995 114.554 0.038 0.000 2.822 218 T HA -0.136 4.213 4.350 -0.001 0.000 0.270 218 T C 1.531 176.394 174.700 0.272 0.000 1.064 218 T CA 1.199 63.415 62.100 0.195 0.000 1.131 218 T CB -0.095 69.009 68.868 0.393 0.000 0.858 218 T HN 0.294 nan 8.240 nan 0.000 0.483 219 S N 0.575 116.442 115.700 0.279 0.000 2.671 219 S HA 0.232 4.702 4.470 -0.001 0.000 0.220 219 S C 0.623 175.367 174.600 0.241 0.000 0.951 219 S CA -0.283 58.129 58.200 0.352 0.000 0.932 219 S CB -0.037 63.349 63.200 0.311 0.000 0.777 219 S HN 0.229 nan 8.310 nan 0.000 0.508 220 V N 2.842 122.809 119.914 0.089 0.000 2.834 220 V HA 0.422 4.541 4.120 -0.001 0.000 0.301 220 V C -0.255 175.913 176.094 0.123 0.000 1.066 220 V CA -0.374 61.897 62.300 -0.048 0.000 1.052 220 V CB 0.399 32.146 31.823 -0.125 0.000 1.021 220 V HN 0.524 nan 8.190 nan 0.000 0.480 221 Y N 0.554 120.937 120.300 0.139 0.000 2.638 221 Y HA 0.937 5.487 4.550 -0.000 0.000 0.335 221 Y C -0.196 175.776 175.900 0.119 0.000 1.155 221 Y CA -0.742 57.474 58.100 0.194 0.000 1.046 221 Y CB 1.538 40.126 38.460 0.213 0.000 1.303 221 Y HN 1.073 nan 8.280 nan 0.000 0.460 222 G N -0.616 108.408 108.800 0.373 0.000 2.356 222 G HA2 0.402 4.362 3.960 -0.001 0.000 0.300 222 G HA3 0.402 4.362 3.960 -0.001 0.000 0.300 222 G C 0.187 175.190 174.900 0.171 0.000 1.331 222 G CA -0.208 45.033 45.100 0.235 0.000 0.905 222 G HN 1.357 nan 8.290 nan 0.000 0.587 223 G N -0.448 108.425 108.800 0.122 0.000 2.448 223 G HA2 0.190 4.150 3.960 -0.001 0.000 0.218 223 G HA3 0.190 4.150 3.960 -0.001 0.000 0.218 223 G C 1.640 176.591 174.900 0.085 0.000 1.135 223 G CA 2.005 47.163 45.100 0.096 0.000 0.784 223 G HN 1.762 nan 8.290 nan 0.000 0.543 224 S N -0.388 115.357 115.700 0.074 0.000 2.679 224 S HA 0.505 4.975 4.470 -0.001 0.000 0.233 224 S C -0.024 174.615 174.600 0.064 0.000 0.951 224 S CA -0.483 57.753 58.200 0.060 0.000 0.973 224 S CB 0.401 63.626 63.200 0.042 0.000 0.778 224 S HN -0.006 nan 8.310 nan 0.000 0.477 225 V N 1.471 121.440 119.914 0.091 0.000 2.789 225 V HA 0.643 4.763 4.120 -0.001 0.000 0.311 225 V C -0.517 175.662 176.094 0.141 0.000 1.073 225 V CA -0.855 61.500 62.300 0.092 0.000 0.921 225 V CB 2.123 34.005 31.823 0.099 0.000 1.009 225 V HN 0.264 nan 8.190 nan 0.000 0.426 226 R N 0.891 121.453 120.500 0.103 0.000 2.854 226 R HA 0.636 4.975 4.340 -0.001 0.000 0.271 226 R C -1.364 174.974 176.300 0.062 0.000 0.994 226 R CA -0.936 55.258 56.100 0.158 0.000 0.945 226 R CB 2.038 32.410 30.300 0.120 0.000 1.194 226 R HN 0.784 nan 8.270 nan 0.000 0.476 227 H N -0.863 118.217 119.070 0.017 0.000 2.573 227 H HA 0.515 5.070 4.556 -0.001 0.000 0.351 227 H C -0.537 174.642 175.328 -0.248 0.000 1.163 227 H CA -0.472 55.420 56.048 -0.259 0.000 1.205 227 H CB 1.763 31.254 29.762 -0.453 0.000 1.605 227 H HN 0.067 nan 8.280 nan 0.000 0.525 228 V N 3.147 122.686 119.914 -0.625 0.000 2.459 228 V HA 0.246 4.365 4.120 -0.001 0.000 0.295 228 V C -0.341 175.364 176.094 -0.647 0.000 1.029 228 V CA -0.796 61.170 62.300 -0.558 0.000 0.874 228 V CB 1.320 32.615 31.823 -0.880 0.000 0.985 228 V HN 0.648 nan 8.190 nan 0.000 0.438 229 M N 6.485 125.908 119.600 -0.295 0.000 2.044 229 M HA 0.481 4.961 4.480 -0.001 0.000 0.333 229 M C -0.766 175.500 176.300 -0.057 0.000 1.004 229 M CA -0.214 54.970 55.300 -0.194 0.000 0.954 229 M CB 0.734 33.091 32.600 -0.404 0.000 1.468 229 M HN 0.567 nan 8.290 nan 0.000 0.414 230 K N 3.994 124.374 120.400 -0.032 0.000 2.207 230 K HA 0.936 5.256 4.320 -0.001 0.000 0.255 230 K C -2.057 174.501 176.600 -0.071 0.000 0.941 230 K CA -0.262 56.017 56.287 -0.012 0.000 0.825 230 K CB 1.635 34.193 32.500 0.097 0.000 1.119 230 K HN 0.806 nan 8.250 nan 0.000 0.430 231 A N 2.130 124.845 122.820 -0.175 0.000 2.547 231 A HA 0.623 4.942 4.320 -0.001 0.000 0.297 231 A C -0.773 176.723 177.584 -0.147 0.000 1.056 231 A CA -0.530 51.353 52.037 -0.257 0.000 0.688 231 A CB 1.573 20.031 19.000 -0.903 0.000 1.282 231 A HN 0.660 nan 8.150 nan 0.000 0.400 232 G N 0.641 109.409 108.800 -0.054 0.000 2.335 232 G HA2 0.771 4.730 3.960 -0.001 0.000 0.316 232 G HA3 0.771 4.730 3.960 -0.001 0.000 0.316 232 G C -0.710 174.403 174.900 0.356 0.000 1.129 232 G CA -0.345 44.751 45.100 -0.006 0.000 0.899 232 G HN 1.676 nan 8.290 nan 0.000 0.448 233 F N -0.971 119.260 119.950 0.469 0.000 2.719 233 F HA 0.580 5.106 4.527 -0.001 0.000 0.309 233 F C 0.195 176.271 175.800 0.462 0.000 1.138 233 F CA -1.535 56.718 58.000 0.422 0.000 0.943 233 F CB 0.868 40.077 39.000 0.349 0.000 1.304 233 F HN 0.623 nan 8.300 nan 0.000 0.445 234 E N 0.811 121.334 120.200 0.538 0.000 2.539 234 E HA -0.143 4.207 4.350 -0.001 0.000 0.253 234 E C 1.154 177.790 176.600 0.059 0.000 1.145 234 E CA 1.118 57.719 56.400 0.335 0.000 0.738 234 E CB -1.660 28.328 29.700 0.479 0.000 1.308 234 E HN 1.924 nan 8.360 nan 0.000 0.409 235 G N -0.628 108.107 108.800 -0.109 0.000 2.176 235 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.253 235 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.253 235 G C -0.049 174.427 174.900 -0.707 0.000 0.979 235 G CA 0.808 45.576 45.100 -0.553 0.000 0.641 235 G HN 0.574 nan 8.290 nan 0.000 0.530 236 H N -0.630 118.467 119.070 0.045 0.000 2.946 236 H HA 0.572 5.128 4.556 -0.001 0.000 0.365 236 H C -1.451 173.637 175.328 -0.399 0.000 1.197 236 H CA -1.054 54.858 56.048 -0.227 0.000 1.131 236 H CB 1.527 30.822 29.762 -0.779 0.000 1.849 236 H HN 0.045 nan 8.280 nan 0.000 0.555 237 D N 1.315 121.507 120.400 -0.348 0.000 2.317 237 D HA 0.127 4.766 4.640 -0.001 0.000 0.234 237 D C -0.921 174.985 176.300 -0.658 0.000 1.112 237 D CA -0.166 53.613 54.000 -0.368 0.000 0.840 237 D CB 0.608 41.383 40.800 -0.042 0.000 1.078 237 D HN 0.240 nan 8.370 nan 0.000 0.486 238 W N 2.611 123.698 121.300 -0.355 0.000 2.655 238 W HA 0.541 5.200 4.660 -0.001 0.000 0.358 238 W C -0.236 176.120 176.519 -0.272 0.000 1.100 238 W CA -1.068 56.055 57.345 -0.370 0.000 1.195 238 W CB 0.738 29.941 29.460 -0.428 0.000 1.403 238 W HN 0.279 nan 8.180 nan 0.000 0.589 239 Y N -1.411 118.840 120.300 -0.081 0.000 2.609 239 Y HA 0.791 5.340 4.550 -0.001 0.000 0.336 239 Y C -1.104 174.799 175.900 0.005 0.000 1.129 239 Y CA -1.619 56.399 58.100 -0.136 0.000 1.040 239 Y CB 1.663 39.910 38.460 -0.356 0.000 1.310 239 Y HN 0.440 nan 8.280 nan 0.000 0.460 240 T N 3.232 117.956 114.554 0.282 0.000 2.952 240 T HA 0.644 4.994 4.350 -0.001 0.000 0.305 240 T C -1.393 173.556 174.700 0.415 0.000 1.064 240 T CA -0.557 61.709 62.100 0.277 0.000 1.008 240 T CB 0.747 69.784 68.868 0.281 0.000 1.078 240 T HN 0.735 nan 8.240 nan 0.000 0.459 241 I N 3.742 124.518 120.570 0.343 0.000 2.396 241 I HA 0.693 4.863 4.170 -0.001 0.000 0.292 241 I C 1.035 177.312 176.117 0.267 0.000 0.999 241 I CA -0.066 61.414 61.300 0.300 0.000 1.310 241 I CB 1.472 39.605 38.000 0.222 0.000 1.404 241 I HN 0.864 nan 8.210 nan 0.000 0.496 242 G N 3.383 112.372 108.800 0.314 0.000 2.561 242 G HA2 0.453 4.413 3.960 -0.001 0.000 0.310 242 G HA3 0.453 4.413 3.960 -0.001 0.000 0.310 242 G C -1.456 173.550 174.900 0.177 0.000 1.292 242 G CA -0.369 44.758 45.100 0.045 0.000 0.811 242 G HN 0.373 nan 8.290 nan 0.000 0.482 243 T N 0.321 114.885 114.554 0.017 0.000 2.823 243 T HA 0.538 4.887 4.350 -0.001 0.000 0.279 243 T C -1.578 173.291 174.700 0.283 0.000 0.998 243 T CA -0.069 62.126 62.100 0.158 0.000 0.994 243 T CB 1.382 70.289 68.868 0.065 0.000 0.960 243 T HN 0.472 nan 8.240 nan 0.000 0.448 244 Y N 1.836 122.221 120.300 0.143 0.000 2.352 244 Y HA 0.557 5.106 4.550 -0.001 0.000 0.339 244 Y C -0.537 175.380 175.900 0.029 0.000 0.992 244 Y CA -1.400 56.766 58.100 0.109 0.000 1.100 244 Y CB 1.436 39.788 38.460 -0.180 0.000 1.192 244 Y HN 0.528 nan 8.280 nan 0.000 0.458 245 S N 9.071 124.562 115.700 -0.347 0.000 2.532 245 S HA 0.251 4.720 4.470 -0.001 0.000 0.256 245 S C -2.143 172.061 174.600 -0.660 0.000 1.298 245 S CA -1.107 56.837 58.200 -0.426 0.000 1.166 245 S CB 1.290 64.399 63.200 -0.152 0.000 1.022 245 S HN 0.609 nan 8.310 nan 0.000 0.480 246 P HA -0.222 nan 4.420 nan 0.000 0.215 246 P C 1.435 178.585 177.300 -0.250 0.000 1.157 246 P CA 1.285 64.040 63.100 -0.574 0.000 0.874 246 P CB 0.004 31.470 31.700 -0.389 0.000 0.790 247 D N 0.681 120.952 120.400 -0.215 0.000 2.157 247 D HA -0.242 4.397 4.640 -0.001 0.000 0.191 247 D C 1.297 177.570 176.300 -0.046 0.000 1.004 247 D CA 1.518 55.454 54.000 -0.106 0.000 0.854 247 D CB -0.739 40.004 40.800 -0.096 0.000 0.936 247 D HN 0.377 nan 8.370 nan 0.000 0.446 248 R N -0.103 120.365 120.500 -0.054 0.000 2.577 248 R HA 0.143 4.482 4.340 -0.001 0.000 0.344 248 R C -0.339 175.966 176.300 0.007 0.000 1.037 248 R CA -0.391 55.727 56.100 0.030 0.000 1.102 248 R CB 0.079 30.405 30.300 0.043 0.000 1.313 248 R HN -0.210 nan 8.270 nan 0.000 0.561 249 E N 1.263 121.399 120.200 -0.107 0.000 2.210 249 E HA -0.236 4.113 4.350 -0.001 0.000 0.201 249 E C -1.177 175.467 176.600 0.074 0.000 1.339 249 E CA 0.990 57.332 56.400 -0.097 0.000 0.699 249 E CB -1.506 27.807 29.700 -0.645 0.000 1.126 249 E HN 0.580 nan 8.360 nan 0.000 0.355 250 N N 0.513 119.290 118.700 0.128 0.000 2.342 250 N HA 0.462 5.202 4.740 -0.001 0.000 0.293 250 N C -1.578 174.139 175.510 0.344 0.000 1.026 250 N CA -0.683 52.479 53.050 0.187 0.000 0.857 250 N CB 0.790 39.335 38.487 0.096 0.000 1.256 250 N HN 0.106 nan 8.380 nan 0.000 0.484 251 F N 4.851 124.914 119.950 0.188 0.000 2.427 251 F HA 0.509 5.036 4.527 -0.001 0.000 0.348 251 F C -1.514 174.385 175.800 0.165 0.000 1.125 251 F CA -1.007 57.131 58.000 0.230 0.000 0.989 251 F CB 0.742 39.869 39.000 0.211 0.000 1.165 251 F HN 0.381 nan 8.300 nan 0.000 0.442 252 L N 8.984 129.914 121.223 -0.488 0.000 2.294 252 L HA 0.518 4.858 4.340 -0.001 0.000 0.283 252 L C -2.480 174.003 176.870 -0.645 0.000 1.015 252 L CA -2.127 52.463 54.840 -0.417 0.000 0.831 252 L CB 1.647 43.606 42.059 -0.168 0.000 1.217 252 L HN 0.458 nan 8.230 nan 0.000 0.420 253 P HA 0.002 nan 4.420 nan 0.000 0.267 253 P C 0.157 177.369 177.300 -0.145 0.000 1.205 253 P CA 0.150 63.066 63.100 -0.307 0.000 0.765 253 P CB 0.690 32.343 31.700 -0.078 0.000 0.828 254 Q N 3.300 123.056 119.800 -0.073 0.000 2.152 254 Q HA -0.241 4.098 4.340 -0.001 0.000 0.206 254 Q C 0.987 176.987 176.000 -0.000 0.000 0.985 254 Q CA 1.877 57.671 55.803 -0.015 0.000 0.863 254 Q CB -0.122 28.638 28.738 0.036 0.000 0.904 254 Q HN 0.500 nan 8.270 nan 0.000 0.422 255 N N -1.472 117.235 118.700 0.011 0.000 2.268 255 N HA 0.093 4.832 4.740 -0.001 0.000 0.204 255 N C 0.667 176.182 175.510 0.009 0.000 1.124 255 N CA 0.732 53.792 53.050 0.016 0.000 0.838 255 N CB 0.301 38.805 38.487 0.029 0.000 0.994 255 N HN 0.258 nan 8.380 nan 0.000 0.489 256 G N 0.025 108.821 108.800 -0.007 0.000 2.212 256 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.267 256 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.267 256 G C -0.311 174.596 174.900 0.011 0.000 1.002 256 G CA 0.824 45.919 45.100 -0.007 0.000 0.729 256 G HN 0.409 nan 8.290 nan 0.000 0.517 257 L N 0.047 121.286 121.223 0.026 0.000 2.352 257 L HA 0.641 4.981 4.340 -0.001 0.000 0.269 257 L C 0.475 177.387 176.870 0.070 0.000 1.034 257 L CA -0.849 54.015 54.840 0.040 0.000 0.806 257 L CB 1.907 43.989 42.059 0.038 0.000 1.244 257 L HN 0.084 nan 8.230 nan 0.000 0.447 258 S N 1.513 117.255 115.700 0.070 0.000 2.525 258 S HA 0.522 4.991 4.470 -0.001 0.000 0.290 258 S C -0.159 174.505 174.600 0.106 0.000 1.152 258 S CA -0.705 57.560 58.200 0.108 0.000 1.072 258 S CB 1.318 64.562 63.200 0.074 0.000 1.027 258 S HN 0.312 nan 8.310 nan 0.000 0.500 259 L N 2.426 123.753 121.223 0.173 0.000 2.514 259 L HA 0.101 4.441 4.340 -0.001 0.000 0.280 259 L C 1.505 178.407 176.870 0.053 0.000 1.223 259 L CA 0.162 55.087 54.840 0.142 0.000 0.864 259 L CB 0.110 42.342 42.059 0.289 0.000 1.118 259 L HN 0.955 nan 8.230 nan 0.000 0.494 260 T N -3.105 111.425 114.554 -0.041 0.000 3.041 260 T HA 0.223 4.572 4.350 -0.001 0.000 0.276 260 T C 1.022 175.626 174.700 -0.159 0.000 0.948 260 T CA 0.268 62.322 62.100 -0.076 0.000 0.885 260 T CB 0.667 69.504 68.868 -0.051 0.000 1.175 260 T HN 0.924 nan 8.240 nan 0.000 0.529 261 G N 1.949 110.429 108.800 -0.533 0.000 2.198 261 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.257 261 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.257 261 G C 0.103 174.666 174.900 -0.561 0.000 1.042 261 G CA 0.441 44.784 45.100 -1.262 0.000 0.791 261 G HN 1.396 nan 8.290 nan 0.000 0.502 262 S N -2.111 113.407 115.700 -0.303 0.000 2.759 262 S HA 0.744 5.213 4.470 -0.001 0.000 0.310 262 S C 1.493 176.170 174.600 0.129 0.000 1.123 262 S CA 0.661 58.859 58.200 -0.003 0.000 0.959 262 S CB 1.425 64.628 63.200 0.004 0.000 1.172 262 S HN 1.297 nan 8.310 nan 0.000 0.539 263 T N -0.823 113.823 114.554 0.154 0.000 3.139 263 T HA 0.007 4.357 4.350 -0.001 0.000 0.267 263 T C 1.207 175.994 174.700 0.145 0.000 1.164 263 T CA 0.615 62.824 62.100 0.181 0.000 1.075 263 T CB -0.600 68.359 68.868 0.151 0.000 0.904 263 T HN 0.353 nan 8.240 nan 0.000 0.540 264 L N 1.002 122.285 121.223 0.100 0.000 2.341 264 L HA 0.328 4.667 4.340 -0.001 0.000 0.214 264 L C 0.716 177.632 176.870 0.077 0.000 1.115 264 L CA 0.731 55.613 54.840 0.069 0.000 0.820 264 L CB -0.371 41.711 42.059 0.037 0.000 0.944 264 L HN 0.305 nan 8.230 nan 0.000 0.452 265 D N -0.929 119.538 120.400 0.111 0.000 2.332 265 D HA 0.392 5.032 4.640 -0.001 0.000 0.252 265 D C -0.026 176.380 176.300 0.177 0.000 1.050 265 D CA -0.402 53.672 54.000 0.124 0.000 0.970 265 D CB 1.855 42.719 40.800 0.108 0.000 1.141 265 D HN -0.106 nan 8.370 nan 0.000 0.485 266 L N 0.754 121.952 121.223 -0.042 0.000 2.360 266 L HA 0.505 4.845 4.340 -0.001 0.000 0.271 266 L C 0.707 177.329 176.870 -0.415 0.000 1.057 266 L CA -0.571 54.116 54.840 -0.255 0.000 0.803 266 L CB 0.985 42.607 42.059 -0.729 0.000 1.207 266 L HN 0.085 nan 8.230 nan 0.000 0.445 267 R N 0.131 120.352 120.500 -0.466 0.000 2.837 267 R HA 0.302 4.642 4.340 -0.001 0.000 0.271 267 R C -0.290 175.798 176.300 -0.353 0.000 0.993 267 R CA -0.797 54.906 56.100 -0.662 0.000 0.931 267 R CB 1.547 31.109 30.300 -1.231 0.000 1.206 267 R HN 0.347 nan 8.270 nan 0.000 0.474 268 Y N 0.012 120.186 120.300 -0.210 0.000 2.153 268 Y HA -0.015 4.535 4.550 -0.001 0.000 0.289 268 Y C 0.913 176.465 175.900 -0.580 0.000 1.127 268 Y CA 1.190 59.163 58.100 -0.211 0.000 1.131 268 Y CB 0.320 38.687 38.460 -0.156 0.000 0.995 268 Y HN 0.426 nan 8.280 nan 0.000 0.505 269 D N -2.083 117.892 120.400 -0.707 0.000 2.619 269 D HA 0.121 4.761 4.640 -0.001 0.000 0.241 269 D C -1.106 174.702 176.300 -0.821 0.000 1.087 269 D CA -0.558 52.932 54.000 -0.850 0.000 0.851 269 D CB 1.388 41.330 40.800 -1.430 0.000 1.474 269 D HN 0.047 nan 8.370 nan 0.000 0.478 270 Y N 0.831 120.895 120.300 -0.393 0.000 2.571 270 Y HA 0.307 4.857 4.550 -0.001 0.000 0.275 270 Y C 1.266 176.903 175.900 -0.438 0.000 1.179 270 Y CA -0.316 57.557 58.100 -0.377 0.000 1.242 270 Y CB 1.258 39.561 38.460 -0.261 0.000 1.126 270 Y HN 0.389 nan 8.280 nan 0.000 0.524 271 G N -1.073 107.439 108.800 -0.480 0.000 3.247 271 G HA2 0.185 4.145 3.960 -0.001 0.000 0.163 271 G HA3 0.185 4.145 3.960 -0.001 0.000 0.163 271 G C -0.588 173.880 174.900 -0.719 0.000 1.206 271 G CA -0.516 43.998 45.100 -0.976 0.000 0.918 271 G HN -0.189 nan 8.290 nan 0.000 0.625 272 Q N 0.390 119.834 119.800 -0.592 0.000 2.369 272 Q HA 0.461 4.801 4.340 -0.001 0.000 0.247 272 Q C -1.825 174.134 176.000 -0.068 0.000 1.083 272 Q CA 0.054 55.677 55.803 -0.299 0.000 0.905 272 Q CB 0.729 29.309 28.738 -0.262 0.000 1.305 272 Q HN 0.289 nan 8.270 nan 0.000 0.465 273 F N 3.569 123.383 119.950 -0.227 0.000 2.749 273 F HA 0.334 4.861 4.527 -0.001 0.000 0.339 273 F C -1.886 173.923 175.800 0.015 0.000 1.211 273 F CA -0.804 57.120 58.000 -0.126 0.000 1.099 273 F CB 1.135 40.046 39.000 -0.147 0.000 1.359 273 F HN 0.397 nan 8.300 nan 0.000 0.549 274 Y N 3.572 123.726 120.300 -0.243 0.000 2.638 274 Y HA 0.553 5.103 4.550 -0.001 0.000 0.335 274 Y C 0.159 176.081 175.900 0.038 0.000 1.155 274 Y CA -0.615 57.438 58.100 -0.080 0.000 1.046 274 Y CB 2.220 40.615 38.460 -0.109 0.000 1.303 274 Y HN 0.970 nan 8.280 nan 0.000 0.460 275 A N 1.601 124.029 122.820 -0.653 0.000 2.832 275 A HA -0.174 4.146 4.320 -0.001 0.000 0.280 275 A C 0.251 177.776 177.584 -0.099 0.000 1.464 275 A CA 0.972 52.832 52.037 -0.294 0.000 0.804 275 A CB -2.558 16.475 19.000 0.055 0.000 1.020 275 A HN 1.478 nan 8.150 nan 0.000 0.563 276 S N -0.818 114.819 115.700 -0.105 0.000 2.560 276 S HA 0.503 4.972 4.470 -0.001 0.000 0.284 276 S C -0.175 174.486 174.600 0.103 0.000 1.327 276 S CA 0.538 58.728 58.200 -0.017 0.000 1.055 276 S CB 1.523 64.775 63.200 0.087 0.000 0.868 276 S HN 0.974 nan 8.310 nan 0.000 0.506 277 K N 0.956 121.437 120.400 0.136 0.000 2.498 277 K HA 0.505 4.825 4.320 -0.001 0.000 0.254 277 K C -0.988 175.752 176.600 0.233 0.000 0.933 277 K CA -0.511 55.891 56.287 0.191 0.000 0.806 277 K CB 1.931 34.534 32.500 0.172 0.000 1.301 277 K HN 0.897 nan 8.250 nan 0.000 0.432 278 S N 2.283 118.095 115.700 0.187 0.000 2.638 278 S HA 0.836 5.306 4.470 -0.001 0.000 0.302 278 S C -0.715 174.060 174.600 0.292 0.000 1.096 278 S CA -0.759 57.511 58.200 0.117 0.000 0.953 278 S CB 0.862 63.906 63.200 -0.260 0.000 1.107 278 S HN 0.558 nan 8.310 nan 0.000 0.503 279 F N -1.044 118.983 119.950 0.127 0.000 2.645 279 F HA 0.803 5.330 4.527 -0.000 0.000 0.310 279 F C -1.487 174.455 175.800 0.236 0.000 1.102 279 F CA -1.690 56.441 58.000 0.219 0.000 0.952 279 F CB 0.902 40.079 39.000 0.296 0.000 1.326 279 F HN 0.606 nan 8.300 nan 0.000 0.456 280 F N 2.764 122.814 119.950 0.167 0.000 2.404 280 F HA 0.402 4.929 4.527 -0.001 0.000 0.345 280 F C -0.309 175.594 175.800 0.171 0.000 1.110 280 F CA -0.661 57.368 58.000 0.048 0.000 1.130 280 F CB 0.846 39.920 39.000 0.123 0.000 1.129 280 F HN 0.634 nan 8.300 nan 0.000 0.500 281 D N 5.682 125.628 120.400 -0.758 0.000 2.443 281 D HA 0.076 4.715 4.640 -0.001 0.000 0.221 281 D C 0.517 176.221 176.300 -0.992 0.000 1.097 281 D CA -0.245 53.471 54.000 -0.474 0.000 0.865 281 D CB 0.598 41.280 40.800 -0.198 0.000 1.034 281 D HN 0.721 nan 8.370 nan 0.000 0.511 282 D N 2.540 122.491 120.400 -0.749 0.000 2.363 282 D HA -0.095 4.545 4.640 -0.001 0.000 0.220 282 D C 1.235 177.437 176.300 -0.164 0.000 0.994 282 D CA 0.102 53.828 54.000 -0.456 0.000 0.890 282 D CB 0.217 41.061 40.800 0.074 0.000 0.906 282 D HN 0.310 nan 8.370 nan 0.000 0.530 283 A N 0.875 123.609 122.820 -0.143 0.000 1.930 283 A HA -0.026 4.293 4.320 -0.001 0.000 0.215 283 A C 2.042 179.597 177.584 -0.050 0.000 1.176 283 A CA 0.704 52.705 52.037 -0.060 0.000 0.632 283 A CB 0.032 19.009 19.000 -0.039 0.000 0.819 283 A HN -0.013 nan 8.150 nan 0.000 0.445 284 K N -0.177 120.176 120.400 -0.077 0.000 2.358 284 K HA 0.122 4.441 4.320 -0.001 0.000 0.200 284 K C -0.408 176.147 176.600 -0.074 0.000 1.030 284 K CA -0.181 56.071 56.287 -0.058 0.000 1.097 284 K CB 0.131 32.608 32.500 -0.039 0.000 0.862 284 K HN 0.475 nan 8.250 nan 0.000 0.534 285 N N 2.434 121.057 118.700 -0.128 0.000 2.696 285 N HA -0.207 4.532 4.740 -0.001 0.000 0.256 285 N C -0.652 174.901 175.510 0.072 0.000 1.031 285 N CA 0.950 54.014 53.050 0.023 0.000 0.730 285 N CB -0.753 37.808 38.487 0.122 0.000 0.894 285 N HN 0.512 nan 8.380 nan 0.000 0.544 286 R N -1.243 119.212 120.500 -0.075 0.000 2.740 286 R HA 0.592 4.931 4.340 -0.001 0.000 0.273 286 R C -0.665 175.612 176.300 -0.040 0.000 0.998 286 R CA -1.094 55.007 56.100 0.000 0.000 0.900 286 R CB 1.935 32.199 30.300 -0.059 0.000 1.223 286 R HN 0.127 nan 8.270 nan 0.000 0.466 287 R N 2.025 122.537 120.500 0.020 0.000 2.265 287 R HA 0.422 4.761 4.340 -0.001 0.000 0.319 287 R C -1.165 174.971 176.300 -0.272 0.000 1.006 287 R CA -0.548 55.489 56.100 -0.105 0.000 0.880 287 R CB 1.574 31.822 30.300 -0.086 0.000 1.077 287 R HN 0.494 nan 8.270 nan 0.000 0.454 288 V N 5.918 125.501 119.914 -0.551 0.000 2.483 288 V HA 0.382 4.502 4.120 -0.001 0.000 0.295 288 V C -0.615 175.251 176.094 -0.380 0.000 1.035 288 V CA -0.920 61.051 62.300 -0.548 0.000 0.896 288 V CB 1.490 32.836 31.823 -0.795 0.000 0.986 288 V HN 0.625 nan 8.190 nan 0.000 0.447 289 L N 4.722 125.762 121.223 -0.306 0.000 2.322 289 L HA 0.658 4.998 4.340 -0.001 0.000 0.281 289 L C -1.272 175.487 176.870 -0.184 0.000 1.014 289 L CA -0.116 54.606 54.840 -0.197 0.000 0.815 289 L CB 1.429 43.315 42.059 -0.288 0.000 1.247 289 L HN 0.664 nan 8.230 nan 0.000 0.421 290 W N 4.408 125.694 121.300 -0.023 0.000 2.627 290 W HA 0.831 5.490 4.660 -0.000 0.000 0.339 290 W C -0.468 175.962 176.519 -0.149 0.000 1.058 290 W CA -0.454 56.865 57.345 -0.043 0.000 1.223 290 W CB 2.207 31.727 29.460 0.100 0.000 1.389 290 W HN 0.745 nan 8.180 nan 0.000 0.541 291 A N 2.108 124.956 122.820 0.045 0.000 2.547 291 A HA 0.497 4.816 4.320 -0.001 0.000 0.297 291 A C -2.228 175.302 177.584 -0.089 0.000 1.056 291 A CA -0.764 51.081 52.037 -0.320 0.000 0.688 291 A CB 0.523 18.620 19.000 -1.505 0.000 1.282 291 A HN 0.636 nan 8.150 nan 0.000 0.400 292 W N 2.977 124.157 121.300 -0.200 0.000 2.287 292 W HA 0.540 5.199 4.660 -0.001 0.000 0.313 292 W C -1.254 175.203 176.519 -0.104 0.000 1.267 292 W CA -0.430 56.863 57.345 -0.087 0.000 1.201 292 W CB 1.023 30.465 29.460 -0.031 0.000 1.196 292 W HN 0.426 nan 8.180 nan 0.000 0.536 293 V N 9.975 129.760 119.914 -0.215 0.000 2.304 293 V HA 0.244 4.364 4.120 -0.001 0.000 0.278 293 V C -1.820 173.944 176.094 -0.549 0.000 1.018 293 V CA -1.989 60.091 62.300 -0.366 0.000 0.814 293 V CB 0.828 32.586 31.823 -0.107 0.000 1.021 293 V HN 0.464 nan 8.190 nan 0.000 0.440 294 P HA 0.114 nan 4.420 nan 0.000 0.271 294 P C -0.077 177.083 177.300 -0.233 0.000 1.244 294 P CA -0.164 62.521 63.100 -0.692 0.000 0.793 294 P CB 0.627 31.819 31.700 -0.847 0.000 0.984 295 E N -0.027 120.114 120.200 -0.097 0.000 2.349 295 E HA 0.175 4.525 4.350 -0.001 0.000 0.265 295 E C 0.564 177.163 176.600 -0.001 0.000 1.064 295 E CA 0.265 56.662 56.400 -0.005 0.000 0.886 295 E CB 0.394 30.053 29.700 -0.070 0.000 1.036 295 E HN 0.453 nan 8.360 nan 0.000 0.413 296 T N -2.663 111.954 114.554 0.105 0.000 3.145 296 T HA 0.086 4.436 4.350 -0.001 0.000 0.281 296 T C 0.083 174.716 174.700 -0.111 0.000 1.003 296 T CA -0.586 61.549 62.100 0.060 0.000 0.901 296 T CB -0.016 68.948 68.868 0.159 0.000 1.112 296 T HN 0.341 nan 8.240 nan 0.000 0.535 297 D N 1.889 122.029 120.400 -0.434 0.000 2.539 297 D HA 0.470 5.110 4.640 -0.001 0.000 0.276 297 D C 0.331 176.429 176.300 -0.336 0.000 1.206 297 D CA -0.585 53.021 54.000 -0.657 0.000 1.081 297 D CB 0.577 40.621 40.800 -1.259 0.000 1.142 297 D HN 0.243 nan 8.370 nan 0.000 0.595 298 S N -1.958 113.570 115.700 -0.287 0.000 2.652 298 S HA 0.099 4.569 4.470 -0.001 0.000 0.270 298 S C 1.077 175.598 174.600 -0.131 0.000 1.243 298 S CA -0.450 57.653 58.200 -0.162 0.000 0.999 298 S CB 1.470 64.593 63.200 -0.128 0.000 0.973 298 S HN 0.633 nan 8.310 nan 0.000 0.544 299 Q N 0.924 120.686 119.800 -0.063 0.000 2.124 299 Q HA -0.123 4.217 4.340 -0.001 0.000 0.202 299 Q C 2.125 178.096 176.000 -0.047 0.000 0.977 299 Q CA 1.641 57.429 55.803 -0.024 0.000 0.850 299 Q CB -0.768 27.970 28.738 0.000 0.000 0.901 299 Q HN 0.941 nan 8.270 nan 0.000 0.429 300 A N 0.988 123.772 122.820 -0.060 0.000 1.933 300 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 300 A C 1.704 179.238 177.584 -0.084 0.000 1.175 300 A CA 1.723 53.725 52.037 -0.058 0.000 0.628 300 A CB -0.577 18.391 19.000 -0.053 0.000 0.814 300 A HN 0.489 nan 8.150 nan 0.000 0.444 301 D N 0.311 120.631 120.400 -0.133 0.000 2.117 301 D HA -0.132 4.508 4.640 -0.001 0.000 0.197 301 D C 1.277 177.453 176.300 -0.207 0.000 0.987 301 D CA 1.439 55.327 54.000 -0.187 0.000 0.829 301 D CB -0.365 40.251 40.800 -0.307 0.000 0.961 301 D HN 0.402 nan 8.370 nan 0.000 0.460 302 D N 0.737 121.017 120.400 -0.200 0.000 2.084 302 D HA -0.091 4.549 4.640 -0.001 0.000 0.194 302 D C 2.372 178.609 176.300 -0.106 0.000 0.990 302 D CA 0.447 54.328 54.000 -0.199 0.000 0.826 302 D CB -0.406 40.348 40.800 -0.077 0.000 0.971 302 D HN 0.265 nan 8.370 nan 0.000 0.453 303 I N 1.040 121.584 120.570 -0.043 0.000 2.264 303 I HA -0.219 3.951 4.170 -0.001 0.000 0.248 303 I C 2.478 178.589 176.117 -0.010 0.000 1.111 303 I CA 1.013 62.309 61.300 -0.007 0.000 1.382 303 I CB -0.143 37.855 38.000 -0.004 0.000 1.060 303 I HN -0.022 nan 8.210 nan 0.000 0.418 304 E N 2.072 122.253 120.200 -0.033 0.000 2.047 304 E HA -0.232 4.118 4.350 -0.001 0.000 0.191 304 E C 2.012 178.613 176.600 0.002 0.000 0.987 304 E CA 1.474 57.865 56.400 -0.015 0.000 0.799 304 E CB 0.011 29.695 29.700 -0.025 0.000 0.752 304 E HN 0.599 nan 8.360 nan 0.000 0.449 305 K N -1.089 119.288 120.400 -0.038 0.000 2.459 305 K HA 0.071 4.390 4.320 -0.001 0.000 0.193 305 K C 1.273 177.932 176.600 0.099 0.000 1.030 305 K CA 0.929 57.225 56.287 0.014 0.000 1.026 305 K CB 0.106 32.565 32.500 -0.068 0.000 0.809 305 K HN 0.162 nan 8.250 nan 0.000 0.504 306 G N 1.194 110.028 108.800 0.056 0.000 2.179 306 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.260 306 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.260 306 G C -0.258 174.799 174.900 0.262 0.000 0.977 306 G CA 0.552 45.743 45.100 0.151 0.000 0.641 306 G HN 0.551 nan 8.290 nan 0.000 0.533 307 W N -1.568 119.770 121.300 0.063 0.000 3.074 307 W HA 0.807 5.467 4.660 -0.001 0.000 0.332 307 W C -0.584 175.984 176.519 0.082 0.000 1.253 307 W CA -1.438 55.948 57.345 0.068 0.000 1.180 307 W CB 1.132 30.604 29.460 0.019 0.000 1.445 307 W HN 1.227 nan 8.180 nan 0.000 0.573 308 A N 1.536 124.519 122.820 0.273 0.000 2.532 308 A HA 0.744 5.064 4.320 -0.001 0.000 0.296 308 A C -0.263 177.365 177.584 0.074 0.000 1.058 308 A CA 0.069 52.125 52.037 0.032 0.000 0.729 308 A CB 0.672 19.720 19.000 0.080 0.000 1.285 308 A HN 2.437 nan 8.150 nan 0.000 0.396 309 G N 0.141 109.030 108.800 0.149 0.000 2.906 309 G HA2 0.412 4.372 3.960 -0.001 0.000 0.686 309 G HA3 0.412 4.372 3.960 -0.001 0.000 0.686 309 G C -1.217 173.853 174.900 0.283 0.000 1.170 309 G CA -0.354 44.874 45.100 0.215 0.000 0.775 309 G HN 1.332 nan 8.290 nan 0.000 0.630 310 L N 1.452 122.838 121.223 0.273 0.000 2.341 310 L HA 0.718 5.057 4.340 -0.001 0.000 0.254 310 L C -0.293 176.724 176.870 0.245 0.000 1.040 310 L CA -1.284 53.666 54.840 0.182 0.000 0.837 310 L CB 2.198 44.323 42.059 0.109 0.000 1.425 310 L HN 0.534 nan 8.230 nan 0.000 0.414 311 Q N 0.622 120.565 119.800 0.238 0.000 2.342 311 Q HA 0.412 4.752 4.340 -0.001 0.000 0.267 311 Q C -0.605 175.584 176.000 0.314 0.000 1.038 311 Q CA -0.471 55.499 55.803 0.278 0.000 0.832 311 Q CB 2.311 31.208 28.738 0.264 0.000 1.323 311 Q HN 0.748 nan 8.270 nan 0.000 0.448 312 S N 0.805 116.651 115.700 0.244 0.000 2.589 312 S HA 0.343 4.812 4.470 -0.001 0.000 0.265 312 S C 0.082 174.816 174.600 0.223 0.000 1.342 312 S CA -0.583 57.801 58.200 0.307 0.000 1.005 312 S CB 0.370 63.738 63.200 0.279 0.000 0.909 312 S HN 0.457 nan 8.310 nan 0.000 0.555 313 F N 3.553 123.541 119.950 0.063 0.000 2.495 313 F HA 0.340 4.867 4.527 -0.001 0.000 0.365 313 F C -1.927 173.701 175.800 -0.286 0.000 1.090 313 F CA -2.168 55.716 58.000 -0.193 0.000 1.235 313 F CB 0.293 39.165 39.000 -0.213 0.000 1.119 313 F HN 0.389 nan 8.300 nan 0.000 0.562 314 P HA -0.005 nan 4.420 nan 0.000 0.262 314 P C -1.274 175.669 177.300 -0.594 0.000 1.182 314 P CA 0.263 62.659 63.100 -1.174 0.000 0.761 314 P CB 0.291 31.019 31.700 -1.621 0.000 0.795 315 R N 1.978 122.270 120.500 -0.346 0.000 2.740 315 R HA 0.780 5.120 4.340 -0.001 0.000 0.282 315 R C -0.602 175.625 176.300 -0.122 0.000 0.969 315 R CA -1.270 54.744 56.100 -0.143 0.000 0.918 315 R CB 1.328 31.635 30.300 0.012 0.000 1.175 315 R HN 0.350 nan 8.270 nan 0.000 0.464 316 A N 2.366 125.198 122.820 0.021 0.000 2.425 316 A HA 0.411 4.731 4.320 -0.001 0.000 0.249 316 A C -0.634 177.038 177.584 0.148 0.000 1.084 316 A CA -0.482 51.632 52.037 0.129 0.000 0.781 316 A CB 0.405 19.603 19.000 0.331 0.000 1.019 316 A HN 0.582 nan 8.150 nan 0.000 0.490 317 L N 3.048 124.342 121.223 0.119 0.000 2.385 317 L HA 0.880 5.219 4.340 -0.001 0.000 0.273 317 L C -0.971 176.027 176.870 0.214 0.000 0.990 317 L CA -0.163 54.677 54.840 -0.001 0.000 0.821 317 L CB 1.328 43.309 42.059 -0.130 0.000 1.279 317 L HN 0.921 nan 8.230 nan 0.000 0.412 318 W N 4.081 125.397 121.300 0.026 0.000 3.025 318 W HA 0.633 5.293 4.660 0.000 0.000 0.343 318 W C -1.900 174.652 176.519 0.056 0.000 1.246 318 W CA -1.174 56.192 57.345 0.036 0.000 1.178 318 W CB 0.385 29.857 29.460 0.021 0.000 1.463 318 W HN 0.595 nan 8.180 nan 0.000 0.578 319 I N 2.517 123.251 120.570 0.273 0.000 2.440 319 I HA 0.176 4.346 4.170 -0.001 0.000 0.294 319 I C 0.227 176.491 176.117 0.245 0.000 0.995 319 I CA -0.237 61.162 61.300 0.164 0.000 1.306 319 I CB 0.818 38.908 38.000 0.150 0.000 1.407 319 I HN 0.628 nan 8.210 nan 0.000 0.501 320 D N 5.146 125.632 120.400 0.143 0.000 2.378 320 D HA -0.015 4.625 4.640 -0.001 0.000 0.238 320 D C 1.471 177.870 176.300 0.164 0.000 1.180 320 D CA -0.181 53.920 54.000 0.167 0.000 0.895 320 D CB 0.851 41.717 40.800 0.111 0.000 1.192 320 D HN 0.445 nan 8.370 nan 0.000 0.438 321 R N 2.490 123.082 120.500 0.152 0.000 2.139 321 R HA -0.226 4.113 4.340 -0.001 0.000 0.243 321 R C 0.843 177.196 176.300 0.089 0.000 1.145 321 R CA 1.706 57.871 56.100 0.109 0.000 0.976 321 R CB -1.242 29.109 30.300 0.084 0.000 0.866 321 R HN 0.608 nan 8.270 nan 0.000 0.449 322 N N 0.146 118.899 118.700 0.089 0.000 2.467 322 N HA 0.032 4.771 4.740 -0.001 0.000 0.184 322 N C 1.189 176.748 175.510 0.081 0.000 1.106 322 N CA 0.888 53.983 53.050 0.076 0.000 0.892 322 N CB -0.113 38.417 38.487 0.072 0.000 0.969 322 N HN 0.457 nan 8.380 nan 0.000 0.454 323 G N 0.129 108.986 108.800 0.095 0.000 2.180 323 G HA2 -0.387 3.573 3.960 -0.001 0.000 0.263 323 G HA3 -0.387 3.573 3.960 -0.001 0.000 0.263 323 G C 0.794 175.756 174.900 0.104 0.000 0.989 323 G CA 0.895 46.055 45.100 0.099 0.000 0.692 323 G HN 0.540 nan 8.290 nan 0.000 0.526 324 K N -0.380 120.083 120.400 0.105 0.000 2.361 324 K HA 0.203 4.523 4.320 -0.001 0.000 0.194 324 K C 1.127 177.813 176.600 0.144 0.000 1.032 324 K CA 1.073 57.425 56.287 0.109 0.000 1.048 324 K CB 0.335 32.887 32.500 0.087 0.000 0.842 324 K HN 0.817 nan 8.250 nan 0.000 0.526 325 Q N -0.541 119.357 119.800 0.164 0.000 2.630 325 Q HA 0.370 4.710 4.340 -0.001 0.000 0.295 325 Q C -1.465 174.645 176.000 0.184 0.000 0.944 325 Q CA -1.072 54.871 55.803 0.233 0.000 0.766 325 Q CB 0.845 29.707 28.738 0.207 0.000 1.471 325 Q HN -0.211 nan 8.270 nan 0.000 0.416 326 L N 1.084 122.435 121.223 0.212 0.000 2.360 326 L HA 0.536 4.875 4.340 -0.001 0.000 0.271 326 L C -0.569 176.243 176.870 -0.096 0.000 1.057 326 L CA -0.672 54.165 54.840 -0.004 0.000 0.803 326 L CB 1.451 43.412 42.059 -0.163 0.000 1.207 326 L HN 0.632 nan 8.230 nan 0.000 0.445 327 I N 1.673 122.003 120.570 -0.400 0.000 2.569 327 I HA 0.459 4.629 4.170 -0.001 0.000 0.296 327 I C -0.304 175.357 176.117 -0.760 0.000 1.028 327 I CA -0.622 60.308 61.300 -0.617 0.000 1.082 327 I CB 1.813 39.183 38.000 -1.050 0.000 1.264 327 I HN 0.587 nan 8.210 nan 0.000 0.429 328 Q N 4.619 124.202 119.800 -0.362 0.000 2.394 328 Q HA 0.547 4.887 4.340 -0.001 0.000 0.273 328 Q C -1.586 174.504 176.000 0.150 0.000 1.089 328 Q CA -0.645 55.071 55.803 -0.144 0.000 0.812 328 Q CB 3.409 32.177 28.738 0.050 0.000 1.353 328 Q HN 0.644 nan 8.270 nan 0.000 0.438 329 W N 3.688 124.902 121.300 -0.144 0.000 3.573 329 W HA 0.275 4.935 4.660 -0.000 0.000 0.306 329 W C -2.970 173.444 176.519 -0.175 0.000 1.227 329 W CA -1.842 55.377 57.345 -0.209 0.000 1.212 329 W CB 1.789 31.302 29.460 0.089 0.000 1.331 329 W HN 0.458 nan 8.180 nan 0.000 0.524 330 P HA -0.022 nan 4.420 nan 0.000 0.265 330 P C 0.243 177.492 177.300 -0.085 0.000 1.193 330 P CA 0.432 63.362 63.100 -0.282 0.000 0.765 330 P CB 0.715 32.150 31.700 -0.442 0.000 0.823 331 V N 1.687 121.621 119.914 0.033 0.000 2.720 331 V HA -0.104 4.015 4.120 -0.001 0.000 0.307 331 V C 1.895 178.004 176.094 0.025 0.000 1.071 331 V CA 0.275 62.580 62.300 0.008 0.000 1.199 331 V CB -0.653 31.095 31.823 -0.126 0.000 0.900 331 V HN 0.768 nan 8.190 nan 0.000 0.494 332 E N 1.738 121.940 120.200 0.004 0.000 2.233 332 E HA -0.323 4.027 4.350 -0.001 0.000 0.199 332 E C 1.430 177.987 176.600 -0.072 0.000 1.004 332 E CA 1.942 58.324 56.400 -0.031 0.000 0.819 332 E CB -0.232 29.451 29.700 -0.028 0.000 0.738 332 E HN 0.881 nan 8.360 nan 0.000 0.478 333 E N 0.958 121.126 120.200 -0.053 0.000 2.219 333 E HA -0.126 4.224 4.350 -0.001 0.000 0.198 333 E C 1.899 178.455 176.600 -0.075 0.000 0.998 333 E CA 1.014 57.375 56.400 -0.064 0.000 0.818 333 E CB -0.285 29.372 29.700 -0.071 0.000 0.741 333 E HN 0.465 nan 8.360 nan 0.000 0.477 334 I N 0.699 121.229 120.570 -0.065 0.000 2.493 334 I HA -0.272 3.898 4.170 -0.001 0.000 0.254 334 I C 1.472 177.369 176.117 -0.367 0.000 1.160 334 I CA 1.186 62.319 61.300 -0.279 0.000 1.445 334 I CB 0.061 37.661 38.000 -0.668 0.000 1.086 334 I HN 0.116 nan 8.210 nan 0.000 0.433 335 E N 0.468 120.479 120.200 -0.316 0.000 2.265 335 E HA -0.219 4.130 4.350 -0.001 0.000 0.196 335 E C 1.607 178.006 176.600 -0.333 0.000 0.996 335 E CA 0.732 56.904 56.400 -0.381 0.000 0.832 335 E CB 0.033 29.537 29.700 -0.326 0.000 0.756 335 E HN 0.460 nan 8.360 nan 0.000 0.491 336 E N 0.153 120.210 120.200 -0.239 0.000 2.478 336 E HA -0.093 4.257 4.350 -0.001 0.000 0.198 336 E C 1.687 178.174 176.600 -0.189 0.000 1.046 336 E CA 0.512 56.800 56.400 -0.186 0.000 0.870 336 E CB 0.125 29.744 29.700 -0.135 0.000 0.818 336 E HN 0.396 nan 8.360 nan 0.000 0.527 337 L N 0.068 121.142 121.223 -0.247 0.000 2.509 337 L HA 0.078 4.418 4.340 -0.001 0.000 0.222 337 L C 0.917 177.654 176.870 -0.222 0.000 1.123 337 L CA 0.008 54.709 54.840 -0.232 0.000 0.856 337 L CB 0.079 41.944 42.059 -0.324 0.000 0.985 337 L HN -0.163 nan 8.230 nan 0.000 0.456 338 R N 0.677 121.004 120.500 -0.289 0.000 2.522 338 R HA 0.012 4.352 4.340 -0.001 0.000 0.284 338 R C 0.371 176.627 176.300 -0.073 0.000 1.032 338 R CA -0.033 55.914 56.100 -0.254 0.000 1.049 338 R CB 0.658 30.556 30.300 -0.669 0.000 0.956 338 R HN 0.158 nan 8.270 nan 0.000 0.422 339 Q N 1.787 121.624 119.800 0.062 0.000 3.081 339 Q HA 0.108 4.447 4.340 -0.001 0.000 0.219 339 Q C 0.230 176.328 176.000 0.163 0.000 1.169 339 Q CA -0.074 55.777 55.803 0.079 0.000 0.309 339 Q CB -0.361 28.408 28.738 0.051 0.000 5.821 339 Q HN 0.659 nan 8.270 nan 0.000 0.320 340 N N 1.284 120.054 118.700 0.116 0.000 2.444 340 N HA -0.004 4.736 4.740 -0.001 0.000 0.255 340 N C -0.507 175.048 175.510 0.075 0.000 1.255 340 N CA 0.099 53.201 53.050 0.086 0.000 0.933 340 N CB 1.457 39.962 38.487 0.030 0.000 1.143 340 N HN 0.273 nan 8.380 nan 0.000 0.453 341 Q N 0.533 120.308 119.800 -0.042 0.000 2.365 341 Q HA 0.491 4.831 4.340 -0.001 0.000 0.269 341 Q C -1.799 174.044 176.000 -0.261 0.000 1.061 341 Q CA -0.895 54.718 55.803 -0.317 0.000 0.816 341 Q CB 1.918 30.372 28.738 -0.474 0.000 1.325 341 Q HN 0.496 nan 8.270 nan 0.000 0.446 342 V N 3.508 123.228 119.914 -0.323 0.000 2.487 342 V HA 0.443 4.563 4.120 -0.001 0.000 0.298 342 V C -0.723 175.213 176.094 -0.263 0.000 1.028 342 V CA -0.756 61.416 62.300 -0.213 0.000 0.860 342 V CB 1.820 33.557 31.823 -0.142 0.000 0.991 342 V HN 0.796 nan 8.190 nan 0.000 0.427 343 N N 3.521 122.104 118.700 -0.195 0.000 2.328 343 N HA 0.825 5.565 4.740 -0.001 0.000 0.299 343 N C -1.565 173.877 175.510 -0.113 0.000 1.179 343 N CA -0.527 52.413 53.050 -0.184 0.000 0.793 343 N CB 1.813 40.196 38.487 -0.174 0.000 1.366 343 N HN 0.596 nan 8.380 nan 0.000 0.493 344 L N 1.253 122.415 121.223 -0.102 0.000 2.445 344 L HA 0.518 4.858 4.340 -0.001 0.000 0.262 344 L C -0.984 175.847 176.870 -0.065 0.000 0.974 344 L CA -0.676 54.123 54.840 -0.067 0.000 0.822 344 L CB 2.323 44.351 42.059 -0.052 0.000 1.339 344 L HN 0.495 nan 8.230 nan 0.000 0.409 345 Q N 1.162 120.933 119.800 -0.048 0.000 2.377 345 Q HA 0.272 4.611 4.340 -0.001 0.000 0.279 345 Q C -0.660 175.320 176.000 -0.033 0.000 1.049 345 Q CA -1.016 54.761 55.803 -0.045 0.000 0.825 345 Q CB 2.447 31.160 28.738 -0.041 0.000 1.401 345 Q HN 0.614 nan 8.270 nan 0.000 0.404 346 N N 1.384 120.064 118.700 -0.033 0.000 2.705 346 N HA -0.223 4.517 4.740 -0.001 0.000 0.255 346 N C -1.586 173.913 175.510 -0.018 0.000 1.008 346 N CA 0.837 53.872 53.050 -0.025 0.000 0.742 346 N CB -0.271 38.203 38.487 -0.022 0.000 0.906 346 N HN 0.372 nan 8.380 nan 0.000 0.541 347 K N 0.956 121.347 120.400 -0.015 0.000 2.307 347 K HA 0.408 4.728 4.320 -0.001 0.000 0.263 347 K C -0.789 175.815 176.600 0.007 0.000 0.973 347 K CA -0.771 55.515 56.287 -0.002 0.000 0.846 347 K CB 0.586 33.089 32.500 0.005 0.000 1.100 347 K HN 0.188 nan 8.250 nan 0.000 0.438 348 N N 4.409 123.111 118.700 0.005 0.000 2.514 348 N HA 0.230 4.969 4.740 -0.001 0.000 0.277 348 N C -0.807 174.712 175.510 0.015 0.000 1.126 348 N CA -0.175 52.875 53.050 0.001 0.000 0.978 348 N CB 0.851 39.332 38.487 -0.009 0.000 1.106 348 N HN 0.498 nan 8.380 nan 0.000 0.461 349 L N 3.410 124.639 121.223 0.009 0.000 2.313 349 L HA 0.269 4.609 4.340 -0.001 0.000 0.273 349 L C 0.687 177.553 176.870 -0.008 0.000 1.028 349 L CA -0.806 54.047 54.840 0.021 0.000 0.871 349 L CB 0.606 42.689 42.059 0.040 0.000 1.242 349 L HN 0.346 nan 8.230 nan 0.000 0.434 350 K N 2.423 122.825 120.400 0.003 0.000 2.276 350 K HA 0.358 4.678 4.320 -0.001 0.000 0.259 350 K C -2.549 174.048 176.600 -0.005 0.000 1.001 350 K CA -1.789 54.494 56.287 -0.006 0.000 0.927 350 K CB -0.194 32.307 32.500 0.001 0.000 0.969 350 K HN 0.092 nan 8.250 nan 0.000 0.490 351 P HA -0.095 nan 4.420 nan 0.000 0.261 351 P C 0.408 177.712 177.300 0.006 0.000 1.173 351 P CA 1.444 64.538 63.100 -0.010 0.000 0.760 351 P CB 0.302 31.994 31.700 -0.013 0.000 0.783 352 G N 1.943 110.753 108.800 0.017 0.000 2.203 352 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.263 352 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.263 352 G C 0.288 175.214 174.900 0.043 0.000 1.012 352 G CA 0.384 45.502 45.100 0.031 0.000 0.749 352 G HN 0.768 nan 8.290 nan 0.000 0.512 353 S N -1.690 114.046 115.700 0.060 0.000 2.687 353 S HA 0.826 5.295 4.470 -0.001 0.000 0.283 353 S C -0.331 174.343 174.600 0.123 0.000 1.170 353 S CA -0.467 57.776 58.200 0.071 0.000 1.008 353 S CB 3.097 66.334 63.200 0.062 0.000 1.026 353 S HN 1.036 nan 8.310 nan 0.000 0.541 354 V N 2.065 122.046 119.914 0.112 0.000 2.567 354 V HA 0.462 4.582 4.120 -0.001 0.000 0.298 354 V C -1.197 175.019 176.094 0.203 0.000 1.047 354 V CA -0.597 61.792 62.300 0.149 0.000 0.880 354 V CB 1.329 33.143 31.823 -0.015 0.000 1.009 354 V HN 0.885 nan 8.190 nan 0.000 0.429 355 L N 4.351 125.739 121.223 0.276 0.000 2.287 355 L HA 0.619 4.958 4.340 -0.001 0.000 0.287 355 L C 0.048 177.106 176.870 0.312 0.000 1.022 355 L CA 0.079 55.072 54.840 0.256 0.000 0.814 355 L CB 1.551 43.718 42.059 0.181 0.000 1.217 355 L HN 0.815 nan 8.230 nan 0.000 0.420 356 E N 4.891 125.237 120.200 0.244 0.000 2.283 356 E HA 0.309 4.659 4.350 -0.001 0.000 0.278 356 E C -0.957 175.507 176.600 -0.226 0.000 1.027 356 E CA -0.710 55.613 56.400 -0.129 0.000 0.843 356 E CB 0.837 30.374 29.700 -0.271 0.000 1.062 356 E HN 0.522 nan 8.360 nan 0.000 0.401 357 I N 5.414 125.770 120.570 -0.356 0.000 2.312 357 I HA 0.179 4.349 4.170 -0.001 0.000 0.291 357 I C 0.230 176.138 176.117 -0.349 0.000 1.031 357 I CA -0.300 60.867 61.300 -0.223 0.000 1.293 357 I CB 0.283 38.189 38.000 -0.156 0.000 1.403 357 I HN 0.581 nan 8.210 nan 0.000 0.484 358 H N 3.651 122.663 119.070 -0.096 0.000 2.502 358 H HA 0.391 4.947 4.556 -0.001 0.000 0.338 358 H C 0.988 176.268 175.328 -0.081 0.000 1.155 358 H CA 0.212 56.209 56.048 -0.086 0.000 1.237 358 H CB 2.010 31.739 29.762 -0.056 0.000 1.534 358 H HN 0.849 nan 8.280 nan 0.000 0.523 359 G N 1.673 110.501 108.800 0.046 0.000 2.136 359 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.242 359 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.242 359 G C -0.166 174.715 174.900 -0.031 0.000 0.989 359 G CA -0.151 44.951 45.100 0.003 0.000 0.682 359 G HN 0.373 nan 8.290 nan 0.000 0.522 360 I N 0.400 120.935 120.570 -0.059 0.000 2.569 360 I HA 0.653 4.822 4.170 -0.001 0.000 0.296 360 I C 0.762 176.842 176.117 -0.062 0.000 1.028 360 I CA -1.062 60.204 61.300 -0.056 0.000 1.082 360 I CB 1.755 39.713 38.000 -0.070 0.000 1.264 360 I HN 0.315 nan 8.210 nan 0.000 0.429 361 A N 4.553 127.356 122.820 -0.029 0.000 2.655 361 A HA 0.432 4.752 4.320 -0.001 0.000 0.297 361 A C 1.342 178.899 177.584 -0.045 0.000 1.461 361 A CA 0.254 52.272 52.037 -0.030 0.000 1.146 361 A CB -0.308 18.697 19.000 0.008 0.000 1.108 361 A HN 0.918 nan 8.150 nan 0.000 0.550 362 A N 1.881 124.650 122.820 -0.085 0.000 2.139 362 A HA -0.070 4.250 4.320 -0.001 0.000 0.221 362 A C 2.144 179.692 177.584 -0.059 0.000 1.159 362 A CA 2.135 54.126 52.037 -0.077 0.000 0.662 362 A CB -0.190 18.737 19.000 -0.123 0.000 0.796 362 A HN 0.659 nan 8.150 nan 0.000 0.463 363 S N -1.940 113.691 115.700 -0.115 0.000 2.524 363 S HA 0.128 4.597 4.470 -0.001 0.000 0.216 363 S C 0.760 175.152 174.600 -0.347 0.000 0.987 363 S CA 0.171 58.204 58.200 -0.279 0.000 0.909 363 S CB 0.168 63.098 63.200 -0.450 0.000 0.781 363 S HN 0.685 nan 8.310 nan 0.000 0.521 364 Q N 0.469 120.210 119.800 -0.099 0.000 3.412 364 Q HA 0.606 4.946 4.340 -0.001 0.000 0.219 364 Q C -1.315 174.781 176.000 0.160 0.000 0.913 364 Q CA -0.308 55.562 55.803 0.112 0.000 0.722 364 Q CB 0.957 29.814 28.738 0.199 0.000 1.385 364 Q HN 0.337 nan 8.270 nan 0.000 0.461 365 A N 1.598 124.516 122.820 0.162 0.000 2.593 365 A HA 0.682 5.002 4.320 -0.001 0.000 0.290 365 A C -1.798 175.858 177.584 0.120 0.000 1.126 365 A CA -0.644 51.461 52.037 0.113 0.000 0.695 365 A CB 1.951 20.995 19.000 0.074 0.000 1.290 365 A HN 0.449 nan 8.150 nan 0.000 0.414 366 D N 0.628 121.097 120.400 0.115 0.000 2.440 366 D HA 0.527 5.167 4.640 -0.001 0.000 0.239 366 D C -1.341 175.094 176.300 0.224 0.000 1.084 366 D CA 0.025 54.095 54.000 0.117 0.000 0.843 366 D CB 1.397 42.205 40.800 0.014 0.000 1.097 366 D HN 0.256 nan 8.370 nan 0.000 0.531 367 V N 3.410 123.420 119.914 0.161 0.000 2.448 367 V HA 0.561 4.681 4.120 -0.001 0.000 0.295 367 V C 0.284 176.469 176.094 0.152 0.000 1.025 367 V CA -0.587 61.793 62.300 0.133 0.000 0.859 367 V CB 1.884 33.762 31.823 0.092 0.000 0.988 367 V HN 0.559 nan 8.190 nan 0.000 0.431 368 T N 6.189 120.825 114.554 0.137 0.000 2.841 368 T HA 0.754 5.104 4.350 -0.001 0.000 0.283 368 T C -0.675 174.058 174.700 0.055 0.000 1.000 368 T CA -0.256 61.937 62.100 0.155 0.000 0.977 368 T CB 1.664 70.674 68.868 0.237 0.000 0.979 368 T HN 0.618 nan 8.240 nan 0.000 0.446 369 I N 1.255 121.848 120.570 0.039 0.000 2.913 369 I HA 0.705 4.875 4.170 -0.001 0.000 0.302 369 I C -1.311 174.696 176.117 -0.183 0.000 1.246 369 I CA -0.444 60.779 61.300 -0.128 0.000 1.010 369 I CB 2.172 40.040 38.000 -0.220 0.000 1.259 369 I HN 0.615 nan 8.210 nan 0.000 0.434 370 S N 5.280 120.786 115.700 -0.323 0.000 2.614 370 S HA 0.664 5.134 4.470 -0.001 0.000 0.288 370 S C -1.415 172.974 174.600 -0.352 0.000 1.137 370 S CA -0.375 57.688 58.200 -0.229 0.000 0.992 370 S CB 0.727 63.877 63.200 -0.082 0.000 1.026 370 S HN 0.366 nan 8.310 nan 0.000 0.486 371 F N 3.274 123.240 119.950 0.028 0.000 2.420 371 F HA 0.512 5.038 4.527 -0.001 0.000 0.342 371 F C 0.581 176.314 175.800 -0.112 0.000 1.113 371 F CA -0.690 57.274 58.000 -0.060 0.000 1.059 371 F CB 1.383 40.340 39.000 -0.071 0.000 1.128 371 F HN 0.367 nan 8.300 nan 0.000 0.475 372 K N 4.940 125.368 120.400 0.046 0.000 2.293 372 K HA 0.524 4.844 4.320 -0.001 0.000 0.267 372 K C -1.135 175.413 176.600 -0.087 0.000 1.010 372 K CA -0.386 55.886 56.287 -0.025 0.000 0.875 372 K CB 0.699 33.180 32.500 -0.032 0.000 1.106 372 K HN 0.668 nan 8.250 nan 0.000 0.450 373 L N 4.110 125.265 121.223 -0.113 0.000 2.357 373 L HA 0.352 4.691 4.340 -0.001 0.000 0.273 373 L C 0.081 176.875 176.870 -0.127 0.000 1.080 373 L CA -0.556 54.185 54.840 -0.166 0.000 0.803 373 L CB 1.341 43.293 42.059 -0.178 0.000 1.174 373 L HN 0.704 nan 8.230 nan 0.000 0.443 374 E N 0.766 120.890 120.200 -0.128 0.000 2.234 374 E HA 0.562 4.911 4.350 -0.001 0.000 0.266 374 E C 0.007 176.557 176.600 -0.084 0.000 0.877 374 E CA -0.896 55.450 56.400 -0.091 0.000 0.758 374 E CB 1.933 31.588 29.700 -0.075 0.000 1.170 374 E HN 0.734 nan 8.360 nan 0.000 0.415 375 G N 3.083 111.845 108.800 -0.063 0.000 2.353 375 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.294 375 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.294 375 G C 0.380 175.250 174.900 -0.050 0.000 1.077 375 G CA 0.325 45.401 45.100 -0.040 0.000 1.098 375 G HN 0.579 nan 8.290 nan 0.000 0.511 376 L N -0.164 121.002 121.223 -0.096 0.000 2.083 376 L HA -0.132 4.208 4.340 -0.001 0.000 0.209 376 L C 3.013 179.916 176.870 0.056 0.000 1.083 376 L CA 2.176 56.903 54.840 -0.188 0.000 0.752 376 L CB -0.376 41.341 42.059 -0.570 0.000 0.899 376 L HN 0.721 nan 8.230 nan 0.000 0.433 377 K N -0.495 119.989 120.400 0.140 0.000 2.293 377 K HA -0.203 4.117 4.320 -0.001 0.000 0.204 377 K C 1.300 177.982 176.600 0.137 0.000 1.045 377 K CA 1.285 57.687 56.287 0.192 0.000 0.933 377 K CB -0.269 32.302 32.500 0.117 0.000 0.736 377 K HN 0.259 nan 8.250 nan 0.000 0.463 378 E N 0.937 121.188 120.200 0.085 0.000 2.481 378 E HA 0.098 4.448 4.350 -0.001 0.000 0.195 378 E C 0.426 177.075 176.600 0.081 0.000 1.047 378 E CA 0.427 56.866 56.400 0.064 0.000 0.867 378 E CB -0.035 29.682 29.700 0.027 0.000 0.858 378 E HN 0.448 nan 8.360 nan 0.000 0.513 379 A N 1.793 124.685 122.820 0.121 0.000 2.565 379 A HA -0.058 4.261 4.320 -0.001 0.000 0.237 379 A C 0.215 177.901 177.584 0.171 0.000 1.053 379 A CA 0.039 52.158 52.037 0.137 0.000 0.755 379 A CB -0.100 19.041 19.000 0.234 0.000 0.980 379 A HN 0.054 nan 8.150 nan 0.000 0.506 380 E N 0.885 121.194 120.200 0.181 0.000 2.442 380 E HA 0.199 4.548 4.350 -0.001 0.000 0.262 380 E C -0.494 176.282 176.600 0.292 0.000 1.004 380 E CA -0.040 56.508 56.400 0.245 0.000 0.928 380 E CB 0.520 30.431 29.700 0.352 0.000 0.937 380 E HN 0.397 nan 8.360 nan 0.000 0.446 381 V N 4.819 124.840 119.914 0.179 0.000 2.455 381 V HA 0.221 4.341 4.120 -0.001 0.000 0.273 381 V C -0.355 175.788 176.094 0.082 0.000 1.045 381 V CA -0.175 62.198 62.300 0.123 0.000 0.976 381 V CB 0.424 32.285 31.823 0.063 0.000 0.993 381 V HN 0.388 nan 8.190 nan 0.000 0.475 382 L N 5.063 126.313 121.223 0.046 0.000 2.737 382 L HA 0.437 4.777 4.340 -0.001 0.000 0.261 382 L C -0.822 175.986 176.870 -0.105 0.000 0.949 382 L CA -0.167 54.615 54.840 -0.095 0.000 0.952 382 L CB 1.772 43.621 42.059 -0.350 0.000 1.337 382 L HN 0.674 nan 8.230 nan 0.000 0.430 383 D N 2.641 122.987 120.400 -0.090 0.000 2.390 383 D HA 0.202 4.842 4.640 -0.001 0.000 0.249 383 D C 0.212 176.432 176.300 -0.134 0.000 1.144 383 D CA 0.589 54.534 54.000 -0.093 0.000 0.880 383 D CB 1.516 42.274 40.800 -0.071 0.000 1.182 383 D HN 0.751 nan 8.370 nan 0.000 0.451 384 T N -0.169 114.277 114.554 -0.181 0.000 3.215 384 T HA 0.080 4.430 4.350 -0.001 0.000 0.271 384 T C 1.494 176.030 174.700 -0.273 0.000 1.012 384 T CA -0.394 61.554 62.100 -0.254 0.000 0.899 384 T CB 0.268 68.855 68.868 -0.469 0.000 1.089 384 T HN 0.250 nan 8.240 nan 0.000 0.552 385 T N 2.710 117.161 114.554 -0.172 0.000 2.665 385 T HA -0.006 4.344 4.350 -0.001 0.000 0.268 385 T C 1.344 175.996 174.700 -0.079 0.000 1.035 385 T CA 1.343 63.367 62.100 -0.127 0.000 1.151 385 T CB -0.244 68.576 68.868 -0.080 0.000 0.862 385 T HN 0.432 nan 8.240 nan 0.000 0.438 386 L N 0.550 121.746 121.223 -0.045 0.000 2.766 386 L HA 0.288 4.627 4.340 -0.001 0.000 0.242 386 L C 0.098 176.990 176.870 0.036 0.000 1.136 386 L CA -0.285 54.554 54.840 -0.001 0.000 0.933 386 L CB 0.405 42.464 42.059 0.000 0.000 1.241 386 L HN 0.021 nan 8.230 nan 0.000 0.522 387 V N 1.174 121.112 119.914 0.042 0.000 2.673 387 V HA -0.079 4.040 4.120 -0.001 0.000 0.303 387 V C 0.146 176.368 176.094 0.213 0.000 1.046 387 V CA 0.125 62.493 62.300 0.113 0.000 1.126 387 V CB 0.972 32.879 31.823 0.140 0.000 0.934 387 V HN 0.169 nan 8.190 nan 0.000 0.487 388 D N 7.235 127.717 120.400 0.137 0.000 2.380 388 D HA 0.243 4.882 4.640 -0.001 0.000 0.230 388 D C -0.976 175.344 176.300 0.034 0.000 1.154 388 D CA -2.232 51.834 54.000 0.109 0.000 0.859 388 D CB 1.642 42.486 40.800 0.073 0.000 1.045 388 D HN 0.231 nan 8.370 nan 0.000 0.495 389 P HA -0.257 nan 4.420 nan 0.000 0.216 389 P C 1.299 178.462 177.300 -0.229 0.000 1.150 389 P CA 1.244 64.108 63.100 -0.394 0.000 0.843 389 P CB 0.360 31.606 31.700 -0.758 0.000 0.787 390 Q N -0.008 119.717 119.800 -0.126 0.000 2.079 390 Q HA -0.113 4.227 4.340 -0.001 0.000 0.200 390 Q C 2.254 178.215 176.000 -0.064 0.000 0.974 390 Q CA 1.719 57.472 55.803 -0.083 0.000 0.840 390 Q CB -0.585 28.146 28.738 -0.011 0.000 0.898 390 Q HN 0.124 nan 8.270 nan 0.000 0.430 391 A N 0.862 123.664 122.820 -0.030 0.000 1.902 391 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 391 A C 1.996 179.569 177.584 -0.019 0.000 1.181 391 A CA 1.357 53.386 52.037 -0.014 0.000 0.623 391 A CB -0.800 18.205 19.000 0.009 0.000 0.818 391 A HN 0.485 nan 8.150 nan 0.000 0.443 392 L N -0.188 121.020 121.223 -0.024 0.000 2.046 392 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 392 L C 2.482 179.358 176.870 0.011 0.000 1.077 392 L CA 2.080 56.918 54.840 -0.004 0.000 0.747 392 L CB -0.846 41.208 42.059 -0.008 0.000 0.896 392 L HN 0.497 nan 8.230 nan 0.000 0.432 393 c N -0.453 118.124 118.600 -0.040 0.000 2.435 393 c HA -0.074 4.496 4.570 -0.001 0.000 0.279 393 c C 2.545 176.628 174.090 -0.013 0.000 1.321 393 c CA 0.667 56.977 56.329 -0.031 0.000 1.752 393 c CB -1.309 41.111 42.510 -0.149 0.000 1.959 393 c HN 0.596 nan 8.230 nan 0.000 0.500 394 N N 0.512 119.185 118.700 -0.045 0.000 2.270 394 N HA -0.115 4.625 4.740 -0.001 0.000 0.181 394 N C 1.851 177.356 175.510 -0.008 0.000 1.016 394 N CA 0.907 53.930 53.050 -0.045 0.000 0.870 394 N CB -0.353 38.095 38.487 -0.065 0.000 0.979 394 N HN 0.697 nan 8.380 nan 0.000 0.431 395 E N 0.927 121.131 120.200 0.007 0.000 2.072 395 E HA -0.044 4.306 4.350 -0.001 0.000 0.190 395 E C 0.017 176.641 176.600 0.039 0.000 0.982 395 E CA 0.617 57.028 56.400 0.019 0.000 0.803 395 E CB 0.305 30.016 29.700 0.019 0.000 0.755 395 E HN 0.167 nan 8.360 nan 0.000 0.453 396 R N 0.591 121.134 120.500 0.071 0.000 2.363 396 R HA 0.336 4.676 4.340 -0.001 0.000 0.297 396 R C 0.043 176.441 176.300 0.163 0.000 1.208 396 R CA -0.384 55.775 56.100 0.099 0.000 1.121 396 R CB 1.641 32.018 30.300 0.129 0.000 1.124 396 R HN 0.050 nan 8.270 nan 0.000 0.561 397 G N 0.546 109.419 108.800 0.120 0.000 2.494 397 G HA2 0.270 4.230 3.960 -0.001 0.000 0.270 397 G HA3 0.270 4.230 3.960 -0.001 0.000 0.270 397 G C 0.944 175.884 174.900 0.067 0.000 1.423 397 G CA -0.001 45.213 45.100 0.189 0.000 1.055 397 G HN 0.493 nan 8.290 nan 0.000 0.536 398 A N -0.793 122.055 122.820 0.046 0.000 2.070 398 A HA 0.003 4.323 4.320 -0.001 0.000 0.220 398 A C 2.473 179.968 177.584 -0.149 0.000 1.159 398 A CA 2.393 54.315 52.037 -0.191 0.000 0.656 398 A CB -0.580 18.315 19.000 -0.175 0.000 0.800 398 A HN 1.066 nan 8.150 nan 0.000 0.453 399 S N -1.159 114.488 115.700 -0.088 0.000 2.528 399 S HA 0.111 4.580 4.470 -0.001 0.000 0.219 399 S C 0.962 175.531 174.600 -0.052 0.000 0.985 399 S CA 0.537 58.696 58.200 -0.069 0.000 0.914 399 S CB -0.388 62.780 63.200 -0.054 0.000 0.776 399 S HN 0.383 nan 8.310 nan 0.000 0.526 400 S N 2.414 118.083 115.700 -0.051 0.000 2.400 400 S HA 0.326 4.796 4.470 -0.001 0.000 0.295 400 S C -0.060 174.510 174.600 -0.050 0.000 1.113 400 S CA -0.826 57.358 58.200 -0.027 0.000 1.064 400 S CB -0.056 63.149 63.200 0.008 0.000 0.990 400 S HN 0.417 nan 8.310 nan 0.000 0.502 401 R N 3.502 123.983 120.500 -0.032 0.000 2.298 401 R HA 0.470 4.809 4.340 -0.001 0.000 0.310 401 R C 0.884 177.176 176.300 -0.013 0.000 1.068 401 R CA -0.272 55.807 56.100 -0.035 0.000 0.957 401 R CB 1.033 31.321 30.300 -0.021 0.000 1.003 401 R HN 0.677 nan 8.270 nan 0.000 0.454 402 G N 0.572 109.356 108.800 -0.027 0.000 3.107 402 G HA2 0.484 4.444 3.960 -0.001 0.000 0.232 402 G HA3 0.484 4.444 3.960 -0.001 0.000 0.232 402 G C 0.167 175.062 174.900 -0.007 0.000 1.339 402 G CA -0.011 45.090 45.100 0.001 0.000 1.033 402 G HN 0.546 nan 8.290 nan 0.000 0.567 403 A N -1.162 121.657 122.820 -0.002 0.000 1.878 403 A HA 0.435 4.755 4.320 -0.001 0.000 0.215 403 A C 0.647 178.222 177.584 -0.015 0.000 1.310 403 A CA 0.842 52.878 52.037 -0.002 0.000 0.612 403 A CB -0.570 18.440 19.000 0.017 0.000 0.989 403 A HN 0.375 nan 8.150 nan 0.000 0.472 404 L N 0.641 121.847 121.223 -0.028 0.000 2.315 404 L HA 0.585 4.925 4.340 -0.001 0.000 0.278 404 L C 0.531 177.414 176.870 0.022 0.000 1.088 404 L CA 0.862 55.718 54.840 0.026 0.000 0.899 404 L CB -0.499 41.562 42.059 0.002 0.000 1.277 404 L HN 0.829 nan 8.230 nan 0.000 0.431 405 G N 4.495 113.354 108.800 0.099 0.000 2.484 405 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.685 405 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.685 405 G C -3.252 171.541 174.900 -0.179 0.000 1.294 405 G CA -1.130 43.897 45.100 -0.122 0.000 0.879 405 G HN 0.283 nan 8.290 nan 0.000 0.646 406 P HA 0.598 nan 4.420 nan 0.000 0.286 406 P C -0.834 176.101 177.300 -0.608 0.000 1.269 406 P CA -0.236 62.465 63.100 -0.664 0.000 0.787 406 P CB 0.549 31.426 31.700 -1.372 0.000 0.920 407 F N 0.887 120.476 119.950 -0.601 0.000 2.561 407 F HA 0.881 5.408 4.527 -0.001 0.000 0.313 407 F C 0.084 175.448 175.800 -0.727 0.000 1.126 407 F CA -0.745 56.730 58.000 -0.874 0.000 0.918 407 F CB 1.655 40.216 39.000 -0.730 0.000 1.199 407 F HN 0.649 nan 8.300 nan 0.000 0.444 408 G N 2.042 110.503 108.800 -0.565 0.000 2.593 408 G HA2 0.391 4.351 3.960 -0.001 0.000 0.103 408 G HA3 0.391 4.351 3.960 -0.001 0.000 0.103 408 G C -2.493 172.647 174.900 0.399 0.000 1.103 408 G CA -0.647 44.528 45.100 0.125 0.000 1.109 408 G HN 0.763 nan 8.290 nan 0.000 0.516 409 L N 0.345 121.872 121.223 0.506 0.000 2.333 409 L HA 0.835 5.175 4.340 -0.001 0.000 0.269 409 L C -0.815 176.348 176.870 0.489 0.000 1.010 409 L CA -0.713 54.423 54.840 0.493 0.000 0.818 409 L CB 1.889 44.134 42.059 0.309 0.000 1.306 409 L HN 0.450 nan 8.230 nan 0.000 0.430 410 L N 4.027 125.480 121.223 0.382 0.000 2.324 410 L HA 0.722 5.061 4.340 -0.001 0.000 0.274 410 L C -0.329 176.689 176.870 0.246 0.000 1.012 410 L CA -0.415 54.557 54.840 0.220 0.000 0.859 410 L CB 1.302 43.441 42.059 0.134 0.000 1.224 410 L HN 0.724 nan 8.230 nan 0.000 0.429 411 A N 3.671 126.597 122.820 0.177 0.000 2.299 411 A HA 0.762 5.082 4.320 -0.001 0.000 0.332 411 A C 0.608 178.292 177.584 0.167 0.000 1.131 411 A CA -0.573 51.557 52.037 0.154 0.000 0.844 411 A CB 1.005 20.073 19.000 0.113 0.000 1.251 411 A HN 0.684 nan 8.150 nan 0.000 0.486 412 M N -1.427 118.278 119.600 0.175 0.000 2.169 412 M HA -0.208 4.272 4.480 -0.001 0.000 0.196 412 M C 0.392 176.944 176.300 0.419 0.000 0.355 412 M CA 1.028 56.489 55.300 0.268 0.000 0.396 412 M CB -2.862 29.834 32.600 0.160 0.000 1.125 412 M HN 1.131 nan 8.290 nan 0.000 0.939 413 A N 0.286 123.299 122.820 0.321 0.000 2.306 413 A HA 0.797 5.116 4.320 -0.001 0.000 0.330 413 A C 0.696 178.175 177.584 -0.174 0.000 1.146 413 A CA 0.093 52.244 52.037 0.190 0.000 0.827 413 A CB 0.962 20.115 19.000 0.254 0.000 1.178 413 A HN 0.672 nan 8.150 nan 0.000 0.490 414 S N 0.860 116.264 115.700 -0.492 0.000 2.632 414 S HA 0.293 4.763 4.470 -0.001 0.000 0.271 414 S C 0.996 175.345 174.600 -0.417 0.000 1.260 414 S CA -0.154 57.540 58.200 -0.843 0.000 1.010 414 S CB 1.238 64.005 63.200 -0.721 0.000 0.965 414 S HN 0.799 nan 8.310 nan 0.000 0.534 415 K N 0.829 120.911 120.400 -0.530 0.000 2.074 415 K HA -0.233 4.086 4.320 -0.001 0.000 0.209 415 K C 1.101 177.520 176.600 -0.301 0.000 1.048 415 K CA 2.317 58.217 56.287 -0.644 0.000 0.926 415 K CB -0.606 31.611 32.500 -0.471 0.000 0.713 415 K HN 0.900 nan 8.250 nan 0.000 0.444 416 D N -0.242 120.021 120.400 -0.229 0.000 2.363 416 D HA -0.074 4.565 4.640 -0.001 0.000 0.226 416 D C 0.697 176.883 176.300 -0.189 0.000 1.020 416 D CA 0.338 54.237 54.000 -0.167 0.000 0.892 416 D CB -0.082 40.650 40.800 -0.113 0.000 0.900 416 D HN 0.320 nan 8.370 nan 0.000 0.531 417 L N -1.803 119.284 121.223 -0.227 0.000 4.291 417 L HA -0.307 4.033 4.340 -0.001 0.000 0.413 417 L C 1.345 178.127 176.870 -0.147 0.000 1.162 417 L CA 0.318 55.018 54.840 -0.234 0.000 0.961 417 L CB -1.225 40.633 42.059 -0.334 0.000 2.095 417 L HN 0.068 nan 8.230 nan 0.000 0.838 418 K N 0.797 121.136 120.400 -0.103 0.000 2.211 418 K HA 0.039 4.359 4.320 -0.001 0.000 0.203 418 K C 0.473 177.070 176.600 -0.004 0.000 1.050 418 K CA 1.368 57.627 56.287 -0.046 0.000 0.945 418 K CB 0.177 32.667 32.500 -0.018 0.000 0.732 418 K HN 0.481 nan 8.250 nan 0.000 0.451 419 E N -0.139 120.075 120.200 0.024 0.000 2.272 419 E HA 0.248 4.598 4.350 -0.001 0.000 0.269 419 E C -1.239 175.418 176.600 0.094 0.000 0.877 419 E CA -0.694 55.772 56.400 0.110 0.000 0.755 419 E CB 1.951 31.824 29.700 0.289 0.000 1.192 419 E HN 0.152 nan 8.360 nan 0.000 0.422 420 Q N -0.016 119.830 119.800 0.077 0.000 2.647 420 Q HA 0.559 4.899 4.340 -0.001 0.000 0.283 420 Q C -1.530 174.499 176.000 0.047 0.000 0.943 420 Q CA -0.977 54.861 55.803 0.058 0.000 0.813 420 Q CB 1.620 30.325 28.738 -0.055 0.000 1.477 420 Q HN 0.260 nan 8.270 nan 0.000 0.393 421 S N 0.564 116.301 115.700 0.062 0.000 2.640 421 S HA 0.746 5.216 4.470 -0.001 0.000 0.320 421 S C -1.063 173.569 174.600 0.053 0.000 1.097 421 S CA -0.494 57.735 58.200 0.047 0.000 1.092 421 S CB 1.442 64.674 63.200 0.054 0.000 0.988 421 S HN 0.676 nan 8.310 nan 0.000 0.470 422 A N 3.720 126.572 122.820 0.053 0.000 2.253 422 A HA 0.693 5.013 4.320 -0.001 0.000 0.316 422 A C -0.574 177.104 177.584 0.157 0.000 1.327 422 A CA -0.448 51.682 52.037 0.156 0.000 0.917 422 A CB -0.228 18.877 19.000 0.175 0.000 1.162 422 A HN 0.647 nan 8.150 nan 0.000 0.535 423 I N 4.366 125.029 120.570 0.155 0.000 2.328 423 I HA 0.565 4.734 4.170 -0.001 0.000 0.287 423 I C -0.273 175.819 176.117 -0.042 0.000 1.012 423 I CA -0.114 61.135 61.300 -0.086 0.000 1.195 423 I CB 0.235 38.194 38.000 -0.068 0.000 1.350 423 I HN 0.591 nan 8.210 nan 0.000 0.464 424 F N 4.503 124.279 119.950 -0.291 0.000 2.726 424 F HA 0.821 5.348 4.527 -0.001 0.000 0.324 424 F C -1.537 173.767 175.800 -0.827 0.000 1.140 424 F CA -1.597 56.102 58.000 -0.501 0.000 0.964 424 F CB 0.993 39.844 39.000 -0.249 0.000 1.399 424 F HN 0.040 nan 8.300 nan 0.000 0.491 425 F N 0.161 119.934 119.950 -0.295 0.000 2.598 425 F HA 0.842 5.368 4.527 -0.000 0.000 0.327 425 F C -0.286 175.166 175.800 -0.580 0.000 1.057 425 F CA -1.032 56.674 58.000 -0.491 0.000 0.957 425 F CB 2.337 40.915 39.000 -0.703 0.000 1.278 425 F HN 0.349 nan 8.300 nan 0.000 0.484 426 R N 0.514 120.919 120.500 -0.158 0.000 2.698 426 R HA 0.786 5.126 4.340 -0.001 0.000 0.275 426 R C -2.018 174.073 176.300 -0.348 0.000 1.001 426 R CA -1.065 54.844 56.100 -0.319 0.000 0.896 426 R CB 2.646 32.763 30.300 -0.304 0.000 1.218 426 R HN 0.380 nan 8.270 nan 0.000 0.462 427 V N 3.064 122.715 119.914 -0.439 0.000 2.540 427 V HA 0.592 4.712 4.120 -0.001 0.000 0.302 427 V C -0.977 174.878 176.094 -0.397 0.000 1.035 427 V CA -0.595 61.552 62.300 -0.256 0.000 0.873 427 V CB 1.361 33.140 31.823 -0.073 0.000 0.992 427 V HN 0.529 nan 8.190 nan 0.000 0.428 428 F N 2.028 122.095 119.950 0.194 0.000 2.631 428 F HA 0.775 5.302 4.527 -0.001 0.000 0.328 428 F C 0.066 176.000 175.800 0.223 0.000 1.067 428 F CA -0.802 57.307 58.000 0.181 0.000 0.969 428 F CB 2.045 41.133 39.000 0.147 0.000 1.332 428 F HN 0.537 nan 8.300 nan 0.000 0.490 429 Q N 0.599 120.616 119.800 0.361 0.000 2.379 429 Q HA 0.520 4.859 4.340 -0.001 0.000 0.278 429 Q C -1.612 174.417 176.000 0.049 0.000 1.068 429 Q CA -1.202 54.678 55.803 0.127 0.000 0.816 429 Q CB 2.469 31.205 28.738 -0.003 0.000 1.387 429 Q HN 0.636 nan 8.270 nan 0.000 0.413 430 N N 0.866 119.544 118.700 -0.037 0.000 2.418 430 N HA 0.026 4.766 4.740 -0.001 0.000 0.283 430 N C 0.535 176.013 175.510 -0.053 0.000 1.267 430 N CA -0.422 52.603 53.050 -0.042 0.000 0.975 430 N CB 0.430 38.881 38.487 -0.060 0.000 1.167 430 N HN 0.747 nan 8.380 nan 0.000 0.581 431 Q N -1.049 118.726 119.800 -0.043 0.000 2.135 431 Q HA 0.080 4.420 4.340 -0.001 0.000 0.204 431 Q C 1.173 177.142 176.000 -0.052 0.000 0.981 431 Q CA 1.335 57.115 55.803 -0.037 0.000 0.856 431 Q CB -0.305 28.416 28.738 -0.028 0.000 0.902 431 Q HN 0.594 nan 8.270 nan 0.000 0.425 432 L N -1.072 120.112 121.223 -0.064 0.000 2.610 432 L HA 0.174 4.514 4.340 -0.001 0.000 0.232 432 L C 1.323 178.127 176.870 -0.110 0.000 1.149 432 L CA 1.398 56.196 54.840 -0.071 0.000 0.872 432 L CB -1.334 40.688 42.059 -0.061 0.000 0.992 432 L HN 0.493 nan 8.230 nan 0.000 0.447 433 G N -0.269 108.439 108.800 -0.154 0.000 2.176 433 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.253 433 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.253 433 G C 0.560 175.167 174.900 -0.489 0.000 0.979 433 G CA -0.252 44.682 45.100 -0.277 0.000 0.641 433 G HN 0.269 nan 8.290 nan 0.000 0.530 434 R N -0.160 120.149 120.500 -0.318 0.000 2.438 434 R HA 0.455 4.795 4.340 -0.001 0.000 0.287 434 R C -0.163 175.964 176.300 -0.288 0.000 1.077 434 R CA -0.166 55.768 56.100 -0.277 0.000 1.034 434 R CB 0.264 30.494 30.300 -0.117 0.000 0.993 434 R HN 0.303 nan 8.270 nan 0.000 0.459 435 Y N -0.159 120.162 120.300 0.035 0.000 2.376 435 Y HA 0.266 4.816 4.550 -0.001 0.000 0.325 435 Y C 0.925 176.860 175.900 0.059 0.000 1.199 435 Y CA -0.342 57.792 58.100 0.057 0.000 1.206 435 Y CB 1.533 40.022 38.460 0.049 0.000 1.229 435 Y HN 0.560 nan 8.280 nan 0.000 0.480 436 S N 0.136 116.009 115.700 0.289 0.000 2.564 436 S HA 0.844 5.314 4.470 -0.001 0.000 0.274 436 S C -1.694 173.081 174.600 0.291 0.000 1.124 436 S CA -0.846 57.485 58.200 0.218 0.000 0.869 436 S CB 1.441 64.703 63.200 0.103 0.000 1.105 436 S HN 0.352 nan 8.310 nan 0.000 0.472 437 V N 2.514 122.602 119.914 0.290 0.000 2.495 437 V HA 0.640 4.759 4.120 -0.001 0.000 0.298 437 V C -0.782 175.542 176.094 0.383 0.000 1.031 437 V CA -0.694 61.761 62.300 0.259 0.000 0.871 437 V CB 1.355 33.251 31.823 0.121 0.000 0.988 437 V HN 0.911 nan 8.190 nan 0.000 0.432 438 L N 5.365 126.766 121.223 0.297 0.000 2.322 438 L HA 0.718 5.057 4.340 -0.001 0.000 0.281 438 L C -0.495 176.427 176.870 0.086 0.000 1.014 438 L CA -0.243 54.673 54.840 0.127 0.000 0.815 438 L CB 1.506 43.660 42.059 0.158 0.000 1.247 438 L HN 0.796 nan 8.230 nan 0.000 0.421 439 M N 5.278 124.839 119.600 -0.064 0.000 2.243 439 M HA 0.539 5.019 4.480 -0.001 0.000 0.324 439 M C -1.698 174.354 176.300 -0.413 0.000 1.031 439 M CA -0.216 54.966 55.300 -0.197 0.000 0.949 439 M CB 1.134 33.708 32.600 -0.044 0.000 1.615 439 M HN 0.747 nan 8.290 nan 0.000 0.430 440 c N 1.649 119.831 118.600 -0.695 0.000 2.707 440 c HA 0.707 5.276 4.570 -0.001 0.000 0.313 440 c C -0.280 173.381 174.090 -0.716 0.000 1.209 440 c CA -0.607 55.260 56.329 -0.769 0.000 1.635 440 c CB 2.279 44.076 42.510 -1.188 0.000 2.206 440 c HN 0.864 nan 8.230 nan 0.000 0.485 441 S N 1.548 116.992 115.700 -0.426 0.000 2.542 441 S HA 0.190 4.660 4.470 -0.001 0.000 0.245 441 S C -0.919 173.561 174.600 -0.200 0.000 1.325 441 S CA -0.207 57.844 58.200 -0.247 0.000 1.176 441 S CB 0.196 63.354 63.200 -0.070 0.000 1.045 441 S HN 0.820 nan 8.310 nan 0.000 0.481 442 D N 2.778 123.071 120.400 -0.178 0.000 2.352 442 D HA 0.201 4.841 4.640 -0.001 0.000 0.245 442 D C 0.240 176.519 176.300 -0.035 0.000 1.224 442 D CA -0.405 53.562 54.000 -0.054 0.000 0.879 442 D CB 0.679 41.571 40.800 0.153 0.000 1.057 442 D HN 0.183 nan 8.370 nan 0.000 0.491 443 L N 3.099 124.280 121.223 -0.071 0.000 2.693 443 L HA 0.053 4.393 4.340 -0.001 0.000 0.235 443 L C 2.349 179.198 176.870 -0.035 0.000 1.127 443 L CA 0.259 55.072 54.840 -0.045 0.000 0.914 443 L CB -0.726 41.298 42.059 -0.060 0.000 1.193 443 L HN 0.481 nan 8.230 nan 0.000 0.502 444 S N 0.181 115.856 115.700 -0.042 0.000 2.392 444 S HA -0.234 4.236 4.470 -0.001 0.000 0.232 444 S C 1.734 176.326 174.600 -0.013 0.000 1.041 444 S CA 1.260 59.441 58.200 -0.031 0.000 1.026 444 S CB -0.290 62.894 63.200 -0.026 0.000 0.845 444 S HN 0.515 nan 8.310 nan 0.000 0.465 445 R N 0.916 121.412 120.500 -0.007 0.000 2.613 445 R HA 0.278 4.617 4.340 -0.001 0.000 0.361 445 R C 1.680 177.997 176.300 0.030 0.000 1.072 445 R CA 0.547 56.649 56.100 0.003 0.000 1.089 445 R CB 0.260 30.549 30.300 -0.019 0.000 1.343 445 R HN 0.658 nan 8.270 nan 0.000 0.571 446 S N -0.639 115.082 115.700 0.036 0.000 2.447 446 S HA -0.064 4.406 4.470 -0.001 0.000 0.233 446 S C 0.957 175.616 174.600 0.099 0.000 1.006 446 S CA 0.773 59.012 58.200 0.065 0.000 0.957 446 S CB 0.193 63.420 63.200 0.044 0.000 0.773 446 S HN 0.192 nan 8.310 nan 0.000 0.507 447 T N -0.373 114.231 114.554 0.084 0.000 2.885 447 T HA 0.429 4.778 4.350 -0.001 0.000 0.322 447 T C 0.090 174.834 174.700 0.073 0.000 1.387 447 T CA -0.179 61.981 62.100 0.100 0.000 1.041 447 T CB 1.656 70.585 68.868 0.101 0.000 1.287 447 T HN 0.372 nan 8.240 nan 0.000 0.491 448 V N 1.118 121.080 119.914 0.080 0.000 3.621 448 V HA 0.529 4.648 4.120 -0.001 0.000 0.285 448 V C 0.958 177.077 176.094 0.042 0.000 1.346 448 V CA -0.146 62.187 62.300 0.055 0.000 1.104 448 V CB -0.628 31.232 31.823 0.061 0.000 0.913 448 V HN 0.642 nan 8.190 nan 0.000 0.432 449 R N 1.271 121.797 120.500 0.045 0.000 2.679 449 R HA 0.472 4.812 4.340 -0.001 0.000 0.269 449 R C 0.122 176.421 176.300 -0.002 0.000 1.076 449 R CA 0.105 56.218 56.100 0.022 0.000 1.160 449 R CB 0.836 31.146 30.300 0.018 0.000 1.054 449 R HN 0.463 nan 8.270 nan 0.000 0.507 450 S N 1.364 117.054 115.700 -0.017 0.000 2.687 450 S HA 0.183 4.653 4.470 -0.001 0.000 0.283 450 S C 0.129 174.698 174.600 -0.052 0.000 1.170 450 S CA -0.780 57.404 58.200 -0.027 0.000 1.008 450 S CB 0.938 64.126 63.200 -0.021 0.000 1.026 450 S HN 0.706 nan 8.310 nan 0.000 0.541 451 N N 0.158 118.827 118.700 -0.052 0.000 2.747 451 N HA -0.136 4.603 4.740 -0.001 0.000 0.249 451 N C -1.194 174.254 175.510 -0.103 0.000 1.107 451 N CA 0.598 53.605 53.050 -0.071 0.000 0.707 451 N CB -1.107 37.334 38.487 -0.077 0.000 1.054 451 N HN 0.378 nan 8.380 nan 0.000 0.555 452 I N 0.698 121.218 120.570 -0.083 0.000 2.406 452 I HA 0.146 4.316 4.170 -0.001 0.000 0.290 452 I C 0.470 176.564 176.117 -0.038 0.000 0.999 452 I CA -0.802 60.444 61.300 -0.091 0.000 1.124 452 I CB 1.722 39.687 38.000 -0.058 0.000 1.289 452 I HN -0.104 nan 8.210 nan 0.000 0.441 453 D N 5.162 125.545 120.400 -0.027 0.000 2.342 453 D HA 0.038 4.677 4.640 -0.001 0.000 0.260 453 D C 0.850 177.156 176.300 0.009 0.000 1.278 453 D CA 0.182 54.178 54.000 -0.006 0.000 0.910 453 D CB 0.723 41.529 40.800 0.009 0.000 1.079 453 D HN 0.626 nan 8.370 nan 0.000 0.496 454 T N 0.034 114.576 114.554 -0.021 0.000 3.243 454 T HA 0.139 4.489 4.350 -0.001 0.000 0.264 454 T C 0.627 175.258 174.700 -0.115 0.000 1.000 454 T CA -0.608 61.469 62.100 -0.038 0.000 0.901 454 T CB -0.345 68.510 68.868 -0.022 0.000 1.083 454 T HN 0.159 nan 8.240 nan 0.000 0.559 455 T N 3.139 117.597 114.554 -0.161 0.000 2.946 455 T HA 0.239 4.588 4.350 -0.001 0.000 0.311 455 T C 0.459 174.803 174.700 -0.594 0.000 1.063 455 T CA 0.111 62.035 62.100 -0.294 0.000 1.139 455 T CB 0.663 69.374 68.868 -0.261 0.000 0.994 455 T HN 0.363 nan 8.240 nan 0.000 0.547 456 S N 1.381 116.768 115.700 -0.520 0.000 2.646 456 S HA 0.572 5.041 4.470 -0.001 0.000 0.276 456 S C -0.952 173.177 174.600 -0.785 0.000 1.222 456 S CA -0.633 57.225 58.200 -0.569 0.000 1.014 456 S CB 0.364 63.402 63.200 -0.269 0.000 0.991 456 S HN 0.537 nan 8.310 nan 0.000 0.533 457 Y N -0.322 119.907 120.300 -0.119 0.000 2.485 457 Y HA 0.738 5.288 4.550 -0.001 0.000 0.345 457 Y C 0.633 176.414 175.900 -0.198 0.000 0.998 457 Y CA -0.794 57.226 58.100 -0.132 0.000 1.059 457 Y CB 2.020 40.410 38.460 -0.117 0.000 1.234 457 Y HN 0.832 nan 8.280 nan 0.000 0.461 458 G N -0.075 108.687 108.800 -0.063 0.000 2.660 458 G HA2 0.831 4.790 3.960 -0.001 0.000 0.290 458 G HA3 0.831 4.790 3.960 -0.001 0.000 0.290 458 G C -1.983 172.719 174.900 -0.331 0.000 1.432 458 G CA -0.484 44.480 45.100 -0.227 0.000 0.807 458 G HN 0.952 nan 8.290 nan 0.000 0.485 459 A N -0.558 121.982 122.820 -0.467 0.000 2.597 459 A HA 0.722 5.042 4.320 -0.001 0.000 0.292 459 A C -1.681 175.589 177.584 -0.522 0.000 1.057 459 A CA -0.798 50.858 52.037 -0.636 0.000 0.674 459 A CB 0.605 19.011 19.000 -0.990 0.000 1.278 459 A HN 0.789 nan 8.150 nan 0.000 0.416 460 F N 0.705 120.537 119.950 -0.196 0.000 2.384 460 F HA 0.500 5.026 4.527 -0.001 0.000 0.338 460 F C 0.512 176.288 175.800 -0.040 0.000 1.103 460 F CA -0.239 57.727 58.000 -0.058 0.000 1.157 460 F CB 1.757 40.744 39.000 -0.022 0.000 1.167 460 F HN 0.293 nan 8.300 nan 0.000 0.529 461 V N 1.916 121.966 119.914 0.226 0.000 2.394 461 V HA 0.103 4.222 4.120 -0.001 0.000 0.282 461 V C -0.384 175.798 176.094 0.147 0.000 1.031 461 V CA -0.765 61.631 62.300 0.160 0.000 0.881 461 V CB 1.449 33.365 31.823 0.154 0.000 0.982 461 V HN 0.590 nan 8.190 nan 0.000 0.451 462 D N 5.752 126.225 120.400 0.120 0.000 2.551 462 D HA 0.386 5.025 4.640 -0.001 0.000 0.223 462 D C -0.247 176.102 176.300 0.082 0.000 1.144 462 D CA 0.057 54.116 54.000 0.098 0.000 1.025 462 D CB -0.213 40.642 40.800 0.092 0.000 1.085 462 D HN 0.599 nan 8.370 nan 0.000 0.506 463 I N -1.472 119.144 120.570 0.076 0.000 2.994 463 I HA 0.531 4.701 4.170 -0.001 0.000 0.306 463 I C -1.176 174.976 176.117 0.059 0.000 1.195 463 I CA -1.241 60.093 61.300 0.057 0.000 1.001 463 I CB 2.317 40.337 38.000 0.035 0.000 1.244 463 I HN -0.219 nan 8.210 nan 0.000 0.437 464 D N 4.942 125.372 120.400 0.051 0.000 2.443 464 D HA 0.443 5.082 4.640 -0.001 0.000 0.221 464 D C -1.897 174.421 176.300 0.029 0.000 1.097 464 D CA -2.409 51.629 54.000 0.063 0.000 0.865 464 D CB 1.641 42.480 40.800 0.065 0.000 1.034 464 D HN 0.270 nan 8.370 nan 0.000 0.511 465 P HA -0.132 nan 4.420 nan 0.000 0.220 465 P C 1.045 178.288 177.300 -0.096 0.000 1.144 465 P CA 0.983 64.038 63.100 -0.075 0.000 0.800 465 P CB 0.261 31.865 31.700 -0.160 0.000 0.772 466 R N -0.559 119.913 120.500 -0.047 0.000 2.073 466 R HA -0.021 4.319 4.340 -0.001 0.000 0.229 466 R C 2.193 178.487 176.300 -0.010 0.000 1.120 466 R CA 1.918 58.003 56.100 -0.025 0.000 0.967 466 R CB -0.576 29.761 30.300 0.062 0.000 0.862 466 R HN 0.315 nan 8.270 nan 0.000 0.436 467 S N -0.191 115.512 115.700 0.005 0.000 2.512 467 S HA 0.048 4.517 4.470 -0.001 0.000 0.216 467 S C 0.086 174.685 174.600 -0.001 0.000 1.006 467 S CA -0.568 57.635 58.200 0.005 0.000 0.915 467 S CB 0.206 63.416 63.200 0.017 0.000 0.824 467 S HN 0.346 nan 8.310 nan 0.000 0.497 468 E N 0.790 120.987 120.200 -0.006 0.000 2.292 468 E HA 0.459 4.809 4.350 -0.001 0.000 0.272 468 E C -1.486 175.104 176.600 -0.016 0.000 0.881 468 E CA -0.967 55.429 56.400 -0.007 0.000 0.754 468 E CB 1.233 30.935 29.700 0.003 0.000 1.201 468 E HN 0.191 nan 8.360 nan 0.000 0.425 469 E N 2.145 122.338 120.200 -0.012 0.000 2.404 469 E HA 0.160 4.509 4.350 -0.001 0.000 0.261 469 E C -0.149 176.447 176.600 -0.005 0.000 1.074 469 E CA -0.182 56.215 56.400 -0.005 0.000 0.917 469 E CB 1.018 30.719 29.700 0.002 0.000 0.965 469 E HN 0.421 nan 8.360 nan 0.000 0.433 470 I N 2.567 123.139 120.570 0.004 0.000 2.337 470 I HA 0.022 4.191 4.170 -0.001 0.000 0.291 470 I C 0.415 176.552 176.117 0.034 0.000 1.046 470 I CA -0.127 61.118 61.300 -0.092 0.000 1.324 470 I CB 0.427 38.270 38.000 -0.262 0.000 1.409 470 I HN 0.377 nan 8.210 nan 0.000 0.494 471 S N 7.451 123.179 115.700 0.045 0.000 2.593 471 S HA 0.826 5.296 4.470 -0.001 0.000 0.297 471 S C -0.817 173.992 174.600 0.349 0.000 1.112 471 S CA -0.810 57.491 58.200 0.168 0.000 1.043 471 S CB 2.395 65.677 63.200 0.136 0.000 1.054 471 S HN 0.483 nan 8.310 nan 0.000 0.516 472 L N 1.537 123.002 121.223 0.404 0.000 2.505 472 L HA 0.625 4.964 4.340 -0.001 0.000 0.266 472 L C -0.718 176.363 176.870 0.352 0.000 0.954 472 L CA -0.442 54.687 54.840 0.483 0.000 0.852 472 L CB 2.037 44.466 42.059 0.616 0.000 1.282 472 L HN 0.969 nan 8.230 nan 0.000 0.403 473 R N 3.747 124.469 120.500 0.370 0.000 2.589 473 R HA 0.609 4.949 4.340 -0.001 0.000 0.293 473 R C -1.287 175.174 176.300 0.268 0.000 0.963 473 R CA -0.580 55.687 56.100 0.279 0.000 0.905 473 R CB 1.245 31.649 30.300 0.173 0.000 1.144 473 R HN 0.760 nan 8.270 nan 0.000 0.459 474 N N 4.157 122.975 118.700 0.196 0.000 2.410 474 N HA 0.250 4.989 4.740 -0.001 0.000 0.287 474 N C -1.563 174.044 175.510 0.162 0.000 1.044 474 N CA -0.587 52.569 53.050 0.176 0.000 0.881 474 N CB 1.890 40.460 38.487 0.137 0.000 1.405 474 N HN 0.313 nan 8.380 nan 0.000 0.490 475 L N 3.744 125.086 121.223 0.199 0.000 2.259 475 L HA 0.496 4.835 4.340 -0.001 0.000 0.288 475 L C -0.098 176.905 176.870 0.221 0.000 1.051 475 L CA -0.238 54.740 54.840 0.231 0.000 0.824 475 L CB 0.255 42.496 42.059 0.303 0.000 1.206 475 L HN 0.424 nan 8.230 nan 0.000 0.429 476 I N 3.431 124.127 120.570 0.211 0.000 2.312 476 I HA 0.264 4.434 4.170 -0.001 0.000 0.290 476 I C -0.272 175.917 176.117 0.122 0.000 1.008 476 I CA -0.225 61.149 61.300 0.122 0.000 1.226 476 I CB 1.271 39.319 38.000 0.081 0.000 1.371 476 I HN 0.418 nan 8.210 nan 0.000 0.468 477 D N 5.514 125.906 120.400 -0.014 0.000 2.621 477 D HA 0.241 4.880 4.640 -0.001 0.000 0.274 477 D C 0.275 176.585 176.300 0.016 0.000 1.215 477 D CA -0.172 53.782 54.000 -0.077 0.000 0.810 477 D CB 0.163 40.733 40.800 -0.385 0.000 1.248 477 D HN 0.673 nan 8.370 nan 0.000 0.517 478 H N -0.072 118.960 119.070 -0.063 0.000 1.472 478 H HA -0.304 4.251 4.556 -0.001 0.000 0.090 478 H C 1.449 176.744 175.328 -0.055 0.000 0.607 478 H CA 2.579 58.599 56.048 -0.047 0.000 1.899 478 H CB -1.383 28.355 29.762 -0.040 0.000 2.254 478 H HN 0.336 nan 8.280 nan 0.000 0.961 479 S N 1.637 117.390 115.700 0.088 0.000 2.577 479 S HA 0.368 4.838 4.470 -0.001 0.000 0.219 479 S C 0.531 174.989 174.600 -0.235 0.000 0.962 479 S CA 0.309 58.437 58.200 -0.120 0.000 0.921 479 S CB 0.426 63.551 63.200 -0.125 0.000 0.789 479 S HN 0.417 nan 8.310 nan 0.000 0.497 480 I N 0.584 121.043 120.570 -0.186 0.000 2.686 480 I HA 0.597 4.766 4.170 -0.001 0.000 0.295 480 I C -1.915 174.108 176.117 -0.157 0.000 1.114 480 I CA -1.559 59.607 61.300 -0.223 0.000 1.038 480 I CB 2.086 39.865 38.000 -0.368 0.000 1.238 480 I HN 0.128 nan 8.210 nan 0.000 0.420 481 I N 6.318 126.828 120.570 -0.100 0.000 2.512 481 I HA 0.334 4.504 4.170 -0.001 0.000 0.287 481 I C -1.020 175.076 176.117 -0.035 0.000 1.069 481 I CA -0.528 60.752 61.300 -0.033 0.000 1.056 481 I CB 2.077 40.067 38.000 -0.017 0.000 1.229 481 I HN 0.490 nan 8.210 nan 0.000 0.429 482 E N 4.854 125.066 120.200 0.019 0.000 2.129 482 E HA 0.415 4.764 4.350 -0.001 0.000 0.268 482 E C -1.035 175.467 176.600 -0.162 0.000 0.900 482 E CA -0.494 55.855 56.400 -0.085 0.000 0.755 482 E CB 1.926 31.674 29.700 0.081 0.000 1.117 482 E HN 0.423 nan 8.360 nan 0.000 0.410 483 S N 2.886 118.391 115.700 -0.326 0.000 2.442 483 S HA 0.453 4.923 4.470 -0.001 0.000 0.297 483 S C -0.731 173.616 174.600 -0.422 0.000 1.131 483 S CA -0.642 57.427 58.200 -0.217 0.000 1.092 483 S CB 0.315 63.431 63.200 -0.139 0.000 0.998 483 S HN 0.307 nan 8.310 nan 0.000 0.478 484 F N 1.682 121.667 119.950 0.059 0.000 2.382 484 F HA 0.524 5.051 4.527 -0.000 0.000 0.361 484 F C 0.905 176.859 175.800 0.257 0.000 1.109 484 F CA -0.639 57.443 58.000 0.136 0.000 1.031 484 F CB 1.371 40.433 39.000 0.104 0.000 1.234 484 F HN 0.665 nan 8.300 nan 0.000 0.445 485 G N 1.558 110.581 108.800 0.371 0.000 2.377 485 G HA2 0.491 4.451 3.960 -0.001 0.000 0.299 485 G HA3 0.491 4.451 3.960 -0.001 0.000 0.299 485 G C 0.135 175.248 174.900 0.356 0.000 1.150 485 G CA -0.409 44.954 45.100 0.438 0.000 0.847 485 G HN 1.236 nan 8.290 nan 0.000 0.501 486 A N 0.380 123.374 122.820 0.291 0.000 2.466 486 A HA 0.259 4.578 4.320 -0.001 0.000 0.295 486 A C 1.976 179.667 177.584 0.177 0.000 1.465 486 A CA 1.567 53.710 52.037 0.176 0.000 0.744 486 A CB -1.386 17.686 19.000 0.120 0.000 1.098 486 A HN 3.012 nan 8.150 nan 0.000 0.402 487 G N -1.497 107.435 108.800 0.220 0.000 2.180 487 G HA2 0.210 4.170 3.960 -0.001 0.000 0.263 487 G HA3 0.210 4.170 3.960 -0.001 0.000 0.263 487 G C 1.174 176.193 174.900 0.198 0.000 0.989 487 G CA 1.145 46.258 45.100 0.022 0.000 0.692 487 G HN 3.104 nan 8.290 nan 0.000 0.526 488 G N -1.483 107.588 108.800 0.451 0.000 2.175 488 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.182 488 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.182 488 G C 0.849 175.874 174.900 0.209 0.000 1.003 488 G CA 1.026 46.392 45.100 0.443 0.000 0.666 488 G HN 0.744 nan 8.290 nan 0.000 0.506 489 K N -0.278 120.231 120.400 0.182 0.000 2.217 489 K HA 0.096 4.416 4.320 -0.001 0.000 0.202 489 K C 0.306 177.010 176.600 0.172 0.000 1.051 489 K CA 1.350 57.721 56.287 0.140 0.000 0.952 489 K CB 0.124 32.701 32.500 0.128 0.000 0.736 489 K HN 0.328 nan 8.250 nan 0.000 0.453 490 T N 0.547 115.215 114.554 0.190 0.000 2.965 490 T HA 0.283 4.633 4.350 -0.001 0.000 0.306 490 T C -0.970 173.797 174.700 0.111 0.000 0.991 490 T CA -0.636 61.566 62.100 0.169 0.000 1.001 490 T CB 1.211 70.150 68.868 0.119 0.000 0.984 490 T HN 0.037 nan 8.240 nan 0.000 0.446 491 C N 4.253 123.581 119.300 0.046 0.000 2.382 491 C HA 0.768 5.228 4.460 -0.001 0.000 0.327 491 C C -0.099 174.754 174.990 -0.229 0.000 1.250 491 C CA -0.943 57.942 59.018 -0.221 0.000 1.707 491 C CB -0.193 27.328 27.740 -0.364 0.000 2.272 491 C HN 0.817 nan 8.230 nan 0.000 0.506 492 I N 2.175 122.550 120.570 -0.325 0.000 2.548 492 I HA 0.288 4.458 4.170 -0.001 0.000 0.287 492 I C -0.319 175.620 176.117 -0.296 0.000 1.103 492 I CA 0.092 61.236 61.300 -0.259 0.000 1.049 492 I CB 1.998 39.908 38.000 -0.150 0.000 1.232 492 I HN 0.559 nan 8.210 nan 0.000 0.429 493 T N 4.088 118.466 114.554 -0.293 0.000 2.795 493 T HA 0.473 4.823 4.350 -0.001 0.000 0.282 493 T C -0.141 174.444 174.700 -0.191 0.000 0.980 493 T CA -0.428 61.554 62.100 -0.197 0.000 1.012 493 T CB 1.361 70.188 68.868 -0.069 0.000 0.936 493 T HN 0.489 nan 8.240 nan 0.000 0.457 494 S N 2.850 118.486 115.700 -0.106 0.000 2.536 494 S HA 0.641 5.110 4.470 -0.001 0.000 0.298 494 S C -0.565 173.990 174.600 -0.075 0.000 1.083 494 S CA -1.090 57.088 58.200 -0.036 0.000 0.995 494 S CB 1.251 64.466 63.200 0.025 0.000 1.058 494 S HN 0.374 nan 8.310 nan 0.000 0.488 495 R N 2.763 123.227 120.500 -0.059 0.000 2.437 495 R HA 0.558 4.898 4.340 -0.001 0.000 0.310 495 R C -0.653 175.513 176.300 -0.224 0.000 0.955 495 R CA -0.641 55.350 56.100 -0.181 0.000 0.851 495 R CB 1.090 31.318 30.300 -0.120 0.000 1.161 495 R HN 0.721 nan 8.270 nan 0.000 0.446 496 I N -0.355 119.958 120.570 -0.428 0.000 2.730 496 I HA 0.482 4.652 4.170 -0.001 0.000 0.298 496 I C -1.157 174.611 176.117 -0.582 0.000 1.089 496 I CA -1.010 60.099 61.300 -0.318 0.000 1.041 496 I CB 2.005 39.945 38.000 -0.101 0.000 1.235 496 I HN 0.502 nan 8.210 nan 0.000 0.423 497 Y N 4.506 124.759 120.300 -0.078 0.000 2.470 497 Y HA 0.399 4.948 4.550 -0.001 0.000 0.352 497 Y C -2.429 173.500 175.900 0.047 0.000 0.967 497 Y CA -2.040 55.975 58.100 -0.141 0.000 1.121 497 Y CB 0.570 38.732 38.460 -0.497 0.000 1.149 497 Y HN 0.400 nan 8.280 nan 0.000 0.641 498 P HA -0.018 nan 4.420 nan 0.000 0.269 498 P C 0.581 177.900 177.300 0.031 0.000 1.209 498 P CA 0.008 63.142 63.100 0.056 0.000 0.776 498 P CB 1.835 33.482 31.700 -0.088 0.000 0.876 499 K N 2.322 122.771 120.400 0.082 0.000 2.116 499 K HA -0.106 4.214 4.320 -0.001 0.000 0.203 499 K C 1.969 178.586 176.600 0.029 0.000 1.052 499 K CA 1.003 57.345 56.287 0.091 0.000 0.952 499 K CB -0.511 32.060 32.500 0.119 0.000 0.729 499 K HN 0.434 nan 8.250 nan 0.000 0.446 500 F N 1.291 121.294 119.950 0.089 0.000 2.236 500 F HA -0.172 4.355 4.527 -0.001 0.000 0.302 500 F C 1.572 177.401 175.800 0.049 0.000 1.073 500 F CA 0.955 58.995 58.000 0.067 0.000 1.336 500 F CB -1.366 37.678 39.000 0.073 0.000 1.040 500 F HN -0.130 nan 8.300 nan 0.000 0.507 501 V N -0.396 119.123 119.914 -0.658 0.000 2.982 501 V HA -0.255 3.865 4.120 -0.001 0.000 0.265 501 V C 1.536 177.532 176.094 -0.162 0.000 1.122 501 V CA 2.238 64.280 62.300 -0.429 0.000 1.143 501 V CB -1.706 29.789 31.823 -0.546 0.000 0.726 501 V HN 0.476 nan 8.190 nan 0.000 0.507 502 N N 0.755 119.395 118.700 -0.101 0.000 2.463 502 N HA 0.052 4.792 4.740 -0.001 0.000 0.181 502 N C 1.154 176.675 175.510 0.018 0.000 1.078 502 N CA 1.233 54.253 53.050 -0.050 0.000 0.902 502 N CB -0.004 38.465 38.487 -0.029 0.000 0.970 502 N HN 0.769 nan 8.380 nan 0.000 0.451 503 N N -0.676 118.068 118.700 0.073 0.000 3.166 503 N HA 0.015 4.755 4.740 -0.001 0.000 0.242 503 N C -0.301 175.280 175.510 0.119 0.000 1.017 503 N CA -0.072 53.031 53.050 0.089 0.000 1.113 503 N CB 0.117 38.660 38.487 0.094 0.000 1.629 503 N HN 0.204 nan 8.380 nan 0.000 0.601 504 E N 1.457 121.771 120.200 0.190 0.000 2.280 504 E HA 0.301 4.651 4.350 -0.001 0.000 0.261 504 E C -0.783 175.975 176.600 0.263 0.000 1.088 504 E CA -0.536 55.980 56.400 0.195 0.000 0.915 504 E CB 1.201 31.007 29.700 0.177 0.000 1.141 504 E HN 0.141 nan 8.360 nan 0.000 0.433 505 E N -0.154 120.147 120.200 0.168 0.000 2.345 505 E HA 0.394 4.743 4.350 -0.001 0.000 0.259 505 E C -0.478 176.220 176.600 0.164 0.000 1.117 505 E CA -0.698 55.776 56.400 0.123 0.000 0.913 505 E CB 1.165 30.846 29.700 -0.032 0.000 1.057 505 E HN 0.600 nan 8.360 nan 0.000 0.432 506 A N 1.563 124.493 122.820 0.183 0.000 2.271 506 A HA 0.407 4.726 4.320 -0.001 0.000 0.288 506 A C -0.835 176.648 177.584 -0.168 0.000 1.094 506 A CA -0.219 51.957 52.037 0.232 0.000 0.828 506 A CB 0.316 19.511 19.000 0.324 0.000 1.091 506 A HN 0.617 nan 8.150 nan 0.000 0.493 507 H N -1.471 117.563 119.070 -0.060 0.000 2.834 507 H HA 0.689 5.244 4.556 -0.001 0.000 0.369 507 H C -1.190 174.005 175.328 -0.221 0.000 1.174 507 H CA -0.544 55.376 56.048 -0.213 0.000 1.165 507 H CB 1.606 31.210 29.762 -0.263 0.000 1.820 507 H HN 0.536 nan 8.280 nan 0.000 0.558 508 L N 1.895 122.895 121.223 -0.371 0.000 2.385 508 L HA 0.596 4.936 4.340 -0.001 0.000 0.273 508 L C -1.876 174.685 176.870 -0.515 0.000 0.990 508 L CA -0.373 54.317 54.840 -0.250 0.000 0.821 508 L CB 0.524 42.488 42.059 -0.159 0.000 1.279 508 L HN 0.529 nan 8.230 nan 0.000 0.412 509 F N 3.329 123.318 119.950 0.065 0.000 2.613 509 F HA 0.739 5.266 4.527 -0.001 0.000 0.314 509 F C -0.452 175.459 175.800 0.186 0.000 1.075 509 F CA -0.924 57.131 58.000 0.091 0.000 0.945 509 F CB 2.300 41.345 39.000 0.074 0.000 1.310 509 F HN 0.116 nan 8.300 nan 0.000 0.467 510 V N 2.519 122.689 119.914 0.428 0.000 2.555 510 V HA 0.636 4.755 4.120 -0.001 0.000 0.302 510 V C -0.853 175.521 176.094 0.466 0.000 1.038 510 V CA -0.826 61.716 62.300 0.404 0.000 0.887 510 V CB 1.693 33.680 31.823 0.273 0.000 0.991 510 V HN 0.644 nan 8.190 nan 0.000 0.434 511 F N 2.252 122.341 119.950 0.232 0.000 2.662 511 F HA 0.826 5.352 4.527 -0.000 0.000 0.312 511 F C -1.029 174.849 175.800 0.130 0.000 1.113 511 F CA -0.964 57.120 58.000 0.140 0.000 0.951 511 F CB 2.240 41.278 39.000 0.062 0.000 1.344 511 F HN 0.393 nan 8.300 nan 0.000 0.462 512 N N 1.773 120.437 118.700 -0.061 0.000 2.594 512 N HA 0.241 4.981 4.740 -0.001 0.000 0.280 512 N C -1.575 173.934 175.510 -0.001 0.000 1.156 512 N CA -0.367 52.586 53.050 -0.162 0.000 0.831 512 N CB 0.897 39.331 38.487 -0.087 0.000 1.379 512 N HN 0.743 nan 8.380 nan 0.000 0.536 513 N N 1.429 120.134 118.700 0.008 0.000 2.276 513 N HA 0.232 4.971 4.740 -0.001 0.000 0.212 513 N C 0.244 175.741 175.510 -0.022 0.000 1.127 513 N CA 0.059 53.140 53.050 0.052 0.000 0.834 513 N CB 0.466 39.018 38.487 0.109 0.000 1.014 513 N HN 0.682 nan 8.380 nan 0.000 0.491 514 G N -1.039 107.738 108.800 -0.038 0.000 2.557 514 G HA2 0.198 4.157 3.960 -0.001 0.000 0.292 514 G HA3 0.198 4.157 3.960 -0.001 0.000 0.292 514 G C 0.978 175.865 174.900 -0.022 0.000 1.237 514 G CA -0.032 45.049 45.100 -0.032 0.000 0.978 514 G HN 0.232 nan 8.290 nan 0.000 0.498 515 T N -2.586 111.958 114.554 -0.017 0.000 3.057 515 T HA 0.166 4.516 4.350 -0.001 0.000 0.254 515 T C 0.797 175.485 174.700 -0.021 0.000 1.094 515 T CA 0.352 62.444 62.100 -0.014 0.000 1.088 515 T CB 0.194 69.059 68.868 -0.005 0.000 0.934 515 T HN 0.295 nan 8.240 nan 0.000 0.497 516 Q N 1.894 121.676 119.800 -0.031 0.000 2.214 516 Q HA 0.367 4.707 4.340 -0.001 0.000 0.251 516 Q C -0.491 175.465 176.000 -0.074 0.000 0.936 516 Q CA -0.489 55.285 55.803 -0.047 0.000 0.894 516 Q CB 1.195 29.902 28.738 -0.051 0.000 1.252 516 Q HN 0.309 nan 8.270 nan 0.000 0.448 517 N N 0.827 119.479 118.700 -0.080 0.000 2.529 517 N HA 0.309 5.049 4.740 -0.001 0.000 0.278 517 N C -0.957 174.458 175.510 -0.159 0.000 1.146 517 N CA -0.031 52.962 53.050 -0.095 0.000 0.980 517 N CB 1.038 39.486 38.487 -0.065 0.000 1.124 517 N HN 0.365 nan 8.380 nan 0.000 0.458 518 V N -0.073 119.723 119.914 -0.196 0.000 2.962 518 V HA 0.639 4.759 4.120 -0.001 0.000 0.313 518 V C -0.552 175.465 176.094 -0.129 0.000 1.099 518 V CA -1.033 61.095 62.300 -0.286 0.000 0.971 518 V CB 1.843 33.261 31.823 -0.675 0.000 1.028 518 V HN 0.646 nan 8.190 nan 0.000 0.430 519 K N 2.576 122.931 120.400 -0.076 0.000 2.316 519 K HA 0.689 5.009 4.320 -0.001 0.000 0.251 519 K C -1.288 175.343 176.600 0.052 0.000 0.934 519 K CA -0.957 55.327 56.287 -0.006 0.000 0.802 519 K CB 2.175 34.658 32.500 -0.030 0.000 1.171 519 K HN 0.843 nan 8.250 nan 0.000 0.426 520 I N 4.455 125.040 120.570 0.025 0.000 2.291 520 I HA -0.006 4.164 4.170 -0.001 0.000 0.292 520 I C 1.389 177.462 176.117 -0.073 0.000 1.064 520 I CA -0.234 61.025 61.300 -0.069 0.000 1.269 520 I CB 1.394 39.349 38.000 -0.076 0.000 1.418 520 I HN 0.835 nan 8.210 nan 0.000 0.485 521 S N 4.371 120.021 115.700 -0.084 0.000 2.355 521 S HA -0.079 4.390 4.470 -0.001 0.000 0.222 521 S C 0.598 175.157 174.600 -0.068 0.000 1.031 521 S CA 0.560 58.724 58.200 -0.060 0.000 0.993 521 S CB 0.071 63.241 63.200 -0.049 0.000 0.859 521 S HN 0.749 nan 8.310 nan 0.000 0.453 522 E N -0.744 119.399 120.200 -0.095 0.000 2.372 522 E HA 0.571 4.921 4.350 -0.001 0.000 0.279 522 E C -1.760 174.770 176.600 -0.117 0.000 0.946 522 E CA -0.731 55.617 56.400 -0.087 0.000 0.769 522 E CB 1.621 31.286 29.700 -0.057 0.000 1.230 522 E HN 0.265 nan 8.360 nan 0.000 0.442 523 M N 2.768 122.300 119.600 -0.113 0.000 2.277 523 M HA 0.392 4.871 4.480 -0.001 0.000 0.282 523 M C -1.888 174.312 176.300 -0.165 0.000 1.074 523 M CA -0.371 54.854 55.300 -0.124 0.000 0.954 523 M CB 2.081 34.610 32.600 -0.118 0.000 1.672 523 M HN 0.522 nan 8.290 nan 0.000 0.471 524 S N 2.894 118.476 115.700 -0.198 0.000 2.502 524 S HA 0.897 5.366 4.470 -0.001 0.000 0.304 524 S C -0.898 173.425 174.600 -0.462 0.000 1.097 524 S CA -0.668 57.259 58.200 -0.455 0.000 1.045 524 S CB 1.793 64.633 63.200 -0.599 0.000 1.019 524 S HN 0.722 nan 8.310 nan 0.000 0.481 525 A N 3.377 125.853 122.820 -0.573 0.000 2.374 525 A HA 0.773 5.093 4.320 -0.001 0.000 0.305 525 A C -1.429 175.922 177.584 -0.388 0.000 1.053 525 A CA -0.651 51.203 52.037 -0.305 0.000 0.726 525 A CB 1.101 20.003 19.000 -0.163 0.000 1.229 525 A HN 0.788 nan 8.150 nan 0.000 0.431 526 W N 1.543 122.815 121.300 -0.046 0.000 2.702 526 W HA 0.441 5.100 4.660 -0.001 0.000 0.331 526 W C -0.262 176.218 176.519 -0.064 0.000 1.049 526 W CA -0.588 56.721 57.345 -0.060 0.000 1.230 526 W CB 2.474 31.884 29.460 -0.083 0.000 1.408 526 W HN 0.647 nan 8.180 nan 0.000 0.492 527 S N 3.296 119.097 115.700 0.168 0.000 2.548 527 S HA 0.373 4.842 4.470 -0.001 0.000 0.277 527 S C 0.206 174.843 174.600 0.063 0.000 1.315 527 S CA -0.404 57.847 58.200 0.086 0.000 1.050 527 S CB 0.535 63.768 63.200 0.055 0.000 0.918 527 S HN 0.165 nan 8.310 nan 0.000 0.497 528 M N 3.782 123.394 119.600 0.021 0.000 2.149 528 M HA 0.276 4.756 4.480 -0.001 0.000 0.342 528 M C 0.102 176.401 176.300 -0.002 0.000 1.068 528 M CA -0.679 54.568 55.300 -0.088 0.000 0.991 528 M CB 1.028 33.447 32.600 -0.302 0.000 1.596 528 M HN 0.632 nan 8.290 nan 0.000 0.439 529 K N 2.571 122.955 120.400 -0.027 0.000 2.168 529 K HA 0.294 4.614 4.320 -0.001 0.000 0.258 529 K C -0.337 176.309 176.600 0.076 0.000 1.010 529 K CA -0.399 55.906 56.287 0.029 0.000 0.929 529 K CB 0.848 33.349 32.500 0.003 0.000 0.998 529 K HN 0.545 nan 8.250 nan 0.000 0.479 530 N N -0.066 118.706 118.700 0.120 0.000 2.395 530 N HA 0.046 4.786 4.740 -0.001 0.000 0.246 530 N C -0.588 175.006 175.510 0.141 0.000 1.246 530 N CA -0.315 52.841 53.050 0.176 0.000 0.879 530 N CB 0.635 39.211 38.487 0.148 0.000 1.098 530 N HN 0.696 nan 8.380 nan 0.000 0.444 531 A N 1.779 124.726 122.820 0.212 0.000 2.302 531 A HA 0.249 4.568 4.320 -0.001 0.000 0.285 531 A C -0.103 177.479 177.584 -0.004 0.000 1.105 531 A CA -0.437 51.645 52.037 0.076 0.000 0.816 531 A CB 0.503 19.577 19.000 0.123 0.000 1.067 531 A HN 0.604 nan 8.150 nan 0.000 0.489 532 K N 0.338 120.644 120.400 -0.157 0.000 2.205 532 K HA 0.465 4.785 4.320 -0.001 0.000 0.279 532 K C -1.669 174.724 176.600 -0.344 0.000 1.027 532 K CA 0.450 56.665 56.287 -0.121 0.000 0.932 532 K CB 0.691 33.140 32.500 -0.085 0.000 1.032 532 K HN 0.500 nan 8.250 nan 0.000 0.466 533 F N 2.087 122.055 119.950 0.029 0.000 2.646 533 F HA 0.216 4.742 4.527 -0.000 0.000 0.364 533 F C -0.525 175.292 175.800 0.028 0.000 1.137 533 F CA -0.918 57.084 58.000 0.004 0.000 1.085 533 F CB 1.203 40.214 39.000 0.018 0.000 1.331 533 F HN 0.090 nan 8.300 nan 0.000 0.472 534 V N 3.909 123.894 119.914 0.118 0.000 2.539 534 V HA 0.467 4.587 4.120 -0.001 0.000 0.292 534 V C -0.109 176.077 176.094 0.154 0.000 1.045 534 V CA -0.849 61.521 62.300 0.117 0.000 0.945 534 V CB 1.856 33.718 31.823 0.066 0.000 0.993 534 V HN 0.331 nan 8.190 nan 0.000 0.464 535 V N 3.308 123.320 119.914 0.164 0.000 2.394 535 V HA 0.417 4.537 4.120 -0.001 0.000 0.282 535 V C -0.192 175.978 176.094 0.125 0.000 1.031 535 V CA -0.185 62.218 62.300 0.173 0.000 0.881 535 V CB 1.608 33.512 31.823 0.136 0.000 0.982 535 V HN 0.969 nan 8.190 nan 0.000 0.451 536 D N 3.765 124.242 120.400 0.128 0.000 2.772 536 D HA 0.315 4.955 4.640 -0.001 0.000 0.326 536 D C 0.075 176.446 176.300 0.118 0.000 1.207 536 D CA -0.162 53.911 54.000 0.122 0.000 0.777 536 D CB 0.628 41.517 40.800 0.150 0.000 1.169 536 D HN 0.630 nan 8.370 nan 0.000 0.506 537 Q N -0.134 119.725 119.800 0.098 0.000 3.083 537 Q HA 0.566 4.905 4.340 -0.001 0.000 0.197 537 Q C 0.026 176.068 176.000 0.070 0.000 1.107 537 Q CA -0.947 54.907 55.803 0.085 0.000 0.675 537 Q CB 0.626 29.404 28.738 0.067 0.000 3.807 537 Q HN 0.258 nan 8.270 nan 0.000 0.357 538 S N 0.000 115.732 115.700 0.054 0.000 2.498 538 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 538 S CA 0.000 58.225 58.200 0.042 0.000 1.107 538 S CB 0.000 63.223 63.200 0.038 0.000 0.593 538 S HN 0.000 nan 8.310 nan 0.000 0.517