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 1w51_1_A DATA FIRST_RESID -1 DATA SEQUENCE FVEMVDNLRG KSGQGYYVEM TVGSPPQTLN ILVDTGSSNF AVGAAPHPFL DATA SEQUENCE HRYYQRQLSS TYRDLRKGVY VPYTQGKWEG ELGTDLVSIP HGPNVTVRAN DATA SEQUENCE IAAITESDKF FINGSNWEGI LGLAYAEIAR PDDSLEPFFD SLVKQTHVPN DATA SEQUENCE LFSLQLcGAX XXXXXXXXXA SVGGSMIIGG IDHSLYTGSL WYTPIRREWY DATA SEQUENCE YEVIIVRVEI NGQDLKMDcK EYNYDKSIVD SGTTNLRLPK KVFEAAVKSI DATA SEQUENCE KAASSTEKFP DGFWLGEQLV cWQAGTTPWN IFPVISLYLM GEVTNQSFRI DATA SEQUENCE TILPQQYLRP VEXXXTSQDD cYKFAISQSS TGTVMGAVIM EGFYVVFDRA DATA SEQUENCE RKRIGFAVSA cHVHDEFRTA AVEGPFVTLD MEDcGYNI 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 F HA 0.000 nan 4.527 nan 0.000 0.279 -1 F C 0.000 175.833 175.800 0.055 0.000 0.967 -1 F CA 0.000 58.038 58.000 0.064 0.000 1.383 -1 F CB 0.000 39.051 39.000 0.085 0.000 1.145 0 V N -1.814 118.198 119.914 0.162 0.000 2.794 0 V HA -0.256 3.864 4.120 -0.000 0.000 0.260 0 V C 2.012 178.170 176.094 0.108 0.000 1.103 0 V CA 2.303 64.669 62.300 0.111 0.000 1.125 0 V CB -0.593 31.266 31.823 0.060 0.000 0.702 0 V HN 0.675 nan 8.190 nan 0.000 0.494 1 E N 1.576 121.858 120.200 0.137 0.000 2.048 1 E HA -0.318 4.032 4.350 -0.000 0.000 0.202 1 E C 2.063 178.754 176.600 0.152 0.000 1.021 1 E CA 2.306 58.795 56.400 0.149 0.000 0.825 1 E CB -0.600 29.201 29.700 0.167 0.000 0.756 1 E HN 0.645 nan 8.360 nan 0.000 0.454 2 M N 1.146 120.849 119.600 0.172 0.000 2.558 2 M HA 0.119 4.598 4.480 -0.000 0.000 0.255 2 M C 0.595 176.944 176.300 0.081 0.000 1.113 2 M CA 0.044 55.424 55.300 0.133 0.000 1.097 2 M CB 0.454 33.129 32.600 0.124 0.000 1.426 2 M HN -0.127 nan 8.290 nan 0.000 0.488 3 V N 2.756 122.719 119.914 0.081 0.000 2.673 3 V HA -0.115 4.005 4.120 -0.000 0.000 0.303 3 V C 0.758 176.853 176.094 0.003 0.000 1.046 3 V CA 0.969 63.297 62.300 0.046 0.000 1.126 3 V CB 0.381 32.232 31.823 0.047 0.000 0.934 3 V HN 0.563 nan 8.190 nan 0.000 0.487 4 D N 2.771 123.169 120.400 -0.003 0.000 3.090 4 D HA -0.180 4.459 4.640 -0.000 0.000 0.215 4 D C 1.059 177.327 176.300 -0.053 0.000 1.140 4 D CA 1.190 55.174 54.000 -0.027 0.000 0.937 4 D CB -0.915 39.861 40.800 -0.039 0.000 1.108 4 D HN 0.892 nan 8.370 nan 0.000 0.420 5 N N 0.306 118.986 118.700 -0.034 0.000 2.461 5 N HA -0.024 4.716 4.740 -0.000 0.000 0.188 5 N C 0.423 175.934 175.510 0.001 0.000 1.134 5 N CA 0.304 53.341 53.050 -0.022 0.000 0.878 5 N CB -0.093 38.428 38.487 0.057 0.000 0.972 5 N HN 0.392 nan 8.380 nan 0.000 0.456 6 L N 0.521 121.732 121.223 -0.020 0.000 2.322 6 L HA 0.520 4.860 4.340 -0.000 0.000 0.281 6 L C 0.240 177.050 176.870 -0.101 0.000 1.014 6 L CA -0.757 54.062 54.840 -0.035 0.000 0.815 6 L CB 1.560 43.632 42.059 0.022 0.000 1.247 6 L HN -0.048 nan 8.230 nan 0.000 0.421 7 R N 1.340 121.625 120.500 -0.359 0.000 2.888 7 R HA 0.890 5.230 4.340 -0.000 0.000 0.266 7 R C -0.459 175.322 176.300 -0.865 0.000 1.020 7 R CA -0.826 54.949 56.100 -0.542 0.000 0.963 7 R CB 2.316 32.290 30.300 -0.544 0.000 1.197 7 R HN 0.824 nan 8.270 nan 0.000 0.481 8 G N 0.568 109.037 108.800 -0.552 0.000 2.451 8 G HA2 0.386 4.345 3.960 -0.000 0.000 0.292 8 G HA3 0.386 4.345 3.960 -0.000 0.000 0.292 8 G C -1.687 173.112 174.900 -0.169 0.000 1.427 8 G CA -0.633 44.232 45.100 -0.391 0.000 0.792 8 G HN 0.228 nan 8.290 nan 0.000 0.498 9 K N -0.117 120.234 120.400 -0.082 0.000 2.395 9 K HA 0.693 5.013 4.320 -0.000 0.000 0.247 9 K C -0.244 176.306 176.600 -0.085 0.000 0.973 9 K CA -0.906 55.348 56.287 -0.055 0.000 0.828 9 K CB 1.768 34.275 32.500 0.012 0.000 1.272 9 K HN 0.542 nan 8.250 nan 0.000 0.439 10 S N 0.142 115.806 115.700 -0.059 0.000 2.546 10 S HA 0.278 4.747 4.470 -0.000 0.000 0.290 10 S C 1.070 175.658 174.600 -0.019 0.000 1.262 10 S CA 1.384 59.557 58.200 -0.045 0.000 1.083 10 S CB -0.797 62.396 63.200 -0.012 0.000 0.859 10 S HN 0.845 nan 8.310 nan 0.000 0.495 11 G N 4.204 112.994 108.800 -0.018 0.000 2.153 11 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.252 11 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.252 11 G C 0.229 175.150 174.900 0.036 0.000 0.994 11 G CA 0.613 45.721 45.100 0.014 0.000 0.698 11 G HN 0.766 nan 8.290 nan 0.000 0.521 12 Q N -0.406 119.416 119.800 0.037 0.000 2.135 12 Q HA 0.458 4.798 4.340 -0.000 0.000 0.231 12 Q C 1.276 177.364 176.000 0.146 0.000 0.817 12 Q CA -0.033 55.866 55.803 0.160 0.000 1.073 12 Q CB 1.249 30.104 28.738 0.195 0.000 1.176 12 Q HN 1.596 nan 8.270 nan 0.000 0.478 13 G N 1.282 110.064 108.800 -0.030 0.000 2.806 13 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.236 13 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.236 13 G C -1.023 173.732 174.900 -0.240 0.000 1.387 13 G CA -0.577 44.460 45.100 -0.104 0.000 0.884 13 G HN 0.281 nan 8.290 nan 0.000 0.560 14 Y N 0.100 120.326 120.300 -0.124 0.000 2.352 14 Y HA 0.625 5.175 4.550 -0.000 0.000 0.339 14 Y C 0.515 176.334 175.900 -0.135 0.000 0.992 14 Y CA -0.374 57.632 58.100 -0.155 0.000 1.100 14 Y CB 1.826 40.202 38.460 -0.140 0.000 1.192 14 Y HN 0.771 nan 8.280 nan 0.000 0.458 15 Y N 0.556 120.874 120.300 0.029 0.000 2.509 15 Y HA 0.828 5.378 4.550 -0.000 0.000 0.341 15 Y C -1.434 174.479 175.900 0.022 0.000 1.038 15 Y CA -1.822 56.273 58.100 -0.009 0.000 1.089 15 Y CB 0.911 39.403 38.460 0.053 0.000 1.241 15 Y HN 0.413 nan 8.280 nan 0.000 0.468 16 V N 2.270 122.302 119.914 0.196 0.000 2.715 16 V HA 0.365 4.485 4.120 -0.000 0.000 0.310 16 V C -0.548 175.645 176.094 0.164 0.000 1.054 16 V CA -0.887 61.494 62.300 0.134 0.000 0.928 16 V CB 1.726 33.559 31.823 0.016 0.000 1.007 16 V HN 0.990 nan 8.190 nan 0.000 0.437 17 E N 4.860 125.159 120.200 0.165 0.000 2.338 17 E HA 0.453 4.803 4.350 -0.000 0.000 0.272 17 E C -0.750 175.872 176.600 0.036 0.000 1.029 17 E CA -0.098 56.369 56.400 0.113 0.000 0.872 17 E CB 0.820 30.603 29.700 0.137 0.000 1.015 17 E HN 0.650 nan 8.360 nan 0.000 0.417 18 M N 1.443 121.048 119.600 0.008 0.000 2.704 18 M HA 0.371 4.851 4.480 -0.000 0.000 0.284 18 M C -0.649 175.647 176.300 -0.006 0.000 1.275 18 M CA -0.955 54.330 55.300 -0.025 0.000 0.811 18 M CB 2.382 34.937 32.600 -0.074 0.000 1.741 18 M HN 0.491 nan 8.290 nan 0.000 0.458 19 T N -0.977 113.576 114.554 -0.002 0.000 2.893 19 T HA 0.847 5.197 4.350 -0.000 0.000 0.291 19 T C -1.021 173.691 174.700 0.020 0.000 1.028 19 T CA -0.765 61.340 62.100 0.007 0.000 0.995 19 T CB 1.689 70.561 68.868 0.006 0.000 1.051 19 T HN 0.443 nan 8.240 nan 0.000 0.470 20 V N 1.528 121.444 119.914 0.004 0.000 2.760 20 V HA 0.851 4.970 4.120 -0.000 0.000 0.309 20 V C 0.806 176.939 176.094 0.066 0.000 1.077 20 V CA 0.283 62.568 62.300 -0.026 0.000 0.910 20 V CB 1.030 32.692 31.823 -0.268 0.000 1.008 20 V HN 1.681 nan 8.190 nan 0.000 0.424 21 G N 4.131 113.010 108.800 0.132 0.000 2.860 21 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.553 21 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.553 21 G C -0.366 174.607 174.900 0.121 0.000 1.439 21 G CA -0.231 44.984 45.100 0.192 0.000 0.879 21 G HN 1.151 nan 8.290 nan 0.000 0.545 22 S N 2.595 118.361 115.700 0.110 0.000 2.552 22 S HA 0.726 5.196 4.470 -0.000 0.000 0.314 22 S C -1.827 172.810 174.600 0.061 0.000 1.099 22 S CA -0.722 57.521 58.200 0.072 0.000 1.070 22 S CB 2.485 65.723 63.200 0.064 0.000 0.998 22 S HN 0.835 nan 8.310 nan 0.000 0.474 23 P HA 0.298 nan 4.420 nan 0.000 0.274 23 P C -2.970 174.357 177.300 0.046 0.000 1.264 23 P CA -1.518 61.605 63.100 0.037 0.000 0.795 23 P CB -0.952 30.762 31.700 0.024 0.000 1.064 24 P HA 0.271 nan 4.420 nan 0.000 0.287 24 P C -0.691 176.626 177.300 0.029 0.000 1.294 24 P CA -0.017 63.104 63.100 0.035 0.000 0.776 24 P CB 0.247 31.959 31.700 0.019 0.000 0.889 25 Q N 1.476 121.303 119.800 0.045 0.000 2.314 25 Q HA 0.239 4.579 4.340 -0.000 0.000 0.257 25 Q C -0.036 175.970 176.000 0.011 0.000 0.975 25 Q CA -0.060 55.762 55.803 0.032 0.000 0.933 25 Q CB 0.327 29.113 28.738 0.080 0.000 1.195 25 Q HN 0.377 nan 8.270 nan 0.000 0.426 26 T N 4.281 118.833 114.554 -0.002 0.000 2.814 26 T HA 0.359 4.709 4.350 -0.000 0.000 0.297 26 T C -0.165 174.530 174.700 -0.009 0.000 0.956 26 T CA -0.070 62.026 62.100 -0.006 0.000 1.123 26 T CB 0.123 68.987 68.868 -0.008 0.000 0.902 26 T HN 0.330 nan 8.240 nan 0.000 0.528 27 L N 3.460 124.684 121.223 0.001 0.000 2.388 27 L HA 0.500 4.840 4.340 -0.000 0.000 0.264 27 L C -0.125 176.756 176.870 0.018 0.000 0.998 27 L CA -1.251 53.592 54.840 0.006 0.000 0.817 27 L CB 1.836 43.906 42.059 0.019 0.000 1.338 27 L HN 0.400 nan 8.230 nan 0.000 0.414 28 N N 2.927 121.619 118.700 -0.012 0.000 2.420 28 N HA 0.386 5.126 4.740 -0.000 0.000 0.249 28 N C -0.907 174.649 175.510 0.077 0.000 1.033 28 N CA -0.277 52.757 53.050 -0.026 0.000 0.944 28 N CB 1.106 39.382 38.487 -0.353 0.000 1.113 28 N HN 0.297 nan 8.380 nan 0.000 0.502 29 I N 2.684 123.327 120.570 0.122 0.000 2.354 29 I HA 0.255 4.424 4.170 -0.000 0.000 0.292 29 I C 0.513 176.651 176.117 0.035 0.000 0.989 29 I CA -1.044 60.321 61.300 0.109 0.000 1.188 29 I CB 1.111 39.151 38.000 0.067 0.000 1.342 29 I HN 0.279 nan 8.210 nan 0.000 0.457 30 L N 7.394 128.532 121.223 -0.141 0.000 2.499 30 L HA 0.103 4.443 4.340 -0.000 0.000 0.273 30 L C -0.200 176.519 176.870 -0.251 0.000 1.195 30 L CA 0.324 54.942 54.840 -0.371 0.000 0.882 30 L CB 0.608 42.085 42.059 -0.971 0.000 1.133 30 L HN 0.337 nan 8.230 nan 0.000 0.483 31 V N 4.977 124.776 119.914 -0.192 0.000 2.385 31 V HA 0.272 4.392 4.120 -0.000 0.000 0.269 31 V C -0.436 175.534 176.094 -0.207 0.000 1.043 31 V CA -0.187 61.989 62.300 -0.206 0.000 0.906 31 V CB 1.165 32.881 31.823 -0.178 0.000 0.995 31 V HN 0.808 nan 8.190 nan 0.000 0.467 32 D N 2.928 123.198 120.400 -0.217 0.000 2.386 32 D HA 0.201 4.841 4.640 -0.000 0.000 0.247 32 D C 0.869 177.095 176.300 -0.124 0.000 1.336 32 D CA -0.155 53.749 54.000 -0.160 0.000 0.976 32 D CB 1.695 42.400 40.800 -0.158 0.000 1.257 32 D HN 0.551 nan 8.370 nan 0.000 0.570 33 T N -0.075 114.417 114.554 -0.104 0.000 3.194 33 T HA 0.183 4.532 4.350 -0.000 0.000 0.251 33 T C 1.567 176.359 174.700 0.155 0.000 1.132 33 T CA 0.371 62.478 62.100 0.012 0.000 1.028 33 T CB 0.221 69.013 68.868 -0.127 0.000 0.976 33 T HN 0.297 nan 8.240 nan 0.000 0.535 34 G N 0.936 109.788 108.800 0.087 0.000 2.838 34 G HA2 0.347 4.307 3.960 -0.000 0.000 0.210 34 G HA3 0.347 4.307 3.960 -0.000 0.000 0.210 34 G C 0.549 175.500 174.900 0.085 0.000 1.153 34 G CA 0.282 45.466 45.100 0.140 0.000 0.778 34 G HN 0.778 nan 8.290 nan 0.000 0.539 35 S N -1.823 113.901 115.700 0.039 0.000 2.720 35 S HA 0.648 5.118 4.470 -0.000 0.000 0.287 35 S C 0.039 174.645 174.600 0.009 0.000 1.168 35 S CA 0.026 58.258 58.200 0.053 0.000 0.832 35 S CB 1.831 65.224 63.200 0.321 0.000 1.166 35 S HN -0.057 nan 8.310 nan 0.000 0.493 36 S N 0.087 115.810 115.700 0.039 0.000 2.847 36 S HA 0.371 4.841 4.470 -0.000 0.000 0.254 36 S C -0.526 174.152 174.600 0.129 0.000 1.039 36 S CA -0.467 57.758 58.200 0.042 0.000 1.113 36 S CB -0.361 62.837 63.200 -0.004 0.000 1.092 36 S HN 0.693 nan 8.310 nan 0.000 0.620 37 N N 1.449 120.270 118.700 0.202 0.000 2.430 37 N HA 0.449 5.189 4.740 -0.000 0.000 0.292 37 N C -1.366 174.340 175.510 0.327 0.000 1.051 37 N CA -0.438 52.784 53.050 0.285 0.000 0.917 37 N CB 0.757 39.481 38.487 0.394 0.000 1.164 37 N HN 0.113 nan 8.380 nan 0.000 0.484 38 F N 2.802 122.818 119.950 0.110 0.000 2.350 38 F HA 0.660 5.186 4.527 -0.000 0.000 0.365 38 F C -0.611 175.184 175.800 -0.009 0.000 1.122 38 F CA -1.693 56.317 58.000 0.017 0.000 1.139 38 F CB -0.361 38.641 39.000 0.004 0.000 1.220 38 F HN 0.446 nan 8.300 nan 0.000 0.499 39 A N 6.054 128.783 122.820 -0.151 0.000 2.356 39 A HA 0.774 5.093 4.320 -0.000 0.000 0.310 39 A C -1.707 175.622 177.584 -0.426 0.000 1.075 39 A CA -0.716 51.003 52.037 -0.532 0.000 0.746 39 A CB 1.647 19.952 19.000 -1.158 0.000 1.221 39 A HN 0.745 nan 8.150 nan 0.000 0.443 40 V N 1.953 121.637 119.914 -0.384 0.000 2.841 40 V HA 0.754 4.873 4.120 -0.000 0.000 0.310 40 V C 0.618 176.736 176.094 0.040 0.000 1.090 40 V CA 0.151 62.377 62.300 -0.124 0.000 0.930 40 V CB 1.903 33.588 31.823 -0.230 0.000 1.014 40 V HN 1.545 nan 8.190 nan 0.000 0.425 41 G N 4.040 112.975 108.800 0.224 0.000 2.272 41 G HA2 0.441 4.401 3.960 -0.000 0.000 0.247 41 G HA3 0.441 4.401 3.960 -0.000 0.000 0.247 41 G C 0.500 175.502 174.900 0.170 0.000 1.272 41 G CA 0.378 45.601 45.100 0.205 0.000 0.921 41 G HN 1.657 nan 8.290 nan 0.000 0.495 42 A N 1.730 124.622 122.820 0.120 0.000 2.571 42 A HA 0.777 5.097 4.320 -0.000 0.000 0.274 42 A C 0.861 178.438 177.584 -0.012 0.000 1.196 42 A CA 0.726 52.840 52.037 0.127 0.000 0.957 42 A CB 0.203 19.247 19.000 0.073 0.000 1.150 42 A HN 1.681 nan 8.150 nan 0.000 0.539 43 A N 0.496 123.172 122.820 -0.241 0.000 2.539 43 A HA 0.760 5.080 4.320 -0.000 0.000 0.296 43 A C -3.037 173.981 177.584 -0.944 0.000 1.073 43 A CA -1.601 50.144 52.037 -0.487 0.000 0.700 43 A CB 1.039 19.919 19.000 -0.200 0.000 1.296 43 A HN -0.010 nan 8.150 nan 0.000 0.405 44 P HA 0.083 nan 4.420 nan 0.000 0.226 44 P C -0.314 176.780 177.300 -0.344 0.000 1.783 44 P CA 0.221 62.846 63.100 -0.793 0.000 0.980 44 P CB -0.905 30.523 31.700 -0.453 0.000 1.967 45 H N 3.788 122.629 119.070 -0.382 0.000 3.001 45 H HA 0.021 4.577 4.556 -0.000 0.000 0.334 45 H C -0.779 174.402 175.328 -0.244 0.000 1.034 45 H CA -0.646 55.223 56.048 -0.298 0.000 1.420 45 H CB 0.790 30.355 29.762 -0.328 0.000 1.405 45 H HN 0.156 nan 8.280 nan 0.000 0.593 46 P HA -0.145 nan 4.420 nan 0.000 0.230 46 P C 0.516 177.922 177.300 0.177 0.000 1.158 46 P CA 0.875 63.921 63.100 -0.090 0.000 0.769 46 P CB 0.249 31.867 31.700 -0.137 0.000 0.807 47 F N -0.386 119.634 119.950 0.117 0.000 2.743 47 F HA 0.202 4.729 4.527 -0.000 0.000 0.297 47 F C 1.440 177.092 175.800 -0.247 0.000 1.131 47 F CA -0.621 57.357 58.000 -0.037 0.000 1.426 47 F CB -0.719 38.288 39.000 0.013 0.000 1.116 47 F HN -0.179 nan 8.300 nan 0.000 0.583 48 L N -0.224 120.963 121.223 -0.060 0.000 2.307 48 L HA 0.259 4.599 4.340 -0.000 0.000 0.282 48 L C 1.602 178.397 176.870 -0.124 0.000 1.051 48 L CA -0.531 54.201 54.840 -0.181 0.000 0.804 48 L CB 1.207 43.133 42.059 -0.223 0.000 1.197 48 L HN 0.075 nan 8.230 nan 0.000 0.431 49 H N 2.571 121.589 119.070 -0.087 0.000 2.415 49 H HA 0.085 4.640 4.556 -0.000 0.000 0.297 49 H C 0.217 175.521 175.328 -0.040 0.000 1.048 49 H CA 0.691 56.705 56.048 -0.058 0.000 1.365 49 H CB 0.491 30.201 29.762 -0.087 0.000 1.421 49 H HN 0.563 nan 8.280 nan 0.000 0.533 50 R N -0.323 120.229 120.500 0.086 0.000 2.831 50 R HA 0.451 4.791 4.340 -0.000 0.000 0.266 50 R C -1.696 174.642 176.300 0.064 0.000 1.051 50 R CA -0.982 55.105 56.100 -0.021 0.000 0.943 50 R CB 1.884 32.144 30.300 -0.067 0.000 1.228 50 R HN 0.061 nan 8.270 nan 0.000 0.467 51 Y N -2.769 117.519 120.300 -0.020 0.000 2.641 51 Y HA 0.425 4.974 4.550 -0.000 0.000 0.333 51 Y C -1.700 174.243 175.900 0.072 0.000 1.174 51 Y CA -1.656 56.441 58.100 -0.005 0.000 1.057 51 Y CB 0.636 39.069 38.460 -0.044 0.000 1.322 51 Y HN 0.581 nan 8.280 nan 0.000 0.457 52 Y N 3.139 123.495 120.300 0.094 0.000 2.436 52 Y HA 0.319 4.868 4.550 -0.000 0.000 0.336 52 Y C -0.428 175.496 175.900 0.040 0.000 1.049 52 Y CA -0.719 57.386 58.100 0.009 0.000 1.294 52 Y CB 0.849 39.296 38.460 -0.022 0.000 1.179 52 Y HN 0.686 nan 8.280 nan 0.000 0.520 53 Q N 7.316 127.068 119.800 -0.079 0.000 2.466 53 Q HA 0.265 4.605 4.340 -0.000 0.000 0.242 53 Q C 0.868 176.590 176.000 -0.463 0.000 1.046 53 Q CA -0.429 55.249 55.803 -0.208 0.000 0.841 53 Q CB 0.995 29.663 28.738 -0.117 0.000 1.193 53 Q HN 0.794 nan 8.270 nan 0.000 0.508 54 R N 1.195 121.230 120.500 -0.775 0.000 2.120 54 R HA -0.195 4.145 4.340 -0.000 0.000 0.234 54 R C 2.216 178.234 176.300 -0.469 0.000 1.123 54 R CA 1.326 56.858 56.100 -0.947 0.000 0.975 54 R CB 0.063 29.577 30.300 -1.310 0.000 0.866 54 R HN 0.621 nan 8.270 nan 0.000 0.446 55 Q N 1.222 120.840 119.800 -0.303 0.000 2.181 55 Q HA -0.177 4.162 4.340 -0.000 0.000 0.205 55 Q C 1.666 177.611 176.000 -0.092 0.000 0.980 55 Q CA 1.559 57.272 55.803 -0.149 0.000 0.862 55 Q CB -0.296 28.378 28.738 -0.106 0.000 0.905 55 Q HN 0.439 nan 8.270 nan 0.000 0.429 56 L N 1.320 122.483 121.223 -0.100 0.000 2.599 56 L HA 0.130 4.470 4.340 -0.000 0.000 0.230 56 L C 1.037 177.905 176.870 -0.003 0.000 1.141 56 L CA 0.089 54.903 54.840 -0.043 0.000 0.877 56 L CB 0.192 42.227 42.059 -0.040 0.000 1.009 56 L HN 0.070 nan 8.230 nan 0.000 0.447 57 S N -1.093 114.610 115.700 0.006 0.000 2.498 57 S HA 0.212 4.682 4.470 -0.000 0.000 0.317 57 S C 1.115 175.776 174.600 0.101 0.000 1.090 57 S CA -0.499 57.749 58.200 0.081 0.000 1.089 57 S CB 1.510 64.809 63.200 0.165 0.000 0.997 57 S HN 0.251 nan 8.310 nan 0.000 0.470 58 S N 3.052 118.804 115.700 0.086 0.000 2.453 58 S HA -0.093 4.377 4.470 -0.000 0.000 0.231 58 S C 1.495 176.155 174.600 0.100 0.000 1.005 58 S CA 1.183 59.432 58.200 0.081 0.000 0.949 58 S CB -0.917 62.316 63.200 0.055 0.000 0.774 58 S HN 0.869 nan 8.310 nan 0.000 0.510 59 T N -1.551 113.076 114.554 0.121 0.000 3.148 59 T HA 0.152 4.502 4.350 -0.000 0.000 0.253 59 T C 0.330 175.121 174.700 0.153 0.000 1.134 59 T CA -0.325 61.845 62.100 0.116 0.000 1.051 59 T CB -0.697 68.234 68.868 0.105 0.000 0.959 59 T HN 0.440 nan 8.240 nan 0.000 0.525 60 Y N 2.910 123.256 120.300 0.077 0.000 2.497 60 Y HA 0.363 4.912 4.550 -0.000 0.000 0.334 60 Y C 0.295 176.230 175.900 0.058 0.000 1.199 60 Y CA -0.975 57.176 58.100 0.085 0.000 1.425 60 Y CB 0.409 38.897 38.460 0.047 0.000 1.291 60 Y HN 0.008 nan 8.280 nan 0.000 0.562 61 R N 4.789 124.739 120.500 -0.916 0.000 2.507 61 R HA 0.135 4.475 4.340 -0.000 0.000 0.298 61 R C -1.233 174.525 176.300 -0.904 0.000 1.087 61 R CA -0.929 54.771 56.100 -0.667 0.000 0.917 61 R CB 0.917 31.049 30.300 -0.280 0.000 1.173 61 R HN 0.711 nan 8.270 nan 0.000 0.472 62 D N 2.145 122.140 120.400 -0.675 0.000 2.390 62 D HA -0.005 4.635 4.640 -0.000 0.000 0.236 62 D C 0.444 176.669 176.300 -0.125 0.000 1.189 62 D CA 0.457 54.328 54.000 -0.215 0.000 0.887 62 D CB 1.030 41.860 40.800 0.050 0.000 1.198 62 D HN 0.486 nan 8.370 nan 0.000 0.444 63 L N 2.661 123.868 121.223 -0.026 0.000 3.184 63 L HA 0.175 4.514 4.340 -0.000 0.000 0.283 63 L C 0.441 177.325 176.870 0.022 0.000 1.218 63 L CA -0.321 54.515 54.840 -0.007 0.000 1.028 63 L CB 0.253 42.318 42.059 0.009 0.000 1.400 63 L HN 0.334 nan 8.230 nan 0.000 0.591 64 R N 1.076 121.599 120.500 0.038 0.000 3.387 64 R HA -0.205 4.135 4.340 -0.000 0.000 0.254 64 R C -0.061 176.263 176.300 0.040 0.000 1.006 64 R CA 0.845 56.970 56.100 0.041 0.000 0.677 64 R CB -1.964 28.352 30.300 0.028 0.000 1.063 64 R HN 0.413 nan 8.270 nan 0.000 0.453 65 K N -0.244 120.188 120.400 0.052 0.000 2.469 65 K HA 0.584 4.904 4.320 -0.000 0.000 0.254 65 K C -0.151 176.489 176.600 0.066 0.000 0.939 65 K CA -0.125 56.192 56.287 0.050 0.000 0.812 65 K CB 2.226 34.753 32.500 0.046 0.000 1.301 65 K HN 0.185 nan 8.250 nan 0.000 0.433 66 G N 0.980 109.814 108.800 0.057 0.000 2.441 66 G HA2 0.616 4.576 3.960 -0.000 0.000 0.334 66 G HA3 0.616 4.576 3.960 -0.000 0.000 0.334 66 G C -1.206 173.730 174.900 0.060 0.000 1.161 66 G CA -0.550 44.591 45.100 0.069 0.000 0.935 66 G HN 0.334 nan 8.290 nan 0.000 0.488 67 V N 0.261 120.219 119.914 0.072 0.000 2.760 67 V HA 0.469 4.589 4.120 -0.000 0.000 0.309 67 V C -1.319 174.736 176.094 -0.066 0.000 1.077 67 V CA -1.076 61.225 62.300 0.002 0.000 0.910 67 V CB 1.504 33.322 31.823 -0.007 0.000 1.008 67 V HN 0.755 nan 8.190 nan 0.000 0.424 68 Y N 3.531 123.649 120.300 -0.304 0.000 2.341 68 Y HA 0.780 5.330 4.550 -0.000 0.000 0.337 68 Y C -0.741 174.725 175.900 -0.723 0.000 1.014 68 Y CA -0.923 56.906 58.100 -0.452 0.000 1.111 68 Y CB 1.966 40.258 38.460 -0.279 0.000 1.194 68 Y HN 0.435 nan 8.280 nan 0.000 0.462 69 V N 8.973 127.854 119.914 -1.721 0.000 2.419 69 V HA 0.400 4.519 4.120 -0.000 0.000 0.287 69 V C -2.581 172.479 176.094 -1.723 0.000 1.017 69 V CA -1.585 59.689 62.300 -1.710 0.000 0.844 69 V CB 1.544 32.246 31.823 -1.868 0.000 1.011 69 V HN 0.694 nan 8.190 nan 0.000 0.429 70 P HA 0.463 nan 4.420 nan 0.000 0.301 70 P C -1.207 175.694 177.300 -0.666 0.000 1.348 70 P CA -0.467 62.118 63.100 -0.858 0.000 0.826 70 P CB 0.931 32.315 31.700 -0.527 0.000 0.945 71 Y N 0.298 120.517 120.300 -0.134 0.000 2.340 71 Y HA 0.143 4.693 4.550 -0.000 0.000 0.327 71 Y C 2.585 178.492 175.900 0.012 0.000 1.321 71 Y CA 0.013 58.106 58.100 -0.011 0.000 1.433 71 Y CB 0.154 38.664 38.460 0.085 0.000 1.373 71 Y HN 0.359 nan 8.280 nan 0.000 0.538 72 T N -1.931 112.746 114.554 0.206 0.000 2.622 72 T HA -0.267 4.083 4.350 -0.000 0.000 0.266 72 T C 0.736 175.514 174.700 0.131 0.000 1.047 72 T CA 1.312 63.486 62.100 0.123 0.000 1.159 72 T CB -0.326 68.594 68.868 0.087 0.000 0.863 72 T HN 0.594 nan 8.240 nan 0.000 0.422 73 Q N 1.678 121.574 119.800 0.160 0.000 2.465 73 Q HA 0.513 4.852 4.340 -0.000 0.000 0.237 73 Q C -0.129 176.020 176.000 0.248 0.000 1.051 73 Q CA 0.021 55.919 55.803 0.158 0.000 0.874 73 Q CB 0.165 28.969 28.738 0.110 0.000 1.207 73 Q HN 0.833 nan 8.270 nan 0.000 0.508 74 G N 2.303 111.260 108.800 0.261 0.000 2.347 74 G HA2 0.159 4.119 3.960 -0.000 0.000 0.477 74 G HA3 0.159 4.119 3.960 -0.000 0.000 0.477 74 G C -1.999 173.053 174.900 0.253 0.000 1.349 74 G CA -0.593 44.717 45.100 0.350 0.000 1.000 74 G HN 0.562 nan 8.290 nan 0.000 0.605 75 K N -0.862 119.661 120.400 0.205 0.000 2.557 75 K HA 0.741 5.061 4.320 -0.000 0.000 0.257 75 K C -0.840 175.722 176.600 -0.064 0.000 0.933 75 K CA -0.751 55.495 56.287 -0.069 0.000 0.820 75 K CB 1.261 33.766 32.500 0.008 0.000 1.330 75 K HN 1.644 nan 8.250 nan 0.000 0.432 76 W N 1.638 122.695 121.300 -0.405 0.000 3.083 76 W HA 0.686 5.346 4.660 -0.000 0.000 0.333 76 W C -1.464 174.930 176.519 -0.209 0.000 1.217 76 W CA -0.605 56.530 57.345 -0.351 0.000 1.170 76 W CB 1.166 30.242 29.460 -0.640 0.000 1.437 76 W HN 0.859 nan 8.180 nan 0.000 0.557 77 E N 0.891 121.239 120.200 0.246 0.000 2.238 77 E HA 0.660 5.010 4.350 -0.000 0.000 0.267 77 E C -0.618 176.197 176.600 0.358 0.000 0.887 77 E CA -0.542 55.983 56.400 0.209 0.000 0.769 77 E CB 2.298 32.101 29.700 0.173 0.000 1.187 77 E HN 0.781 nan 8.360 nan 0.000 0.416 78 G N 2.375 111.372 108.800 0.329 0.000 2.687 78 G HA2 0.406 4.366 3.960 -0.000 0.000 0.291 78 G HA3 0.406 4.366 3.960 -0.000 0.000 0.291 78 G C -1.427 173.605 174.900 0.221 0.000 1.420 78 G CA -0.661 44.643 45.100 0.340 0.000 0.796 78 G HN 0.494 nan 8.290 nan 0.000 0.485 79 E N -0.109 120.205 120.200 0.189 0.000 2.218 79 E HA 0.415 4.765 4.350 -0.000 0.000 0.263 79 E C -0.750 175.957 176.600 0.178 0.000 0.879 79 E CA -0.493 56.000 56.400 0.155 0.000 0.762 79 E CB 2.608 32.384 29.700 0.127 0.000 1.166 79 E HN 0.257 nan 8.360 nan 0.000 0.415 80 L N 2.556 123.873 121.223 0.157 0.000 2.331 80 L HA 0.580 4.919 4.340 -0.000 0.000 0.278 80 L C 0.678 177.637 176.870 0.150 0.000 1.106 80 L CA 0.047 54.979 54.840 0.152 0.000 0.824 80 L CB 0.954 43.083 42.059 0.117 0.000 1.142 80 L HN 0.657 nan 8.230 nan 0.000 0.443 81 G N 0.950 109.849 108.800 0.166 0.000 2.870 81 G HA2 0.748 4.707 3.960 -0.000 0.000 0.299 81 G HA3 0.748 4.707 3.960 -0.000 0.000 0.299 81 G C -1.107 173.828 174.900 0.058 0.000 1.324 81 G CA 0.010 45.150 45.100 0.068 0.000 0.808 81 G HN 0.543 nan 8.290 nan 0.000 0.535 82 T N -2.673 111.858 114.554 -0.038 0.000 2.816 82 T HA 0.743 5.092 4.350 -0.000 0.000 0.299 82 T C -1.665 173.086 174.700 0.085 0.000 1.230 82 T CA -0.562 61.569 62.100 0.051 0.000 1.007 82 T CB 2.859 71.738 68.868 0.018 0.000 1.289 82 T HN 0.780 nan 8.240 nan 0.000 0.508 83 D N -0.747 119.736 120.400 0.138 0.000 2.913 83 D HA 0.246 4.886 4.640 -0.000 0.000 0.293 83 D C -1.431 174.956 176.300 0.146 0.000 1.238 83 D CA -0.596 53.513 54.000 0.182 0.000 0.738 83 D CB 1.091 42.085 40.800 0.324 0.000 1.254 83 D HN 0.749 nan 8.370 nan 0.000 0.429 84 L N 0.909 122.211 121.223 0.132 0.000 2.276 84 L HA 0.611 4.951 4.340 -0.000 0.000 0.286 84 L C -0.145 176.795 176.870 0.116 0.000 1.061 84 L CA -0.867 54.037 54.840 0.107 0.000 0.807 84 L CB 1.384 43.490 42.059 0.078 0.000 1.177 84 L HN 0.075 nan 8.230 nan 0.000 0.429 85 V N 2.164 122.161 119.914 0.139 0.000 2.407 85 V HA 0.399 4.518 4.120 -0.000 0.000 0.291 85 V C 0.060 176.232 176.094 0.131 0.000 1.018 85 V CA -0.321 62.077 62.300 0.164 0.000 0.842 85 V CB 1.606 33.609 31.823 0.300 0.000 0.996 85 V HN 0.882 nan 8.190 nan 0.000 0.426 86 S N 5.524 121.270 115.700 0.075 0.000 2.704 86 S HA 0.801 5.271 4.470 -0.000 0.000 0.305 86 S C -0.724 173.892 174.600 0.026 0.000 1.107 86 S CA -0.682 57.548 58.200 0.051 0.000 0.993 86 S CB 1.521 64.736 63.200 0.024 0.000 1.110 86 S HN 0.551 nan 8.310 nan 0.000 0.534 87 I N 3.001 123.582 120.570 0.018 0.000 2.521 87 I HA 0.301 4.471 4.170 -0.000 0.000 0.277 87 I C -2.024 174.075 176.117 -0.031 0.000 1.054 87 I CA -2.100 59.197 61.300 -0.005 0.000 1.117 87 I CB 1.919 39.932 38.000 0.023 0.000 1.217 87 I HN 0.473 nan 8.210 nan 0.000 0.469 88 P HA -0.209 nan 4.420 nan 0.000 0.216 88 P C 0.688 177.840 177.300 -0.247 0.000 1.167 88 P CA 1.718 64.676 63.100 -0.237 0.000 0.914 88 P CB 0.029 31.486 31.700 -0.406 0.000 0.793 89 H N -1.300 117.795 119.070 0.042 0.000 2.655 89 H HA 0.455 5.011 4.556 -0.000 0.000 0.309 89 H C 1.150 176.511 175.328 0.056 0.000 1.180 89 H CA 0.213 56.291 56.048 0.050 0.000 1.087 89 H CB -0.442 29.347 29.762 0.045 0.000 1.494 89 H HN 0.154 nan 8.280 nan 0.000 0.515 90 G N 1.059 109.934 108.800 0.124 0.000 3.211 90 G HA2 0.345 4.305 3.960 -0.000 0.000 0.167 90 G HA3 0.345 4.305 3.960 -0.000 0.000 0.167 90 G C -2.486 172.484 174.900 0.117 0.000 1.212 90 G CA -1.169 43.999 45.100 0.114 0.000 0.928 90 G HN -0.001 nan 8.290 nan 0.000 0.607 91 P HA 0.199 nan 4.420 nan 0.000 0.274 91 P C -0.821 176.523 177.300 0.072 0.000 1.246 91 P CA -0.359 62.806 63.100 0.108 0.000 0.795 91 P CB 0.719 32.474 31.700 0.091 0.000 1.006 92 N N 0.029 118.768 118.700 0.065 0.000 3.322 92 N HA 0.280 5.020 4.740 -0.000 0.000 0.290 92 N C -0.251 175.276 175.510 0.027 0.000 1.297 92 N CA -0.358 52.717 53.050 0.042 0.000 1.167 92 N CB -0.491 38.022 38.487 0.042 0.000 1.434 92 N HN 0.171 nan 8.380 nan 0.000 0.526 93 V N -2.113 117.812 119.914 0.018 0.000 3.165 93 V HA 0.771 4.891 4.120 -0.000 0.000 0.307 93 V C -0.174 175.922 176.094 0.002 0.000 1.281 93 V CA -0.675 61.625 62.300 -0.001 0.000 1.056 93 V CB 1.848 33.655 31.823 -0.027 0.000 1.178 93 V HN 0.094 nan 8.190 nan 0.000 0.475 94 T N 0.557 115.106 114.554 -0.010 0.000 3.767 94 T HA 0.566 4.916 4.350 -0.000 0.000 0.360 94 T C -1.045 173.648 174.700 -0.013 0.000 1.181 94 T CA 0.057 62.161 62.100 0.007 0.000 1.110 94 T CB 1.226 70.102 68.868 0.012 0.000 1.201 94 T HN 1.601 nan 8.240 nan 0.000 0.474 95 V N 2.453 122.366 119.914 -0.001 0.000 3.074 95 V HA 0.840 4.960 4.120 -0.000 0.000 0.314 95 V C -0.767 175.339 176.094 0.020 0.000 1.117 95 V CA -1.488 60.789 62.300 -0.039 0.000 1.014 95 V CB 2.226 33.955 31.823 -0.157 0.000 1.057 95 V HN 0.858 nan 8.190 nan 0.000 0.438 96 R N 3.098 123.599 120.500 0.003 0.000 2.280 96 R HA 0.772 5.112 4.340 -0.000 0.000 0.326 96 R C -0.299 176.037 176.300 0.060 0.000 1.080 96 R CA 0.269 56.394 56.100 0.042 0.000 1.002 96 R CB 0.469 30.782 30.300 0.021 0.000 1.136 96 R HN 1.152 nan 8.270 nan 0.000 0.509 97 A N 3.669 126.576 122.820 0.145 0.000 2.294 97 A HA 0.451 4.771 4.320 -0.000 0.000 0.330 97 A C -0.700 177.024 177.584 0.234 0.000 1.133 97 A CA -0.993 51.178 52.037 0.225 0.000 0.836 97 A CB 0.826 20.103 19.000 0.462 0.000 1.190 97 A HN 0.747 nan 8.150 nan 0.000 0.492 98 N N 0.093 118.935 118.700 0.237 0.000 2.508 98 N HA 0.467 5.207 4.740 -0.000 0.000 0.264 98 N C -0.873 174.771 175.510 0.225 0.000 1.216 98 N CA 0.419 53.589 53.050 0.201 0.000 0.943 98 N CB 0.686 39.279 38.487 0.176 0.000 1.113 98 N HN 0.512 nan 8.380 nan 0.000 0.447 99 I N 0.643 121.282 120.570 0.114 0.000 2.548 99 I HA 0.320 4.490 4.170 -0.000 0.000 0.287 99 I C -0.560 175.570 176.117 0.022 0.000 1.103 99 I CA -0.959 60.296 61.300 -0.075 0.000 1.049 99 I CB 1.907 39.823 38.000 -0.139 0.000 1.232 99 I HN 0.393 nan 8.210 nan 0.000 0.429 100 A N 4.846 127.643 122.820 -0.038 0.000 2.289 100 A HA 0.801 5.121 4.320 -0.000 0.000 0.298 100 A C 0.133 177.693 177.584 -0.040 0.000 1.208 100 A CA -0.392 51.681 52.037 0.060 0.000 0.845 100 A CB 0.767 19.884 19.000 0.196 0.000 1.125 100 A HN 0.798 nan 8.150 nan 0.000 0.517 101 A N 3.712 126.583 122.820 0.085 0.000 2.294 101 A HA 0.558 4.878 4.320 -0.000 0.000 0.316 101 A C -0.018 177.604 177.584 0.064 0.000 1.359 101 A CA -0.377 51.712 52.037 0.086 0.000 0.956 101 A CB -0.370 18.697 19.000 0.111 0.000 1.155 101 A HN 0.763 nan 8.150 nan 0.000 0.544 102 I N 3.367 123.938 120.570 0.002 0.000 2.505 102 I HA 0.055 4.224 4.170 -0.000 0.000 0.287 102 I C 1.536 177.724 176.117 0.119 0.000 1.104 102 I CA 0.448 61.778 61.300 0.050 0.000 1.387 102 I CB 1.023 39.006 38.000 -0.028 0.000 1.404 102 I HN 0.828 nan 8.210 nan 0.000 0.528 103 T N 1.073 115.710 114.554 0.138 0.000 2.985 103 T HA 0.251 4.601 4.350 -0.000 0.000 0.254 103 T C 0.391 175.158 174.700 0.112 0.000 1.021 103 T CA -0.192 61.965 62.100 0.096 0.000 0.957 103 T CB 0.400 69.311 68.868 0.073 0.000 1.047 103 T HN 0.594 nan 8.240 nan 0.000 0.511 104 E N 1.043 121.339 120.200 0.160 0.000 2.347 104 E HA 0.468 4.818 4.350 -0.000 0.000 0.285 104 E C -1.679 175.038 176.600 0.194 0.000 0.925 104 E CA -0.427 56.068 56.400 0.158 0.000 0.779 104 E CB 2.147 31.916 29.700 0.116 0.000 1.233 104 E HN 0.380 nan 8.360 nan 0.000 0.414 105 S N 2.417 118.241 115.700 0.206 0.000 2.546 105 S HA 0.600 5.070 4.470 -0.000 0.000 0.274 105 S C -1.277 173.437 174.600 0.189 0.000 1.121 105 S CA -0.961 57.352 58.200 0.189 0.000 0.887 105 S CB 2.086 65.380 63.200 0.157 0.000 1.094 105 S HN 0.492 nan 8.310 nan 0.000 0.474 106 D N 0.483 120.992 120.400 0.182 0.000 2.620 106 D HA 0.449 5.089 4.640 -0.000 0.000 0.252 106 D C -0.686 175.741 176.300 0.211 0.000 1.207 106 D CA -0.470 53.636 54.000 0.178 0.000 0.884 106 D CB 0.795 41.679 40.800 0.140 0.000 1.262 106 D HN 0.712 nan 8.370 nan 0.000 0.552 107 K N 2.215 122.747 120.400 0.221 0.000 3.129 107 K HA -0.247 4.073 4.320 -0.000 0.000 0.273 107 K C -0.114 176.640 176.600 0.257 0.000 1.123 107 K CA 0.611 57.032 56.287 0.225 0.000 0.800 107 K CB -1.221 31.388 32.500 0.182 0.000 1.238 107 K HN 0.503 nan 8.250 nan 0.000 0.492 108 F N 0.265 120.255 119.950 0.067 0.000 2.387 108 F HA 0.279 4.805 4.527 -0.000 0.000 0.278 108 F C 0.630 176.423 175.800 -0.011 0.000 1.010 108 F CA 0.006 58.001 58.000 -0.007 0.000 1.236 108 F CB 0.240 39.149 39.000 -0.153 0.000 1.137 108 F HN -0.100 nan 8.300 nan 0.000 0.604 109 F N 2.208 122.113 119.950 -0.075 0.000 2.496 109 F HA 0.245 4.772 4.527 -0.000 0.000 0.344 109 F C 0.282 176.012 175.800 -0.116 0.000 1.155 109 F CA -0.298 57.500 58.000 -0.337 0.000 1.302 109 F CB -0.074 38.713 39.000 -0.354 0.000 1.159 109 F HN -0.200 nan 8.300 nan 0.000 0.595 110 I N 2.253 122.754 120.570 -0.116 0.000 2.404 110 I HA 0.190 4.359 4.170 -0.000 0.000 0.293 110 I C -0.206 175.727 176.117 -0.306 0.000 0.992 110 I CA -1.048 60.180 61.300 -0.120 0.000 1.149 110 I CB 1.516 39.448 38.000 -0.113 0.000 1.315 110 I HN 0.432 nan 8.210 nan 0.000 0.446 111 N N 4.102 122.432 118.700 -0.617 0.000 2.452 111 N HA 0.248 4.988 4.740 -0.000 0.000 0.266 111 N C 0.759 175.978 175.510 -0.484 0.000 1.175 111 N CA 1.255 53.686 53.050 -1.033 0.000 0.945 111 N CB 0.970 38.607 38.487 -1.416 0.000 1.063 111 N HN 0.891 nan 8.380 nan 0.000 0.472 112 G N 1.413 109.996 108.800 -0.362 0.000 2.176 112 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.232 112 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.232 112 G C 0.219 175.057 174.900 -0.104 0.000 0.986 112 G CA 0.462 45.449 45.100 -0.189 0.000 0.643 112 G HN 0.962 nan 8.290 nan 0.000 0.522 113 S N -0.875 114.724 115.700 -0.168 0.000 2.713 113 S HA 0.684 5.154 4.470 -0.000 0.000 0.277 113 S C 0.496 175.040 174.600 -0.094 0.000 1.168 113 S CA 0.300 58.405 58.200 -0.159 0.000 0.994 113 S CB 1.867 64.825 63.200 -0.404 0.000 1.054 113 S HN 0.400 nan 8.310 nan 0.000 0.555 114 N N 0.306 118.906 118.700 -0.166 0.000 2.299 114 N HA 0.266 5.006 4.740 -0.000 0.000 0.246 114 N C -0.964 174.228 175.510 -0.531 0.000 1.254 114 N CA -0.667 52.194 53.050 -0.315 0.000 0.879 114 N CB 0.441 38.765 38.487 -0.273 0.000 1.214 114 N HN 0.741 nan 8.380 nan 0.000 0.510 115 W N -0.224 120.862 121.300 -0.356 0.000 2.706 115 W HA 0.592 5.251 4.660 -0.000 0.000 0.346 115 W C -0.540 175.924 176.519 -0.091 0.000 1.071 115 W CA -0.636 56.520 57.345 -0.314 0.000 1.206 115 W CB 0.664 30.006 29.460 -0.196 0.000 1.413 115 W HN -0.117 nan 8.180 nan 0.000 0.542 116 E N 1.122 121.463 120.200 0.236 0.000 2.641 116 E HA 0.324 4.674 4.350 -0.000 0.000 0.224 116 E C 0.601 177.461 176.600 0.433 0.000 0.951 116 E CA 0.065 56.545 56.400 0.134 0.000 1.102 116 E CB 1.511 31.222 29.700 0.019 0.000 1.091 116 E HN 0.631 nan 8.360 nan 0.000 0.507 117 G N 0.150 109.285 108.800 0.558 0.000 2.749 117 G HA2 0.687 4.646 3.960 -0.000 0.000 0.300 117 G HA3 0.687 4.646 3.960 -0.000 0.000 0.300 117 G C -1.701 173.369 174.900 0.283 0.000 1.352 117 G CA -0.686 44.662 45.100 0.413 0.000 0.789 117 G HN 0.056 nan 8.290 nan 0.000 0.509 118 I N -0.089 120.584 120.570 0.172 0.000 2.586 118 I HA 0.500 4.670 4.170 -0.000 0.000 0.288 118 I C -1.754 174.440 176.117 0.128 0.000 1.147 118 I CA -0.961 60.364 61.300 0.041 0.000 1.047 118 I CB 1.926 39.979 38.000 0.089 0.000 1.244 118 I HN 0.446 nan 8.210 nan 0.000 0.429 119 L N 8.432 129.642 121.223 -0.021 0.000 2.272 119 L HA 0.659 4.998 4.340 -0.000 0.000 0.284 119 L C 0.109 176.916 176.870 -0.104 0.000 1.045 119 L CA 0.008 54.775 54.840 -0.121 0.000 0.842 119 L CB 0.888 42.721 42.059 -0.377 0.000 1.224 119 L HN 0.624 nan 8.230 nan 0.000 0.430 120 G N 5.141 113.950 108.800 0.016 0.000 2.349 120 G HA2 0.427 4.387 3.960 -0.000 0.000 0.281 120 G HA3 0.427 4.387 3.960 -0.000 0.000 0.281 120 G C 0.243 175.125 174.900 -0.029 0.000 1.182 120 G CA -0.403 44.708 45.100 0.018 0.000 0.899 120 G HN 0.713 nan 8.290 nan 0.000 0.455 121 L N 1.967 123.133 121.223 -0.095 0.000 2.857 121 L HA 0.331 4.671 4.340 -0.000 0.000 0.249 121 L C 1.590 178.415 176.870 -0.075 0.000 1.172 121 L CA -0.132 54.619 54.840 -0.148 0.000 0.980 121 L CB 0.125 41.902 42.059 -0.470 0.000 1.299 121 L HN 0.605 nan 8.230 nan 0.000 0.535 122 A N -1.118 121.613 122.820 -0.148 0.000 2.717 122 A HA 0.601 4.921 4.320 -0.000 0.000 0.262 122 A C -1.008 176.329 177.584 -0.413 0.000 1.483 122 A CA -0.155 51.593 52.037 -0.482 0.000 0.889 122 A CB 0.217 19.024 19.000 -0.321 0.000 1.604 122 A HN 0.062 nan 8.150 nan 0.000 0.523 123 Y N -1.991 118.204 120.300 -0.174 0.000 2.453 123 Y HA 0.490 5.039 4.550 -0.000 0.000 0.326 123 Y C 1.530 177.424 175.900 -0.010 0.000 1.186 123 Y CA 0.083 58.149 58.100 -0.057 0.000 1.200 123 Y CB 1.444 39.880 38.460 -0.039 0.000 1.247 123 Y HN 0.668 nan 8.280 nan 0.000 0.482 124 A N 0.824 123.768 122.820 0.207 0.000 1.986 124 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 124 A C 1.912 179.560 177.584 0.107 0.000 1.171 124 A CA 2.090 54.204 52.037 0.129 0.000 0.640 124 A CB -0.662 18.409 19.000 0.119 0.000 0.811 124 A HN 0.897 nan 8.150 nan 0.000 0.451 125 E N 0.148 120.432 120.200 0.141 0.000 2.273 125 E HA -0.179 4.171 4.350 -0.000 0.000 0.198 125 E C 1.390 178.067 176.600 0.128 0.000 1.002 125 E CA 1.592 58.079 56.400 0.145 0.000 0.828 125 E CB -0.354 29.473 29.700 0.212 0.000 0.747 125 E HN 0.845 nan 8.360 nan 0.000 0.491 126 I N -4.006 116.593 120.570 0.048 0.000 4.240 126 I HA 0.474 4.644 4.170 -0.000 0.000 0.331 126 I C 0.481 176.560 176.117 -0.064 0.000 1.381 126 I CA -0.450 60.816 61.300 -0.057 0.000 1.136 126 I CB 0.340 38.145 38.000 -0.325 0.000 1.137 126 I HN -0.050 nan 8.210 nan 0.000 0.411 127 A N 2.880 125.696 122.820 -0.007 0.000 2.524 127 A HA 0.369 4.689 4.320 -0.000 0.000 0.250 127 A C 0.256 177.836 177.584 -0.007 0.000 1.078 127 A CA -0.025 52.021 52.037 0.014 0.000 0.761 127 A CB 0.087 19.122 19.000 0.058 0.000 1.012 127 A HN 0.323 nan 8.150 nan 0.000 0.500 128 R N 3.806 124.280 120.500 -0.043 0.000 2.500 128 R HA 0.301 4.640 4.340 -0.000 0.000 0.275 128 R C -1.953 174.336 176.300 -0.017 0.000 1.051 128 R CA -2.447 53.609 56.100 -0.072 0.000 1.088 128 R CB -0.028 30.151 30.300 -0.202 0.000 1.063 128 R HN 0.547 nan 8.270 nan 0.000 0.511 129 P HA -0.059 nan 4.420 nan 0.000 0.227 129 P C -0.284 177.012 177.300 -0.007 0.000 1.161 129 P CA 1.080 64.165 63.100 -0.024 0.000 0.788 129 P CB 0.507 32.204 31.700 -0.005 0.000 0.822 130 D N -0.635 119.771 120.400 0.010 0.000 2.643 130 D HA 0.002 4.642 4.640 -0.000 0.000 0.283 130 D C -0.555 175.765 176.300 0.034 0.000 1.242 130 D CA -0.408 53.604 54.000 0.021 0.000 0.863 130 D CB 0.485 41.297 40.800 0.021 0.000 1.382 130 D HN -0.204 nan 8.370 nan 0.000 0.444 131 D N -0.742 119.681 120.400 0.039 0.000 2.348 131 D HA -0.116 4.524 4.640 -0.000 0.000 0.216 131 D C 1.702 178.033 176.300 0.051 0.000 0.970 131 D CA 1.000 55.030 54.000 0.051 0.000 0.889 131 D CB -0.041 40.791 40.800 0.053 0.000 0.912 131 D HN 0.297 nan 8.370 nan 0.000 0.524 132 S N -0.017 115.708 115.700 0.042 0.000 2.442 132 S HA -0.143 4.327 4.470 -0.000 0.000 0.236 132 S C 0.896 175.527 174.600 0.050 0.000 1.007 132 S CA -0.087 58.137 58.200 0.041 0.000 0.965 132 S CB -0.502 62.718 63.200 0.032 0.000 0.773 132 S HN 0.278 nan 8.310 nan 0.000 0.504 133 L N 3.357 124.614 121.223 0.058 0.000 2.407 133 L HA 0.262 4.601 4.340 -0.000 0.000 0.282 133 L C 0.189 177.112 176.870 0.089 0.000 1.110 133 L CA -0.165 54.719 54.840 0.073 0.000 0.863 133 L CB 0.215 42.320 42.059 0.078 0.000 1.207 133 L HN 0.345 nan 8.230 nan 0.000 0.454 134 E N 7.228 127.482 120.200 0.089 0.000 2.129 134 E HA 0.301 4.650 4.350 -0.000 0.000 0.283 134 E C -2.358 174.314 176.600 0.120 0.000 1.080 134 E CA -1.799 54.655 56.400 0.090 0.000 0.867 134 E CB 0.569 30.307 29.700 0.063 0.000 1.056 134 E HN 0.391 nan 8.360 nan 0.000 0.404 135 P HA -0.093 nan 4.420 nan 0.000 0.267 135 P C -0.100 177.314 177.300 0.190 0.000 1.201 135 P CA -0.124 63.079 63.100 0.171 0.000 0.775 135 P CB 0.344 32.129 31.700 0.143 0.000 0.854 136 F N 2.313 122.305 119.950 0.070 0.000 2.065 136 F HA -0.243 4.283 4.527 -0.000 0.000 0.298 136 F C 2.019 177.816 175.800 -0.005 0.000 1.112 136 F CA 1.504 59.505 58.000 0.003 0.000 1.212 136 F CB -0.789 38.127 39.000 -0.141 0.000 0.975 136 F HN 0.208 nan 8.300 nan 0.000 0.476 137 F N 1.509 121.440 119.950 -0.032 0.000 2.202 137 F HA -0.196 4.331 4.527 -0.000 0.000 0.301 137 F C 1.982 177.701 175.800 -0.134 0.000 1.082 137 F CA 2.058 59.968 58.000 -0.149 0.000 1.313 137 F CB -0.608 38.401 39.000 0.015 0.000 1.024 137 F HN 0.038 nan 8.300 nan 0.000 0.495 138 D N -0.733 119.719 120.400 0.085 0.000 2.097 138 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 138 D C 2.424 178.663 176.300 -0.101 0.000 0.989 138 D CA 1.701 55.728 54.000 0.044 0.000 0.827 138 D CB -0.631 40.230 40.800 0.101 0.000 0.966 138 D HN 0.151 nan 8.370 nan 0.000 0.456 139 S N 0.297 115.904 115.700 -0.156 0.000 2.383 139 S HA -0.131 4.338 4.470 -0.000 0.000 0.229 139 S C 1.795 176.188 174.600 -0.344 0.000 1.030 139 S CA 0.438 58.514 58.200 -0.207 0.000 1.002 139 S CB -0.295 62.798 63.200 -0.178 0.000 0.829 139 S HN 0.196 nan 8.310 nan 0.000 0.467 140 L N 1.694 122.561 121.223 -0.593 0.000 2.046 140 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 140 L C 2.104 178.700 176.870 -0.458 0.000 1.077 140 L CA 1.597 56.031 54.840 -0.676 0.000 0.747 140 L CB -0.566 40.861 42.059 -1.054 0.000 0.896 140 L HN 0.131 nan 8.230 nan 0.000 0.432 141 V N -0.425 119.242 119.914 -0.411 0.000 2.346 141 V HA -0.189 3.931 4.120 -0.000 0.000 0.244 141 V C 2.534 178.545 176.094 -0.139 0.000 1.037 141 V CA 1.705 63.864 62.300 -0.236 0.000 1.029 141 V CB -0.565 31.181 31.823 -0.128 0.000 0.663 141 V HN 0.463 nan 8.190 nan 0.000 0.454 142 K N -0.295 120.033 120.400 -0.121 0.000 2.360 142 K HA -0.192 4.128 4.320 -0.000 0.000 0.201 142 K C 1.745 178.281 176.600 -0.107 0.000 1.046 142 K CA 1.444 57.683 56.287 -0.080 0.000 0.940 142 K CB 0.071 32.537 32.500 -0.057 0.000 0.748 142 K HN 0.569 nan 8.250 nan 0.000 0.465 143 Q N -0.802 118.905 119.800 -0.155 0.000 2.140 143 Q HA 0.061 4.401 4.340 -0.000 0.000 0.227 143 Q C -0.070 175.801 176.000 -0.214 0.000 0.798 143 Q CA 0.041 55.747 55.803 -0.162 0.000 0.987 143 Q CB 1.713 30.366 28.738 -0.142 0.000 1.161 143 Q HN 0.258 nan 8.270 nan 0.000 0.480 144 T N -3.205 111.208 114.554 -0.235 0.000 2.762 144 T HA 0.326 4.676 4.350 -0.000 0.000 0.272 144 T C 0.297 174.824 174.700 -0.288 0.000 0.982 144 T CA -0.680 61.263 62.100 -0.261 0.000 1.013 144 T CB 1.037 69.801 68.868 -0.174 0.000 1.309 144 T HN -0.008 nan 8.240 nan 0.000 0.572 145 H N -0.961 118.090 119.070 -0.032 0.000 2.594 145 H HA 0.397 4.953 4.556 -0.000 0.000 0.279 145 H C 0.226 175.555 175.328 0.003 0.000 1.042 145 H CA -0.301 55.741 56.048 -0.010 0.000 1.177 145 H CB 0.041 29.805 29.762 0.004 0.000 1.524 145 H HN 0.268 nan 8.280 nan 0.000 0.537 146 V N 4.759 124.710 119.914 0.063 0.000 2.539 146 V HA -0.041 4.079 4.120 -0.000 0.000 0.300 146 V C -1.758 174.374 176.094 0.063 0.000 1.019 146 V CA -0.710 61.619 62.300 0.050 0.000 1.160 146 V CB 0.284 32.079 31.823 -0.047 0.000 0.901 146 V HN 0.138 nan 8.190 nan 0.000 0.481 147 P HA 0.008 nan 4.420 nan 0.000 0.267 147 P C -0.001 177.410 177.300 0.185 0.000 1.200 147 P CA -0.150 63.032 63.100 0.137 0.000 0.772 147 P CB 0.294 32.082 31.700 0.148 0.000 0.855 148 N N 2.751 121.569 118.700 0.197 0.000 3.103 148 N HA 0.181 4.921 4.740 -0.000 0.000 0.305 148 N C -0.646 175.062 175.510 0.329 0.000 1.232 148 N CA 0.141 53.379 53.050 0.314 0.000 1.190 148 N CB -1.272 37.361 38.487 0.243 0.000 1.461 148 N HN 0.363 nan 8.380 nan 0.000 0.538 149 L N -0.635 120.827 121.223 0.398 0.000 2.794 149 L HA 0.728 5.067 4.340 -0.000 0.000 0.261 149 L C -1.726 175.288 176.870 0.239 0.000 0.989 149 L CA -1.093 53.852 54.840 0.176 0.000 0.900 149 L CB 1.204 43.292 42.059 0.050 0.000 1.473 149 L HN 0.013 nan 8.230 nan 0.000 0.414 150 F N 0.049 119.955 119.950 -0.074 0.000 2.643 150 F HA 0.956 5.483 4.527 -0.000 0.000 0.314 150 F C -0.778 174.951 175.800 -0.117 0.000 1.096 150 F CA -0.209 57.725 58.000 -0.110 0.000 0.953 150 F CB 1.502 40.364 39.000 -0.230 0.000 1.345 150 F HN 0.744 nan 8.300 nan 0.000 0.468 151 S N 1.321 117.025 115.700 0.007 0.000 2.595 151 S HA 0.880 5.350 4.470 -0.000 0.000 0.281 151 S C -1.648 172.944 174.600 -0.013 0.000 1.117 151 S CA -0.874 57.227 58.200 -0.165 0.000 0.873 151 S CB 1.999 64.943 63.200 -0.427 0.000 1.108 151 S HN 0.884 nan 8.310 nan 0.000 0.477 152 L N 1.384 122.541 121.223 -0.109 0.000 2.409 152 L HA 0.554 4.894 4.340 -0.000 0.000 0.272 152 L C -0.692 176.186 176.870 0.014 0.000 0.980 152 L CA -0.356 54.478 54.840 -0.010 0.000 0.826 152 L CB 2.156 44.231 42.059 0.026 0.000 1.268 152 L HN 0.801 nan 8.230 nan 0.000 0.407 153 Q N 4.985 124.847 119.800 0.104 0.000 2.454 153 Q HA 0.461 4.801 4.340 -0.000 0.000 0.255 153 Q C -1.615 174.353 176.000 -0.053 0.000 1.034 153 Q CA -0.545 55.341 55.803 0.138 0.000 0.736 153 Q CB 1.232 30.096 28.738 0.210 0.000 1.210 153 Q HN 0.620 nan 8.270 nan 0.000 0.500 154 L N 3.563 124.691 121.223 -0.158 0.000 2.265 154 L HA 0.330 4.669 4.340 -0.000 0.000 0.288 154 L C 0.395 177.211 176.870 -0.091 0.000 1.058 154 L CA -0.611 53.996 54.840 -0.389 0.000 0.809 154 L CB 0.829 42.517 42.059 -0.618 0.000 1.179 154 L HN 0.784 nan 8.230 nan 0.000 0.429 155 c N 1.115 119.740 118.600 0.042 0.000 4.154 155 c HA 0.486 5.056 4.570 -0.000 0.000 0.218 155 c C 1.263 175.453 174.090 0.166 0.000 2.068 155 c CA 0.472 56.863 56.329 0.104 0.000 1.321 155 c CB -0.364 42.192 42.510 0.077 0.000 1.644 155 c HN 1.071 nan 8.230 nan 0.000 0.686 156 G N 0.943 109.847 108.800 0.173 0.000 2.643 156 G HA2 0.409 4.369 3.960 -0.000 0.000 0.280 156 G HA3 0.409 4.369 3.960 -0.000 0.000 0.280 156 G C 0.161 175.095 174.900 0.056 0.000 1.120 156 G CA 0.150 45.314 45.100 0.107 0.000 1.165 156 G HN 2.087 nan 8.290 nan 0.000 0.540 169 S N -0.146 115.540 115.700 -0.023 0.000 2.608 169 S HA 0.835 5.304 4.470 -0.000 0.000 0.291 169 S C 0.282 174.848 174.600 -0.056 0.000 1.146 169 S CA 0.011 58.185 58.200 -0.044 0.000 1.043 169 S CB 1.212 64.393 63.200 -0.032 0.000 1.037 169 S HN 2.193 nan 8.310 nan 0.000 0.520 170 V N -0.875 118.974 119.914 -0.108 0.000 3.234 170 V HA 1.065 5.184 4.120 -0.000 0.000 0.317 170 V C 0.356 176.428 176.094 -0.038 0.000 1.147 170 V CA -0.159 62.095 62.300 -0.077 0.000 1.037 170 V CB 1.021 32.732 31.823 -0.186 0.000 1.148 170 V HN 1.350 nan 8.190 nan 0.000 0.455 171 G N -1.806 107.056 108.800 0.104 0.000 2.645 171 G HA2 0.890 4.849 3.960 -0.000 0.000 0.292 171 G HA3 0.890 4.849 3.960 -0.000 0.000 0.292 171 G C -0.477 174.523 174.900 0.166 0.000 1.415 171 G CA -0.091 45.072 45.100 0.105 0.000 0.785 171 G HN 1.919 nan 8.290 nan 0.000 0.483 172 G N -1.554 107.286 108.800 0.068 0.000 2.317 172 G HA2 0.589 4.548 3.960 -0.000 0.000 0.293 172 G HA3 0.589 4.548 3.960 -0.000 0.000 0.293 172 G C -1.340 173.560 174.900 0.000 0.000 1.287 172 G CA 0.275 45.383 45.100 0.012 0.000 0.850 172 G HN 1.430 nan 8.290 nan 0.000 0.515 173 S N -0.190 115.508 115.700 -0.002 0.000 2.614 173 S HA 0.585 5.055 4.470 -0.000 0.000 0.288 173 S C -0.448 174.168 174.600 0.028 0.000 1.137 173 S CA -0.470 57.745 58.200 0.025 0.000 0.992 173 S CB 1.626 64.858 63.200 0.053 0.000 1.026 173 S HN 0.827 nan 8.310 nan 0.000 0.486 174 M N 5.062 124.670 119.600 0.014 0.000 2.103 174 M HA 0.418 4.898 4.480 -0.000 0.000 0.350 174 M C -1.392 174.924 176.300 0.027 0.000 1.100 174 M CA -0.725 54.583 55.300 0.013 0.000 1.042 174 M CB -0.038 32.535 32.600 -0.045 0.000 1.368 174 M HN 0.463 nan 8.290 nan 0.000 0.404 175 I N 6.289 126.874 120.570 0.025 0.000 2.421 175 I HA 0.181 4.351 4.170 -0.000 0.000 0.291 175 I C 0.159 176.240 176.117 -0.061 0.000 1.089 175 I CA -0.149 61.095 61.300 -0.092 0.000 1.354 175 I CB -0.386 37.490 38.000 -0.206 0.000 1.413 175 I HN 0.598 nan 8.210 nan 0.000 0.513 176 I N 5.126 125.677 120.570 -0.031 0.000 2.365 176 I HA 0.318 4.488 4.170 -0.000 0.000 0.291 176 I C 1.302 177.450 176.117 0.051 0.000 1.004 176 I CA -0.030 61.345 61.300 0.125 0.000 1.311 176 I CB 1.024 39.121 38.000 0.162 0.000 1.401 176 I HN 0.863 nan 8.210 nan 0.000 0.491 177 G N 4.326 113.233 108.800 0.179 0.000 2.179 177 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.260 177 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.260 177 G C 0.386 175.334 174.900 0.081 0.000 0.977 177 G CA 0.096 45.291 45.100 0.157 0.000 0.641 177 G HN 1.220 nan 8.290 nan 0.000 0.533 178 G N -1.371 107.356 108.800 -0.122 0.000 2.570 178 G HA2 0.684 4.644 3.960 -0.000 0.000 0.310 178 G HA3 0.684 4.644 3.960 -0.000 0.000 0.310 178 G C -1.533 173.268 174.900 -0.165 0.000 1.266 178 G CA -0.274 44.738 45.100 -0.146 0.000 0.825 178 G HN 0.802 nan 8.290 nan 0.000 0.483 179 I N 0.045 120.633 120.570 0.031 0.000 2.894 179 I HA 0.484 4.654 4.170 -0.000 0.000 0.302 179 I C -1.769 174.567 176.117 0.364 0.000 1.188 179 I CA -0.694 60.737 61.300 0.218 0.000 1.014 179 I CB 2.889 41.034 38.000 0.242 0.000 1.242 179 I HN 0.417 nan 8.210 nan 0.000 0.430 180 D N 2.262 122.879 120.400 0.363 0.000 2.479 180 D HA 0.180 4.820 4.640 -0.000 0.000 0.246 180 D C 0.055 176.429 176.300 0.123 0.000 1.336 180 D CA -0.307 53.860 54.000 0.279 0.000 0.967 180 D CB 1.032 41.971 40.800 0.232 0.000 1.275 180 D HN 0.603 nan 8.370 nan 0.000 0.577 181 H N 1.677 120.774 119.070 0.044 0.000 2.545 181 H HA -0.058 4.498 4.556 -0.000 0.000 0.282 181 H C 1.848 176.967 175.328 -0.349 0.000 1.020 181 H CA 1.791 57.683 56.048 -0.260 0.000 1.243 181 H CB 0.681 30.255 29.762 -0.314 0.000 1.377 181 H HN 0.315 nan 8.280 nan 0.000 0.581 182 S N -0.496 115.162 115.700 -0.070 0.000 2.507 182 S HA -0.072 4.398 4.470 -0.000 0.000 0.235 182 S C 1.673 176.174 174.600 -0.166 0.000 0.988 182 S CA 0.637 58.787 58.200 -0.084 0.000 0.944 182 S CB -0.211 62.972 63.200 -0.029 0.000 0.762 182 S HN 0.488 nan 8.310 nan 0.000 0.526 183 L N 0.051 121.094 121.223 -0.300 0.000 2.567 183 L HA 0.341 4.681 4.340 -0.000 0.000 0.225 183 L C 0.404 177.067 176.870 -0.345 0.000 1.119 183 L CA -0.176 54.425 54.840 -0.399 0.000 0.871 183 L CB -0.219 41.401 42.059 -0.731 0.000 1.036 183 L HN 0.616 nan 8.230 nan 0.000 0.459 184 Y N -2.467 117.536 120.300 -0.494 0.000 2.597 184 Y HA 0.626 5.176 4.550 -0.000 0.000 0.340 184 Y C -0.371 175.393 175.900 -0.226 0.000 1.097 184 Y CA -1.368 56.538 58.100 -0.323 0.000 1.037 184 Y CB 1.007 39.292 38.460 -0.292 0.000 1.305 184 Y HN -0.107 nan 8.280 nan 0.000 0.463 185 T N -0.528 114.054 114.554 0.047 0.000 2.940 185 T HA 0.776 5.126 4.350 -0.000 0.000 0.288 185 T C 0.535 175.382 174.700 0.244 0.000 1.033 185 T CA -0.111 62.045 62.100 0.094 0.000 1.033 185 T CB 1.027 69.939 68.868 0.073 0.000 1.079 185 T HN 2.267 nan 8.240 nan 0.000 0.496 186 G N 1.222 110.159 108.800 0.228 0.000 2.569 186 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.259 186 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.259 186 G C 0.043 175.157 174.900 0.356 0.000 1.263 186 G CA -0.027 45.221 45.100 0.248 0.000 0.928 186 G HN 1.544 nan 8.290 nan 0.000 0.572 187 S N -1.194 114.670 115.700 0.273 0.000 2.608 187 S HA 0.685 5.154 4.470 -0.000 0.000 0.291 187 S C 0.367 174.989 174.600 0.038 0.000 1.146 187 S CA -0.608 57.691 58.200 0.165 0.000 1.043 187 S CB 0.865 64.044 63.200 -0.035 0.000 1.037 187 S HN 0.779 nan 8.310 nan 0.000 0.520 188 L N 3.686 124.792 121.223 -0.194 0.000 2.360 188 L HA 0.326 4.666 4.340 -0.000 0.000 0.276 188 L C -0.862 175.630 176.870 -0.629 0.000 1.121 188 L CA -0.261 54.288 54.840 -0.484 0.000 0.845 188 L CB 0.417 42.054 42.059 -0.704 0.000 1.143 188 L HN 0.692 nan 8.230 nan 0.000 0.452 189 W N 2.898 123.798 121.300 -0.666 0.000 2.570 189 W HA 0.483 5.143 4.660 -0.000 0.000 0.337 189 W C -0.692 175.278 176.519 -0.915 0.000 1.067 189 W CA -0.187 56.618 57.345 -0.901 0.000 1.229 189 W CB 1.111 29.668 29.460 -1.505 0.000 1.355 189 W HN 0.190 nan 8.180 nan 0.000 0.555 190 Y N 1.073 121.191 120.300 -0.304 0.000 2.409 190 Y HA 0.543 5.093 4.550 -0.000 0.000 0.343 190 Y C 0.299 176.386 175.900 0.312 0.000 0.973 190 Y CA -1.011 57.090 58.100 0.002 0.000 1.064 190 Y CB 2.411 40.833 38.460 -0.063 0.000 1.207 190 Y HN 0.152 nan 8.280 nan 0.000 0.452 191 T N 4.640 119.513 114.554 0.533 0.000 2.861 191 T HA 0.534 4.884 4.350 -0.000 0.000 0.287 191 T C -2.989 171.876 174.700 0.274 0.000 1.003 191 T CA -2.588 59.777 62.100 0.442 0.000 0.977 191 T CB 1.171 70.264 68.868 0.376 0.000 0.996 191 T HN 0.223 nan 8.240 nan 0.000 0.448 192 P HA 0.358 nan 4.420 nan 0.000 0.275 192 P C -0.389 177.012 177.300 0.169 0.000 1.227 192 P CA -0.409 62.787 63.100 0.160 0.000 0.781 192 P CB 0.310 32.086 31.700 0.126 0.000 0.906 193 I N 3.570 124.245 120.570 0.175 0.000 2.494 193 I HA 0.045 4.215 4.170 -0.000 0.000 0.289 193 I C 2.010 178.229 176.117 0.169 0.000 1.106 193 I CA 0.223 61.656 61.300 0.220 0.000 1.369 193 I CB 0.262 38.426 38.000 0.272 0.000 1.410 193 I HN 0.455 nan 8.210 nan 0.000 0.523 194 R N 6.174 126.786 120.500 0.187 0.000 2.075 194 R HA 0.050 4.390 4.340 -0.000 0.000 0.232 194 R C 0.814 177.178 176.300 0.108 0.000 1.126 194 R CA 1.083 57.268 56.100 0.142 0.000 0.963 194 R CB 0.310 30.706 30.300 0.161 0.000 0.858 194 R HN 0.583 nan 8.270 nan 0.000 0.435 195 R N 0.110 120.717 120.500 0.179 0.000 2.651 195 R HA 0.134 4.474 4.340 -0.000 0.000 0.278 195 R C -1.432 174.988 176.300 0.199 0.000 1.010 195 R CA -0.502 55.644 56.100 0.075 0.000 0.896 195 R CB 1.806 32.018 30.300 -0.146 0.000 1.211 195 R HN 0.087 nan 8.270 nan 0.000 0.456 196 E N 4.654 124.816 120.200 -0.064 0.000 1.852 196 E HA 0.040 4.390 4.350 -0.000 0.000 0.276 196 E C -0.219 176.398 176.600 0.029 0.000 1.163 196 E CA 0.060 56.211 56.400 -0.414 0.000 1.117 196 E CB 0.246 29.430 29.700 -0.859 0.000 1.124 196 E HN 0.444 nan 8.360 nan 0.000 0.458 197 W N 1.380 122.711 121.300 0.052 0.000 4.502 197 W HA 0.165 4.825 4.660 -0.000 0.000 0.167 197 W C -0.240 176.335 176.519 0.094 0.000 3.423 197 W CA -0.291 57.118 57.345 0.108 0.000 1.274 197 W CB -0.612 28.918 29.460 0.116 0.000 2.073 197 W HN -0.017 nan 8.180 nan 0.000 0.398 198 Y N 0.830 120.878 120.300 -0.421 0.000 2.260 198 Y HA 0.209 4.759 4.550 -0.000 0.000 0.339 198 Y C -0.034 175.836 175.900 -0.049 0.000 1.317 198 Y CA -0.354 57.541 58.100 -0.342 0.000 1.514 198 Y CB 0.039 38.172 38.460 -0.546 0.000 1.382 198 Y HN -0.177 nan 8.280 nan 0.000 0.581 199 Y N 1.093 121.601 120.300 0.347 0.000 2.573 199 Y HA 0.083 4.633 4.550 -0.000 0.000 0.346 199 Y C 0.451 176.518 175.900 0.278 0.000 1.198 199 Y CA -0.382 57.934 58.100 0.362 0.000 1.627 199 Y CB -0.578 38.100 38.460 0.364 0.000 1.457 199 Y HN 0.419 nan 8.280 nan 0.000 0.483 200 E N 2.497 122.940 120.200 0.406 0.000 2.277 200 E HA 0.598 4.948 4.350 -0.000 0.000 0.274 200 E C -0.803 175.966 176.600 0.283 0.000 1.022 200 E CA -0.663 55.935 56.400 0.329 0.000 0.853 200 E CB 1.086 31.081 29.700 0.492 0.000 1.086 200 E HN 0.397 nan 8.360 nan 0.000 0.397 201 V N 0.931 120.972 119.914 0.212 0.000 3.165 201 V HA 0.624 4.744 4.120 -0.000 0.000 0.309 201 V C -0.808 175.363 176.094 0.129 0.000 1.267 201 V CA -0.987 61.414 62.300 0.169 0.000 1.067 201 V CB 1.571 33.484 31.823 0.150 0.000 1.082 201 V HN 0.636 nan 8.190 nan 0.000 0.451 202 I N 1.427 122.053 120.570 0.093 0.000 2.436 202 I HA 0.520 4.690 4.170 -0.000 0.000 0.289 202 I C -0.811 175.316 176.117 0.018 0.000 1.010 202 I CA -0.491 60.855 61.300 0.077 0.000 1.098 202 I CB 1.911 39.963 38.000 0.087 0.000 1.266 202 I HN 0.499 nan 8.210 nan 0.000 0.434 203 I N 6.415 127.001 120.570 0.025 0.000 2.353 203 I HA 0.135 4.305 4.170 -0.000 0.000 0.293 203 I C 1.004 177.155 176.117 0.056 0.000 0.992 203 I CA -0.197 61.083 61.300 -0.033 0.000 1.268 203 I CB 1.734 39.690 38.000 -0.073 0.000 1.387 203 I HN 0.506 nan 8.210 nan 0.000 0.478 204 V N 2.934 122.851 119.914 0.005 0.000 3.605 204 V HA 0.451 4.571 4.120 -0.000 0.000 0.284 204 V C 0.390 176.496 176.094 0.020 0.000 1.386 204 V CA 0.020 62.352 62.300 0.052 0.000 1.053 204 V CB -0.072 31.760 31.823 0.014 0.000 0.857 204 V HN 0.843 nan 8.190 nan 0.000 0.436 205 R N -0.418 120.013 120.500 -0.115 0.000 2.634 205 R HA 0.692 5.032 4.340 -0.000 0.000 0.263 205 R C -2.421 173.638 176.300 -0.401 0.000 1.060 205 R CA -0.333 55.604 56.100 -0.270 0.000 0.898 205 R CB 2.546 32.471 30.300 -0.626 0.000 1.253 205 R HN 0.035 nan 8.270 nan 0.000 0.461 206 V N 2.572 122.186 119.914 -0.499 0.000 2.623 206 V HA 0.509 4.629 4.120 -0.000 0.000 0.304 206 V C -0.755 175.217 176.094 -0.203 0.000 1.054 206 V CA -0.696 61.330 62.300 -0.455 0.000 0.882 206 V CB 1.901 33.237 31.823 -0.812 0.000 1.002 206 V HN 0.789 nan 8.190 nan 0.000 0.424 207 E N 3.391 123.529 120.200 -0.103 0.000 2.317 207 E HA 0.704 5.054 4.350 -0.000 0.000 0.270 207 E C -1.572 175.002 176.600 -0.044 0.000 0.885 207 E CA -0.768 55.604 56.400 -0.046 0.000 0.760 207 E CB 3.034 32.755 29.700 0.034 0.000 1.227 207 E HN 0.566 nan 8.360 nan 0.000 0.434 208 I N 2.986 123.540 120.570 -0.027 0.000 2.468 208 I HA 0.204 4.374 4.170 -0.000 0.000 0.285 208 I C -0.313 175.812 176.117 0.014 0.000 1.039 208 I CA -0.337 60.958 61.300 -0.009 0.000 1.074 208 I CB 1.395 39.385 38.000 -0.016 0.000 1.228 208 I HN 0.573 nan 8.210 nan 0.000 0.436 209 N N 4.628 123.350 118.700 0.037 0.000 2.741 209 N HA -0.196 4.544 4.740 -0.000 0.000 0.250 209 N C 0.761 176.287 175.510 0.027 0.000 1.115 209 N CA 1.557 54.633 53.050 0.043 0.000 0.724 209 N CB -0.713 37.802 38.487 0.046 0.000 1.090 209 N HN 1.135 nan 8.380 nan 0.000 0.558 210 G N -1.890 106.922 108.800 0.019 0.000 2.157 210 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.239 210 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.239 210 G C -0.381 174.521 174.900 0.003 0.000 0.982 210 G CA 0.356 45.467 45.100 0.018 0.000 0.650 210 G HN 0.460 nan 8.290 nan 0.000 0.527 211 Q N 0.849 120.645 119.800 -0.007 0.000 2.368 211 Q HA 0.331 4.671 4.340 -0.000 0.000 0.263 211 Q C -0.749 175.231 176.000 -0.034 0.000 1.009 211 Q CA -0.803 54.989 55.803 -0.018 0.000 0.818 211 Q CB 1.897 30.628 28.738 -0.013 0.000 1.239 211 Q HN 0.333 nan 8.270 nan 0.000 0.464 212 D N 1.976 122.346 120.400 -0.051 0.000 2.478 212 D HA -0.062 4.578 4.640 -0.000 0.000 0.234 212 D C 0.229 176.509 176.300 -0.032 0.000 1.154 212 D CA 0.043 54.003 54.000 -0.066 0.000 0.874 212 D CB 0.938 41.686 40.800 -0.086 0.000 1.198 212 D HN 0.330 nan 8.370 nan 0.000 0.455 213 L N 3.356 124.576 121.223 -0.005 0.000 2.672 213 L HA 0.047 4.386 4.340 -0.000 0.000 0.236 213 L C 0.830 177.725 176.870 0.041 0.000 1.186 213 L CA 0.125 54.986 54.840 0.034 0.000 0.977 213 L CB -0.800 41.319 42.059 0.100 0.000 1.203 213 L HN 0.368 nan 8.230 nan 0.000 0.448 214 K N -0.167 120.238 120.400 0.008 0.000 4.007 214 K HA -0.252 4.068 4.320 -0.000 0.000 0.273 214 K C 0.158 176.746 176.600 -0.020 0.000 0.767 214 K CA 0.934 57.213 56.287 -0.012 0.000 0.596 214 K CB -1.309 31.174 32.500 -0.028 0.000 1.875 214 K HN 0.416 nan 8.250 nan 0.000 0.423 215 M N 0.976 120.572 119.600 -0.006 0.000 2.528 215 M HA 0.128 4.607 4.480 -0.000 0.000 0.321 215 M C -0.268 175.882 176.300 -0.251 0.000 1.153 215 M CA -0.782 54.440 55.300 -0.129 0.000 0.951 215 M CB 1.604 34.108 32.600 -0.161 0.000 1.705 215 M HN 0.139 nan 8.290 nan 0.000 0.451 216 D N 2.047 122.292 120.400 -0.258 0.000 2.493 216 D HA -0.040 4.600 4.640 -0.000 0.000 0.240 216 D C 1.065 177.086 176.300 -0.464 0.000 1.142 216 D CA -0.119 53.728 54.000 -0.256 0.000 0.872 216 D CB 0.905 41.586 40.800 -0.198 0.000 1.173 216 D HN 0.766 nan 8.370 nan 0.000 0.467 217 c N 3.334 121.741 118.600 -0.322 0.000 2.500 217 c HA 0.179 4.749 4.570 -0.000 0.000 0.273 217 c C 2.089 176.054 174.090 -0.209 0.000 1.428 217 c CA -0.297 55.846 56.329 -0.311 0.000 1.766 217 c CB -0.838 41.709 42.510 0.062 0.000 1.817 217 c HN 0.658 nan 8.230 nan 0.000 0.543 218 K N 0.746 121.038 120.400 -0.179 0.000 2.283 218 K HA -0.083 4.237 4.320 -0.000 0.000 0.202 218 K C 2.057 178.592 176.600 -0.109 0.000 1.048 218 K CA 1.239 57.476 56.287 -0.083 0.000 0.948 218 K CB -0.025 32.429 32.500 -0.077 0.000 0.742 218 K HN 0.422 nan 8.250 nan 0.000 0.458 219 E N 0.047 120.102 120.200 -0.242 0.000 2.015 219 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 219 E C 1.429 178.020 176.600 -0.014 0.000 0.991 219 E CA 1.540 57.833 56.400 -0.178 0.000 0.802 219 E CB -0.359 29.172 29.700 -0.280 0.000 0.759 219 E HN 0.372 nan 8.360 nan 0.000 0.447 220 Y N 0.602 120.916 120.300 0.024 0.000 2.172 220 Y HA -0.246 4.304 4.550 -0.000 0.000 0.280 220 Y C 0.875 176.797 175.900 0.036 0.000 1.209 220 Y CA 0.929 59.041 58.100 0.020 0.000 1.171 220 Y CB -0.172 38.283 38.460 -0.008 0.000 0.965 220 Y HN 0.090 nan 8.280 nan 0.000 0.520 221 N N -1.095 117.723 118.700 0.196 0.000 2.535 221 N HA 0.021 4.761 4.740 -0.000 0.000 0.294 221 N C -1.321 174.287 175.510 0.163 0.000 1.408 221 N CA -0.106 53.040 53.050 0.160 0.000 0.927 221 N CB 0.164 38.749 38.487 0.165 0.000 1.276 221 N HN 0.195 nan 8.380 nan 0.000 0.505 222 Y N 2.792 123.063 120.300 -0.049 0.000 2.417 222 Y HA 0.188 4.738 4.550 -0.000 0.000 0.336 222 Y C 0.376 176.191 175.900 -0.142 0.000 0.961 222 Y CA -1.716 56.274 58.100 -0.183 0.000 1.215 222 Y CB 0.469 38.801 38.460 -0.213 0.000 1.120 222 Y HN 0.052 nan 8.280 nan 0.000 0.499 223 D N 3.634 123.804 120.400 -0.383 0.000 2.388 223 D HA 0.161 4.800 4.640 -0.000 0.000 0.221 223 D C -0.416 175.970 176.300 0.144 0.000 1.133 223 D CA 0.035 53.949 54.000 -0.144 0.000 0.831 223 D CB 0.235 40.940 40.800 -0.157 0.000 0.962 223 D HN 0.380 nan 8.370 nan 0.000 0.502 224 K N -0.535 119.908 120.400 0.070 0.000 2.572 224 K HA 0.329 4.649 4.320 -0.000 0.000 0.263 224 K C -1.625 174.999 176.600 0.040 0.000 0.932 224 K CA -0.505 55.834 56.287 0.086 0.000 0.838 224 K CB 2.201 34.657 32.500 -0.073 0.000 1.366 224 K HN -0.180 nan 8.250 nan 0.000 0.425 225 S N 2.936 118.681 115.700 0.076 0.000 2.473 225 S HA 0.676 5.146 4.470 -0.000 0.000 0.307 225 S C -0.577 174.054 174.600 0.050 0.000 1.094 225 S CA -0.813 57.416 58.200 0.047 0.000 1.070 225 S CB 0.697 63.936 63.200 0.065 0.000 1.019 225 S HN 0.530 nan 8.310 nan 0.000 0.480 226 I N -0.854 119.731 120.570 0.025 0.000 2.865 226 I HA 0.737 4.907 4.170 -0.000 0.000 0.302 226 I C -1.293 174.904 176.117 0.133 0.000 1.140 226 I CA -1.338 60.005 61.300 0.072 0.000 1.021 226 I CB 1.899 39.867 38.000 -0.053 0.000 1.233 226 I HN 0.256 nan 8.210 nan 0.000 0.427 227 V N 2.799 122.854 119.914 0.234 0.000 2.364 227 V HA 0.377 4.497 4.120 -0.000 0.000 0.272 227 V C -0.721 175.537 176.094 0.273 0.000 1.036 227 V CA 0.011 62.464 62.300 0.255 0.000 0.880 227 V CB 0.738 32.720 31.823 0.265 0.000 0.991 227 V HN 0.695 nan 8.190 nan 0.000 0.460 228 D N 3.146 123.657 120.400 0.185 0.000 2.408 228 D HA 0.192 4.832 4.640 -0.000 0.000 0.261 228 D C 1.209 177.561 176.300 0.086 0.000 1.190 228 D CA -0.101 53.980 54.000 0.134 0.000 0.910 228 D CB 1.770 42.632 40.800 0.102 0.000 1.097 228 D HN 0.571 nan 8.370 nan 0.000 0.522 229 S N 1.021 116.751 115.700 0.050 0.000 2.537 229 S HA -0.037 4.433 4.470 -0.000 0.000 0.240 229 S C 1.586 176.187 174.600 0.001 0.000 0.981 229 S CA 0.515 58.722 58.200 0.011 0.000 0.948 229 S CB 0.062 63.225 63.200 -0.062 0.000 0.759 229 S HN 0.361 nan 8.310 nan 0.000 0.531 230 G N -0.001 108.785 108.800 -0.023 0.000 3.448 230 G HA2 0.438 4.398 3.960 -0.000 0.000 0.261 230 G HA3 0.438 4.398 3.960 -0.000 0.000 0.261 230 G C -0.158 174.714 174.900 -0.047 0.000 1.173 230 G CA -0.220 44.833 45.100 -0.078 0.000 0.835 230 G HN 0.436 nan 8.290 nan 0.000 0.534 231 T N -1.366 113.191 114.554 0.005 0.000 2.923 231 T HA 0.373 4.723 4.350 -0.000 0.000 0.311 231 T C 0.928 175.652 174.700 0.040 0.000 1.183 231 T CA -0.379 61.732 62.100 0.019 0.000 1.020 231 T CB 2.022 70.906 68.868 0.026 0.000 1.165 231 T HN -0.065 nan 8.240 nan 0.000 0.482 232 T N 2.191 116.766 114.554 0.035 0.000 2.866 232 T HA 0.114 4.463 4.350 -0.000 0.000 0.250 232 T C 0.773 175.497 174.700 0.040 0.000 1.033 232 T CA 0.802 62.930 62.100 0.047 0.000 1.145 232 T CB -0.145 68.746 68.868 0.038 0.000 0.866 232 T HN 0.499 nan 8.240 nan 0.000 0.434 233 N N 0.686 119.393 118.700 0.013 0.000 2.463 233 N HA 0.371 5.111 4.740 -0.000 0.000 0.270 233 N C -0.903 174.601 175.510 -0.010 0.000 1.205 233 N CA -0.549 52.494 53.050 -0.013 0.000 0.974 233 N CB 0.946 39.402 38.487 -0.051 0.000 1.197 233 N HN 0.122 nan 8.380 nan 0.000 0.504 234 L N 1.897 123.102 121.223 -0.030 0.000 2.485 234 L HA 0.131 4.471 4.340 -0.000 0.000 0.279 234 L C -0.219 176.618 176.870 -0.055 0.000 1.124 234 L CA 0.010 54.830 54.840 -0.033 0.000 0.888 234 L CB -0.111 41.919 42.059 -0.049 0.000 1.217 234 L HN 0.421 nan 8.230 nan 0.000 0.464 235 R N 6.513 126.988 120.500 -0.041 0.000 2.565 235 R HA 0.331 4.671 4.340 -0.000 0.000 0.286 235 R C -0.687 175.595 176.300 -0.030 0.000 1.256 235 R CA -0.556 55.508 56.100 -0.060 0.000 1.238 235 R CB 0.309 30.572 30.300 -0.061 0.000 1.153 235 R HN 0.612 nan 8.270 nan 0.000 0.553 236 L N 4.149 125.377 121.223 0.009 0.000 2.416 236 L HA 0.211 4.551 4.340 -0.000 0.000 0.272 236 L C -1.921 174.999 176.870 0.084 0.000 1.161 236 L CA -1.948 52.943 54.840 0.086 0.000 0.845 236 L CB 0.123 42.295 42.059 0.188 0.000 1.119 236 L HN 0.111 nan 8.230 nan 0.000 0.464 237 P HA -0.012 nan 4.420 nan 0.000 0.270 237 P C 0.303 177.683 177.300 0.134 0.000 1.223 237 P CA -0.327 62.813 63.100 0.066 0.000 0.785 237 P CB 0.625 32.372 31.700 0.078 0.000 0.923 238 K N 2.503 122.965 120.400 0.103 0.000 2.059 238 K HA -0.262 4.058 4.320 -0.000 0.000 0.212 238 K C 1.747 178.478 176.600 0.218 0.000 1.050 238 K CA 2.001 58.383 56.287 0.159 0.000 0.927 238 K CB -0.163 32.398 32.500 0.101 0.000 0.714 238 K HN 0.185 nan 8.250 nan 0.000 0.447 239 K N -0.111 120.383 120.400 0.156 0.000 2.076 239 K HA -0.026 4.294 4.320 -0.000 0.000 0.204 239 K C 1.883 178.538 176.600 0.092 0.000 1.051 239 K CA 0.925 57.275 56.287 0.106 0.000 0.949 239 K CB 0.202 32.742 32.500 0.067 0.000 0.726 239 K HN 0.012 nan 8.250 nan 0.000 0.443 240 V N 1.320 121.309 119.914 0.124 0.000 2.407 240 V HA -0.236 3.883 4.120 -0.000 0.000 0.248 240 V C 1.972 178.163 176.094 0.161 0.000 1.055 240 V CA 1.766 64.159 62.300 0.156 0.000 1.049 240 V CB -0.600 31.369 31.823 0.243 0.000 0.662 240 V HN 0.324 nan 8.190 nan 0.000 0.455 241 F N 1.607 121.592 119.950 0.058 0.000 2.084 241 F HA -0.138 4.389 4.527 -0.000 0.000 0.296 241 F C 2.345 178.169 175.800 0.040 0.000 1.111 241 F CA 2.163 60.193 58.000 0.050 0.000 1.224 241 F CB -0.444 38.587 39.000 0.051 0.000 0.991 241 F HN 0.107 nan 8.300 nan 0.000 0.471 242 E N 0.546 120.675 120.200 -0.118 0.000 2.086 242 E HA -0.247 4.103 4.350 -0.000 0.000 0.200 242 E C 2.192 178.638 176.600 -0.256 0.000 1.012 242 E CA 1.985 58.239 56.400 -0.243 0.000 0.812 242 E CB -0.683 29.003 29.700 -0.023 0.000 0.743 242 E HN 0.495 nan 8.360 nan 0.000 0.453 243 A N -0.192 122.550 122.820 -0.129 0.000 1.975 243 A HA 0.187 4.507 4.320 -0.000 0.000 0.215 243 A C 2.251 179.769 177.584 -0.111 0.000 1.170 243 A CA 1.343 53.321 52.037 -0.098 0.000 0.656 243 A CB -0.506 18.476 19.000 -0.030 0.000 0.821 243 A HN 0.305 nan 8.150 nan 0.000 0.449 244 A N -0.130 122.629 122.820 -0.103 0.000 1.845 244 A HA -0.032 4.288 4.320 -0.000 0.000 0.215 244 A C 2.171 179.652 177.584 -0.170 0.000 1.195 244 A CA 1.876 53.862 52.037 -0.085 0.000 0.616 244 A CB -1.135 17.861 19.000 -0.007 0.000 0.832 244 A HN 0.410 nan 8.150 nan 0.000 0.443 245 V N 0.629 120.352 119.914 -0.320 0.000 2.332 245 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 245 V C 2.505 178.333 176.094 -0.443 0.000 1.055 245 V CA 2.431 64.475 62.300 -0.427 0.000 1.038 245 V CB -0.829 30.587 31.823 -0.679 0.000 0.651 245 V HN 0.656 nan 8.190 nan 0.000 0.450 246 K N 0.112 120.301 120.400 -0.350 0.000 2.032 246 K HA -0.311 4.008 4.320 -0.000 0.000 0.218 246 K C 2.455 178.933 176.600 -0.203 0.000 1.054 246 K CA 2.313 58.447 56.287 -0.255 0.000 0.941 246 K CB -0.414 31.979 32.500 -0.177 0.000 0.720 246 K HN 0.456 nan 8.250 nan 0.000 0.449 247 S N -0.018 115.589 115.700 -0.154 0.000 2.461 247 S HA 0.000 4.470 4.470 -0.000 0.000 0.228 247 S C 1.895 176.437 174.600 -0.097 0.000 1.005 247 S CA 0.490 58.628 58.200 -0.103 0.000 0.942 247 S CB -0.151 63.009 63.200 -0.066 0.000 0.776 247 S HN 0.317 nan 8.310 nan 0.000 0.514 248 I N 1.173 121.659 120.570 -0.140 0.000 2.163 248 I HA -0.153 4.017 4.170 -0.000 0.000 0.240 248 I C 2.652 178.686 176.117 -0.138 0.000 1.081 248 I CA 1.283 62.533 61.300 -0.083 0.000 1.353 248 I CB -0.441 37.511 38.000 -0.079 0.000 1.054 248 I HN 0.313 nan 8.210 nan 0.000 0.407 249 K N 1.200 121.336 120.400 -0.441 0.000 2.059 249 K HA -0.267 4.053 4.320 -0.000 0.000 0.212 249 K C 2.108 178.642 176.600 -0.110 0.000 1.050 249 K CA 2.059 58.089 56.287 -0.427 0.000 0.927 249 K CB -0.148 31.999 32.500 -0.588 0.000 0.714 249 K HN 0.350 nan 8.250 nan 0.000 0.447 250 A N 0.310 123.063 122.820 -0.111 0.000 1.968 250 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 250 A C 2.148 179.720 177.584 -0.020 0.000 1.169 250 A CA 1.463 53.467 52.037 -0.055 0.000 0.638 250 A CB -0.398 18.563 19.000 -0.064 0.000 0.812 250 A HN 0.459 nan 8.150 nan 0.000 0.446 251 A N 0.068 122.886 122.820 -0.004 0.000 2.067 251 A HA 0.094 4.413 4.320 -0.000 0.000 0.217 251 A C 1.871 179.473 177.584 0.029 0.000 1.156 251 A CA 1.560 53.609 52.037 0.020 0.000 0.683 251 A CB -0.441 18.587 19.000 0.046 0.000 0.808 251 A HN 0.952 nan 8.150 nan 0.000 0.455 252 S N -1.329 114.405 115.700 0.057 0.000 2.526 252 S HA 0.280 4.750 4.470 -0.000 0.000 0.245 252 S C 0.832 175.487 174.600 0.092 0.000 1.103 252 S CA 0.318 58.550 58.200 0.053 0.000 1.095 252 S CB 0.279 63.550 63.200 0.118 0.000 0.826 252 S HN 0.205 nan 8.310 nan 0.000 0.468 253 S N 2.281 118.001 115.700 0.033 0.000 2.402 253 S HA -0.100 4.370 4.470 -0.000 0.000 0.229 253 S C 1.916 176.492 174.600 -0.041 0.000 1.021 253 S CA 1.616 59.817 58.200 0.003 0.000 0.974 253 S CB -0.723 62.470 63.200 -0.012 0.000 0.800 253 S HN 0.816 nan 8.310 nan 0.000 0.484 254 T N 2.132 116.660 114.554 -0.044 0.000 2.731 254 T HA -0.217 4.133 4.350 -0.000 0.000 0.259 254 T C 0.649 175.293 174.700 -0.092 0.000 1.054 254 T CA 1.581 63.644 62.100 -0.062 0.000 1.158 254 T CB -0.406 68.422 68.868 -0.068 0.000 0.847 254 T HN 0.573 nan 8.240 nan 0.000 0.470 255 E N 0.607 120.722 120.200 -0.142 0.000 2.359 255 E HA 0.637 4.987 4.350 -0.000 0.000 0.266 255 E C -0.731 175.470 176.600 -0.665 0.000 0.920 255 E CA -1.083 55.131 56.400 -0.310 0.000 0.788 255 E CB 2.064 31.635 29.700 -0.215 0.000 1.279 255 E HN 0.113 nan 8.360 nan 0.000 0.438 256 K N 0.854 120.802 120.400 -0.753 0.000 2.123 256 K HA 0.592 4.912 4.320 -0.000 0.000 0.259 256 K C -1.679 174.290 176.600 -1.051 0.000 0.960 256 K CA -0.267 55.624 56.287 -0.659 0.000 0.872 256 K CB 0.642 32.976 32.500 -0.275 0.000 1.079 256 K HN 0.444 nan 8.250 nan 0.000 0.440 257 F N 1.838 121.842 119.950 0.090 0.000 2.631 257 F HA 0.426 4.952 4.527 -0.000 0.000 0.308 257 F C -2.200 173.626 175.800 0.043 0.000 1.097 257 F CA -2.390 55.577 58.000 -0.056 0.000 0.952 257 F CB 1.221 40.043 39.000 -0.297 0.000 1.307 257 F HN 0.419 nan 8.300 nan 0.000 0.450 258 P HA 0.085 nan 4.420 nan 0.000 0.267 258 P C 0.152 177.608 177.300 0.261 0.000 1.200 258 P CA 0.072 63.269 63.100 0.162 0.000 0.772 258 P CB 0.813 32.569 31.700 0.093 0.000 0.855 259 D N 2.048 122.619 120.400 0.285 0.000 2.219 259 D HA -0.094 4.546 4.640 -0.000 0.000 0.205 259 D C 2.078 178.571 176.300 0.322 0.000 0.970 259 D CA 1.429 55.661 54.000 0.388 0.000 0.851 259 D CB -0.308 40.651 40.800 0.266 0.000 0.943 259 D HN 0.553 nan 8.370 nan 0.000 0.488 260 G N 1.234 110.165 108.800 0.217 0.000 2.446 260 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.217 260 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.217 260 G C 1.431 176.432 174.900 0.169 0.000 1.168 260 G CA 0.607 45.814 45.100 0.178 0.000 0.771 260 G HN 0.257 nan 8.290 nan 0.000 0.551 261 F N 0.908 120.843 119.950 -0.026 0.000 2.063 261 F HA -0.257 4.270 4.527 -0.000 0.000 0.297 261 F C 2.346 178.102 175.800 -0.073 0.000 1.099 261 F CA 2.003 59.912 58.000 -0.152 0.000 1.220 261 F CB -0.691 38.071 39.000 -0.397 0.000 0.972 261 F HN 0.285 nan 8.300 nan 0.000 0.487 262 W N -0.186 120.869 121.300 -0.409 0.000 2.374 262 W HA -0.121 4.539 4.660 -0.000 0.000 0.288 262 W C 1.687 178.280 176.519 0.123 0.000 1.218 262 W CA -0.129 56.964 57.345 -0.419 0.000 1.245 262 W CB -0.548 28.779 29.460 -0.222 0.000 1.126 262 W HN -0.033 nan 8.180 nan 0.000 0.545 263 L N 0.977 122.409 121.223 0.347 0.000 2.693 263 L HA 0.191 4.531 4.340 -0.000 0.000 0.242 263 L C 1.869 178.834 176.870 0.159 0.000 1.157 263 L CA 1.559 56.575 54.840 0.293 0.000 0.929 263 L CB -1.440 40.761 42.059 0.236 0.000 1.103 263 L HN 0.359 nan 8.230 nan 0.000 0.430 264 G N 0.125 109.006 108.800 0.134 0.000 2.579 264 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.222 264 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.222 264 G C 0.774 175.731 174.900 0.096 0.000 1.201 264 G CA 0.085 45.240 45.100 0.092 0.000 0.710 264 G HN 0.445 nan 8.290 nan 0.000 0.516 265 E N 1.724 121.985 120.200 0.102 0.000 3.400 265 E HA 0.408 4.758 4.350 -0.000 0.000 0.290 265 E C 0.332 176.997 176.600 0.108 0.000 1.464 265 E CA 0.665 57.124 56.400 0.099 0.000 1.555 265 E CB -0.127 29.629 29.700 0.093 0.000 1.262 265 E HN 0.560 nan 8.360 nan 0.000 0.452 266 Q N 0.006 119.884 119.800 0.130 0.000 3.111 266 Q HA 0.083 4.423 4.340 -0.000 0.000 0.187 266 Q C -1.492 174.579 176.000 0.119 0.000 1.020 266 Q CA -0.384 55.476 55.803 0.095 0.000 1.085 266 Q CB 0.368 29.140 28.738 0.056 0.000 2.125 266 Q HN 0.306 nan 8.270 nan 0.000 0.556 267 L N 2.318 123.576 121.223 0.057 0.000 2.453 267 L HA 0.623 4.963 4.340 -0.000 0.000 0.274 267 L C -0.989 175.804 176.870 -0.128 0.000 1.270 267 L CA 0.453 55.305 54.840 0.021 0.000 0.822 267 L CB 1.071 43.121 42.059 -0.014 0.000 1.091 267 L HN 0.517 nan 8.230 nan 0.000 0.546 268 V N 2.681 122.436 119.914 -0.264 0.000 2.932 268 V HA 0.535 4.655 4.120 -0.000 0.000 0.307 268 V C -0.957 174.731 176.094 -0.677 0.000 1.147 268 V CA -0.555 61.400 62.300 -0.575 0.000 0.951 268 V CB 1.604 32.843 31.823 -0.973 0.000 1.031 268 V HN 1.048 nan 8.190 nan 0.000 0.426 269 c N 5.590 123.715 118.600 -0.790 0.000 2.771 269 c HA 0.885 5.455 4.570 -0.000 0.000 0.333 269 c C -0.802 172.861 174.090 -0.712 0.000 1.267 269 c CA -0.335 55.670 56.329 -0.538 0.000 1.721 269 c CB 1.945 44.295 42.510 -0.267 0.000 2.222 269 c HN 0.972 nan 8.230 nan 0.000 0.485 270 W N -0.513 120.772 121.300 -0.024 0.000 2.955 270 W HA 0.356 5.016 4.660 -0.000 0.000 0.428 270 W C -0.785 175.722 176.519 -0.020 0.000 1.041 270 W CA -0.239 57.096 57.345 -0.016 0.000 1.220 270 W CB 0.165 29.618 29.460 -0.011 0.000 1.459 270 W HN 0.519 nan 8.180 nan 0.000 0.618 271 Q N 0.922 120.885 119.800 0.272 0.000 2.259 271 Q HA 0.586 4.926 4.340 -0.000 0.000 0.246 271 Q C -0.117 175.948 176.000 0.108 0.000 0.920 271 Q CA 0.091 55.974 55.803 0.134 0.000 0.895 271 Q CB 1.571 30.368 28.738 0.099 0.000 1.220 271 Q HN 0.362 nan 8.270 nan 0.000 0.439 272 A N 3.125 125.988 122.820 0.071 0.000 3.118 272 A HA 0.526 4.846 4.320 -0.000 0.000 0.256 272 A C 0.657 178.276 177.584 0.057 0.000 1.667 272 A CA 0.451 52.523 52.037 0.059 0.000 1.338 272 A CB -1.022 17.998 19.000 0.034 0.000 1.127 272 A HN 0.966 nan 8.150 nan 0.000 0.634 273 G N -0.892 107.948 108.800 0.067 0.000 3.989 273 G HA2 0.189 4.148 3.960 -0.000 0.000 0.183 273 G HA3 0.189 4.148 3.960 -0.000 0.000 0.183 273 G C 0.060 174.996 174.900 0.059 0.000 0.892 273 G CA 0.554 45.690 45.100 0.059 0.000 0.914 273 G HN 0.554 nan 8.290 nan 0.000 0.347 274 T N 1.545 116.123 114.554 0.040 0.000 3.109 274 T HA 0.606 4.956 4.350 -0.000 0.000 0.311 274 T C -0.873 173.771 174.700 -0.093 0.000 1.011 274 T CA -0.185 61.913 62.100 -0.003 0.000 1.026 274 T CB 2.253 71.125 68.868 0.008 0.000 1.047 274 T HN 0.136 nan 8.240 nan 0.000 0.448 275 T N 4.710 119.092 114.554 -0.288 0.000 2.943 275 T HA 0.531 4.881 4.350 -0.000 0.000 0.284 275 T C -2.309 171.942 174.700 -0.747 0.000 1.015 275 T CA -1.582 60.114 62.100 -0.673 0.000 1.042 275 T CB 1.210 69.477 68.868 -1.001 0.000 1.055 275 T HN 0.302 nan 8.240 nan 0.000 0.500 276 P HA 0.127 nan 4.420 nan 0.000 0.256 276 P C -0.197 176.868 177.300 -0.393 0.000 1.688 276 P CA -0.053 62.734 63.100 -0.522 0.000 1.162 276 P CB -0.170 31.262 31.700 -0.446 0.000 1.870 277 W N 1.645 122.859 121.300 -0.143 0.000 2.441 277 W HA -0.040 4.620 4.660 -0.000 0.000 0.302 277 W C 1.051 177.579 176.519 0.015 0.000 1.191 277 W CA -0.184 57.138 57.345 -0.038 0.000 1.327 277 W CB -0.459 28.960 29.460 -0.068 0.000 1.128 277 W HN 0.134 nan 8.180 nan 0.000 0.522 278 N N 1.133 119.937 118.700 0.172 0.000 3.115 278 N HA 0.051 4.790 4.740 -0.000 0.000 0.305 278 N C 0.291 175.783 175.510 -0.029 0.000 1.305 278 N CA 0.821 53.889 53.050 0.029 0.000 1.154 278 N CB -0.391 38.012 38.487 -0.139 0.000 1.454 278 N HN 0.131 nan 8.380 nan 0.000 0.551 279 I N -2.185 118.385 120.570 0.000 0.000 5.201 279 I HA 0.069 4.239 4.170 -0.000 0.000 0.391 279 I C -0.321 175.650 176.117 -0.243 0.000 0.965 279 I CA 0.077 61.294 61.300 -0.139 0.000 1.614 279 I CB -0.498 37.353 38.000 -0.248 0.000 2.546 279 I HN -0.090 nan 8.210 nan 0.000 0.811 280 F N 4.994 125.049 119.950 0.175 0.000 2.425 280 F HA 0.579 5.106 4.527 -0.000 0.000 0.331 280 F C -1.982 173.976 175.800 0.264 0.000 1.085 280 F CA -1.994 56.176 58.000 0.283 0.000 1.028 280 F CB 0.861 40.080 39.000 0.365 0.000 1.177 280 F HN -0.226 nan 8.300 nan 0.000 0.487 281 P HA 0.168 nan 4.420 nan 0.000 0.282 281 P C -0.628 176.875 177.300 0.339 0.000 1.249 281 P CA -0.338 62.940 63.100 0.298 0.000 0.806 281 P CB 1.426 33.244 31.700 0.197 0.000 0.984 282 V N 1.833 121.882 119.914 0.225 0.000 2.901 282 V HA 0.145 4.264 4.120 -0.000 0.000 0.307 282 V C 0.164 176.326 176.094 0.114 0.000 1.084 282 V CA 0.165 62.576 62.300 0.185 0.000 1.184 282 V CB -0.537 31.353 31.823 0.111 0.000 0.941 282 V HN 0.303 nan 8.190 nan 0.000 0.493 283 I N 3.414 124.028 120.570 0.074 0.000 2.441 283 I HA 0.478 4.647 4.170 -0.000 0.000 0.295 283 I C 0.103 176.198 176.117 -0.036 0.000 0.994 283 I CA -0.182 61.105 61.300 -0.021 0.000 1.144 283 I CB 1.955 39.891 38.000 -0.107 0.000 1.314 283 I HN 0.742 nan 8.210 nan 0.000 0.445 284 S N 6.722 122.376 115.700 -0.076 0.000 2.519 284 S HA 0.630 5.100 4.470 -0.000 0.000 0.309 284 S C -0.542 173.958 174.600 -0.167 0.000 1.100 284 S CA -0.612 57.504 58.200 -0.140 0.000 1.059 284 S CB 1.405 64.511 63.200 -0.157 0.000 1.008 284 S HN 0.332 nan 8.310 nan 0.000 0.478 285 L N 3.672 124.742 121.223 -0.256 0.000 2.313 285 L HA 0.532 4.871 4.340 -0.000 0.000 0.283 285 L C -1.223 175.434 176.870 -0.355 0.000 1.013 285 L CA -0.885 53.790 54.840 -0.276 0.000 0.816 285 L CB 0.631 42.500 42.059 -0.317 0.000 1.236 285 L HN 0.575 nan 8.230 nan 0.000 0.419 286 Y N 3.601 123.641 120.300 -0.432 0.000 2.304 286 Y HA 0.544 5.094 4.550 -0.000 0.000 0.328 286 Y C 0.163 175.781 175.900 -0.469 0.000 1.123 286 Y CA -0.413 57.410 58.100 -0.462 0.000 1.218 286 Y CB 1.070 39.300 38.460 -0.383 0.000 1.207 286 Y HN 0.374 nan 8.280 nan 0.000 0.495 287 L N 3.337 124.240 121.223 -0.534 0.000 2.341 287 L HA 0.490 4.830 4.340 -0.000 0.000 0.267 287 L C -0.161 176.514 176.870 -0.325 0.000 1.009 287 L CA -1.115 53.418 54.840 -0.511 0.000 0.819 287 L CB 1.995 43.557 42.059 -0.827 0.000 1.323 287 L HN 0.581 nan 8.230 nan 0.000 0.425 288 M N 1.254 120.795 119.600 -0.099 0.000 2.252 288 M HA 0.189 4.669 4.480 -0.000 0.000 0.348 288 M C 0.502 176.909 176.300 0.179 0.000 1.334 288 M CA 0.280 55.609 55.300 0.049 0.000 1.071 288 M CB 0.649 33.297 32.600 0.080 0.000 1.763 288 M HN 0.741 nan 8.290 nan 0.000 0.452 289 G N 3.152 112.111 108.800 0.266 0.000 2.543 289 G HA2 0.218 4.178 3.960 -0.000 0.000 0.290 289 G HA3 0.218 4.178 3.960 -0.000 0.000 0.290 289 G C 0.039 175.112 174.900 0.289 0.000 1.310 289 G CA -0.459 44.897 45.100 0.426 0.000 1.025 289 G HN 0.876 nan 8.290 nan 0.000 0.502 290 E N -1.595 118.763 120.200 0.263 0.000 2.482 290 E HA 0.084 4.434 4.350 -0.000 0.000 0.196 290 E C 0.074 176.742 176.600 0.114 0.000 1.047 290 E CA 0.165 56.659 56.400 0.157 0.000 0.869 290 E CB 0.450 30.212 29.700 0.103 0.000 0.836 290 E HN 0.026 nan 8.360 nan 0.000 0.520 291 V N 1.267 121.260 119.914 0.132 0.000 2.823 291 V HA 0.092 4.211 4.120 -0.000 0.000 0.312 291 V C 0.001 176.154 176.094 0.098 0.000 1.072 291 V CA -0.902 61.457 62.300 0.099 0.000 0.937 291 V CB 2.190 34.073 31.823 0.100 0.000 1.013 291 V HN 0.028 nan 8.190 nan 0.000 0.430 292 T N 4.877 119.475 114.554 0.073 0.000 2.819 292 T HA -0.026 4.324 4.350 -0.000 0.000 0.282 292 T C 0.841 175.586 174.700 0.076 0.000 1.013 292 T CA 0.855 62.995 62.100 0.066 0.000 1.159 292 T CB -0.431 68.466 68.868 0.049 0.000 1.007 292 T HN 0.841 nan 8.240 nan 0.000 0.514 293 N N 0.598 119.345 118.700 0.078 0.000 2.753 293 N HA -0.159 4.581 4.740 -0.000 0.000 0.251 293 N C -0.107 175.470 175.510 0.111 0.000 1.097 293 N CA 1.011 54.110 53.050 0.082 0.000 0.786 293 N CB -0.586 37.939 38.487 0.064 0.000 1.137 293 N HN 0.788 nan 8.380 nan 0.000 0.566 294 Q N 0.891 120.776 119.800 0.141 0.000 2.333 294 Q HA 0.504 4.844 4.340 -0.000 0.000 0.265 294 Q C -0.176 175.965 176.000 0.236 0.000 0.989 294 Q CA -0.221 55.697 55.803 0.192 0.000 0.842 294 Q CB 1.302 30.164 28.738 0.207 0.000 1.262 294 Q HN 0.341 nan 8.270 nan 0.000 0.451 295 S N 3.298 119.156 115.700 0.264 0.000 2.786 295 S HA 0.887 5.357 4.470 -0.000 0.000 0.307 295 S C -0.417 174.415 174.600 0.387 0.000 1.121 295 S CA -0.560 57.803 58.200 0.273 0.000 0.975 295 S CB 1.130 64.440 63.200 0.183 0.000 1.220 295 S HN 0.563 nan 8.310 nan 0.000 0.550 296 F N -1.707 118.283 119.950 0.066 0.000 2.711 296 F HA 0.851 5.377 4.527 -0.000 0.000 0.313 296 F C -0.992 174.613 175.800 -0.325 0.000 1.141 296 F CA -1.356 56.563 58.000 -0.136 0.000 0.941 296 F CB 1.103 39.800 39.000 -0.506 0.000 1.349 296 F HN 0.900 nan 8.300 nan 0.000 0.464 297 R N 1.908 122.167 120.500 -0.401 0.000 2.750 297 R HA 0.840 5.180 4.340 -0.000 0.000 0.281 297 R C -1.278 174.769 176.300 -0.421 0.000 0.972 297 R CA -1.006 54.667 56.100 -0.712 0.000 0.912 297 R CB 2.490 32.075 30.300 -1.191 0.000 1.187 297 R HN 0.962 nan 8.270 nan 0.000 0.464 298 I N -0.922 119.341 120.570 -0.513 0.000 2.412 298 I HA 0.530 4.700 4.170 -0.000 0.000 0.296 298 I C -1.001 175.016 176.117 -0.167 0.000 0.987 298 I CA -0.596 60.455 61.300 -0.415 0.000 1.180 298 I CB 2.364 39.771 38.000 -0.989 0.000 1.340 298 I HN 0.525 nan 8.210 nan 0.000 0.455 299 T N 7.786 122.392 114.554 0.087 0.000 2.815 299 T HA 0.512 4.862 4.350 -0.000 0.000 0.289 299 T C 0.033 174.824 174.700 0.152 0.000 1.000 299 T CA -0.451 61.694 62.100 0.074 0.000 0.958 299 T CB 1.048 69.923 68.868 0.011 0.000 0.944 299 T HN 0.632 nan 8.240 nan 0.000 0.442 300 I N 1.577 122.219 120.570 0.121 0.000 2.664 300 I HA 0.659 4.829 4.170 -0.000 0.000 0.308 300 I C -0.544 175.642 176.117 0.116 0.000 0.984 300 I CA -1.101 60.240 61.300 0.070 0.000 1.213 300 I CB 0.883 38.949 38.000 0.110 0.000 1.379 300 I HN 0.432 nan 8.210 nan 0.000 0.501 301 L N 3.154 124.421 121.223 0.074 0.000 2.440 301 L HA 0.482 4.822 4.340 -0.000 0.000 0.262 301 L C -1.725 175.150 176.870 0.009 0.000 1.072 301 L CA -1.654 53.226 54.840 0.067 0.000 0.798 301 L CB 0.338 42.356 42.059 -0.068 0.000 1.307 301 L HN 0.404 nan 8.230 nan 0.000 0.475 302 P HA -0.082 nan 4.420 nan 0.000 0.236 302 P C 0.446 177.282 177.300 -0.773 0.000 1.177 302 P CA 0.541 63.028 63.100 -1.023 0.000 0.773 302 P CB 0.084 31.429 31.700 -0.592 0.000 0.878 303 Q N -0.665 118.654 119.800 -0.802 0.000 2.452 303 Q HA -0.013 4.327 4.340 -0.000 0.000 0.214 303 Q C 0.862 176.677 176.000 -0.309 0.000 0.966 303 Q CA 0.856 56.210 55.803 -0.749 0.000 0.964 303 Q CB -0.209 28.064 28.738 -0.776 0.000 0.992 303 Q HN 0.319 nan 8.270 nan 0.000 0.517 304 Q N -0.731 118.931 119.800 -0.230 0.000 2.577 304 Q HA 0.064 4.403 4.340 -0.000 0.000 0.242 304 Q C 1.177 177.183 176.000 0.011 0.000 0.818 304 Q CA 0.517 56.287 55.803 -0.055 0.000 0.962 304 Q CB 0.184 28.927 28.738 0.010 0.000 1.272 304 Q HN 0.561 nan 8.270 nan 0.000 0.593 305 Y N -1.713 118.558 120.300 -0.049 0.000 2.517 305 Y HA 0.408 4.958 4.550 -0.000 0.000 0.281 305 Y C 0.052 175.930 175.900 -0.037 0.000 1.125 305 Y CA -0.271 57.775 58.100 -0.090 0.000 1.283 305 Y CB 0.396 38.765 38.460 -0.152 0.000 1.042 305 Y HN -0.100 nan 8.280 nan 0.000 0.547 306 L N 4.244 125.346 121.223 -0.200 0.000 2.297 306 L HA 0.406 4.746 4.340 -0.000 0.000 0.277 306 L C -0.503 176.489 176.870 0.205 0.000 1.040 306 L CA -1.192 53.655 54.840 0.011 0.000 0.867 306 L CB 0.587 42.567 42.059 -0.131 0.000 1.244 306 L HN 0.332 nan 8.230 nan 0.000 0.433 307 R N 3.104 123.759 120.500 0.259 0.000 2.562 307 R HA 0.790 5.130 4.340 -0.000 0.000 0.298 307 R C -2.707 173.767 176.300 0.290 0.000 0.961 307 R CA -2.007 54.259 56.100 0.276 0.000 0.881 307 R CB 0.653 31.041 30.300 0.147 0.000 1.159 307 R HN 0.156 nan 8.270 nan 0.000 0.450 308 P HA -0.129 nan 4.420 nan 0.000 0.266 308 P C -0.198 177.125 177.300 0.038 0.000 1.193 308 P CA -0.274 62.850 63.100 0.040 0.000 0.770 308 P CB 0.665 32.344 31.700 -0.034 0.000 0.836 309 V N 2.688 122.604 119.914 0.004 0.000 2.933 309 V HA 0.076 4.196 4.120 -0.000 0.000 0.374 309 V C 0.354 176.438 176.094 -0.016 0.000 1.321 309 V CA -0.009 62.296 62.300 0.008 0.000 1.290 309 V CB -1.893 29.945 31.823 0.024 0.000 1.346 309 V HN 0.674 nan 8.190 nan 0.000 0.560 315 S N 2.346 118.025 115.700 -0.036 0.000 2.579 315 S HA 0.627 5.096 4.470 -0.000 0.000 0.290 315 S C -1.215 173.363 174.600 -0.036 0.000 1.123 315 S CA -0.685 57.489 58.200 -0.043 0.000 0.894 315 S CB 2.304 65.475 63.200 -0.049 0.000 1.095 315 S HN 0.775 nan 8.310 nan 0.000 0.450 316 Q N 1.369 121.148 119.800 -0.035 0.000 2.330 316 Q HA 0.276 4.616 4.340 -0.000 0.000 0.290 316 Q C -1.804 174.182 176.000 -0.024 0.000 0.805 316 Q CA -0.097 55.690 55.803 -0.028 0.000 1.054 316 Q CB 0.442 29.168 28.738 -0.020 0.000 1.367 316 Q HN 0.753 nan 8.270 nan 0.000 0.387 317 D N 0.007 120.388 120.400 -0.031 0.000 2.732 317 D HA 0.177 4.817 4.640 -0.000 0.000 0.229 317 D C -1.197 175.080 176.300 -0.038 0.000 1.152 317 D CA -0.389 53.602 54.000 -0.015 0.000 0.854 317 D CB 1.835 42.636 40.800 0.001 0.000 1.590 317 D HN 0.061 nan 8.370 nan 0.000 0.468 318 D N 1.221 121.611 120.400 -0.018 0.000 2.503 318 D HA 0.035 4.674 4.640 -0.000 0.000 0.280 318 D C -0.155 176.056 176.300 -0.149 0.000 1.405 318 D CA 0.587 54.536 54.000 -0.085 0.000 1.049 318 D CB -0.238 40.597 40.800 0.058 0.000 1.127 318 D HN 0.148 nan 8.370 nan 0.000 0.551 319 c N 2.391 120.736 118.600 -0.424 0.000 2.822 319 c HA 0.732 5.302 4.570 -0.000 0.000 0.341 319 c C -0.618 173.066 174.090 -0.678 0.000 1.301 319 c CA -0.717 55.444 56.329 -0.280 0.000 1.706 319 c CB 0.885 43.321 42.510 -0.123 0.000 2.178 319 c HN 0.555 nan 8.230 nan 0.000 0.481 320 Y N -0.484 119.921 120.300 0.175 0.000 2.624 320 Y HA 0.524 5.074 4.550 -0.000 0.000 0.334 320 Y C -0.316 175.690 175.900 0.178 0.000 1.155 320 Y CA -0.877 57.332 58.100 0.183 0.000 1.046 320 Y CB 1.162 39.754 38.460 0.219 0.000 1.316 320 Y HN 0.567 nan 8.280 nan 0.000 0.457 321 K N 1.058 121.665 120.400 0.344 0.000 2.221 321 K HA 0.570 4.890 4.320 -0.000 0.000 0.243 321 K C -1.716 175.111 176.600 0.379 0.000 0.968 321 K CA -0.695 55.790 56.287 0.330 0.000 0.846 321 K CB 1.392 34.017 32.500 0.208 0.000 1.141 321 K HN 0.691 nan 8.250 nan 0.000 0.434 322 F N 1.878 121.941 119.950 0.189 0.000 2.411 322 F HA 0.392 4.919 4.527 -0.000 0.000 0.355 322 F C 0.163 176.004 175.800 0.067 0.000 1.117 322 F CA -0.218 57.815 58.000 0.054 0.000 1.139 322 F CB 1.283 40.034 39.000 -0.415 0.000 1.120 322 F HN 0.649 nan 8.300 nan 0.000 0.493 323 A N 7.492 130.113 122.820 -0.333 0.000 2.545 323 A HA 0.407 4.727 4.320 -0.000 0.000 0.277 323 A C -0.103 177.266 177.584 -0.357 0.000 1.301 323 A CA -0.199 51.705 52.037 -0.222 0.000 0.935 323 A CB -0.650 18.316 19.000 -0.056 0.000 1.093 323 A HN 0.650 nan 8.150 nan 0.000 0.519 324 I N 0.907 121.036 120.570 -0.736 0.000 2.433 324 I HA 0.473 4.643 4.170 -0.000 0.000 0.292 324 I C 0.220 176.247 176.117 -0.149 0.000 1.001 324 I CA -0.382 60.669 61.300 -0.415 0.000 1.119 324 I CB 2.185 39.914 38.000 -0.452 0.000 1.289 324 I HN 0.251 nan 8.210 nan 0.000 0.438 325 S N 5.091 120.675 115.700 -0.193 0.000 2.671 325 S HA 0.571 5.041 4.470 -0.000 0.000 0.277 325 S C -1.117 173.093 174.600 -0.650 0.000 1.165 325 S CA -0.927 57.012 58.200 -0.436 0.000 0.822 325 S CB 1.946 65.005 63.200 -0.235 0.000 1.150 325 S HN 0.625 nan 8.310 nan 0.000 0.479 326 Q N 0.623 119.932 119.800 -0.819 0.000 2.199 326 Q HA 0.792 5.132 4.340 -0.000 0.000 0.232 326 Q C -0.111 175.745 176.000 -0.239 0.000 0.969 326 Q CA -0.819 54.648 55.803 -0.559 0.000 0.925 326 Q CB 1.335 29.765 28.738 -0.513 0.000 1.198 326 Q HN 0.811 nan 8.270 nan 0.000 0.494 327 S N -0.855 114.765 115.700 -0.133 0.000 2.790 327 S HA 0.534 5.004 4.470 -0.000 0.000 0.292 327 S C -0.789 173.756 174.600 -0.090 0.000 1.197 327 S CA -0.032 58.108 58.200 -0.099 0.000 0.851 327 S CB 1.363 64.508 63.200 -0.091 0.000 1.217 327 S HN 0.629 nan 8.310 nan 0.000 0.526 328 S N -0.087 115.551 115.700 -0.103 0.000 2.800 328 S HA 0.152 4.622 4.470 -0.000 0.000 0.266 328 S C 0.436 174.936 174.600 -0.166 0.000 1.029 328 S CA 0.327 58.447 58.200 -0.133 0.000 1.302 328 S CB 0.585 63.734 63.200 -0.085 0.000 1.212 328 S HN 0.965 nan 8.310 nan 0.000 0.683 329 T N -0.198 114.272 114.554 -0.141 0.000 3.132 329 T HA 0.632 4.981 4.350 -0.000 0.000 0.274 329 T C 0.728 175.317 174.700 -0.185 0.000 1.011 329 T CA 0.146 62.157 62.100 -0.149 0.000 0.899 329 T CB 0.777 69.580 68.868 -0.108 0.000 1.089 329 T HN 0.768 nan 8.240 nan 0.000 0.543 330 G N 0.469 109.168 108.800 -0.167 0.000 2.347 330 G HA2 0.220 4.180 3.960 -0.000 0.000 0.341 330 G HA3 0.220 4.180 3.960 -0.000 0.000 0.341 330 G C -0.729 174.125 174.900 -0.076 0.000 1.287 330 G CA -0.762 44.261 45.100 -0.127 0.000 0.984 330 G HN 0.203 nan 8.290 nan 0.000 0.526 331 T N -0.291 114.246 114.554 -0.028 0.000 2.926 331 T HA 0.496 4.846 4.350 -0.000 0.000 0.307 331 T C 0.118 174.801 174.700 -0.028 0.000 1.059 331 T CA 0.391 62.486 62.100 -0.009 0.000 1.122 331 T CB 0.907 69.788 68.868 0.022 0.000 0.972 331 T HN 1.173 nan 8.240 nan 0.000 0.545 332 V N 4.729 124.633 119.914 -0.017 0.000 2.569 332 V HA 0.344 4.463 4.120 -0.000 0.000 0.301 332 V C -0.283 175.824 176.094 0.021 0.000 1.044 332 V CA -0.746 61.554 62.300 -0.001 0.000 0.874 332 V CB 1.760 33.578 31.823 -0.009 0.000 1.002 332 V HN 0.869 nan 8.190 nan 0.000 0.424 333 M N 4.312 123.945 119.600 0.054 0.000 2.589 333 M HA 0.428 4.908 4.480 -0.000 0.000 0.340 333 M C 0.982 177.342 176.300 0.100 0.000 1.308 333 M CA 0.044 55.390 55.300 0.076 0.000 1.332 333 M CB 0.702 33.362 32.600 0.101 0.000 1.219 333 M HN 0.834 nan 8.290 nan 0.000 0.467 334 G N 0.880 109.724 108.800 0.074 0.000 2.504 334 G HA2 0.421 4.381 3.960 -0.000 0.000 0.257 334 G HA3 0.421 4.381 3.960 -0.000 0.000 0.257 334 G C 0.889 175.847 174.900 0.097 0.000 1.451 334 G CA 0.017 45.163 45.100 0.077 0.000 1.059 334 G HN 0.691 nan 8.290 nan 0.000 0.550 335 A N -1.564 121.315 122.820 0.098 0.000 2.172 335 A HA 0.129 4.449 4.320 -0.000 0.000 0.216 335 A C 2.409 180.057 177.584 0.107 0.000 1.154 335 A CA 1.364 53.473 52.037 0.119 0.000 0.701 335 A CB -0.429 18.676 19.000 0.175 0.000 0.789 335 A HN 0.379 nan 8.150 nan 0.000 0.465 336 V N 0.422 120.389 119.914 0.089 0.000 2.261 336 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 336 V C 2.437 178.589 176.094 0.096 0.000 1.047 336 V CA 1.918 64.266 62.300 0.080 0.000 1.015 336 V CB -0.494 31.364 31.823 0.057 0.000 0.642 336 V HN 0.541 nan 8.190 nan 0.000 0.446 337 I N -0.736 119.911 120.570 0.129 0.000 2.133 337 I HA -0.247 3.923 4.170 -0.000 0.000 0.238 337 I C 2.488 178.779 176.117 0.290 0.000 1.074 337 I CA 1.942 63.377 61.300 0.226 0.000 1.342 337 I CB -1.048 37.081 38.000 0.215 0.000 1.053 337 I HN 0.292 nan 8.210 nan 0.000 0.404 338 M N 0.048 119.792 119.600 0.240 0.000 2.260 338 M HA -0.229 4.251 4.480 -0.000 0.000 0.261 338 M C 1.894 178.270 176.300 0.126 0.000 1.066 338 M CA 1.629 57.064 55.300 0.225 0.000 1.082 338 M CB -0.408 32.267 32.600 0.125 0.000 1.388 338 M HN 0.260 nan 8.290 nan 0.000 0.419 339 E N -0.610 119.629 120.200 0.066 0.000 2.358 339 E HA -0.045 4.305 4.350 -0.000 0.000 0.195 339 E C 1.993 178.567 176.600 -0.042 0.000 1.010 339 E CA 0.523 56.938 56.400 0.025 0.000 0.856 339 E CB -0.043 29.695 29.700 0.064 0.000 0.795 339 E HN 0.598 nan 8.360 nan 0.000 0.504 340 G N 0.483 109.158 108.800 -0.209 0.000 2.448 340 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.218 340 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.218 340 G C 0.302 174.685 174.900 -0.861 0.000 1.135 340 G CA 0.423 45.122 45.100 -0.668 0.000 0.784 340 G HN 0.010 nan 8.290 nan 0.000 0.543 341 F N -2.674 117.310 119.950 0.056 0.000 2.603 341 F HA 0.522 5.049 4.527 -0.000 0.000 0.317 341 F C -0.815 175.035 175.800 0.084 0.000 1.066 341 F CA -1.996 56.050 58.000 0.076 0.000 0.941 341 F CB 1.335 40.444 39.000 0.181 0.000 1.291 341 F HN -0.073 nan 8.300 nan 0.000 0.472 342 Y N 2.023 122.395 120.300 0.119 0.000 2.350 342 Y HA 0.642 5.192 4.550 -0.000 0.000 0.340 342 Y C -0.991 174.773 175.900 -0.226 0.000 1.006 342 Y CA -1.173 56.893 58.100 -0.057 0.000 1.166 342 Y CB 0.725 39.134 38.460 -0.085 0.000 1.168 342 Y HN 0.304 nan 8.280 nan 0.000 0.502 343 V N 7.321 126.861 119.914 -0.623 0.000 2.448 343 V HA 0.419 4.539 4.120 -0.000 0.000 0.295 343 V C -0.767 174.740 176.094 -0.978 0.000 1.025 343 V CA -1.006 60.762 62.300 -0.887 0.000 0.859 343 V CB 1.464 32.834 31.823 -0.756 0.000 0.988 343 V HN 0.544 nan 8.190 nan 0.000 0.431 344 V N 5.310 124.598 119.914 -1.044 0.000 2.357 344 V HA 0.426 4.546 4.120 -0.000 0.000 0.284 344 V C -0.512 175.061 176.094 -0.869 0.000 1.018 344 V CA -0.374 61.447 62.300 -0.799 0.000 0.841 344 V CB 1.282 32.755 31.823 -0.583 0.000 0.991 344 V HN 0.716 nan 8.190 nan 0.000 0.437 345 F N 2.896 122.340 119.950 -0.844 0.000 2.567 345 F HA 0.262 4.789 4.527 -0.000 0.000 0.352 345 F C 0.875 176.314 175.800 -0.602 0.000 1.229 345 F CA -0.465 56.965 58.000 -0.949 0.000 1.228 345 F CB 0.200 38.085 39.000 -1.858 0.000 1.568 345 F HN 0.431 nan 8.300 nan 0.000 0.634 346 D N 2.669 122.939 120.400 -0.216 0.000 2.517 346 D HA 0.106 4.746 4.640 -0.000 0.000 0.220 346 D C 1.353 177.680 176.300 0.045 0.000 1.158 346 D CA 0.103 54.066 54.000 -0.063 0.000 0.992 346 D CB 0.267 41.049 40.800 -0.031 0.000 1.058 346 D HN 0.421 nan 8.370 nan 0.000 0.516 347 R N 1.662 122.228 120.500 0.109 0.000 2.090 347 R HA -0.002 4.338 4.340 -0.000 0.000 0.228 347 R C 2.161 178.580 176.300 0.199 0.000 1.110 347 R CA 1.165 57.427 56.100 0.270 0.000 0.973 347 R CB -0.057 30.464 30.300 0.369 0.000 0.869 347 R HN 0.342 nan 8.270 nan 0.000 0.440 348 A N 1.159 124.067 122.820 0.147 0.000 2.032 348 A HA -0.175 4.144 4.320 -0.000 0.000 0.221 348 A C 1.618 179.235 177.584 0.056 0.000 1.165 348 A CA 1.417 53.516 52.037 0.102 0.000 0.645 348 A CB -0.208 18.843 19.000 0.084 0.000 0.807 348 A HN 0.235 nan 8.150 nan 0.000 0.453 349 R N -1.698 118.823 120.500 0.034 0.000 2.596 349 R HA 0.203 4.542 4.340 -0.000 0.000 0.369 349 R C -0.538 175.772 176.300 0.016 0.000 1.042 349 R CA -0.254 55.842 56.100 -0.007 0.000 1.120 349 R CB 0.290 30.540 30.300 -0.084 0.000 1.353 349 R HN 0.344 nan 8.270 nan 0.000 0.564 350 K N 1.948 122.389 120.400 0.069 0.000 3.689 350 K HA -0.234 4.086 4.320 -0.000 0.000 0.276 350 K C -0.856 175.803 176.600 0.098 0.000 0.932 350 K CA 1.066 57.408 56.287 0.092 0.000 0.758 350 K CB -0.973 31.555 32.500 0.047 0.000 1.500 350 K HN 0.522 nan 8.250 nan 0.000 0.448 351 R N -0.852 119.713 120.500 0.109 0.000 2.664 351 R HA 0.543 4.883 4.340 -0.000 0.000 0.260 351 R C -1.379 174.964 176.300 0.072 0.000 1.062 351 R CA -1.064 55.100 56.100 0.107 0.000 0.902 351 R CB 1.046 31.381 30.300 0.058 0.000 1.258 351 R HN 0.059 nan 8.270 nan 0.000 0.465 352 I N 1.486 122.093 120.570 0.061 0.000 2.436 352 I HA 0.516 4.686 4.170 -0.000 0.000 0.289 352 I C 0.129 176.134 176.117 -0.187 0.000 1.010 352 I CA -0.853 60.310 61.300 -0.227 0.000 1.098 352 I CB 2.372 40.135 38.000 -0.395 0.000 1.266 352 I HN 0.858 nan 8.210 nan 0.000 0.434 353 G N 5.230 113.714 108.800 -0.527 0.000 2.388 353 G HA2 0.710 4.670 3.960 -0.000 0.000 0.330 353 G HA3 0.710 4.670 3.960 -0.000 0.000 0.330 353 G C -1.307 173.094 174.900 -0.832 0.000 1.142 353 G CA -0.240 44.371 45.100 -0.815 0.000 0.908 353 G HN 0.316 nan 8.290 nan 0.000 0.473 354 F N 0.570 120.226 119.950 -0.490 0.000 2.520 354 F HA 0.730 5.257 4.527 -0.000 0.000 0.322 354 F C 0.435 176.056 175.800 -0.298 0.000 1.103 354 F CA -0.497 57.283 58.000 -0.368 0.000 0.926 354 F CB 2.791 41.587 39.000 -0.340 0.000 1.154 354 F HN 0.691 nan 8.300 nan 0.000 0.453 355 A N 1.650 124.468 122.820 -0.004 0.000 2.549 355 A HA 0.696 5.016 4.320 -0.000 0.000 0.297 355 A C -1.333 176.432 177.584 0.301 0.000 1.061 355 A CA -0.836 51.239 52.037 0.062 0.000 0.690 355 A CB 1.099 19.938 19.000 -0.268 0.000 1.287 355 A HN 0.469 nan 8.150 nan 0.000 0.402 356 V N 1.947 122.042 119.914 0.302 0.000 2.539 356 V HA 0.120 4.240 4.120 -0.000 0.000 0.300 356 V C 1.232 177.422 176.094 0.161 0.000 1.019 356 V CA 0.694 63.109 62.300 0.192 0.000 1.160 356 V CB 0.826 32.693 31.823 0.074 0.000 0.901 356 V HN 0.920 nan 8.190 nan 0.000 0.481 357 S N 4.343 120.090 115.700 0.080 0.000 2.548 357 S HA 0.389 4.859 4.470 -0.000 0.000 0.277 357 S C 1.336 176.021 174.600 0.142 0.000 1.315 357 S CA -0.173 58.105 58.200 0.130 0.000 1.050 357 S CB 1.265 64.529 63.200 0.107 0.000 0.918 357 S HN 1.000 nan 8.310 nan 0.000 0.497 358 A N 3.267 126.129 122.820 0.070 0.000 2.125 358 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 358 A C 1.847 179.454 177.584 0.038 0.000 1.156 358 A CA 1.378 53.436 52.037 0.035 0.000 0.671 358 A CB -1.058 17.924 19.000 -0.031 0.000 0.794 358 A HN 1.283 nan 8.150 nan 0.000 0.459 359 c N -1.996 116.637 118.600 0.055 0.000 3.255 359 c HA 0.369 4.939 4.570 -0.000 0.000 0.282 359 c C 1.712 175.810 174.090 0.014 0.000 1.441 359 c CA 0.254 56.597 56.329 0.024 0.000 1.785 359 c CB -1.538 40.986 42.510 0.023 0.000 2.583 359 c HN 0.740 nan 8.230 nan 0.000 0.615 360 H N 0.549 119.605 119.070 -0.024 0.000 2.563 360 H HA 0.072 4.627 4.556 -0.000 0.000 0.272 360 H C 0.780 176.092 175.328 -0.027 0.000 1.005 360 H CA 1.361 57.373 56.048 -0.060 0.000 1.171 360 H CB -0.713 28.951 29.762 -0.163 0.000 1.351 360 H HN 0.681 nan 8.280 nan 0.000 0.602 361 V N 3.199 122.957 119.914 -0.260 0.000 3.585 361 V HA -0.266 3.854 4.120 -0.000 0.000 0.489 361 V C -0.302 175.677 176.094 -0.192 0.000 0.682 361 V CA 1.100 63.290 62.300 -0.183 0.000 2.013 361 V CB -0.882 30.874 31.823 -0.111 0.000 2.442 361 V HN 0.997 nan 8.190 nan 0.000 0.504 362 H N 4.079 122.912 119.070 -0.395 0.000 4.047 362 H HA 0.942 5.498 4.556 -0.000 0.000 0.380 362 H C -0.017 175.171 175.328 -0.234 0.000 1.508 362 H CA 0.198 56.079 56.048 -0.279 0.000 1.245 362 H CB 0.832 30.474 29.762 -0.200 0.000 0.942 362 H HN 0.733 nan 8.280 nan 0.000 0.775 363 D N -1.413 118.871 120.400 -0.194 0.000 3.455 363 D HA 0.142 4.782 4.640 -0.000 0.000 0.320 363 D C 0.604 176.835 176.300 -0.115 0.000 1.401 363 D CA -0.547 53.337 54.000 -0.193 0.000 0.982 363 D CB 1.068 41.816 40.800 -0.086 0.000 1.397 363 D HN 0.361 nan 8.370 nan 0.000 0.607 364 E N -1.182 118.951 120.200 -0.110 0.000 2.102 364 E HA 0.214 4.563 4.350 -0.000 0.000 0.190 364 E C 1.387 177.815 176.600 -0.288 0.000 0.971 364 E CA 0.958 57.183 56.400 -0.292 0.000 0.821 364 E CB -0.113 29.252 29.700 -0.559 0.000 0.777 364 E HN 0.460 nan 8.360 nan 0.000 0.460 365 F N 0.258 120.233 119.950 0.041 0.000 2.148 365 F HA 0.226 4.752 4.527 -0.000 0.000 0.285 365 F C 1.638 177.475 175.800 0.062 0.000 1.092 365 F CA 0.629 58.659 58.000 0.050 0.000 1.218 365 F CB -0.384 38.645 39.000 0.049 0.000 1.059 365 F HN -0.253 nan 8.300 nan 0.000 0.490 366 R N -0.236 120.438 120.500 0.290 0.000 2.527 366 R HA 0.560 4.900 4.340 -0.000 0.000 0.236 366 R C -0.481 175.920 176.300 0.168 0.000 1.257 366 R CA 0.073 56.286 56.100 0.189 0.000 1.088 366 R CB 0.444 30.837 30.300 0.156 0.000 1.396 366 R HN 0.088 nan 8.270 nan 0.000 0.571 367 T N -1.419 113.216 114.554 0.135 0.000 3.142 367 T HA 0.270 4.620 4.350 -0.000 0.000 0.379 367 T C -1.831 172.892 174.700 0.038 0.000 1.820 367 T CA -0.373 61.813 62.100 0.143 0.000 1.086 367 T CB 0.689 69.602 68.868 0.075 0.000 1.723 367 T HN 0.703 nan 8.240 nan 0.000 0.496 368 A N 2.310 125.073 122.820 -0.095 0.000 2.488 368 A HA 0.758 5.078 4.320 -0.000 0.000 0.249 368 A C 0.650 178.118 177.584 -0.193 0.000 1.083 368 A CA 0.457 52.303 52.037 -0.319 0.000 0.768 368 A CB -0.246 18.256 19.000 -0.830 0.000 1.017 368 A HN 1.588 nan 8.150 nan 0.000 0.496 369 A N 1.811 124.644 122.820 0.021 0.000 2.527 369 A HA 0.741 5.060 4.320 -0.000 0.000 0.293 369 A C -1.007 176.679 177.584 0.171 0.000 1.117 369 A CA -0.508 51.580 52.037 0.083 0.000 0.723 369 A CB 1.597 20.621 19.000 0.040 0.000 1.313 369 A HN 1.270 nan 8.150 nan 0.000 0.411 370 V N 1.407 121.391 119.914 0.116 0.000 2.483 370 V HA 0.523 4.643 4.120 -0.000 0.000 0.297 370 V C -0.648 175.388 176.094 -0.096 0.000 1.027 370 V CA -0.374 61.940 62.300 0.023 0.000 0.855 370 V CB 1.275 33.160 31.823 0.102 0.000 0.995 370 V HN 0.942 nan 8.190 nan 0.000 0.424 371 E N 2.622 122.665 120.200 -0.262 0.000 2.314 371 E HA 0.825 5.174 4.350 -0.000 0.000 0.272 371 E C -0.108 176.070 176.600 -0.704 0.000 0.884 371 E CA -0.707 55.492 56.400 -0.334 0.000 0.753 371 E CB 3.002 32.665 29.700 -0.062 0.000 1.213 371 E HN 0.869 nan 8.360 nan 0.000 0.432 372 G N 1.762 109.943 108.800 -1.032 0.000 2.548 372 G HA2 0.510 4.470 3.960 -0.000 0.000 0.301 372 G HA3 0.510 4.470 3.960 -0.000 0.000 0.301 372 G C -2.915 171.629 174.900 -0.593 0.000 1.349 372 G CA -0.769 43.602 45.100 -1.215 0.000 0.792 372 G HN 0.375 nan 8.290 nan 0.000 0.481 373 P HA 0.747 nan 4.420 nan 0.000 0.281 373 P C -1.443 175.565 177.300 -0.488 0.000 1.264 373 P CA -0.457 62.499 63.100 -0.240 0.000 0.824 373 P CB 1.465 33.242 31.700 0.129 0.000 1.092 374 F N -1.339 118.633 119.950 0.036 0.000 2.618 374 F HA 0.408 4.935 4.527 -0.001 0.000 0.332 374 F C 0.010 175.860 175.800 0.082 0.000 1.061 374 F CA -1.036 57.007 58.000 0.072 0.000 0.974 374 F CB 1.596 40.675 39.000 0.132 0.000 1.310 374 F HN -0.085 nan 8.300 nan 0.000 0.491 375 V N 1.104 121.190 119.914 0.286 0.000 2.333 375 V HA 0.468 4.588 4.120 -0.000 0.000 0.274 375 V C -0.609 175.557 176.094 0.120 0.000 1.028 375 V CA -0.390 62.008 62.300 0.163 0.000 0.851 375 V CB 0.827 32.718 31.823 0.114 0.000 1.000 375 V HN 0.766 nan 8.190 nan 0.000 0.456 376 T N 6.302 120.913 114.554 0.095 0.000 2.890 376 T HA 0.532 4.882 4.350 -0.000 0.000 0.295 376 T C -0.275 174.448 174.700 0.039 0.000 0.993 376 T CA -0.440 61.684 62.100 0.040 0.000 0.979 376 T CB 1.047 69.933 68.868 0.030 0.000 0.967 376 T HN 0.345 nan 8.240 nan 0.000 0.441 377 L N 3.098 124.334 121.223 0.021 0.000 2.397 377 L HA 0.315 4.654 4.340 -0.000 0.000 0.271 377 L C 0.164 177.043 176.870 0.016 0.000 1.148 377 L CA -0.228 54.625 54.840 0.020 0.000 0.825 377 L CB 0.182 42.248 42.059 0.012 0.000 1.117 377 L HN 0.745 nan 8.230 nan 0.000 0.456 378 D N 2.096 122.508 120.400 0.021 0.000 2.767 378 D HA -0.183 4.457 4.640 -0.000 0.000 0.239 378 D C 0.967 177.281 176.300 0.023 0.000 1.103 378 D CA 0.611 54.622 54.000 0.017 0.000 0.710 378 D CB -0.651 40.153 40.800 0.007 0.000 1.084 378 D HN 0.620 nan 8.370 nan 0.000 0.435 379 M N -0.403 119.217 119.600 0.034 0.000 2.175 379 M HA -0.135 4.344 4.480 -0.000 0.000 0.264 379 M C 2.059 178.386 176.300 0.046 0.000 1.063 379 M CA 1.424 56.749 55.300 0.042 0.000 1.119 379 M CB -0.133 32.500 32.600 0.055 0.000 1.377 379 M HN 0.009 nan 8.290 nan 0.000 0.415 380 E N 0.524 120.750 120.200 0.042 0.000 2.268 380 E HA -0.168 4.181 4.350 -0.000 0.000 0.195 380 E C 1.157 177.778 176.600 0.036 0.000 0.995 380 E CA 0.791 57.215 56.400 0.040 0.000 0.836 380 E CB 0.072 29.791 29.700 0.031 0.000 0.763 380 E HN 0.366 nan 8.360 nan 0.000 0.491 381 D N -0.773 119.644 120.400 0.028 0.000 2.348 381 D HA -0.076 4.564 4.640 -0.000 0.000 0.216 381 D C 1.243 177.563 176.300 0.034 0.000 0.970 381 D CA 0.428 54.442 54.000 0.023 0.000 0.889 381 D CB -0.072 40.734 40.800 0.009 0.000 0.912 381 D HN 0.278 nan 8.370 nan 0.000 0.524 382 c N 0.810 119.437 118.600 0.045 0.000 2.448 382 c HA 0.166 4.735 4.570 -0.000 0.000 0.280 382 c C 1.798 175.945 174.090 0.095 0.000 1.398 382 c CA -0.134 56.230 56.329 0.059 0.000 1.774 382 c CB -1.033 41.521 42.510 0.072 0.000 1.888 382 c HN 0.249 nan 8.230 nan 0.000 0.519 383 G N -1.293 107.566 108.800 0.099 0.000 2.712 383 G HA2 0.314 4.274 3.960 -0.000 0.000 0.258 383 G HA3 0.314 4.274 3.960 -0.000 0.000 0.258 383 G C -1.024 173.996 174.900 0.198 0.000 1.241 383 G CA 0.158 45.339 45.100 0.135 0.000 0.923 383 G HN 0.446 nan 8.290 nan 0.000 0.548 384 Y N -0.775 119.566 120.300 0.067 0.000 2.470 384 Y HA 0.429 4.978 4.550 -0.000 0.000 0.341 384 Y C 0.241 176.176 175.900 0.057 0.000 1.021 384 Y CA -1.046 57.098 58.100 0.073 0.000 1.025 384 Y CB 1.779 40.322 38.460 0.139 0.000 1.266 384 Y HN 0.516 nan 8.280 nan 0.000 0.448 385 N N 3.983 122.105 118.700 -0.963 0.000 2.380 385 N HA 0.555 5.295 4.740 -0.000 0.000 0.227 385 N C -0.349 174.586 175.510 -0.957 0.000 1.139 385 N CA 1.081 53.667 53.050 -0.774 0.000 0.843 385 N CB 1.582 39.858 38.487 -0.351 0.000 1.327 385 N HN 0.645 nan 8.380 nan 0.000 0.470 386 I N 0.000 119.943 120.570 -1.045 0.000 2.984 386 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 386 I CA 0.000 nan 61.300 nan 0.000 1.566 386 I CB 0.000 nan 38.000 nan 0.000 1.214 386 I HN 0.000 nan 8.210 nan 0.000 0.494