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 2ciy_1_A DATA FIRST_RESID 1 DATA SEQUENCE EPGSGIGYPY DNNTLPYVAP GPTDSRAPCP ALNALANHGY IPHDGRAISR DATA SEQUENCE ETLQNAFLNH MGIANSVIEL ALTNAFVVcE YVTGSDcGDS LVNLTLLAEP DATA SEQUENCE HAFEHDHSFS RKDYKQGVAN SNDFIDNRNF DAETFQTSLD VVAGKTHFDY DATA SEQUENCE ADMNEIRLQR ESLSNELDFP GWFTESKPIQ NVESGFIFAL VSDFNLPDND DATA SEQUENCE ENPLVRIDWW KYWFTNESFP YHLGWHPPSP AREIEFVTSA SSAVLAASVT DATA SEQUENCE STPSSLPSGA IGPGAEAVPL SFASTMTPFL LATNAPYYAQ DPTLGPND 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.646 176.600 0.077 0.000 1.382 1 E CA 0.000 56.454 56.400 0.091 0.000 0.976 1 E CB 0.000 29.741 29.700 0.068 0.000 0.812 2 P HA -0.193 nan 4.420 nan 0.000 0.216 2 P C 1.193 178.514 177.300 0.035 0.000 1.150 2 P CA 1.541 64.682 63.100 0.068 0.000 0.843 2 P CB 0.148 31.888 31.700 0.067 0.000 0.787 3 G N -0.016 108.798 108.800 0.024 0.000 2.679 3 G HA2 -0.145 3.826 3.960 0.018 0.000 0.212 3 G HA3 -0.145 3.826 3.960 0.018 0.000 0.212 3 G C 1.650 176.545 174.900 -0.008 0.000 1.137 3 G CA 0.819 45.919 45.100 0.000 0.000 0.787 3 G HN 0.440 nan 8.290 nan 0.000 0.534 4 S N -0.093 115.612 115.700 0.010 0.000 2.423 4 S HA 0.201 4.681 4.470 0.018 0.000 0.231 4 S C 2.175 176.768 174.600 -0.012 0.000 1.014 4 S CA 1.202 59.408 58.200 0.011 0.000 0.965 4 S CB -0.477 62.746 63.200 0.040 0.000 0.785 4 S HN 1.434 nan 8.310 nan 0.000 0.495 5 G N 1.274 110.058 108.800 -0.027 0.000 2.180 5 G HA2 -0.304 3.667 3.960 0.018 0.000 0.263 5 G HA3 -0.304 3.667 3.960 0.018 0.000 0.263 5 G C 0.611 175.507 174.900 -0.007 0.000 0.989 5 G CA 0.617 45.695 45.100 -0.037 0.000 0.692 5 G HN 0.603 nan 8.290 nan 0.000 0.526 6 I N 0.553 121.090 120.570 -0.054 0.000 2.264 6 I HA -0.105 4.076 4.170 0.018 0.000 0.248 6 I C 2.846 178.756 176.117 -0.344 0.000 1.111 6 I CA 1.774 62.989 61.300 -0.142 0.000 1.382 6 I CB -0.277 37.633 38.000 -0.151 0.000 1.060 6 I HN 0.294 nan 8.210 nan 0.000 0.418 7 G N -0.772 107.813 108.800 -0.359 0.000 2.572 7 G HA2 -0.199 3.772 3.960 0.018 0.000 0.216 7 G HA3 -0.199 3.772 3.960 0.018 0.000 0.216 7 G C 0.553 175.484 174.900 0.053 0.000 1.133 7 G CA -0.176 44.778 45.100 -0.244 0.000 0.791 7 G HN 0.290 nan 8.290 nan 0.000 0.538 8 Y N 2.308 122.558 120.300 -0.084 0.000 2.497 8 Y HA 0.311 4.871 4.550 0.017 0.000 0.334 8 Y C -1.261 174.539 175.900 -0.166 0.000 1.199 8 Y CA -1.808 56.223 58.100 -0.114 0.000 1.425 8 Y CB 1.514 39.916 38.460 -0.097 0.000 1.291 8 Y HN -0.035 nan 8.280 nan 0.000 0.562 9 P HA 0.065 nan 4.420 nan 0.000 0.263 9 P C -0.196 176.621 177.300 -0.805 0.000 1.448 9 P CA 0.535 62.919 63.100 -1.195 0.000 0.983 9 P CB -0.001 30.868 31.700 -1.386 0.000 1.481 10 Y N 0.073 120.157 120.300 -0.361 0.000 2.347 10 Y HA 0.141 4.700 4.550 0.016 0.000 0.294 10 Y C 1.032 176.791 175.900 -0.235 0.000 1.117 10 Y CA 0.694 58.594 58.100 -0.334 0.000 1.184 10 Y CB 0.058 38.276 38.460 -0.404 0.000 1.047 10 Y HN -0.021 nan 8.280 nan 0.000 0.546 11 D N -0.645 119.752 120.400 -0.006 0.000 2.542 11 D HA 0.171 4.822 4.640 0.018 0.000 0.252 11 D C -0.618 175.689 176.300 0.012 0.000 1.222 11 D CA -0.229 53.757 54.000 -0.024 0.000 0.895 11 D CB 0.429 41.258 40.800 0.048 0.000 1.207 11 D HN -0.050 nan 8.370 nan 0.000 0.558 12 N N 2.769 121.466 118.700 -0.005 0.000 2.314 12 N HA 0.048 4.799 4.740 0.018 0.000 0.200 12 N C -0.183 175.371 175.510 0.073 0.000 1.135 12 N CA 0.111 53.198 53.050 0.060 0.000 0.835 12 N CB 0.046 38.561 38.487 0.046 0.000 0.989 12 N HN 0.511 nan 8.380 nan 0.000 0.478 13 N N 0.579 119.338 118.700 0.098 0.000 2.673 13 N HA 0.008 4.759 4.740 0.018 0.000 0.265 13 N C -0.850 174.820 175.510 0.267 0.000 1.709 13 N CA -0.029 53.114 53.050 0.154 0.000 0.792 13 N CB 0.526 39.093 38.487 0.135 0.000 1.286 13 N HN -0.011 nan 8.380 nan 0.000 0.506 14 T N -0.869 113.819 114.554 0.223 0.000 2.849 14 T HA 0.569 4.929 4.350 0.018 0.000 0.284 14 T C 0.180 175.050 174.700 0.283 0.000 1.004 14 T CA -0.383 61.899 62.100 0.303 0.000 1.021 14 T CB 1.726 70.723 68.868 0.215 0.000 1.013 14 T HN 0.111 nan 8.240 nan 0.000 0.527 15 L N 1.501 122.911 121.223 0.312 0.000 2.371 15 L HA 0.556 4.907 4.340 0.018 0.000 0.262 15 L C -2.325 174.668 176.870 0.205 0.000 1.006 15 L CA -2.796 52.132 54.840 0.146 0.000 0.818 15 L CB 2.825 44.871 42.059 -0.021 0.000 1.354 15 L HN 0.544 nan 8.230 nan 0.000 0.415 16 P HA 0.018 nan 4.420 nan 0.000 0.274 16 P C -1.183 176.057 177.300 -0.099 0.000 1.237 16 P CA -0.250 62.918 63.100 0.114 0.000 0.793 16 P CB 0.526 32.264 31.700 0.063 0.000 0.977 17 Y N 2.052 122.145 120.300 -0.345 0.000 2.526 17 Y HA 0.252 4.813 4.550 0.018 0.000 0.330 17 Y C -0.681 175.052 175.900 -0.277 0.000 1.156 17 Y CA 0.444 58.194 58.100 -0.585 0.000 1.419 17 Y CB 0.279 38.532 38.460 -0.344 0.000 1.250 17 Y HN 0.054 nan 8.280 nan 0.000 0.540 18 V N 6.757 126.146 119.914 -0.876 0.000 2.525 18 V HA 0.579 4.710 4.120 0.018 0.000 0.299 18 V C -0.056 175.457 176.094 -0.968 0.000 1.034 18 V CA -0.956 60.928 62.300 -0.694 0.000 0.863 18 V CB 1.068 32.605 31.823 -0.476 0.000 0.999 18 V HN 1.063 nan 8.190 nan 0.000 0.423 19 A N 7.582 129.926 122.820 -0.793 0.000 2.483 19 A HA 0.543 4.873 4.320 0.018 0.000 0.238 19 A C -2.079 175.228 177.584 -0.462 0.000 1.070 19 A CA -0.737 50.944 52.037 -0.592 0.000 0.770 19 A CB -0.186 18.542 19.000 -0.454 0.000 1.008 19 A HN 0.629 nan 8.150 nan 0.000 0.497 20 P HA 0.223 nan 4.420 nan 0.000 0.271 20 P C 0.344 177.494 177.300 -0.250 0.000 1.216 20 P CA 0.321 63.294 63.100 -0.212 0.000 0.771 20 P CB 0.847 32.495 31.700 -0.087 0.000 0.864 21 G N 3.434 112.117 108.800 -0.194 0.000 2.562 21 G HA2 0.302 4.273 3.960 0.018 0.000 0.275 21 G HA3 0.302 4.273 3.960 0.018 0.000 0.275 21 G C -1.662 173.196 174.900 -0.071 0.000 1.196 21 G CA -1.454 43.552 45.100 -0.157 0.000 0.908 21 G HN 0.252 nan 8.290 nan 0.000 0.524 22 P HA -0.107 nan 4.420 nan 0.000 0.218 22 P C 1.912 179.207 177.300 -0.007 0.000 1.146 22 P CA 2.065 65.164 63.100 -0.003 0.000 0.813 22 P CB 0.137 31.837 31.700 -0.001 0.000 0.778 23 T N -5.907 108.634 114.554 -0.022 0.000 3.081 23 T HA 0.064 4.425 4.350 0.018 0.000 0.250 23 T C 0.562 175.252 174.700 -0.018 0.000 1.100 23 T CA -0.214 61.875 62.100 -0.018 0.000 1.038 23 T CB -0.532 68.323 68.868 -0.022 0.000 0.962 23 T HN -0.090 nan 8.240 nan 0.000 0.516 24 D N 2.624 123.009 120.400 -0.025 0.000 2.399 24 D HA 0.233 4.884 4.640 0.018 0.000 0.241 24 D C -0.216 176.079 176.300 -0.008 0.000 1.133 24 D CA 0.234 54.221 54.000 -0.022 0.000 0.890 24 D CB 1.457 42.234 40.800 -0.038 0.000 1.201 24 D HN 0.266 nan 8.370 nan 0.000 0.432 25 S N 1.838 117.534 115.700 -0.006 0.000 2.475 25 S HA 0.356 4.836 4.470 0.018 0.000 0.281 25 S C -0.260 174.340 174.600 -0.001 0.000 1.198 25 S CA -0.719 57.480 58.200 -0.002 0.000 1.063 25 S CB 0.396 63.593 63.200 -0.007 0.000 0.972 25 S HN 0.215 nan 8.310 nan 0.000 0.486 26 R N 1.865 122.369 120.500 0.008 0.000 2.892 26 R HA 0.750 5.101 4.340 0.018 0.000 0.265 26 R C -0.238 176.062 176.300 0.001 0.000 1.025 26 R CA -0.733 55.373 56.100 0.011 0.000 0.982 26 R CB 1.522 31.843 30.300 0.035 0.000 1.185 26 R HN 0.686 nan 8.270 nan 0.000 0.484 27 A N 1.665 124.481 122.820 -0.007 0.000 2.261 27 A HA 0.584 4.915 4.320 0.018 0.000 0.323 27 A C -1.896 175.661 177.584 -0.045 0.000 1.107 27 A CA -1.291 50.727 52.037 -0.033 0.000 0.883 27 A CB 0.562 19.541 19.000 -0.033 0.000 1.251 27 A HN 0.482 nan 8.150 nan 0.000 0.502 28 P HA 0.098 nan 4.420 nan 0.000 0.253 28 P C 0.021 177.251 177.300 -0.117 0.000 1.260 28 P CA 0.287 63.329 63.100 -0.097 0.000 0.800 28 P CB -0.344 31.291 31.700 -0.109 0.000 1.162 29 C N 2.965 122.211 119.300 -0.089 0.000 2.281 29 C HA 0.468 4.939 4.460 0.018 0.000 0.325 29 C C -1.065 173.889 174.990 -0.061 0.000 1.282 29 C CA -2.544 56.444 59.018 -0.050 0.000 1.640 29 C CB 1.059 28.815 27.740 0.026 0.000 2.288 29 C HN 0.112 nan 8.230 nan 0.000 0.507 30 P HA -0.032 nan 4.420 nan 0.000 0.221 30 P C 1.216 178.662 177.300 0.243 0.000 1.150 30 P CA 1.734 64.657 63.100 -0.295 0.000 0.800 30 P CB 0.120 31.112 31.700 -1.180 0.000 0.787 31 A N 0.498 123.604 122.820 0.477 0.000 1.854 31 A HA -0.080 4.251 4.320 0.018 0.000 0.214 31 A C 2.389 180.166 177.584 0.322 0.000 1.192 31 A CA 1.144 53.547 52.037 0.609 0.000 0.611 31 A CB -1.547 17.900 19.000 0.746 0.000 0.832 31 A HN 0.090 nan 8.150 nan 0.000 0.442 32 L N -0.020 121.364 121.223 0.268 0.000 2.042 32 L HA -0.229 4.121 4.340 0.018 0.000 0.210 32 L C 2.281 179.196 176.870 0.075 0.000 1.076 32 L CA 1.310 56.236 54.840 0.143 0.000 0.749 32 L CB -0.735 41.404 42.059 0.133 0.000 0.893 32 L HN 0.361 nan 8.230 nan 0.000 0.432 33 N N 0.328 119.070 118.700 0.071 0.000 2.120 33 N HA -0.139 4.611 4.740 0.018 0.000 0.188 33 N C 1.905 177.435 175.510 0.033 0.000 1.024 33 N CA 1.539 54.611 53.050 0.036 0.000 0.852 33 N CB -0.366 38.136 38.487 0.025 0.000 1.003 33 N HN 0.319 nan 8.380 nan 0.000 0.424 34 A N 1.284 124.139 122.820 0.058 0.000 1.902 34 A HA -0.060 4.271 4.320 0.018 0.000 0.217 34 A C 2.377 180.018 177.584 0.095 0.000 1.181 34 A CA 0.933 52.955 52.037 -0.025 0.000 0.623 34 A CB -0.781 18.044 19.000 -0.293 0.000 0.818 34 A HN 0.210 nan 8.150 nan 0.000 0.443 35 L N -0.821 120.489 121.223 0.145 0.000 2.012 35 L HA -0.233 4.118 4.340 0.018 0.000 0.210 35 L C 3.131 180.006 176.870 0.008 0.000 1.073 35 L CA 1.252 56.197 54.840 0.174 0.000 0.748 35 L CB -0.605 41.453 42.059 -0.002 0.000 0.891 35 L HN 0.454 nan 8.230 nan 0.000 0.431 36 A N 0.023 122.816 122.820 -0.046 0.000 1.933 36 A HA -0.203 4.128 4.320 0.018 0.000 0.218 36 A C 1.994 179.440 177.584 -0.231 0.000 1.175 36 A CA 1.811 53.767 52.037 -0.134 0.000 0.628 36 A CB -0.568 18.392 19.000 -0.068 0.000 0.814 36 A HN 0.431 nan 8.150 nan 0.000 0.444 37 N N -0.270 118.327 118.700 -0.173 0.000 2.289 37 N HA -0.116 4.634 4.740 0.018 0.000 0.184 37 N C 1.185 176.429 175.510 -0.444 0.000 1.016 37 N CA 1.157 54.024 53.050 -0.305 0.000 0.872 37 N CB -0.448 37.854 38.487 -0.309 0.000 0.973 37 N HN 0.650 nan 8.380 nan 0.000 0.433 38 H N -1.056 117.775 119.070 -0.398 0.000 2.551 38 H HA 0.190 4.757 4.556 0.017 0.000 0.271 38 H C 0.975 175.749 175.328 -0.924 0.000 0.984 38 H CA 0.610 56.288 56.048 -0.617 0.000 1.164 38 H CB 0.448 29.682 29.762 -0.879 0.000 1.437 38 H HN 0.236 nan 8.280 nan 0.000 0.550 39 G N 1.169 109.378 108.800 -0.985 0.000 2.153 39 G HA2 -0.351 3.619 3.960 0.018 0.000 0.252 39 G HA3 -0.351 3.619 3.960 0.018 0.000 0.252 39 G C 0.443 175.092 174.900 -0.418 0.000 0.994 39 G CA 0.595 45.077 45.100 -1.031 0.000 0.698 39 G HN 0.398 nan 8.290 nan 0.000 0.521 40 Y N 0.024 120.195 120.300 -0.214 0.000 2.314 40 Y HA 0.264 4.825 4.550 0.018 0.000 0.293 40 Y C 2.134 177.982 175.900 -0.087 0.000 1.129 40 Y CA 0.658 58.665 58.100 -0.155 0.000 1.201 40 Y CB -0.174 38.173 38.460 -0.188 0.000 0.999 40 Y HN 0.692 nan 8.280 nan 0.000 0.541 41 I N -3.183 117.399 120.570 0.020 0.000 2.910 41 I HA 0.539 4.719 4.170 0.018 0.000 0.310 41 I C -2.772 173.295 176.117 -0.083 0.000 1.043 41 I CA -2.936 58.363 61.300 -0.002 0.000 1.053 41 I CB 1.842 39.852 38.000 0.017 0.000 1.242 41 I HN -0.374 nan 8.210 nan 0.000 0.452 42 P HA 0.017 nan 4.420 nan 0.000 0.262 42 P C -0.192 177.064 177.300 -0.074 0.000 1.182 42 P CA 0.599 63.671 63.100 -0.046 0.000 0.761 42 P CB 0.173 31.876 31.700 0.005 0.000 0.795 43 H N 1.862 120.891 119.070 -0.068 0.000 2.426 43 H HA -0.200 4.369 4.556 0.021 0.000 0.298 43 H C 1.497 176.771 175.328 -0.092 0.000 1.107 43 H CA 2.022 58.005 56.048 -0.107 0.000 1.298 43 H CB 0.030 29.715 29.762 -0.129 0.000 1.377 43 H HN 0.550 nan 8.280 nan 0.000 0.519 44 D N -0.920 119.513 120.400 0.054 0.000 2.355 44 D HA 0.022 4.673 4.640 0.018 0.000 0.218 44 D C 1.543 177.844 176.300 0.001 0.000 1.004 44 D CA 0.737 54.745 54.000 0.013 0.000 0.880 44 D CB -0.397 40.408 40.800 0.008 0.000 0.911 44 D HN 0.382 nan 8.370 nan 0.000 0.528 45 G N 0.382 109.181 108.800 -0.003 0.000 2.198 45 G HA2 -0.331 3.640 3.960 0.018 0.000 0.260 45 G HA3 -0.331 3.640 3.960 0.018 0.000 0.260 45 G C 0.019 174.918 174.900 -0.002 0.000 1.025 45 G CA 0.227 45.324 45.100 -0.006 0.000 0.769 45 G HN 0.511 nan 8.290 nan 0.000 0.507 46 R N -0.928 119.575 120.500 0.006 0.000 2.807 46 R HA 0.706 5.056 4.340 0.018 0.000 0.276 46 R C 0.642 176.956 176.300 0.024 0.000 0.979 46 R CA -0.483 55.623 56.100 0.009 0.000 0.928 46 R CB 1.719 32.024 30.300 0.008 0.000 1.191 46 R HN 1.546 nan 8.270 nan 0.000 0.471 47 A N 1.978 124.817 122.820 0.031 0.000 2.475 47 A HA -0.163 4.168 4.320 0.018 0.000 0.295 47 A C -0.304 177.327 177.584 0.077 0.000 1.457 47 A CA 0.477 52.547 52.037 0.055 0.000 0.734 47 A CB -1.845 17.184 19.000 0.048 0.000 1.118 47 A HN 0.586 nan 8.150 nan 0.000 0.400 48 I N 1.634 122.262 120.570 0.095 0.000 2.362 48 I HA 0.459 4.640 4.170 0.018 0.000 0.289 48 I C 0.900 177.152 176.117 0.225 0.000 0.994 48 I CA -0.029 61.346 61.300 0.125 0.000 1.158 48 I CB 2.018 40.075 38.000 0.095 0.000 1.315 48 I HN 0.673 nan 8.210 nan 0.000 0.451 49 S N 5.426 121.248 115.700 0.203 0.000 2.652 49 S HA 0.417 4.897 4.470 0.018 0.000 0.270 49 S C 1.029 175.777 174.600 0.247 0.000 1.243 49 S CA -0.659 57.678 58.200 0.229 0.000 0.999 49 S CB 1.690 64.969 63.200 0.132 0.000 0.973 49 S HN 0.645 nan 8.310 nan 0.000 0.544 50 R N 0.629 121.248 120.500 0.199 0.000 2.083 50 R HA -0.125 4.226 4.340 0.018 0.000 0.237 50 R C 2.360 178.750 176.300 0.150 0.000 1.137 50 R CA 1.907 58.116 56.100 0.182 0.000 0.951 50 R CB -0.469 29.862 30.300 0.051 0.000 0.851 50 R HN 0.923 nan 8.270 nan 0.000 0.434 51 E N -0.045 120.218 120.200 0.105 0.000 2.106 51 E HA -0.141 4.220 4.350 0.018 0.000 0.192 51 E C 1.448 178.114 176.600 0.110 0.000 0.984 51 E CA 1.566 58.021 56.400 0.092 0.000 0.806 51 E CB 0.142 29.879 29.700 0.062 0.000 0.750 51 E HN 0.195 nan 8.360 nan 0.000 0.458 52 T N 1.056 115.682 114.554 0.120 0.000 2.708 52 T HA -0.152 4.208 4.350 0.018 0.000 0.266 52 T C 1.800 176.587 174.700 0.144 0.000 1.037 52 T CA 1.285 63.457 62.100 0.120 0.000 1.146 52 T CB -0.200 68.736 68.868 0.113 0.000 0.865 52 T HN 0.138 nan 8.240 nan 0.000 0.435 53 L N 0.589 121.927 121.223 0.191 0.000 2.017 53 L HA -0.152 4.198 4.340 0.018 0.000 0.208 53 L C 2.949 180.019 176.870 0.333 0.000 1.073 53 L CA 1.470 56.473 54.840 0.272 0.000 0.745 53 L CB -0.550 41.714 42.059 0.342 0.000 0.894 53 L HN 0.288 nan 8.230 nan 0.000 0.432 54 Q N -0.111 119.837 119.800 0.247 0.000 2.030 54 Q HA -0.248 4.103 4.340 0.018 0.000 0.204 54 Q C 2.002 178.099 176.000 0.161 0.000 0.986 54 Q CA 2.198 58.123 55.803 0.203 0.000 0.843 54 Q CB -0.340 28.473 28.738 0.125 0.000 0.904 54 Q HN 0.599 nan 8.270 nan 0.000 0.420 55 N N 0.133 118.899 118.700 0.110 0.000 2.120 55 N HA -0.159 4.592 4.740 0.018 0.000 0.188 55 N C 1.809 177.340 175.510 0.034 0.000 1.024 55 N CA 0.756 53.837 53.050 0.052 0.000 0.852 55 N CB -0.154 38.364 38.487 0.051 0.000 1.003 55 N HN 0.210 nan 8.380 nan 0.000 0.424 56 A N 0.891 123.759 122.820 0.080 0.000 1.877 56 A HA -0.126 4.205 4.320 0.018 0.000 0.216 56 A C 1.821 179.367 177.584 -0.064 0.000 1.186 56 A CA 1.218 53.286 52.037 0.052 0.000 0.620 56 A CB -0.847 18.159 19.000 0.009 0.000 0.822 56 A HN 0.195 nan 8.150 nan 0.000 0.443 57 F N -0.809 119.165 119.950 0.040 0.000 2.146 57 F HA -0.100 4.431 4.527 0.006 0.000 0.298 57 F C 2.079 177.834 175.800 -0.074 0.000 1.096 57 F CA 1.505 59.502 58.000 -0.004 0.000 1.275 57 F CB -0.468 38.534 39.000 0.004 0.000 1.008 57 F HN 0.266 nan 8.300 nan 0.000 0.480 58 L N 0.341 121.623 121.223 0.098 0.000 2.005 58 L HA -0.157 4.194 4.340 0.018 0.000 0.207 58 L C 1.640 178.422 176.870 -0.147 0.000 1.072 58 L CA 2.081 56.911 54.840 -0.017 0.000 0.744 58 L CB -0.941 41.108 42.059 -0.016 0.000 0.895 58 L HN 0.070 nan 8.230 nan 0.000 0.433 59 N N -2.239 116.300 118.700 -0.268 0.000 2.416 59 N HA -0.057 4.693 4.740 0.018 0.000 0.177 59 N C 1.014 176.084 175.510 -0.734 0.000 1.036 59 N CA 0.731 53.477 53.050 -0.508 0.000 0.901 59 N CB 0.056 38.164 38.487 -0.631 0.000 0.976 59 N HN 0.436 nan 8.380 nan 0.000 0.444 60 H N -1.064 117.798 119.070 -0.347 0.000 2.874 60 H HA 0.301 4.867 4.556 0.016 0.000 0.264 60 H C 0.869 175.926 175.328 -0.451 0.000 1.007 60 H CA 0.405 56.150 56.048 -0.505 0.000 1.207 60 H CB 0.726 29.893 29.762 -0.991 0.000 1.487 60 H HN 0.195 nan 8.280 nan 0.000 0.505 61 M N -0.786 118.686 119.600 -0.213 0.000 2.289 61 M HA 0.252 4.743 4.480 0.018 0.000 0.335 61 M C 0.817 177.063 176.300 -0.091 0.000 0.961 61 M CA 0.242 55.451 55.300 -0.152 0.000 1.018 61 M CB 1.898 34.480 32.600 -0.030 0.000 1.678 61 M HN 0.222 nan 8.290 nan 0.000 0.589 62 G N 2.395 111.118 108.800 -0.129 0.000 2.273 62 G HA2 -0.206 3.765 3.960 0.018 0.000 0.280 62 G HA3 -0.206 3.765 3.960 0.018 0.000 0.280 62 G C -0.300 174.558 174.900 -0.069 0.000 1.047 62 G CA -0.063 44.958 45.100 -0.132 0.000 0.869 62 G HN 0.406 nan 8.290 nan 0.000 0.502 63 I N 0.715 121.285 120.570 -0.001 0.000 2.382 63 I HA 0.601 4.782 4.170 0.018 0.000 0.285 63 I C 0.879 177.003 176.117 0.011 0.000 1.007 63 I CA -0.952 60.353 61.300 0.009 0.000 1.142 63 I CB 0.865 38.891 38.000 0.043 0.000 1.289 63 I HN 0.335 nan 8.210 nan 0.000 0.453 64 A N 5.610 128.423 122.820 -0.011 0.000 2.346 64 A HA 0.243 4.574 4.320 0.018 0.000 0.252 64 A C 1.194 178.782 177.584 0.007 0.000 1.089 64 A CA -0.146 51.892 52.037 0.001 0.000 0.797 64 A CB 0.208 19.209 19.000 0.002 0.000 1.047 64 A HN 0.726 nan 8.150 nan 0.000 0.494 65 N N 0.729 119.441 118.700 0.021 0.000 2.149 65 N HA -0.182 4.568 4.740 0.018 0.000 0.188 65 N C 2.091 177.618 175.510 0.029 0.000 1.019 65 N CA 1.917 54.985 53.050 0.030 0.000 0.857 65 N CB -0.587 37.922 38.487 0.036 0.000 0.997 65 N HN 0.793 nan 8.380 nan 0.000 0.426 66 S N 0.068 115.789 115.700 0.035 0.000 2.400 66 S HA -0.104 4.377 4.470 0.018 0.000 0.232 66 S C 2.070 176.713 174.600 0.071 0.000 1.025 66 S CA 1.171 59.402 58.200 0.052 0.000 0.993 66 S CB -0.794 62.439 63.200 0.056 0.000 0.808 66 S HN 0.079 nan 8.310 nan 0.000 0.478 67 V N 2.661 122.608 119.914 0.055 0.000 2.490 67 V HA -0.053 4.077 4.120 0.018 0.000 0.250 67 V C 2.189 178.329 176.094 0.077 0.000 1.061 67 V CA 1.833 64.186 62.300 0.089 0.000 1.064 67 V CB -0.961 30.861 31.823 -0.001 0.000 0.670 67 V HN 0.849 nan 8.190 nan 0.000 0.461 68 I N -2.781 117.776 120.570 -0.021 0.000 3.941 68 I HA 0.275 4.455 4.170 0.018 0.000 0.335 68 I C 1.798 177.966 176.117 0.086 0.000 1.402 68 I CA 0.369 61.657 61.300 -0.020 0.000 1.112 68 I CB -0.141 37.725 38.000 -0.224 0.000 1.043 68 I HN 0.179 nan 8.210 nan 0.000 0.395 69 E N 1.510 121.763 120.200 0.089 0.000 2.038 69 E HA -0.251 4.109 4.350 0.018 0.000 0.195 69 E C 2.059 178.721 176.600 0.104 0.000 1.000 69 E CA 1.709 58.163 56.400 0.089 0.000 0.803 69 E CB 0.013 29.753 29.700 0.067 0.000 0.750 69 E HN 0.545 nan 8.360 nan 0.000 0.448 70 L N 0.806 122.089 121.223 0.101 0.000 2.093 70 L HA -0.054 4.296 4.340 0.018 0.000 0.208 70 L C 2.239 179.168 176.870 0.097 0.000 1.085 70 L CA 2.095 56.979 54.840 0.072 0.000 0.755 70 L CB -0.775 41.305 42.059 0.036 0.000 0.904 70 L HN 0.201 nan 8.230 nan 0.000 0.435 71 A N -0.563 122.373 122.820 0.194 0.000 1.908 71 A HA -0.189 4.141 4.320 0.018 0.000 0.218 71 A C 2.278 180.100 177.584 0.396 0.000 1.181 71 A CA 2.016 54.270 52.037 0.362 0.000 0.627 71 A CB -0.851 18.435 19.000 0.477 0.000 0.818 71 A HN 0.490 nan 8.150 nan 0.000 0.445 72 L N -0.900 120.504 121.223 0.302 0.000 1.994 72 L HA -0.185 4.165 4.340 0.018 0.000 0.208 72 L C 2.866 179.976 176.870 0.399 0.000 1.071 72 L CA 1.884 56.941 54.840 0.362 0.000 0.745 72 L CB -1.075 41.151 42.059 0.278 0.000 0.892 72 L HN 0.359 nan 8.230 nan 0.000 0.431 73 T N -0.265 114.438 114.554 0.248 0.000 2.635 73 T HA -0.203 4.158 4.350 0.018 0.000 0.267 73 T C 1.711 176.553 174.700 0.237 0.000 1.040 73 T CA 1.794 64.016 62.100 0.204 0.000 1.156 73 T CB -0.314 68.616 68.868 0.104 0.000 0.863 73 T HN 0.290 nan 8.240 nan 0.000 0.430 74 N N 1.097 119.900 118.700 0.170 0.000 2.188 74 N HA 0.045 4.796 4.740 0.018 0.000 0.184 74 N C 2.110 177.835 175.510 0.358 0.000 1.018 74 N CA 1.151 54.282 53.050 0.135 0.000 0.858 74 N CB -0.590 37.730 38.487 -0.278 0.000 0.989 74 N HN 0.437 nan 8.380 nan 0.000 0.426 75 A N 0.419 123.512 122.820 0.456 0.000 1.883 75 A HA -0.110 4.220 4.320 0.018 0.000 0.217 75 A C 1.991 179.628 177.584 0.088 0.000 1.186 75 A CA 1.147 53.363 52.037 0.298 0.000 0.624 75 A CB -0.938 18.167 19.000 0.174 0.000 0.822 75 A HN 0.217 nan 8.150 nan 0.000 0.444 76 F N -0.500 119.571 119.950 0.201 0.000 2.259 76 F HA -0.086 4.458 4.527 0.029 0.000 0.298 76 F C 2.396 178.297 175.800 0.167 0.000 1.088 76 F CA 1.164 59.258 58.000 0.157 0.000 1.358 76 F CB -0.374 38.700 39.000 0.124 0.000 1.040 76 F HN 0.017 nan 8.300 nan 0.000 0.505 77 V N -0.550 119.563 119.914 0.332 0.000 2.287 77 V HA -0.285 3.846 4.120 0.018 0.000 0.248 77 V C 2.262 178.561 176.094 0.341 0.000 1.053 77 V CA 1.697 64.183 62.300 0.310 0.000 1.027 77 V CB -0.699 31.292 31.823 0.280 0.000 0.646 77 V HN 0.157 nan 8.190 nan 0.000 0.447 78 V N -1.221 118.887 119.914 0.325 0.000 2.427 78 V HA -0.289 3.842 4.120 0.018 0.000 0.248 78 V C 2.524 178.690 176.094 0.120 0.000 1.051 78 V CA 2.036 64.491 62.300 0.259 0.000 1.048 78 V CB -0.670 31.317 31.823 0.272 0.000 0.666 78 V HN 0.768 nan 8.190 nan 0.000 0.456 79 c N 0.238 118.882 118.600 0.073 0.000 2.413 79 c HA -0.209 4.371 4.570 0.018 0.000 0.276 79 c C 2.856 176.979 174.090 0.055 0.000 1.236 79 c CA 1.935 58.268 56.329 0.005 0.000 1.735 79 c CB -0.750 41.714 42.510 -0.076 0.000 2.031 79 c HN 0.745 nan 8.230 nan 0.000 0.474 80 E N -1.452 118.828 120.200 0.134 0.000 2.072 80 E HA -0.253 4.107 4.350 0.018 0.000 0.191 80 E C 2.061 178.745 176.600 0.139 0.000 0.985 80 E CA 1.502 57.986 56.400 0.140 0.000 0.801 80 E CB -0.543 29.264 29.700 0.177 0.000 0.750 80 E HN 0.791 nan 8.360 nan 0.000 0.452 81 Y N 0.928 121.230 120.300 0.005 0.000 2.128 81 Y HA -0.210 4.350 4.550 0.016 0.000 0.284 81 Y C 1.982 177.808 175.900 -0.124 0.000 1.154 81 Y CA 1.566 59.612 58.100 -0.091 0.000 1.149 81 Y CB -0.659 37.619 38.460 -0.303 0.000 0.976 81 Y HN -0.065 nan 8.280 nan 0.000 0.505 82 V N 0.198 119.908 119.914 -0.341 0.000 2.307 82 V HA -0.271 3.859 4.120 0.018 0.000 0.245 82 V C 2.549 178.513 176.094 -0.216 0.000 1.045 82 V CA 2.638 64.692 62.300 -0.410 0.000 1.024 82 V CB -1.294 30.359 31.823 -0.283 0.000 0.651 82 V HN 0.679 nan 8.190 nan 0.000 0.449 83 T N -2.839 111.651 114.554 -0.107 0.000 3.043 83 T HA 0.223 4.583 4.350 0.018 0.000 0.263 83 T C 1.624 176.305 174.700 -0.032 0.000 1.094 83 T CA 1.185 63.252 62.100 -0.056 0.000 1.127 83 T CB 0.483 69.340 68.868 -0.019 0.000 0.905 83 T HN 1.012 nan 8.240 nan 0.000 0.490 84 G N 1.001 109.793 108.800 -0.014 0.000 2.176 84 G HA2 -0.185 3.786 3.960 0.018 0.000 0.253 84 G HA3 -0.185 3.786 3.960 0.018 0.000 0.253 84 G C 0.205 175.128 174.900 0.038 0.000 0.979 84 G CA 0.385 45.494 45.100 0.015 0.000 0.641 84 G HN 1.570 nan 8.290 nan 0.000 0.530 85 S N -0.823 114.904 115.700 0.045 0.000 2.579 85 S HA 0.591 5.072 4.470 0.018 0.000 0.272 85 S C -0.878 173.770 174.600 0.080 0.000 1.141 85 S CA -0.187 58.047 58.200 0.058 0.000 0.843 85 S CB 2.546 65.773 63.200 0.045 0.000 1.122 85 S HN 0.353 nan 8.310 nan 0.000 0.468 86 D N 0.159 120.611 120.400 0.087 0.000 2.533 86 D HA 0.029 4.680 4.640 0.018 0.000 0.236 86 D C 0.436 176.813 176.300 0.128 0.000 1.137 86 D CA 0.041 54.108 54.000 0.112 0.000 0.867 86 D CB 0.659 41.512 40.800 0.090 0.000 1.170 86 D HN 0.622 nan 8.370 nan 0.000 0.474 87 c N 3.546 122.263 118.600 0.196 0.000 2.697 87 c HA 0.309 4.889 4.570 0.018 0.000 0.267 87 c C 1.642 175.900 174.090 0.278 0.000 1.278 87 c CA 0.113 56.585 56.329 0.238 0.000 1.708 87 c CB -1.241 41.433 42.510 0.273 0.000 1.860 87 c HN 0.899 nan 8.230 nan 0.000 0.589 88 G N 1.739 110.647 108.800 0.181 0.000 2.629 88 G HA2 -0.364 3.606 3.960 0.018 0.000 0.313 88 G HA3 -0.364 3.606 3.960 0.018 0.000 0.313 88 G C 0.236 175.120 174.900 -0.027 0.000 1.217 88 G CA 1.083 46.226 45.100 0.072 0.000 0.994 88 G HN 0.445 nan 8.290 nan 0.000 0.549 89 D N 0.212 120.617 120.400 0.009 0.000 2.788 89 D HA 0.489 5.140 4.640 0.018 0.000 0.289 89 D C -0.110 176.312 176.300 0.204 0.000 1.340 89 D CA 0.820 54.786 54.000 -0.057 0.000 0.831 89 D CB -0.061 40.685 40.800 -0.089 0.000 1.103 89 D HN 0.473 nan 8.370 nan 0.000 0.476 90 S N 0.910 116.828 115.700 0.364 0.000 2.524 90 S HA 0.285 4.765 4.470 0.018 0.000 0.227 90 S C -0.838 173.934 174.600 0.286 0.000 1.304 90 S CA -0.719 57.653 58.200 0.287 0.000 1.185 90 S CB -0.081 63.213 63.200 0.158 0.000 1.104 90 S HN 0.257 nan 8.310 nan 0.000 0.475 91 L N 6.539 127.893 121.223 0.218 0.000 2.615 91 L HA 0.175 4.525 4.340 0.018 0.000 0.271 91 L C 1.327 178.166 176.870 -0.052 0.000 1.183 91 L CA 0.722 55.455 54.840 -0.178 0.000 0.933 91 L CB 0.396 42.224 42.059 -0.385 0.000 1.199 91 L HN 0.529 nan 8.230 nan 0.000 0.487 92 V N 3.993 123.877 119.914 -0.050 0.000 2.252 92 V HA -0.205 3.926 4.120 0.018 0.000 0.249 92 V C 0.779 176.860 176.094 -0.021 0.000 1.056 92 V CA 2.151 64.443 62.300 -0.014 0.000 1.022 92 V CB -0.957 30.858 31.823 -0.014 0.000 0.641 92 V HN 1.102 nan 8.190 nan 0.000 0.445 93 N N -3.056 115.617 118.700 -0.045 0.000 3.179 93 N HA 0.264 5.014 4.740 0.018 0.000 0.250 93 N C -0.260 175.220 175.510 -0.050 0.000 1.507 93 N CA -0.726 52.303 53.050 -0.035 0.000 0.883 93 N CB 0.843 39.316 38.487 -0.023 0.000 1.435 93 N HN -0.087 nan 8.380 nan 0.000 0.532 94 L N -0.531 120.672 121.223 -0.034 0.000 2.209 94 L HA 0.063 4.413 4.340 0.018 0.000 0.207 94 L C 1.577 178.422 176.870 -0.042 0.000 1.094 94 L CA 1.119 55.937 54.840 -0.037 0.000 0.790 94 L CB -0.492 41.556 42.059 -0.019 0.000 0.932 94 L HN 0.693 nan 8.230 nan 0.000 0.447 95 T N 1.368 115.904 114.554 -0.031 0.000 2.788 95 T HA -0.160 4.201 4.350 0.018 0.000 0.268 95 T C 1.788 176.465 174.700 -0.039 0.000 1.044 95 T CA 1.652 63.736 62.100 -0.026 0.000 1.139 95 T CB -0.314 68.546 68.868 -0.012 0.000 0.867 95 T HN 0.311 nan 8.240 nan 0.000 0.454 96 L N 0.186 121.378 121.223 -0.051 0.000 2.353 96 L HA 0.123 4.474 4.340 0.018 0.000 0.220 96 L C 1.918 178.752 176.870 -0.061 0.000 1.133 96 L CA 1.402 56.202 54.840 -0.066 0.000 0.798 96 L CB -1.251 40.762 42.059 -0.077 0.000 0.922 96 L HN 0.159 nan 8.230 nan 0.000 0.445 97 L N 0.407 121.593 121.223 -0.063 0.000 2.362 97 L HA -0.019 4.332 4.340 0.018 0.000 0.219 97 L C 2.473 179.303 176.870 -0.066 0.000 1.134 97 L CA 0.717 55.515 54.840 -0.071 0.000 0.807 97 L CB -0.689 41.285 42.059 -0.142 0.000 0.927 97 L HN 0.477 nan 8.230 nan 0.000 0.447 98 A N -0.410 122.375 122.820 -0.059 0.000 2.302 98 A HA -0.008 4.322 4.320 0.018 0.000 0.219 98 A C 0.780 178.325 177.584 -0.065 0.000 1.243 98 A CA -0.195 51.811 52.037 -0.051 0.000 0.856 98 A CB -0.474 18.507 19.000 -0.030 0.000 0.893 98 A HN 0.256 nan 8.150 nan 0.000 0.491 99 E N 2.349 122.510 120.200 -0.064 0.000 2.498 99 E HA 0.116 4.476 4.350 0.018 0.000 0.252 99 E C -2.234 174.323 176.600 -0.071 0.000 1.025 99 E CA -1.836 54.507 56.400 -0.096 0.000 0.938 99 E CB 0.423 30.069 29.700 -0.091 0.000 0.947 99 E HN 0.313 nan 8.360 nan 0.000 0.478 100 P HA 0.049 nan 4.420 nan 0.000 0.274 100 P C -0.712 176.579 177.300 -0.015 0.000 1.246 100 P CA -0.082 62.864 63.100 -0.257 0.000 0.795 100 P CB 0.271 31.516 31.700 -0.758 0.000 1.006 101 H N -1.436 117.624 119.070 -0.016 0.000 2.626 101 H HA -0.171 4.395 4.556 0.017 0.000 0.317 101 H C 0.554 176.001 175.328 0.198 0.000 1.140 101 H CA 0.159 56.200 56.048 -0.011 0.000 1.134 101 H CB -1.402 28.263 29.762 -0.162 0.000 1.486 101 H HN 0.632 nan 8.280 nan 0.000 0.417 102 A N -0.030 123.008 122.820 0.363 0.000 2.497 102 A HA 0.367 4.698 4.320 0.018 0.000 0.186 102 A C 0.692 178.536 177.584 0.433 0.000 1.242 102 A CA 0.029 52.373 52.037 0.511 0.000 1.625 102 A CB -0.432 18.853 19.000 0.474 0.000 2.054 102 A HN 0.116 nan 8.150 nan 0.000 0.753 103 F N 1.268 121.373 119.950 0.259 0.000 2.118 103 F HA 0.212 4.747 4.527 0.013 0.000 0.293 103 F C 1.080 176.992 175.800 0.187 0.000 1.102 103 F CA 1.279 59.404 58.000 0.209 0.000 1.247 103 F CB -0.198 38.913 39.000 0.184 0.000 1.017 103 F HN 0.392 nan 8.300 nan 0.000 0.475 104 E N 1.166 121.559 120.200 0.321 0.000 2.442 104 E HA 0.025 4.386 4.350 0.018 0.000 0.262 104 E C -1.082 175.589 176.600 0.118 0.000 1.004 104 E CA 0.368 56.811 56.400 0.073 0.000 0.928 104 E CB 0.260 29.949 29.700 -0.019 0.000 0.937 104 E HN 0.593 nan 8.360 nan 0.000 0.446 105 H N 0.281 119.390 119.070 0.065 0.000 2.990 105 H HA 0.429 4.995 4.556 0.017 0.000 0.343 105 H C -0.807 174.473 175.328 -0.079 0.000 1.270 105 H CA -1.004 55.042 56.048 -0.005 0.000 1.118 105 H CB 0.430 30.149 29.762 -0.072 0.000 1.861 105 H HN 0.192 nan 8.280 nan 0.000 0.544 106 D N -0.043 120.379 120.400 0.038 0.000 2.398 106 D HA 0.092 4.743 4.640 0.018 0.000 0.247 106 D C 0.201 176.365 176.300 -0.226 0.000 1.227 106 D CA 0.938 54.943 54.000 0.008 0.000 0.980 106 D CB -0.067 40.740 40.800 0.013 0.000 1.106 106 D HN 1.055 nan 8.370 nan 0.000 0.493 107 H N -2.762 116.461 119.070 0.254 0.000 2.655 107 H HA -0.159 4.408 4.556 0.018 0.000 0.313 107 H C -0.605 174.775 175.328 0.087 0.000 1.141 107 H CA 0.560 56.736 56.048 0.214 0.000 1.138 107 H CB -2.399 27.533 29.762 0.283 0.000 1.446 107 H HN 0.027 nan 8.280 nan 0.000 0.415 108 S N -0.461 115.250 115.700 0.019 0.000 2.576 108 S HA 0.158 4.639 4.470 0.018 0.000 0.272 108 S C 1.151 175.779 174.600 0.047 0.000 1.352 108 S CA -0.091 58.092 58.200 -0.028 0.000 1.021 108 S CB 0.197 63.358 63.200 -0.065 0.000 0.887 108 S HN 0.364 nan 8.310 nan 0.000 0.542 109 F N 1.202 121.355 119.950 0.338 0.000 2.234 109 F HA -0.028 4.509 4.527 0.017 0.000 0.299 109 F C 2.311 178.326 175.800 0.358 0.000 1.087 109 F CA 1.067 59.315 58.000 0.414 0.000 1.340 109 F CB -0.201 39.177 39.000 0.630 0.000 1.031 109 F HN 0.640 nan 8.300 nan 0.000 0.500 110 S N -2.391 113.539 115.700 0.384 0.000 2.820 110 S HA 0.400 4.880 4.470 0.018 0.000 0.265 110 S C 0.188 174.701 174.600 -0.146 0.000 1.043 110 S CA -0.632 57.640 58.200 0.119 0.000 1.245 110 S CB 0.323 63.557 63.200 0.057 0.000 1.187 110 S HN -0.012 nan 8.310 nan 0.000 0.673 111 R N 1.843 122.308 120.500 -0.059 0.000 2.740 111 R HA 0.620 4.971 4.340 0.018 0.000 0.282 111 R C -0.703 175.568 176.300 -0.049 0.000 0.969 111 R CA -0.554 55.482 56.100 -0.106 0.000 0.918 111 R CB 1.029 31.273 30.300 -0.093 0.000 1.175 111 R HN 0.187 nan 8.270 nan 0.000 0.464 112 K N 0.901 121.264 120.400 -0.060 0.000 2.180 112 K HA 0.148 4.479 4.320 0.018 0.000 0.251 112 K C -0.430 176.186 176.600 0.026 0.000 1.014 112 K CA -0.361 55.918 56.287 -0.014 0.000 0.913 112 K CB 0.424 32.900 32.500 -0.040 0.000 1.008 112 K HN 0.435 nan 8.250 nan 0.000 0.490 113 D N 0.386 120.833 120.400 0.077 0.000 2.313 113 D HA -0.009 4.641 4.640 0.018 0.000 0.247 113 D C 0.758 177.084 176.300 0.045 0.000 1.094 113 D CA -0.102 53.984 54.000 0.143 0.000 0.925 113 D CB 0.453 41.433 40.800 0.301 0.000 1.188 113 D HN 0.421 nan 8.370 nan 0.000 0.430 114 Y N 1.381 121.600 120.300 -0.136 0.000 2.139 114 Y HA -0.235 4.326 4.550 0.018 0.000 0.282 114 Y C 1.228 176.791 175.900 -0.561 0.000 1.179 114 Y CA 1.778 59.649 58.100 -0.381 0.000 1.161 114 Y CB 0.261 38.363 38.460 -0.597 0.000 0.970 114 Y HN 0.235 nan 8.280 nan 0.000 0.511 115 K N 0.572 120.508 120.400 -0.773 0.000 2.726 115 K HA 0.085 4.416 4.320 0.018 0.000 0.209 115 K C -0.279 176.218 176.600 -0.171 0.000 1.082 115 K CA -0.193 55.738 56.287 -0.593 0.000 1.081 115 K CB 0.435 32.456 32.500 -0.799 0.000 0.830 115 K HN 0.243 nan 8.250 nan 0.000 0.470 116 Q N 0.572 120.318 119.800 -0.090 0.000 2.281 116 Q HA 0.068 4.419 4.340 0.018 0.000 0.267 116 Q C 0.658 176.659 176.000 0.003 0.000 1.053 116 Q CA 0.687 56.505 55.803 0.025 0.000 0.905 116 Q CB 0.383 29.145 28.738 0.040 0.000 1.195 116 Q HN 0.597 nan 8.270 nan 0.000 0.398 117 G N 2.709 111.538 108.800 0.048 0.000 2.179 117 G HA2 -0.281 3.690 3.960 0.018 0.000 0.257 117 G HA3 -0.281 3.690 3.960 0.018 0.000 0.257 117 G C 0.097 175.015 174.900 0.029 0.000 1.010 117 G CA 0.342 45.464 45.100 0.035 0.000 0.736 117 G HN 0.925 nan 8.290 nan 0.000 0.513 118 V N -2.642 117.299 119.914 0.044 0.000 2.686 118 V HA 0.784 4.915 4.120 0.018 0.000 0.295 118 V C 1.359 177.539 176.094 0.144 0.000 1.055 118 V CA 0.501 62.810 62.300 0.016 0.000 1.050 118 V CB 1.169 32.929 31.823 -0.106 0.000 0.984 118 V HN 1.246 nan 8.190 nan 0.000 0.482 119 A N 3.695 126.560 122.820 0.075 0.000 2.016 119 A HA 0.198 4.528 4.320 0.018 0.000 0.217 119 A C 0.946 178.637 177.584 0.178 0.000 1.162 119 A CA 0.712 52.823 52.037 0.124 0.000 0.662 119 A CB -0.711 18.319 19.000 0.049 0.000 0.812 119 A HN 0.928 nan 8.150 nan 0.000 0.450 120 N N -1.381 117.331 118.700 0.020 0.000 2.269 120 N HA 0.317 5.067 4.740 0.018 0.000 0.304 120 N C 0.941 176.163 175.510 -0.479 0.000 1.072 120 N CA 0.320 53.315 53.050 -0.092 0.000 0.802 120 N CB 1.874 40.314 38.487 -0.077 0.000 1.348 120 N HN 0.142 nan 8.380 nan 0.000 0.484 121 S N 1.490 116.759 115.700 -0.718 0.000 2.383 121 S HA -0.214 4.266 4.470 0.018 0.000 0.229 121 S C 0.976 175.261 174.600 -0.525 0.000 1.030 121 S CA 1.281 58.797 58.200 -1.139 0.000 1.002 121 S CB -0.390 62.495 63.200 -0.525 0.000 0.829 121 S HN 0.616 nan 8.310 nan 0.000 0.467 122 N N 1.371 119.912 118.700 -0.266 0.000 2.467 122 N HA 0.091 4.841 4.740 0.018 0.000 0.184 122 N C -0.624 174.839 175.510 -0.080 0.000 1.106 122 N CA 0.199 53.187 53.050 -0.104 0.000 0.892 122 N CB 0.071 38.536 38.487 -0.037 0.000 0.969 122 N HN 0.416 nan 8.380 nan 0.000 0.454 123 D N 0.089 120.371 120.400 -0.198 0.000 2.329 123 D HA 0.242 4.892 4.640 0.018 0.000 0.246 123 D C -0.325 175.818 176.300 -0.262 0.000 1.111 123 D CA 0.112 53.973 54.000 -0.232 0.000 0.941 123 D CB 0.715 41.363 40.800 -0.254 0.000 1.169 123 D HN 0.059 nan 8.370 nan 0.000 0.441 124 F N -0.971 118.683 119.950 -0.493 0.000 2.685 124 F HA 0.676 5.214 4.527 0.018 0.000 0.315 124 F C -1.005 174.467 175.800 -0.547 0.000 1.126 124 F CA -1.185 56.342 58.000 -0.789 0.000 0.950 124 F CB 0.831 38.936 39.000 -1.492 0.000 1.360 124 F HN 0.286 nan 8.300 nan 0.000 0.469 125 I N -1.866 118.477 120.570 -0.377 0.000 3.343 125 I HA 0.572 4.752 4.170 0.018 0.000 0.315 125 I C -1.212 174.855 176.117 -0.083 0.000 1.153 125 I CA -1.000 60.149 61.300 -0.251 0.000 0.952 125 I CB 1.846 39.724 38.000 -0.203 0.000 1.287 125 I HN 0.610 nan 8.210 nan 0.000 0.472 126 D N 2.778 123.140 120.400 -0.064 0.000 2.348 126 D HA 0.041 4.691 4.640 0.018 0.000 0.259 126 D C 0.150 176.447 176.300 -0.005 0.000 1.296 126 D CA 0.051 54.048 54.000 -0.006 0.000 0.931 126 D CB 0.128 40.911 40.800 -0.028 0.000 1.067 126 D HN 0.657 nan 8.370 nan 0.000 0.503 127 N N 3.362 122.092 118.700 0.050 0.000 2.276 127 N HA -0.011 4.739 4.740 0.018 0.000 0.212 127 N C 0.991 176.498 175.510 -0.006 0.000 1.127 127 N CA -0.136 52.935 53.050 0.035 0.000 0.834 127 N CB 0.333 38.886 38.487 0.110 0.000 1.014 127 N HN 0.431 nan 8.380 nan 0.000 0.491 128 R N -0.092 120.401 120.500 -0.011 0.000 2.197 128 R HA 0.219 4.570 4.340 0.018 0.000 0.188 128 R C -0.296 175.976 176.300 -0.046 0.000 1.015 128 R CA -0.183 55.901 56.100 -0.027 0.000 1.132 128 R CB 0.125 30.426 30.300 0.002 0.000 1.134 128 R HN 0.003 nan 8.270 nan 0.000 0.560 129 N N 1.296 119.975 118.700 -0.034 0.000 2.508 129 N HA -0.041 4.709 4.740 0.018 0.000 0.264 129 N C -0.741 174.672 175.510 -0.162 0.000 1.216 129 N CA 0.000 53.026 53.050 -0.041 0.000 0.943 129 N CB 0.366 38.868 38.487 0.026 0.000 1.113 129 N HN 0.046 nan 8.380 nan 0.000 0.447 130 F N 1.205 120.882 119.950 -0.454 0.000 2.623 130 F HA -0.107 4.431 4.527 0.018 0.000 0.386 130 F C 0.460 175.939 175.800 -0.534 0.000 1.068 130 F CA 0.165 57.787 58.000 -0.631 0.000 1.265 130 F CB 0.252 38.624 39.000 -1.047 0.000 1.026 130 F HN 0.402 nan 8.300 nan 0.000 0.568 131 D N 5.125 124.828 120.400 -1.162 0.000 2.471 131 D HA 0.482 5.133 4.640 0.018 0.000 0.245 131 D C 0.560 176.273 176.300 -0.978 0.000 1.116 131 D CA 0.073 53.599 54.000 -0.789 0.000 0.853 131 D CB 1.582 42.142 40.800 -0.401 0.000 1.123 131 D HN 0.657 nan 8.370 nan 0.000 0.540 132 A N 3.902 126.313 122.820 -0.682 0.000 1.892 132 A HA -0.224 4.107 4.320 0.018 0.000 0.218 132 A C 1.935 179.432 177.584 -0.144 0.000 1.188 132 A CA 1.313 53.187 52.037 -0.272 0.000 0.631 132 A CB -0.474 18.559 19.000 0.054 0.000 0.822 132 A HN 0.689 nan 8.150 nan 0.000 0.447 133 E N -0.312 119.806 120.200 -0.137 0.000 2.058 133 E HA -0.175 4.185 4.350 0.018 0.000 0.194 133 E C 2.064 178.619 176.600 -0.075 0.000 0.997 133 E CA 1.965 58.315 56.400 -0.084 0.000 0.801 133 E CB -0.431 29.227 29.700 -0.071 0.000 0.746 133 E HN 0.558 nan 8.360 nan 0.000 0.450 134 T N 1.013 115.504 114.554 -0.105 0.000 2.708 134 T HA -0.150 4.210 4.350 0.018 0.000 0.266 134 T C 1.521 176.246 174.700 0.041 0.000 1.037 134 T CA 1.306 63.383 62.100 -0.040 0.000 1.146 134 T CB -0.521 68.310 68.868 -0.061 0.000 0.865 134 T HN 0.169 nan 8.240 nan 0.000 0.435 135 F N 2.016 121.836 119.950 -0.217 0.000 2.216 135 F HA -0.048 4.491 4.527 0.019 0.000 0.300 135 F C 2.439 178.169 175.800 -0.116 0.000 1.085 135 F CA 0.935 58.848 58.000 -0.144 0.000 1.326 135 F CB -0.644 38.270 39.000 -0.143 0.000 1.027 135 F HN 0.031 nan 8.300 nan 0.000 0.497 136 Q N 0.058 119.785 119.800 -0.122 0.000 2.170 136 Q HA -0.149 4.202 4.340 0.018 0.000 0.203 136 Q C 2.360 178.269 176.000 -0.151 0.000 0.976 136 Q CA 2.283 57.972 55.803 -0.190 0.000 0.858 136 Q CB -0.668 28.012 28.738 -0.096 0.000 0.907 136 Q HN 0.534 nan 8.270 nan 0.000 0.433 137 T N -3.255 111.256 114.554 -0.072 0.000 2.833 137 T HA -0.077 4.284 4.350 0.018 0.000 0.269 137 T C 1.977 176.666 174.700 -0.018 0.000 1.054 137 T CA 1.500 63.582 62.100 -0.029 0.000 1.135 137 T CB -0.329 68.547 68.868 0.013 0.000 0.869 137 T HN 0.128 nan 8.240 nan 0.000 0.466 138 S N 1.418 117.105 115.700 -0.022 0.000 2.357 138 S HA 0.206 4.686 4.470 0.018 0.000 0.221 138 S C 1.963 176.477 174.600 -0.144 0.000 1.031 138 S CA 0.980 59.196 58.200 0.026 0.000 0.982 138 S CB -0.486 62.820 63.200 0.176 0.000 0.853 138 S HN 0.427 nan 8.310 nan 0.000 0.458 139 L N 1.426 122.413 121.223 -0.392 0.000 2.083 139 L HA -0.134 4.217 4.340 0.018 0.000 0.209 139 L C 1.778 178.540 176.870 -0.181 0.000 1.083 139 L CA 1.005 55.619 54.840 -0.377 0.000 0.752 139 L CB -0.574 41.148 42.059 -0.561 0.000 0.899 139 L HN 0.189 nan 8.230 nan 0.000 0.433 140 D N -0.623 119.691 120.400 -0.144 0.000 2.312 140 D HA -0.096 4.555 4.640 0.018 0.000 0.211 140 D C 2.264 178.530 176.300 -0.057 0.000 0.964 140 D CA 0.662 54.611 54.000 -0.084 0.000 0.877 140 D CB 0.054 40.813 40.800 -0.068 0.000 0.924 140 D HN 0.088 nan 8.370 nan 0.000 0.515 141 V N 0.657 120.536 119.914 -0.058 0.000 2.490 141 V HA -0.159 3.972 4.120 0.018 0.000 0.250 141 V C 1.868 177.931 176.094 -0.051 0.000 1.061 141 V CA 1.390 63.663 62.300 -0.045 0.000 1.064 141 V CB -0.320 31.479 31.823 -0.039 0.000 0.670 141 V HN 0.201 nan 8.190 nan 0.000 0.461 142 V N -2.122 117.752 119.914 -0.066 0.000 2.940 142 V HA 0.706 4.837 4.120 0.018 0.000 0.366 142 V C 0.587 176.681 176.094 0.000 0.000 1.353 142 V CA -0.520 61.763 62.300 -0.028 0.000 1.232 142 V CB -0.371 31.428 31.823 -0.040 0.000 1.278 142 V HN 0.217 nan 8.190 nan 0.000 0.546 143 A N 0.752 123.562 122.820 -0.017 0.000 2.498 143 A HA 0.519 4.850 4.320 0.018 0.000 0.239 143 A C 1.699 179.286 177.584 0.005 0.000 1.068 143 A CA 0.881 52.909 52.037 -0.015 0.000 0.766 143 A CB -0.422 18.565 19.000 -0.022 0.000 1.003 143 A HN 2.096 nan 8.150 nan 0.000 0.497 144 G N 1.067 109.872 108.800 0.007 0.000 2.162 144 G HA2 -0.247 3.723 3.960 0.018 0.000 0.260 144 G HA3 -0.247 3.723 3.960 0.018 0.000 0.260 144 G C 0.208 175.125 174.900 0.029 0.000 0.976 144 G CA 1.045 46.154 45.100 0.016 0.000 0.655 144 G HN 0.881 nan 8.290 nan 0.000 0.533 145 K N -0.462 119.964 120.400 0.043 0.000 2.156 145 K HA 0.618 4.949 4.320 0.018 0.000 0.250 145 K C 1.553 178.192 176.600 0.065 0.000 0.955 145 K CA -0.045 56.282 56.287 0.068 0.000 0.855 145 K CB 1.368 33.929 32.500 0.101 0.000 1.101 145 K HN 0.178 nan 8.250 nan 0.000 0.434 146 T N -2.337 112.265 114.554 0.080 0.000 3.040 146 T HA 0.104 4.465 4.350 0.018 0.000 0.252 146 T C 0.267 174.890 174.700 -0.130 0.000 1.064 146 T CA 0.498 62.608 62.100 0.016 0.000 1.110 146 T CB -0.066 68.854 68.868 0.086 0.000 0.921 146 T HN 0.509 nan 8.240 nan 0.000 0.480 147 H N 0.281 119.326 119.070 -0.043 0.000 2.928 147 H HA 0.652 5.218 4.556 0.018 0.000 0.371 147 H C -1.196 174.149 175.328 0.029 0.000 1.186 147 H CA -1.344 54.637 56.048 -0.112 0.000 1.134 147 H CB 1.647 31.316 29.762 -0.155 0.000 1.824 147 H HN 0.356 nan 8.280 nan 0.000 0.554 148 F N -0.823 119.145 119.950 0.029 0.000 2.645 148 F HA 0.581 5.119 4.527 0.018 0.000 0.310 148 F C -1.136 174.703 175.800 0.065 0.000 1.102 148 F CA -1.167 56.850 58.000 0.028 0.000 0.952 148 F CB 1.138 40.141 39.000 0.005 0.000 1.326 148 F HN 0.517 nan 8.300 nan 0.000 0.456 149 D N 0.320 120.947 120.400 0.378 0.000 2.588 149 D HA 0.256 4.907 4.640 0.018 0.000 0.268 149 D C 0.680 177.264 176.300 0.473 0.000 1.176 149 D CA -0.401 53.759 54.000 0.267 0.000 1.080 149 D CB 0.048 40.898 40.800 0.083 0.000 1.186 149 D HN 0.474 nan 8.370 nan 0.000 0.619 150 Y N -0.258 120.173 120.300 0.217 0.000 2.165 150 Y HA -0.054 4.506 4.550 0.017 0.000 0.286 150 Y C 2.662 178.644 175.900 0.137 0.000 1.155 150 Y CA 1.582 59.723 58.100 0.069 0.000 1.164 150 Y CB -1.264 37.113 38.460 -0.139 0.000 0.978 150 Y HN 0.543 nan 8.280 nan 0.000 0.513 151 A N 0.060 123.045 122.820 0.275 0.000 1.902 151 A HA -0.182 4.149 4.320 0.018 0.000 0.217 151 A C 2.026 179.707 177.584 0.162 0.000 1.181 151 A CA 1.927 54.069 52.037 0.174 0.000 0.623 151 A CB -0.702 18.373 19.000 0.124 0.000 0.818 151 A HN 0.384 nan 8.150 nan 0.000 0.443 152 D N -0.820 119.697 120.400 0.194 0.000 2.117 152 D HA -0.168 4.482 4.640 0.018 0.000 0.197 152 D C 1.820 178.141 176.300 0.036 0.000 0.987 152 D CA 1.815 55.880 54.000 0.109 0.000 0.829 152 D CB -0.368 40.520 40.800 0.147 0.000 0.961 152 D HN 0.427 nan 8.370 nan 0.000 0.460 153 M N 1.202 120.928 119.600 0.211 0.000 2.159 153 M HA -0.135 4.356 4.480 0.018 0.000 0.263 153 M C 1.508 177.939 176.300 0.217 0.000 1.063 153 M CA 1.249 56.673 55.300 0.206 0.000 1.110 153 M CB -0.457 32.495 32.600 0.586 0.000 1.374 153 M HN -0.174 nan 8.290 nan 0.000 0.411 154 N N 0.222 119.042 118.700 0.198 0.000 2.120 154 N HA -0.169 4.582 4.740 0.018 0.000 0.188 154 N C 1.515 177.092 175.510 0.112 0.000 1.024 154 N CA 1.609 54.745 53.050 0.144 0.000 0.852 154 N CB -0.153 38.397 38.487 0.104 0.000 1.003 154 N HN 0.432 nan 8.380 nan 0.000 0.424 155 E N 0.233 120.484 120.200 0.086 0.000 2.077 155 E HA -0.116 4.245 4.350 0.018 0.000 0.193 155 E C 2.178 178.820 176.600 0.070 0.000 0.989 155 E CA 0.670 57.105 56.400 0.057 0.000 0.800 155 E CB -0.197 29.524 29.700 0.033 0.000 0.746 155 E HN 0.520 nan 8.360 nan 0.000 0.452 156 I N 1.311 121.930 120.570 0.082 0.000 2.127 156 I HA -0.322 3.858 4.170 0.018 0.000 0.241 156 I C 2.642 178.919 176.117 0.267 0.000 1.075 156 I CA 1.756 63.152 61.300 0.160 0.000 1.334 156 I CB -0.376 37.716 38.000 0.154 0.000 1.040 156 I HN 0.079 nan 8.210 nan 0.000 0.405 157 R N 1.710 122.402 120.500 0.320 0.000 2.120 157 R HA -0.105 4.246 4.340 0.018 0.000 0.234 157 R C 1.944 178.299 176.300 0.092 0.000 1.123 157 R CA 1.450 57.688 56.100 0.230 0.000 0.975 157 R CB -1.136 29.307 30.300 0.239 0.000 0.866 157 R HN 0.310 nan 8.270 nan 0.000 0.446 158 L N 0.213 121.482 121.223 0.076 0.000 2.056 158 L HA -0.108 4.243 4.340 0.018 0.000 0.207 158 L C 2.817 179.698 176.870 0.019 0.000 1.078 158 L CA 1.578 56.431 54.840 0.022 0.000 0.749 158 L CB -0.512 41.559 42.059 0.020 0.000 0.901 158 L HN 0.295 nan 8.230 nan 0.000 0.433 159 Q N -0.004 119.824 119.800 0.048 0.000 2.061 159 Q HA -0.198 4.153 4.340 0.018 0.000 0.204 159 Q C 2.356 178.389 176.000 0.055 0.000 0.984 159 Q CA 1.572 57.401 55.803 0.042 0.000 0.846 159 Q CB 0.035 28.805 28.738 0.053 0.000 0.902 159 Q HN 0.170 nan 8.270 nan 0.000 0.421 160 R N 0.420 120.979 120.500 0.098 0.000 2.081 160 R HA -0.103 4.248 4.340 0.018 0.000 0.235 160 R C 2.135 178.516 176.300 0.136 0.000 1.131 160 R CA 1.636 57.815 56.100 0.131 0.000 0.960 160 R CB -0.529 29.864 30.300 0.155 0.000 0.856 160 R HN 0.541 nan 8.270 nan 0.000 0.436 161 E N 0.675 120.905 120.200 0.050 0.000 2.077 161 E HA -0.149 4.211 4.350 0.018 0.000 0.193 161 E C 2.033 178.566 176.600 -0.111 0.000 0.989 161 E CA 1.748 58.141 56.400 -0.012 0.000 0.800 161 E CB -0.042 29.560 29.700 -0.163 0.000 0.746 161 E HN 0.392 nan 8.360 nan 0.000 0.452 162 S N 1.106 116.751 115.700 -0.092 0.000 2.355 162 S HA -0.133 4.347 4.470 0.018 0.000 0.222 162 S C 2.145 176.679 174.600 -0.111 0.000 1.031 162 S CA 0.687 58.811 58.200 -0.127 0.000 0.993 162 S CB -0.596 62.561 63.200 -0.072 0.000 0.859 162 S HN 0.142 nan 8.310 nan 0.000 0.453 163 L N 1.418 122.619 121.223 -0.036 0.000 2.017 163 L HA -0.090 4.260 4.340 0.018 0.000 0.208 163 L C 2.995 179.870 176.870 0.008 0.000 1.073 163 L CA 1.550 56.386 54.840 -0.007 0.000 0.745 163 L CB -0.696 41.381 42.059 0.030 0.000 0.894 163 L HN 0.353 nan 8.230 nan 0.000 0.432 164 S N -0.352 115.386 115.700 0.062 0.000 2.368 164 S HA -0.175 4.306 4.470 0.018 0.000 0.224 164 S C 1.746 176.353 174.600 0.011 0.000 1.029 164 S CA 1.420 59.728 58.200 0.181 0.000 0.988 164 S CB -0.391 63.095 63.200 0.478 0.000 0.838 164 S HN 0.408 nan 8.310 nan 0.000 0.462 165 N N 1.331 119.729 118.700 -0.505 0.000 2.223 165 N HA -0.100 4.650 4.740 0.018 0.000 0.185 165 N C 1.540 176.891 175.510 -0.265 0.000 1.016 165 N CA 1.240 53.812 53.050 -0.796 0.000 0.863 165 N CB -0.116 37.714 38.487 -1.095 0.000 0.983 165 N HN 0.515 nan 8.380 nan 0.000 0.429 166 E N -0.617 119.485 120.200 -0.165 0.000 2.112 166 E HA -0.011 4.350 4.350 0.018 0.000 0.190 166 E C 1.678 178.262 176.600 -0.027 0.000 0.979 166 E CA 0.630 56.980 56.400 -0.083 0.000 0.814 166 E CB 0.074 29.733 29.700 -0.069 0.000 0.762 166 E HN 0.363 nan 8.360 nan 0.000 0.460 167 L N 0.876 122.105 121.223 0.010 0.000 2.416 167 L HA 0.046 4.397 4.340 0.018 0.000 0.216 167 L C 0.299 177.227 176.870 0.096 0.000 1.098 167 L CA -0.057 54.809 54.840 0.043 0.000 0.840 167 L CB 0.125 42.212 42.059 0.045 0.000 0.981 167 L HN -0.048 nan 8.230 nan 0.000 0.462 168 D N 0.287 120.788 120.400 0.169 0.000 2.372 168 D HA 0.032 4.683 4.640 0.018 0.000 0.243 168 D C -0.230 176.227 176.300 0.263 0.000 1.121 168 D CA -0.186 53.984 54.000 0.282 0.000 0.898 168 D CB 0.621 41.731 40.800 0.517 0.000 1.202 168 D HN -0.191 nan 8.370 nan 0.000 0.428 169 F N 2.448 122.490 119.950 0.153 0.000 2.623 169 F HA 0.076 4.614 4.527 0.018 0.000 0.383 169 F C -1.739 174.192 175.800 0.219 0.000 1.077 169 F CA -1.192 56.892 58.000 0.141 0.000 1.268 169 F CB 0.274 39.329 39.000 0.092 0.000 1.053 169 F HN 0.162 nan 8.300 nan 0.000 0.571 170 P HA 0.134 nan 4.420 nan 0.000 0.262 170 P C 0.443 177.848 177.300 0.176 0.000 1.182 170 P CA 1.589 64.612 63.100 -0.127 0.000 0.761 170 P CB 0.410 31.924 31.700 -0.309 0.000 0.795 171 G N 2.460 111.399 108.800 0.232 0.000 2.241 171 G HA2 -0.270 3.701 3.960 0.018 0.000 0.244 171 G HA3 -0.270 3.701 3.960 0.018 0.000 0.244 171 G C 1.022 176.139 174.900 0.362 0.000 0.998 171 G CA 0.141 45.406 45.100 0.274 0.000 0.621 171 G HN 0.573 nan 8.290 nan 0.000 0.519 172 W N 1.042 122.534 121.300 0.320 0.000 2.407 172 W HA 0.306 4.976 4.660 0.017 0.000 0.305 172 W C 1.073 177.809 176.519 0.361 0.000 1.196 172 W CA 0.870 58.422 57.345 0.346 0.000 1.311 172 W CB -0.274 29.378 29.460 0.320 0.000 1.135 172 W HN 0.246 nan 8.180 nan 0.000 0.514 173 F N 3.452 123.525 119.950 0.204 0.000 2.602 173 F HA 0.089 4.627 4.527 0.019 0.000 0.385 173 F C -0.468 175.299 175.800 -0.054 0.000 1.063 173 F CA 1.351 59.420 58.000 0.115 0.000 1.233 173 F CB 0.703 39.806 39.000 0.171 0.000 1.067 173 F HN -0.369 nan 8.300 nan 0.000 0.564 174 T N 6.448 120.447 114.554 -0.924 0.000 2.949 174 T HA 0.121 4.482 4.350 0.018 0.000 0.300 174 T C -0.698 173.510 174.700 -0.820 0.000 0.988 174 T CA -0.702 60.933 62.100 -0.774 0.000 0.993 174 T CB 1.028 69.363 68.868 -0.889 0.000 0.984 174 T HN 0.668 nan 8.240 nan 0.000 0.442 175 E N 1.770 121.632 120.200 -0.562 0.000 2.413 175 E HA 0.215 4.576 4.350 0.018 0.000 0.263 175 E C -0.463 176.101 176.600 -0.061 0.000 1.015 175 E CA 0.070 56.352 56.400 -0.197 0.000 0.916 175 E CB 0.447 30.145 29.700 -0.002 0.000 0.947 175 E HN 0.485 nan 8.360 nan 0.000 0.440 176 S N 3.789 119.598 115.700 0.182 0.000 2.300 176 S HA 0.141 4.621 4.470 0.018 0.000 0.172 176 S C 0.384 174.947 174.600 -0.063 0.000 1.484 176 S CA -0.558 57.593 58.200 -0.082 0.000 1.265 176 S CB 0.552 63.564 63.200 -0.314 0.000 1.313 176 S HN 0.450 nan 8.310 nan 0.000 0.387 177 K N 1.805 122.202 120.400 -0.005 0.000 2.057 177 K HA -0.063 4.267 4.320 0.018 0.000 0.207 177 K C -1.105 175.460 176.600 -0.058 0.000 1.049 177 K CA 1.404 57.685 56.287 -0.011 0.000 0.931 177 K CB -0.778 31.712 32.500 -0.018 0.000 0.714 177 K HN 0.308 nan 8.250 nan 0.000 0.440 178 P HA -0.143 nan 4.420 nan 0.000 0.215 178 P C 1.207 178.443 177.300 -0.107 0.000 1.157 178 P CA 1.226 64.273 63.100 -0.088 0.000 0.863 178 P CB 0.057 31.702 31.700 -0.093 0.000 0.787 179 I N -0.894 119.587 120.570 -0.149 0.000 2.202 179 I HA -0.254 3.926 4.170 0.018 0.000 0.242 179 I C 2.743 178.795 176.117 -0.109 0.000 1.091 179 I CA 1.401 62.626 61.300 -0.125 0.000 1.368 179 I CB -0.693 37.260 38.000 -0.079 0.000 1.058 179 I HN -0.033 nan 8.210 nan 0.000 0.410 180 Q N 1.225 120.863 119.800 -0.271 0.000 2.096 180 Q HA -0.228 4.122 4.340 0.018 0.000 0.204 180 Q C 1.791 177.856 176.000 0.108 0.000 0.982 180 Q CA 1.827 57.584 55.803 -0.077 0.000 0.850 180 Q CB 0.018 28.702 28.738 -0.090 0.000 0.901 180 Q HN 0.481 nan 8.270 nan 0.000 0.422 181 N N -0.590 118.136 118.700 0.044 0.000 2.463 181 N HA -0.050 4.701 4.740 0.018 0.000 0.181 181 N C 1.584 177.101 175.510 0.012 0.000 1.078 181 N CA 0.625 53.725 53.050 0.084 0.000 0.902 181 N CB 0.376 38.898 38.487 0.058 0.000 0.970 181 N HN 0.117 nan 8.380 nan 0.000 0.451 182 V N 1.838 121.699 119.914 -0.089 0.000 2.343 182 V HA -0.210 3.921 4.120 0.018 0.000 0.247 182 V C 1.982 177.781 176.094 -0.492 0.000 1.051 182 V CA 1.642 63.770 62.300 -0.287 0.000 1.036 182 V CB -0.386 31.232 31.823 -0.341 0.000 0.654 182 V HN 0.257 nan 8.190 nan 0.000 0.451 183 E N 0.087 120.165 120.200 -0.202 0.000 2.110 183 E HA -0.171 4.189 4.350 0.018 0.000 0.193 183 E C 2.377 179.218 176.600 0.402 0.000 0.988 183 E CA 1.497 57.983 56.400 0.143 0.000 0.804 183 E CB -0.247 29.731 29.700 0.463 0.000 0.745 183 E HN 0.526 nan 8.360 nan 0.000 0.458 184 S N 0.416 116.365 115.700 0.415 0.000 2.359 184 S HA -0.205 4.275 4.470 0.018 0.000 0.223 184 S C 2.134 177.031 174.600 0.494 0.000 1.039 184 S CA 1.253 59.724 58.200 0.452 0.000 1.042 184 S CB -0.816 62.648 63.200 0.439 0.000 0.915 184 S HN 0.533 nan 8.310 nan 0.000 0.439 185 G N 1.049 110.050 108.800 0.335 0.000 2.442 185 G HA2 -0.188 3.782 3.960 0.018 0.000 0.219 185 G HA3 -0.188 3.782 3.960 0.018 0.000 0.219 185 G C 1.098 176.372 174.900 0.623 0.000 1.141 185 G CA 0.756 46.088 45.100 0.388 0.000 0.763 185 G HN 0.412 nan 8.290 nan 0.000 0.554 186 F N 0.980 121.188 119.950 0.431 0.000 2.134 186 F HA 0.070 4.609 4.527 0.020 0.000 0.299 186 F C 2.682 178.759 175.800 0.463 0.000 1.097 186 F CA -0.090 58.167 58.000 0.429 0.000 1.264 186 F CB -0.805 38.468 39.000 0.455 0.000 1.001 186 F HN 0.106 nan 8.300 nan 0.000 0.479 187 I N -1.380 119.576 120.570 0.644 0.000 2.179 187 I HA -0.329 3.851 4.170 0.018 0.000 0.242 187 I C 2.360 178.579 176.117 0.170 0.000 1.088 187 I CA 1.351 62.879 61.300 0.380 0.000 1.357 187 I CB -0.667 37.286 38.000 -0.079 0.000 1.051 187 I HN -0.055 nan 8.210 nan 0.000 0.409 188 F N 1.000 121.108 119.950 0.263 0.000 2.161 188 F HA -0.231 4.306 4.527 0.016 0.000 0.300 188 F C 2.606 178.666 175.800 0.433 0.000 1.089 188 F CA 1.461 59.644 58.000 0.306 0.000 1.282 188 F CB -0.669 38.554 39.000 0.371 0.000 1.010 188 F HN 0.012 nan 8.300 nan 0.000 0.485 189 A N -0.530 122.688 122.820 0.662 0.000 1.902 189 A HA -0.141 4.190 4.320 0.018 0.000 0.217 189 A C 2.065 179.722 177.584 0.122 0.000 1.181 189 A CA 1.604 53.804 52.037 0.271 0.000 0.623 189 A CB -0.874 18.325 19.000 0.332 0.000 0.818 189 A HN 0.343 nan 8.150 nan 0.000 0.443 190 L N -0.451 120.883 121.223 0.184 0.000 2.168 190 L HA 0.060 4.411 4.340 0.018 0.000 0.203 190 L C 1.668 178.685 176.870 0.246 0.000 1.078 190 L CA 1.919 56.822 54.840 0.106 0.000 0.780 190 L CB 0.340 42.285 42.059 -0.189 0.000 0.939 190 L HN 0.368 nan 8.230 nan 0.000 0.451 191 V N -3.095 116.953 119.914 0.224 0.000 3.070 191 V HA 0.404 4.534 4.120 0.018 0.000 0.345 191 V C 0.515 176.753 176.094 0.239 0.000 1.403 191 V CA -0.019 62.490 62.300 0.349 0.000 1.155 191 V CB -0.809 31.227 31.823 0.355 0.000 1.140 191 V HN 0.324 nan 8.190 nan 0.000 0.505 192 S N -0.149 115.644 115.700 0.155 0.000 2.603 192 S HA 0.328 4.808 4.470 0.018 0.000 0.268 192 S C -0.019 174.625 174.600 0.073 0.000 1.317 192 S CA -0.128 58.108 58.200 0.059 0.000 1.012 192 S CB 1.318 64.639 63.200 0.202 0.000 0.926 192 S HN 0.450 nan 8.310 nan 0.000 0.539 193 D N 1.719 122.066 120.400 -0.089 0.000 2.435 193 D HA 0.153 4.804 4.640 0.018 0.000 0.230 193 D C 0.745 176.960 176.300 -0.141 0.000 1.215 193 D CA -0.900 52.944 54.000 -0.261 0.000 0.947 193 D CB -0.454 40.218 40.800 -0.212 0.000 1.048 193 D HN 0.539 nan 8.370 nan 0.000 0.512 194 F N 1.992 122.012 119.950 0.118 0.000 2.641 194 F HA 0.044 4.582 4.527 0.019 0.000 0.298 194 F C 1.171 176.999 175.800 0.047 0.000 1.146 194 F CA 0.097 58.120 58.000 0.038 0.000 1.464 194 F CB -1.161 37.799 39.000 -0.066 0.000 1.101 194 F HN 0.186 nan 8.300 nan 0.000 0.585 195 N N 0.358 119.118 118.700 0.100 0.000 2.467 195 N HA 0.122 4.872 4.740 0.018 0.000 0.184 195 N C -0.015 175.536 175.510 0.068 0.000 1.106 195 N CA 0.012 53.149 53.050 0.145 0.000 0.892 195 N CB 0.074 38.611 38.487 0.084 0.000 0.969 195 N HN 0.271 nan 8.380 nan 0.000 0.454 196 L N 1.429 122.671 121.223 0.031 0.000 2.312 196 L HA 0.280 4.631 4.340 0.018 0.000 0.281 196 L C -1.143 175.751 176.870 0.040 0.000 1.070 196 L CA -1.741 53.102 54.840 0.004 0.000 0.805 196 L CB 1.074 43.107 42.059 -0.043 0.000 1.174 196 L HN -0.094 nan 8.230 nan 0.000 0.434 197 P HA -0.147 nan 4.420 nan 0.000 0.222 197 P C 0.259 177.586 177.300 0.045 0.000 1.147 197 P CA 1.041 64.165 63.100 0.041 0.000 0.790 197 P CB 0.092 31.808 31.700 0.026 0.000 0.780 198 D N -1.575 118.848 120.400 0.037 0.000 2.463 198 D HA -0.037 4.613 4.640 0.018 0.000 0.224 198 D C 1.258 177.599 176.300 0.068 0.000 1.174 198 D CA -0.473 53.553 54.000 0.044 0.000 0.829 198 D CB -1.379 39.435 40.800 0.022 0.000 0.993 198 D HN 0.091 nan 8.370 nan 0.000 0.497 199 N N 1.342 120.096 118.700 0.090 0.000 2.094 199 N HA -0.202 4.548 4.740 0.018 0.000 0.191 199 N C 0.568 176.205 175.510 0.212 0.000 1.023 199 N CA 1.274 54.405 53.050 0.135 0.000 0.857 199 N CB 0.120 38.698 38.487 0.152 0.000 1.013 199 N HN 0.014 nan 8.380 nan 0.000 0.426 200 D N 0.410 120.926 120.400 0.194 0.000 2.178 200 D HA -0.101 4.550 4.640 0.018 0.000 0.201 200 D C 1.504 177.972 176.300 0.279 0.000 0.980 200 D CA 0.959 55.120 54.000 0.268 0.000 0.842 200 D CB -0.042 40.863 40.800 0.174 0.000 0.948 200 D HN 0.415 nan 8.370 nan 0.000 0.472 201 E N -0.303 119.993 120.200 0.161 0.000 2.340 201 E HA 0.030 4.391 4.350 0.018 0.000 0.198 201 E C 0.398 177.037 176.600 0.066 0.000 0.961 201 E CA 0.260 56.721 56.400 0.102 0.000 0.905 201 E CB 0.157 29.899 29.700 0.070 0.000 0.884 201 E HN 0.085 nan 8.360 nan 0.000 0.491 202 N N 1.091 119.820 118.700 0.048 0.000 2.703 202 N HA 0.125 4.876 4.740 0.018 0.000 0.283 202 N C -2.818 172.651 175.510 -0.069 0.000 1.851 202 N CA -1.604 51.423 53.050 -0.038 0.000 0.826 202 N CB 0.831 39.302 38.487 -0.026 0.000 1.239 202 N HN -0.173 nan 8.380 nan 0.000 0.495 203 P HA 0.148 nan 4.420 nan 0.000 0.271 203 P C -0.741 176.590 177.300 0.052 0.000 1.216 203 P CA -0.010 63.155 63.100 0.108 0.000 0.776 203 P CB 1.321 33.263 31.700 0.403 0.000 0.881 204 L N 2.693 123.942 121.223 0.044 0.000 2.356 204 L HA 0.369 4.719 4.340 0.018 0.000 0.277 204 L C 0.205 176.935 176.870 -0.234 0.000 0.996 204 L CA -1.396 53.417 54.840 -0.044 0.000 0.822 204 L CB 2.156 44.204 42.059 -0.019 0.000 1.256 204 L HN 0.085 nan 8.230 nan 0.000 0.413 205 V N 3.249 122.733 119.914 -0.717 0.000 2.572 205 V HA 0.122 4.253 4.120 0.018 0.000 0.291 205 V C 0.661 176.305 176.094 -0.750 0.000 1.039 205 V CA -0.141 61.580 62.300 -0.965 0.000 1.055 205 V CB 0.928 31.613 31.823 -1.897 0.000 0.969 205 V HN 0.657 nan 8.190 nan 0.000 0.482 206 R N 3.919 124.049 120.500 -0.617 0.000 2.210 206 R HA 0.348 4.699 4.340 0.018 0.000 0.338 206 R C 0.972 177.057 176.300 -0.359 0.000 1.062 206 R CA -0.290 55.321 56.100 -0.815 0.000 0.902 206 R CB 0.501 30.018 30.300 -1.306 0.000 1.050 206 R HN 0.694 nan 8.270 nan 0.000 0.461 207 I N 2.672 123.098 120.570 -0.239 0.000 2.226 207 I HA -0.341 3.839 4.170 0.018 0.000 0.245 207 I C 1.847 178.058 176.117 0.157 0.000 1.100 207 I CA 1.376 62.750 61.300 0.123 0.000 1.374 207 I CB -0.207 37.888 38.000 0.158 0.000 1.057 207 I HN 0.681 nan 8.210 nan 0.000 0.413 208 D N 0.316 120.731 120.400 0.024 0.000 2.144 208 D HA -0.253 4.398 4.640 0.018 0.000 0.199 208 D C 1.868 178.379 176.300 0.352 0.000 0.984 208 D CA 1.281 55.367 54.000 0.144 0.000 0.834 208 D CB -0.801 40.051 40.800 0.086 0.000 0.955 208 D HN 0.341 nan 8.370 nan 0.000 0.465 209 W N 0.370 121.731 121.300 0.102 0.000 2.358 209 W HA -0.002 4.670 4.660 0.020 0.000 0.303 209 W C 2.199 178.895 176.519 0.294 0.000 1.208 209 W CA -0.365 57.043 57.345 0.105 0.000 1.274 209 W CB -1.577 27.891 29.460 0.012 0.000 1.138 209 W HN 0.125 nan 8.180 nan 0.000 0.515 210 W N 1.570 123.075 121.300 0.341 0.000 2.335 210 W HA -0.202 4.468 4.660 0.017 0.000 0.311 210 W C 2.415 179.119 176.519 0.308 0.000 1.213 210 W CA 2.247 59.770 57.345 0.297 0.000 1.274 210 W CB -0.862 28.670 29.460 0.120 0.000 1.148 210 W HN -0.114 nan 8.180 nan 0.000 0.498 211 K N -1.282 119.317 120.400 0.332 0.000 2.057 211 K HA -0.279 4.051 4.320 0.018 0.000 0.207 211 K C 2.259 179.015 176.600 0.259 0.000 1.049 211 K CA 1.777 58.219 56.287 0.258 0.000 0.931 211 K CB -0.897 31.700 32.500 0.161 0.000 0.714 211 K HN 0.165 nan 8.250 nan 0.000 0.440 212 Y N 0.145 120.560 120.300 0.192 0.000 2.114 212 Y HA -0.283 4.277 4.550 0.017 0.000 0.284 212 Y C 2.093 178.068 175.900 0.125 0.000 1.143 212 Y CA 2.058 60.236 58.100 0.130 0.000 1.135 212 Y CB -0.642 37.903 38.460 0.140 0.000 0.980 212 Y HN 0.308 nan 8.280 nan 0.000 0.499 213 W N 0.264 121.735 121.300 0.285 0.000 2.317 213 W HA -0.304 4.367 4.660 0.018 0.000 0.318 213 W C 1.825 178.400 176.519 0.093 0.000 1.227 213 W CA 2.178 59.617 57.345 0.157 0.000 1.269 213 W CB -1.372 28.212 29.460 0.206 0.000 1.155 213 W HN 0.124 nan 8.180 nan 0.000 0.484 214 F N 0.649 120.354 119.950 -0.409 0.000 2.163 214 F HA -0.121 4.417 4.527 0.018 0.000 0.297 214 F C 2.658 177.821 175.800 -1.063 0.000 1.094 214 F CA 2.252 59.732 58.000 -0.866 0.000 1.290 214 F CB -1.209 37.030 39.000 -1.269 0.000 1.017 214 F HN -0.235 nan 8.300 nan 0.000 0.483 215 T N -0.374 113.771 114.554 -0.682 0.000 2.812 215 T HA -0.117 4.244 4.350 0.018 0.000 0.264 215 T C 1.656 176.048 174.700 -0.513 0.000 1.042 215 T CA 1.412 62.964 62.100 -0.914 0.000 1.140 215 T CB -0.178 68.493 68.868 -0.327 0.000 0.870 215 T HN 0.100 nan 8.240 nan 0.000 0.445 216 N N 0.616 119.100 118.700 -0.359 0.000 2.392 216 N HA 0.050 4.800 4.740 0.018 0.000 0.177 216 N C 0.087 175.520 175.510 -0.128 0.000 1.066 216 N CA 0.170 53.040 53.050 -0.300 0.000 0.895 216 N CB 0.099 38.256 38.487 -0.550 0.000 0.988 216 N HN 0.488 nan 8.380 nan 0.000 0.457 217 E N 0.063 120.210 120.200 -0.088 0.000 2.297 217 E HA -0.177 4.183 4.350 0.018 0.000 0.228 217 E C -0.698 175.919 176.600 0.029 0.000 1.213 217 E CA 0.344 56.747 56.400 0.005 0.000 0.712 217 E CB -1.289 28.437 29.700 0.043 0.000 1.202 217 E HN 0.130 nan 8.360 nan 0.000 0.376 218 S N -1.107 114.571 115.700 -0.037 0.000 2.688 218 S HA 0.709 5.190 4.470 0.018 0.000 0.275 218 S C -1.499 172.953 174.600 -0.247 0.000 1.175 218 S CA -0.868 57.248 58.200 -0.140 0.000 0.818 218 S CB 0.906 64.183 63.200 0.128 0.000 1.157 218 S HN 0.160 nan 8.310 nan 0.000 0.482 219 F N 2.649 122.672 119.950 0.121 0.000 2.408 219 F HA 0.439 4.976 4.527 0.017 0.000 0.344 219 F C -1.624 173.850 175.800 -0.544 0.000 1.112 219 F CA -2.133 55.633 58.000 -0.390 0.000 1.096 219 F CB 1.066 39.783 39.000 -0.471 0.000 1.129 219 F HN 0.272 nan 8.300 nan 0.000 0.486 220 P HA -0.015 nan 4.420 nan 0.000 0.246 220 P C 0.560 177.550 177.300 -0.517 0.000 1.686 220 P CA 0.293 62.752 63.100 -1.068 0.000 0.867 220 P CB -0.529 30.697 31.700 -0.790 0.000 1.733 221 Y N 0.508 120.688 120.300 -0.200 0.000 2.193 221 Y HA -0.241 4.318 4.550 0.016 0.000 0.285 221 Y C 2.520 178.452 175.900 0.052 0.000 1.166 221 Y CA 1.706 59.817 58.100 0.018 0.000 1.181 221 Y CB -1.113 37.388 38.460 0.068 0.000 0.976 221 Y HN 0.296 nan 8.280 nan 0.000 0.520 222 H N -0.928 118.216 119.070 0.124 0.000 2.489 222 H HA -0.014 4.553 4.556 0.019 0.000 0.293 222 H C 1.685 177.100 175.328 0.146 0.000 1.066 222 H CA 0.991 57.120 56.048 0.135 0.000 1.305 222 H CB -0.378 29.468 29.762 0.140 0.000 1.386 222 H HN 0.350 nan 8.280 nan 0.000 0.551 223 L N -0.754 120.603 121.223 0.223 0.000 2.653 223 L HA 0.233 4.583 4.340 0.018 0.000 0.231 223 L C 1.348 178.514 176.870 0.492 0.000 1.153 223 L CA 0.414 55.462 54.840 0.347 0.000 0.933 223 L CB 0.402 42.724 42.059 0.438 0.000 1.175 223 L HN 0.365 nan 8.230 nan 0.000 0.473 224 G N -0.750 108.256 108.800 0.344 0.000 2.175 224 G HA2 -0.321 3.649 3.960 0.018 0.000 0.244 224 G HA3 -0.321 3.649 3.960 0.018 0.000 0.244 224 G C 0.008 175.039 174.900 0.217 0.000 0.982 224 G CA -0.168 45.150 45.100 0.364 0.000 0.641 224 G HN 0.380 nan 8.290 nan 0.000 0.527 225 W N 2.807 123.810 121.300 -0.495 0.000 2.158 225 W HA 0.541 5.210 4.660 0.014 0.000 0.339 225 W C 0.746 176.929 176.519 -0.559 0.000 1.294 225 W CA 1.109 57.790 57.345 -1.106 0.000 1.231 225 W CB 0.363 28.825 29.460 -1.664 0.000 1.143 225 W HN 0.585 nan 8.180 nan 0.000 0.571 226 H N 2.002 120.178 119.070 -1.489 0.000 3.008 226 H HA 0.596 5.162 4.556 0.017 0.000 0.354 226 H C -2.820 170.960 175.328 -2.581 0.000 1.252 226 H CA -2.918 52.034 56.048 -1.826 0.000 1.117 226 H CB 0.669 29.732 29.762 -1.164 0.000 1.857 226 H HN 0.064 nan 8.280 nan 0.000 0.547 227 P HA 0.082 nan 4.420 nan 0.000 0.265 227 P C -2.486 174.375 177.300 -0.732 0.000 1.193 227 P CA -0.642 61.850 63.100 -1.013 0.000 0.765 227 P CB -0.168 31.227 31.700 -0.508 0.000 0.823 228 P HA -0.007 nan 4.420 nan 0.000 0.264 228 P C -0.282 176.834 177.300 -0.307 0.000 1.183 228 P CA 0.732 63.589 63.100 -0.405 0.000 0.763 228 P CB 0.385 31.938 31.700 -0.245 0.000 0.807 229 S N 2.858 118.394 115.700 -0.273 0.000 2.672 229 S HA 0.563 5.044 4.470 0.018 0.000 0.291 229 S C -2.355 172.176 174.600 -0.114 0.000 1.145 229 S CA -1.297 56.810 58.200 -0.155 0.000 1.013 229 S CB 0.206 63.366 63.200 -0.067 0.000 1.017 229 S HN 0.254 nan 8.310 nan 0.000 0.487 230 P HA 0.432 nan 4.420 nan 0.000 0.274 230 P C -0.383 176.854 177.300 -0.106 0.000 1.256 230 P CA -0.578 62.469 63.100 -0.087 0.000 0.795 230 P CB 0.276 31.940 31.700 -0.060 0.000 1.038 231 A N 2.003 124.766 122.820 -0.096 0.000 2.565 231 A HA 0.066 4.397 4.320 0.018 0.000 0.237 231 A C 0.772 178.305 177.584 -0.085 0.000 1.053 231 A CA -0.145 51.835 52.037 -0.095 0.000 0.755 231 A CB -0.218 18.740 19.000 -0.069 0.000 0.980 231 A HN 0.404 nan 8.150 nan 0.000 0.506 232 R N 1.857 122.292 120.500 -0.108 0.000 2.623 232 R HA 0.175 4.525 4.340 0.018 0.000 0.271 232 R C 0.002 176.295 176.300 -0.011 0.000 1.043 232 R CA 0.179 56.211 56.100 -0.115 0.000 1.083 232 R CB 0.276 30.471 30.300 -0.175 0.000 0.974 232 R HN 0.761 nan 8.270 nan 0.000 0.436 233 E N 1.228 121.459 120.200 0.052 0.000 2.264 233 E HA 0.105 4.466 4.350 0.018 0.000 0.260 233 E C 1.150 177.854 176.600 0.174 0.000 0.961 233 E CA -0.923 55.534 56.400 0.096 0.000 0.834 233 E CB 1.333 31.082 29.700 0.081 0.000 1.230 233 E HN 0.271 nan 8.360 nan 0.000 0.412 234 I N 1.590 122.250 120.570 0.150 0.000 2.264 234 I HA -0.273 3.908 4.170 0.018 0.000 0.248 234 I C 1.608 177.829 176.117 0.173 0.000 1.111 234 I CA 1.710 63.115 61.300 0.176 0.000 1.382 234 I CB -0.165 37.912 38.000 0.129 0.000 1.060 234 I HN 0.459 nan 8.210 nan 0.000 0.418 235 E N -0.172 120.116 120.200 0.147 0.000 2.058 235 E HA -0.281 4.080 4.350 0.018 0.000 0.194 235 E C 2.040 178.728 176.600 0.147 0.000 0.997 235 E CA 1.823 58.294 56.400 0.118 0.000 0.801 235 E CB -0.678 29.082 29.700 0.099 0.000 0.746 235 E HN 0.581 nan 8.360 nan 0.000 0.450 236 F N 0.516 120.512 119.950 0.077 0.000 2.095 236 F HA -0.227 4.311 4.527 0.018 0.000 0.298 236 F C 2.003 177.872 175.800 0.115 0.000 1.104 236 F CA 1.130 59.188 58.000 0.097 0.000 1.232 236 F CB -0.332 38.738 39.000 0.117 0.000 0.987 236 F HN -0.134 nan 8.300 nan 0.000 0.475 237 V N 0.354 120.517 119.914 0.414 0.000 2.295 237 V HA -0.325 3.806 4.120 0.018 0.000 0.246 237 V C 2.629 178.775 176.094 0.087 0.000 1.049 237 V CA 2.470 64.970 62.300 0.334 0.000 1.024 237 V CB -1.367 30.718 31.823 0.437 0.000 0.648 237 V HN 0.647 nan 8.190 nan 0.000 0.447 238 T N -3.230 111.355 114.554 0.051 0.000 2.985 238 T HA -0.141 4.219 4.350 0.018 0.000 0.266 238 T C 2.035 176.675 174.700 -0.099 0.000 1.076 238 T CA 1.509 63.595 62.100 -0.023 0.000 1.135 238 T CB -0.251 68.614 68.868 -0.005 0.000 0.890 238 T HN 0.367 nan 8.240 nan 0.000 0.480 239 S N 1.409 117.033 115.700 -0.127 0.000 2.356 239 S HA 0.034 4.514 4.470 0.018 0.000 0.223 239 S C 2.476 176.852 174.600 -0.372 0.000 1.032 239 S CA 1.280 59.352 58.200 -0.214 0.000 1.005 239 S CB -0.967 62.114 63.200 -0.197 0.000 0.867 239 S HN 0.742 nan 8.310 nan 0.000 0.449 240 A N 0.587 123.153 122.820 -0.423 0.000 1.902 240 A HA -0.051 4.280 4.320 0.018 0.000 0.217 240 A C 2.419 179.714 177.584 -0.481 0.000 1.181 240 A CA 2.157 53.846 52.037 -0.580 0.000 0.623 240 A CB -1.480 17.325 19.000 -0.324 0.000 0.818 240 A HN 0.617 nan 8.150 nan 0.000 0.443 241 S N -0.574 114.989 115.700 -0.229 0.000 2.359 241 S HA -0.197 4.283 4.470 0.018 0.000 0.223 241 S C 2.356 176.840 174.600 -0.195 0.000 1.039 241 S CA 2.207 60.322 58.200 -0.142 0.000 1.042 241 S CB -0.549 62.600 63.200 -0.085 0.000 0.915 241 S HN 0.632 nan 8.310 nan 0.000 0.439 242 S N 0.480 116.049 115.700 -0.218 0.000 2.370 242 S HA -0.030 4.450 4.470 0.018 0.000 0.226 242 S C 2.050 176.484 174.600 -0.276 0.000 1.033 242 S CA 1.482 59.560 58.200 -0.203 0.000 1.011 242 S CB -0.769 62.327 63.200 -0.173 0.000 0.852 242 S HN 0.709 nan 8.310 nan 0.000 0.457 243 A N 0.617 123.148 122.820 -0.482 0.000 1.930 243 A HA 0.032 4.362 4.320 0.018 0.000 0.217 243 A C 2.316 179.601 177.584 -0.499 0.000 1.175 243 A CA 1.573 53.224 52.037 -0.644 0.000 0.627 243 A CB -0.946 17.253 19.000 -1.336 0.000 0.815 243 A HN 0.434 nan 8.150 nan 0.000 0.443 244 V N 0.206 119.846 119.914 -0.457 0.000 2.255 244 V HA -0.266 3.865 4.120 0.018 0.000 0.247 244 V C 2.502 178.564 176.094 -0.053 0.000 1.051 244 V CA 2.086 64.310 62.300 -0.127 0.000 1.018 244 V CB -0.687 31.142 31.823 0.010 0.000 0.641 244 V HN 0.583 nan 8.190 nan 0.000 0.445 245 L N -0.261 120.915 121.223 -0.078 0.000 2.291 245 L HA -0.002 4.348 4.340 0.018 0.000 0.214 245 L C 2.427 179.267 176.870 -0.050 0.000 1.120 245 L CA 1.046 55.860 54.840 -0.043 0.000 0.799 245 L CB -0.559 41.472 42.059 -0.046 0.000 0.925 245 L HN 0.360 nan 8.230 nan 0.000 0.446 246 A N 0.116 122.887 122.820 -0.081 0.000 2.132 246 A HA 0.318 4.649 4.320 0.018 0.000 0.213 246 A C 1.358 178.919 177.584 -0.037 0.000 1.154 246 A CA 0.434 52.432 52.037 -0.065 0.000 0.753 246 A CB -0.255 18.691 19.000 -0.090 0.000 0.826 246 A HN 0.257 nan 8.150 nan 0.000 0.469 247 A N 0.161 122.967 122.820 -0.023 0.000 2.462 247 A HA 0.453 4.784 4.320 0.018 0.000 0.243 247 A C 0.723 178.321 177.584 0.022 0.000 1.076 247 A CA 0.253 52.300 52.037 0.017 0.000 0.773 247 A CB -0.075 18.963 19.000 0.063 0.000 1.010 247 A HN 0.418 nan 8.150 nan 0.000 0.493 248 S N 0.957 116.673 115.700 0.027 0.000 2.533 248 S HA 0.300 4.780 4.470 0.018 0.000 0.282 248 S C -0.052 174.565 174.600 0.028 0.000 1.304 248 S CA -0.422 57.791 58.200 0.021 0.000 1.063 248 S CB -0.140 63.072 63.200 0.019 0.000 0.881 248 S HN 0.644 nan 8.310 nan 0.000 0.493 249 V N 5.947 125.873 119.914 0.020 0.000 2.385 249 V HA 0.258 4.389 4.120 0.018 0.000 0.269 249 V C 1.370 177.474 176.094 0.016 0.000 1.043 249 V CA 0.088 62.400 62.300 0.021 0.000 0.906 249 V CB 0.841 32.672 31.823 0.014 0.000 0.995 249 V HN 1.104 nan 8.190 nan 0.000 0.467 250 T N -0.204 114.362 114.554 0.019 0.000 3.014 250 T HA 0.143 4.504 4.350 0.018 0.000 0.250 250 T C 0.724 175.431 174.700 0.011 0.000 1.060 250 T CA 0.311 62.420 62.100 0.015 0.000 1.040 250 T CB 0.424 69.303 68.868 0.019 0.000 0.971 250 T HN 0.520 nan 8.240 nan 0.000 0.497 251 S N 1.215 116.922 115.700 0.012 0.000 2.779 251 S HA 0.516 4.997 4.470 0.018 0.000 0.293 251 S C -0.979 173.624 174.600 0.005 0.000 1.150 251 S CA -0.502 57.702 58.200 0.007 0.000 1.057 251 S CB 1.180 64.384 63.200 0.007 0.000 1.021 251 S HN 0.311 nan 8.310 nan 0.000 0.485 252 T N 6.967 121.521 114.554 -0.000 0.000 2.743 252 T HA 0.509 4.870 4.350 0.018 0.000 0.292 252 T C -2.431 172.262 174.700 -0.010 0.000 0.972 252 T CA -0.841 61.256 62.100 -0.005 0.000 0.967 252 T CB 0.973 69.837 68.868 -0.007 0.000 0.926 252 T HN 0.474 nan 8.240 nan 0.000 0.459 253 P HA 0.370 nan 4.420 nan 0.000 0.274 253 P C -0.291 176.991 177.300 -0.030 0.000 1.231 253 P CA -0.536 62.551 63.100 -0.021 0.000 0.790 253 P CB 0.571 32.258 31.700 -0.022 0.000 0.951 254 S N 0.003 115.682 115.700 -0.034 0.000 2.655 254 S HA 0.258 4.738 4.470 0.018 0.000 0.265 254 S C 0.351 174.915 174.600 -0.061 0.000 1.240 254 S CA -0.289 57.886 58.200 -0.041 0.000 0.986 254 S CB 0.138 63.317 63.200 -0.035 0.000 0.985 254 S HN 0.526 nan 8.310 nan 0.000 0.562 255 S N -0.637 115.021 115.700 -0.069 0.000 3.561 255 S HA -0.138 4.342 4.470 0.018 0.000 0.318 255 S C -0.018 174.499 174.600 -0.140 0.000 1.181 255 S CA 0.234 58.373 58.200 -0.102 0.000 0.916 255 S CB -1.874 61.259 63.200 -0.112 0.000 0.966 255 S HN 0.544 nan 8.310 nan 0.000 0.550 256 L N 2.441 123.603 121.223 -0.102 0.000 2.426 256 L HA 0.314 4.665 4.340 0.018 0.000 0.271 256 L C -1.167 175.653 176.870 -0.083 0.000 1.169 256 L CA -1.689 53.091 54.840 -0.101 0.000 0.836 256 L CB 0.088 42.111 42.059 -0.059 0.000 1.112 256 L HN 0.048 nan 8.230 nan 0.000 0.465 257 P HA -0.016 nan 4.420 nan 0.000 0.270 257 P C -0.398 176.913 177.300 0.018 0.000 1.223 257 P CA -0.398 62.717 63.100 0.025 0.000 0.785 257 P CB 0.761 32.582 31.700 0.202 0.000 0.923 258 S N 0.597 116.310 115.700 0.023 0.000 2.575 258 S HA 0.272 4.753 4.470 0.018 0.000 0.295 258 S C 1.446 176.049 174.600 0.005 0.000 1.267 258 S CA 0.938 59.143 58.200 0.008 0.000 1.074 258 S CB -1.474 61.731 63.200 0.008 0.000 0.829 258 S HN 0.929 nan 8.310 nan 0.000 0.497 259 G N 3.427 112.224 108.800 -0.004 0.000 2.162 259 G HA2 -0.267 3.704 3.960 0.018 0.000 0.260 259 G HA3 -0.267 3.704 3.960 0.018 0.000 0.260 259 G C 1.014 175.907 174.900 -0.011 0.000 0.976 259 G CA 0.569 45.663 45.100 -0.009 0.000 0.655 259 G HN 1.433 nan 8.290 nan 0.000 0.533 260 A N -0.293 122.521 122.820 -0.009 0.000 1.892 260 A HA 0.205 4.536 4.320 0.018 0.000 0.218 260 A C 1.412 178.985 177.584 -0.017 0.000 1.188 260 A CA 1.460 53.487 52.037 -0.016 0.000 0.631 260 A CB -0.183 18.804 19.000 -0.022 0.000 0.822 260 A HN 0.924 nan 8.150 nan 0.000 0.447 261 I N -0.112 120.450 120.570 -0.014 0.000 2.396 261 I HA 0.486 4.667 4.170 0.018 0.000 0.289 261 I C 0.784 176.893 176.117 -0.014 0.000 1.056 261 I CA 0.663 61.957 61.300 -0.011 0.000 1.365 261 I CB 0.409 38.403 38.000 -0.009 0.000 1.407 261 I HN 0.532 nan 8.210 nan 0.000 0.509 262 G N 6.719 115.510 108.800 -0.015 0.000 2.353 262 G HA2 0.012 3.983 3.960 0.018 0.000 0.424 262 G HA3 0.012 3.983 3.960 0.018 0.000 0.424 262 G C -3.230 171.654 174.900 -0.027 0.000 1.320 262 G CA -1.186 43.901 45.100 -0.021 0.000 0.995 262 G HN 0.343 nan 8.290 nan 0.000 0.580 263 P HA 0.474 nan 4.420 nan 0.000 0.271 263 P C 0.520 177.797 177.300 -0.039 0.000 1.233 263 P CA 0.678 63.753 63.100 -0.041 0.000 0.789 263 P CB 0.837 32.512 31.700 -0.042 0.000 0.951 264 G N -0.336 108.437 108.800 -0.045 0.000 2.473 264 G HA2 0.591 4.562 3.960 0.018 0.000 0.321 264 G HA3 0.591 4.562 3.960 0.018 0.000 0.321 264 G C -0.907 173.963 174.900 -0.050 0.000 1.200 264 G CA -0.657 44.416 45.100 -0.045 0.000 0.963 264 G HN 0.586 nan 8.290 nan 0.000 0.483 265 A N 0.343 123.131 122.820 -0.053 0.000 2.466 265 A HA 0.414 4.744 4.320 0.018 0.000 0.238 265 A C 0.645 178.193 177.584 -0.059 0.000 1.074 265 A CA -0.051 51.953 52.037 -0.056 0.000 0.774 265 A CB 0.150 19.113 19.000 -0.060 0.000 1.015 265 A HN 0.777 nan 8.150 nan 0.000 0.498 266 E N 0.985 121.151 120.200 -0.056 0.000 2.415 266 E HA 0.330 4.690 4.350 0.018 0.000 0.263 266 E C 0.394 176.955 176.600 -0.066 0.000 0.995 266 E CA 0.059 56.425 56.400 -0.056 0.000 0.915 266 E CB 0.411 30.082 29.700 -0.047 0.000 0.951 266 E HN 0.795 nan 8.360 nan 0.000 0.449 267 A N 3.956 126.734 122.820 -0.070 0.000 2.488 267 A HA 0.352 4.682 4.320 0.018 0.000 0.249 267 A C -0.078 177.458 177.584 -0.080 0.000 1.083 267 A CA -0.099 51.887 52.037 -0.085 0.000 0.768 267 A CB 0.112 19.057 19.000 -0.092 0.000 1.017 267 A HN 0.553 nan 8.150 nan 0.000 0.496 268 V N -0.040 119.816 119.914 -0.097 0.000 3.141 268 V HA 0.768 4.899 4.120 0.018 0.000 0.312 268 V C -2.963 173.065 176.094 -0.110 0.000 1.157 268 V CA -2.691 59.556 62.300 -0.089 0.000 1.041 268 V CB 1.191 32.964 31.823 -0.083 0.000 1.071 268 V HN 0.657 nan 8.190 nan 0.000 0.441 269 P HA 0.289 nan 4.420 nan 0.000 0.265 269 P C -0.366 176.850 177.300 -0.140 0.000 1.193 269 P CA 0.097 63.141 63.100 -0.094 0.000 0.765 269 P CB 0.228 31.895 31.700 -0.055 0.000 0.823 270 L N 1.602 122.730 121.223 -0.158 0.000 2.464 270 L HA 0.397 4.748 4.340 0.018 0.000 0.264 270 L C 0.874 177.537 176.870 -0.346 0.000 1.199 270 L CA 0.403 55.075 54.840 -0.280 0.000 0.818 270 L CB 0.433 42.373 42.059 -0.199 0.000 1.102 270 L HN 0.376 nan 8.230 nan 0.000 0.473 271 S N 0.643 115.951 115.700 -0.653 0.000 2.536 271 S HA 0.720 5.201 4.470 0.018 0.000 0.271 271 S C -1.331 172.697 174.600 -0.953 0.000 1.134 271 S CA -0.529 57.344 58.200 -0.545 0.000 0.897 271 S CB 0.822 63.850 63.200 -0.286 0.000 1.094 271 S HN 0.300 nan 8.310 nan 0.000 0.473 272 F N 2.154 121.987 119.950 -0.194 0.000 2.529 272 F HA 0.678 5.215 4.527 0.016 0.000 0.320 272 F C 0.579 176.277 175.800 -0.171 0.000 1.118 272 F CA -0.869 56.946 58.000 -0.309 0.000 0.915 272 F CB 1.645 40.197 39.000 -0.747 0.000 1.161 272 F HN 0.706 nan 8.300 nan 0.000 0.445 273 A N 1.670 124.502 122.820 0.019 0.000 2.546 273 A HA 0.193 4.523 4.320 0.018 0.000 0.243 273 A C 1.296 178.921 177.584 0.068 0.000 1.063 273 A CA 0.195 52.248 52.037 0.028 0.000 0.757 273 A CB 0.085 19.095 19.000 0.016 0.000 0.991 273 A HN 0.893 nan 8.150 nan 0.000 0.503 274 S N 0.880 116.617 115.700 0.062 0.000 2.419 274 S HA -0.165 4.316 4.470 0.018 0.000 0.235 274 S C 2.212 176.853 174.600 0.069 0.000 1.019 274 S CA 2.017 60.263 58.200 0.075 0.000 0.982 274 S CB -0.397 62.836 63.200 0.055 0.000 0.789 274 S HN 1.076 nan 8.310 nan 0.000 0.490 275 T N -0.783 113.802 114.554 0.052 0.000 2.904 275 T HA 0.105 4.466 4.350 0.018 0.000 0.267 275 T C 0.793 175.522 174.700 0.049 0.000 1.059 275 T CA 0.292 62.416 62.100 0.041 0.000 1.137 275 T CB -0.346 68.537 68.868 0.027 0.000 0.879 275 T HN 0.302 nan 8.240 nan 0.000 0.467 276 M N 4.210 123.853 119.600 0.072 0.000 2.246 276 M HA 0.184 4.674 4.480 0.018 0.000 0.350 276 M C -0.132 176.247 176.300 0.132 0.000 1.406 276 M CA -0.118 55.235 55.300 0.087 0.000 1.089 276 M CB 0.494 33.156 32.600 0.103 0.000 1.782 276 M HN 0.410 nan 8.290 nan 0.000 0.457 277 T N 4.517 119.085 114.554 0.023 0.000 2.856 277 T HA 0.604 4.965 4.350 0.018 0.000 0.292 277 T C -2.445 172.163 174.700 -0.152 0.000 0.980 277 T CA -1.546 60.524 62.100 -0.051 0.000 1.091 277 T CB 0.614 69.427 68.868 -0.092 0.000 0.936 277 T HN 0.511 nan 8.240 nan 0.000 0.503 278 P HA 0.248 nan 4.420 nan 0.000 0.272 278 P C -0.513 176.568 177.300 -0.365 0.000 1.223 278 P CA -0.627 62.153 63.100 -0.533 0.000 0.784 278 P CB 0.338 31.536 31.700 -0.836 0.000 0.923 279 F N 0.517 120.339 119.950 -0.214 0.000 2.506 279 F HA 0.073 4.610 4.527 0.017 0.000 0.351 279 F C 1.418 177.043 175.800 -0.291 0.000 1.136 279 F CA 0.003 57.864 58.000 -0.232 0.000 1.298 279 F CB -0.196 38.587 39.000 -0.361 0.000 1.145 279 F HN 0.090 nan 8.300 nan 0.000 0.593 280 L N 3.875 125.044 121.223 -0.091 0.000 2.490 280 L HA 0.019 4.369 4.340 0.018 0.000 0.274 280 L C -0.086 176.662 176.870 -0.203 0.000 1.201 280 L CA -0.058 54.689 54.840 -0.155 0.000 0.869 280 L CB 0.091 42.081 42.059 -0.116 0.000 1.123 280 L HN 0.414 nan 8.230 nan 0.000 0.484 281 L N 3.570 124.755 121.223 -0.063 0.000 2.380 281 L HA 0.287 4.637 4.340 0.018 0.000 0.273 281 L C 0.780 177.759 176.870 0.182 0.000 1.138 281 L CA -0.342 54.509 54.840 0.018 0.000 0.832 281 L CB 0.898 42.955 42.059 -0.003 0.000 1.124 281 L HN 0.718 nan 8.230 nan 0.000 0.454 282 A N 1.754 124.741 122.820 0.280 0.000 2.540 282 A HA 0.212 4.542 4.320 0.018 0.000 0.239 282 A C 1.032 178.710 177.584 0.156 0.000 1.061 282 A CA 0.277 52.503 52.037 0.315 0.000 0.758 282 A CB 0.002 19.139 19.000 0.227 0.000 0.991 282 A HN 0.874 nan 8.150 nan 0.000 0.502 283 T N 0.296 114.920 114.554 0.117 0.000 3.105 283 T HA 0.101 4.462 4.350 0.018 0.000 0.253 283 T C 0.430 175.153 174.700 0.037 0.000 1.047 283 T CA -0.332 61.807 62.100 0.064 0.000 0.944 283 T CB -0.562 68.337 68.868 0.052 0.000 1.016 283 T HN 0.643 nan 8.240 nan 0.000 0.544 284 N N 2.409 121.129 118.700 0.035 0.000 2.407 284 N HA 0.289 5.040 4.740 0.018 0.000 0.250 284 N C 0.438 175.971 175.510 0.038 0.000 1.236 284 N CA 0.102 53.167 53.050 0.025 0.000 0.879 284 N CB 0.611 39.111 38.487 0.022 0.000 1.088 284 N HN 0.517 nan 8.380 nan 0.000 0.450 285 A N 3.493 126.336 122.820 0.039 0.000 2.507 285 A HA 0.134 4.465 4.320 0.018 0.000 0.235 285 A C -1.827 175.807 177.584 0.084 0.000 1.070 285 A CA -0.797 51.273 52.037 0.055 0.000 0.768 285 A CB -0.354 18.682 19.000 0.059 0.000 1.011 285 A HN 0.461 nan 8.150 nan 0.000 0.502 286 P HA 0.038 nan 4.420 nan 0.000 0.268 286 P C -0.664 176.756 177.300 0.199 0.000 1.204 286 P CA 0.325 63.501 63.100 0.126 0.000 0.768 286 P CB 0.171 31.922 31.700 0.085 0.000 0.842 287 Y N 5.337 125.685 120.300 0.080 0.000 2.497 287 Y HA 0.234 4.794 4.550 0.017 0.000 0.334 287 Y C -0.450 175.540 175.900 0.150 0.000 1.199 287 Y CA 0.126 58.262 58.100 0.060 0.000 1.425 287 Y CB 0.256 38.748 38.460 0.053 0.000 1.291 287 Y HN 0.448 nan 8.280 nan 0.000 0.562 288 Y N 2.810 122.591 120.300 -0.865 0.000 2.534 288 Y HA 0.796 5.356 4.550 0.018 0.000 0.345 288 Y C -0.879 174.419 175.900 -1.003 0.000 1.031 288 Y CA -1.837 55.772 58.100 -0.819 0.000 1.022 288 Y CB 0.403 38.693 38.460 -0.282 0.000 1.292 288 Y HN 0.860 nan 8.280 nan 0.000 0.459 289 A N 2.368 124.834 122.820 -0.591 0.000 2.520 289 A HA 0.301 4.632 4.320 0.018 0.000 0.245 289 A C 0.189 177.638 177.584 -0.224 0.000 1.072 289 A CA -0.044 51.774 52.037 -0.364 0.000 0.761 289 A CB 0.129 18.997 19.000 -0.220 0.000 1.004 289 A HN 0.954 nan 8.150 nan 0.000 0.499 290 Q N 0.133 119.809 119.800 -0.206 0.000 2.113 290 Q HA 0.105 4.456 4.340 0.018 0.000 0.225 290 Q C -0.821 175.140 176.000 -0.065 0.000 0.786 290 Q CA 0.060 55.783 55.803 -0.134 0.000 0.989 290 Q CB 0.867 29.471 28.738 -0.225 0.000 1.174 290 Q HN 0.820 nan 8.270 nan 0.000 0.470 291 D N 2.025 122.394 120.400 -0.052 0.000 2.613 291 D HA 0.172 4.822 4.640 0.018 0.000 0.312 291 D C -2.169 174.115 176.300 -0.027 0.000 1.202 291 D CA -1.338 52.647 54.000 -0.025 0.000 0.825 291 D CB 0.856 41.653 40.800 -0.004 0.000 1.113 291 D HN 0.055 nan 8.370 nan 0.000 0.502 292 P HA 0.355 nan 4.420 nan 0.000 0.283 292 P C -0.065 177.204 177.300 -0.052 0.000 1.278 292 P CA -0.496 62.584 63.100 -0.033 0.000 0.834 292 P CB 0.806 32.495 31.700 -0.020 0.000 1.150 293 T N -1.213 113.329 114.554 -0.021 0.000 2.856 293 T HA 0.322 4.682 4.350 0.018 0.000 0.306 293 T C 0.525 175.195 174.700 -0.049 0.000 1.062 293 T CA -0.621 61.480 62.100 0.001 0.000 1.083 293 T CB 0.081 68.989 68.868 0.066 0.000 0.984 293 T HN 0.253 nan 8.240 nan 0.000 0.542 294 L N 1.736 122.896 121.223 -0.106 0.000 2.325 294 L HA 0.609 4.960 4.340 0.018 0.000 0.279 294 L C 1.224 178.052 176.870 -0.069 0.000 1.054 294 L CA -1.114 53.587 54.840 -0.231 0.000 0.804 294 L CB 1.168 42.764 42.059 -0.771 0.000 1.200 294 L HN 0.992 nan 8.230 nan 0.000 0.436 295 G N 1.169 109.959 108.800 -0.016 0.000 2.547 295 G HA2 0.361 4.332 3.960 0.018 0.000 0.291 295 G HA3 0.361 4.332 3.960 0.018 0.000 0.291 295 G C -1.709 173.263 174.900 0.120 0.000 1.211 295 G CA -0.949 44.190 45.100 0.065 0.000 0.950 295 G HN 0.474 nan 8.290 nan 0.000 0.504 296 P HA -0.106 nan 4.420 nan 0.000 0.219 296 P C 0.725 178.138 177.300 0.188 0.000 1.146 296 P CA 1.147 64.338 63.100 0.152 0.000 0.808 296 P CB 0.163 31.918 31.700 0.091 0.000 0.779 297 N N -0.782 118.032 118.700 0.191 0.000 2.268 297 N HA 0.042 4.792 4.740 0.018 0.000 0.204 297 N C 0.068 175.755 175.510 0.294 0.000 1.124 297 N CA -0.237 52.959 53.050 0.244 0.000 0.838 297 N CB 0.091 38.718 38.487 0.233 0.000 0.994 297 N HN 0.134 nan 8.380 nan 0.000 0.489 298 D N 0.000 120.537 120.400 0.228 0.000 6.856 298 D HA 0.000 4.651 4.640 0.018 0.000 0.175 298 D CA 0.000 54.108 54.000 0.179 0.000 0.868 298 D CB 0.000 40.859 40.800 0.099 0.000 0.688 298 D HN 0.000 nan 8.370 nan 0.000 0.683