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 2q4g_1_Y DATA FIRST_RESID 1 DATA SEQUENCE SLDIQSLDIQ CEELSDARWA ELLPLLQQCQ VVRLDDCGLT EARCKDISSA DATA SEQUENCE LRVNPALAEL NLRSNELGDV GVHCVLQGLQ TPSCKIQKLS LQNCCLTGAG DATA SEQUENCE CGVLSSTLRT LPTLQELHLS DNLLGDAGLQ LLCEGLLDPQ CRLEKLQLEY DATA SEQUENCE CSLSAASCEP LASVLRAKPD FKELTVSNND INEAGVRVLC QGLKDSPCQL DATA SEQUENCE EALKLESCGV TSDNCRDLCG IVASKASLRE LALGSNKLGD VGMAELCPGL DATA SEQUENCE LHPSSRLRTL WIWECGITAK GCGDLCRVLR AKESLKELSL AGNELGDEGA DATA SEQUENCE RLLCETLLEP GCQLESLWVK SCSFTAACCS HFSSVLAQNR FLLELQISNN DATA SEQUENCE RLEDAGVREL CQGLGQPGSV LRVLWLADCD VSDSSCSSLA ATLLANHSLR DATA SEQUENCE ELDLSNNCLG DAGILQLVES VRQPGCLLEQ LVLYDIYWSE EMEDRLQALE DATA SEQUENCE KDKPSLRVIS 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.598 174.600 -0.004 0.000 1.055 1 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 1 S CB 0.000 63.198 63.200 -0.004 0.000 0.593 2 L N 1.799 123.019 121.223 -0.004 0.000 2.313 2 L HA 0.767 5.107 4.340 0.000 0.000 0.268 2 L C -0.473 176.393 176.870 -0.006 0.000 1.010 2 L CA -0.665 54.172 54.840 -0.005 0.000 0.814 2 L CB 1.585 43.642 42.059 -0.004 0.000 1.304 2 L HN 0.903 nan 8.230 nan 0.000 0.441 3 D N 1.749 122.145 120.400 -0.007 0.000 3.100 3 D HA 0.245 4.885 4.640 0.000 0.000 0.350 3 D C -0.357 175.938 176.300 -0.009 0.000 1.310 3 D CA -0.258 53.737 54.000 -0.008 0.000 0.741 3 D CB 0.339 41.133 40.800 -0.009 0.000 1.248 3 D HN 0.252 nan 8.370 nan 0.000 0.527 4 I N 1.374 121.940 120.570 -0.007 0.000 2.683 4 I HA -0.001 4.169 4.170 0.000 0.000 0.286 4 I C 0.634 176.747 176.117 -0.008 0.000 1.175 4 I CA 0.740 62.036 61.300 -0.007 0.000 1.429 4 I CB 0.515 38.512 38.000 -0.005 0.000 1.371 4 I HN 0.030 nan 8.210 nan 0.000 0.569 5 Q N 4.634 124.428 119.800 -0.009 0.000 2.416 5 Q HA 0.647 4.987 4.340 0.000 0.000 0.281 5 Q C -1.202 174.792 176.000 -0.010 0.000 1.067 5 Q CA -0.890 54.907 55.803 -0.010 0.000 0.809 5 Q CB 2.735 31.464 28.738 -0.015 0.000 1.418 5 Q HN 0.797 nan 8.270 nan 0.000 0.411 6 S N 0.720 116.416 115.700 -0.008 0.000 2.550 6 S HA 0.820 5.290 4.470 0.000 0.000 0.270 6 S C -1.851 172.748 174.600 -0.003 0.000 1.145 6 S CA -0.776 57.422 58.200 -0.005 0.000 0.852 6 S CB 1.831 65.030 63.200 -0.001 0.000 1.119 6 S HN 0.486 nan 8.310 nan 0.000 0.465 7 L N 1.533 122.756 121.223 0.000 0.000 2.464 7 L HA 0.845 5.185 4.340 0.000 0.000 0.266 7 L C -2.132 174.748 176.870 0.017 0.000 0.965 7 L CA -0.125 54.718 54.840 0.006 0.000 0.833 7 L CB 2.134 44.192 42.059 -0.002 0.000 1.296 7 L HN 0.976 nan 8.230 nan 0.000 0.405 8 D N 5.206 125.619 120.400 0.023 0.000 2.575 8 D HA 0.417 5.057 4.640 0.000 0.000 0.250 8 D C -1.433 174.889 176.300 0.036 0.000 1.279 8 D CA -0.037 53.980 54.000 0.029 0.000 0.925 8 D CB 1.035 41.850 40.800 0.025 0.000 1.261 8 D HN 0.523 nan 8.370 nan 0.000 0.567 9 I N 3.498 124.096 120.570 0.047 0.000 2.437 9 I HA 0.242 4.412 4.170 0.000 0.000 0.279 9 I C -0.001 176.144 176.117 0.047 0.000 1.028 9 I CA -0.612 60.720 61.300 0.053 0.000 1.142 9 I CB 1.442 39.487 38.000 0.075 0.000 1.266 9 I HN 0.137 nan 8.210 nan 0.000 0.461 10 Q N 4.191 124.014 119.800 0.038 0.000 2.256 10 Q HA 0.373 4.713 4.340 0.000 0.000 0.257 10 Q C -0.214 175.803 176.000 0.028 0.000 0.936 10 Q CA -0.767 55.056 55.803 0.032 0.000 0.903 10 Q CB 2.289 31.044 28.738 0.030 0.000 1.263 10 Q HN 0.739 nan 8.270 nan 0.000 0.440 11 C N 2.595 121.907 119.300 0.021 0.000 2.272 11 C HA -0.183 4.277 4.460 0.000 0.000 0.207 11 C C 0.357 175.358 174.990 0.018 0.000 1.209 11 C CA 0.822 59.849 59.018 0.015 0.000 2.807 11 C CB -2.234 25.513 27.740 0.012 0.000 1.686 11 C HN 0.858 nan 8.230 nan 0.000 0.301 12 E N 1.069 121.280 120.200 0.019 0.000 2.392 12 E HA 0.455 4.805 4.350 0.000 0.000 0.279 12 E C -0.798 175.812 176.600 0.017 0.000 0.964 12 E CA -0.562 55.852 56.400 0.023 0.000 0.777 12 E CB 1.260 30.981 29.700 0.036 0.000 1.249 12 E HN 0.583 nan 8.360 nan 0.000 0.449 13 E N 4.703 124.913 120.200 0.016 0.000 2.109 13 E HA 0.286 4.636 4.350 0.000 0.000 0.278 13 E C -0.803 175.812 176.600 0.025 0.000 0.954 13 E CA -0.518 55.887 56.400 0.009 0.000 0.779 13 E CB 0.762 30.464 29.700 0.003 0.000 1.093 13 E HN 0.346 nan 8.360 nan 0.000 0.401 14 L N 2.622 123.862 121.223 0.029 0.000 2.282 14 L HA 0.269 4.610 4.340 0.000 0.000 0.288 14 L C 0.807 177.712 176.870 0.060 0.000 1.033 14 L CA -0.849 54.032 54.840 0.069 0.000 0.807 14 L CB 1.443 43.581 42.059 0.131 0.000 1.209 14 L HN 0.592 nan 8.230 nan 0.000 0.423 15 S N 0.351 116.093 115.700 0.069 0.000 2.626 15 S HA 0.122 4.592 4.470 0.000 0.000 0.257 15 S C 0.573 175.235 174.600 0.102 0.000 1.288 15 S CA -0.581 57.655 58.200 0.061 0.000 0.980 15 S CB 0.945 64.176 63.200 0.051 0.000 0.975 15 S HN 0.603 nan 8.310 nan 0.000 0.577 16 D N 0.869 121.320 120.400 0.086 0.000 2.144 16 D HA 0.028 4.668 4.640 0.000 0.000 0.200 16 D C 2.155 178.544 176.300 0.148 0.000 0.978 16 D CA 1.595 55.672 54.000 0.127 0.000 0.833 16 D CB -0.833 40.017 40.800 0.083 0.000 0.961 16 D HN 0.660 nan 8.370 nan 0.000 0.470 17 A N 0.839 123.716 122.820 0.095 0.000 1.930 17 A HA -0.149 4.171 4.320 0.000 0.000 0.217 17 A C 2.186 179.815 177.584 0.075 0.000 1.175 17 A CA 1.471 53.551 52.037 0.071 0.000 0.627 17 A CB -0.312 18.715 19.000 0.045 0.000 0.815 17 A HN 0.057 nan 8.150 nan 0.000 0.443 18 R N -0.792 119.767 120.500 0.097 0.000 2.075 18 R HA -0.142 4.198 4.340 0.000 0.000 0.232 18 R C 2.027 178.407 176.300 0.134 0.000 1.126 18 R CA 1.752 57.909 56.100 0.096 0.000 0.963 18 R CB -0.733 29.629 30.300 0.103 0.000 0.858 18 R HN 0.783 nan 8.270 nan 0.000 0.435 19 W N 0.708 122.009 121.300 0.001 0.000 2.353 19 W HA -0.206 4.454 4.660 0.000 0.000 0.319 19 W C 1.725 178.244 176.519 -0.001 0.000 1.207 19 W CA 1.726 59.071 57.345 -0.000 0.000 1.291 19 W CB -0.479 28.981 29.460 -0.000 0.000 1.159 19 W HN 0.275 nan 8.180 nan 0.000 0.478 20 A N 1.011 123.844 122.820 0.022 0.000 1.927 20 A HA -0.288 4.032 4.320 0.000 0.000 0.220 20 A C 1.684 179.175 177.584 -0.156 0.000 1.185 20 A CA 2.153 54.133 52.037 -0.096 0.000 0.639 20 A CB -1.113 17.897 19.000 0.016 0.000 0.820 20 A HN 0.563 nan 8.150 nan 0.000 0.451 21 E N -0.676 119.469 120.200 -0.092 0.000 2.511 21 E HA 0.093 4.443 4.350 0.000 0.000 0.196 21 E C 1.352 177.872 176.600 -0.133 0.000 1.066 21 E CA 0.034 56.381 56.400 -0.088 0.000 0.871 21 E CB -0.058 29.622 29.700 -0.035 0.000 0.863 21 E HN 0.637 nan 8.360 nan 0.000 0.520 22 L N -0.395 120.684 121.223 -0.240 0.000 2.316 22 L HA -0.024 4.317 4.340 0.000 0.000 0.207 22 L C 1.801 178.463 176.870 -0.348 0.000 1.070 22 L CA 0.049 54.723 54.840 -0.277 0.000 0.820 22 L CB -0.053 41.807 42.059 -0.331 0.000 0.992 22 L HN 0.158 nan 8.230 nan 0.000 0.466 23 L N 0.766 121.698 121.223 -0.485 0.000 2.034 23 L HA -0.216 4.125 4.340 0.000 0.000 0.217 23 L C -0.390 176.348 176.870 -0.219 0.000 1.077 23 L CA 2.454 57.058 54.840 -0.394 0.000 0.769 23 L CB -2.100 39.741 42.059 -0.364 0.000 0.890 23 L HN 0.152 nan 8.230 nan 0.000 0.435 24 P HA -0.172 nan 4.420 nan 0.000 0.216 24 P C 1.782 179.024 177.300 -0.096 0.000 1.150 24 P CA 1.141 64.176 63.100 -0.108 0.000 0.843 24 P CB 0.002 31.650 31.700 -0.087 0.000 0.787 25 L N -1.699 119.459 121.223 -0.109 0.000 2.141 25 L HA -0.113 4.227 4.340 0.000 0.000 0.209 25 L C 2.262 179.083 176.870 -0.082 0.000 1.094 25 L CA 1.538 56.327 54.840 -0.085 0.000 0.763 25 L CB -1.452 40.557 42.059 -0.083 0.000 0.908 25 L HN -0.038 nan 8.230 nan 0.000 0.437 26 L N -1.159 119.996 121.223 -0.113 0.000 2.465 26 L HA -0.109 4.231 4.340 0.000 0.000 0.224 26 L C 2.087 178.919 176.870 -0.063 0.000 1.145 26 L CA 0.652 55.439 54.840 -0.089 0.000 0.834 26 L CB -0.467 41.519 42.059 -0.122 0.000 0.944 26 L HN 0.414 nan 8.230 nan 0.000 0.451 27 Q N -0.523 119.237 119.800 -0.067 0.000 2.408 27 Q HA -0.035 4.305 4.340 0.000 0.000 0.205 27 Q C 1.415 177.392 176.000 -0.038 0.000 0.919 27 Q CA 0.516 56.290 55.803 -0.049 0.000 0.932 27 Q CB 0.452 29.159 28.738 -0.052 0.000 1.058 27 Q HN 0.611 nan 8.270 nan 0.000 0.517 28 Q N -1.205 118.571 119.800 -0.040 0.000 2.288 28 Q HA 0.157 4.497 4.340 0.000 0.000 0.256 28 Q C 0.226 176.210 176.000 -0.026 0.000 0.835 28 Q CA -0.144 55.641 55.803 -0.030 0.000 0.958 28 Q CB 1.042 29.761 28.738 -0.031 0.000 1.125 28 Q HN 0.127 nan 8.270 nan 0.000 0.513 29 C N 2.673 121.956 119.300 -0.028 0.000 2.648 29 C HA 0.004 4.464 4.460 0.000 0.000 0.419 29 C C 1.856 176.836 174.990 -0.017 0.000 1.352 29 C CA 0.098 59.103 59.018 -0.022 0.000 1.816 29 C CB 0.406 28.133 27.740 -0.022 0.000 2.598 29 C HN 0.545 nan 8.230 nan 0.000 0.598 30 Q N 2.189 121.980 119.800 -0.014 0.000 2.123 30 Q HA -0.010 4.330 4.340 0.000 0.000 0.199 30 Q C 0.025 176.018 176.000 -0.012 0.000 0.966 30 Q CA 1.366 57.162 55.803 -0.012 0.000 0.845 30 Q CB 0.321 29.053 28.738 -0.010 0.000 0.907 30 Q HN 0.683 nan 8.270 nan 0.000 0.439 31 V N 1.411 121.319 119.914 -0.010 0.000 2.487 31 V HA 0.383 4.504 4.120 0.000 0.000 0.298 31 V C -0.851 175.240 176.094 -0.005 0.000 1.028 31 V CA -0.715 61.580 62.300 -0.009 0.000 0.860 31 V CB 1.877 33.696 31.823 -0.007 0.000 0.991 31 V HN -0.040 nan 8.190 nan 0.000 0.427 32 V N 5.741 125.654 119.914 -0.002 0.000 2.443 32 V HA 0.572 4.692 4.120 0.000 0.000 0.293 32 V C -0.169 175.935 176.094 0.017 0.000 1.021 32 V CA -0.642 61.663 62.300 0.008 0.000 0.848 32 V CB 1.823 33.652 31.823 0.009 0.000 0.998 32 V HN 0.874 nan 8.190 nan 0.000 0.424 33 R N 5.451 125.967 120.500 0.026 0.000 2.451 33 R HA 0.699 5.039 4.340 0.000 0.000 0.307 33 R C -1.800 174.530 176.300 0.050 0.000 0.965 33 R CA -0.632 55.487 56.100 0.032 0.000 0.865 33 R CB 1.298 31.612 30.300 0.025 0.000 1.174 33 R HN 0.713 nan 8.270 nan 0.000 0.455 34 L N 4.446 125.706 121.223 0.062 0.000 2.417 34 L HA 0.327 4.667 4.340 0.000 0.000 0.259 34 L C -0.937 175.966 176.870 0.055 0.000 1.023 34 L CA -0.741 54.148 54.840 0.081 0.000 0.901 34 L CB 1.548 43.686 42.059 0.132 0.000 1.227 34 L HN 0.533 nan 8.230 nan 0.000 0.454 35 D N 3.134 123.560 120.400 0.044 0.000 2.329 35 D HA 0.133 4.773 4.640 0.000 0.000 0.232 35 D C 0.090 176.403 176.300 0.022 0.000 1.088 35 D CA 0.067 54.086 54.000 0.031 0.000 0.835 35 D CB 1.184 42.002 40.800 0.031 0.000 1.078 35 D HN 0.443 nan 8.370 nan 0.000 0.495 36 D N 2.888 123.294 120.400 0.011 0.000 2.746 36 D HA -0.215 4.425 4.640 0.000 0.000 0.241 36 D C -0.589 175.711 176.300 -0.001 0.000 1.140 36 D CA 0.350 54.350 54.000 -0.000 0.000 0.707 36 D CB -1.297 39.504 40.800 0.001 0.000 1.034 36 D HN 0.312 nan 8.370 nan 0.000 0.423 37 C N 0.795 120.091 119.300 -0.007 0.000 2.741 37 C HA 0.659 5.119 4.460 0.000 0.000 0.267 37 C C 1.744 176.699 174.990 -0.059 0.000 1.549 37 C CA -0.139 58.872 59.018 -0.012 0.000 1.772 37 C CB -0.279 27.475 27.740 0.023 0.000 2.962 37 C HN 0.886 nan 8.230 nan 0.000 0.514 38 G N 1.850 110.613 108.800 -0.062 0.000 2.321 38 G HA2 -0.266 3.694 3.960 0.000 0.000 0.287 38 G HA3 -0.266 3.694 3.960 0.000 0.000 0.287 38 G C 0.104 174.917 174.900 -0.146 0.000 1.018 38 G CA 0.028 45.074 45.100 -0.089 0.000 0.855 38 G HN 0.668 nan 8.290 nan 0.000 0.507 39 L N 1.004 122.136 121.223 -0.151 0.000 2.525 39 L HA 0.283 4.623 4.340 0.000 0.000 0.278 39 L C 1.484 178.252 176.870 -0.171 0.000 1.218 39 L CA 0.770 55.479 54.840 -0.218 0.000 0.878 39 L CB 0.287 42.260 42.059 -0.143 0.000 1.127 39 L HN 0.448 nan 8.230 nan 0.000 0.492 40 T N -1.574 112.852 114.554 -0.214 0.000 2.929 40 T HA 0.252 4.602 4.350 0.000 0.000 0.284 40 T C 0.848 175.488 174.700 -0.099 0.000 1.014 40 T CA -0.938 61.077 62.100 -0.143 0.000 1.051 40 T CB 1.733 70.508 68.868 -0.156 0.000 1.028 40 T HN 0.621 nan 8.240 nan 0.000 0.485 41 E N 1.197 121.360 120.200 -0.060 0.000 2.097 41 E HA -0.199 4.151 4.350 0.000 0.000 0.196 41 E C 2.385 178.969 176.600 -0.027 0.000 1.000 41 E CA 1.341 57.722 56.400 -0.032 0.000 0.804 41 E CB -0.399 29.290 29.700 -0.019 0.000 0.740 41 E HN 0.828 nan 8.360 nan 0.000 0.454 42 A N 1.535 124.333 122.820 -0.036 0.000 1.902 42 A HA -0.164 4.156 4.320 0.000 0.000 0.217 42 A C 2.024 179.602 177.584 -0.010 0.000 1.181 42 A CA 1.104 53.128 52.037 -0.021 0.000 0.623 42 A CB -0.416 18.570 19.000 -0.024 0.000 0.818 42 A HN 0.072 nan 8.150 nan 0.000 0.443 43 R N -1.042 119.425 120.500 -0.054 0.000 2.355 43 R HA -0.133 4.207 4.340 0.000 0.000 0.219 43 R C 1.924 178.266 176.300 0.069 0.000 1.107 43 R CA 0.860 56.941 56.100 -0.031 0.000 1.021 43 R CB -0.810 29.310 30.300 -0.300 0.000 0.852 43 R HN 0.643 nan 8.270 nan 0.000 0.475 44 C N 0.620 119.939 119.300 0.031 0.000 2.432 44 C HA -0.094 4.367 4.460 0.000 0.000 0.277 44 C C 2.313 177.339 174.990 0.061 0.000 1.249 44 C CA 0.804 59.852 59.018 0.049 0.000 1.725 44 C CB -0.456 27.297 27.740 0.022 0.000 2.028 44 C HN 0.479 nan 8.230 nan 0.000 0.477 45 K N 0.438 120.864 120.400 0.042 0.000 2.074 45 K HA -0.199 4.121 4.320 0.000 0.000 0.209 45 K C 1.504 178.142 176.600 0.063 0.000 1.048 45 K CA 1.776 58.083 56.287 0.033 0.000 0.926 45 K CB -0.383 32.129 32.500 0.021 0.000 0.713 45 K HN 0.447 nan 8.250 nan 0.000 0.444 46 D N 0.833 121.301 120.400 0.113 0.000 2.178 46 D HA -0.092 4.548 4.640 0.000 0.000 0.201 46 D C 1.801 178.181 176.300 0.133 0.000 0.980 46 D CA 0.866 54.954 54.000 0.148 0.000 0.842 46 D CB -0.036 40.940 40.800 0.293 0.000 0.948 46 D HN 0.209 nan 8.370 nan 0.000 0.472 47 I N -0.327 120.341 120.570 0.164 0.000 2.277 47 I HA -0.195 3.975 4.170 0.000 0.000 0.243 47 I C 2.478 178.633 176.117 0.062 0.000 1.094 47 I CA 0.486 61.866 61.300 0.133 0.000 1.393 47 I CB -0.281 37.816 38.000 0.163 0.000 1.078 47 I HN -0.082 nan 8.210 nan 0.000 0.417 48 S N 0.888 116.618 115.700 0.050 0.000 2.365 48 S HA -0.256 4.214 4.470 0.000 0.000 0.221 48 S C 2.360 176.968 174.600 0.012 0.000 1.037 48 S CA 2.446 60.660 58.200 0.023 0.000 1.060 48 S CB -0.456 62.748 63.200 0.006 0.000 0.974 48 S HN 0.608 nan 8.310 nan 0.000 0.427 49 S N 1.756 117.463 115.700 0.012 0.000 2.370 49 S HA -0.070 4.400 4.470 0.000 0.000 0.226 49 S C 2.094 176.691 174.600 -0.005 0.000 1.033 49 S CA 1.533 59.734 58.200 0.002 0.000 1.011 49 S CB -1.073 62.129 63.200 0.003 0.000 0.852 49 S HN 0.702 nan 8.310 nan 0.000 0.457 50 A N 2.107 124.922 122.820 -0.008 0.000 1.883 50 A HA 0.101 4.421 4.320 0.000 0.000 0.217 50 A C 2.414 179.985 177.584 -0.022 0.000 1.186 50 A CA 1.623 53.644 52.037 -0.028 0.000 0.624 50 A CB -0.955 18.014 19.000 -0.051 0.000 0.822 50 A HN 0.584 nan 8.150 nan 0.000 0.444 51 L N -1.189 120.029 121.223 -0.008 0.000 2.141 51 L HA -0.137 4.203 4.340 0.000 0.000 0.209 51 L C 2.714 179.580 176.870 -0.005 0.000 1.094 51 L CA 1.377 56.214 54.840 -0.005 0.000 0.763 51 L CB -0.497 41.566 42.059 0.006 0.000 0.908 51 L HN 0.466 nan 8.230 nan 0.000 0.437 52 R N 0.654 121.152 120.500 -0.004 0.000 2.117 52 R HA -0.162 4.178 4.340 0.000 0.000 0.243 52 R C 1.871 178.166 176.300 -0.007 0.000 1.143 52 R CA 1.998 58.095 56.100 -0.004 0.000 0.968 52 R CB -0.064 30.233 30.300 -0.004 0.000 0.863 52 R HN 0.423 nan 8.270 nan 0.000 0.444 53 V N -1.340 118.567 119.914 -0.012 0.000 3.647 53 V HA 0.153 4.273 4.120 0.000 0.000 0.279 53 V C 0.374 176.459 176.094 -0.015 0.000 1.314 53 V CA -0.382 61.910 62.300 -0.013 0.000 1.125 53 V CB -0.461 31.352 31.823 -0.016 0.000 0.907 53 V HN 0.148 nan 8.190 nan 0.000 0.434 54 N N 3.835 122.525 118.700 -0.016 0.000 2.431 54 N HA 0.171 4.911 4.740 0.000 0.000 0.265 54 N C -1.908 173.595 175.510 -0.013 0.000 1.184 54 N CA -1.216 51.824 53.050 -0.017 0.000 0.943 54 N CB 1.461 39.938 38.487 -0.017 0.000 1.080 54 N HN 0.338 nan 8.380 nan 0.000 0.477 55 P HA 0.260 nan 4.420 nan 0.000 0.227 55 P C -0.678 176.616 177.300 -0.010 0.000 1.801 55 P CA -0.012 63.082 63.100 -0.010 0.000 0.971 55 P CB 0.134 31.828 31.700 -0.010 0.000 1.653 56 A N -0.418 122.395 122.820 -0.010 0.000 2.353 56 A HA 0.085 4.405 4.320 0.000 0.000 0.211 56 A C -0.114 177.464 177.584 -0.011 0.000 2.295 56 A CA -0.357 51.674 52.037 -0.010 0.000 1.379 56 A CB -0.864 18.130 19.000 -0.010 0.000 0.809 56 A HN 0.212 nan 8.150 nan 0.000 0.491 57 L N 1.176 122.392 121.223 -0.011 0.000 2.654 57 L HA 0.471 4.811 4.340 0.000 0.000 0.271 57 L C 1.095 177.958 176.870 -0.012 0.000 1.169 57 L CA 1.218 56.052 54.840 -0.011 0.000 0.947 57 L CB 0.743 42.797 42.059 -0.009 0.000 1.232 57 L HN 0.498 nan 8.230 nan 0.000 0.486 58 A N 4.337 127.148 122.820 -0.014 0.000 1.970 58 A HA 0.276 4.596 4.320 0.000 0.000 0.204 58 A C 0.479 178.048 177.584 -0.025 0.000 1.325 58 A CA 0.076 52.102 52.037 -0.018 0.000 0.767 58 A CB 0.049 19.038 19.000 -0.017 0.000 0.949 58 A HN 0.690 nan 8.150 nan 0.000 0.481 59 E N -0.355 119.830 120.200 -0.025 0.000 2.191 59 E HA 0.526 4.876 4.350 0.000 0.000 0.263 59 E C -1.989 174.596 176.600 -0.026 0.000 0.881 59 E CA -0.564 55.815 56.400 -0.034 0.000 0.757 59 E CB 2.243 31.921 29.700 -0.036 0.000 1.147 59 E HN 0.176 nan 8.360 nan 0.000 0.414 60 L N 3.944 125.148 121.223 -0.032 0.000 2.353 60 L HA 0.352 4.692 4.340 0.000 0.000 0.270 60 L C -1.228 175.628 176.870 -0.023 0.000 1.003 60 L CA -0.373 54.458 54.840 -0.015 0.000 0.862 60 L CB 0.955 43.010 42.059 -0.007 0.000 1.221 60 L HN 0.380 nan 8.230 nan 0.000 0.430 61 N N 5.599 124.293 118.700 -0.009 0.000 2.524 61 N HA 0.341 5.082 4.740 0.000 0.000 0.261 61 N C -0.840 174.683 175.510 0.022 0.000 0.998 61 N CA -0.308 52.739 53.050 -0.005 0.000 0.915 61 N CB 1.188 39.671 38.487 -0.007 0.000 1.187 61 N HN 0.651 nan 8.380 nan 0.000 0.507 62 L N 2.895 124.135 121.223 0.027 0.000 3.094 62 L HA 0.369 4.709 4.340 0.000 0.000 0.254 62 L C 0.995 177.885 176.870 0.033 0.000 1.298 62 L CA -0.513 54.349 54.840 0.037 0.000 1.050 62 L CB 0.022 42.104 42.059 0.039 0.000 1.420 62 L HN 0.291 nan 8.230 nan 0.000 0.548 63 R N 1.181 121.703 120.500 0.036 0.000 2.494 63 R HA -0.023 4.317 4.340 0.000 0.000 0.291 63 R C 0.062 176.376 176.300 0.024 0.000 0.953 63 R CA 0.493 56.615 56.100 0.037 0.000 1.098 63 R CB 0.225 30.551 30.300 0.043 0.000 0.911 63 R HN 0.370 nan 8.270 nan 0.000 0.407 64 S N 3.232 118.942 115.700 0.018 0.000 3.441 64 S HA -0.167 4.303 4.470 0.000 0.000 0.521 64 S C -1.142 173.456 174.600 -0.003 0.000 0.703 64 S CA 0.699 58.901 58.200 0.004 0.000 1.346 64 S CB -0.689 62.510 63.200 -0.001 0.000 1.241 64 S HN 0.857 nan 8.310 nan 0.000 0.764 65 N N 1.310 120.005 118.700 -0.008 0.000 3.127 65 N HA 0.135 4.875 4.740 0.000 0.000 0.239 65 N C -0.813 174.686 175.510 -0.018 0.000 1.407 65 N CA -0.747 52.291 53.050 -0.019 0.000 0.891 65 N CB 1.087 39.562 38.487 -0.019 0.000 1.447 65 N HN 0.562 nan 8.380 nan 0.000 0.507 66 E N 1.349 121.532 120.200 -0.027 0.000 2.349 66 E HA 0.188 4.539 4.350 0.000 0.000 0.201 66 E C 1.185 177.775 176.600 -0.017 0.000 1.087 66 E CA -0.086 56.301 56.400 -0.022 0.000 1.128 66 E CB -0.093 29.591 29.700 -0.027 0.000 1.188 66 E HN 0.401 nan 8.360 nan 0.000 0.445 67 L N 0.600 121.816 121.223 -0.012 0.000 2.123 67 L HA -0.246 4.094 4.340 0.000 0.000 0.217 67 L C 1.366 178.238 176.870 0.005 0.000 1.081 67 L CA 1.380 56.218 54.840 -0.004 0.000 0.772 67 L CB -1.557 40.508 42.059 0.010 0.000 0.890 67 L HN 0.401 nan 8.230 nan 0.000 0.437 68 G N -0.266 108.538 108.800 0.007 0.000 2.880 68 G HA2 -0.250 3.710 3.960 0.000 0.000 0.617 68 G HA3 -0.250 3.710 3.960 0.000 0.000 0.617 68 G C 0.133 175.047 174.900 0.023 0.000 1.493 68 G CA -0.068 45.038 45.100 0.011 0.000 0.916 68 G HN 0.233 nan 8.290 nan 0.000 0.553 69 D N -0.550 119.865 120.400 0.024 0.000 2.123 69 D HA -0.130 4.510 4.640 0.000 0.000 0.196 69 D C 2.715 179.052 176.300 0.061 0.000 0.992 69 D CA 1.772 55.791 54.000 0.033 0.000 0.833 69 D CB -0.172 40.640 40.800 0.020 0.000 0.954 69 D HN 0.322 nan 8.370 nan 0.000 0.455 70 V N 1.264 121.212 119.914 0.056 0.000 2.261 70 V HA -0.162 3.958 4.120 0.000 0.000 0.246 70 V C 2.672 178.808 176.094 0.069 0.000 1.047 70 V CA 2.084 64.428 62.300 0.074 0.000 1.015 70 V CB -1.133 30.716 31.823 0.042 0.000 0.642 70 V HN 0.223 nan 8.190 nan 0.000 0.446 71 G N -0.137 108.687 108.800 0.041 0.000 2.446 71 G HA2 -0.232 3.728 3.960 0.000 0.000 0.217 71 G HA3 -0.232 3.728 3.960 0.000 0.000 0.217 71 G C 1.702 176.633 174.900 0.051 0.000 1.168 71 G CA 1.322 46.441 45.100 0.031 0.000 0.771 71 G HN 0.341 nan 8.290 nan 0.000 0.551 72 V N 0.380 120.331 119.914 0.061 0.000 2.231 72 V HA -0.302 3.818 4.120 0.000 0.000 0.248 72 V C 2.400 178.567 176.094 0.123 0.000 1.054 72 V CA 2.474 64.818 62.300 0.073 0.000 1.015 72 V CB -0.884 30.975 31.823 0.059 0.000 0.638 72 V HN 0.656 nan 8.190 nan 0.000 0.444 73 H N -1.424 117.654 119.070 0.012 0.000 2.353 73 H HA -0.261 4.295 4.556 0.000 0.000 0.298 73 H C 2.427 177.764 175.328 0.015 0.000 1.103 73 H CA 1.948 58.004 56.048 0.013 0.000 1.293 73 H CB 0.040 29.808 29.762 0.010 0.000 1.372 73 H HN 0.508 nan 8.280 nan 0.000 0.501 74 C N -0.062 119.240 119.300 0.004 0.000 2.396 74 C HA -0.195 4.265 4.460 0.000 0.000 0.281 74 C C 2.909 177.888 174.990 -0.018 0.000 1.208 74 C CA 1.207 60.183 59.018 -0.070 0.000 1.754 74 C CB -1.009 26.716 27.740 -0.025 0.000 2.044 74 C HN 0.486 nan 8.230 nan 0.000 0.449 75 V N 1.072 121.002 119.914 0.026 0.000 2.317 75 V HA -0.276 3.844 4.120 0.000 0.000 0.251 75 V C 2.267 178.385 176.094 0.041 0.000 1.065 75 V CA 2.116 64.438 62.300 0.037 0.000 1.049 75 V CB -0.741 31.110 31.823 0.048 0.000 0.651 75 V HN 0.561 nan 8.190 nan 0.000 0.450 76 L N -0.576 120.686 121.223 0.066 0.000 2.079 76 L HA -0.276 4.064 4.340 0.000 0.000 0.210 76 L C 2.704 179.615 176.870 0.068 0.000 1.081 76 L CA 1.774 56.664 54.840 0.084 0.000 0.752 76 L CB -0.656 41.489 42.059 0.144 0.000 0.896 76 L HN 0.411 nan 8.230 nan 0.000 0.433 77 Q N -0.351 119.473 119.800 0.041 0.000 2.124 77 Q HA -0.135 4.206 4.340 0.000 0.000 0.202 77 Q C 2.352 178.355 176.000 0.006 0.000 0.977 77 Q CA 1.302 57.109 55.803 0.008 0.000 0.850 77 Q CB -0.445 28.248 28.738 -0.074 0.000 0.901 77 Q HN 0.614 nan 8.270 nan 0.000 0.429 78 G N 1.152 109.955 108.800 0.005 0.000 2.450 78 G HA2 -0.223 3.738 3.960 0.000 0.000 0.220 78 G HA3 -0.223 3.738 3.960 0.000 0.000 0.220 78 G C 1.365 176.271 174.900 0.011 0.000 1.130 78 G CA 0.579 45.683 45.100 0.007 0.000 0.760 78 G HN 0.197 nan 8.290 nan 0.000 0.557 79 L N -0.263 120.971 121.223 0.018 0.000 2.270 79 L HA 0.077 4.417 4.340 0.000 0.000 0.210 79 L C 1.609 178.490 176.870 0.018 0.000 1.104 79 L CA 0.315 55.165 54.840 0.017 0.000 0.804 79 L CB -0.124 41.947 42.059 0.021 0.000 0.937 79 L HN 0.260 nan 8.230 nan 0.000 0.450 80 Q N 1.732 121.546 119.800 0.024 0.000 3.254 80 Q HA 0.074 4.415 4.340 0.000 0.000 0.315 80 Q C -0.149 175.862 176.000 0.017 0.000 1.405 80 Q CA -0.034 55.784 55.803 0.025 0.000 0.966 80 Q CB -0.322 28.438 28.738 0.038 0.000 1.706 80 Q HN 0.332 nan 8.270 nan 0.000 0.525 81 T N -3.724 110.837 114.554 0.012 0.000 2.912 81 T HA 0.343 4.694 4.350 0.000 0.000 0.288 81 T C -2.000 172.704 174.700 0.007 0.000 1.030 81 T CA -2.180 59.925 62.100 0.008 0.000 1.020 81 T CB 1.750 70.620 68.868 0.004 0.000 1.056 81 T HN -0.077 nan 8.240 nan 0.000 0.480 82 P HA -0.091 nan 4.420 nan 0.000 0.218 82 P C 0.425 177.728 177.300 0.004 0.000 1.154 82 P CA 1.076 64.179 63.100 0.005 0.000 0.872 82 P CB 0.004 31.707 31.700 0.004 0.000 0.790 83 S N -1.569 114.132 115.700 0.003 0.000 2.528 83 S HA 0.498 4.969 4.470 0.000 0.000 0.303 83 S C -0.575 174.025 174.600 0.001 0.000 1.123 83 S CA -0.879 57.322 58.200 0.001 0.000 1.138 83 S CB -0.092 63.108 63.200 -0.000 0.000 0.984 83 S HN 0.138 nan 8.310 nan 0.000 0.474 84 C N 3.567 122.868 119.300 0.002 0.000 2.608 84 C HA 0.654 5.114 4.460 0.000 0.000 0.325 84 C C 0.136 175.126 174.990 0.000 0.000 1.147 84 C CA -0.525 58.493 59.018 0.001 0.000 1.359 84 C CB 1.329 29.071 27.740 0.004 0.000 1.912 84 C HN 1.106 nan 8.230 nan 0.000 0.466 85 K N 4.521 124.920 120.400 -0.002 0.000 2.618 85 K HA 0.262 4.583 4.320 0.000 0.000 0.207 85 K C 0.238 176.834 176.600 -0.007 0.000 1.058 85 K CA -0.418 55.867 56.287 -0.004 0.000 1.086 85 K CB 0.116 32.613 32.500 -0.005 0.000 0.827 85 K HN 0.740 nan 8.250 nan 0.000 0.481 86 I N 1.808 122.374 120.570 -0.006 0.000 2.845 86 I HA -0.177 3.993 4.170 0.000 0.000 0.296 86 I C 0.669 176.777 176.117 -0.015 0.000 1.216 86 I CA 1.237 62.531 61.300 -0.011 0.000 1.438 86 I CB 0.860 38.855 38.000 -0.007 0.000 1.342 86 I HN 0.383 nan 8.210 nan 0.000 0.577 87 Q N 5.084 124.869 119.800 -0.024 0.000 2.404 87 Q HA 0.302 4.642 4.340 0.000 0.000 0.262 87 Q C -0.445 175.528 176.000 -0.046 0.000 0.846 87 Q CA 0.151 55.936 55.803 -0.030 0.000 0.978 87 Q CB 0.603 29.323 28.738 -0.029 0.000 1.156 87 Q HN 0.571 nan 8.270 nan 0.000 0.548 88 K N 0.733 121.096 120.400 -0.060 0.000 2.468 88 K HA 0.546 4.866 4.320 0.000 0.000 0.252 88 K C -1.808 174.726 176.600 -0.110 0.000 0.932 88 K CA -0.760 55.465 56.287 -0.102 0.000 0.794 88 K CB 2.759 35.183 32.500 -0.127 0.000 1.241 88 K HN -0.147 nan 8.250 nan 0.000 0.428 89 L N 1.160 122.298 121.223 -0.141 0.000 2.410 89 L HA 0.513 4.853 4.340 0.000 0.000 0.270 89 L C -1.179 175.596 176.870 -0.157 0.000 0.983 89 L CA -0.091 54.686 54.840 -0.105 0.000 0.822 89 L CB 2.194 44.227 42.059 -0.043 0.000 1.285 89 L HN 0.669 nan 8.230 nan 0.000 0.409 90 S N 5.863 121.503 115.700 -0.101 0.000 2.640 90 S HA 0.638 5.108 4.470 0.000 0.000 0.320 90 S C -0.578 174.034 174.600 0.021 0.000 1.097 90 S CA -0.490 57.679 58.200 -0.052 0.000 1.092 90 S CB 0.421 63.593 63.200 -0.047 0.000 0.988 90 S HN 0.703 nan 8.310 nan 0.000 0.470 91 L N 4.176 125.431 121.223 0.054 0.000 3.193 91 L HA 0.394 4.734 4.340 0.000 0.000 0.305 91 L C 0.447 177.356 176.870 0.064 0.000 1.299 91 L CA -0.199 54.671 54.840 0.051 0.000 0.904 91 L CB 0.666 42.752 42.059 0.044 0.000 1.331 91 L HN 0.669 nan 8.230 nan 0.000 0.588 92 Q N 1.454 121.303 119.800 0.082 0.000 2.313 92 Q HA 0.009 4.349 4.340 0.000 0.000 0.266 92 Q C 0.473 176.501 176.000 0.047 0.000 0.989 92 Q CA 0.186 56.035 55.803 0.077 0.000 0.890 92 Q CB 0.428 29.222 28.738 0.094 0.000 1.200 92 Q HN 0.317 nan 8.270 nan 0.000 0.396 93 N N 2.674 121.396 118.700 0.037 0.000 2.727 93 N HA -0.193 4.548 4.740 0.000 0.000 0.251 93 N C -1.356 174.161 175.510 0.012 0.000 1.040 93 N CA 0.633 53.692 53.050 0.016 0.000 0.712 93 N CB -1.340 37.148 38.487 0.001 0.000 0.912 93 N HN 0.595 nan 8.380 nan 0.000 0.545 94 C N 0.049 119.360 119.300 0.018 0.000 2.994 94 C HA 0.383 4.843 4.460 0.000 0.000 0.284 94 C C 1.139 176.135 174.990 0.010 0.000 1.404 94 C CA 0.143 59.169 59.018 0.013 0.000 1.775 94 C CB -1.734 26.019 27.740 0.021 0.000 2.458 94 C HN 0.835 nan 8.230 nan 0.000 0.593 95 C N 1.362 120.667 119.300 0.008 0.000 4.497 95 C HA -0.162 4.299 4.460 0.000 0.000 0.292 95 C C 0.478 175.475 174.990 0.011 0.000 1.366 95 C CA 0.269 59.291 59.018 0.006 0.000 1.987 95 C CB -3.199 24.541 27.740 0.000 0.000 1.241 95 C HN 0.742 nan 8.230 nan 0.000 0.788 96 L N 0.537 121.771 121.223 0.017 0.000 2.326 96 L HA 0.766 5.106 4.340 0.000 0.000 0.278 96 L C 0.550 177.429 176.870 0.015 0.000 1.092 96 L CA 0.209 55.060 54.840 0.018 0.000 0.810 96 L CB 0.732 42.805 42.059 0.023 0.000 1.153 96 L HN 0.468 nan 8.230 nan 0.000 0.439 97 T N -1.058 113.503 114.554 0.011 0.000 2.883 97 T HA 0.510 4.860 4.350 0.000 0.000 0.284 97 T C 1.168 175.871 174.700 0.005 0.000 1.041 97 T CA -0.141 61.964 62.100 0.009 0.000 1.007 97 T CB 1.404 70.275 68.868 0.006 0.000 1.220 97 T HN 0.652 nan 8.240 nan 0.000 0.552 98 G N 0.340 109.142 108.800 0.004 0.000 2.476 98 G HA2 -0.088 3.872 3.960 0.000 0.000 0.218 98 G HA3 -0.088 3.872 3.960 0.000 0.000 0.218 98 G C 1.774 176.671 174.900 -0.006 0.000 1.164 98 G CA 1.223 46.323 45.100 -0.000 0.000 0.768 98 G HN 1.200 nan 8.290 nan 0.000 0.560 99 A N 0.806 123.623 122.820 -0.005 0.000 1.903 99 A HA 0.062 4.382 4.320 0.000 0.000 0.219 99 A C 2.628 180.202 177.584 -0.016 0.000 1.191 99 A CA 2.241 54.272 52.037 -0.009 0.000 0.638 99 A CB -1.125 17.872 19.000 -0.005 0.000 0.823 99 A HN 0.758 nan 8.150 nan 0.000 0.451 100 G N -2.180 106.613 108.800 -0.012 0.000 2.956 100 G HA2 0.056 4.016 3.960 0.000 0.000 0.207 100 G HA3 0.056 4.016 3.960 0.000 0.000 0.207 100 G C 1.038 175.921 174.900 -0.028 0.000 1.162 100 G CA 0.890 45.979 45.100 -0.019 0.000 0.796 100 G HN 0.537 nan 8.290 nan 0.000 0.527 101 C N -0.057 119.230 119.300 -0.022 0.000 2.512 101 C HA 0.218 4.678 4.460 0.000 0.000 0.276 101 C C 3.063 178.033 174.990 -0.033 0.000 1.368 101 C CA 0.214 59.220 59.018 -0.020 0.000 1.755 101 C CB -0.492 27.243 27.740 -0.008 0.000 2.008 101 C HN 0.479 nan 8.230 nan 0.000 0.511 102 G N 1.742 110.517 108.800 -0.042 0.000 2.446 102 G HA2 -0.197 3.763 3.960 0.000 0.000 0.217 102 G HA3 -0.197 3.763 3.960 0.000 0.000 0.217 102 G C 1.702 176.559 174.900 -0.073 0.000 1.168 102 G CA 1.833 46.904 45.100 -0.048 0.000 0.771 102 G HN 0.486 nan 8.290 nan 0.000 0.551 103 V N -0.851 118.991 119.914 -0.120 0.000 2.379 103 V HA 0.003 4.124 4.120 0.000 0.000 0.245 103 V C 2.607 178.624 176.094 -0.129 0.000 1.044 103 V CA 1.437 63.617 62.300 -0.200 0.000 1.036 103 V CB -0.815 30.745 31.823 -0.439 0.000 0.664 103 V HN 0.199 nan 8.190 nan 0.000 0.453 104 L N 1.281 122.455 121.223 -0.082 0.000 2.042 104 L HA -0.119 4.222 4.340 0.000 0.000 0.210 104 L C 2.758 179.619 176.870 -0.016 0.000 1.076 104 L CA 2.380 57.202 54.840 -0.030 0.000 0.749 104 L CB -0.960 41.093 42.059 -0.010 0.000 0.893 104 L HN 0.472 nan 8.230 nan 0.000 0.432 105 S N -1.465 114.223 115.700 -0.021 0.000 2.353 105 S HA -0.214 4.256 4.470 0.000 0.000 0.222 105 S C 2.121 176.716 174.600 -0.009 0.000 1.035 105 S CA 1.823 60.017 58.200 -0.011 0.000 1.025 105 S CB -0.427 62.764 63.200 -0.015 0.000 0.902 105 S HN 0.644 nan 8.310 nan 0.000 0.440 106 S N 0.434 116.122 115.700 -0.021 0.000 2.383 106 S HA -0.064 4.407 4.470 0.000 0.000 0.227 106 S C 1.964 176.563 174.600 -0.001 0.000 1.026 106 S CA 1.582 59.774 58.200 -0.013 0.000 0.981 106 S CB -0.727 62.459 63.200 -0.024 0.000 0.818 106 S HN 0.692 nan 8.310 nan 0.000 0.472 107 T N 2.444 116.997 114.554 -0.002 0.000 2.821 107 T HA 0.016 4.366 4.350 0.000 0.000 0.267 107 T C 1.514 176.227 174.700 0.021 0.000 1.046 107 T CA 0.781 62.893 62.100 0.020 0.000 1.139 107 T CB -0.291 68.597 68.868 0.033 0.000 0.871 107 T HN 0.133 nan 8.240 nan 0.000 0.454 108 L N 1.073 122.306 121.223 0.017 0.000 2.353 108 L HA 0.063 4.403 4.340 0.000 0.000 0.220 108 L C 2.335 179.218 176.870 0.021 0.000 1.133 108 L CA 1.337 56.190 54.840 0.022 0.000 0.798 108 L CB -0.676 41.398 42.059 0.025 0.000 0.922 108 L HN 0.172 nan 8.230 nan 0.000 0.445 109 R N -1.263 119.246 120.500 0.016 0.000 2.193 109 R HA -0.019 4.322 4.340 0.000 0.000 0.213 109 R C 1.548 177.857 176.300 0.016 0.000 1.055 109 R CA 1.377 57.485 56.100 0.015 0.000 0.995 109 R CB -0.282 30.024 30.300 0.010 0.000 0.893 109 R HN 0.496 nan 8.270 nan 0.000 0.459 110 T N -2.654 111.911 114.554 0.018 0.000 3.092 110 T HA 0.263 4.614 4.350 0.000 0.000 0.258 110 T C 0.636 175.346 174.700 0.018 0.000 1.031 110 T CA -0.182 61.929 62.100 0.018 0.000 0.925 110 T CB 0.225 69.105 68.868 0.020 0.000 1.036 110 T HN -0.011 nan 8.240 nan 0.000 0.544 111 L N 2.474 123.708 121.223 0.019 0.000 2.709 111 L HA 0.368 4.708 4.340 0.000 0.000 0.236 111 L C -1.592 175.287 176.870 0.016 0.000 1.266 111 L CA -2.077 52.773 54.840 0.017 0.000 0.987 111 L CB 0.977 43.047 42.059 0.017 0.000 1.306 111 L HN -0.035 nan 8.230 nan 0.000 0.467 112 P HA -0.177 nan 4.420 nan 0.000 0.223 112 P C 1.390 178.696 177.300 0.011 0.000 1.144 112 P CA 1.289 64.398 63.100 0.015 0.000 0.783 112 P CB -0.009 31.699 31.700 0.014 0.000 0.771 113 T N -3.297 111.261 114.554 0.007 0.000 3.023 113 T HA 0.008 4.358 4.350 0.000 0.000 0.266 113 T C 0.903 175.601 174.700 -0.002 0.000 1.093 113 T CA -0.234 61.867 62.100 0.002 0.000 1.129 113 T CB -0.882 67.986 68.868 -0.000 0.000 0.899 113 T HN -0.078 nan 8.240 nan 0.000 0.491 114 L N 2.166 123.390 121.223 0.001 0.000 2.513 114 L HA 0.206 4.546 4.340 0.000 0.000 0.272 114 L C 1.106 177.973 176.870 -0.006 0.000 1.187 114 L CA 0.523 55.361 54.840 -0.003 0.000 0.895 114 L CB 0.505 42.567 42.059 0.005 0.000 1.147 114 L HN 0.199 nan 8.230 nan 0.000 0.483 115 Q N 2.277 122.063 119.800 -0.023 0.000 2.423 115 Q HA 0.236 4.576 4.340 0.000 0.000 0.231 115 Q C -0.066 175.901 176.000 -0.055 0.000 0.894 115 Q CA 0.279 56.059 55.803 -0.039 0.000 0.938 115 Q CB 0.757 29.466 28.738 -0.047 0.000 1.079 115 Q HN 0.738 nan 8.270 nan 0.000 0.552 116 E N 0.207 120.377 120.200 -0.050 0.000 2.336 116 E HA 0.570 4.920 4.350 0.000 0.000 0.267 116 E C -1.936 174.643 176.600 -0.035 0.000 0.906 116 E CA -0.857 55.514 56.400 -0.047 0.000 0.781 116 E CB 1.799 31.454 29.700 -0.075 0.000 1.261 116 E HN -0.085 nan 8.360 nan 0.000 0.436 117 L N 2.600 123.843 121.223 0.034 0.000 2.639 117 L HA 0.300 4.641 4.340 0.000 0.000 0.264 117 L C -2.046 174.956 176.870 0.220 0.000 0.948 117 L CA -0.044 54.832 54.840 0.060 0.000 0.912 117 L CB 1.421 43.523 42.059 0.072 0.000 1.294 117 L HN 0.671 nan 8.230 nan 0.000 0.412 118 H N 6.414 125.494 119.070 0.017 0.000 2.581 118 H HA 0.457 5.014 4.556 0.000 0.000 0.308 118 H C 0.247 175.591 175.328 0.027 0.000 1.040 118 H CA -0.602 55.458 56.048 0.020 0.000 1.231 118 H CB 1.468 31.238 29.762 0.013 0.000 1.396 118 H HN 0.577 nan 8.280 nan 0.000 0.467 119 L N 1.919 123.226 121.223 0.141 0.000 2.808 119 L HA 0.154 4.495 4.340 0.000 0.000 0.246 119 L C 0.501 177.417 176.870 0.077 0.000 1.153 119 L CA -0.044 54.851 54.840 0.092 0.000 0.956 119 L CB 0.520 42.623 42.059 0.073 0.000 1.270 119 L HN 0.426 nan 8.230 nan 0.000 0.528 120 S N 0.428 116.172 115.700 0.074 0.000 2.560 120 S HA -0.055 4.415 4.470 0.000 0.000 0.276 120 S C 0.368 175.022 174.600 0.090 0.000 1.350 120 S CA -0.037 58.210 58.200 0.078 0.000 1.024 120 S CB 0.211 63.447 63.200 0.059 0.000 0.864 120 S HN 0.384 nan 8.310 nan 0.000 0.536 121 D N 0.996 121.472 120.400 0.127 0.000 2.723 121 D HA -0.139 4.501 4.640 0.000 0.000 0.236 121 D C -0.792 175.536 176.300 0.047 0.000 1.138 121 D CA 0.808 54.855 54.000 0.079 0.000 0.676 121 D CB -1.458 39.357 40.800 0.024 0.000 1.069 121 D HN 0.442 nan 8.370 nan 0.000 0.430 122 N N 0.499 119.235 118.700 0.060 0.000 2.310 122 N HA 0.255 4.995 4.740 0.000 0.000 0.292 122 N C -0.363 175.173 175.510 0.043 0.000 1.049 122 N CA -0.691 52.383 53.050 0.041 0.000 0.849 122 N CB 1.749 40.259 38.487 0.039 0.000 1.532 122 N HN -0.002 nan 8.380 nan 0.000 0.479 123 L N 3.868 125.109 121.223 0.031 0.000 2.388 123 L HA 0.180 4.521 4.340 0.000 0.000 0.252 123 L C 0.796 177.681 176.870 0.024 0.000 1.357 123 L CA 0.454 55.311 54.840 0.029 0.000 1.214 123 L CB -0.802 41.268 42.059 0.019 0.000 1.392 123 L HN 0.572 nan 8.230 nan 0.000 0.432 124 L N 2.630 123.870 121.223 0.028 0.000 2.131 124 L HA 0.255 4.595 4.340 0.000 0.000 0.206 124 L C 1.453 178.332 176.870 0.015 0.000 1.087 124 L CA 0.546 55.398 54.840 0.020 0.000 0.767 124 L CB -0.987 41.085 42.059 0.022 0.000 0.917 124 L HN 0.802 nan 8.230 nan 0.000 0.441 125 G N 0.353 109.163 108.800 0.017 0.000 2.846 125 G HA2 -0.247 3.713 3.960 0.000 0.000 0.660 125 G HA3 -0.247 3.713 3.960 0.000 0.000 0.660 125 G C -0.021 174.883 174.900 0.006 0.000 1.464 125 G CA -0.112 44.995 45.100 0.011 0.000 0.891 125 G HN 0.178 nan 8.290 nan 0.000 0.552 126 D N 0.330 120.732 120.400 0.002 0.000 2.144 126 D HA -0.056 4.584 4.640 0.000 0.000 0.199 126 D C 2.779 179.076 176.300 -0.004 0.000 0.984 126 D CA 2.129 56.128 54.000 -0.002 0.000 0.834 126 D CB -0.472 40.325 40.800 -0.004 0.000 0.955 126 D HN 0.865 nan 8.370 nan 0.000 0.465 127 A N 0.895 123.714 122.820 -0.003 0.000 1.877 127 A HA -0.055 4.266 4.320 0.000 0.000 0.216 127 A C 2.399 179.980 177.584 -0.005 0.000 1.186 127 A CA 2.183 54.217 52.037 -0.005 0.000 0.620 127 A CB -1.079 17.919 19.000 -0.004 0.000 0.822 127 A HN 0.310 nan 8.150 nan 0.000 0.443 128 G N -0.325 108.474 108.800 -0.002 0.000 2.404 128 G HA2 -0.158 3.802 3.960 0.000 0.000 0.215 128 G HA3 -0.158 3.802 3.960 0.000 0.000 0.215 128 G C 1.511 176.410 174.900 -0.001 0.000 1.174 128 G CA 0.922 46.021 45.100 -0.002 0.000 0.780 128 G HN 0.398 nan 8.290 nan 0.000 0.537 129 L N 0.717 121.940 121.223 0.000 0.000 2.013 129 L HA -0.147 4.194 4.340 0.000 0.000 0.212 129 L C 2.703 179.569 176.870 -0.007 0.000 1.073 129 L CA 2.901 57.740 54.840 -0.001 0.000 0.753 129 L CB -0.888 41.170 42.059 -0.002 0.000 0.890 129 L HN 0.381 nan 8.230 nan 0.000 0.432 130 Q N 0.003 119.797 119.800 -0.010 0.000 2.167 130 Q HA -0.209 4.131 4.340 0.000 0.000 0.202 130 Q C 2.018 178.010 176.000 -0.013 0.000 0.970 130 Q CA 1.741 57.535 55.803 -0.014 0.000 0.855 130 Q CB -0.734 27.996 28.738 -0.014 0.000 0.911 130 Q HN 0.470 nan 8.270 nan 0.000 0.438 131 L N -0.510 120.706 121.223 -0.011 0.000 2.275 131 L HA 0.029 4.369 4.340 0.000 0.000 0.215 131 L C 1.799 178.662 176.870 -0.011 0.000 1.119 131 L CA 1.394 56.227 54.840 -0.012 0.000 0.790 131 L CB -0.222 41.830 42.059 -0.012 0.000 0.919 131 L HN 0.345 nan 8.230 nan 0.000 0.443 132 L N -2.416 118.803 121.223 -0.008 0.000 2.162 132 L HA -0.137 4.204 4.340 0.000 0.000 0.205 132 L C 2.358 179.226 176.870 -0.004 0.000 1.086 132 L CA 0.576 55.414 54.840 -0.003 0.000 0.778 132 L CB -0.535 41.527 42.059 0.005 0.000 0.928 132 L HN 0.227 nan 8.230 nan 0.000 0.446 133 C N 0.281 119.574 119.300 -0.011 0.000 2.422 133 C HA -0.097 4.363 4.460 0.000 0.000 0.286 133 C C 2.452 177.430 174.990 -0.019 0.000 1.412 133 C CA 0.442 59.448 59.018 -0.019 0.000 1.786 133 C CB -0.953 26.769 27.740 -0.030 0.000 1.835 133 C HN 0.514 nan 8.230 nan 0.000 0.533 134 E N 0.760 120.951 120.200 -0.015 0.000 2.051 134 E HA -0.115 4.235 4.350 0.000 0.000 0.192 134 E C 2.446 179.040 176.600 -0.009 0.000 0.991 134 E CA 1.463 57.855 56.400 -0.013 0.000 0.799 134 E CB -0.366 29.326 29.700 -0.012 0.000 0.748 134 E HN 0.720 nan 8.360 nan 0.000 0.449 135 G N 1.361 110.158 108.800 -0.006 0.000 2.394 135 G HA2 -0.198 3.762 3.960 0.000 0.000 0.215 135 G HA3 -0.198 3.762 3.960 0.000 0.000 0.215 135 G C 1.602 176.505 174.900 0.006 0.000 1.165 135 G CA 0.314 45.414 45.100 0.001 0.000 0.784 135 G HN 0.067 nan 8.290 nan 0.000 0.535 136 L N 0.077 121.303 121.223 0.005 0.000 2.129 136 L HA -0.062 4.278 4.340 0.000 0.000 0.212 136 L C 2.741 179.610 176.870 -0.003 0.000 1.087 136 L CA 0.563 55.409 54.840 0.010 0.000 0.757 136 L CB -0.406 41.651 42.059 -0.003 0.000 0.896 136 L HN 0.189 nan 8.230 nan 0.000 0.434 137 L N -0.983 120.232 121.223 -0.013 0.000 2.291 137 L HA -0.057 4.283 4.340 0.000 0.000 0.214 137 L C 1.063 177.930 176.870 -0.006 0.000 1.120 137 L CA 0.094 54.924 54.840 -0.017 0.000 0.799 137 L CB -0.395 41.651 42.059 -0.022 0.000 0.925 137 L HN 0.238 nan 8.230 nan 0.000 0.446 138 D N 1.594 121.994 120.400 0.001 0.000 2.487 138 D HA -0.037 4.603 4.640 0.000 0.000 0.243 138 D C -1.406 174.900 176.300 0.010 0.000 1.154 138 D CA -1.129 52.874 54.000 0.005 0.000 0.876 138 D CB 1.432 42.237 40.800 0.007 0.000 1.161 138 D HN 0.020 nan 8.370 nan 0.000 0.478 139 P HA -0.143 nan 4.420 nan 0.000 0.228 139 P C 0.843 178.153 177.300 0.017 0.000 1.151 139 P CA 0.724 63.832 63.100 0.012 0.000 0.770 139 P CB 0.462 32.167 31.700 0.009 0.000 0.786 140 Q N -0.978 118.831 119.800 0.016 0.000 2.451 140 Q HA -0.000 4.340 4.340 0.000 0.000 0.206 140 Q C 0.750 176.764 176.000 0.023 0.000 0.947 140 Q CA 0.142 55.955 55.803 0.018 0.000 0.937 140 Q CB -0.884 27.863 28.738 0.014 0.000 1.025 140 Q HN 0.238 nan 8.270 nan 0.000 0.511 141 C N 2.285 121.602 119.300 0.028 0.000 2.464 141 C HA 0.290 4.750 4.460 0.000 0.000 0.370 141 C C 0.971 175.993 174.990 0.054 0.000 1.267 141 C CA -0.475 58.568 59.018 0.040 0.000 1.781 141 C CB -0.265 27.501 27.740 0.044 0.000 2.431 141 C HN 0.217 nan 8.230 nan 0.000 0.556 142 R N 4.673 125.204 120.500 0.052 0.000 2.546 142 R HA 0.234 4.575 4.340 0.000 0.000 0.320 142 R C 0.020 176.358 176.300 0.063 0.000 1.021 142 R CA -0.190 55.944 56.100 0.055 0.000 1.088 142 R CB -0.459 29.860 30.300 0.032 0.000 1.278 142 R HN 0.730 nan 8.270 nan 0.000 0.557 143 L N 1.364 122.642 121.223 0.091 0.000 2.559 143 L HA -0.078 4.262 4.340 0.000 0.000 0.282 143 L C 1.334 178.234 176.870 0.050 0.000 1.232 143 L CA 0.872 55.763 54.840 0.086 0.000 0.885 143 L CB 0.450 42.605 42.059 0.162 0.000 1.131 143 L HN 0.156 nan 8.230 nan 0.000 0.498 144 E N 1.778 121.873 120.200 -0.175 0.000 2.453 144 E HA 0.135 4.485 4.350 0.000 0.000 0.211 144 E C -0.325 175.691 176.600 -0.973 0.000 0.897 144 E CA 0.157 56.266 56.400 -0.485 0.000 1.063 144 E CB 0.738 30.288 29.700 -0.250 0.000 1.080 144 E HN 0.509 nan 8.360 nan 0.000 0.512 145 K N 1.194 121.269 120.400 -0.541 0.000 2.397 145 K HA 0.497 4.817 4.320 0.000 0.000 0.253 145 K C -1.486 175.048 176.600 -0.111 0.000 0.932 145 K CA -0.781 55.275 56.287 -0.385 0.000 0.795 145 K CB 2.652 35.049 32.500 -0.172 0.000 1.159 145 K HN -0.153 nan 8.250 nan 0.000 0.424 146 L N 2.150 123.383 121.223 0.016 0.000 2.476 146 L HA 0.305 4.645 4.340 0.000 0.000 0.269 146 L C -1.607 175.327 176.870 0.107 0.000 0.965 146 L CA -0.131 54.805 54.840 0.160 0.000 0.845 146 L CB 2.027 44.288 42.059 0.337 0.000 1.259 146 L HN 0.595 nan 8.230 nan 0.000 0.403 147 Q N 6.013 125.858 119.800 0.075 0.000 2.322 147 Q HA 0.591 4.931 4.340 0.000 0.000 0.265 147 Q C -0.690 175.322 176.000 0.020 0.000 0.985 147 Q CA -0.453 55.343 55.803 -0.012 0.000 0.849 147 Q CB 2.436 31.064 28.738 -0.184 0.000 1.274 147 Q HN 0.708 nan 8.270 nan 0.000 0.449 148 L N 1.789 123.019 121.223 0.011 0.000 3.291 148 L HA 0.263 4.604 4.340 0.000 0.000 0.307 148 L C -0.244 176.629 176.870 0.005 0.000 1.303 148 L CA -0.146 54.707 54.840 0.022 0.000 0.949 148 L CB 0.536 42.610 42.059 0.024 0.000 1.375 148 L HN 0.520 nan 8.230 nan 0.000 0.596 149 E N 0.351 120.548 120.200 -0.006 0.000 2.414 149 E HA 0.038 4.388 4.350 0.000 0.000 0.263 149 E C -0.567 176.079 176.600 0.078 0.000 1.000 149 E CA -0.286 56.089 56.400 -0.041 0.000 0.914 149 E CB 0.241 29.923 29.700 -0.030 0.000 0.948 149 E HN 0.164 nan 8.360 nan 0.000 0.444 150 Y N -0.316 119.987 120.300 0.005 0.000 3.027 150 Y HA -0.259 4.291 4.550 0.001 0.000 0.195 150 Y C 0.526 176.429 175.900 0.005 0.000 1.381 150 Y CA -0.341 57.763 58.100 0.006 0.000 1.015 150 Y CB -1.833 36.630 38.460 0.006 0.000 1.329 150 Y HN 0.577 nan 8.280 nan 0.000 0.462 151 C N -0.680 118.683 119.300 0.105 0.000 3.104 151 C HA 0.247 4.707 4.460 0.000 0.000 0.284 151 C C 1.279 176.301 174.990 0.053 0.000 1.326 151 C CA 0.546 59.608 59.018 0.072 0.000 1.725 151 C CB -0.778 26.990 27.740 0.045 0.000 2.156 151 C HN 0.793 nan 8.230 nan 0.000 0.638 152 S N 0.838 116.574 115.700 0.061 0.000 3.749 152 S HA -0.156 4.314 4.470 0.000 0.000 0.348 152 S C -0.196 174.417 174.600 0.021 0.000 1.045 152 S CA 0.431 58.657 58.200 0.043 0.000 1.051 152 S CB -1.790 61.434 63.200 0.040 0.000 0.898 152 S HN 0.675 nan 8.310 nan 0.000 0.472 153 L N 1.147 122.377 121.223 0.011 0.000 2.334 153 L HA 0.747 5.087 4.340 0.000 0.000 0.275 153 L C 0.811 177.677 176.870 -0.007 0.000 1.036 153 L CA -0.427 54.413 54.840 -0.000 0.000 0.807 153 L CB 1.682 43.738 42.059 -0.006 0.000 1.231 153 L HN 0.402 nan 8.230 nan 0.000 0.438 154 S N 0.799 116.494 115.700 -0.009 0.000 2.837 154 S HA 0.609 5.080 4.470 0.000 0.000 0.314 154 S C 0.906 175.497 174.600 -0.016 0.000 1.098 154 S CA -0.060 58.132 58.200 -0.012 0.000 0.903 154 S CB 1.322 64.516 63.200 -0.009 0.000 1.310 154 S HN 0.629 nan 8.310 nan 0.000 0.581 155 A N 0.393 123.203 122.820 -0.017 0.000 2.024 155 A HA 0.169 4.490 4.320 0.000 0.000 0.220 155 A C 2.297 179.870 177.584 -0.019 0.000 1.164 155 A CA 2.015 54.041 52.037 -0.019 0.000 0.643 155 A CB -1.769 17.220 19.000 -0.018 0.000 0.806 155 A HN 1.300 nan 8.150 nan 0.000 0.451 156 A N -0.510 122.301 122.820 -0.016 0.000 1.851 156 A HA -0.113 4.207 4.320 0.000 0.000 0.216 156 A C 2.312 179.886 177.584 -0.018 0.000 1.195 156 A CA 1.967 53.995 52.037 -0.015 0.000 0.622 156 A CB -1.063 17.929 19.000 -0.012 0.000 0.831 156 A HN 0.444 nan 8.150 nan 0.000 0.444 157 S N -1.072 114.618 115.700 -0.016 0.000 2.571 157 S HA -0.132 4.339 4.470 0.000 0.000 0.245 157 S C 1.485 176.070 174.600 -0.025 0.000 0.976 157 S CA 0.938 59.127 58.200 -0.018 0.000 0.954 157 S CB -0.799 62.393 63.200 -0.014 0.000 0.756 157 S HN 0.687 nan 8.310 nan 0.000 0.535 158 C N 0.583 119.868 119.300 -0.026 0.000 2.495 158 C HA 0.102 4.562 4.460 0.000 0.000 0.275 158 C C 2.584 177.552 174.990 -0.035 0.000 1.392 158 C CA 0.123 59.122 59.018 -0.031 0.000 1.766 158 C CB -0.794 26.928 27.740 -0.029 0.000 1.933 158 C HN 0.606 nan 8.230 nan 0.000 0.519 159 E N 1.911 122.092 120.200 -0.032 0.000 2.086 159 E HA -0.036 4.314 4.350 0.000 0.000 0.190 159 E C -0.651 175.925 176.600 -0.040 0.000 0.975 159 E CA 1.461 57.841 56.400 -0.034 0.000 0.813 159 E CB -1.103 28.580 29.700 -0.028 0.000 0.768 159 E HN 0.314 nan 8.360 nan 0.000 0.457 160 P HA -0.106 nan 4.420 nan 0.000 0.216 160 P C 1.305 178.571 177.300 -0.058 0.000 1.153 160 P CA 1.169 64.245 63.100 -0.041 0.000 0.848 160 P CB -0.021 31.660 31.700 -0.032 0.000 0.787 161 L N -1.140 120.047 121.223 -0.060 0.000 2.093 161 L HA -0.145 4.195 4.340 0.000 0.000 0.208 161 L C 2.399 179.202 176.870 -0.111 0.000 1.085 161 L CA 1.340 56.129 54.840 -0.085 0.000 0.755 161 L CB -1.021 40.998 42.059 -0.068 0.000 0.904 161 L HN -0.053 nan 8.230 nan 0.000 0.435 162 A N -0.820 121.950 122.820 -0.083 0.000 1.978 162 A HA -0.201 4.119 4.320 0.000 0.000 0.220 162 A C 2.450 179.980 177.584 -0.090 0.000 1.170 162 A CA 2.041 54.029 52.037 -0.082 0.000 0.636 162 A CB -0.499 18.468 19.000 -0.056 0.000 0.810 162 A HN 0.405 nan 8.150 nan 0.000 0.448 163 S N -0.638 115.013 115.700 -0.082 0.000 2.423 163 S HA -0.081 4.389 4.470 0.000 0.000 0.231 163 S C 1.792 176.331 174.600 -0.101 0.000 1.014 163 S CA 1.301 59.456 58.200 -0.075 0.000 0.965 163 S CB -0.238 62.927 63.200 -0.058 0.000 0.785 163 S HN 0.388 nan 8.310 nan 0.000 0.495 164 V N 1.822 121.648 119.914 -0.147 0.000 2.346 164 V HA -0.040 4.080 4.120 0.000 0.000 0.244 164 V C 2.139 178.063 176.094 -0.284 0.000 1.037 164 V CA 1.176 63.349 62.300 -0.211 0.000 1.029 164 V CB -0.690 30.966 31.823 -0.277 0.000 0.663 164 V HN 0.390 nan 8.190 nan 0.000 0.454 165 L N -0.362 120.671 121.223 -0.317 0.000 2.042 165 L HA -0.217 4.124 4.340 0.000 0.000 0.210 165 L C 2.813 179.602 176.870 -0.135 0.000 1.076 165 L CA 1.771 56.443 54.840 -0.280 0.000 0.749 165 L CB -0.577 41.366 42.059 -0.194 0.000 0.893 165 L HN 0.240 nan 8.230 nan 0.000 0.432 166 R N -0.453 119.985 120.500 -0.103 0.000 2.096 166 R HA -0.121 4.219 4.340 0.000 0.000 0.235 166 R C 2.350 178.621 176.300 -0.049 0.000 1.127 166 R CA 1.283 57.347 56.100 -0.060 0.000 0.968 166 R CB -0.364 29.906 30.300 -0.051 0.000 0.861 166 R HN 0.371 nan 8.270 nan 0.000 0.440 167 A N 1.031 123.813 122.820 -0.064 0.000 1.968 167 A HA -0.036 4.284 4.320 0.000 0.000 0.217 167 A C 0.472 178.045 177.584 -0.020 0.000 1.169 167 A CA 0.875 52.888 52.037 -0.041 0.000 0.638 167 A CB 0.169 19.141 19.000 -0.047 0.000 0.812 167 A HN -0.037 nan 8.150 nan 0.000 0.446 168 K N 0.352 120.735 120.400 -0.029 0.000 2.266 168 K HA 0.322 4.642 4.320 0.000 0.000 0.274 168 K C -2.433 174.214 176.600 0.078 0.000 1.090 168 K CA -2.249 54.069 56.287 0.050 0.000 0.925 168 K CB 0.844 33.421 32.500 0.128 0.000 1.225 168 K HN 0.054 nan 8.250 nan 0.000 0.458 169 P HA -0.078 nan 4.420 nan 0.000 0.230 169 P C 0.021 177.364 177.300 0.071 0.000 1.158 169 P CA 1.035 64.168 63.100 0.054 0.000 0.769 169 P CB 0.376 32.097 31.700 0.036 0.000 0.807 170 D N -2.245 118.214 120.400 0.098 0.000 2.819 170 D HA 0.119 4.759 4.640 0.000 0.000 0.326 170 D C -0.766 175.597 176.300 0.104 0.000 1.408 170 D CA -0.637 53.411 54.000 0.080 0.000 0.811 170 D CB -0.509 40.318 40.800 0.044 0.000 1.148 170 D HN -0.181 nan 8.370 nan 0.000 0.457 171 F N 1.304 121.254 119.950 -0.001 0.000 2.495 171 F HA 0.211 4.738 4.527 0.000 0.000 0.365 171 F C 1.380 177.179 175.800 -0.001 0.000 1.090 171 F CA 0.293 58.293 58.000 -0.000 0.000 1.235 171 F CB 0.998 39.997 39.000 -0.002 0.000 1.119 171 F HN -0.160 nan 8.300 nan 0.000 0.562 172 K N 2.994 123.145 120.400 -0.414 0.000 2.172 172 K HA 0.060 4.381 4.320 0.000 0.000 0.203 172 K C -0.108 176.377 176.600 -0.191 0.000 1.040 172 K CA 0.586 56.735 56.287 -0.230 0.000 0.974 172 K CB -0.051 32.323 32.500 -0.211 0.000 0.857 172 K HN 0.693 nan 8.250 nan 0.000 0.464 173 E N 0.699 120.698 120.200 -0.334 0.000 2.248 173 E HA 0.331 4.681 4.350 0.000 0.000 0.267 173 E C -1.657 174.957 176.600 0.024 0.000 0.877 173 E CA -0.614 55.715 56.400 -0.119 0.000 0.759 173 E CB 1.436 31.075 29.700 -0.102 0.000 1.182 173 E HN -0.101 nan 8.360 nan 0.000 0.418 174 L N 3.892 125.197 121.223 0.136 0.000 2.377 174 L HA 0.437 4.777 4.340 0.000 0.000 0.270 174 L C -1.278 175.636 176.870 0.073 0.000 0.991 174 L CA -0.072 54.886 54.840 0.198 0.000 0.851 174 L CB 1.861 44.053 42.059 0.223 0.000 1.218 174 L HN 0.530 nan 8.230 nan 0.000 0.420 175 T N 4.283 118.862 114.554 0.041 0.000 2.788 175 T HA 0.349 4.700 4.350 0.000 0.000 0.296 175 T C 0.139 174.833 174.700 -0.011 0.000 1.009 175 T CA -0.107 61.989 62.100 -0.008 0.000 0.949 175 T CB 1.409 70.246 68.868 -0.050 0.000 0.946 175 T HN 0.364 nan 8.240 nan 0.000 0.453 176 V N 3.489 123.390 119.914 -0.022 0.000 3.078 176 V HA 0.234 4.354 4.120 0.000 0.000 0.344 176 V C 0.583 176.633 176.094 -0.073 0.000 1.409 176 V CA -0.100 62.178 62.300 -0.036 0.000 1.146 176 V CB -0.016 31.793 31.823 -0.023 0.000 1.126 176 V HN 0.847 nan 8.190 nan 0.000 0.513 177 S N 2.298 117.947 115.700 -0.085 0.000 2.566 177 S HA 0.173 4.643 4.470 0.000 0.000 0.280 177 S C 0.731 175.179 174.600 -0.255 0.000 1.343 177 S CA 0.379 58.503 58.200 -0.126 0.000 1.036 177 S CB 0.129 63.280 63.200 -0.082 0.000 0.866 177 S HN 0.765 nan 8.310 nan 0.000 0.526 178 N N 1.338 119.844 118.700 -0.323 0.000 2.815 178 N HA -0.148 4.592 4.740 0.000 0.000 0.248 178 N C -1.142 174.133 175.510 -0.392 0.000 1.110 178 N CA 0.536 53.232 53.050 -0.589 0.000 0.699 178 N CB -1.508 36.040 38.487 -1.565 0.000 1.040 178 N HN 0.604 nan 8.380 nan 0.000 0.555 179 N N 0.297 118.886 118.700 -0.186 0.000 2.455 179 N HA 0.243 4.983 4.740 0.000 0.000 0.278 179 N C -1.204 174.269 175.510 -0.063 0.000 1.291 179 N CA -0.505 52.494 53.050 -0.085 0.000 0.780 179 N CB 1.202 39.653 38.487 -0.061 0.000 1.520 179 N HN -0.077 nan 8.380 nan 0.000 0.486 180 D N 1.729 122.110 120.400 -0.033 0.000 2.639 180 D HA 0.205 4.845 4.640 0.000 0.000 0.233 180 D C 1.579 177.861 176.300 -0.029 0.000 1.161 180 D CA -0.167 53.815 54.000 -0.030 0.000 1.003 180 D CB 0.187 40.978 40.800 -0.016 0.000 1.034 180 D HN 0.511 nan 8.370 nan 0.000 0.514 181 I N -2.290 118.258 120.570 -0.037 0.000 2.761 181 I HA -0.079 4.091 4.170 0.000 0.000 0.261 181 I C 0.231 176.329 176.117 -0.031 0.000 1.198 181 I CA -0.111 61.170 61.300 -0.033 0.000 1.482 181 I CB -0.213 37.765 38.000 -0.036 0.000 1.100 181 I HN -0.080 nan 8.210 nan 0.000 0.445 182 N N 1.881 120.560 118.700 -0.035 0.000 6.583 182 N HA -0.322 4.418 4.740 0.000 0.000 0.406 182 N C 0.865 176.356 175.510 -0.031 0.000 0.938 182 N CA 1.329 54.360 53.050 -0.033 0.000 1.578 182 N CB -0.314 38.157 38.487 -0.027 0.000 0.780 182 N HN 0.559 nan 8.380 nan 0.000 0.421 183 E N 0.311 120.493 120.200 -0.029 0.000 2.068 183 E HA -0.268 4.082 4.350 0.000 0.000 0.207 183 E C 1.792 178.377 176.600 -0.024 0.000 1.032 183 E CA 2.457 58.841 56.400 -0.027 0.000 0.839 183 E CB -0.357 29.329 29.700 -0.024 0.000 0.758 183 E HN 0.604 nan 8.360 nan 0.000 0.457 184 A N 0.413 123.220 122.820 -0.022 0.000 1.908 184 A HA -0.136 4.184 4.320 0.000 0.000 0.218 184 A C 2.401 179.971 177.584 -0.023 0.000 1.181 184 A CA 2.028 54.053 52.037 -0.021 0.000 0.627 184 A CB -1.330 17.659 19.000 -0.018 0.000 0.818 184 A HN 0.496 nan 8.150 nan 0.000 0.445 185 G N -0.567 108.218 108.800 -0.024 0.000 2.453 185 G HA2 -0.120 3.840 3.960 0.000 0.000 0.215 185 G HA3 -0.120 3.840 3.960 0.000 0.000 0.215 185 G C 1.505 176.389 174.900 -0.028 0.000 1.201 185 G CA 1.212 46.296 45.100 -0.026 0.000 0.784 185 G HN 0.329 nan 8.290 nan 0.000 0.545 186 V N 1.032 120.928 119.914 -0.030 0.000 2.439 186 V HA -0.250 3.870 4.120 0.000 0.000 0.253 186 V C 2.796 178.874 176.094 -0.027 0.000 1.074 186 V CA 2.363 64.645 62.300 -0.030 0.000 1.076 186 V CB -0.519 31.284 31.823 -0.033 0.000 0.664 186 V HN 0.466 nan 8.190 nan 0.000 0.461 187 R N -0.268 120.217 120.500 -0.025 0.000 2.075 187 R HA -0.110 4.230 4.340 0.000 0.000 0.232 187 R C 2.233 178.519 176.300 -0.023 0.000 1.126 187 R CA 1.579 57.665 56.100 -0.023 0.000 0.963 187 R CB -0.328 29.960 30.300 -0.020 0.000 0.858 187 R HN 0.359 nan 8.270 nan 0.000 0.435 188 V N 1.437 121.336 119.914 -0.025 0.000 2.287 188 V HA -0.276 3.844 4.120 0.000 0.000 0.248 188 V C 2.284 178.359 176.094 -0.030 0.000 1.053 188 V CA 1.696 63.980 62.300 -0.027 0.000 1.027 188 V CB -0.455 31.352 31.823 -0.027 0.000 0.646 188 V HN 0.251 nan 8.190 nan 0.000 0.447 189 L N -0.736 120.468 121.223 -0.031 0.000 1.989 189 L HA -0.194 4.146 4.340 0.000 0.000 0.211 189 L C 2.584 179.437 176.870 -0.029 0.000 1.071 189 L CA 2.079 56.899 54.840 -0.034 0.000 0.749 189 L CB -1.332 40.709 42.059 -0.030 0.000 0.890 189 L HN 0.324 nan 8.230 nan 0.000 0.431 190 C N -1.151 118.135 119.300 -0.025 0.000 2.401 190 C HA -0.226 4.234 4.460 0.000 0.000 0.276 190 C C 2.984 177.961 174.990 -0.023 0.000 1.233 190 C CA 0.987 59.992 59.018 -0.022 0.000 1.753 190 C CB -0.705 27.023 27.740 -0.020 0.000 2.029 190 C HN 0.584 nan 8.230 nan 0.000 0.478 191 Q N 1.028 120.814 119.800 -0.024 0.000 2.050 191 Q HA -0.037 4.303 4.340 0.000 0.000 0.202 191 Q C 2.272 178.256 176.000 -0.026 0.000 0.980 191 Q CA 2.339 58.129 55.803 -0.023 0.000 0.840 191 Q CB -0.856 27.869 28.738 -0.022 0.000 0.898 191 Q HN 0.582 nan 8.270 nan 0.000 0.424 192 G N 0.575 109.355 108.800 -0.033 0.000 2.440 192 G HA2 -0.250 3.711 3.960 0.000 0.000 0.218 192 G HA3 -0.250 3.711 3.960 0.000 0.000 0.218 192 G C 1.445 176.323 174.900 -0.038 0.000 1.154 192 G CA 0.824 45.899 45.100 -0.041 0.000 0.767 192 G HN 0.384 nan 8.290 nan 0.000 0.552 193 L N -0.173 121.032 121.223 -0.031 0.000 2.012 193 L HA -0.057 4.283 4.340 0.000 0.000 0.210 193 L C 2.884 179.745 176.870 -0.015 0.000 1.073 193 L CA 1.724 56.553 54.840 -0.018 0.000 0.748 193 L CB -0.224 41.829 42.059 -0.009 0.000 0.891 193 L HN 0.235 nan 8.230 nan 0.000 0.431 194 K N -0.481 119.908 120.400 -0.019 0.000 2.288 194 K HA -0.142 4.179 4.320 0.000 0.000 0.201 194 K C 0.691 177.282 176.600 -0.016 0.000 1.048 194 K CA 0.998 57.274 56.287 -0.019 0.000 0.956 194 K CB 0.150 32.636 32.500 -0.022 0.000 0.746 194 K HN 0.238 nan 8.250 nan 0.000 0.461 195 D N 0.270 120.659 120.400 -0.019 0.000 2.323 195 D HA 0.001 4.641 4.640 0.000 0.000 0.239 195 D C -0.389 175.901 176.300 -0.018 0.000 1.129 195 D CA 0.286 54.275 54.000 -0.018 0.000 0.865 195 D CB 0.555 41.341 40.800 -0.022 0.000 0.913 195 D HN -0.033 nan 8.370 nan 0.000 0.517 196 S N -0.007 115.685 115.700 -0.014 0.000 2.542 196 S HA 0.453 4.923 4.470 0.000 0.000 0.293 196 S C -2.279 172.324 174.600 0.004 0.000 1.089 196 S CA -1.503 56.692 58.200 -0.008 0.000 0.961 196 S CB 1.856 65.049 63.200 -0.011 0.000 1.062 196 S HN -0.175 nan 8.310 nan 0.000 0.483 197 P HA 0.191 nan 4.420 nan 0.000 0.257 197 P C 0.696 178.011 177.300 0.026 0.000 1.281 197 P CA -0.149 62.959 63.100 0.015 0.000 0.826 197 P CB -1.102 30.606 31.700 0.014 0.000 1.237 198 C N 0.268 119.592 119.300 0.040 0.000 2.657 198 C HA 0.231 4.691 4.460 0.000 0.000 0.420 198 C C 0.894 175.911 174.990 0.047 0.000 1.323 198 C CA -0.448 58.608 59.018 0.063 0.000 1.894 198 C CB -0.377 27.433 27.740 0.116 0.000 2.681 198 C HN 0.182 nan 8.230 nan 0.000 0.613 199 Q N 2.306 122.130 119.800 0.041 0.000 3.135 199 Q HA 0.298 4.638 4.340 0.000 0.000 0.344 199 Q C -0.058 175.956 176.000 0.024 0.000 1.321 199 Q CA -0.113 55.706 55.803 0.025 0.000 1.050 199 Q CB 0.388 29.137 28.738 0.017 0.000 1.498 199 Q HN 0.881 nan 8.270 nan 0.000 0.503 200 L N 1.038 122.283 121.223 0.038 0.000 2.514 200 L HA -0.116 4.224 4.340 0.000 0.000 0.280 200 L C 1.229 178.107 176.870 0.013 0.000 1.223 200 L CA 1.083 55.945 54.840 0.037 0.000 0.864 200 L CB 0.606 42.703 42.059 0.064 0.000 1.118 200 L HN 0.379 nan 8.230 nan 0.000 0.494 201 E N 2.978 123.176 120.200 -0.002 0.000 2.290 201 E HA 0.314 4.664 4.350 0.000 0.000 0.199 201 E C -0.318 176.277 176.600 -0.007 0.000 0.912 201 E CA 0.389 56.784 56.400 -0.008 0.000 0.924 201 E CB 0.445 30.132 29.700 -0.021 0.000 0.901 201 E HN 0.671 nan 8.360 nan 0.000 0.487 202 A N 1.256 124.068 122.820 -0.012 0.000 2.435 202 A HA 0.655 4.975 4.320 0.000 0.000 0.304 202 A C -1.696 175.889 177.584 0.002 0.000 1.064 202 A CA -0.560 51.469 52.037 -0.013 0.000 0.727 202 A CB 1.586 20.563 19.000 -0.038 0.000 1.284 202 A HN 0.083 nan 8.150 nan 0.000 0.415 203 L N 1.145 122.372 121.223 0.006 0.000 2.470 203 L HA 0.620 4.960 4.340 0.000 0.000 0.268 203 L C -1.075 175.799 176.870 0.007 0.000 0.964 203 L CA -0.190 54.659 54.840 0.016 0.000 0.839 203 L CB 1.762 43.833 42.059 0.020 0.000 1.276 203 L HN 0.679 nan 8.230 nan 0.000 0.403 204 K N 6.270 126.670 120.400 0.001 0.000 2.292 204 K HA 0.657 4.977 4.320 0.000 0.000 0.257 204 K C -0.631 175.962 176.600 -0.013 0.000 0.940 204 K CA -0.482 55.802 56.287 -0.004 0.000 0.811 204 K CB 2.030 34.518 32.500 -0.020 0.000 1.120 204 K HN 0.630 nan 8.250 nan 0.000 0.428 205 L N 2.253 123.465 121.223 -0.018 0.000 3.425 205 L HA 0.163 4.503 4.340 0.000 0.000 0.330 205 L C -0.177 176.653 176.870 -0.066 0.000 1.317 205 L CA -0.245 54.570 54.840 -0.042 0.000 0.940 205 L CB 0.614 42.649 42.059 -0.040 0.000 1.378 205 L HN 0.570 nan 8.230 nan 0.000 0.611 206 E N 0.206 120.376 120.200 -0.050 0.000 2.422 206 E HA 0.104 4.454 4.350 0.000 0.000 0.260 206 E C 0.482 177.011 176.600 -0.117 0.000 1.108 206 E CA -0.056 56.288 56.400 -0.092 0.000 0.943 206 E CB 0.420 30.151 29.700 0.052 0.000 0.961 206 E HN 0.139 nan 8.360 nan 0.000 0.443 207 S N -0.033 115.566 115.700 -0.168 0.000 3.427 207 S HA -0.198 4.272 4.470 0.000 0.000 0.373 207 S C 0.269 174.798 174.600 -0.119 0.000 0.973 207 S CA 0.291 58.413 58.200 -0.131 0.000 1.218 207 S CB -1.319 61.832 63.200 -0.081 0.000 0.912 207 S HN 0.573 nan 8.310 nan 0.000 0.483 208 C N 0.124 119.358 119.300 -0.109 0.000 3.104 208 C HA 0.511 4.971 4.460 0.000 0.000 0.284 208 C C 1.858 176.806 174.990 -0.070 0.000 1.326 208 C CA -0.054 58.911 59.018 -0.088 0.000 1.725 208 C CB -0.775 26.918 27.740 -0.079 0.000 2.156 208 C HN 1.193 nan 8.230 nan 0.000 0.638 209 G N 1.440 110.196 108.800 -0.073 0.000 2.160 209 G HA2 -0.214 3.746 3.960 0.000 0.000 0.251 209 G HA3 -0.214 3.746 3.960 0.000 0.000 0.251 209 G C 0.073 174.938 174.900 -0.059 0.000 1.008 209 G CA 0.356 45.421 45.100 -0.059 0.000 0.724 209 G HN 0.411 nan 8.290 nan 0.000 0.514 210 V N 1.737 121.608 119.914 -0.071 0.000 2.599 210 V HA 0.457 4.577 4.120 0.000 0.000 0.300 210 V C 1.341 177.398 176.094 -0.062 0.000 1.034 210 V CA 0.821 63.081 62.300 -0.065 0.000 1.115 210 V CB 0.722 32.499 31.823 -0.077 0.000 0.934 210 V HN 0.743 nan 8.190 nan 0.000 0.485 211 T N 1.582 116.107 114.554 -0.049 0.000 2.889 211 T HA 0.324 4.675 4.350 0.000 0.000 0.278 211 T C 1.197 175.873 174.700 -0.039 0.000 0.995 211 T CA -0.146 61.928 62.100 -0.043 0.000 0.966 211 T CB 1.399 70.247 68.868 -0.034 0.000 1.237 211 T HN 0.401 nan 8.240 nan 0.000 0.591 212 S N 0.516 116.196 115.700 -0.034 0.000 2.368 212 S HA -0.112 4.359 4.470 0.000 0.000 0.224 212 S C 1.669 176.255 174.600 -0.024 0.000 1.029 212 S CA 1.223 59.405 58.200 -0.029 0.000 0.988 212 S CB -0.580 62.606 63.200 -0.024 0.000 0.838 212 S HN 0.719 nan 8.310 nan 0.000 0.462 213 D N 1.438 121.825 120.400 -0.022 0.000 2.097 213 D HA -0.067 4.573 4.640 0.000 0.000 0.195 213 D C 1.602 177.890 176.300 -0.020 0.000 0.989 213 D CA 0.830 54.819 54.000 -0.019 0.000 0.827 213 D CB -0.696 40.094 40.800 -0.017 0.000 0.966 213 D HN 0.422 nan 8.370 nan 0.000 0.456 214 N N -0.077 118.608 118.700 -0.024 0.000 2.247 214 N HA -0.160 4.581 4.740 0.000 0.000 0.189 214 N C 1.605 177.101 175.510 -0.024 0.000 1.009 214 N CA 0.560 53.594 53.050 -0.026 0.000 0.872 214 N CB -0.013 38.455 38.487 -0.032 0.000 0.980 214 N HN 0.140 nan 8.380 nan 0.000 0.436 215 C N 0.412 119.697 119.300 -0.024 0.000 2.430 215 C HA 0.024 4.484 4.460 0.000 0.000 0.288 215 C C 2.182 177.163 174.990 -0.014 0.000 1.448 215 C CA 0.340 59.345 59.018 -0.021 0.000 1.784 215 C CB -1.082 26.645 27.740 -0.021 0.000 1.776 215 C HN 0.417 nan 8.230 nan 0.000 0.547 216 R N 0.262 120.754 120.500 -0.013 0.000 2.246 216 R HA -0.018 4.323 4.340 0.000 0.000 0.199 216 R C 1.266 177.559 176.300 -0.011 0.000 0.984 216 R CA 0.712 56.807 56.100 -0.010 0.000 1.015 216 R CB -0.167 30.128 30.300 -0.009 0.000 0.930 216 R HN 0.600 nan 8.270 nan 0.000 0.475 217 D N 0.701 121.092 120.400 -0.015 0.000 2.249 217 D HA -0.023 4.618 4.640 0.000 0.000 0.205 217 D C 1.877 178.167 176.300 -0.017 0.000 0.962 217 D CA 0.777 54.767 54.000 -0.016 0.000 0.860 217 D CB 0.299 41.087 40.800 -0.019 0.000 0.955 217 D HN 0.176 nan 8.370 nan 0.000 0.505 218 L N 0.382 121.595 121.223 -0.016 0.000 2.209 218 L HA -0.028 4.312 4.340 0.000 0.000 0.207 218 L C 2.676 179.538 176.870 -0.014 0.000 1.094 218 L CA 0.244 55.074 54.840 -0.015 0.000 0.790 218 L CB -0.234 41.815 42.059 -0.015 0.000 0.932 218 L HN 0.119 nan 8.230 nan 0.000 0.447 219 C N 0.653 119.946 119.300 -0.010 0.000 2.410 219 C HA -0.103 4.357 4.460 0.000 0.000 0.281 219 C C 2.720 177.701 174.990 -0.015 0.000 1.318 219 C CA 1.087 60.102 59.018 -0.006 0.000 1.776 219 C CB -1.246 26.494 27.740 0.001 0.000 1.942 219 C HN 0.639 nan 8.230 nan 0.000 0.508 220 G N 0.039 108.827 108.800 -0.020 0.000 2.572 220 G HA2 0.031 3.991 3.960 0.000 0.000 0.216 220 G HA3 0.031 3.991 3.960 0.000 0.000 0.216 220 G C 1.365 176.237 174.900 -0.046 0.000 1.133 220 G CA 0.655 45.738 45.100 -0.030 0.000 0.791 220 G HN 0.486 nan 8.290 nan 0.000 0.538 221 I N 0.811 121.358 120.570 -0.037 0.000 2.296 221 I HA -0.022 4.148 4.170 0.000 0.000 0.242 221 I C 2.842 178.926 176.117 -0.054 0.000 1.087 221 I CA 0.606 61.884 61.300 -0.038 0.000 1.393 221 I CB -1.182 36.805 38.000 -0.020 0.000 1.093 221 I HN -0.012 nan 8.210 nan 0.000 0.421 222 V N 1.744 121.632 119.914 -0.044 0.000 2.392 222 V HA -0.241 3.879 4.120 0.000 0.000 0.249 222 V C 2.815 178.842 176.094 -0.113 0.000 1.059 222 V CA 1.872 64.145 62.300 -0.045 0.000 1.051 222 V CB -1.077 30.740 31.823 -0.010 0.000 0.658 222 V HN 0.456 nan 8.190 nan 0.000 0.455 223 A N 0.392 123.109 122.820 -0.171 0.000 1.929 223 A HA -0.128 4.192 4.320 0.000 0.000 0.216 223 A C 2.487 179.714 177.584 -0.594 0.000 1.176 223 A CA 1.833 53.592 52.037 -0.464 0.000 0.628 223 A CB -0.479 18.367 19.000 -0.257 0.000 0.816 223 A HN 0.662 nan 8.150 nan 0.000 0.444 224 S N -0.841 114.696 115.700 -0.271 0.000 2.425 224 S HA 0.074 4.545 4.470 0.000 0.000 0.225 224 S C 0.700 175.229 174.600 -0.118 0.000 1.024 224 S CA 0.317 58.410 58.200 -0.178 0.000 0.951 224 S CB -0.016 63.127 63.200 -0.094 0.000 0.796 224 S HN 0.237 nan 8.310 nan 0.000 0.498 225 K N 2.213 122.558 120.400 -0.092 0.000 2.244 225 K HA 0.559 4.879 4.320 0.000 0.000 0.263 225 K C 0.622 177.199 176.600 -0.040 0.000 1.103 225 K CA 0.115 56.375 56.287 -0.045 0.000 0.966 225 K CB 0.680 33.168 32.500 -0.021 0.000 1.429 225 K HN 0.317 nan 8.250 nan 0.000 0.434 226 A N 1.593 124.396 122.820 -0.029 0.000 2.121 226 A HA -0.116 4.204 4.320 0.000 0.000 0.218 226 A C 1.743 179.334 177.584 0.012 0.000 1.154 226 A CA 1.538 53.575 52.037 0.001 0.000 0.679 226 A CB -0.166 18.850 19.000 0.027 0.000 0.795 226 A HN 0.572 nan 8.150 nan 0.000 0.458 227 S N -1.103 114.601 115.700 0.007 0.000 2.593 227 S HA 0.247 4.718 4.470 0.000 0.000 0.217 227 S C 0.362 174.968 174.600 0.009 0.000 0.966 227 S CA -0.378 57.828 58.200 0.011 0.000 0.914 227 S CB -0.561 62.645 63.200 0.010 0.000 0.776 227 S HN 0.277 nan 8.310 nan 0.000 0.523 228 L N 2.869 124.097 121.223 0.008 0.000 2.462 228 L HA 0.343 4.683 4.340 0.000 0.000 0.272 228 L C 1.144 178.023 176.870 0.016 0.000 1.166 228 L CA 0.207 55.052 54.840 0.009 0.000 0.880 228 L CB 0.386 42.449 42.059 0.006 0.000 1.142 228 L HN 0.050 nan 8.230 nan 0.000 0.473 229 R N 2.632 123.140 120.500 0.013 0.000 2.257 229 R HA 0.236 4.576 4.340 0.000 0.000 0.195 229 R C -0.218 176.095 176.300 0.022 0.000 0.921 229 R CA 0.193 56.304 56.100 0.018 0.000 1.069 229 R CB 0.234 30.541 30.300 0.011 0.000 1.115 229 R HN 0.732 nan 8.270 nan 0.000 0.571 230 E N 1.055 121.262 120.200 0.011 0.000 2.224 230 E HA 0.339 4.689 4.350 0.000 0.000 0.265 230 E C -1.580 175.033 176.600 0.022 0.000 0.878 230 E CA -0.634 55.773 56.400 0.010 0.000 0.759 230 E CB 1.310 30.991 29.700 -0.032 0.000 1.164 230 E HN -0.133 nan 8.360 nan 0.000 0.414 231 L N 4.294 125.548 121.223 0.052 0.000 2.415 231 L HA 0.646 4.986 4.340 0.000 0.000 0.268 231 L C -1.518 175.412 176.870 0.099 0.000 0.984 231 L CA -0.302 54.571 54.840 0.055 0.000 0.853 231 L CB 1.404 43.493 42.059 0.050 0.000 1.215 231 L HN 0.591 nan 8.230 nan 0.000 0.419 232 A N 5.659 128.533 122.820 0.090 0.000 2.271 232 A HA 0.749 5.069 4.320 0.000 0.000 0.317 232 A C -0.160 177.472 177.584 0.081 0.000 1.245 232 A CA -0.334 51.801 52.037 0.163 0.000 0.857 232 A CB 0.506 19.593 19.000 0.145 0.000 1.175 232 A HN 0.806 nan 8.150 nan 0.000 0.512 233 L N 3.247 124.495 121.223 0.041 0.000 3.439 233 L HA 0.251 4.592 4.340 0.000 0.000 0.313 233 L C 1.179 177.871 176.870 -0.296 0.000 1.292 233 L CA -0.378 54.406 54.840 -0.093 0.000 1.020 233 L CB 0.493 42.509 42.059 -0.073 0.000 1.424 233 L HN 0.838 nan 8.230 nan 0.000 0.612 234 G N -0.736 107.770 108.800 -0.491 0.000 2.554 234 G HA2 0.187 4.147 3.960 0.000 0.000 0.238 234 G HA3 0.187 4.147 3.960 0.000 0.000 0.238 234 G C 0.712 174.822 174.900 -1.316 0.000 1.259 234 G CA 0.555 44.769 45.100 -1.477 0.000 0.843 234 G HN 0.212 nan 8.290 nan 0.000 0.582 235 S N -0.134 114.750 115.700 -1.360 0.000 3.783 235 S HA -0.170 4.300 4.470 0.000 0.000 0.360 235 S C 0.123 174.489 174.600 -0.390 0.000 1.006 235 S CA 0.780 58.536 58.200 -0.740 0.000 1.115 235 S CB -1.590 61.219 63.200 -0.651 0.000 0.893 235 S HN 0.820 nan 8.310 nan 0.000 0.475 236 N N 1.030 119.532 118.700 -0.331 0.000 2.235 236 N HA 0.256 4.996 4.740 0.000 0.000 0.293 236 N C -0.834 174.582 175.510 -0.156 0.000 1.083 236 N CA -0.771 52.157 53.050 -0.203 0.000 0.801 236 N CB 1.429 39.805 38.487 -0.185 0.000 1.559 236 N HN 0.257 nan 8.380 nan 0.000 0.472 237 K N 2.461 122.796 120.400 -0.108 0.000 2.480 237 K HA 0.238 4.559 4.320 0.000 0.000 0.241 237 K C 1.177 177.736 176.600 -0.069 0.000 1.261 237 K CA 0.023 56.261 56.287 -0.080 0.000 1.193 237 K CB 0.011 32.475 32.500 -0.059 0.000 1.598 237 K HN 0.372 nan 8.250 nan 0.000 0.278 238 L N 0.317 121.494 121.223 -0.078 0.000 2.044 238 L HA -0.028 4.312 4.340 0.000 0.000 0.205 238 L C 1.266 178.110 176.870 -0.044 0.000 1.075 238 L CA 0.825 55.629 54.840 -0.060 0.000 0.747 238 L CB -0.949 41.071 42.059 -0.066 0.000 0.903 238 L HN 0.723 nan 8.230 nan 0.000 0.435 239 G N 0.374 109.147 108.800 -0.044 0.000 2.796 239 G HA2 -0.265 3.696 3.960 0.000 0.000 0.226 239 G HA3 -0.265 3.696 3.960 0.000 0.000 0.226 239 G C -0.057 174.830 174.900 -0.020 0.000 1.381 239 G CA 0.018 45.100 45.100 -0.029 0.000 0.867 239 G HN 0.193 nan 8.290 nan 0.000 0.552 240 D N -0.785 119.608 120.400 -0.012 0.000 2.144 240 D HA -0.033 4.607 4.640 0.000 0.000 0.200 240 D C 2.745 179.041 176.300 -0.007 0.000 0.978 240 D CA 1.481 55.477 54.000 -0.006 0.000 0.833 240 D CB -0.233 40.566 40.800 -0.002 0.000 0.961 240 D HN 0.320 nan 8.370 nan 0.000 0.470 241 V N 0.929 120.837 119.914 -0.009 0.000 2.343 241 V HA -0.143 3.977 4.120 0.000 0.000 0.247 241 V C 2.515 178.602 176.094 -0.011 0.000 1.051 241 V CA 1.991 64.286 62.300 -0.009 0.000 1.036 241 V CB -0.955 30.862 31.823 -0.010 0.000 0.654 241 V HN 0.220 nan 8.190 nan 0.000 0.451 242 G N -0.571 108.220 108.800 -0.016 0.000 2.414 242 G HA2 -0.331 3.630 3.960 0.000 0.000 0.215 242 G HA3 -0.331 3.630 3.960 0.000 0.000 0.215 242 G C 1.571 176.462 174.900 -0.014 0.000 1.188 242 G CA 1.240 46.328 45.100 -0.019 0.000 0.783 242 G HN 0.397 nan 8.290 nan 0.000 0.537 243 M N 1.773 121.365 119.600 -0.014 0.000 2.106 243 M HA 0.010 4.490 4.480 0.000 0.000 0.259 243 M C 2.610 178.909 176.300 -0.000 0.000 1.068 243 M CA 1.702 56.998 55.300 -0.006 0.000 1.100 243 M CB -0.558 32.040 32.600 -0.004 0.000 1.351 243 M HN 0.252 nan 8.290 nan 0.000 0.404 244 A N -0.626 122.194 122.820 -0.001 0.000 1.902 244 A HA -0.196 4.124 4.320 0.000 0.000 0.217 244 A C 2.041 179.627 177.584 0.003 0.000 1.181 244 A CA 2.010 54.048 52.037 0.002 0.000 0.623 244 A CB -0.908 18.093 19.000 0.001 0.000 0.818 244 A HN 0.683 nan 8.150 nan 0.000 0.443 245 E N -0.636 119.564 120.200 0.000 0.000 2.204 245 E HA -0.133 4.217 4.350 0.000 0.000 0.194 245 E C 1.686 178.289 176.600 0.004 0.000 0.989 245 E CA 0.710 57.111 56.400 0.001 0.000 0.824 245 E CB -0.171 29.527 29.700 -0.003 0.000 0.756 245 E HN 0.417 nan 8.360 nan 0.000 0.477 246 L N 0.417 121.642 121.223 0.004 0.000 2.056 246 L HA -0.194 4.146 4.340 0.000 0.000 0.207 246 L C 2.303 179.183 176.870 0.016 0.000 1.078 246 L CA 1.228 56.072 54.840 0.008 0.000 0.749 246 L CB -0.949 41.114 42.059 0.006 0.000 0.901 246 L HN 0.288 nan 8.230 nan 0.000 0.433 247 C N 0.002 119.312 119.300 0.017 0.000 2.353 247 C HA -0.211 4.249 4.460 0.000 0.000 0.272 247 C C 0.317 175.325 174.990 0.029 0.000 1.165 247 C CA 1.184 60.215 59.018 0.022 0.000 1.786 247 C CB -2.028 25.722 27.740 0.016 0.000 2.071 247 C HN 0.363 nan 8.230 nan 0.000 0.451 248 P HA -0.055 nan 4.420 nan 0.000 0.220 248 P C 1.438 178.777 177.300 0.065 0.000 1.144 248 P CA 2.353 65.476 63.100 0.039 0.000 0.800 248 P CB -0.311 31.408 31.700 0.031 0.000 0.772 249 G N -0.660 108.171 108.800 0.052 0.000 2.417 249 G HA2 -0.131 3.829 3.960 0.000 0.000 0.212 249 G HA3 -0.131 3.829 3.960 0.000 0.000 0.212 249 G C 1.376 176.318 174.900 0.070 0.000 1.187 249 G CA 0.102 45.236 45.100 0.056 0.000 0.804 249 G HN 0.206 nan 8.290 nan 0.000 0.534 250 L N 0.117 121.370 121.223 0.050 0.000 2.265 250 L HA 0.064 4.404 4.340 0.000 0.000 0.215 250 L C 2.258 179.163 176.870 0.059 0.000 1.117 250 L CA 0.455 55.325 54.840 0.050 0.000 0.782 250 L CB -0.158 41.924 42.059 0.039 0.000 0.914 250 L HN 0.180 nan 8.230 nan 0.000 0.441 251 L N -1.764 119.497 121.223 0.063 0.000 2.607 251 L HA 0.071 4.412 4.340 0.000 0.000 0.228 251 L C 1.004 177.914 176.870 0.067 0.000 1.123 251 L CA -0.310 54.560 54.840 0.050 0.000 0.890 251 L CB -0.319 41.757 42.059 0.028 0.000 1.103 251 L HN 0.204 nan 8.230 nan 0.000 0.468 252 H N 2.036 121.109 119.070 0.006 0.000 2.803 252 H HA 0.059 4.615 4.556 0.000 0.000 0.330 252 H C -1.787 173.545 175.328 0.006 0.000 1.057 252 H CA -1.408 54.643 56.048 0.005 0.000 1.458 252 H CB 1.625 31.391 29.762 0.006 0.000 1.470 252 H HN -0.125 nan 8.280 nan 0.000 0.560 253 P HA -0.255 nan 4.420 nan 0.000 0.219 253 P C 1.498 178.859 177.300 0.101 0.000 1.158 253 P CA 2.837 65.883 63.100 -0.090 0.000 0.895 253 P CB 0.075 31.640 31.700 -0.225 0.000 0.792 254 S N -2.494 113.403 115.700 0.328 0.000 2.561 254 S HA 0.033 4.503 4.470 0.000 0.000 0.225 254 S C 1.107 175.798 174.600 0.151 0.000 0.977 254 S CA -0.002 58.337 58.200 0.231 0.000 0.926 254 S CB -0.815 62.529 63.200 0.240 0.000 0.769 254 S HN 0.042 nan 8.310 nan 0.000 0.533 255 S N 1.466 117.275 115.700 0.182 0.000 2.499 255 S HA 0.406 4.877 4.470 0.000 0.000 0.275 255 S C 0.210 174.850 174.600 0.065 0.000 1.257 255 S CA -0.698 57.554 58.200 0.086 0.000 1.050 255 S CB 0.174 63.422 63.200 0.080 0.000 0.937 255 S HN 0.527 nan 8.310 nan 0.000 0.490 256 R N 3.532 124.059 120.500 0.045 0.000 2.734 256 R HA 0.212 4.552 4.340 0.000 0.000 0.395 256 R C -0.778 175.543 176.300 0.035 0.000 1.096 256 R CA -0.597 55.525 56.100 0.037 0.000 1.071 256 R CB 0.392 30.712 30.300 0.032 0.000 1.348 256 R HN 0.540 nan 8.270 nan 0.000 0.600 257 L N 1.348 122.594 121.223 0.038 0.000 2.543 257 L HA -0.049 4.291 4.340 0.000 0.000 0.285 257 L C 1.461 178.361 176.870 0.050 0.000 1.236 257 L CA 1.018 55.883 54.840 0.042 0.000 0.871 257 L CB 0.450 42.537 42.059 0.047 0.000 1.121 257 L HN 0.256 nan 8.230 nan 0.000 0.501 258 R N 1.495 122.028 120.500 0.055 0.000 2.146 258 R HA 0.180 4.520 4.340 0.000 0.000 0.206 258 R C -0.367 175.993 176.300 0.100 0.000 1.049 258 R CA 0.696 56.836 56.100 0.067 0.000 1.029 258 R CB 0.447 30.780 30.300 0.055 0.000 0.949 258 R HN 0.750 nan 8.270 nan 0.000 0.471 259 T N 1.618 116.235 114.554 0.106 0.000 2.890 259 T HA 0.312 4.663 4.350 0.000 0.000 0.295 259 T C -1.616 173.196 174.700 0.186 0.000 0.993 259 T CA -0.549 61.649 62.100 0.164 0.000 0.979 259 T CB 1.777 70.717 68.868 0.121 0.000 0.967 259 T HN 0.053 nan 8.240 nan 0.000 0.441 260 L N 3.871 125.232 121.223 0.229 0.000 2.276 260 L HA 0.553 4.893 4.340 0.000 0.000 0.286 260 L C -1.155 175.899 176.870 0.307 0.000 1.024 260 L CA -0.530 54.437 54.840 0.210 0.000 0.826 260 L CB 0.522 42.664 42.059 0.139 0.000 1.211 260 L HN 0.756 nan 8.230 nan 0.000 0.422 261 W N 8.739 130.074 121.300 0.059 0.000 2.282 261 W HA 0.437 5.097 4.660 0.000 0.000 0.322 261 W C -0.564 176.013 176.519 0.097 0.000 1.011 261 W CA -0.721 56.690 57.345 0.109 0.000 1.392 261 W CB 1.367 30.887 29.460 0.099 0.000 1.215 261 W HN 0.608 nan 8.180 nan 0.000 0.394 262 I N 4.661 125.251 120.570 0.032 0.000 2.948 262 I HA 0.256 4.427 4.170 0.000 0.000 0.308 262 I C -0.134 175.901 176.117 -0.137 0.000 1.478 262 I CA -0.648 60.596 61.300 -0.094 0.000 0.843 262 I CB -0.372 37.601 38.000 -0.045 0.000 2.100 262 I HN 0.078 nan 8.210 nan 0.000 0.625 263 W N 2.007 123.178 121.300 -0.215 0.000 2.251 263 W HA 0.479 5.139 4.660 0.000 0.000 0.329 263 W C 0.079 176.531 176.519 -0.111 0.000 1.234 263 W CA -0.708 56.514 57.345 -0.206 0.000 1.228 263 W CB -0.067 29.221 29.460 -0.286 0.000 1.135 263 W HN 0.536 nan 8.180 nan 0.000 0.576 264 E N 0.621 120.833 120.200 0.021 0.000 2.210 264 E HA -0.217 4.133 4.350 0.000 0.000 0.201 264 E C 0.081 176.557 176.600 -0.206 0.000 1.339 264 E CA 0.262 56.622 56.400 -0.068 0.000 0.699 264 E CB -1.513 28.188 29.700 0.001 0.000 1.126 264 E HN 0.493 nan 8.360 nan 0.000 0.355 265 C N 0.515 119.719 119.300 -0.158 0.000 2.881 265 C HA 0.327 4.787 4.460 0.000 0.000 0.290 265 C C 1.747 176.681 174.990 -0.092 0.000 1.362 265 C CA 0.257 59.181 59.018 -0.156 0.000 1.757 265 C CB -0.606 27.045 27.740 -0.148 0.000 2.265 265 C HN 0.926 nan 8.230 nan 0.000 0.600 266 G N 1.832 110.590 108.800 -0.069 0.000 2.203 266 G HA2 -0.256 3.704 3.960 0.000 0.000 0.263 266 G HA3 -0.256 3.704 3.960 0.000 0.000 0.263 266 G C 0.003 174.885 174.900 -0.029 0.000 1.012 266 G CA 0.139 45.213 45.100 -0.044 0.000 0.749 266 G HN 0.616 nan 8.290 nan 0.000 0.512 267 I N 1.111 121.665 120.570 -0.026 0.000 2.532 267 I HA 0.514 4.685 4.170 0.000 0.000 0.292 267 I C 1.206 177.327 176.117 0.007 0.000 1.014 267 I CA 0.159 61.454 61.300 -0.009 0.000 1.340 267 I CB 1.408 39.405 38.000 -0.005 0.000 1.422 267 I HN 0.338 nan 8.210 nan 0.000 0.528 268 T N 1.184 115.748 114.554 0.016 0.000 2.762 268 T HA 0.529 4.879 4.350 0.000 0.000 0.272 268 T C 0.980 175.705 174.700 0.043 0.000 0.982 268 T CA -0.144 61.974 62.100 0.030 0.000 1.013 268 T CB 1.317 70.199 68.868 0.023 0.000 1.309 268 T HN 0.530 nan 8.240 nan 0.000 0.572 269 A N 0.398 123.249 122.820 0.052 0.000 1.978 269 A HA -0.062 4.259 4.320 0.000 0.000 0.220 269 A C 2.268 179.869 177.584 0.029 0.000 1.170 269 A CA 1.784 53.851 52.037 0.050 0.000 0.636 269 A CB -1.059 17.970 19.000 0.048 0.000 0.810 269 A HN 0.856 nan 8.150 nan 0.000 0.448 270 K N -1.031 119.383 120.400 0.022 0.000 2.002 270 K HA -0.108 4.213 4.320 0.000 0.000 0.209 270 K C 2.121 178.729 176.600 0.012 0.000 1.048 270 K CA 1.270 57.565 56.287 0.013 0.000 0.930 270 K CB -0.451 32.055 32.500 0.010 0.000 0.714 270 K HN 0.465 nan 8.250 nan 0.000 0.438 271 G N 0.510 109.318 108.800 0.014 0.000 2.448 271 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 271 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 271 G C 1.617 176.528 174.900 0.019 0.000 1.135 271 G CA 0.616 45.723 45.100 0.012 0.000 0.784 271 G HN 0.392 nan 8.290 nan 0.000 0.543 272 C N 0.935 120.252 119.300 0.029 0.000 2.453 272 C HA 0.115 4.575 4.460 0.000 0.000 0.277 272 C C 3.234 178.238 174.990 0.023 0.000 1.262 272 C CA 1.513 60.554 59.018 0.038 0.000 1.718 272 C CB -1.063 26.713 27.740 0.061 0.000 2.031 272 C HN 0.410 nan 8.230 nan 0.000 0.480 273 G N -0.126 108.682 108.800 0.014 0.000 2.442 273 G HA2 -0.218 3.743 3.960 0.000 0.000 0.219 273 G HA3 -0.218 3.743 3.960 0.000 0.000 0.219 273 G C 1.264 176.165 174.900 0.003 0.000 1.141 273 G CA 1.365 46.466 45.100 0.002 0.000 0.763 273 G HN 0.562 nan 8.290 nan 0.000 0.554 274 D N -0.146 120.258 120.400 0.007 0.000 2.117 274 D HA -0.073 4.567 4.640 0.000 0.000 0.198 274 D C 2.355 178.661 176.300 0.011 0.000 0.982 274 D CA 0.440 54.444 54.000 0.007 0.000 0.828 274 D CB -0.302 40.503 40.800 0.008 0.000 0.967 274 D HN 0.245 nan 8.370 nan 0.000 0.464 275 L N 0.305 121.538 121.223 0.016 0.000 2.083 275 L HA -0.120 4.220 4.340 0.000 0.000 0.209 275 L C 1.968 178.850 176.870 0.020 0.000 1.083 275 L CA 1.469 56.323 54.840 0.022 0.000 0.752 275 L CB -0.449 41.630 42.059 0.032 0.000 0.899 275 L HN 0.054 nan 8.230 nan 0.000 0.433 276 C N -0.303 119.005 119.300 0.014 0.000 2.419 276 C HA -0.104 4.357 4.460 0.000 0.000 0.281 276 C C 2.775 177.766 174.990 0.000 0.000 1.336 276 C CA 0.621 59.642 59.018 0.005 0.000 1.770 276 C CB -1.242 26.494 27.740 -0.008 0.000 1.929 276 C HN 0.504 nan 8.230 nan 0.000 0.509 277 R N 0.722 121.223 120.500 0.002 0.000 2.092 277 R HA -0.112 4.228 4.340 0.000 0.000 0.231 277 R C 2.277 178.580 176.300 0.003 0.000 1.119 277 R CA 1.837 57.938 56.100 0.000 0.000 0.970 277 R CB -0.525 29.776 30.300 0.001 0.000 0.864 277 R HN 0.631 nan 8.270 nan 0.000 0.440 278 V N -0.849 119.071 119.914 0.010 0.000 2.453 278 V HA -0.144 3.976 4.120 0.000 0.000 0.247 278 V C 1.979 178.079 176.094 0.010 0.000 1.048 278 V CA 1.357 63.665 62.300 0.014 0.000 1.049 278 V CB -0.502 31.334 31.823 0.023 0.000 0.672 278 V HN 0.029 nan 8.190 nan 0.000 0.457 279 L N 1.710 122.940 121.223 0.011 0.000 1.994 279 L HA -0.114 4.226 4.340 0.000 0.000 0.208 279 L C 3.000 179.863 176.870 -0.011 0.000 1.071 279 L CA 2.844 57.687 54.840 0.006 0.000 0.745 279 L CB -1.127 40.939 42.059 0.013 0.000 0.892 279 L HN 0.568 nan 8.230 nan 0.000 0.431 280 R N -0.463 120.031 120.500 -0.011 0.000 2.193 280 R HA -0.057 4.283 4.340 0.000 0.000 0.229 280 R C 1.895 178.183 176.300 -0.019 0.000 1.110 280 R CA 1.314 57.403 56.100 -0.018 0.000 0.988 280 R CB -0.663 29.629 30.300 -0.013 0.000 0.871 280 R HN 0.264 nan 8.270 nan 0.000 0.458 281 A N 0.990 123.802 122.820 -0.013 0.000 2.044 281 A HA 0.123 4.443 4.320 0.000 0.000 0.213 281 A C 0.277 177.853 177.584 -0.014 0.000 1.169 281 A CA 0.269 52.299 52.037 -0.011 0.000 0.724 281 A CB 0.327 19.324 19.000 -0.004 0.000 0.840 281 A HN 0.041 nan 8.150 nan 0.000 0.463 282 K N 1.480 121.872 120.400 -0.014 0.000 2.414 282 K HA 0.252 4.573 4.320 0.000 0.000 0.251 282 K C -0.072 176.505 176.600 -0.038 0.000 1.037 282 K CA -0.095 56.183 56.287 -0.014 0.000 0.980 282 K CB 1.274 33.777 32.500 0.006 0.000 1.280 282 K HN 0.498 nan 8.250 nan 0.000 0.451 283 E N 0.402 120.564 120.200 -0.062 0.000 2.409 283 E HA -0.163 4.187 4.350 0.000 0.000 0.198 283 E C 1.068 177.614 176.600 -0.089 0.000 1.024 283 E CA 1.175 57.502 56.400 -0.120 0.000 0.861 283 E CB -0.113 29.503 29.700 -0.139 0.000 0.788 283 E HN 0.367 nan 8.360 nan 0.000 0.521 284 S N 0.282 115.959 115.700 -0.038 0.000 2.428 284 S HA -0.055 4.415 4.470 0.000 0.000 0.230 284 S C 0.899 175.505 174.600 0.010 0.000 1.014 284 S CA 0.016 58.211 58.200 -0.009 0.000 0.957 284 S CB -0.449 62.756 63.200 0.008 0.000 0.784 284 S HN 0.314 nan 8.310 nan 0.000 0.499 285 L N 2.406 123.637 121.223 0.013 0.000 2.477 285 L HA 0.282 4.623 4.340 0.000 0.000 0.272 285 L C 0.783 177.686 176.870 0.055 0.000 1.157 285 L CA 0.299 55.166 54.840 0.045 0.000 0.889 285 L CB 0.393 42.482 42.059 0.050 0.000 1.158 285 L HN -0.064 nan 8.230 nan 0.000 0.473 286 K N 3.435 123.890 120.400 0.093 0.000 2.387 286 K HA 0.279 4.599 4.320 0.000 0.000 0.197 286 K C -0.344 176.371 176.600 0.193 0.000 1.127 286 K CA 0.560 56.918 56.287 0.119 0.000 0.950 286 K CB 0.490 33.058 32.500 0.114 0.000 1.017 286 K HN 0.659 nan 8.250 nan 0.000 0.519 287 E N 1.167 121.510 120.200 0.237 0.000 2.241 287 E HA 0.332 4.682 4.350 0.000 0.000 0.263 287 E C -1.371 175.455 176.600 0.376 0.000 0.882 287 E CA -0.727 55.900 56.400 0.379 0.000 0.769 287 E CB 2.061 32.014 29.700 0.423 0.000 1.185 287 E HN -0.159 nan 8.360 nan 0.000 0.415 288 L N 2.359 123.828 121.223 0.410 0.000 2.376 288 L HA 0.428 4.768 4.340 0.000 0.000 0.275 288 L C -0.959 176.099 176.870 0.313 0.000 0.987 288 L CA -0.350 54.669 54.840 0.298 0.000 0.828 288 L CB 1.864 44.047 42.059 0.207 0.000 1.249 288 L HN 0.489 nan 8.230 nan 0.000 0.409 289 S N 5.244 120.964 115.700 0.034 0.000 2.577 289 S HA 0.539 5.010 4.470 0.000 0.000 0.294 289 S C -0.291 174.216 174.600 -0.155 0.000 1.161 289 S CA -0.559 57.479 58.200 -0.269 0.000 1.143 289 S CB 0.332 62.615 63.200 -1.527 0.000 0.991 289 S HN 0.639 nan 8.310 nan 0.000 0.475 290 L N 3.049 124.270 121.223 -0.003 0.000 2.956 290 L HA 0.505 4.845 4.340 0.000 0.000 0.232 290 L C 0.617 177.491 176.870 0.007 0.000 1.291 290 L CA -0.388 54.463 54.840 0.018 0.000 1.122 290 L CB 0.067 42.168 42.059 0.071 0.000 1.461 290 L HN 0.836 nan 8.230 nan 0.000 0.470 291 A N -0.438 122.372 122.820 -0.017 0.000 2.310 291 A HA 0.636 4.957 4.320 0.000 0.000 0.299 291 A C 1.244 178.844 177.584 0.027 0.000 1.147 291 A CA 0.489 52.509 52.037 -0.028 0.000 0.818 291 A CB 0.789 19.740 19.000 -0.083 0.000 1.096 291 A HN 0.716 nan 8.150 nan 0.000 0.495 292 G N 1.632 110.416 108.800 -0.025 0.000 2.179 292 G HA2 -0.222 3.738 3.960 0.000 0.000 0.260 292 G HA3 -0.222 3.738 3.960 0.000 0.000 0.260 292 G C 0.117 175.010 174.900 -0.012 0.000 0.977 292 G CA 0.242 45.346 45.100 0.005 0.000 0.641 292 G HN 0.783 nan 8.290 nan 0.000 0.533 293 N N 0.800 119.481 118.700 -0.032 0.000 2.479 293 N HA 0.289 5.029 4.740 0.000 0.000 0.285 293 N C -0.085 175.393 175.510 -0.052 0.000 1.075 293 N CA -0.303 52.730 53.050 -0.029 0.000 0.967 293 N CB 1.216 39.696 38.487 -0.011 0.000 1.137 293 N HN 0.445 nan 8.380 nan 0.000 0.472 294 E N 3.107 123.290 120.200 -0.028 0.000 1.842 294 E HA 0.031 4.381 4.350 0.000 0.000 0.278 294 E C 0.730 177.346 176.600 0.026 0.000 1.171 294 E CA -0.101 56.288 56.400 -0.019 0.000 1.127 294 E CB -0.243 29.456 29.700 -0.002 0.000 1.100 294 E HN 0.510 nan 8.360 nan 0.000 0.456 295 L N 2.413 123.664 121.223 0.046 0.000 2.209 295 L HA 0.171 4.511 4.340 0.000 0.000 0.207 295 L C 1.347 178.383 176.870 0.278 0.000 1.094 295 L CA 0.527 55.479 54.840 0.186 0.000 0.790 295 L CB -0.656 41.605 42.059 0.336 0.000 0.932 295 L HN 0.680 nan 8.230 nan 0.000 0.447 296 G N 0.545 109.531 108.800 0.311 0.000 2.877 296 G HA2 -0.282 3.678 3.960 0.000 0.000 0.279 296 G HA3 -0.282 3.678 3.960 0.000 0.000 0.279 296 G C -0.004 175.151 174.900 0.425 0.000 1.431 296 G CA -0.014 45.285 45.100 0.331 0.000 0.883 296 G HN 0.188 nan 8.290 nan 0.000 0.547 297 D N -0.074 120.474 120.400 0.246 0.000 2.178 297 D HA -0.046 4.595 4.640 0.000 0.000 0.201 297 D C 2.161 178.458 176.300 -0.004 0.000 0.980 297 D CA 1.661 55.715 54.000 0.090 0.000 0.842 297 D CB -0.079 40.776 40.800 0.092 0.000 0.948 297 D HN 0.603 nan 8.370 nan 0.000 0.472 298 E N 0.738 120.959 120.200 0.035 0.000 2.051 298 E HA -0.113 4.237 4.350 0.000 0.000 0.192 298 E C 2.155 178.733 176.600 -0.036 0.000 0.991 298 E CA 1.831 58.223 56.400 -0.013 0.000 0.799 298 E CB -0.804 28.904 29.700 0.013 0.000 0.748 298 E HN 0.209 nan 8.360 nan 0.000 0.449 299 G N 0.298 109.127 108.800 0.047 0.000 2.418 299 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 299 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 299 G C 1.750 176.621 174.900 -0.048 0.000 1.158 299 G CA 1.245 46.387 45.100 0.071 0.000 0.771 299 G HN 0.477 nan 8.290 nan 0.000 0.545 300 A N 0.483 123.150 122.820 -0.255 0.000 1.978 300 A HA -0.066 4.254 4.320 0.000 0.000 0.220 300 A C 2.310 179.627 177.584 -0.446 0.000 1.170 300 A CA 1.955 53.631 52.037 -0.602 0.000 0.636 300 A CB -0.399 17.947 19.000 -1.090 0.000 0.810 300 A HN 0.401 nan 8.150 nan 0.000 0.448 301 R N -0.599 119.688 120.500 -0.355 0.000 2.075 301 R HA 0.085 4.425 4.340 0.000 0.000 0.226 301 R C 1.931 178.023 176.300 -0.347 0.000 1.114 301 R CA 0.978 56.798 56.100 -0.466 0.000 0.972 301 R CB -0.322 29.704 30.300 -0.457 0.000 0.869 301 R HN 0.499 nan 8.270 nan 0.000 0.437 302 L N 0.675 121.771 121.223 -0.213 0.000 2.083 302 L HA -0.200 4.140 4.340 0.000 0.000 0.209 302 L C 2.326 179.111 176.870 -0.142 0.000 1.083 302 L CA 1.152 55.907 54.840 -0.142 0.000 0.752 302 L CB -0.334 41.682 42.059 -0.071 0.000 0.899 302 L HN 0.265 nan 8.230 nan 0.000 0.433 303 L N -1.314 119.816 121.223 -0.156 0.000 2.005 303 L HA -0.249 4.091 4.340 0.000 0.000 0.207 303 L C 2.735 179.466 176.870 -0.231 0.000 1.072 303 L CA 1.250 56.010 54.840 -0.134 0.000 0.744 303 L CB -0.581 41.441 42.059 -0.062 0.000 0.895 303 L HN 0.364 nan 8.230 nan 0.000 0.433 304 C N -0.082 118.961 119.300 -0.428 0.000 2.413 304 C HA -0.161 4.299 4.460 0.000 0.000 0.277 304 C C 2.629 177.476 174.990 -0.237 0.000 1.265 304 C CA 0.745 59.500 59.018 -0.438 0.000 1.752 304 C CB -0.887 26.497 27.740 -0.593 0.000 1.998 304 C HN 0.517 nan 8.230 nan 0.000 0.489 305 E N 0.103 120.173 120.200 -0.217 0.000 2.077 305 E HA -0.172 4.179 4.350 0.000 0.000 0.193 305 E C 2.137 178.685 176.600 -0.086 0.000 0.989 305 E CA 1.702 58.021 56.400 -0.135 0.000 0.800 305 E CB -0.305 29.316 29.700 -0.132 0.000 0.746 305 E HN 0.611 nan 8.360 nan 0.000 0.452 306 T N 1.579 116.081 114.554 -0.085 0.000 2.746 306 T HA -0.083 4.268 4.350 0.000 0.000 0.267 306 T C 1.748 176.432 174.700 -0.027 0.000 1.039 306 T CA 0.771 62.843 62.100 -0.047 0.000 1.142 306 T CB -0.109 68.736 68.868 -0.039 0.000 0.866 306 T HN 0.093 nan 8.240 nan 0.000 0.444 307 L N 0.482 121.681 121.223 -0.040 0.000 2.622 307 L HA 0.180 4.520 4.340 0.000 0.000 0.233 307 L C 1.112 177.996 176.870 0.023 0.000 1.156 307 L CA 0.566 55.408 54.840 0.004 0.000 0.866 307 L CB -0.255 41.797 42.059 -0.012 0.000 0.980 307 L HN 0.225 nan 8.230 nan 0.000 0.448 308 L N -1.123 120.099 121.223 -0.002 0.000 3.168 308 L HA 0.307 4.647 4.340 0.000 0.000 0.277 308 L C 0.184 177.067 176.870 0.021 0.000 1.245 308 L CA 0.020 54.867 54.840 0.012 0.000 1.035 308 L CB 0.497 42.547 42.059 -0.015 0.000 1.399 308 L HN 0.150 nan 8.230 nan 0.000 0.580 309 E N -0.757 119.460 120.200 0.028 0.000 2.378 309 E HA 0.421 4.771 4.350 0.000 0.000 0.265 309 E C -2.081 174.548 176.600 0.050 0.000 0.932 309 E CA -1.836 54.581 56.400 0.028 0.000 0.795 309 E CB 1.524 31.227 29.700 0.005 0.000 1.296 309 E HN -0.168 nan 8.360 nan 0.000 0.438 310 P HA -0.200 nan 4.420 nan 0.000 0.250 310 P C 0.949 178.252 177.300 0.005 0.000 1.363 310 P CA 0.940 64.072 63.100 0.053 0.000 0.832 310 P CB -0.314 31.407 31.700 0.034 0.000 1.074 311 G N -0.718 108.067 108.800 -0.026 0.000 3.268 311 G HA2 -0.445 3.515 3.960 0.000 0.000 0.287 311 G HA3 -0.445 3.515 3.960 0.000 0.000 0.287 311 G C 0.600 175.389 174.900 -0.185 0.000 1.044 311 G CA 1.131 46.180 45.100 -0.086 0.000 0.970 311 G HN 0.927 nan 8.290 nan 0.000 1.131 312 C N 1.363 120.587 119.300 -0.128 0.000 0.865 312 C HA 0.016 4.476 4.460 0.000 0.000 0.524 312 C C 1.538 176.339 174.990 -0.315 0.000 1.281 312 C CA 1.623 60.556 59.018 -0.142 0.000 1.923 312 C CB -1.282 26.422 27.740 -0.059 0.000 3.433 312 C HN 0.662 nan 8.230 nan 0.000 0.576 313 Q N 3.093 122.680 119.800 -0.356 0.000 2.179 313 Q HA 0.194 4.534 4.340 0.000 0.000 0.213 313 Q C 0.422 176.326 176.000 -0.160 0.000 0.833 313 Q CA -0.636 54.831 55.803 -0.559 0.000 0.990 313 Q CB 0.310 28.697 28.738 -0.585 0.000 1.132 313 Q HN 0.840 nan 8.270 nan 0.000 0.493 314 L N 1.737 122.932 121.223 -0.047 0.000 2.628 314 L HA -0.176 4.165 4.340 0.000 0.000 0.292 314 L C 0.857 177.796 176.870 0.115 0.000 1.250 314 L CA 1.460 56.337 54.840 0.061 0.000 0.892 314 L CB 0.550 42.660 42.059 0.086 0.000 1.138 314 L HN 0.186 nan 8.230 nan 0.000 0.502 315 E N 1.125 121.413 120.200 0.147 0.000 2.413 315 E HA 0.117 4.467 4.350 0.000 0.000 0.203 315 E C -0.254 176.438 176.600 0.153 0.000 0.957 315 E CA 0.587 57.085 56.400 0.164 0.000 0.950 315 E CB 0.381 30.180 29.700 0.166 0.000 0.957 315 E HN 0.694 nan 8.360 nan 0.000 0.497 316 S N 0.899 116.709 115.700 0.183 0.000 2.672 316 S HA 0.522 4.992 4.470 0.000 0.000 0.291 316 S C -1.061 173.579 174.600 0.067 0.000 1.145 316 S CA -0.985 57.281 58.200 0.110 0.000 1.013 316 S CB 1.860 65.253 63.200 0.321 0.000 1.017 316 S HN 0.064 nan 8.310 nan 0.000 0.487 317 L N 3.357 124.488 121.223 -0.153 0.000 2.313 317 L HA 0.785 5.125 4.340 0.000 0.000 0.283 317 L C -1.868 174.803 176.870 -0.331 0.000 1.013 317 L CA -0.485 54.322 54.840 -0.055 0.000 0.816 317 L CB 0.672 42.784 42.059 0.088 0.000 1.236 317 L HN 0.861 nan 8.230 nan 0.000 0.419 318 W N 5.975 127.284 121.300 0.015 0.000 2.347 318 W HA 0.516 5.176 4.660 0.000 0.000 0.321 318 W C -0.112 176.352 176.519 -0.092 0.000 0.971 318 W CA -0.847 56.444 57.345 -0.090 0.000 1.508 318 W CB 1.170 30.464 29.460 -0.277 0.000 1.299 318 W HN 0.409 nan 8.180 nan 0.000 0.399 319 V N 0.823 120.783 119.914 0.078 0.000 2.699 319 V HA 0.339 4.459 4.120 0.000 0.000 0.311 319 V C 0.163 176.216 176.094 -0.067 0.000 1.160 319 V CA -1.075 61.258 62.300 0.056 0.000 1.313 319 V CB -0.134 31.850 31.823 0.269 0.000 1.553 319 V HN 0.351 nan 8.190 nan 0.000 0.630 320 K N 0.764 121.124 120.400 -0.068 0.000 2.144 320 K HA 0.488 4.808 4.320 0.000 0.000 0.270 320 K C 0.680 177.195 176.600 -0.142 0.000 1.005 320 K CA 0.442 56.672 56.287 -0.095 0.000 0.932 320 K CB 0.988 33.449 32.500 -0.065 0.000 1.021 320 K HN 0.548 nan 8.250 nan 0.000 0.462 321 S N 1.498 117.108 115.700 -0.150 0.000 3.682 321 S HA -0.157 4.313 4.470 0.000 0.000 0.354 321 S C 0.316 174.782 174.600 -0.224 0.000 1.034 321 S CA 0.582 58.695 58.200 -0.146 0.000 1.084 321 S CB -2.030 61.120 63.200 -0.084 0.000 0.903 321 S HN 0.695 nan 8.310 nan 0.000 0.470 322 C N 0.925 119.962 119.300 -0.438 0.000 2.906 322 C HA 0.400 4.860 4.460 0.000 0.000 0.274 322 C C 1.409 176.048 174.990 -0.585 0.000 1.257 322 C CA 0.223 58.855 59.018 -0.643 0.000 1.695 322 C CB -1.043 25.965 27.740 -1.221 0.000 1.958 322 C HN 0.898 nan 8.230 nan 0.000 0.619 323 S N 0.532 116.024 115.700 -0.345 0.000 3.812 323 S HA -0.143 4.328 4.470 0.000 0.000 0.341 323 S C -0.356 174.294 174.600 0.084 0.000 1.057 323 S CA 0.302 58.441 58.200 -0.101 0.000 1.015 323 S CB -1.494 61.689 63.200 -0.028 0.000 0.893 323 S HN 0.532 nan 8.310 nan 0.000 0.476 324 F N 1.701 121.678 119.950 0.044 0.000 2.378 324 F HA 0.724 5.252 4.527 0.000 0.000 0.325 324 F C 1.294 177.125 175.800 0.051 0.000 1.097 324 F CA -0.737 57.300 58.000 0.063 0.000 1.079 324 F CB 0.941 39.986 39.000 0.075 0.000 1.240 324 F HN 0.259 nan 8.300 nan 0.000 0.519 325 T N -2.226 112.484 114.554 0.259 0.000 2.831 325 T HA 0.660 5.011 4.350 0.000 0.000 0.287 325 T C 0.756 175.531 174.700 0.125 0.000 1.070 325 T CA -0.248 61.943 62.100 0.152 0.000 1.010 325 T CB 1.316 70.251 68.868 0.112 0.000 1.264 325 T HN 0.565 nan 8.240 nan 0.000 0.532 326 A N 0.120 122.991 122.820 0.085 0.000 2.131 326 A HA 0.293 4.613 4.320 0.000 0.000 0.220 326 A C 2.295 179.913 177.584 0.057 0.000 1.158 326 A CA 1.598 53.673 52.037 0.065 0.000 0.665 326 A CB -1.461 17.565 19.000 0.043 0.000 0.795 326 A HN 1.383 nan 8.150 nan 0.000 0.460 327 A N -1.109 121.750 122.820 0.065 0.000 2.264 327 A HA 0.076 4.397 4.320 0.000 0.000 0.207 327 A C 1.696 179.330 177.584 0.084 0.000 1.196 327 A CA 1.242 53.313 52.037 0.057 0.000 0.778 327 A CB -1.272 17.765 19.000 0.062 0.000 0.779 327 A HN 1.326 nan 8.150 nan 0.000 0.483 328 C N -4.870 114.494 119.300 0.107 0.000 3.785 328 C HA 0.269 4.730 4.460 0.000 0.000 0.312 328 C C 1.932 177.033 174.990 0.185 0.000 1.566 328 C CA 0.292 59.424 59.018 0.190 0.000 1.837 328 C CB -1.244 26.551 27.740 0.091 0.000 2.826 328 C HN 0.490 nan 8.230 nan 0.000 0.667 329 C N 2.378 121.745 119.300 0.111 0.000 2.446 329 C HA -0.009 4.451 4.460 0.000 0.000 0.279 329 C C 3.197 178.220 174.990 0.055 0.000 1.366 329 C CA 1.900 60.989 59.018 0.117 0.000 1.763 329 C CB -1.125 26.658 27.740 0.072 0.000 1.929 329 C HN 0.873 nan 8.230 nan 0.000 0.509 330 S N 0.544 116.203 115.700 -0.068 0.000 2.382 330 S HA -0.206 4.264 4.470 0.000 0.000 0.228 330 S C 1.588 176.109 174.600 -0.131 0.000 1.027 330 S CA 1.343 59.463 58.200 -0.133 0.000 0.991 330 S CB -0.725 62.336 63.200 -0.231 0.000 0.823 330 S HN 0.695 nan 8.310 nan 0.000 0.469 331 H N 1.009 120.071 119.070 -0.013 0.000 2.274 331 H HA -0.023 4.533 4.556 0.000 0.000 0.296 331 H C 1.970 177.250 175.328 -0.080 0.000 1.061 331 H CA 1.758 57.755 56.048 -0.085 0.000 1.226 331 H CB -1.136 28.521 29.762 -0.174 0.000 1.370 331 H HN 0.455 nan 8.280 nan 0.000 0.507 332 F N 1.039 121.034 119.950 0.075 0.000 2.115 332 F HA -0.277 4.251 4.527 0.000 0.000 0.300 332 F C 3.091 178.899 175.800 0.013 0.000 1.092 332 F CA 1.668 59.681 58.000 0.022 0.000 1.245 332 F CB -0.599 38.402 39.000 0.002 0.000 0.995 332 F HN 0.102 nan 8.300 nan 0.000 0.481 333 S N -0.842 114.969 115.700 0.184 0.000 2.370 333 S HA -0.203 4.267 4.470 0.000 0.000 0.226 333 S C 2.299 176.933 174.600 0.056 0.000 1.033 333 S CA 1.796 60.051 58.200 0.093 0.000 1.011 333 S CB -0.440 62.786 63.200 0.044 0.000 0.852 333 S HN 0.361 nan 8.310 nan 0.000 0.457 334 S N 0.373 116.096 115.700 0.037 0.000 2.423 334 S HA -0.008 4.462 4.470 0.000 0.000 0.231 334 S C 1.804 176.416 174.600 0.021 0.000 1.014 334 S CA 1.020 59.231 58.200 0.017 0.000 0.965 334 S CB -0.233 62.974 63.200 0.011 0.000 0.785 334 S HN 0.410 nan 8.310 nan 0.000 0.495 335 V N 2.083 122.014 119.914 0.029 0.000 2.379 335 V HA -0.079 4.042 4.120 0.000 0.000 0.245 335 V C 2.111 178.238 176.094 0.054 0.000 1.044 335 V CA 1.298 63.616 62.300 0.030 0.000 1.036 335 V CB -0.630 31.203 31.823 0.017 0.000 0.664 335 V HN 0.439 nan 8.190 nan 0.000 0.453 336 L N 0.184 121.452 121.223 0.076 0.000 2.083 336 L HA -0.145 4.195 4.340 0.000 0.000 0.209 336 L C 2.545 179.429 176.870 0.024 0.000 1.083 336 L CA 1.640 56.514 54.840 0.057 0.000 0.752 336 L CB -0.678 41.416 42.059 0.058 0.000 0.899 336 L HN 0.378 nan 8.230 nan 0.000 0.433 337 A N -1.129 121.702 122.820 0.018 0.000 2.123 337 A HA -0.071 4.249 4.320 0.000 0.000 0.214 337 A C 2.036 179.618 177.584 -0.003 0.000 1.152 337 A CA 0.742 52.780 52.037 0.002 0.000 0.728 337 A CB 0.003 19.003 19.000 -0.001 0.000 0.814 337 A HN 0.485 nan 8.150 nan 0.000 0.464 338 Q N -1.113 118.688 119.800 0.002 0.000 2.322 338 Q HA 0.119 4.459 4.340 0.000 0.000 0.250 338 Q C 0.272 176.268 176.000 -0.007 0.000 0.853 338 Q CA -0.358 55.442 55.803 -0.004 0.000 0.951 338 Q CB 0.377 29.116 28.738 0.001 0.000 1.114 338 Q HN 0.529 nan 8.270 nan 0.000 0.523 339 N N 1.182 119.888 118.700 0.009 0.000 2.488 339 N HA 0.062 4.802 4.740 0.000 0.000 0.274 339 N C -0.021 175.469 175.510 -0.034 0.000 1.111 339 N CA 0.207 53.270 53.050 0.021 0.000 0.974 339 N CB 0.726 39.258 38.487 0.073 0.000 1.089 339 N HN 0.018 nan 8.380 nan 0.000 0.465 340 R N 3.261 123.673 120.500 -0.148 0.000 2.546 340 R HA 0.161 4.501 4.340 0.000 0.000 0.320 340 R C 0.001 176.062 176.300 -0.398 0.000 1.021 340 R CA -0.085 55.842 56.100 -0.288 0.000 1.088 340 R CB -0.143 29.921 30.300 -0.394 0.000 1.278 340 R HN 0.535 nan 8.270 nan 0.000 0.557 341 F N -0.475 119.493 119.950 0.031 0.000 2.577 341 F HA 0.193 4.720 4.527 0.000 0.000 0.276 341 F C 0.872 176.700 175.800 0.046 0.000 1.032 341 F CA -0.561 57.462 58.000 0.038 0.000 1.297 341 F CB -0.088 38.936 39.000 0.040 0.000 1.061 341 F HN -0.142 nan 8.300 nan 0.000 0.680 342 L N 1.682 123.046 121.223 0.236 0.000 2.534 342 L HA 0.059 4.399 4.340 0.000 0.000 0.271 342 L C 0.319 177.252 176.870 0.105 0.000 1.178 342 L CA 0.646 55.581 54.840 0.157 0.000 0.907 342 L CB 0.209 42.351 42.059 0.138 0.000 1.164 342 L HN 0.204 nan 8.230 nan 0.000 0.482 343 L N 3.292 124.572 121.223 0.096 0.000 2.642 343 L HA 0.372 4.712 4.340 0.000 0.000 0.233 343 L C 0.250 177.141 176.870 0.035 0.000 1.077 343 L CA -0.008 54.872 54.840 0.066 0.000 0.879 343 L CB 0.280 42.389 42.059 0.083 0.000 1.151 343 L HN 0.635 nan 8.230 nan 0.000 0.495 344 E N 1.317 121.530 120.200 0.021 0.000 2.343 344 E HA 0.319 4.669 4.350 0.000 0.000 0.260 344 E C -1.612 174.908 176.600 -0.134 0.000 0.908 344 E CA -0.480 55.897 56.400 -0.037 0.000 0.814 344 E CB 1.923 31.626 29.700 0.005 0.000 1.302 344 E HN -0.083 nan 8.360 nan 0.000 0.408 345 L N 4.048 125.218 121.223 -0.087 0.000 2.287 345 L HA 0.375 4.715 4.340 0.000 0.000 0.287 345 L C -0.957 175.890 176.870 -0.039 0.000 1.022 345 L CA -0.090 54.690 54.840 -0.101 0.000 0.814 345 L CB 1.512 43.544 42.059 -0.045 0.000 1.217 345 L HN 0.566 nan 8.230 nan 0.000 0.420 346 Q N 5.854 125.548 119.800 -0.177 0.000 2.400 346 Q HA 0.335 4.676 4.340 0.000 0.000 0.255 346 Q C -0.607 175.365 176.000 -0.046 0.000 1.008 346 Q CA -0.068 55.690 55.803 -0.075 0.000 0.841 346 Q CB 0.972 29.517 28.738 -0.322 0.000 1.220 346 Q HN 0.908 nan 8.270 nan 0.000 0.474 347 I N 2.602 123.172 120.570 0.000 0.000 3.621 347 I HA 0.185 4.355 4.170 0.000 0.000 0.325 347 I C -0.631 175.489 176.117 0.005 0.000 1.554 347 I CA -0.077 61.202 61.300 -0.034 0.000 1.053 347 I CB 0.760 38.668 38.000 -0.152 0.000 1.302 347 I HN 0.417 nan 8.210 nan 0.000 0.518 348 S N 1.113 116.836 115.700 0.037 0.000 2.576 348 S HA 0.103 4.574 4.470 0.000 0.000 0.272 348 S C 0.461 175.062 174.600 0.003 0.000 1.352 348 S CA 0.142 58.372 58.200 0.050 0.000 1.021 348 S CB 0.332 63.578 63.200 0.078 0.000 0.887 348 S HN 0.638 nan 8.310 nan 0.000 0.542 349 N N 1.570 120.277 118.700 0.013 0.000 2.727 349 N HA -0.157 4.583 4.740 0.000 0.000 0.251 349 N C -1.438 174.055 175.510 -0.028 0.000 1.040 349 N CA 0.575 53.621 53.050 -0.007 0.000 0.712 349 N CB -1.353 37.121 38.487 -0.023 0.000 0.912 349 N HN 0.483 nan 8.380 nan 0.000 0.545 350 N N 0.220 118.918 118.700 -0.002 0.000 2.371 350 N HA 0.189 4.929 4.740 0.000 0.000 0.291 350 N C -0.442 175.098 175.510 0.051 0.000 1.053 350 N CA -0.660 52.398 53.050 0.012 0.000 0.870 350 N CB 1.300 39.813 38.487 0.044 0.000 1.503 350 N HN 0.126 nan 8.380 nan 0.000 0.485 351 R N 2.253 122.787 120.500 0.056 0.000 3.416 351 R HA 0.039 4.379 4.340 0.000 0.000 0.188 351 R C 1.121 177.463 176.300 0.071 0.000 1.727 351 R CA 0.271 56.406 56.100 0.057 0.000 1.165 351 R CB -0.440 29.893 30.300 0.055 0.000 1.277 351 R HN 0.481 nan 8.270 nan 0.000 0.679 352 L N 0.535 121.796 121.223 0.064 0.000 2.307 352 L HA -0.001 4.339 4.340 0.000 0.000 0.211 352 L C 0.375 177.272 176.870 0.046 0.000 1.099 352 L CA 0.207 55.084 54.840 0.061 0.000 0.816 352 L CB -0.307 41.782 42.059 0.050 0.000 0.952 352 L HN 0.442 nan 8.230 nan 0.000 0.455 353 E N 0.120 120.344 120.200 0.040 0.000 9.212 353 E HA -0.238 4.112 4.350 0.000 0.000 0.454 353 E C 0.087 176.703 176.600 0.027 0.000 1.405 353 E CA 0.881 57.301 56.400 0.033 0.000 2.440 353 E CB -0.564 29.155 29.700 0.032 0.000 1.035 353 E HN 0.169 nan 8.360 nan 0.000 0.400 354 D N 0.166 120.580 120.400 0.023 0.000 2.123 354 D HA -0.133 4.507 4.640 0.000 0.000 0.196 354 D C 1.732 178.041 176.300 0.014 0.000 0.992 354 D CA 2.077 56.087 54.000 0.018 0.000 0.833 354 D CB -0.179 40.631 40.800 0.016 0.000 0.954 354 D HN 0.520 nan 8.370 nan 0.000 0.455 355 A N 1.066 123.895 122.820 0.015 0.000 1.883 355 A HA -0.083 4.237 4.320 0.000 0.000 0.217 355 A C 2.418 180.010 177.584 0.013 0.000 1.186 355 A CA 2.247 54.291 52.037 0.012 0.000 0.624 355 A CB -1.115 17.893 19.000 0.013 0.000 0.822 355 A HN 0.313 nan 8.150 nan 0.000 0.444 356 G N -0.663 108.150 108.800 0.021 0.000 2.421 356 G HA2 -0.117 3.844 3.960 0.000 0.000 0.216 356 G HA3 -0.117 3.844 3.960 0.000 0.000 0.216 356 G C 1.492 176.404 174.900 0.020 0.000 1.171 356 G CA 1.222 46.337 45.100 0.026 0.000 0.775 356 G HN 0.335 nan 8.290 nan 0.000 0.543 357 V N 0.720 120.644 119.914 0.017 0.000 2.490 357 V HA -0.168 3.953 4.120 0.000 0.000 0.250 357 V C 2.926 179.022 176.094 0.003 0.000 1.061 357 V CA 1.835 64.140 62.300 0.009 0.000 1.064 357 V CB -0.446 31.383 31.823 0.010 0.000 0.670 357 V HN 0.334 nan 8.190 nan 0.000 0.461 358 R N -0.128 120.374 120.500 0.003 0.000 2.075 358 R HA -0.142 4.198 4.340 0.000 0.000 0.232 358 R C 2.307 178.605 176.300 -0.003 0.000 1.126 358 R CA 1.573 57.671 56.100 -0.003 0.000 0.963 358 R CB -0.316 29.982 30.300 -0.003 0.000 0.858 358 R HN 0.633 nan 8.270 nan 0.000 0.435 359 E N 1.063 121.263 120.200 0.001 0.000 2.023 359 E HA -0.217 4.134 4.350 0.000 0.000 0.196 359 E C 2.188 178.792 176.600 0.007 0.000 1.003 359 E CA 1.295 57.695 56.400 0.000 0.000 0.809 359 E CB -0.314 29.387 29.700 0.002 0.000 0.755 359 E HN 0.250 nan 8.360 nan 0.000 0.449 360 L N 0.732 121.966 121.223 0.018 0.000 2.034 360 L HA -0.317 4.023 4.340 0.000 0.000 0.217 360 L C 2.787 179.660 176.870 0.005 0.000 1.077 360 L CA 1.232 56.086 54.840 0.023 0.000 0.769 360 L CB -0.752 41.316 42.059 0.014 0.000 0.890 360 L HN 0.354 nan 8.230 nan 0.000 0.435 361 C N -0.671 118.625 119.300 -0.006 0.000 2.425 361 C HA -0.177 4.283 4.460 0.000 0.000 0.277 361 C C 2.831 177.809 174.990 -0.020 0.000 1.280 361 C CA 0.686 59.693 59.018 -0.018 0.000 1.744 361 C CB -0.897 26.829 27.740 -0.022 0.000 1.989 361 C HN 0.545 nan 8.230 nan 0.000 0.491 362 Q N 0.268 120.060 119.800 -0.014 0.000 2.084 362 Q HA -0.091 4.250 4.340 0.000 0.000 0.202 362 Q C 2.488 178.479 176.000 -0.014 0.000 0.978 362 Q CA 1.843 57.636 55.803 -0.016 0.000 0.844 362 Q CB -0.424 28.306 28.738 -0.014 0.000 0.898 362 Q HN 0.799 nan 8.270 nan 0.000 0.426 363 G N 0.734 109.531 108.800 -0.004 0.000 2.394 363 G HA2 -0.219 3.741 3.960 0.000 0.000 0.214 363 G HA3 -0.219 3.741 3.960 0.000 0.000 0.214 363 G C 1.343 176.241 174.900 -0.004 0.000 1.176 363 G CA 0.406 45.508 45.100 0.002 0.000 0.786 363 G HN 0.212 nan 8.290 nan 0.000 0.533 364 L N 1.681 122.899 121.223 -0.007 0.000 2.056 364 L HA 0.174 4.514 4.340 0.000 0.000 0.207 364 L C 2.760 179.608 176.870 -0.038 0.000 1.078 364 L CA 2.153 56.982 54.840 -0.019 0.000 0.749 364 L CB -1.006 41.038 42.059 -0.025 0.000 0.901 364 L HN 0.172 nan 8.230 nan 0.000 0.433 365 G N -0.905 107.868 108.800 -0.044 0.000 2.498 365 G HA2 -0.161 3.799 3.960 0.000 0.000 0.219 365 G HA3 -0.161 3.799 3.960 0.000 0.000 0.219 365 G C 0.769 175.637 174.900 -0.054 0.000 1.119 365 G CA -0.044 45.019 45.100 -0.060 0.000 0.766 365 G HN 0.411 nan 8.290 nan 0.000 0.552 366 Q N 0.977 120.755 119.800 -0.036 0.000 2.395 366 Q HA 0.139 4.479 4.340 0.000 0.000 0.271 366 Q C -2.114 173.868 176.000 -0.030 0.000 1.026 366 Q CA -1.494 54.291 55.803 -0.029 0.000 0.900 366 Q CB 0.522 29.248 28.738 -0.020 0.000 1.266 366 Q HN 0.221 nan 8.270 nan 0.000 0.430 367 P HA 0.049 nan 4.420 nan 0.000 0.271 367 P C 0.185 177.477 177.300 -0.014 0.000 1.216 367 P CA 0.380 63.471 63.100 -0.016 0.000 0.776 367 P CB 0.527 32.221 31.700 -0.010 0.000 0.881 368 G N 1.370 110.164 108.800 -0.009 0.000 2.142 368 G HA2 -0.181 3.780 3.960 0.000 0.000 0.225 368 G HA3 -0.181 3.780 3.960 0.000 0.000 0.225 368 G C 0.139 175.028 174.900 -0.019 0.000 1.015 368 G CA 0.107 45.199 45.100 -0.014 0.000 0.716 368 G HN 0.881 nan 8.290 nan 0.000 0.508 369 S N -1.149 114.541 115.700 -0.016 0.000 2.586 369 S HA 0.691 5.161 4.470 0.000 0.000 0.274 369 S C 1.292 175.885 174.600 -0.012 0.000 1.281 369 S CA 0.227 58.417 58.200 -0.016 0.000 1.035 369 S CB 2.159 65.346 63.200 -0.021 0.000 0.962 369 S HN 1.609 nan 8.310 nan 0.000 0.512 370 V N 0.126 120.033 119.914 -0.011 0.000 3.548 370 V HA 0.422 4.542 4.120 0.000 0.000 0.279 370 V C 0.405 176.501 176.094 0.004 0.000 1.446 370 V CA -0.383 61.913 62.300 -0.007 0.000 1.023 370 V CB -0.710 31.102 31.823 -0.020 0.000 0.820 370 V HN 0.720 nan 8.190 nan 0.000 0.438 371 L N 1.978 123.203 121.223 0.003 0.000 2.559 371 L HA 0.201 4.542 4.340 0.000 0.000 0.282 371 L C 1.529 178.391 176.870 -0.013 0.000 1.232 371 L CA 1.129 55.970 54.840 0.001 0.000 0.885 371 L CB 0.371 42.426 42.059 -0.006 0.000 1.131 371 L HN 0.237 nan 8.230 nan 0.000 0.498 372 R N 2.406 122.898 120.500 -0.014 0.000 2.250 372 R HA 0.316 4.656 4.340 0.000 0.000 0.194 372 R C -0.820 175.439 176.300 -0.070 0.000 0.927 372 R CA 0.029 56.114 56.100 -0.025 0.000 1.052 372 R CB 0.713 31.015 30.300 0.003 0.000 1.055 372 R HN 0.453 nan 8.270 nan 0.000 0.537 373 V N 1.647 121.504 119.914 -0.095 0.000 2.760 373 V HA 0.397 4.518 4.120 0.000 0.000 0.309 373 V C -1.441 174.496 176.094 -0.262 0.000 1.077 373 V CA -0.984 61.189 62.300 -0.213 0.000 0.910 373 V CB 2.307 34.030 31.823 -0.166 0.000 1.008 373 V HN -0.040 nan 8.190 nan 0.000 0.424 374 L N 4.227 125.201 121.223 -0.415 0.000 2.436 374 L HA 0.762 5.102 4.340 0.000 0.000 0.268 374 L C -2.079 174.542 176.870 -0.415 0.000 0.974 374 L CA -0.227 54.432 54.840 -0.302 0.000 0.826 374 L CB 1.969 43.927 42.059 -0.168 0.000 1.291 374 L HN 0.683 nan 8.230 nan 0.000 0.406 375 W N 6.644 127.899 121.300 -0.074 0.000 2.411 375 W HA 0.661 5.321 4.660 0.000 0.000 0.317 375 W C -0.550 175.944 176.519 -0.042 0.000 1.030 375 W CA -0.381 56.941 57.345 -0.038 0.000 1.239 375 W CB 1.289 30.731 29.460 -0.029 0.000 1.304 375 W HN 0.272 nan 8.180 nan 0.000 0.437 376 L N 3.972 125.295 121.223 0.167 0.000 3.059 376 L HA 0.489 4.829 4.340 0.000 0.000 0.298 376 L C 0.515 177.452 176.870 0.111 0.000 1.304 376 L CA -0.496 54.402 54.840 0.096 0.000 0.855 376 L CB -0.100 41.985 42.059 0.042 0.000 1.266 376 L HN 0.511 nan 8.230 nan 0.000 0.572 377 A N -0.261 122.652 122.820 0.155 0.000 2.328 377 A HA 0.414 4.734 4.320 0.000 0.000 0.284 377 A C 0.489 178.127 177.584 0.090 0.000 1.160 377 A CA -0.027 52.095 52.037 0.141 0.000 0.818 377 A CB 0.414 19.529 19.000 0.191 0.000 1.087 377 A HN 0.540 nan 8.150 nan 0.000 0.504 378 D N 0.348 120.793 120.400 0.076 0.000 2.705 378 D HA -0.190 4.451 4.640 0.000 0.000 0.240 378 D C 0.349 176.674 176.300 0.041 0.000 1.137 378 D CA 1.424 55.456 54.000 0.052 0.000 0.677 378 D CB -1.442 39.381 40.800 0.040 0.000 1.049 378 D HN 1.137 nan 8.370 nan 0.000 0.427 379 C N -0.065 119.262 119.300 0.045 0.000 2.969 379 C HA 0.504 4.964 4.460 0.000 0.000 0.260 379 C C -0.038 174.976 174.990 0.040 0.000 1.618 379 C CA -0.152 58.890 59.018 0.040 0.000 1.774 379 C CB -0.274 27.491 27.740 0.042 0.000 3.063 379 C HN 0.350 nan 8.230 nan 0.000 0.506 380 D N 0.944 121.367 120.400 0.039 0.000 2.848 380 D HA -0.105 4.535 4.640 0.000 0.000 0.245 380 D C -0.256 176.067 176.300 0.037 0.000 1.122 380 D CA 0.953 54.975 54.000 0.037 0.000 0.769 380 D CB -1.268 39.552 40.800 0.034 0.000 1.025 380 D HN 0.521 nan 8.370 nan 0.000 0.423 381 V N 0.478 120.417 119.914 0.042 0.000 2.435 381 V HA 0.751 4.872 4.120 0.000 0.000 0.290 381 V C 0.751 176.870 176.094 0.042 0.000 1.030 381 V CA -0.020 62.303 62.300 0.039 0.000 0.881 381 V CB 2.026 33.874 31.823 0.042 0.000 0.983 381 V HN 0.493 nan 8.190 nan 0.000 0.445 382 S N 1.772 117.493 115.700 0.034 0.000 2.851 382 S HA 0.407 4.877 4.470 0.000 0.000 0.313 382 S C 0.471 175.087 174.600 0.027 0.000 1.163 382 S CA -0.624 57.597 58.200 0.036 0.000 0.850 382 S CB 1.580 64.800 63.200 0.033 0.000 1.245 382 S HN 0.534 nan 8.310 nan 0.000 0.558 383 D N 1.539 121.954 120.400 0.025 0.000 2.158 383 D HA -0.069 4.571 4.640 0.000 0.000 0.197 383 D C 1.340 177.645 176.300 0.009 0.000 0.995 383 D CA 1.533 55.543 54.000 0.016 0.000 0.846 383 D CB -0.538 40.271 40.800 0.014 0.000 0.941 383 D HN 0.489 nan 8.370 nan 0.000 0.456 384 S N -0.186 115.520 115.700 0.010 0.000 2.805 384 S HA -0.037 4.433 4.470 0.000 0.000 0.230 384 S C 1.752 176.354 174.600 0.004 0.000 0.968 384 S CA 0.572 58.776 58.200 0.006 0.000 0.976 384 S CB -0.088 63.117 63.200 0.008 0.000 0.787 384 S HN 0.358 nan 8.310 nan 0.000 0.533 385 S N -1.461 114.242 115.700 0.004 0.000 2.741 385 S HA 0.059 4.530 4.470 0.000 0.000 0.245 385 S C 1.815 176.412 174.600 -0.006 0.000 1.083 385 S CA 0.106 58.307 58.200 0.001 0.000 0.873 385 S CB -0.583 62.621 63.200 0.007 0.000 0.814 385 S HN 0.510 nan 8.310 nan 0.000 0.476 386 C N 3.516 122.813 119.300 -0.006 0.000 2.401 386 C HA -0.082 4.378 4.460 0.000 0.000 0.276 386 C C 3.363 178.341 174.990 -0.021 0.000 1.233 386 C CA 1.554 60.563 59.018 -0.014 0.000 1.753 386 C CB -1.567 26.164 27.740 -0.015 0.000 2.029 386 C HN 0.837 nan 8.230 nan 0.000 0.478 387 S N 0.936 116.625 115.700 -0.018 0.000 2.370 387 S HA -0.185 4.285 4.470 0.000 0.000 0.226 387 S C 1.738 176.324 174.600 -0.023 0.000 1.033 387 S CA 2.030 60.218 58.200 -0.021 0.000 1.011 387 S CB -0.658 62.532 63.200 -0.016 0.000 0.852 387 S HN 0.619 nan 8.310 nan 0.000 0.457 388 S N 2.005 117.693 115.700 -0.020 0.000 2.371 388 S HA 0.206 4.676 4.470 0.000 0.000 0.224 388 S C 1.774 176.357 174.600 -0.028 0.000 1.029 388 S CA 0.970 59.157 58.200 -0.022 0.000 0.978 388 S CB -0.538 62.653 63.200 -0.016 0.000 0.833 388 S HN 0.413 nan 8.310 nan 0.000 0.466 389 L N 1.007 122.215 121.223 -0.026 0.000 2.265 389 L HA -0.100 4.240 4.340 0.000 0.000 0.215 389 L C 2.499 179.345 176.870 -0.040 0.000 1.117 389 L CA 0.871 55.692 54.840 -0.032 0.000 0.782 389 L CB -0.467 41.575 42.059 -0.028 0.000 0.914 389 L HN 0.317 nan 8.230 nan 0.000 0.441 390 A N -0.252 122.545 122.820 -0.038 0.000 1.874 390 A HA 0.001 4.321 4.320 0.000 0.000 0.214 390 A C 2.521 180.077 177.584 -0.046 0.000 1.189 390 A CA 1.121 53.132 52.037 -0.042 0.000 0.615 390 A CB -0.581 18.397 19.000 -0.038 0.000 0.830 390 A HN 0.326 nan 8.150 nan 0.000 0.443 391 A N -0.510 122.284 122.820 -0.043 0.000 2.024 391 A HA -0.083 4.238 4.320 0.000 0.000 0.220 391 A C 2.210 179.755 177.584 -0.064 0.000 1.164 391 A CA 2.313 54.322 52.037 -0.048 0.000 0.643 391 A CB -1.053 17.923 19.000 -0.039 0.000 0.806 391 A HN 0.461 nan 8.150 nan 0.000 0.451 392 T N 0.201 114.718 114.554 -0.062 0.000 2.809 392 T HA 0.014 4.365 4.350 0.000 0.000 0.260 392 T C 1.665 176.307 174.700 -0.097 0.000 1.039 392 T CA 1.128 63.182 62.100 -0.076 0.000 1.141 392 T CB -0.377 68.455 68.868 -0.061 0.000 0.869 392 T HN 0.346 nan 8.240 nan 0.000 0.437 393 L N 0.438 121.614 121.223 -0.077 0.000 2.551 393 L HA 0.013 4.354 4.340 0.000 0.000 0.230 393 L C 1.898 178.720 176.870 -0.080 0.000 1.163 393 L CA 0.847 55.644 54.840 -0.071 0.000 0.826 393 L CB -0.431 41.596 42.059 -0.053 0.000 0.943 393 L HN 0.279 nan 8.230 nan 0.000 0.452 394 L N -2.222 118.934 121.223 -0.112 0.000 2.600 394 L HA 0.203 4.543 4.340 0.000 0.000 0.213 394 L C 2.473 179.153 176.870 -0.316 0.000 1.045 394 L CA 0.524 55.290 54.840 -0.124 0.000 0.863 394 L CB -0.330 41.700 42.059 -0.050 0.000 1.189 394 L HN 0.037 nan 8.230 nan 0.000 0.484 395 A N -0.146 122.525 122.820 -0.248 0.000 2.119 395 A HA -0.050 4.270 4.320 0.000 0.000 0.216 395 A C 0.986 178.354 177.584 -0.360 0.000 1.152 395 A CA 0.499 52.380 52.037 -0.260 0.000 0.708 395 A CB -0.430 18.490 19.000 -0.134 0.000 0.805 395 A HN 0.415 nan 8.150 nan 0.000 0.460 396 N N -0.645 117.840 118.700 -0.358 0.000 2.443 396 N HA 0.258 4.999 4.740 0.000 0.000 0.295 396 N C -0.827 174.467 175.510 -0.361 0.000 1.076 396 N CA -0.247 52.643 53.050 -0.267 0.000 0.919 396 N CB 0.689 39.095 38.487 -0.136 0.000 1.176 396 N HN 0.375 nan 8.380 nan 0.000 0.487 397 H N 0.150 119.205 119.070 -0.025 0.000 2.750 397 H HA 0.141 4.697 4.556 0.000 0.000 0.252 397 H C 0.562 175.876 175.328 -0.024 0.000 1.176 397 H CA -0.187 55.846 56.048 -0.025 0.000 0.987 397 H CB 0.736 30.485 29.762 -0.021 0.000 1.810 397 H HN 0.668 nan 8.280 nan 0.000 0.630 398 S N -0.447 115.293 115.700 0.066 0.000 2.613 398 S HA 0.065 4.535 4.470 0.000 0.000 0.235 398 S C 0.547 175.150 174.600 0.005 0.000 1.073 398 S CA -0.441 57.778 58.200 0.032 0.000 0.899 398 S CB 0.190 63.399 63.200 0.016 0.000 0.818 398 S HN 0.104 nan 8.310 nan 0.000 0.484 399 L N 3.309 124.524 121.223 -0.013 0.000 2.540 399 L HA 0.278 4.618 4.340 0.000 0.000 0.276 399 L C 1.171 178.018 176.870 -0.040 0.000 1.212 399 L CA 0.325 55.141 54.840 -0.042 0.000 0.893 399 L CB 0.371 42.393 42.059 -0.061 0.000 1.138 399 L HN 0.158 nan 8.230 nan 0.000 0.491 400 R N 2.667 123.133 120.500 -0.056 0.000 2.394 400 R HA 0.253 4.594 4.340 0.000 0.000 0.220 400 R C -0.299 175.950 176.300 -0.085 0.000 0.887 400 R CA 0.099 56.169 56.100 -0.051 0.000 1.034 400 R CB 0.375 30.657 30.300 -0.029 0.000 1.179 400 R HN 0.733 nan 8.270 nan 0.000 0.561 401 E N 0.840 120.956 120.200 -0.140 0.000 2.278 401 E HA 0.348 4.698 4.350 0.000 0.000 0.272 401 E C -1.818 174.599 176.600 -0.305 0.000 0.890 401 E CA -0.669 55.601 56.400 -0.217 0.000 0.770 401 E CB 1.519 31.062 29.700 -0.262 0.000 1.212 401 E HN -0.104 nan 8.360 nan 0.000 0.415 402 L N 4.142 125.201 121.223 -0.273 0.000 2.404 402 L HA 0.505 4.845 4.340 0.000 0.000 0.272 402 L C -1.720 175.008 176.870 -0.236 0.000 0.980 402 L CA -0.409 54.277 54.840 -0.257 0.000 0.836 402 L CB 1.805 43.774 42.059 -0.150 0.000 1.238 402 L HN 0.549 nan 8.230 nan 0.000 0.408 403 D N 4.711 124.949 120.400 -0.269 0.000 2.349 403 D HA 0.386 5.026 4.640 0.000 0.000 0.232 403 D C -0.351 175.973 176.300 0.040 0.000 1.071 403 D CA 0.008 53.957 54.000 -0.083 0.000 0.832 403 D CB 0.960 41.772 40.800 0.020 0.000 1.086 403 D HN 0.654 nan 8.370 nan 0.000 0.504 404 L N 2.643 123.903 121.223 0.061 0.000 3.218 404 L HA 0.266 4.607 4.340 0.000 0.000 0.279 404 L C 0.345 177.288 176.870 0.122 0.000 1.287 404 L CA -0.404 54.484 54.840 0.080 0.000 1.024 404 L CB 0.420 42.510 42.059 0.050 0.000 1.409 404 L HN 0.242 nan 8.230 nan 0.000 0.580 405 S N 0.477 116.276 115.700 0.166 0.000 2.566 405 S HA -0.044 4.426 4.470 0.000 0.000 0.280 405 S C 0.880 175.575 174.600 0.158 0.000 1.343 405 S CA 0.083 58.403 58.200 0.200 0.000 1.036 405 S CB 0.273 63.653 63.200 0.301 0.000 0.866 405 S HN 0.623 nan 8.310 nan 0.000 0.526 406 N N 1.942 120.729 118.700 0.146 0.000 2.686 406 N HA -0.196 4.544 4.740 0.000 0.000 0.261 406 N C -1.374 174.188 175.510 0.087 0.000 1.001 406 N CA 0.567 53.678 53.050 0.102 0.000 0.764 406 N CB -1.266 37.270 38.487 0.081 0.000 0.898 406 N HN 0.554 nan 8.380 nan 0.000 0.544 407 N N -0.309 118.447 118.700 0.094 0.000 2.229 407 N HA 0.301 5.042 4.740 0.000 0.000 0.298 407 N C -0.474 175.087 175.510 0.085 0.000 1.114 407 N CA -0.534 52.564 53.050 0.081 0.000 0.776 407 N CB 1.207 39.742 38.487 0.079 0.000 1.501 407 N HN 0.178 nan 8.380 nan 0.000 0.474 408 C N 1.924 121.267 119.300 0.072 0.000 3.479 408 C HA 0.199 4.659 4.460 0.000 0.000 0.546 408 C C 1.106 176.143 174.990 0.078 0.000 1.207 408 C CA -0.536 58.527 59.018 0.074 0.000 1.334 408 C CB -2.577 25.198 27.740 0.059 0.000 1.611 408 C HN 0.301 nan 8.230 nan 0.000 0.640 409 L N 1.197 122.477 121.223 0.095 0.000 2.395 409 L HA 0.527 4.868 4.340 0.000 0.000 0.269 409 L C 1.013 177.943 176.870 0.101 0.000 1.133 409 L CA 0.224 55.117 54.840 0.090 0.000 0.812 409 L CB 0.443 42.562 42.059 0.100 0.000 1.125 409 L HN 0.482 nan 8.230 nan 0.000 0.452 410 G N 0.245 109.086 108.800 0.069 0.000 2.441 410 G HA2 0.272 4.233 3.960 0.000 0.000 0.334 410 G HA3 0.272 4.233 3.960 0.000 0.000 0.334 410 G C -0.032 174.892 174.900 0.039 0.000 1.161 410 G CA -0.414 44.721 45.100 0.059 0.000 0.935 410 G HN 0.701 nan 8.290 nan 0.000 0.488 411 D N 0.643 121.060 120.400 0.027 0.000 2.271 411 D HA -0.111 4.529 4.640 0.000 0.000 0.207 411 D C 2.461 178.733 176.300 -0.046 0.000 0.983 411 D CA 1.521 55.506 54.000 -0.025 0.000 0.878 411 D CB 0.096 40.877 40.800 -0.032 0.000 0.920 411 D HN 0.415 nan 8.370 nan 0.000 0.479 412 A N 0.631 123.438 122.820 -0.022 0.000 1.841 412 A HA 0.029 4.349 4.320 0.000 0.000 0.214 412 A C 2.434 180.001 177.584 -0.029 0.000 1.195 412 A CA 1.888 53.910 52.037 -0.025 0.000 0.611 412 A CB -1.236 17.757 19.000 -0.010 0.000 0.835 412 A HN 0.305 nan 8.150 nan 0.000 0.443 413 G N -0.252 108.539 108.800 -0.015 0.000 2.422 413 G HA2 -0.180 3.781 3.960 0.000 0.000 0.218 413 G HA3 -0.180 3.781 3.960 0.000 0.000 0.218 413 G C 1.514 176.393 174.900 -0.034 0.000 1.146 413 G CA 1.069 46.159 45.100 -0.016 0.000 0.769 413 G HN 0.459 nan 8.290 nan 0.000 0.547 414 I N 0.088 120.631 120.570 -0.045 0.000 2.361 414 I HA -0.130 4.040 4.170 0.000 0.000 0.251 414 I C 2.526 178.571 176.117 -0.120 0.000 1.133 414 I CA 0.441 61.686 61.300 -0.092 0.000 1.413 414 I CB -0.076 37.837 38.000 -0.146 0.000 1.073 414 I HN 0.176 nan 8.210 nan 0.000 0.424 415 L N 0.568 121.728 121.223 -0.104 0.000 2.131 415 L HA -0.231 4.109 4.340 0.000 0.000 0.210 415 L C 2.418 179.242 176.870 -0.077 0.000 1.092 415 L CA 1.797 56.577 54.840 -0.100 0.000 0.759 415 L CB -0.578 41.433 42.059 -0.080 0.000 0.903 415 L HN 0.243 nan 8.230 nan 0.000 0.435 416 Q N -0.707 119.056 119.800 -0.061 0.000 2.050 416 Q HA -0.185 4.156 4.340 0.000 0.000 0.202 416 Q C 2.248 178.215 176.000 -0.055 0.000 0.980 416 Q CA 1.959 57.733 55.803 -0.049 0.000 0.840 416 Q CB -0.335 28.380 28.738 -0.037 0.000 0.898 416 Q HN 0.533 nan 8.270 nan 0.000 0.424 417 L N 0.057 121.244 121.223 -0.062 0.000 2.079 417 L HA -0.190 4.151 4.340 0.000 0.000 0.210 417 L C 2.407 179.233 176.870 -0.074 0.000 1.081 417 L CA 0.734 55.535 54.840 -0.064 0.000 0.752 417 L CB -0.701 41.317 42.059 -0.068 0.000 0.896 417 L HN 0.094 nan 8.230 nan 0.000 0.433 418 V N 0.053 119.911 119.914 -0.092 0.000 2.287 418 V HA -0.289 3.832 4.120 0.000 0.000 0.248 418 V C 2.449 178.500 176.094 -0.072 0.000 1.053 418 V CA 1.877 64.120 62.300 -0.097 0.000 1.027 418 V CB -0.486 31.264 31.823 -0.122 0.000 0.646 418 V HN 0.464 nan 8.190 nan 0.000 0.447 419 E N -0.265 119.897 120.200 -0.063 0.000 2.171 419 E HA -0.209 4.142 4.350 0.000 0.000 0.197 419 E C 2.389 178.965 176.600 -0.040 0.000 0.997 419 E CA 1.620 57.991 56.400 -0.048 0.000 0.810 419 E CB -0.143 29.532 29.700 -0.042 0.000 0.738 419 E HN 0.539 nan 8.360 nan 0.000 0.467 420 S N 0.095 115.770 115.700 -0.042 0.000 2.348 420 S HA -0.106 4.365 4.470 0.000 0.000 0.219 420 S C 2.275 176.856 174.600 -0.030 0.000 1.033 420 S CA 1.066 59.246 58.200 -0.034 0.000 0.974 420 S CB 0.001 63.178 63.200 -0.038 0.000 0.868 420 S HN 0.320 nan 8.310 nan 0.000 0.459 421 V N 2.886 122.775 119.914 -0.041 0.000 2.759 421 V HA -0.076 4.044 4.120 0.000 0.000 0.256 421 V C 2.137 178.209 176.094 -0.037 0.000 1.080 421 V CA 1.634 63.911 62.300 -0.039 0.000 1.101 421 V CB -1.060 30.733 31.823 -0.051 0.000 0.698 421 V HN 0.531 nan 8.190 nan 0.000 0.477 422 R N 0.845 121.320 120.500 -0.042 0.000 2.148 422 R HA -0.055 4.285 4.340 0.000 0.000 0.227 422 R C 1.081 177.365 176.300 -0.028 0.000 1.103 422 R CA 0.705 56.781 56.100 -0.040 0.000 0.983 422 R CB -0.565 29.708 30.300 -0.044 0.000 0.874 422 R HN 0.614 nan 8.270 nan 0.000 0.451 423 Q N 1.635 121.422 119.800 -0.022 0.000 2.289 423 Q HA 0.069 4.409 4.340 0.000 0.000 0.273 423 Q C -1.880 174.113 176.000 -0.011 0.000 1.029 423 Q CA -1.641 54.154 55.803 -0.014 0.000 0.896 423 Q CB 1.253 29.988 28.738 -0.006 0.000 1.182 423 Q HN 0.081 nan 8.270 nan 0.000 0.385 424 P HA -0.214 nan 4.420 nan 0.000 0.218 424 P C 1.015 178.305 177.300 -0.016 0.000 1.146 424 P CA 1.456 64.546 63.100 -0.016 0.000 0.820 424 P CB 0.185 31.874 31.700 -0.018 0.000 0.778 425 G N -1.621 107.174 108.800 -0.009 0.000 2.572 425 G HA2 -0.153 3.807 3.960 0.000 0.000 0.216 425 G HA3 -0.153 3.807 3.960 0.000 0.000 0.216 425 G C 0.240 175.157 174.900 0.028 0.000 1.133 425 G CA -0.098 44.997 45.100 -0.008 0.000 0.791 425 G HN 0.381 nan 8.290 nan 0.000 0.538 426 C N 2.074 121.394 119.300 0.032 0.000 2.610 426 C HA 0.344 4.804 4.460 0.000 0.000 0.382 426 C C 1.960 176.969 174.990 0.031 0.000 1.287 426 C CA -0.713 58.333 59.018 0.046 0.000 1.640 426 C CB -1.441 26.306 27.740 0.011 0.000 2.335 426 C HN 0.411 nan 8.230 nan 0.000 0.577 427 L N 4.978 126.239 121.223 0.064 0.000 2.622 427 L HA 0.021 4.361 4.340 0.000 0.000 0.233 427 L C 1.205 178.080 176.870 0.008 0.000 1.156 427 L CA -0.106 54.753 54.840 0.031 0.000 0.866 427 L CB -0.648 41.443 42.059 0.053 0.000 0.980 427 L HN 0.634 nan 8.230 nan 0.000 0.448 428 L N 0.384 121.606 121.223 -0.003 0.000 2.525 428 L HA -0.105 4.236 4.340 0.000 0.000 0.278 428 L C 1.157 178.008 176.870 -0.031 0.000 1.218 428 L CA 0.972 55.796 54.840 -0.027 0.000 0.878 428 L CB 0.501 42.535 42.059 -0.041 0.000 1.127 428 L HN 0.067 nan 8.230 nan 0.000 0.492 429 E N 1.709 121.886 120.200 -0.038 0.000 2.447 429 E HA 0.142 4.493 4.350 0.000 0.000 0.204 429 E C -0.435 176.141 176.600 -0.039 0.000 0.977 429 E CA 0.100 56.480 56.400 -0.032 0.000 0.950 429 E CB 0.497 30.184 29.700 -0.022 0.000 0.975 429 E HN 0.677 nan 8.360 nan 0.000 0.496 430 Q N 0.896 120.659 119.800 -0.061 0.000 2.331 430 Q HA 0.308 4.649 4.340 0.000 0.000 0.249 430 Q C -2.124 173.818 176.000 -0.096 0.000 0.913 430 Q CA -0.537 55.226 55.803 -0.066 0.000 0.874 430 Q CB 1.219 29.925 28.738 -0.053 0.000 1.384 430 Q HN 0.052 nan 8.270 nan 0.000 0.427 431 L N 4.575 125.749 121.223 -0.081 0.000 2.296 431 L HA 0.648 4.989 4.340 0.000 0.000 0.286 431 L C -1.511 175.312 176.870 -0.079 0.000 1.023 431 L CA -0.475 54.314 54.840 -0.085 0.000 0.812 431 L CB 1.873 43.890 42.059 -0.069 0.000 1.223 431 L HN 0.505 nan 8.230 nan 0.000 0.421 432 V N 7.087 126.955 119.914 -0.078 0.000 2.347 432 V HA 0.371 4.491 4.120 0.000 0.000 0.280 432 V C 0.231 176.312 176.094 -0.022 0.000 1.021 432 V CA -0.315 61.935 62.300 -0.083 0.000 0.847 432 V CB 1.245 33.068 31.823 0.001 0.000 0.990 432 V HN 0.651 nan 8.190 nan 0.000 0.444 433 L N 5.215 126.407 121.223 -0.052 0.000 2.960 433 L HA 0.408 4.749 4.340 0.000 0.000 0.274 433 L C -0.628 176.299 176.870 0.095 0.000 1.327 433 L CA -0.351 54.553 54.840 0.107 0.000 0.860 433 L CB 0.126 42.363 42.059 0.297 0.000 1.239 433 L HN 0.502 nan 8.230 nan 0.000 0.551 434 Y N 0.578 120.942 120.300 0.108 0.000 2.480 434 Y HA -0.005 4.545 4.550 0.000 0.000 0.338 434 Y C 1.255 177.171 175.900 0.026 0.000 1.220 434 Y CA 0.065 58.199 58.100 0.057 0.000 1.430 434 Y CB 0.336 38.836 38.460 0.066 0.000 1.311 434 Y HN 0.334 nan 8.280 nan 0.000 0.575 435 D N 0.731 121.235 120.400 0.173 0.000 2.882 435 D HA -0.242 4.399 4.640 0.000 0.000 0.229 435 D C -0.698 175.620 176.300 0.029 0.000 1.167 435 D CA 0.903 54.939 54.000 0.060 0.000 0.759 435 D CB -1.206 39.630 40.800 0.060 0.000 1.088 435 D HN 0.375 nan 8.370 nan 0.000 0.425 436 I N 0.803 121.361 120.570 -0.020 0.000 2.339 436 I HA 0.174 4.344 4.170 0.000 0.000 0.290 436 I C 0.265 176.255 176.117 -0.212 0.000 0.994 436 I CA -1.018 60.283 61.300 0.003 0.000 1.191 436 I CB 1.101 39.205 38.000 0.173 0.000 1.343 436 I HN -0.150 nan 8.210 nan 0.000 0.458 437 Y N 8.085 128.276 120.300 -0.182 0.000 2.310 437 Y HA 0.502 5.053 4.550 0.000 0.000 0.326 437 Y C -0.908 174.983 175.900 -0.015 0.000 1.151 437 Y CA -1.032 56.921 58.100 -0.246 0.000 1.195 437 Y CB 0.967 39.360 38.460 -0.111 0.000 1.210 437 Y HN 0.531 nan 8.280 nan 0.000 0.483 438 W N 3.220 124.114 121.300 -0.677 0.000 3.275 438 W HA 0.585 5.245 4.660 0.000 0.000 0.306 438 W C -1.068 175.073 176.519 -0.630 0.000 1.259 438 W CA -1.111 55.869 57.345 -0.608 0.000 1.194 438 W CB -0.497 28.820 29.460 -0.238 0.000 1.375 438 W HN 0.744 nan 8.180 nan 0.000 0.564 439 S N 0.270 115.888 115.700 -0.138 0.000 2.592 439 S HA -0.018 4.452 4.470 0.000 0.000 0.256 439 S C 1.046 175.720 174.600 0.123 0.000 1.369 439 S CA 0.780 58.955 58.200 -0.042 0.000 0.984 439 S CB 0.693 63.882 63.200 -0.018 0.000 0.919 439 S HN 0.787 nan 8.310 nan 0.000 0.576 440 E N -0.287 119.968 120.200 0.093 0.000 2.150 440 E HA -0.188 4.162 4.350 0.000 0.000 0.193 440 E C 1.869 178.515 176.600 0.075 0.000 0.985 440 E CA 1.103 57.566 56.400 0.104 0.000 0.814 440 E CB -0.332 29.414 29.700 0.076 0.000 0.752 440 E HN 0.849 nan 8.360 nan 0.000 0.466 441 E N 0.586 120.810 120.200 0.041 0.000 2.031 441 E HA -0.234 4.116 4.350 0.000 0.000 0.193 441 E C 2.088 178.672 176.600 -0.027 0.000 0.994 441 E CA 1.473 57.877 56.400 0.006 0.000 0.800 441 E CB -0.054 29.642 29.700 -0.007 0.000 0.752 441 E HN 0.265 nan 8.360 nan 0.000 0.447 442 M N 1.253 120.824 119.600 -0.048 0.000 2.175 442 M HA -0.138 4.343 4.480 0.000 0.000 0.264 442 M C 1.860 178.017 176.300 -0.238 0.000 1.063 442 M CA 1.765 56.949 55.300 -0.193 0.000 1.119 442 M CB -0.166 32.265 32.600 -0.282 0.000 1.377 442 M HN 0.053 nan 8.290 nan 0.000 0.415 443 E N 0.373 120.589 120.200 0.027 0.000 2.085 443 E HA -0.228 4.122 4.350 0.000 0.000 0.194 443 E C 1.525 178.158 176.600 0.055 0.000 0.994 443 E CA 2.201 58.723 56.400 0.203 0.000 0.801 443 E CB -0.428 29.471 29.700 0.332 0.000 0.743 443 E HN 0.567 nan 8.360 nan 0.000 0.453 444 D N -0.129 120.286 120.400 0.024 0.000 2.097 444 D HA -0.175 4.465 4.640 0.000 0.000 0.195 444 D C 2.027 178.305 176.300 -0.038 0.000 0.989 444 D CA 1.152 55.153 54.000 0.002 0.000 0.827 444 D CB -0.330 40.470 40.800 0.000 0.000 0.966 444 D HN 0.207 nan 8.370 nan 0.000 0.456 445 R N 0.386 120.838 120.500 -0.080 0.000 2.096 445 R HA -0.078 4.262 4.340 0.000 0.000 0.235 445 R C 2.468 178.690 176.300 -0.130 0.000 1.127 445 R CA 0.765 56.801 56.100 -0.107 0.000 0.968 445 R CB -0.161 30.054 30.300 -0.141 0.000 0.861 445 R HN 0.182 nan 8.270 nan 0.000 0.440 446 L N 0.094 121.210 121.223 -0.177 0.000 2.131 446 L HA -0.104 4.236 4.340 0.000 0.000 0.206 446 L C 2.552 179.383 176.870 -0.065 0.000 1.087 446 L CA 0.852 55.587 54.840 -0.174 0.000 0.767 446 L CB -0.350 41.527 42.059 -0.304 0.000 0.917 446 L HN 0.225 nan 8.230 nan 0.000 0.441 447 Q N -0.074 119.714 119.800 -0.019 0.000 2.167 447 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 447 Q C 2.365 178.360 176.000 -0.007 0.000 0.970 447 Q CA 1.545 57.354 55.803 0.011 0.000 0.855 447 Q CB -0.066 28.693 28.738 0.035 0.000 0.911 447 Q HN 0.550 nan 8.270 nan 0.000 0.438 448 A N 0.869 123.675 122.820 -0.023 0.000 1.898 448 A HA -0.115 4.205 4.320 0.000 0.000 0.214 448 A C 2.085 179.650 177.584 -0.032 0.000 1.183 448 A CA 0.774 52.797 52.037 -0.025 0.000 0.622 448 A CB -0.510 18.472 19.000 -0.029 0.000 0.824 448 A HN 0.318 nan 8.150 nan 0.000 0.444 449 L N 0.425 121.618 121.223 -0.050 0.000 2.012 449 L HA -0.171 4.170 4.340 0.000 0.000 0.210 449 L C 1.991 178.837 176.870 -0.039 0.000 1.073 449 L CA 2.536 57.344 54.840 -0.054 0.000 0.748 449 L CB -0.699 41.312 42.059 -0.081 0.000 0.891 449 L HN 0.512 nan 8.230 nan 0.000 0.431 450 E N -0.843 119.338 120.200 -0.033 0.000 2.333 450 E HA -0.183 4.167 4.350 0.000 0.000 0.198 450 E C 1.787 178.381 176.600 -0.011 0.000 1.007 450 E CA 0.729 57.118 56.400 -0.019 0.000 0.845 450 E CB 0.071 29.768 29.700 -0.006 0.000 0.766 450 E HN 0.442 nan 8.360 nan 0.000 0.507 451 K N 0.309 120.702 120.400 -0.012 0.000 2.168 451 K HA -0.012 4.309 4.320 0.000 0.000 0.201 451 K C 1.306 177.900 176.600 -0.011 0.000 1.049 451 K CA 0.640 56.922 56.287 -0.008 0.000 0.974 451 K CB 0.167 32.664 32.500 -0.005 0.000 0.792 451 K HN 0.060 nan 8.250 nan 0.000 0.463 452 D N 0.880 121.270 120.400 -0.017 0.000 2.317 452 D HA -0.071 4.570 4.640 0.000 0.000 0.211 452 D C 0.523 176.812 176.300 -0.018 0.000 0.966 452 D CA 0.793 54.783 54.000 -0.018 0.000 0.876 452 D CB 0.295 41.082 40.800 -0.022 0.000 0.927 452 D HN 0.041 nan 8.370 nan 0.000 0.519 453 K N 0.855 121.243 120.400 -0.020 0.000 2.992 453 K HA 0.151 4.472 4.320 0.000 0.000 0.178 453 K C -2.165 174.425 176.600 -0.017 0.000 1.122 453 K CA -1.195 55.080 56.287 -0.020 0.000 0.926 453 K CB 1.640 34.124 32.500 -0.025 0.000 1.121 453 K HN -0.246 nan 8.250 nan 0.000 0.610 454 P HA -0.137 nan 4.420 nan 0.000 0.231 454 P C 0.803 178.098 177.300 -0.007 0.000 1.158 454 P CA 0.937 64.032 63.100 -0.008 0.000 0.763 454 P CB 0.264 31.962 31.700 -0.004 0.000 0.805 455 S N -1.307 114.386 115.700 -0.010 0.000 2.489 455 S HA -0.007 4.463 4.470 0.000 0.000 0.228 455 S C 0.821 175.413 174.600 -0.013 0.000 0.995 455 S CA -0.053 58.141 58.200 -0.009 0.000 0.934 455 S CB -0.776 62.417 63.200 -0.011 0.000 0.771 455 S HN 0.068 nan 8.310 nan 0.000 0.522 456 L N 2.454 123.666 121.223 -0.018 0.000 2.280 456 L HA 0.558 4.898 4.340 0.000 0.000 0.287 456 L C -0.256 176.600 176.870 -0.023 0.000 1.023 456 L CA -0.955 53.871 54.840 -0.024 0.000 0.819 456 L CB 1.273 43.313 42.059 -0.032 0.000 1.212 456 L HN 0.154 nan 8.230 nan 0.000 0.420 457 R N 4.035 124.522 120.500 -0.022 0.000 2.265 457 R HA 0.609 4.950 4.340 0.000 0.000 0.319 457 R C -1.400 174.881 176.300 -0.031 0.000 1.006 457 R CA -0.548 55.541 56.100 -0.018 0.000 0.880 457 R CB 1.172 31.468 30.300 -0.008 0.000 1.077 457 R HN 0.559 nan 8.270 nan 0.000 0.454 458 V N 7.459 127.357 119.914 -0.027 0.000 2.220 458 V HA 0.228 4.348 4.120 0.000 0.000 0.265 458 V C 0.429 176.504 176.094 -0.033 0.000 1.078 458 V CA -0.579 61.703 62.300 -0.031 0.000 0.872 458 V CB 0.380 32.189 31.823 -0.023 0.000 1.121 458 V HN 0.742 nan 8.190 nan 0.000 0.460 459 I N 3.967 124.482 120.570 -0.091 0.000 2.710 459 I HA 0.259 4.429 4.170 0.000 0.000 0.286 459 I C 0.791 176.705 176.117 -0.339 0.000 1.181 459 I CA 0.970 62.154 61.300 -0.194 0.000 1.430 459 I CB 0.742 38.590 38.000 -0.254 0.000 1.367 459 I HN 0.755 nan 8.210 nan 0.000 0.577 460 S N 0.000 115.523 115.700 -0.295 0.000 2.498 460 S HA 0.000 4.470 4.470 0.000 0.000 0.327 460 S CA 0.000 58.077 58.200 -0.204 0.000 1.107 460 S CB 0.000 63.218 63.200 0.030 0.000 0.593 460 S HN 0.000 nan 8.310 nan 0.000 0.517