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 3c2w_1_C DATA FIRST_RESID 5 DATA SEQUENCE TPVTLANCED EPIHVPGAIQ PHGALVTLRA DGMVLAASEN IQALLGFVAS DATA SEQUENCE PGSYLTQEQV GPEVLRMLEE GLTGNGPWSN SVETRIGEHL FDVIGHSYKE DATA SEQUENCE VFYLEFEIRT ADTLSITSFT LNAQRIIAQV QLHNDTASLL SNVTDELRRM DATA SEQUENCE TGYDRVMAYR FRHDDSGEVV AESRREDLES YLGQRYPASD IPAQARRLYI DATA SEQUENCE QNPIRLIADV AYTPMRVFPA LNPETNESFD LSYSVLRSVS PIHCEYLTNM DATA SEQUENCE GVRASMSISI VVGGKLWGLF SCHHMSPKLI PYPVRMSFQI FSQVCSAIVE DATA SEQUENCE RLEQGRIAEL LRVSTERRLA LARRARDADD LFGALAHPDD GIAALIPCDG DATA SEQUENCE ALVMLGGRTL SIRGDFERQA GNVLQRLQRD PERDIYHTDN WXXXXXXXXX DATA SEQUENCE XGDCCGVLAI RFHRQESGWI FWFRHEEVHR IRWGGKPEKL LTIGPSGPRL DATA SEQUENCE TPRGSFEAWE EVVRGHSTPW SETDLAIAEK LRLDLMELCL NH 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.714 174.700 0.023 0.000 1.109 5 T CA 0.000 62.113 62.100 0.022 0.000 1.349 5 T CB 0.000 68.882 68.868 0.024 0.000 0.612 6 P HA 0.599 nan 4.420 nan 0.000 0.290 6 P C -0.656 176.660 177.300 0.027 0.000 1.276 6 P CA -0.723 62.391 63.100 0.024 0.000 0.808 6 P CB 0.822 32.535 31.700 0.021 0.000 0.966 7 V N 0.237 120.169 119.914 0.031 0.000 2.546 7 V HA 0.785 4.905 4.120 0.000 0.000 0.284 7 V C 0.171 176.287 176.094 0.036 0.000 1.050 7 V CA -0.114 62.207 62.300 0.036 0.000 0.981 7 V CB 0.694 32.543 31.823 0.044 0.000 0.990 7 V HN 0.898 nan 8.190 nan 0.000 0.474 8 T N 1.362 115.938 114.554 0.036 0.000 2.647 8 T HA 0.470 4.821 4.350 0.000 0.000 0.295 8 T C 0.504 175.227 174.700 0.039 0.000 1.126 8 T CA -0.747 61.374 62.100 0.035 0.000 1.040 8 T CB 1.080 69.965 68.868 0.028 0.000 1.472 8 T HN 0.325 nan 8.240 nan 0.000 0.500 9 L N 0.390 121.635 121.223 0.037 0.000 2.261 9 L HA 0.132 4.472 4.340 0.000 0.000 0.216 9 L C 2.625 179.517 176.870 0.036 0.000 1.114 9 L CA 2.190 57.054 54.840 0.040 0.000 0.777 9 L CB -1.869 40.211 42.059 0.036 0.000 0.910 9 L HN 0.971 nan 8.230 nan 0.000 0.440 10 A N -1.438 121.401 122.820 0.031 0.000 2.275 10 A HA 0.055 4.375 4.320 0.000 0.000 0.212 10 A C 1.570 179.171 177.584 0.028 0.000 1.201 10 A CA 0.285 52.338 52.037 0.027 0.000 0.843 10 A CB -0.212 18.801 19.000 0.022 0.000 0.873 10 A HN 0.397 nan 8.150 nan 0.000 0.492 11 N N -1.851 116.869 118.700 0.032 0.000 2.210 11 N HA 0.041 4.781 4.740 0.000 0.000 0.203 11 N C 1.134 176.666 175.510 0.038 0.000 1.175 11 N CA 0.278 53.348 53.050 0.033 0.000 0.894 11 N CB -0.591 37.916 38.487 0.033 0.000 1.041 11 N HN 0.314 nan 8.380 nan 0.000 0.506 12 C N 2.003 121.328 119.300 0.042 0.000 2.336 12 C HA -0.237 4.224 4.460 0.000 0.000 0.272 12 C C 2.342 177.356 174.990 0.040 0.000 1.160 12 C CA 1.952 60.998 59.018 0.047 0.000 1.783 12 C CB -0.887 26.886 27.740 0.054 0.000 2.050 12 C HN 0.612 nan 8.230 nan 0.000 0.443 13 E N 0.112 120.332 120.200 0.034 0.000 2.265 13 E HA -0.138 4.212 4.350 0.000 0.000 0.196 13 E C 0.935 177.549 176.600 0.022 0.000 0.996 13 E CA 1.550 57.966 56.400 0.027 0.000 0.832 13 E CB -0.305 29.410 29.700 0.024 0.000 0.756 13 E HN 0.620 nan 8.360 nan 0.000 0.491 14 D N 0.435 120.852 120.400 0.029 0.000 2.431 14 D HA 0.009 4.649 4.640 0.000 0.000 0.213 14 D C -0.319 176.008 176.300 0.046 0.000 1.130 14 D CA -0.072 53.947 54.000 0.031 0.000 0.834 14 D CB 0.133 40.951 40.800 0.030 0.000 0.985 14 D HN 0.313 nan 8.370 nan 0.000 0.504 15 E N 2.477 122.706 120.200 0.049 0.000 2.376 15 E HA 0.077 4.428 4.350 0.000 0.000 0.266 15 E C -2.241 174.418 176.600 0.099 0.000 1.009 15 E CA -1.414 55.025 56.400 0.064 0.000 0.902 15 E CB 0.935 30.669 29.700 0.057 0.000 0.972 15 E HN -0.181 nan 8.360 nan 0.000 0.439 16 P HA 0.155 nan 4.420 nan 0.000 0.247 16 P C 0.081 177.513 177.300 0.221 0.000 1.756 16 P CA 0.048 63.324 63.100 0.293 0.000 1.117 16 P CB 0.041 31.856 31.700 0.192 0.000 1.869 17 I N 1.869 122.570 120.570 0.218 0.000 3.444 17 I HA -0.112 4.058 4.170 0.000 0.000 0.287 17 I C 1.491 177.681 176.117 0.122 0.000 1.302 17 I CA 0.430 61.795 61.300 0.109 0.000 1.368 17 I CB 0.083 38.108 38.000 0.041 0.000 1.048 17 I HN 0.288 nan 8.210 nan 0.000 0.487 18 H N 0.461 119.526 119.070 -0.007 0.000 2.486 18 H HA 0.119 4.675 4.556 0.000 0.000 0.287 18 H C 0.849 176.205 175.328 0.046 0.000 1.010 18 H CA 0.849 56.899 56.048 0.003 0.000 1.324 18 H CB -0.823 28.951 29.762 0.020 0.000 1.446 18 H HN 0.231 nan 8.280 nan 0.000 0.537 19 V N 0.241 119.876 119.914 -0.465 0.000 2.225 19 V HA 0.347 4.467 4.120 0.000 0.000 0.264 19 V C -2.363 173.662 176.094 -0.115 0.000 1.067 19 V CA -1.501 60.633 62.300 -0.276 0.000 0.903 19 V CB 1.394 32.983 31.823 -0.389 0.000 1.136 19 V HN 0.033 nan 8.190 nan 0.000 0.456 20 P HA 0.261 nan 4.420 nan 0.000 0.234 20 P C 1.278 178.572 177.300 -0.011 0.000 1.175 20 P CA 1.099 64.192 63.100 -0.013 0.000 0.801 20 P CB 0.307 32.013 31.700 0.008 0.000 0.891 21 G N 0.077 108.883 108.800 0.009 0.000 2.356 21 G HA2 0.002 3.962 3.960 0.000 0.000 0.296 21 G HA3 0.002 3.962 3.960 0.000 0.000 0.296 21 G C 0.189 175.041 174.900 -0.080 0.000 1.022 21 G CA 0.203 45.303 45.100 0.000 0.000 0.961 21 G HN 0.760 nan 8.290 nan 0.000 0.510 22 A N -0.883 121.909 122.820 -0.047 0.000 2.566 22 A HA 0.841 5.161 4.320 0.000 0.000 0.297 22 A C -0.222 177.366 177.584 0.007 0.000 1.059 22 A CA -0.198 51.811 52.037 -0.046 0.000 0.691 22 A CB 1.330 20.308 19.000 -0.037 0.000 1.282 22 A HN 1.782 nan 8.150 nan 0.000 0.401 23 I N -1.311 119.271 120.570 0.020 0.000 3.237 23 I HA 0.664 4.834 4.170 0.000 0.000 0.308 23 I C -0.414 175.765 176.117 0.102 0.000 1.093 23 I CA -1.032 60.287 61.300 0.032 0.000 1.001 23 I CB 1.727 39.721 38.000 -0.010 0.000 1.245 23 I HN 0.674 nan 8.210 nan 0.000 0.485 24 Q N 1.291 121.106 119.800 0.024 0.000 2.230 24 Q HA 0.344 4.684 4.340 0.000 0.000 0.248 24 Q C -2.041 173.955 176.000 -0.007 0.000 0.915 24 Q CA -1.625 54.203 55.803 0.043 0.000 0.900 24 Q CB 1.366 30.050 28.738 -0.090 0.000 1.229 24 Q HN 0.469 nan 8.270 nan 0.000 0.439 25 P HA -0.071 nan 4.420 nan 0.000 0.242 25 P C 0.047 177.396 177.300 0.082 0.000 1.197 25 P CA 0.911 64.074 63.100 0.105 0.000 0.765 25 P CB -0.075 31.726 31.700 0.169 0.000 0.936 26 H N -2.489 116.618 119.070 0.062 0.000 2.539 26 H HA 0.495 5.051 4.556 0.000 0.000 0.269 26 H C 0.699 176.061 175.328 0.057 0.000 0.980 26 H CA -0.069 56.003 56.048 0.040 0.000 1.152 26 H CB -0.081 29.691 29.762 0.016 0.000 1.407 26 H HN 0.015 nan 8.280 nan 0.000 0.564 27 G N -1.084 107.624 108.800 -0.154 0.000 2.600 27 G HA2 0.639 4.600 3.960 0.000 0.000 0.293 27 G HA3 0.639 4.600 3.960 0.000 0.000 0.293 27 G C -1.736 173.185 174.900 0.036 0.000 1.408 27 G CA -0.660 44.434 45.100 -0.010 0.000 0.782 27 G HN 0.567 nan 8.290 nan 0.000 0.482 28 A N -0.898 122.018 122.820 0.160 0.000 2.413 28 A HA 0.858 5.178 4.320 0.000 0.000 0.307 28 A C -1.418 176.310 177.584 0.238 0.000 1.087 28 A CA -0.610 51.524 52.037 0.163 0.000 0.750 28 A CB 2.001 21.084 19.000 0.139 0.000 1.296 28 A HN 1.793 nan 8.150 nan 0.000 0.423 29 L N 1.638 122.959 121.223 0.163 0.000 2.342 29 L HA 0.848 5.188 4.340 0.000 0.000 0.271 29 L C -1.255 175.719 176.870 0.173 0.000 1.008 29 L CA -0.420 54.514 54.840 0.157 0.000 0.818 29 L CB 2.210 44.316 42.059 0.078 0.000 1.296 29 L HN 0.475 nan 8.230 nan 0.000 0.427 30 V N 2.237 122.272 119.914 0.202 0.000 2.531 30 V HA 0.613 4.733 4.120 0.000 0.000 0.301 30 V C -0.119 176.018 176.094 0.072 0.000 1.034 30 V CA -0.297 62.100 62.300 0.161 0.000 0.865 30 V CB 1.835 33.832 31.823 0.290 0.000 0.995 30 V HN 0.909 nan 8.190 nan 0.000 0.424 31 T N 3.006 117.533 114.554 -0.044 0.000 2.867 31 T HA 0.865 5.215 4.350 0.000 0.000 0.282 31 T C -0.745 173.890 174.700 -0.109 0.000 1.000 31 T CA -0.506 61.489 62.100 -0.175 0.000 1.042 31 T CB 1.702 70.314 68.868 -0.427 0.000 0.973 31 T HN 0.229 nan 8.240 nan 0.000 0.465 32 L N 1.136 122.278 121.223 -0.135 0.000 2.194 32 L HA 0.779 5.119 4.340 0.000 0.000 0.248 32 L C 0.312 177.138 176.870 -0.074 0.000 1.071 32 L CA -1.033 53.750 54.840 -0.096 0.000 0.901 32 L CB 2.045 44.026 42.059 -0.131 0.000 1.497 32 L HN 1.031 nan 8.230 nan 0.000 0.442 33 R N -0.729 119.699 120.500 -0.120 0.000 3.018 33 R HA 0.863 5.203 4.340 0.000 0.000 0.243 33 R C 0.597 176.745 176.300 -0.253 0.000 1.315 33 R CA -0.166 55.884 56.100 -0.085 0.000 1.039 33 R CB 0.532 30.804 30.300 -0.046 0.000 1.315 33 R HN 0.459 nan 8.270 nan 0.000 0.492 34 A N 0.457 123.176 122.820 -0.169 0.000 1.927 34 A HA -0.302 4.019 4.320 0.000 0.000 0.220 34 A C 1.399 178.740 177.584 -0.404 0.000 1.185 34 A CA 2.379 54.253 52.037 -0.271 0.000 0.639 34 A CB -1.245 17.703 19.000 -0.086 0.000 0.820 34 A HN 0.908 nan 8.150 nan 0.000 0.451 35 D N -3.561 116.652 120.400 -0.311 0.000 2.350 35 D HA 0.349 4.989 4.640 0.000 0.000 0.213 35 D C 1.040 177.047 176.300 -0.488 0.000 1.031 35 D CA 0.968 54.778 54.000 -0.316 0.000 0.861 35 D CB -0.204 40.495 40.800 -0.169 0.000 0.926 35 D HN 0.920 nan 8.370 nan 0.000 0.520 36 G N 0.232 108.704 108.800 -0.547 0.000 2.135 36 G HA2 -0.256 3.705 3.960 0.000 0.000 0.183 36 G HA3 -0.256 3.705 3.960 0.000 0.000 0.183 36 G C -0.068 174.408 174.900 -0.707 0.000 1.004 36 G CA -0.017 44.716 45.100 -0.611 0.000 0.677 36 G HN 0.431 nan 8.290 nan 0.000 0.512 37 M N 1.993 121.276 119.600 -0.528 0.000 2.077 37 M HA 0.556 5.036 4.480 0.000 0.000 0.348 37 M C 0.605 176.849 176.300 -0.092 0.000 1.252 37 M CA -0.585 54.544 55.300 -0.285 0.000 1.096 37 M CB 0.884 33.468 32.600 -0.026 0.000 1.568 37 M HN 0.008 nan 8.290 nan 0.000 0.456 38 V N 7.334 127.235 119.914 -0.023 0.000 2.583 38 V HA -0.165 3.955 4.120 0.000 0.000 0.302 38 V C 1.129 177.257 176.094 0.056 0.000 1.033 38 V CA 0.816 63.131 62.300 0.025 0.000 1.194 38 V CB -0.231 31.636 31.823 0.074 0.000 0.879 38 V HN 0.964 nan 8.190 nan 0.000 0.482 39 L N 3.941 125.200 121.223 0.060 0.000 2.515 39 L HA 0.519 4.859 4.340 0.000 0.000 0.223 39 L C 0.858 177.818 176.870 0.149 0.000 1.079 39 L CA 0.949 55.873 54.840 0.141 0.000 0.857 39 L CB 0.310 42.515 42.059 0.244 0.000 1.050 39 L HN 0.869 nan 8.230 nan 0.000 0.476 40 A N -0.708 122.131 122.820 0.032 0.000 2.410 40 A HA 0.810 5.130 4.320 0.000 0.000 0.300 40 A C -1.865 175.700 177.584 -0.031 0.000 1.077 40 A CA 0.080 52.111 52.037 -0.010 0.000 0.610 40 A CB 0.610 19.517 19.000 -0.156 0.000 1.371 40 A HN 0.004 nan 8.150 nan 0.000 0.510 41 A N -0.455 122.358 122.820 -0.012 0.000 2.583 41 A HA 0.774 5.095 4.320 0.000 0.000 0.292 41 A C -0.125 177.475 177.584 0.026 0.000 1.045 41 A CA 0.299 52.344 52.037 0.014 0.000 0.672 41 A CB 0.122 19.152 19.000 0.051 0.000 1.283 41 A HN 2.457 nan 8.150 nan 0.000 0.419 42 S N 0.223 115.936 115.700 0.022 0.000 2.579 42 S HA 0.290 4.760 4.470 0.000 0.000 0.275 42 S C 0.765 175.409 174.600 0.074 0.000 1.345 42 S CA 0.407 58.622 58.200 0.025 0.000 1.031 42 S CB 0.593 63.805 63.200 0.021 0.000 0.892 42 S HN 1.011 nan 8.310 nan 0.000 0.529 43 E N 0.759 121.034 120.200 0.125 0.000 2.515 43 E HA -0.150 4.200 4.350 0.000 0.000 0.201 43 E C 0.686 177.329 176.600 0.072 0.000 1.071 43 E CA 0.737 57.238 56.400 0.168 0.000 0.880 43 E CB -0.523 29.345 29.700 0.279 0.000 0.828 43 E HN 0.772 nan 8.360 nan 0.000 0.540 44 N N 1.144 119.867 118.700 0.038 0.000 2.235 44 N HA -0.003 4.738 4.740 0.000 0.000 0.231 44 N C 1.215 176.702 175.510 -0.039 0.000 1.177 44 N CA -0.032 53.025 53.050 0.011 0.000 0.874 44 N CB -0.092 38.414 38.487 0.033 0.000 1.097 44 N HN 0.209 nan 8.380 nan 0.000 0.518 45 I N -0.075 120.440 120.570 -0.091 0.000 2.179 45 I HA -0.197 3.973 4.170 0.000 0.000 0.242 45 I C 2.590 178.512 176.117 -0.325 0.000 1.088 45 I CA 1.344 62.497 61.300 -0.246 0.000 1.357 45 I CB -1.191 36.600 38.000 -0.349 0.000 1.051 45 I HN 0.176 nan 8.210 nan 0.000 0.409 46 Q N 1.406 121.064 119.800 -0.236 0.000 2.112 46 Q HA -0.220 4.120 4.340 0.000 0.000 0.206 46 Q C 2.235 178.160 176.000 -0.124 0.000 0.987 46 Q CA 2.514 58.200 55.803 -0.195 0.000 0.858 46 Q CB -0.309 28.367 28.738 -0.104 0.000 0.905 46 Q HN 0.641 nan 8.270 nan 0.000 0.420 47 A N -0.262 122.518 122.820 -0.067 0.000 2.014 47 A HA -0.048 4.273 4.320 0.000 0.000 0.218 47 A C 1.825 179.423 177.584 0.024 0.000 1.163 47 A CA 0.831 52.861 52.037 -0.011 0.000 0.652 47 A CB -0.256 18.751 19.000 0.012 0.000 0.808 47 A HN 0.444 nan 8.150 nan 0.000 0.449 48 L N -0.864 120.362 121.223 0.004 0.000 2.185 48 L HA 0.313 4.653 4.340 0.000 0.000 0.198 48 L C 0.602 177.524 176.870 0.087 0.000 1.079 48 L CA 1.074 55.984 54.840 0.116 0.000 0.780 48 L CB -0.158 41.987 42.059 0.143 0.000 0.955 48 L HN 0.311 nan 8.230 nan 0.000 0.462 49 L N -2.069 119.029 121.223 -0.207 0.000 2.358 49 L HA 0.430 4.770 4.340 0.000 0.000 0.268 49 L C 1.664 178.374 176.870 -0.267 0.000 1.032 49 L CA -0.037 54.576 54.840 -0.378 0.000 0.805 49 L CB 0.505 42.114 42.059 -0.751 0.000 1.253 49 L HN 0.081 nan 8.230 nan 0.000 0.452 50 G N 1.105 109.836 108.800 -0.114 0.000 2.469 50 G HA2 -0.208 3.752 3.960 0.000 0.000 0.219 50 G HA3 -0.208 3.752 3.960 0.000 0.000 0.219 50 G C 0.506 175.408 174.900 0.003 0.000 1.150 50 G CA 0.750 45.841 45.100 -0.015 0.000 0.763 50 G HN 0.554 nan 8.290 nan 0.000 0.561 51 F N -0.945 118.929 119.950 -0.128 0.000 2.321 51 F HA 0.715 5.242 4.527 0.000 0.000 0.318 51 F C -0.456 175.299 175.800 -0.075 0.000 1.129 51 F CA -1.647 56.295 58.000 -0.096 0.000 1.074 51 F CB 1.146 40.083 39.000 -0.104 0.000 1.432 51 F HN -0.168 nan 8.300 nan 0.000 0.502 52 V N 1.768 121.755 119.914 0.122 0.000 2.325 52 V HA 0.610 4.731 4.120 0.000 0.000 0.280 52 V C 0.249 176.446 176.094 0.171 0.000 1.016 52 V CA -0.865 61.450 62.300 0.024 0.000 0.818 52 V CB 0.183 32.023 31.823 0.029 0.000 1.019 52 V HN 1.108 nan 8.190 nan 0.000 0.434 53 A N 4.374 127.277 122.820 0.139 0.000 2.366 53 A HA 0.854 5.174 4.320 0.000 0.000 0.249 53 A C 0.462 178.115 177.584 0.115 0.000 1.084 53 A CA 0.119 52.285 52.037 0.216 0.000 0.794 53 A CB 0.522 19.657 19.000 0.225 0.000 1.034 53 A HN 1.289 nan 8.150 nan 0.000 0.491 54 S N -0.070 115.698 115.700 0.113 0.000 2.543 54 S HA 0.611 5.082 4.470 0.000 0.000 0.274 54 S C -3.378 171.274 174.600 0.088 0.000 1.149 54 S CA -1.323 56.928 58.200 0.084 0.000 0.866 54 S CB 1.227 64.466 63.200 0.065 0.000 1.111 54 S HN 0.404 nan 8.310 nan 0.000 0.457 55 P HA 0.416 nan 4.420 nan 0.000 0.266 55 P C 1.113 178.462 177.300 0.082 0.000 1.215 55 P CA 1.261 64.414 63.100 0.088 0.000 0.763 55 P CB 0.312 32.067 31.700 0.091 0.000 0.806 56 G N 1.972 110.831 108.800 0.099 0.000 2.436 56 G HA2 -0.208 3.752 3.960 0.000 0.000 0.204 56 G HA3 -0.208 3.752 3.960 0.000 0.000 0.204 56 G C 0.519 175.507 174.900 0.147 0.000 1.026 56 G CA 0.149 45.310 45.100 0.101 0.000 0.658 56 G HN 0.751 nan 8.290 nan 0.000 0.499 57 S N -0.127 115.657 115.700 0.140 0.000 2.593 57 S HA 0.654 5.124 4.470 0.000 0.000 0.269 57 S C -0.059 174.759 174.600 0.363 0.000 1.334 57 S CA -0.272 58.026 58.200 0.165 0.000 1.015 57 S CB 0.485 63.745 63.200 0.101 0.000 0.912 57 S HN 0.368 nan 8.310 nan 0.000 0.541 58 Y N 1.699 121.975 120.300 -0.041 0.000 2.409 58 Y HA 0.392 4.943 4.550 0.000 0.000 0.339 58 Y C 0.211 176.062 175.900 -0.082 0.000 1.033 58 Y CA -1.658 56.406 58.100 -0.061 0.000 1.094 58 Y CB 1.101 39.520 38.460 -0.069 0.000 1.210 58 Y HN 0.373 nan 8.280 nan 0.000 0.456 59 L N 3.295 124.525 121.223 0.012 0.000 2.499 59 L HA 0.071 4.412 4.340 0.000 0.000 0.273 59 L C 0.469 177.280 176.870 -0.098 0.000 1.195 59 L CA 0.653 55.441 54.840 -0.088 0.000 0.882 59 L CB 0.026 42.033 42.059 -0.087 0.000 1.133 59 L HN 0.735 nan 8.230 nan 0.000 0.483 60 T N -0.299 114.146 114.554 -0.182 0.000 2.893 60 T HA 0.354 4.704 4.350 0.000 0.000 0.291 60 T C 0.745 175.337 174.700 -0.180 0.000 1.028 60 T CA -0.799 61.215 62.100 -0.143 0.000 0.995 60 T CB 1.754 70.552 68.868 -0.116 0.000 1.051 60 T HN 0.550 nan 8.240 nan 0.000 0.470 61 Q N 0.314 120.044 119.800 -0.117 0.000 2.248 61 Q HA -0.215 4.125 4.340 0.000 0.000 0.208 61 Q C 1.822 177.752 176.000 -0.117 0.000 0.984 61 Q CA 1.944 57.685 55.803 -0.102 0.000 0.875 61 Q CB -0.148 28.552 28.738 -0.063 0.000 0.910 61 Q HN 0.873 nan 8.270 nan 0.000 0.433 62 E N 0.891 121.017 120.200 -0.123 0.000 2.072 62 E HA -0.215 4.135 4.350 0.000 0.000 0.191 62 E C 1.924 178.434 176.600 -0.150 0.000 0.985 62 E CA 1.748 58.083 56.400 -0.108 0.000 0.801 62 E CB 0.140 29.789 29.700 -0.086 0.000 0.750 62 E HN 0.520 nan 8.360 nan 0.000 0.452 63 Q N -1.143 118.483 119.800 -0.290 0.000 2.134 63 Q HA 0.047 4.387 4.340 0.000 0.000 0.195 63 Q C 2.118 177.775 176.000 -0.572 0.000 0.958 63 Q CA 1.136 56.634 55.803 -0.509 0.000 0.840 63 Q CB 0.020 28.110 28.738 -1.080 0.000 0.918 63 Q HN 0.158 nan 8.270 nan 0.000 0.467 64 V N 0.043 119.633 119.914 -0.540 0.000 2.949 64 V HA 0.287 4.407 4.120 0.000 0.000 0.245 64 V C 0.783 176.814 176.094 -0.104 0.000 1.086 64 V CA 1.256 63.373 62.300 -0.305 0.000 1.097 64 V CB 0.649 32.330 31.823 -0.236 0.000 0.762 64 V HN 0.669 nan 8.190 nan 0.000 0.470 65 G N -0.376 108.364 108.800 -0.100 0.000 2.587 65 G HA2 -0.063 3.897 3.960 0.000 0.000 0.686 65 G HA3 -0.063 3.897 3.960 0.000 0.000 0.686 65 G C -2.318 172.570 174.900 -0.020 0.000 1.236 65 G CA -0.298 44.778 45.100 -0.039 0.000 0.820 65 G HN 0.104 nan 8.290 nan 0.000 0.645 66 P HA -0.003 nan 4.420 nan 0.000 0.212 66 P C 1.580 178.886 177.300 0.011 0.000 1.180 66 P CA 1.998 65.095 63.100 -0.004 0.000 0.906 66 P CB 0.023 31.724 31.700 0.001 0.000 0.782 67 E N -0.555 119.661 120.200 0.028 0.000 2.265 67 E HA -0.101 4.249 4.350 0.000 0.000 0.196 67 E C 1.875 178.506 176.600 0.053 0.000 0.996 67 E CA 0.739 57.164 56.400 0.040 0.000 0.832 67 E CB -1.146 28.584 29.700 0.051 0.000 0.756 67 E HN 0.059 nan 8.360 nan 0.000 0.491 68 V N 0.993 120.943 119.914 0.059 0.000 2.358 68 V HA -0.234 3.887 4.120 0.000 0.000 0.246 68 V C 2.128 178.252 176.094 0.049 0.000 1.047 68 V CA 1.519 63.867 62.300 0.081 0.000 1.035 68 V CB -0.529 31.365 31.823 0.119 0.000 0.658 68 V HN 0.287 nan 8.190 nan 0.000 0.452 69 L N -0.675 120.555 121.223 0.011 0.000 2.156 69 L HA -0.070 4.271 4.340 0.000 0.000 0.208 69 L C 2.693 179.545 176.870 -0.030 0.000 1.095 69 L CA 1.209 56.033 54.840 -0.028 0.000 0.770 69 L CB -0.655 41.378 42.059 -0.043 0.000 0.914 69 L HN 0.213 nan 8.230 nan 0.000 0.439 70 R N 0.313 120.811 120.500 -0.004 0.000 2.096 70 R HA -0.237 4.103 4.340 0.000 0.000 0.240 70 R C 2.414 178.723 176.300 0.016 0.000 1.139 70 R CA 2.036 58.138 56.100 0.004 0.000 0.952 70 R CB -0.207 30.105 30.300 0.021 0.000 0.854 70 R HN 0.292 nan 8.270 nan 0.000 0.436 71 M N -0.169 119.463 119.600 0.053 0.000 2.081 71 M HA -0.135 4.345 4.480 0.000 0.000 0.261 71 M C 1.988 178.301 176.300 0.021 0.000 1.075 71 M CA 1.477 56.849 55.300 0.120 0.000 1.133 71 M CB -0.173 32.552 32.600 0.207 0.000 1.330 71 M HN 0.281 nan 8.290 nan 0.000 0.414 72 L N 1.109 122.310 121.223 -0.036 0.000 2.263 72 L HA -0.210 4.130 4.340 0.000 0.000 0.216 72 L C 1.995 178.661 176.870 -0.339 0.000 1.111 72 L CA 2.111 56.817 54.840 -0.223 0.000 0.773 72 L CB -0.674 41.303 42.059 -0.136 0.000 0.906 72 L HN 0.467 nan 8.230 nan 0.000 0.439 73 E N 0.315 120.385 120.200 -0.216 0.000 2.060 73 E HA -0.205 4.145 4.350 0.000 0.000 0.189 73 E C 1.984 178.454 176.600 -0.217 0.000 0.974 73 E CA 1.423 57.696 56.400 -0.212 0.000 0.808 73 E CB -0.317 29.307 29.700 -0.126 0.000 0.768 73 E HN 0.737 nan 8.360 nan 0.000 0.453 74 E N -0.879 119.231 120.200 -0.149 0.000 2.472 74 E HA -0.068 4.282 4.350 0.000 0.000 0.200 74 E C 1.611 178.102 176.600 -0.181 0.000 1.046 74 E CA 0.954 57.297 56.400 -0.094 0.000 0.871 74 E CB -0.043 29.666 29.700 0.014 0.000 0.806 74 E HN 0.300 nan 8.360 nan 0.000 0.533 75 G N 0.769 109.265 108.800 -0.507 0.000 2.673 75 G HA2 -0.026 3.934 3.960 0.000 0.000 0.208 75 G HA3 -0.026 3.934 3.960 0.000 0.000 0.208 75 G C 1.348 175.978 174.900 -0.451 0.000 1.128 75 G CA -0.234 44.276 45.100 -0.983 0.000 0.805 75 G HN 0.088 nan 8.290 nan 0.000 0.526 76 L N 2.061 122.989 121.223 -0.490 0.000 2.353 76 L HA 0.037 4.377 4.340 0.000 0.000 0.220 76 L C 2.808 179.538 176.870 -0.232 0.000 1.133 76 L CA 2.044 56.583 54.840 -0.502 0.000 0.798 76 L CB -0.383 41.330 42.059 -0.578 0.000 0.922 76 L HN 0.378 nan 8.230 nan 0.000 0.445 77 T N -4.857 109.609 114.554 -0.147 0.000 3.015 77 T HA 0.270 4.620 4.350 0.000 0.000 0.250 77 T C 1.037 175.734 174.700 -0.005 0.000 1.057 77 T CA 0.294 62.352 62.100 -0.071 0.000 1.066 77 T CB -0.054 68.772 68.868 -0.071 0.000 0.959 77 T HN 0.220 nan 8.240 nan 0.000 0.488 78 G N 1.519 110.336 108.800 0.029 0.000 2.335 78 G HA2 0.387 4.347 3.960 0.000 0.000 0.316 78 G HA3 0.387 4.347 3.960 0.000 0.000 0.316 78 G C 0.531 175.493 174.900 0.104 0.000 1.129 78 G CA -0.583 44.559 45.100 0.069 0.000 0.899 78 G HN 0.138 nan 8.290 nan 0.000 0.448 79 N N 2.637 121.385 118.700 0.081 0.000 2.069 79 N HA -0.077 4.663 4.740 0.000 0.000 0.191 79 N C 1.660 177.223 175.510 0.088 0.000 1.031 79 N CA 1.337 54.435 53.050 0.080 0.000 0.852 79 N CB -0.544 37.975 38.487 0.053 0.000 1.018 79 N HN 0.614 nan 8.380 nan 0.000 0.423 80 G N 0.904 109.757 108.800 0.088 0.000 2.109 80 G HA2 0.054 4.014 3.960 0.000 0.000 0.249 80 G HA3 0.054 4.014 3.960 0.000 0.000 0.249 80 G C -2.144 172.823 174.900 0.112 0.000 1.126 80 G CA -0.625 44.527 45.100 0.086 0.000 0.923 80 G HN 0.319 nan 8.290 nan 0.000 0.439 81 P HA -0.094 nan 4.420 nan 0.000 0.255 81 P C -0.231 177.146 177.300 0.128 0.000 1.151 81 P CA 0.357 63.496 63.100 0.065 0.000 0.767 81 P CB 0.256 31.967 31.700 0.018 0.000 0.736 82 W N 4.676 125.953 121.300 -0.039 0.000 2.303 82 W HA 0.536 5.196 4.660 0.000 0.000 0.334 82 W C -0.512 176.029 176.519 0.036 0.000 1.197 82 W CA 0.075 57.429 57.345 0.015 0.000 1.262 82 W CB 1.091 30.585 29.460 0.057 0.000 1.153 82 W HN 0.291 nan 8.180 nan 0.000 0.596 83 S N 4.393 119.537 115.700 -0.925 0.000 2.548 83 S HA 0.444 4.914 4.470 0.000 0.000 0.278 83 S C -1.555 172.479 174.600 -0.943 0.000 1.150 83 S CA -0.789 56.831 58.200 -0.966 0.000 0.907 83 S CB 0.622 63.612 63.200 -0.350 0.000 1.108 83 S HN 0.779 nan 8.310 nan 0.000 0.459 84 N N 0.705 118.898 118.700 -0.845 0.000 3.322 84 N HA 0.459 5.199 4.740 0.000 0.000 0.233 84 N C -1.823 173.565 175.510 -0.205 0.000 1.399 84 N CA -0.348 52.474 53.050 -0.380 0.000 0.894 84 N CB 1.572 39.947 38.487 -0.187 0.000 1.440 84 N HN 0.696 nan 8.380 nan 0.000 0.503 85 S N 0.500 116.157 115.700 -0.071 0.000 2.599 85 S HA 0.824 5.294 4.470 0.000 0.000 0.287 85 S C -1.428 173.163 174.600 -0.015 0.000 1.105 85 S CA -0.392 57.758 58.200 -0.084 0.000 0.899 85 S CB 1.959 65.140 63.200 -0.032 0.000 1.100 85 S HN 0.293 nan 8.310 nan 0.000 0.482 86 V N 1.446 121.342 119.914 -0.030 0.000 2.932 86 V HA 0.542 4.663 4.120 0.000 0.000 0.307 86 V C -0.938 175.181 176.094 0.042 0.000 1.147 86 V CA -0.648 61.670 62.300 0.031 0.000 0.951 86 V CB 1.925 33.786 31.823 0.064 0.000 1.031 86 V HN 1.040 nan 8.190 nan 0.000 0.426 87 E N 2.191 122.432 120.200 0.069 0.000 2.133 87 E HA 0.693 5.043 4.350 0.000 0.000 0.274 87 E C -0.818 175.849 176.600 0.111 0.000 0.930 87 E CA -0.176 56.282 56.400 0.097 0.000 0.770 87 E CB 1.709 31.462 29.700 0.090 0.000 1.104 87 E HN 0.840 nan 8.360 nan 0.000 0.403 88 T N 2.613 117.259 114.554 0.153 0.000 2.853 88 T HA 0.396 4.746 4.350 0.000 0.000 0.311 88 T C -1.297 173.515 174.700 0.187 0.000 1.307 88 T CA -0.936 61.250 62.100 0.143 0.000 1.019 88 T CB 1.267 70.211 68.868 0.127 0.000 1.264 88 T HN 0.533 nan 8.240 nan 0.000 0.497 89 R N 2.551 123.136 120.500 0.142 0.000 2.297 89 R HA 0.723 5.063 4.340 0.000 0.000 0.308 89 R C -0.902 175.460 176.300 0.104 0.000 1.029 89 R CA -0.440 55.755 56.100 0.159 0.000 0.929 89 R CB 0.370 30.736 30.300 0.110 0.000 1.046 89 R HN 0.654 nan 8.270 nan 0.000 0.461 90 I N 5.982 126.620 120.570 0.113 0.000 2.493 90 I HA 0.338 4.508 4.170 0.000 0.000 0.279 90 I C 0.682 176.792 176.117 -0.012 0.000 1.045 90 I CA -0.108 61.163 61.300 -0.050 0.000 1.106 90 I CB 1.596 39.385 38.000 -0.352 0.000 1.216 90 I HN 1.082 nan 8.210 nan 0.000 0.459 91 G N 4.869 113.658 108.800 -0.018 0.000 2.536 91 G HA2 -0.358 3.602 3.960 0.000 0.000 0.277 91 G HA3 -0.358 3.602 3.960 0.000 0.000 0.277 91 G C 0.687 175.550 174.900 -0.061 0.000 1.155 91 G CA 0.825 45.899 45.100 -0.044 0.000 0.960 91 G HN 0.585 nan 8.290 nan 0.000 0.544 92 E N 0.391 120.473 120.200 -0.196 0.000 2.051 92 E HA 0.059 4.409 4.350 0.000 0.000 0.189 92 E C 1.161 177.669 176.600 -0.155 0.000 0.979 92 E CA 1.518 57.753 56.400 -0.275 0.000 0.803 92 E CB -0.049 29.314 29.700 -0.561 0.000 0.761 92 E HN 0.667 nan 8.360 nan 0.000 0.451 93 H N 0.432 119.616 119.070 0.189 0.000 2.533 93 H HA 0.283 4.839 4.556 0.000 0.000 0.343 93 H C 0.025 175.536 175.328 0.304 0.000 1.160 93 H CA -1.069 55.072 56.048 0.156 0.000 1.218 93 H CB 0.876 30.650 29.762 0.020 0.000 1.566 93 H HN 0.070 nan 8.280 nan 0.000 0.522 94 L N -0.409 120.993 121.223 0.299 0.000 2.343 94 L HA 0.587 4.927 4.340 0.000 0.000 0.275 94 L C -0.978 176.062 176.870 0.283 0.000 1.056 94 L CA -0.673 54.375 54.840 0.348 0.000 0.804 94 L CB -0.112 42.066 42.059 0.197 0.000 1.203 94 L HN 0.285 nan 8.230 nan 0.000 0.440 95 F N 0.126 120.156 119.950 0.133 0.000 2.556 95 F HA 0.531 5.059 4.527 0.000 0.000 0.327 95 F C 0.482 176.350 175.800 0.113 0.000 1.059 95 F CA -0.632 57.459 58.000 0.151 0.000 0.953 95 F CB 1.359 40.495 39.000 0.228 0.000 1.227 95 F HN 0.492 nan 8.300 nan 0.000 0.478 96 D N 1.118 121.662 120.400 0.240 0.000 2.210 96 D HA 0.435 5.075 4.640 0.000 0.000 0.249 96 D C -0.933 175.404 176.300 0.061 0.000 1.078 96 D CA 0.086 54.137 54.000 0.085 0.000 0.875 96 D CB 2.165 42.954 40.800 -0.018 0.000 1.175 96 D HN 0.106 nan 8.370 nan 0.000 0.440 97 V N 4.795 124.672 119.914 -0.061 0.000 2.327 97 V HA 0.224 4.344 4.120 0.000 0.000 0.272 97 V C 0.408 176.342 176.094 -0.267 0.000 1.019 97 V CA -0.800 61.395 62.300 -0.175 0.000 0.814 97 V CB 0.912 32.702 31.823 -0.054 0.000 1.040 97 V HN 0.398 nan 8.190 nan 0.000 0.440 98 I N 1.649 122.006 120.570 -0.354 0.000 2.396 98 I HA 0.931 5.101 4.170 0.000 0.000 0.292 98 I C 0.289 176.313 176.117 -0.155 0.000 0.999 98 I CA 0.023 61.131 61.300 -0.321 0.000 1.310 98 I CB 1.634 39.403 38.000 -0.385 0.000 1.404 98 I HN 0.577 nan 8.210 nan 0.000 0.496 99 G N 5.122 113.848 108.800 -0.124 0.000 2.617 99 G HA2 0.662 4.622 3.960 0.000 0.000 0.306 99 G HA3 0.662 4.622 3.960 0.000 0.000 0.306 99 G C -1.444 173.267 174.900 -0.314 0.000 1.360 99 G CA -0.569 44.525 45.100 -0.011 0.000 0.983 99 G HN 1.088 nan 8.290 nan 0.000 0.496 100 H N -1.219 117.853 119.070 0.004 0.000 3.008 100 H HA 0.786 5.343 4.556 0.000 0.000 0.354 100 H C -0.783 174.712 175.328 0.277 0.000 1.252 100 H CA -0.811 55.218 56.048 -0.032 0.000 1.117 100 H CB 1.871 31.620 29.762 -0.022 0.000 1.857 100 H HN 0.550 nan 8.280 nan 0.000 0.547 101 S N 1.844 117.642 115.700 0.163 0.000 2.733 101 S HA 0.366 4.837 4.470 0.000 0.000 0.307 101 S C -1.494 173.160 174.600 0.089 0.000 1.127 101 S CA -0.798 57.301 58.200 -0.169 0.000 1.097 101 S CB 0.391 63.022 63.200 -0.948 0.000 1.003 101 S HN 0.663 nan 8.310 nan 0.000 0.477 102 Y N 3.590 123.977 120.300 0.146 0.000 2.446 102 Y HA 0.593 5.143 4.550 0.000 0.000 0.338 102 Y C 0.645 176.595 175.900 0.084 0.000 1.055 102 Y CA -0.453 57.664 58.100 0.028 0.000 1.101 102 Y CB 0.635 39.108 38.460 0.022 0.000 1.221 102 Y HN 0.847 nan 8.280 nan 0.000 0.460 103 K N 1.781 121.741 120.400 -0.733 0.000 1.844 103 K HA -0.310 4.010 4.320 0.000 0.000 0.160 103 K C 0.225 176.710 176.600 -0.191 0.000 1.448 103 K CA 1.933 57.938 56.287 -0.469 0.000 0.446 103 K CB -0.982 31.291 32.500 -0.378 0.000 0.635 103 K HN 0.965 nan 8.250 nan 0.000 0.848 104 E N 0.583 120.722 120.200 -0.102 0.000 2.583 104 E HA 0.186 4.536 4.350 0.000 0.000 0.213 104 E C -0.425 176.213 176.600 0.064 0.000 0.989 104 E CA -0.112 56.279 56.400 -0.015 0.000 0.991 104 E CB 0.845 30.551 29.700 0.011 0.000 1.040 104 E HN 0.121 nan 8.360 nan 0.000 0.481 105 V N 1.808 121.722 119.914 -0.000 0.000 2.481 105 V HA 0.228 4.349 4.120 0.000 0.000 0.286 105 V C -0.336 175.625 176.094 -0.220 0.000 1.042 105 V CA -0.362 61.916 62.300 -0.037 0.000 0.928 105 V CB 0.551 32.314 31.823 -0.101 0.000 0.986 105 V HN 0.030 nan 8.190 nan 0.000 0.462 106 F N 4.059 123.781 119.950 -0.381 0.000 2.404 106 F HA 0.628 5.155 4.527 0.000 0.000 0.339 106 F C -0.187 175.303 175.800 -0.518 0.000 1.105 106 F CA -0.741 57.082 58.000 -0.295 0.000 1.087 106 F CB 1.034 39.928 39.000 -0.177 0.000 1.143 106 F HN 0.340 nan 8.300 nan 0.000 0.491 107 Y N 2.816 123.101 120.300 -0.026 0.000 2.446 107 Y HA 0.655 5.206 4.550 0.000 0.000 0.345 107 Y C -0.567 175.310 175.900 -0.039 0.000 0.984 107 Y CA -0.990 57.047 58.100 -0.107 0.000 1.058 107 Y CB 1.695 39.972 38.460 -0.306 0.000 1.220 107 Y HN 0.292 nan 8.280 nan 0.000 0.455 108 L N 3.392 124.679 121.223 0.107 0.000 2.362 108 L HA 0.525 4.865 4.340 0.000 0.000 0.275 108 L C -0.956 175.787 176.870 -0.211 0.000 0.998 108 L CA -0.661 54.140 54.840 -0.066 0.000 0.820 108 L CB 2.059 44.067 42.059 -0.085 0.000 1.270 108 L HN 0.703 nan 8.230 nan 0.000 0.415 109 E N 3.904 123.887 120.200 -0.362 0.000 2.224 109 E HA 0.448 4.798 4.350 0.000 0.000 0.265 109 E C -1.590 174.786 176.600 -0.372 0.000 0.878 109 E CA -0.538 55.717 56.400 -0.241 0.000 0.759 109 E CB 2.329 31.994 29.700 -0.058 0.000 1.164 109 E HN 0.236 nan 8.360 nan 0.000 0.414 110 F N 1.494 121.512 119.950 0.113 0.000 2.444 110 F HA 0.368 4.895 4.527 0.000 0.000 0.342 110 F C 0.372 176.320 175.800 0.247 0.000 1.121 110 F CA -0.682 57.448 58.000 0.217 0.000 0.997 110 F CB 1.754 40.894 39.000 0.233 0.000 1.130 110 F HN 0.370 nan 8.300 nan 0.000 0.454 111 E N 3.813 124.251 120.200 0.396 0.000 2.275 111 E HA 0.413 4.764 4.350 0.000 0.000 0.270 111 E C -0.840 175.745 176.600 -0.025 0.000 0.882 111 E CA -0.800 55.713 56.400 0.188 0.000 0.758 111 E CB 1.517 31.310 29.700 0.155 0.000 1.195 111 E HN 0.399 nan 8.360 nan 0.000 0.419 112 I N 2.469 122.892 120.570 -0.245 0.000 2.892 112 I HA 0.091 4.261 4.170 0.000 0.000 0.287 112 I C 0.476 176.456 176.117 -0.229 0.000 1.205 112 I CA 0.391 61.386 61.300 -0.509 0.000 1.409 112 I CB 0.089 37.837 38.000 -0.419 0.000 1.367 112 I HN 0.600 nan 8.210 nan 0.000 0.597 113 R N 2.781 123.157 120.500 -0.208 0.000 2.352 113 R HA 0.340 4.680 4.340 0.000 0.000 0.304 113 R C -0.638 175.628 176.300 -0.058 0.000 1.104 113 R CA -0.225 55.832 56.100 -0.072 0.000 0.991 113 R CB 0.512 30.808 30.300 -0.006 0.000 1.140 113 R HN 0.696 nan 8.270 nan 0.000 0.540 114 T N 2.777 117.297 114.554 -0.056 0.000 3.419 114 T HA 0.488 4.839 4.350 0.000 0.000 0.228 114 T C -0.252 174.430 174.700 -0.029 0.000 0.939 114 T CA 0.321 62.389 62.100 -0.053 0.000 0.992 114 T CB 0.374 69.201 68.868 -0.068 0.000 1.186 114 T HN 0.677 nan 8.240 nan 0.000 0.612 115 A N 0.729 123.542 122.820 -0.012 0.000 2.806 115 A HA 0.701 5.022 4.320 0.000 0.000 0.310 115 A C -1.271 176.318 177.584 0.008 0.000 1.169 115 A CA -0.802 51.233 52.037 -0.004 0.000 0.621 115 A CB 0.564 19.560 19.000 -0.006 0.000 1.412 115 A HN 0.290 nan 8.150 nan 0.000 0.576 116 D N -0.483 119.923 120.400 0.009 0.000 2.567 116 D HA 0.267 4.907 4.640 0.000 0.000 0.268 116 D C -0.902 175.408 176.300 0.016 0.000 1.448 116 D CA 0.286 54.294 54.000 0.014 0.000 0.811 116 D CB 1.084 41.890 40.800 0.009 0.000 1.192 116 D HN 0.370 nan 8.370 nan 0.000 0.488 117 T N 1.346 115.910 114.554 0.018 0.000 2.772 117 T HA 0.302 4.652 4.350 0.000 0.000 0.288 117 T C -0.227 174.491 174.700 0.031 0.000 0.994 117 T CA -0.706 61.406 62.100 0.018 0.000 0.951 117 T CB 1.496 70.370 68.868 0.009 0.000 0.933 117 T HN -0.038 nan 8.240 nan 0.000 0.447 118 L N 3.875 125.118 121.223 0.033 0.000 2.667 118 L HA 0.064 4.404 4.340 0.000 0.000 0.278 118 L C 1.469 178.371 176.870 0.054 0.000 1.217 118 L CA 0.705 55.570 54.840 0.042 0.000 0.935 118 L CB -0.390 41.692 42.059 0.039 0.000 1.193 118 L HN 0.740 nan 8.230 nan 0.000 0.493 119 S N 5.099 120.836 115.700 0.062 0.000 2.413 119 S HA -0.192 4.278 4.470 0.000 0.000 0.237 119 S C 1.601 176.265 174.600 0.106 0.000 1.044 119 S CA 1.842 60.089 58.200 0.077 0.000 1.024 119 S CB -0.316 62.930 63.200 0.077 0.000 0.829 119 S HN 0.730 nan 8.310 nan 0.000 0.475 120 I N 1.519 122.146 120.570 0.095 0.000 3.059 120 I HA 0.003 4.173 4.170 0.000 0.000 0.270 120 I C 2.064 178.267 176.117 0.144 0.000 1.238 120 I CA 1.127 62.512 61.300 0.141 0.000 1.478 120 I CB -2.078 35.977 38.000 0.092 0.000 1.097 120 I HN 0.381 nan 8.210 nan 0.000 0.455 121 T N -3.218 111.388 114.554 0.085 0.000 3.022 121 T HA 0.078 4.429 4.350 0.000 0.000 0.250 121 T C 1.811 176.524 174.700 0.022 0.000 1.060 121 T CA 0.710 62.838 62.100 0.046 0.000 1.013 121 T CB 0.254 69.139 68.868 0.028 0.000 0.982 121 T HN 0.215 nan 8.240 nan 0.000 0.508 122 S N 0.758 116.483 115.700 0.041 0.000 2.371 122 S HA 0.072 4.542 4.470 0.000 0.000 0.219 122 S C 1.627 176.222 174.600 -0.009 0.000 1.040 122 S CA 0.328 58.532 58.200 0.007 0.000 0.958 122 S CB -0.647 62.564 63.200 0.017 0.000 0.860 122 S HN 0.472 nan 8.310 nan 0.000 0.487 123 F N 2.467 122.362 119.950 -0.093 0.000 2.161 123 F HA -0.036 4.491 4.527 0.000 0.000 0.300 123 F C 2.097 177.837 175.800 -0.100 0.000 1.089 123 F CA 2.039 59.965 58.000 -0.123 0.000 1.282 123 F CB -0.838 38.097 39.000 -0.107 0.000 1.010 123 F HN 0.204 nan 8.300 nan 0.000 0.485 124 T N 0.937 115.385 114.554 -0.176 0.000 3.023 124 T HA -0.043 4.307 4.350 0.000 0.000 0.266 124 T C 1.928 176.495 174.700 -0.222 0.000 1.093 124 T CA 1.161 63.105 62.100 -0.261 0.000 1.129 124 T CB -0.223 68.631 68.868 -0.023 0.000 0.899 124 T HN 0.360 nan 8.240 nan 0.000 0.491 125 L N 0.427 121.553 121.223 -0.162 0.000 2.375 125 L HA 0.223 4.563 4.340 0.000 0.000 0.215 125 L C 1.807 178.583 176.870 -0.156 0.000 1.108 125 L CA 0.883 55.648 54.840 -0.125 0.000 0.830 125 L CB -0.075 41.938 42.059 -0.078 0.000 0.959 125 L HN 0.209 nan 8.230 nan 0.000 0.457 126 N N -0.923 117.643 118.700 -0.224 0.000 2.422 126 N HA 0.029 4.769 4.740 0.000 0.000 0.181 126 N C 1.667 177.024 175.510 -0.255 0.000 1.080 126 N CA 0.566 53.468 53.050 -0.246 0.000 0.893 126 N CB 0.258 38.537 38.487 -0.346 0.000 0.973 126 N HN 0.346 nan 8.380 nan 0.000 0.456 127 A N 1.223 123.861 122.820 -0.303 0.000 1.903 127 A HA -0.095 4.225 4.320 0.000 0.000 0.213 127 A C 2.024 179.537 177.584 -0.119 0.000 1.185 127 A CA 0.848 52.750 52.037 -0.226 0.000 0.628 127 A CB -0.270 18.516 19.000 -0.356 0.000 0.830 127 A HN 0.186 nan 8.150 nan 0.000 0.446 128 Q N -0.675 119.049 119.800 -0.128 0.000 2.135 128 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 128 Q C 2.276 178.244 176.000 -0.052 0.000 0.981 128 Q CA 1.775 57.534 55.803 -0.073 0.000 0.856 128 Q CB -0.194 28.502 28.738 -0.071 0.000 0.902 128 Q HN 0.690 nan 8.270 nan 0.000 0.425 129 R N 0.223 120.681 120.500 -0.070 0.000 2.062 129 R HA -0.057 4.283 4.340 0.000 0.000 0.229 129 R C 1.970 178.240 176.300 -0.050 0.000 1.128 129 R CA 0.953 57.020 56.100 -0.055 0.000 0.960 129 R CB 0.005 30.267 30.300 -0.064 0.000 0.855 129 R HN 0.196 nan 8.270 nan 0.000 0.432 130 I N 1.665 122.194 120.570 -0.069 0.000 3.226 130 I HA -0.056 4.114 4.170 0.000 0.000 0.277 130 I C 1.642 177.753 176.117 -0.011 0.000 1.243 130 I CA 0.772 61.996 61.300 -0.127 0.000 1.459 130 I CB 0.067 37.936 38.000 -0.218 0.000 1.093 130 I HN 0.353 nan 8.210 nan 0.000 0.453 131 I N -2.829 117.804 120.570 0.106 0.000 4.018 131 I HA 0.300 4.470 4.170 0.000 0.000 0.337 131 I C 1.935 178.123 176.117 0.119 0.000 1.327 131 I CA 0.258 61.689 61.300 0.219 0.000 1.100 131 I CB -0.120 38.007 38.000 0.211 0.000 1.025 131 I HN -0.092 nan 8.210 nan 0.000 0.396 132 A N 0.917 123.777 122.820 0.066 0.000 2.119 132 A HA -0.039 4.282 4.320 0.000 0.000 0.217 132 A C 2.138 179.772 177.584 0.084 0.000 1.153 132 A CA 0.785 52.852 52.037 0.051 0.000 0.692 132 A CB -0.339 18.673 19.000 0.020 0.000 0.799 132 A HN 0.468 nan 8.150 nan 0.000 0.458 133 Q N -0.290 119.574 119.800 0.107 0.000 2.291 133 Q HA -0.071 4.270 4.340 0.000 0.000 0.205 133 Q C 2.054 178.203 176.000 0.248 0.000 0.970 133 Q CA 1.258 57.159 55.803 0.164 0.000 0.876 133 Q CB -0.439 28.342 28.738 0.071 0.000 0.935 133 Q HN 0.524 nan 8.270 nan 0.000 0.455 134 V N 0.680 120.706 119.914 0.186 0.000 2.649 134 V HA -0.183 3.937 4.120 0.000 0.000 0.248 134 V C 1.798 177.973 176.094 0.135 0.000 1.054 134 V CA 1.274 63.670 62.300 0.161 0.000 1.073 134 V CB -0.316 31.570 31.823 0.104 0.000 0.699 134 V HN 0.379 nan 8.190 nan 0.000 0.463 135 Q N -0.085 119.768 119.800 0.089 0.000 2.444 135 Q HA 0.145 4.485 4.340 0.000 0.000 0.206 135 Q C 1.711 177.704 176.000 -0.013 0.000 0.948 135 Q CA 0.650 56.473 55.803 0.033 0.000 0.946 135 Q CB 0.011 28.757 28.738 0.014 0.000 1.027 135 Q HN 0.548 nan 8.270 nan 0.000 0.513 136 L N -0.279 120.920 121.223 -0.040 0.000 2.554 136 L HA 0.161 4.501 4.340 0.000 0.000 0.225 136 L C 0.374 176.924 176.870 -0.534 0.000 1.104 136 L CA 0.093 54.736 54.840 -0.328 0.000 0.866 136 L CB 0.104 41.862 42.059 -0.501 0.000 1.047 136 L HN 0.261 nan 8.230 nan 0.000 0.468 137 H N -0.432 118.644 119.070 0.010 0.000 2.589 137 H HA 0.300 4.857 4.556 0.000 0.000 0.351 137 H C -0.229 175.104 175.328 0.009 0.000 1.074 137 H CA -0.440 55.616 56.048 0.013 0.000 1.203 137 H CB 1.730 31.505 29.762 0.022 0.000 1.558 137 H HN 0.017 nan 8.280 nan 0.000 0.522 138 N N 0.609 119.370 118.700 0.101 0.000 2.414 138 N HA -0.088 4.652 4.740 0.000 0.000 0.177 138 N C -0.156 175.391 175.510 0.062 0.000 1.062 138 N CA -0.025 53.060 53.050 0.059 0.000 0.890 138 N CB 0.617 39.121 38.487 0.028 0.000 1.070 138 N HN 0.486 nan 8.380 nan 0.000 0.454 139 D N 1.185 121.634 120.400 0.081 0.000 2.401 139 D HA -0.043 4.597 4.640 0.000 0.000 0.254 139 D C 1.159 177.504 176.300 0.075 0.000 1.192 139 D CA 0.415 54.458 54.000 0.071 0.000 0.885 139 D CB 1.299 42.143 40.800 0.074 0.000 1.147 139 D HN 0.057 nan 8.370 nan 0.000 0.478 140 T N 1.603 116.194 114.554 0.063 0.000 3.098 140 T HA -0.008 4.342 4.350 0.000 0.000 0.266 140 T C 1.246 176.005 174.700 0.098 0.000 1.145 140 T CA 1.261 63.399 62.100 0.063 0.000 1.092 140 T CB 0.057 68.957 68.868 0.052 0.000 0.908 140 T HN 0.355 nan 8.240 nan 0.000 0.526 141 A N -0.458 122.415 122.820 0.088 0.000 2.288 141 A HA 0.467 4.787 4.320 0.000 0.000 0.216 141 A C 2.416 180.027 177.584 0.046 0.000 1.199 141 A CA 0.522 52.609 52.037 0.085 0.000 0.891 141 A CB -0.132 18.911 19.000 0.071 0.000 0.923 141 A HN 0.464 nan 8.150 nan 0.000 0.500 142 S N -0.025 115.694 115.700 0.033 0.000 2.436 142 S HA -0.008 4.462 4.470 0.000 0.000 0.228 142 S C 1.820 176.314 174.600 -0.176 0.000 1.014 142 S CA 0.626 58.816 58.200 -0.016 0.000 0.950 142 S CB -0.225 63.028 63.200 0.088 0.000 0.784 142 S HN 0.517 nan 8.310 nan 0.000 0.504 143 L N 1.946 123.112 121.223 -0.096 0.000 1.961 143 L HA -0.023 4.317 4.340 0.000 0.000 0.210 143 L C 1.907 178.779 176.870 0.004 0.000 1.072 143 L CA 1.890 56.668 54.840 -0.102 0.000 0.749 143 L CB -1.201 40.876 42.059 0.029 0.000 0.889 143 L HN 0.341 nan 8.230 nan 0.000 0.432 144 L N -0.732 120.568 121.223 0.128 0.000 2.187 144 L HA -0.208 4.132 4.340 0.000 0.000 0.213 144 L C 2.680 179.649 176.870 0.165 0.000 1.100 144 L CA 1.293 56.294 54.840 0.267 0.000 0.765 144 L CB -0.503 41.701 42.059 0.243 0.000 0.904 144 L HN 0.352 nan 8.230 nan 0.000 0.437 145 S N -0.210 115.514 115.700 0.041 0.000 2.387 145 S HA -0.069 4.401 4.470 0.000 0.000 0.221 145 S C 1.653 176.214 174.600 -0.064 0.000 1.041 145 S CA 0.813 59.013 58.200 -0.001 0.000 0.959 145 S CB 0.019 63.216 63.200 -0.005 0.000 0.843 145 S HN 0.378 nan 8.310 nan 0.000 0.488 146 N N 0.973 119.584 118.700 -0.147 0.000 2.104 146 N HA -0.120 4.620 4.740 0.000 0.000 0.190 146 N C 1.724 177.134 175.510 -0.167 0.000 1.024 146 N CA 1.704 54.640 53.050 -0.190 0.000 0.853 146 N CB -0.236 37.991 38.487 -0.433 0.000 1.008 146 N HN 0.443 nan 8.380 nan 0.000 0.424 147 V N -2.564 117.230 119.914 -0.200 0.000 2.591 147 V HA -0.058 4.062 4.120 0.000 0.000 0.249 147 V C 1.937 177.822 176.094 -0.349 0.000 1.053 147 V CA 1.716 63.838 62.300 -0.297 0.000 1.068 147 V CB -0.945 30.642 31.823 -0.393 0.000 0.689 147 V HN 0.150 nan 8.190 nan 0.000 0.462 148 T N 0.896 115.302 114.554 -0.247 0.000 2.652 148 T HA -0.210 4.141 4.350 0.000 0.000 0.267 148 T C 1.666 176.287 174.700 -0.131 0.000 1.039 148 T CA 2.315 64.318 62.100 -0.163 0.000 1.153 148 T CB -0.589 68.264 68.868 -0.026 0.000 0.863 148 T HN 0.666 nan 8.240 nan 0.000 0.428 149 D N 0.193 120.535 120.400 -0.096 0.000 2.263 149 D HA -0.097 4.543 4.640 0.000 0.000 0.208 149 D C 2.144 178.395 176.300 -0.082 0.000 0.971 149 D CA 1.000 54.959 54.000 -0.068 0.000 0.867 149 D CB -0.034 40.738 40.800 -0.046 0.000 0.929 149 D HN 0.459 nan 8.370 nan 0.000 0.492 150 E N 0.790 120.914 120.200 -0.126 0.000 2.140 150 E HA -0.024 4.327 4.350 0.000 0.000 0.191 150 E C 2.272 178.783 176.600 -0.147 0.000 0.973 150 E CA 0.243 56.568 56.400 -0.125 0.000 0.829 150 E CB -0.195 29.420 29.700 -0.142 0.000 0.781 150 E HN 0.147 nan 8.360 nan 0.000 0.466 151 L N 0.610 121.695 121.223 -0.231 0.000 1.989 151 L HA -0.150 4.190 4.340 0.000 0.000 0.211 151 L C 2.863 179.681 176.870 -0.087 0.000 1.071 151 L CA 1.747 56.439 54.840 -0.247 0.000 0.749 151 L CB -0.571 41.253 42.059 -0.393 0.000 0.890 151 L HN 0.150 nan 8.230 nan 0.000 0.431 152 R N 0.195 120.662 120.500 -0.056 0.000 2.170 152 R HA -0.197 4.144 4.340 0.000 0.000 0.242 152 R C 2.419 178.729 176.300 0.017 0.000 1.145 152 R CA 1.455 57.569 56.100 0.022 0.000 0.984 152 R CB -0.068 30.236 30.300 0.008 0.000 0.869 152 R HN 0.353 nan 8.270 nan 0.000 0.455 153 R N -0.419 120.072 120.500 -0.015 0.000 2.057 153 R HA -0.049 4.291 4.340 0.000 0.000 0.229 153 R C 2.431 178.731 176.300 -0.001 0.000 1.136 153 R CA 1.867 57.960 56.100 -0.011 0.000 0.952 153 R CB -0.206 30.079 30.300 -0.025 0.000 0.848 153 R HN 0.219 nan 8.270 nan 0.000 0.430 154 M N -0.302 119.299 119.600 0.003 0.000 2.066 154 M HA -0.147 4.333 4.480 0.000 0.000 0.259 154 M C 2.513 178.842 176.300 0.049 0.000 1.074 154 M CA 2.361 57.678 55.300 0.029 0.000 1.114 154 M CB -0.468 32.172 32.600 0.068 0.000 1.306 154 M HN 0.272 nan 8.290 nan 0.000 0.411 155 T N -2.887 111.722 114.554 0.091 0.000 3.014 155 T HA 0.197 4.547 4.350 0.000 0.000 0.263 155 T C 1.456 176.143 174.700 -0.022 0.000 1.078 155 T CA 0.805 62.959 62.100 0.090 0.000 1.135 155 T CB -0.333 68.690 68.868 0.258 0.000 0.895 155 T HN 0.669 nan 8.240 nan 0.000 0.480 156 G N 0.522 109.338 108.800 0.028 0.000 2.171 156 G HA2 -0.228 3.732 3.960 0.000 0.000 0.238 156 G HA3 -0.228 3.732 3.960 0.000 0.000 0.238 156 G C -0.144 174.784 174.900 0.046 0.000 1.039 156 G CA -0.102 45.005 45.100 0.012 0.000 0.759 156 G HN 0.649 nan 8.290 nan 0.000 0.501 157 Y N 0.293 120.661 120.300 0.114 0.000 2.457 157 Y HA 0.217 4.767 4.550 0.000 0.000 0.341 157 Y C 1.745 177.703 175.900 0.098 0.000 1.240 157 Y CA 0.415 58.644 58.100 0.215 0.000 1.437 157 Y CB 0.576 39.114 38.460 0.130 0.000 1.328 157 Y HN 0.130 nan 8.280 nan 0.000 0.588 158 D N 0.953 121.461 120.400 0.179 0.000 2.348 158 D HA -0.062 4.578 4.640 0.000 0.000 0.216 158 D C 0.457 176.784 176.300 0.045 0.000 0.970 158 D CA 1.157 55.137 54.000 -0.034 0.000 0.889 158 D CB 0.247 40.904 40.800 -0.239 0.000 0.912 158 D HN 0.437 nan 8.370 nan 0.000 0.524 159 R N -0.260 120.311 120.500 0.117 0.000 2.644 159 R HA 0.326 4.666 4.340 0.000 0.000 0.257 159 R C -2.232 174.067 176.300 -0.002 0.000 1.082 159 R CA -0.597 55.530 56.100 0.044 0.000 0.927 159 R CB 1.543 31.860 30.300 0.029 0.000 1.258 159 R HN -0.137 nan 8.270 nan 0.000 0.459 160 V N 4.839 124.721 119.914 -0.053 0.000 2.569 160 V HA 0.614 4.734 4.120 0.000 0.000 0.301 160 V C -1.165 174.859 176.094 -0.116 0.000 1.044 160 V CA -0.633 61.591 62.300 -0.125 0.000 0.874 160 V CB 1.882 33.630 31.823 -0.126 0.000 1.002 160 V HN 0.874 nan 8.190 nan 0.000 0.424 161 M N 5.548 125.039 119.600 -0.182 0.000 2.598 161 M HA 0.861 5.341 4.480 0.000 0.000 0.317 161 M C -0.191 175.976 176.300 -0.222 0.000 1.179 161 M CA -0.671 54.541 55.300 -0.146 0.000 0.936 161 M CB 2.276 34.818 32.600 -0.096 0.000 1.713 161 M HN 0.807 nan 8.290 nan 0.000 0.460 162 A N 2.320 125.083 122.820 -0.095 0.000 2.287 162 A HA 0.693 5.013 4.320 0.000 0.000 0.317 162 A C -1.540 175.960 177.584 -0.140 0.000 1.220 162 A CA -0.514 51.448 52.037 -0.126 0.000 0.835 162 A CB 0.260 19.343 19.000 0.139 0.000 1.180 162 A HN 0.825 nan 8.150 nan 0.000 0.500 163 Y N 1.536 121.713 120.300 -0.205 0.000 2.334 163 Y HA 0.526 5.076 4.550 0.000 0.000 0.328 163 Y C 0.915 176.536 175.900 -0.465 0.000 1.130 163 Y CA -0.778 57.108 58.100 -0.357 0.000 1.163 163 Y CB 1.328 39.524 38.460 -0.440 0.000 1.207 163 Y HN 0.619 nan 8.280 nan 0.000 0.471 164 R N 2.005 122.248 120.500 -0.429 0.000 2.540 164 R HA 0.443 4.783 4.340 0.000 0.000 0.287 164 R C -1.705 174.146 176.300 -0.747 0.000 0.980 164 R CA -0.774 54.937 56.100 -0.649 0.000 0.966 164 R CB 1.139 31.061 30.300 -0.631 0.000 1.106 164 R HN 0.524 nan 8.270 nan 0.000 0.480 165 F N 2.467 122.089 119.950 -0.546 0.000 2.402 165 F HA 0.400 4.927 4.527 0.000 0.000 0.355 165 F C 0.844 176.446 175.800 -0.331 0.000 1.123 165 F CA -0.773 57.009 58.000 -0.364 0.000 1.021 165 F CB 0.960 39.812 39.000 -0.248 0.000 1.160 165 F HN 0.186 nan 8.300 nan 0.000 0.451 166 R N 0.620 121.060 120.500 -0.101 0.000 2.828 166 R HA 0.040 4.381 4.340 0.000 0.000 0.270 166 R C 1.371 177.699 176.300 0.045 0.000 1.244 166 R CA -0.275 55.796 56.100 -0.048 0.000 1.143 166 R CB -0.155 30.125 30.300 -0.034 0.000 1.128 166 R HN 0.705 nan 8.270 nan 0.000 0.587 167 H N 1.043 120.103 119.070 -0.016 0.000 2.387 167 H HA -0.103 4.453 4.556 0.000 0.000 0.299 167 H C 0.657 175.993 175.328 0.014 0.000 1.090 167 H CA 2.246 58.298 56.048 0.006 0.000 1.332 167 H CB 0.044 29.811 29.762 0.009 0.000 1.386 167 H HN 0.530 nan 8.280 nan 0.000 0.516 168 D N -0.594 119.822 120.400 0.027 0.000 2.325 168 D HA -0.051 4.589 4.640 0.000 0.000 0.234 168 D C -0.107 176.196 176.300 0.006 0.000 1.122 168 D CA 0.367 54.355 54.000 -0.019 0.000 0.850 168 D CB -0.365 40.444 40.800 0.014 0.000 0.921 168 D HN 0.321 nan 8.370 nan 0.000 0.513 169 D N 0.687 121.100 120.400 0.022 0.000 2.860 169 D HA -0.188 4.453 4.640 0.000 0.000 0.229 169 D C 0.065 176.485 176.300 0.200 0.000 1.169 169 D CA 1.142 55.209 54.000 0.112 0.000 0.737 169 D CB -1.280 39.529 40.800 0.015 0.000 1.080 169 D HN 0.553 nan 8.370 nan 0.000 0.424 170 S N -1.053 114.711 115.700 0.107 0.000 2.624 170 S HA 0.597 5.068 4.470 0.000 0.000 0.263 170 S C 0.619 175.078 174.600 -0.235 0.000 1.287 170 S CA 0.121 58.334 58.200 0.021 0.000 0.990 170 S CB 2.479 65.743 63.200 0.107 0.000 0.950 170 S HN 0.292 nan 8.310 nan 0.000 0.561 171 G N -0.730 107.586 108.800 -0.806 0.000 2.605 171 G HA2 0.593 4.553 3.960 0.000 0.000 0.296 171 G HA3 0.593 4.553 3.960 0.000 0.000 0.296 171 G C -1.637 172.485 174.900 -1.298 0.000 1.304 171 G CA -0.786 43.497 45.100 -1.361 0.000 0.941 171 G HN 0.885 nan 8.290 nan 0.000 0.475 172 E N -0.304 119.330 120.200 -0.943 0.000 2.356 172 E HA 0.453 4.803 4.350 0.000 0.000 0.275 172 E C -1.247 175.129 176.600 -0.373 0.000 0.904 172 E CA -0.742 55.284 56.400 -0.623 0.000 0.757 172 E CB 2.603 32.042 29.700 -0.435 0.000 1.232 172 E HN 0.231 nan 8.360 nan 0.000 0.442 173 V N 4.730 124.526 119.914 -0.198 0.000 2.313 173 V HA 0.059 4.179 4.120 0.000 0.000 0.252 173 V C 1.049 177.135 176.094 -0.013 0.000 1.112 173 V CA -0.153 62.156 62.300 0.015 0.000 0.984 173 V CB 0.199 32.080 31.823 0.097 0.000 1.157 173 V HN 0.592 nan 8.190 nan 0.000 0.493 174 V N 1.353 121.245 119.914 -0.036 0.000 3.577 174 V HA 0.772 4.892 4.120 0.000 0.000 0.294 174 V C 0.618 176.716 176.094 0.006 0.000 1.317 174 V CA 0.606 62.883 62.300 -0.039 0.000 1.169 174 V CB -0.603 31.177 31.823 -0.072 0.000 1.011 174 V HN 0.870 nan 8.190 nan 0.000 0.426 175 A N -0.445 122.392 122.820 0.029 0.000 2.583 175 A HA 0.764 5.084 4.320 0.000 0.000 0.292 175 A C -0.951 176.657 177.584 0.039 0.000 1.045 175 A CA -0.372 51.688 52.037 0.038 0.000 0.672 175 A CB 1.534 20.565 19.000 0.051 0.000 1.283 175 A HN 0.401 nan 8.150 nan 0.000 0.419 176 E N -0.227 119.991 120.200 0.030 0.000 2.388 176 E HA 0.611 4.962 4.350 0.000 0.000 0.280 176 E C -1.662 174.941 176.600 0.005 0.000 1.019 176 E CA -0.129 56.282 56.400 0.020 0.000 0.806 176 E CB 1.969 31.694 29.700 0.041 0.000 1.246 176 E HN 1.225 nan 8.360 nan 0.000 0.443 177 S N 2.547 118.242 115.700 -0.009 0.000 2.572 177 S HA 0.691 5.162 4.470 0.000 0.000 0.274 177 S C -1.554 173.039 174.600 -0.011 0.000 1.150 177 S CA -0.710 57.484 58.200 -0.011 0.000 0.944 177 S CB 1.018 64.206 63.200 -0.020 0.000 1.071 177 S HN 0.615 nan 8.310 nan 0.000 0.479 178 R N 2.690 123.182 120.500 -0.013 0.000 2.710 178 R HA 0.499 4.840 4.340 0.000 0.000 0.270 178 R C -1.217 175.069 176.300 -0.023 0.000 1.021 178 R CA -1.094 54.996 56.100 -0.017 0.000 0.889 178 R CB 1.086 31.366 30.300 -0.034 0.000 1.243 178 R HN 0.646 nan 8.270 nan 0.000 0.464 179 R N 1.404 121.888 120.500 -0.026 0.000 2.449 179 R HA 0.009 4.349 4.340 0.000 0.000 0.296 179 R C 0.328 176.602 176.300 -0.043 0.000 1.047 179 R CA 0.373 56.453 56.100 -0.034 0.000 1.018 179 R CB 0.619 30.893 30.300 -0.044 0.000 0.962 179 R HN 0.808 nan 8.270 nan 0.000 0.428 180 E N 2.229 122.407 120.200 -0.037 0.000 2.208 180 E HA -0.277 4.074 4.350 0.000 0.000 0.202 180 E C 0.661 177.228 176.600 -0.054 0.000 1.014 180 E CA 1.772 58.148 56.400 -0.040 0.000 0.819 180 E CB 0.112 29.796 29.700 -0.028 0.000 0.735 180 E HN 0.660 nan 8.360 nan 0.000 0.469 181 D N 0.101 120.470 120.400 -0.053 0.000 2.224 181 D HA -0.045 4.595 4.640 0.000 0.000 0.205 181 D C 0.471 176.723 176.300 -0.081 0.000 0.965 181 D CA 0.584 54.549 54.000 -0.058 0.000 0.852 181 D CB -0.010 40.762 40.800 -0.046 0.000 0.947 181 D HN 0.174 nan 8.370 nan 0.000 0.494 182 L N 2.482 123.651 121.223 -0.089 0.000 2.360 182 L HA 0.135 4.475 4.340 0.000 0.000 0.276 182 L C 0.980 177.724 176.870 -0.210 0.000 1.121 182 L CA -0.612 54.159 54.840 -0.115 0.000 0.845 182 L CB 0.242 42.258 42.059 -0.073 0.000 1.143 182 L HN 0.036 nan 8.230 nan 0.000 0.452 183 E N 2.192 122.222 120.200 -0.284 0.000 2.436 183 E HA 0.053 4.403 4.350 0.000 0.000 0.262 183 E C -0.416 175.771 176.600 -0.688 0.000 1.063 183 E CA -0.419 55.702 56.400 -0.465 0.000 0.944 183 E CB 0.911 30.328 29.700 -0.473 0.000 0.950 183 E HN 0.470 nan 8.360 nan 0.000 0.444 184 S N 1.747 116.938 115.700 -0.849 0.000 2.508 184 S HA 0.240 4.710 4.470 0.000 0.000 0.284 184 S C -0.799 173.223 174.600 -0.963 0.000 1.192 184 S CA -0.685 57.036 58.200 -0.798 0.000 1.070 184 S CB 0.296 63.093 63.200 -0.672 0.000 1.004 184 S HN 0.533 nan 8.310 nan 0.000 0.493 185 Y N 3.322 123.460 120.300 -0.270 0.000 2.658 185 Y HA 0.367 4.917 4.550 0.000 0.000 0.276 185 Y C 0.563 176.467 175.900 0.007 0.000 1.167 185 Y CA -0.442 57.566 58.100 -0.153 0.000 1.230 185 Y CB 0.015 38.431 38.460 -0.074 0.000 1.144 185 Y HN 0.479 nan 8.280 nan 0.000 0.529 186 L N 0.722 122.062 121.223 0.195 0.000 2.490 186 L HA 0.240 4.580 4.340 0.000 0.000 0.274 186 L C 1.114 178.176 176.870 0.320 0.000 1.201 186 L CA 0.521 55.533 54.840 0.288 0.000 0.869 186 L CB 0.371 42.652 42.059 0.371 0.000 1.123 186 L HN 0.618 nan 8.230 nan 0.000 0.484 187 G N 3.515 112.383 108.800 0.112 0.000 2.359 187 G HA2 -0.253 3.707 3.960 0.000 0.000 0.298 187 G HA3 -0.253 3.707 3.960 0.000 0.000 0.298 187 G C -0.183 174.737 174.900 0.033 0.000 1.030 187 G CA 0.056 45.156 45.100 -0.001 0.000 1.149 187 G HN 0.656 nan 8.290 nan 0.000 0.512 188 Q N -0.519 119.255 119.800 -0.044 0.000 2.342 188 Q HA 0.527 4.867 4.340 0.000 0.000 0.267 188 Q C -0.154 175.589 176.000 -0.427 0.000 1.038 188 Q CA -0.863 54.839 55.803 -0.167 0.000 0.832 188 Q CB 1.191 29.917 28.738 -0.020 0.000 1.323 188 Q HN 0.334 nan 8.270 nan 0.000 0.448 189 R N 2.782 122.853 120.500 -0.716 0.000 2.445 189 R HA 0.425 4.765 4.340 0.000 0.000 0.308 189 R C -0.972 175.002 176.300 -0.544 0.000 0.961 189 R CA -0.434 55.080 56.100 -0.976 0.000 0.862 189 R CB 0.861 29.998 30.300 -1.938 0.000 1.144 189 R HN 0.563 nan 8.270 nan 0.000 0.447 190 Y N 0.071 120.127 120.300 -0.405 0.000 2.545 190 Y HA 0.713 5.263 4.550 0.000 0.000 0.348 190 Y C -2.686 173.237 175.900 0.037 0.000 1.002 190 Y CA -3.173 54.859 58.100 -0.113 0.000 1.039 190 Y CB 1.147 39.520 38.460 -0.144 0.000 1.271 190 Y HN 0.367 nan 8.280 nan 0.000 0.467 191 P HA 0.244 nan 4.420 nan 0.000 0.289 191 P C 0.092 177.550 177.300 0.264 0.000 1.299 191 P CA -0.010 63.277 63.100 0.311 0.000 0.766 191 P CB 0.774 32.618 31.700 0.240 0.000 1.226 192 A N -0.276 122.651 122.820 0.179 0.000 2.208 192 A HA -0.037 4.283 4.320 0.000 0.000 0.209 192 A C 1.856 179.511 177.584 0.117 0.000 1.161 192 A CA 1.366 53.491 52.037 0.146 0.000 0.782 192 A CB -1.490 17.558 19.000 0.080 0.000 0.816 192 A HN 0.532 nan 8.150 nan 0.000 0.477 193 S N -0.620 115.151 115.700 0.117 0.000 2.496 193 S HA -0.049 4.422 4.470 0.000 0.000 0.224 193 S C 0.911 175.566 174.600 0.091 0.000 0.996 193 S CA 0.932 59.186 58.200 0.089 0.000 0.927 193 S CB -0.278 62.971 63.200 0.082 0.000 0.774 193 S HN 0.356 nan 8.310 nan 0.000 0.524 194 D N 1.328 121.798 120.400 0.117 0.000 2.371 194 D HA 0.235 4.875 4.640 0.000 0.000 0.221 194 D C -0.038 176.244 176.300 -0.030 0.000 0.986 194 D CA 0.656 54.676 54.000 0.034 0.000 0.899 194 D CB 0.005 40.795 40.800 -0.016 0.000 0.902 194 D HN 0.489 nan 8.370 nan 0.000 0.530 195 I N 0.719 121.315 120.570 0.043 0.000 2.576 195 I HA 0.212 4.382 4.170 0.000 0.000 0.279 195 I C -2.519 173.616 176.117 0.030 0.000 1.114 195 I CA -1.858 59.460 61.300 0.031 0.000 1.076 195 I CB 2.298 40.336 38.000 0.062 0.000 1.212 195 I HN -0.334 nan 8.210 nan 0.000 0.472 196 P HA 0.161 nan 4.420 nan 0.000 0.272 196 P C 0.900 178.193 177.300 -0.013 0.000 1.240 196 P CA -0.102 63.003 63.100 0.008 0.000 0.791 196 P CB 0.944 32.650 31.700 0.009 0.000 0.978 197 A N 1.065 123.873 122.820 -0.020 0.000 1.909 197 A HA -0.332 3.988 4.320 0.000 0.000 0.221 197 A C 2.239 179.785 177.584 -0.062 0.000 1.223 197 A CA 2.559 54.572 52.037 -0.039 0.000 0.658 197 A CB -1.596 17.383 19.000 -0.036 0.000 0.831 197 A HN 0.596 nan 8.150 nan 0.000 0.462 198 Q N -1.010 118.747 119.800 -0.071 0.000 2.083 198 Q HA 0.126 4.466 4.340 0.000 0.000 0.198 198 Q C 2.123 178.052 176.000 -0.118 0.000 0.969 198 Q CA 1.887 57.622 55.803 -0.112 0.000 0.838 198 Q CB -0.550 28.116 28.738 -0.119 0.000 0.900 198 Q HN 0.593 nan 8.270 nan 0.000 0.436 199 A N 0.341 123.105 122.820 -0.093 0.000 1.972 199 A HA -0.195 4.126 4.320 0.000 0.000 0.219 199 A C 2.093 179.633 177.584 -0.073 0.000 1.169 199 A CA 1.609 53.566 52.037 -0.135 0.000 0.635 199 A CB -0.529 18.426 19.000 -0.075 0.000 0.810 199 A HN 0.364 nan 8.150 nan 0.000 0.446 200 R N -1.124 119.369 120.500 -0.012 0.000 2.093 200 R HA -0.089 4.251 4.340 0.000 0.000 0.224 200 R C 2.334 178.604 176.300 -0.050 0.000 1.101 200 R CA 1.198 57.301 56.100 0.006 0.000 0.979 200 R CB -0.178 30.083 30.300 -0.065 0.000 0.877 200 R HN 0.327 nan 8.270 nan 0.000 0.441 201 R N 0.876 121.321 120.500 -0.091 0.000 2.105 201 R HA -0.067 4.273 4.340 0.000 0.000 0.239 201 R C 1.940 178.153 176.300 -0.145 0.000 1.135 201 R CA 1.544 57.580 56.100 -0.107 0.000 0.967 201 R CB -0.620 29.611 30.300 -0.115 0.000 0.861 201 R HN 0.313 nan 8.270 nan 0.000 0.442 202 L N -1.524 119.576 121.223 -0.204 0.000 2.209 202 L HA -0.045 4.295 4.340 0.000 0.000 0.207 202 L C 1.851 178.537 176.870 -0.307 0.000 1.094 202 L CA 0.811 55.468 54.840 -0.306 0.000 0.790 202 L CB -0.371 41.464 42.059 -0.374 0.000 0.932 202 L HN 0.189 nan 8.230 nan 0.000 0.447 203 Y N -0.098 120.099 120.300 -0.173 0.000 2.352 203 Y HA -0.194 4.356 4.550 0.000 0.000 0.292 203 Y C 2.371 178.181 175.900 -0.150 0.000 1.136 203 Y CA 0.884 58.891 58.100 -0.155 0.000 1.227 203 Y CB -0.079 38.292 38.460 -0.149 0.000 0.991 203 Y HN 0.121 nan 8.280 nan 0.000 0.545 204 I N -0.763 119.797 120.570 -0.017 0.000 2.406 204 I HA -0.214 3.956 4.170 0.000 0.000 0.249 204 I C 1.933 177.996 176.117 -0.091 0.000 1.122 204 I CA 0.820 62.089 61.300 -0.051 0.000 1.431 204 I CB -0.186 37.778 38.000 -0.061 0.000 1.087 204 I HN 0.200 nan 8.210 nan 0.000 0.424 205 Q N 0.148 119.849 119.800 -0.165 0.000 2.302 205 Q HA 0.114 4.454 4.340 0.000 0.000 0.202 205 Q C 0.117 175.905 176.000 -0.353 0.000 0.936 205 Q CA 0.670 56.317 55.803 -0.260 0.000 0.886 205 Q CB 0.047 28.553 28.738 -0.385 0.000 0.986 205 Q HN 0.358 nan 8.270 nan 0.000 0.487 206 N N 0.738 119.256 118.700 -0.305 0.000 2.569 206 N HA 0.190 4.930 4.740 0.000 0.000 0.254 206 N C -2.053 173.396 175.510 -0.103 0.000 1.004 206 N CA -1.602 51.288 53.050 -0.266 0.000 0.904 206 N CB 1.856 40.138 38.487 -0.341 0.000 1.165 206 N HN -0.184 nan 8.380 nan 0.000 0.513 207 P HA -0.150 nan 4.420 nan 0.000 0.216 207 P C 0.020 177.360 177.300 0.066 0.000 1.167 207 P CA 1.499 64.615 63.100 0.027 0.000 0.933 207 P CB 0.422 32.147 31.700 0.042 0.000 0.793 208 I N -1.648 118.951 120.570 0.048 0.000 2.404 208 I HA 0.391 4.562 4.170 0.000 0.000 0.293 208 I C 0.395 176.533 176.117 0.035 0.000 0.992 208 I CA -0.982 60.364 61.300 0.077 0.000 1.149 208 I CB 1.855 39.923 38.000 0.114 0.000 1.315 208 I HN -0.243 nan 8.210 nan 0.000 0.446 209 R N 6.753 127.287 120.500 0.056 0.000 2.476 209 R HA 0.583 4.923 4.340 0.000 0.000 0.305 209 R C -2.052 174.273 176.300 0.041 0.000 0.965 209 R CA -0.378 55.731 56.100 0.015 0.000 0.867 209 R CB 1.235 31.523 30.300 -0.020 0.000 1.176 209 R HN 0.682 nan 8.270 nan 0.000 0.447 210 L N 6.475 127.720 121.223 0.037 0.000 2.325 210 L HA 0.586 4.926 4.340 0.000 0.000 0.281 210 L C -1.041 175.843 176.870 0.024 0.000 1.004 210 L CA -0.808 54.056 54.840 0.040 0.000 0.823 210 L CB 1.198 43.282 42.059 0.043 0.000 1.236 210 L HN 0.723 nan 8.230 nan 0.000 0.415 211 I N 4.536 125.107 120.570 0.002 0.000 2.355 211 I HA 0.310 4.481 4.170 0.000 0.000 0.288 211 I C 0.789 176.878 176.117 -0.046 0.000 0.999 211 I CA -0.198 61.076 61.300 -0.042 0.000 1.163 211 I CB 1.966 39.938 38.000 -0.045 0.000 1.316 211 I HN 0.716 nan 8.210 nan 0.000 0.454 212 A N 4.245 127.017 122.820 -0.080 0.000 2.044 212 A HA 0.073 4.394 4.320 0.000 0.000 0.213 212 A C 0.567 178.131 177.584 -0.033 0.000 1.169 212 A CA 0.814 52.793 52.037 -0.096 0.000 0.724 212 A CB 0.138 19.011 19.000 -0.212 0.000 0.840 212 A HN 0.716 nan 8.150 nan 0.000 0.463 213 D N -1.210 119.170 120.400 -0.033 0.000 2.891 213 D HA 0.299 4.940 4.640 0.000 0.000 0.224 213 D C 0.426 176.739 176.300 0.023 0.000 1.321 213 D CA -0.264 53.752 54.000 0.026 0.000 0.929 213 D CB 2.021 42.876 40.800 0.092 0.000 1.551 213 D HN -0.138 nan 8.370 nan 0.000 0.574 214 V N 2.623 122.571 119.914 0.057 0.000 2.283 214 V HA -0.044 4.077 4.120 0.000 0.000 0.243 214 V C 1.701 177.944 176.094 0.248 0.000 1.039 214 V CA 1.915 64.272 62.300 0.095 0.000 1.016 214 V CB -0.311 31.532 31.823 0.035 0.000 0.650 214 V HN 0.725 nan 8.190 nan 0.000 0.449 215 A N 0.619 123.544 122.820 0.174 0.000 3.077 215 A HA 0.351 4.671 4.320 0.000 0.000 0.255 215 A C 0.139 177.847 177.584 0.207 0.000 1.728 215 A CA -0.296 51.837 52.037 0.160 0.000 1.383 215 A CB -1.202 17.849 19.000 0.085 0.000 1.097 215 A HN 0.604 nan 8.150 nan 0.000 0.634 216 Y N -1.349 118.971 120.300 0.034 0.000 2.418 216 Y HA 0.791 5.341 4.550 0.000 0.000 0.327 216 Y C 0.134 176.054 175.900 0.033 0.000 1.309 216 Y CA -1.607 56.516 58.100 0.039 0.000 1.423 216 Y CB 0.323 38.814 38.460 0.052 0.000 1.423 216 Y HN 0.030 nan 8.280 nan 0.000 0.532 217 T N 3.067 117.465 114.554 -0.259 0.000 2.847 217 T HA 0.466 4.816 4.350 0.000 0.000 0.291 217 T C -2.898 171.594 174.700 -0.346 0.000 0.998 217 T CA -1.794 60.088 62.100 -0.362 0.000 0.967 217 T CB 0.500 69.291 68.868 -0.128 0.000 0.954 217 T HN 0.517 nan 8.240 nan 0.000 0.441 218 P HA 0.218 nan 4.420 nan 0.000 0.264 218 P C -0.694 176.579 177.300 -0.046 0.000 1.193 218 P CA -0.340 62.630 63.100 -0.216 0.000 0.763 218 P CB 0.323 31.912 31.700 -0.185 0.000 0.810 219 M N 4.092 123.711 119.600 0.033 0.000 2.069 219 M HA 0.209 4.689 4.480 0.000 0.000 0.349 219 M C 0.179 176.469 176.300 -0.016 0.000 1.194 219 M CA -0.070 55.248 55.300 0.030 0.000 1.081 219 M CB 0.080 32.711 32.600 0.052 0.000 1.500 219 M HN 0.149 nan 8.290 nan 0.000 0.438 220 R N 1.738 122.201 120.500 -0.060 0.000 2.543 220 R HA 0.435 4.775 4.340 0.000 0.000 0.277 220 R C -0.453 175.635 176.300 -0.353 0.000 1.074 220 R CA -0.451 55.483 56.100 -0.277 0.000 1.076 220 R CB 0.598 30.591 30.300 -0.511 0.000 0.993 220 R HN 0.596 nan 8.270 nan 0.000 0.459 221 V N 1.882 121.551 119.914 -0.407 0.000 2.370 221 V HA 0.511 4.631 4.120 0.000 0.000 0.279 221 V C -0.904 174.951 176.094 -0.398 0.000 1.029 221 V CA -0.484 61.649 62.300 -0.279 0.000 0.870 221 V CB 0.452 32.166 31.823 -0.182 0.000 0.984 221 V HN 0.464 nan 8.190 nan 0.000 0.451 222 F N 4.961 124.921 119.950 0.016 0.000 2.538 222 F HA 0.711 5.238 4.527 0.000 0.000 0.325 222 F C -2.188 173.648 175.800 0.060 0.000 1.066 222 F CA -2.698 55.333 58.000 0.050 0.000 0.946 222 F CB 2.050 41.072 39.000 0.038 0.000 1.199 222 F HN 0.348 nan 8.300 nan 0.000 0.473 223 P HA 0.041 nan 4.420 nan 0.000 0.262 223 P C 0.122 177.616 177.300 0.322 0.000 1.199 223 P CA 0.375 63.667 63.100 0.321 0.000 0.763 223 P CB 0.727 32.580 31.700 0.255 0.000 0.790 224 A N 5.486 128.456 122.820 0.249 0.000 1.986 224 A HA -0.117 4.203 4.320 0.000 0.000 0.220 224 A C 0.907 178.617 177.584 0.210 0.000 1.171 224 A CA 1.403 53.539 52.037 0.166 0.000 0.640 224 A CB -0.529 18.526 19.000 0.090 0.000 0.811 224 A HN 0.477 nan 8.150 nan 0.000 0.451 225 L N 0.466 121.783 121.223 0.157 0.000 2.305 225 L HA 0.239 4.579 4.340 0.000 0.000 0.284 225 L C -0.370 176.467 176.870 -0.054 0.000 1.013 225 L CA -0.563 54.289 54.840 0.021 0.000 0.819 225 L CB 1.045 43.110 42.059 0.009 0.000 1.227 225 L HN 0.309 nan 8.230 nan 0.000 0.417 226 N N 5.923 124.367 118.700 -0.426 0.000 2.434 226 N HA 0.049 4.789 4.740 0.000 0.000 0.268 226 N C -1.748 173.647 175.510 -0.192 0.000 1.256 226 N CA -1.125 51.605 53.050 -0.534 0.000 0.914 226 N CB 1.180 38.999 38.487 -1.113 0.000 1.088 226 N HN 0.282 nan 8.380 nan 0.000 0.478 227 P HA -0.154 nan 4.420 nan 0.000 0.216 227 P C 0.772 178.050 177.300 -0.037 0.000 1.150 227 P CA 1.199 64.290 63.100 -0.016 0.000 0.843 227 P CB 0.298 32.015 31.700 0.029 0.000 0.787 228 E N -1.445 118.725 120.200 -0.051 0.000 2.160 228 E HA -0.147 4.203 4.350 0.000 0.000 0.195 228 E C 1.829 178.394 176.600 -0.058 0.000 0.991 228 E CA 1.605 57.977 56.400 -0.046 0.000 0.810 228 E CB -0.873 28.800 29.700 -0.045 0.000 0.742 228 E HN 0.272 nan 8.360 nan 0.000 0.466 229 T N -1.581 112.920 114.554 -0.089 0.000 2.958 229 T HA 0.041 4.391 4.350 0.000 0.000 0.256 229 T C 0.493 175.149 174.700 -0.074 0.000 0.983 229 T CA 0.448 62.499 62.100 -0.081 0.000 0.924 229 T CB -0.186 68.621 68.868 -0.102 0.000 1.136 229 T HN 0.287 nan 8.240 nan 0.000 0.506 230 N N 0.814 119.465 118.700 -0.083 0.000 2.747 230 N HA -0.144 4.596 4.740 0.000 0.000 0.249 230 N C -0.950 174.519 175.510 -0.068 0.000 1.107 230 N CA 0.675 53.689 53.050 -0.061 0.000 0.707 230 N CB -0.397 38.071 38.487 -0.033 0.000 1.054 230 N HN 0.642 nan 8.380 nan 0.000 0.555 231 E N -0.339 119.793 120.200 -0.113 0.000 2.383 231 E HA 0.306 4.656 4.350 0.000 0.000 0.275 231 E C -1.043 175.457 176.600 -0.167 0.000 0.918 231 E CA -0.677 55.662 56.400 -0.102 0.000 0.764 231 E CB 1.840 31.495 29.700 -0.074 0.000 1.252 231 E HN 0.124 nan 8.360 nan 0.000 0.449 232 S N 0.832 116.470 115.700 -0.105 0.000 2.579 232 S HA 0.195 4.665 4.470 0.000 0.000 0.275 232 S C -0.488 174.061 174.600 -0.086 0.000 1.345 232 S CA -0.391 57.761 58.200 -0.081 0.000 1.031 232 S CB 0.163 63.355 63.200 -0.012 0.000 0.892 232 S HN 0.281 nan 8.310 nan 0.000 0.529 233 F N 2.493 122.472 119.950 0.048 0.000 2.541 233 F HA 0.102 4.629 4.527 0.000 0.000 0.378 233 F C 1.072 176.937 175.800 0.108 0.000 1.068 233 F CA -0.036 58.040 58.000 0.126 0.000 1.199 233 F CB 0.308 39.423 39.000 0.192 0.000 1.091 233 F HN 0.448 nan 8.300 nan 0.000 0.555 234 D N 5.408 125.998 120.400 0.318 0.000 2.359 234 D HA 0.115 4.755 4.640 0.000 0.000 0.250 234 D C 0.310 176.794 176.300 0.308 0.000 1.264 234 D CA 0.105 54.284 54.000 0.299 0.000 0.911 234 D CB 0.417 41.441 40.800 0.373 0.000 1.056 234 D HN 0.486 nan 8.370 nan 0.000 0.499 235 L N 2.476 123.784 121.223 0.142 0.000 2.783 235 L HA 0.123 4.463 4.340 0.000 0.000 0.236 235 L C 1.942 178.810 176.870 -0.003 0.000 1.225 235 L CA -0.329 54.493 54.840 -0.030 0.000 1.026 235 L CB -0.112 41.920 42.059 -0.046 0.000 1.314 235 L HN 0.143 nan 8.230 nan 0.000 0.489 236 S N -0.255 115.505 115.700 0.100 0.000 2.387 236 S HA -0.174 4.297 4.470 0.000 0.000 0.230 236 S C 1.401 175.879 174.600 -0.204 0.000 1.035 236 S CA 1.644 59.829 58.200 -0.025 0.000 1.014 236 S CB -0.227 62.956 63.200 -0.029 0.000 0.836 236 S HN 0.551 nan 8.310 nan 0.000 0.466 237 Y N 0.806 120.848 120.300 -0.430 0.000 2.485 237 Y HA 0.330 4.880 4.550 0.000 0.000 0.260 237 Y C 1.119 176.604 175.900 -0.692 0.000 1.173 237 Y CA -0.571 57.145 58.100 -0.641 0.000 1.252 237 Y CB 0.344 38.283 38.460 -0.868 0.000 1.123 237 Y HN 0.086 nan 8.280 nan 0.000 0.524 238 S N 0.136 115.715 115.700 -0.203 0.000 2.549 238 S HA 0.093 4.563 4.470 0.000 0.000 0.279 238 S C 0.997 175.546 174.600 -0.086 0.000 1.321 238 S CA -0.433 57.735 58.200 -0.053 0.000 1.054 238 S CB 0.993 64.162 63.200 -0.050 0.000 0.899 238 S HN 0.158 nan 8.310 nan 0.000 0.497 239 V N 5.977 125.877 119.914 -0.022 0.000 3.623 239 V HA 0.127 4.247 4.120 0.000 0.000 0.271 239 V C 1.036 177.147 176.094 0.029 0.000 1.248 239 V CA 0.776 63.080 62.300 0.007 0.000 1.156 239 V CB -0.718 31.151 31.823 0.075 0.000 0.870 239 V HN 0.832 nan 8.190 nan 0.000 0.453 240 L N -0.675 120.542 121.223 -0.010 0.000 2.966 240 L HA 0.326 4.666 4.340 0.000 0.000 0.262 240 L C 1.186 178.031 176.870 -0.042 0.000 1.165 240 L CA -0.169 54.641 54.840 -0.050 0.000 0.978 240 L CB 0.190 42.190 42.059 -0.098 0.000 1.337 240 L HN 0.163 nan 8.230 nan 0.000 0.563 241 R N 1.738 122.216 120.500 -0.037 0.000 2.758 241 R HA 0.050 4.390 4.340 0.000 0.000 0.263 241 R C 0.295 176.588 176.300 -0.012 0.000 1.010 241 R CA 0.329 56.412 56.100 -0.029 0.000 1.114 241 R CB 0.639 30.909 30.300 -0.049 0.000 0.985 241 R HN 0.226 nan 8.270 nan 0.000 0.439 242 S N 2.123 117.842 115.700 0.031 0.000 2.586 242 S HA 0.321 4.791 4.470 0.000 0.000 0.274 242 S C 0.056 174.707 174.600 0.086 0.000 1.281 242 S CA -1.101 57.162 58.200 0.105 0.000 1.035 242 S CB 1.664 64.981 63.200 0.195 0.000 0.962 242 S HN 0.378 nan 8.310 nan 0.000 0.512 243 V N 2.144 122.127 119.914 0.115 0.000 2.881 243 V HA 0.345 4.466 4.120 0.000 0.000 0.303 243 V C 1.029 177.215 176.094 0.153 0.000 1.070 243 V CA -0.748 61.616 62.300 0.107 0.000 1.074 243 V CB 1.238 33.132 31.823 0.118 0.000 1.012 243 V HN 1.028 nan 8.190 nan 0.000 0.482 244 S N 3.629 119.401 115.700 0.122 0.000 2.533 244 S HA 0.179 4.649 4.470 0.000 0.000 0.282 244 S C -1.325 173.360 174.600 0.142 0.000 1.304 244 S CA -0.953 57.317 58.200 0.117 0.000 1.063 244 S CB 0.818 64.076 63.200 0.096 0.000 0.881 244 S HN 0.645 nan 8.310 nan 0.000 0.493 245 P HA -0.124 nan 4.420 nan 0.000 0.220 245 P C 1.116 178.475 177.300 0.099 0.000 1.144 245 P CA 0.913 64.071 63.100 0.096 0.000 0.800 245 P CB 0.054 31.792 31.700 0.063 0.000 0.772 246 I N -1.652 118.986 120.570 0.113 0.000 2.296 246 I HA -0.154 4.016 4.170 0.000 0.000 0.242 246 I C 2.302 178.519 176.117 0.167 0.000 1.087 246 I CA 1.462 62.837 61.300 0.125 0.000 1.393 246 I CB -1.729 36.344 38.000 0.123 0.000 1.093 246 I HN 0.052 nan 8.210 nan 0.000 0.421 247 H N 0.372 119.487 119.070 0.076 0.000 2.543 247 H HA -0.117 4.439 4.556 0.000 0.000 0.286 247 H C 2.218 177.592 175.328 0.076 0.000 1.037 247 H CA 1.460 57.536 56.048 0.047 0.000 1.250 247 H CB 0.108 29.863 29.762 -0.012 0.000 1.373 247 H HN 0.265 nan 8.280 nan 0.000 0.580 248 C N -0.554 118.785 119.300 0.064 0.000 2.519 248 C HA 0.007 4.467 4.460 0.000 0.000 0.281 248 C C 2.605 177.608 174.990 0.022 0.000 1.331 248 C CA 0.738 59.777 59.018 0.035 0.000 1.725 248 C CB -0.343 27.476 27.740 0.131 0.000 2.079 248 C HN 0.745 nan 8.230 nan 0.000 0.496 249 E N -0.193 120.037 120.200 0.051 0.000 2.051 249 E HA -0.270 4.080 4.350 0.000 0.000 0.192 249 E C 1.921 178.537 176.600 0.026 0.000 0.991 249 E CA 1.455 57.875 56.400 0.034 0.000 0.799 249 E CB -0.330 29.391 29.700 0.036 0.000 0.748 249 E HN 0.693 nan 8.360 nan 0.000 0.449 250 Y N 1.169 121.416 120.300 -0.089 0.000 2.069 250 Y HA -0.272 4.278 4.550 0.000 0.000 0.278 250 Y C 2.137 177.939 175.900 -0.164 0.000 1.175 250 Y CA 1.991 60.018 58.100 -0.121 0.000 1.134 250 Y CB -0.429 37.941 38.460 -0.150 0.000 0.965 250 Y HN 0.074 nan 8.280 nan 0.000 0.498 251 L N -0.878 120.353 121.223 0.013 0.000 2.131 251 L HA -0.230 4.110 4.340 0.000 0.000 0.210 251 L C 2.295 179.145 176.870 -0.033 0.000 1.092 251 L CA 1.932 56.722 54.840 -0.083 0.000 0.759 251 L CB -0.713 41.190 42.059 -0.261 0.000 0.903 251 L HN 0.393 nan 8.230 nan 0.000 0.435 252 T N -4.233 110.310 114.554 -0.018 0.000 2.985 252 T HA -0.046 4.304 4.350 0.000 0.000 0.266 252 T C 1.638 176.331 174.700 -0.011 0.000 1.076 252 T CA 0.587 62.685 62.100 -0.004 0.000 1.135 252 T CB -0.291 68.582 68.868 0.009 0.000 0.890 252 T HN 0.155 nan 8.240 nan 0.000 0.480 253 N N 1.195 119.875 118.700 -0.034 0.000 2.289 253 N HA 0.122 4.862 4.740 0.000 0.000 0.184 253 N C 1.611 177.094 175.510 -0.046 0.000 1.016 253 N CA 0.927 53.938 53.050 -0.065 0.000 0.872 253 N CB -0.375 38.026 38.487 -0.144 0.000 0.973 253 N HN 0.471 nan 8.380 nan 0.000 0.433 254 M N -1.669 117.922 119.600 -0.015 0.000 2.476 254 M HA 0.131 4.611 4.480 0.000 0.000 0.262 254 M C 0.918 177.254 176.300 0.061 0.000 1.111 254 M CA 0.701 56.028 55.300 0.045 0.000 1.127 254 M CB 0.443 33.094 32.600 0.085 0.000 1.376 254 M HN 0.223 nan 8.290 nan 0.000 0.465 255 G N 0.630 109.451 108.800 0.034 0.000 2.138 255 G HA2 -0.154 3.806 3.960 0.000 0.000 0.193 255 G HA3 -0.154 3.806 3.960 0.000 0.000 0.193 255 G C -0.167 174.756 174.900 0.038 0.000 0.998 255 G CA -0.429 44.690 45.100 0.033 0.000 0.668 255 G HN 0.269 nan 8.290 nan 0.000 0.516 256 V N 0.171 120.102 119.914 0.028 0.000 2.532 256 V HA 0.639 4.759 4.120 0.000 0.000 0.295 256 V C 1.305 177.403 176.094 0.006 0.000 1.041 256 V CA -0.350 61.961 62.300 0.018 0.000 0.926 256 V CB 1.677 33.478 31.823 -0.037 0.000 0.992 256 V HN 0.310 nan 8.190 nan 0.000 0.457 257 R N 1.582 122.106 120.500 0.040 0.000 2.435 257 R HA 0.559 4.899 4.340 0.000 0.000 0.221 257 R C 0.165 176.498 176.300 0.055 0.000 0.885 257 R CA 0.478 56.609 56.100 0.051 0.000 1.018 257 R CB 1.247 31.591 30.300 0.073 0.000 1.259 257 R HN 0.781 nan 8.270 nan 0.000 0.597 258 A N 0.207 123.081 122.820 0.090 0.000 2.515 258 A HA 0.691 5.011 4.320 0.000 0.000 0.296 258 A C -1.100 176.555 177.584 0.118 0.000 1.094 258 A CA -0.514 51.588 52.037 0.108 0.000 0.718 258 A CB 2.007 21.096 19.000 0.148 0.000 1.307 258 A HN 0.004 nan 8.150 nan 0.000 0.408 259 S N 1.124 116.883 115.700 0.098 0.000 2.547 259 S HA 0.779 5.249 4.470 0.000 0.000 0.270 259 S C -1.376 173.238 174.600 0.023 0.000 1.150 259 S CA -0.477 57.742 58.200 0.032 0.000 0.850 259 S CB 1.591 64.781 63.200 -0.016 0.000 1.118 259 S HN 1.362 nan 8.310 nan 0.000 0.461 260 M N 3.643 123.191 119.600 -0.086 0.000 2.325 260 M HA 0.425 4.905 4.480 0.000 0.000 0.285 260 M C -1.833 174.405 176.300 -0.104 0.000 1.119 260 M CA -0.083 55.169 55.300 -0.079 0.000 0.959 260 M CB 1.818 34.362 32.600 -0.094 0.000 1.737 260 M HN 1.044 nan 8.290 nan 0.000 0.486 261 S N 5.852 121.551 115.700 -0.002 0.000 2.614 261 S HA 0.728 5.198 4.470 0.000 0.000 0.288 261 S C -0.892 173.743 174.600 0.059 0.000 1.137 261 S CA -0.860 57.346 58.200 0.010 0.000 0.992 261 S CB 1.314 64.559 63.200 0.074 0.000 1.026 261 S HN 0.594 nan 8.310 nan 0.000 0.486 262 I N 3.016 123.627 120.570 0.068 0.000 2.396 262 I HA 0.381 4.551 4.170 0.000 0.000 0.292 262 I C 0.537 176.727 176.117 0.121 0.000 0.999 262 I CA -0.398 61.005 61.300 0.171 0.000 1.310 262 I CB 1.172 39.382 38.000 0.350 0.000 1.404 262 I HN 0.634 nan 8.210 nan 0.000 0.496 263 S N 6.410 122.169 115.700 0.098 0.000 2.654 263 S HA 0.685 5.155 4.470 0.000 0.000 0.283 263 S C -0.089 174.505 174.600 -0.010 0.000 1.180 263 S CA -0.559 57.656 58.200 0.024 0.000 1.021 263 S CB 1.911 65.141 63.200 0.050 0.000 1.018 263 S HN 0.405 nan 8.310 nan 0.000 0.532 264 I N 2.145 122.693 120.570 -0.037 0.000 2.468 264 I HA 0.387 4.557 4.170 0.000 0.000 0.285 264 I C -1.302 174.843 176.117 0.045 0.000 1.039 264 I CA -0.570 60.717 61.300 -0.021 0.000 1.074 264 I CB 1.775 39.758 38.000 -0.027 0.000 1.228 264 I HN 0.239 nan 8.210 nan 0.000 0.436 265 V N 6.747 126.661 119.914 0.000 0.000 2.588 265 V HA 0.533 4.653 4.120 0.000 0.000 0.304 265 V C -0.412 175.669 176.094 -0.021 0.000 1.042 265 V CA -0.766 61.543 62.300 0.014 0.000 0.877 265 V CB 2.349 34.164 31.823 -0.013 0.000 0.996 265 V HN 0.475 nan 8.190 nan 0.000 0.425 266 V N 1.912 121.833 119.914 0.011 0.000 2.525 266 V HA 1.019 5.139 4.120 0.000 0.000 0.299 266 V C 0.531 176.626 176.094 0.003 0.000 1.034 266 V CA 0.327 62.603 62.300 -0.039 0.000 0.863 266 V CB 0.548 32.297 31.823 -0.123 0.000 0.999 266 V HN 1.561 nan 8.190 nan 0.000 0.423 267 G N 4.309 113.101 108.800 -0.013 0.000 2.561 267 G HA2 -0.088 3.873 3.960 0.000 0.000 0.289 267 G HA3 -0.088 3.873 3.960 0.000 0.000 0.289 267 G C 0.778 175.680 174.900 0.003 0.000 1.169 267 G CA 0.425 45.525 45.100 -0.000 0.000 0.980 267 G HN 2.219 nan 8.290 nan 0.000 0.550 268 G N 0.435 109.241 108.800 0.009 0.000 3.959 268 G HA2 0.533 4.493 3.960 0.000 0.000 0.298 268 G HA3 0.533 4.493 3.960 0.000 0.000 0.298 268 G C 0.162 175.061 174.900 -0.003 0.000 1.211 268 G CA 1.085 46.186 45.100 0.001 0.000 1.001 268 G HN 0.707 nan 8.290 nan 0.000 0.561 269 K N 0.351 120.758 120.400 0.011 0.000 2.422 269 K HA 0.485 4.805 4.320 0.000 0.000 0.251 269 K C -1.167 175.439 176.600 0.010 0.000 0.933 269 K CA -1.050 55.243 56.287 0.010 0.000 0.798 269 K CB 2.001 34.535 32.500 0.056 0.000 1.238 269 K HN -0.011 nan 8.250 nan 0.000 0.428 270 L N 5.764 126.944 121.223 -0.073 0.000 2.404 270 L HA 0.183 4.523 4.340 0.000 0.000 0.277 270 L C 0.397 177.233 176.870 -0.057 0.000 1.184 270 L CA 0.071 54.831 54.840 -0.134 0.000 1.013 270 L CB -0.263 41.583 42.059 -0.355 0.000 1.318 270 L HN 0.842 nan 8.230 nan 0.000 0.435 271 W N 4.927 126.189 121.300 -0.063 0.000 2.354 271 W HA 0.177 4.837 4.660 0.000 0.000 0.315 271 W C 0.986 177.607 176.519 0.171 0.000 1.206 271 W CA 1.536 58.898 57.345 0.030 0.000 1.290 271 W CB 0.174 29.624 29.460 -0.016 0.000 1.152 271 W HN 0.555 nan 8.180 nan 0.000 0.489 272 G N -0.606 108.413 108.800 0.365 0.000 2.579 272 G HA2 0.457 4.417 3.960 0.000 0.000 0.292 272 G HA3 0.457 4.417 3.960 0.000 0.000 0.292 272 G C -2.333 172.601 174.900 0.057 0.000 1.484 272 G CA -0.539 44.712 45.100 0.251 0.000 0.813 272 G HN 0.500 nan 8.290 nan 0.000 0.515 273 L N -1.696 119.489 121.223 -0.063 0.000 2.431 273 L HA 0.865 5.206 4.340 0.000 0.000 0.266 273 L C -1.138 175.418 176.870 -0.523 0.000 0.978 273 L CA -1.313 53.352 54.840 -0.291 0.000 0.822 273 L CB 1.348 43.298 42.059 -0.181 0.000 1.310 273 L HN 0.406 nan 8.230 nan 0.000 0.409 274 F N 1.392 121.238 119.950 -0.175 0.000 2.506 274 F HA 0.530 5.058 4.527 0.000 0.000 0.371 274 F C 1.115 176.705 175.800 -0.351 0.000 1.078 274 F CA 0.214 58.050 58.000 -0.273 0.000 1.195 274 F CB 1.224 40.125 39.000 -0.165 0.000 1.099 274 F HN 0.728 nan 8.300 nan 0.000 0.548 275 S N 3.874 119.368 115.700 -0.343 0.000 2.478 275 S HA 0.657 5.127 4.470 0.000 0.000 0.312 275 S C -0.926 173.512 174.600 -0.271 0.000 1.094 275 S CA -0.658 57.358 58.200 -0.305 0.000 1.081 275 S CB 0.414 63.372 63.200 -0.403 0.000 1.007 275 S HN 0.698 nan 8.310 nan 0.000 0.475 276 C N 4.926 124.086 119.300 -0.234 0.000 2.382 276 C HA 0.656 5.116 4.460 0.000 0.000 0.327 276 C C -0.132 174.819 174.990 -0.065 0.000 1.250 276 C CA -0.748 58.030 59.018 -0.399 0.000 1.707 276 C CB -0.111 27.008 27.740 -1.036 0.000 2.272 276 C HN 0.934 nan 8.230 nan 0.000 0.506 277 H N -0.093 118.885 119.070 -0.153 0.000 2.690 277 H HA 0.477 5.034 4.556 0.000 0.000 0.368 277 H C -1.071 174.454 175.328 0.329 0.000 1.150 277 H CA -0.479 55.611 56.048 0.070 0.000 1.174 277 H CB 2.105 31.899 29.762 0.054 0.000 1.684 277 H HN 0.757 nan 8.280 nan 0.000 0.538 278 H N 1.246 120.527 119.070 0.352 0.000 2.797 278 H HA 0.205 4.761 4.556 0.000 0.000 0.372 278 H C 0.218 175.628 175.328 0.136 0.000 1.168 278 H CA -0.694 55.508 56.048 0.257 0.000 1.163 278 H CB 1.305 31.183 29.762 0.194 0.000 1.778 278 H HN 0.471 nan 8.280 nan 0.000 0.551 279 M N 0.778 120.321 119.600 -0.095 0.000 2.509 279 M HA 0.139 4.619 4.480 0.000 0.000 0.250 279 M C 0.087 176.434 176.300 0.078 0.000 1.132 279 M CA 0.338 55.634 55.300 -0.007 0.000 1.080 279 M CB -0.709 31.848 32.600 -0.073 0.000 1.408 279 M HN 0.521 nan 8.290 nan 0.000 0.484 280 S N -0.755 115.082 115.700 0.228 0.000 2.709 280 S HA 0.760 5.230 4.470 0.000 0.000 0.302 280 S C -2.899 171.823 174.600 0.203 0.000 1.127 280 S CA -1.602 56.720 58.200 0.204 0.000 0.905 280 S CB 1.516 64.824 63.200 0.180 0.000 1.151 280 S HN -0.103 nan 8.310 nan 0.000 0.510 281 P HA 0.362 nan 4.420 nan 0.000 0.269 281 P C -0.873 176.372 177.300 -0.092 0.000 1.215 281 P CA -0.136 62.975 63.100 0.019 0.000 0.780 281 P CB 0.310 32.017 31.700 0.012 0.000 0.898 282 K N 1.737 122.053 120.400 -0.140 0.000 2.578 282 K HA 0.627 4.947 4.320 0.000 0.000 0.269 282 K C -2.226 174.262 176.600 -0.187 0.000 0.941 282 K CA -0.746 55.374 56.287 -0.279 0.000 0.847 282 K CB 1.394 33.517 32.500 -0.629 0.000 1.397 282 K HN 0.351 nan 8.250 nan 0.000 0.422 283 L N 3.990 125.095 121.223 -0.196 0.000 2.455 283 L HA 0.583 4.923 4.340 0.000 0.000 0.264 283 L C -1.719 175.082 176.870 -0.115 0.000 0.968 283 L CA -0.830 53.910 54.840 -0.168 0.000 0.827 283 L CB 1.739 43.681 42.059 -0.195 0.000 1.317 283 L HN 0.626 nan 8.230 nan 0.000 0.407 284 I N 5.716 126.251 120.570 -0.059 0.000 2.378 284 I HA 0.512 4.682 4.170 0.000 0.000 0.291 284 I C -2.021 174.107 176.117 0.017 0.000 0.992 284 I CA -2.212 59.090 61.300 0.003 0.000 1.154 284 I CB 1.494 39.554 38.000 0.100 0.000 1.315 284 I HN 0.455 nan 8.210 nan 0.000 0.448 285 P HA -0.119 nan 4.420 nan 0.000 0.267 285 P C 0.383 177.738 177.300 0.090 0.000 1.195 285 P CA 0.290 63.419 63.100 0.049 0.000 0.773 285 P CB 0.380 32.092 31.700 0.020 0.000 0.837 286 Y N 5.383 125.693 120.300 0.016 0.000 2.163 286 Y HA -0.113 4.437 4.550 0.000 0.000 0.288 286 Y C -0.922 174.987 175.900 0.015 0.000 1.136 286 Y CA 1.887 60.001 58.100 0.022 0.000 1.147 286 Y CB -1.920 36.555 38.460 0.025 0.000 0.987 286 Y HN 0.395 nan 8.280 nan 0.000 0.509 287 P HA -0.223 nan 4.420 nan 0.000 0.214 287 P C 1.962 179.197 177.300 -0.107 0.000 1.163 287 P CA 2.509 65.561 63.100 -0.080 0.000 0.889 287 P CB -0.148 31.578 31.700 0.043 0.000 0.790 288 V N 0.061 119.895 119.914 -0.132 0.000 2.287 288 V HA -0.250 3.870 4.120 0.000 0.000 0.248 288 V C 2.457 178.332 176.094 -0.366 0.000 1.053 288 V CA 1.784 63.912 62.300 -0.286 0.000 1.027 288 V CB -1.172 30.514 31.823 -0.229 0.000 0.646 288 V HN 0.067 nan 8.190 nan 0.000 0.447 289 R N -0.677 119.723 120.500 -0.167 0.000 2.170 289 R HA -0.165 4.176 4.340 0.000 0.000 0.242 289 R C 2.169 178.413 176.300 -0.093 0.000 1.145 289 R CA 1.401 57.474 56.100 -0.047 0.000 0.984 289 R CB -0.297 30.002 30.300 -0.001 0.000 0.869 289 R HN 0.413 nan 8.270 nan 0.000 0.455 290 M N -0.488 118.989 119.600 -0.204 0.000 2.334 290 M HA 0.004 4.484 4.480 0.000 0.000 0.266 290 M C 2.104 178.494 176.300 0.150 0.000 1.082 290 M CA 1.187 56.450 55.300 -0.062 0.000 1.141 290 M CB -0.674 31.792 32.600 -0.223 0.000 1.380 290 M HN -0.070 nan 8.290 nan 0.000 0.440 291 S N 0.734 116.412 115.700 -0.038 0.000 2.387 291 S HA -0.115 4.355 4.470 0.000 0.000 0.230 291 S C 1.615 176.143 174.600 -0.121 0.000 1.035 291 S CA 1.258 59.277 58.200 -0.301 0.000 1.014 291 S CB -0.315 62.528 63.200 -0.595 0.000 0.836 291 S HN 0.318 nan 8.310 nan 0.000 0.466 292 F N 1.231 121.208 119.950 0.045 0.000 2.416 292 F HA 0.150 4.677 4.527 0.000 0.000 0.296 292 F C 2.483 178.412 175.800 0.216 0.000 1.099 292 F CA 0.089 58.162 58.000 0.123 0.000 1.427 292 F CB -0.953 38.078 39.000 0.052 0.000 1.079 292 F HN 0.211 nan 8.300 nan 0.000 0.536 293 Q N 0.595 120.563 119.800 0.280 0.000 2.167 293 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 293 Q C 2.277 178.374 176.000 0.162 0.000 0.970 293 Q CA 1.408 57.321 55.803 0.183 0.000 0.855 293 Q CB -0.186 28.607 28.738 0.091 0.000 0.911 293 Q HN 0.544 nan 8.270 nan 0.000 0.438 294 I N -0.045 120.638 120.570 0.188 0.000 2.406 294 I HA -0.150 4.020 4.170 0.000 0.000 0.249 294 I C 1.904 178.106 176.117 0.141 0.000 1.122 294 I CA 0.507 61.896 61.300 0.148 0.000 1.431 294 I CB -0.059 38.040 38.000 0.165 0.000 1.087 294 I HN 0.331 nan 8.210 nan 0.000 0.424 295 F N 1.088 121.082 119.950 0.074 0.000 2.095 295 F HA -0.283 4.245 4.527 0.000 0.000 0.298 295 F C 2.728 178.582 175.800 0.089 0.000 1.104 295 F CA 2.001 60.049 58.000 0.080 0.000 1.232 295 F CB -0.856 38.230 39.000 0.143 0.000 0.987 295 F HN 0.102 nan 8.300 nan 0.000 0.475 296 S N -0.049 115.604 115.700 -0.079 0.000 2.387 296 S HA -0.327 4.143 4.470 0.000 0.000 0.230 296 S C 1.928 176.401 174.600 -0.211 0.000 1.035 296 S CA 1.980 60.062 58.200 -0.196 0.000 1.014 296 S CB -0.574 62.667 63.200 0.069 0.000 0.836 296 S HN 0.734 nan 8.310 nan 0.000 0.466 297 Q N -0.358 119.377 119.800 -0.108 0.000 2.291 297 Q HA 0.062 4.402 4.340 0.000 0.000 0.205 297 Q C 2.150 178.076 176.000 -0.123 0.000 0.970 297 Q CA 1.148 56.899 55.803 -0.086 0.000 0.876 297 Q CB -0.060 28.661 28.738 -0.028 0.000 0.935 297 Q HN 0.453 nan 8.270 nan 0.000 0.455 298 V N -0.873 118.934 119.914 -0.177 0.000 2.379 298 V HA -0.219 3.902 4.120 0.000 0.000 0.243 298 V C 2.080 178.040 176.094 -0.223 0.000 1.035 298 V CA 1.074 63.275 62.300 -0.164 0.000 1.035 298 V CB -0.071 31.685 31.823 -0.110 0.000 0.673 298 V HN 0.500 nan 8.190 nan 0.000 0.457 299 C N -0.369 118.697 119.300 -0.389 0.000 2.413 299 C HA -0.163 4.297 4.460 0.000 0.000 0.276 299 C C 3.103 177.945 174.990 -0.247 0.000 1.248 299 C CA 1.719 60.548 59.018 -0.315 0.000 1.742 299 C CB -1.002 26.505 27.740 -0.389 0.000 2.017 299 C HN 0.573 nan 8.230 nan 0.000 0.481 300 S N 0.035 115.595 115.700 -0.232 0.000 2.465 300 S HA -0.076 4.394 4.470 0.000 0.000 0.241 300 S C 1.823 176.307 174.600 -0.193 0.000 1.000 300 S CA 1.144 59.222 58.200 -0.204 0.000 0.964 300 S CB -0.173 62.943 63.200 -0.141 0.000 0.763 300 S HN 0.746 nan 8.310 nan 0.000 0.512 301 A N 0.277 122.997 122.820 -0.166 0.000 1.942 301 A HA 0.255 4.575 4.320 0.000 0.000 0.209 301 A C 1.845 179.348 177.584 -0.135 0.000 1.214 301 A CA 0.269 52.228 52.037 -0.130 0.000 0.686 301 A CB -0.285 18.658 19.000 -0.095 0.000 0.871 301 A HN 0.380 nan 8.150 nan 0.000 0.460 302 I N -0.147 120.341 120.570 -0.138 0.000 2.233 302 I HA -0.123 4.047 4.170 0.000 0.000 0.243 302 I C 2.417 178.438 176.117 -0.160 0.000 1.093 302 I CA 0.930 62.161 61.300 -0.115 0.000 1.380 302 I CB -0.355 37.599 38.000 -0.078 0.000 1.067 302 I HN 0.105 nan 8.210 nan 0.000 0.413 303 V N 0.687 120.457 119.914 -0.240 0.000 2.324 303 V HA -0.347 3.773 4.120 0.000 0.000 0.250 303 V C 2.525 178.380 176.094 -0.399 0.000 1.060 303 V CA 2.163 64.227 62.300 -0.394 0.000 1.042 303 V CB -0.776 30.651 31.823 -0.661 0.000 0.650 303 V HN 0.506 nan 8.190 nan 0.000 0.450 304 E N 1.396 121.399 120.200 -0.328 0.000 2.048 304 E HA -0.275 4.075 4.350 0.000 0.000 0.202 304 E C 2.278 178.779 176.600 -0.164 0.000 1.021 304 E CA 2.241 58.495 56.400 -0.244 0.000 0.825 304 E CB -0.300 29.298 29.700 -0.169 0.000 0.756 304 E HN 0.653 nan 8.360 nan 0.000 0.454 305 R N -0.203 120.221 120.500 -0.126 0.000 2.246 305 R HA 0.049 4.389 4.340 0.000 0.000 0.199 305 R C 2.028 178.286 176.300 -0.071 0.000 0.984 305 R CA 0.465 56.517 56.100 -0.081 0.000 1.015 305 R CB -0.463 29.801 30.300 -0.060 0.000 0.930 305 R HN 0.227 nan 8.270 nan 0.000 0.475 306 L N 1.841 123.009 121.223 -0.091 0.000 2.275 306 L HA -0.031 4.309 4.340 0.000 0.000 0.215 306 L C 2.034 178.873 176.870 -0.051 0.000 1.119 306 L CA 1.601 56.404 54.840 -0.063 0.000 0.790 306 L CB -0.315 41.703 42.059 -0.069 0.000 0.919 306 L HN 0.059 nan 8.230 nan 0.000 0.443 307 E N -0.575 119.576 120.200 -0.082 0.000 2.045 307 E HA -0.136 4.215 4.350 0.000 0.000 0.190 307 E C 1.977 178.569 176.600 -0.014 0.000 0.968 307 E CA 0.976 57.356 56.400 -0.033 0.000 0.813 307 E CB -0.313 29.355 29.700 -0.053 0.000 0.780 307 E HN 0.685 nan 8.360 nan 0.000 0.455 308 Q N -0.010 119.770 119.800 -0.032 0.000 2.500 308 Q HA 0.012 4.352 4.340 0.000 0.000 0.213 308 Q C 1.641 177.632 176.000 -0.015 0.000 0.974 308 Q CA 1.351 57.143 55.803 -0.018 0.000 0.918 308 Q CB -0.209 28.515 28.738 -0.025 0.000 0.980 308 Q HN 0.134 nan 8.270 nan 0.000 0.505 309 G N 1.206 109.995 108.800 -0.017 0.000 2.603 309 G HA2 -0.120 3.840 3.960 0.000 0.000 0.214 309 G HA3 -0.120 3.840 3.960 0.000 0.000 0.214 309 G C 1.476 176.375 174.900 -0.002 0.000 1.140 309 G CA 0.126 45.219 45.100 -0.011 0.000 0.800 309 G HN 0.297 nan 8.290 nan 0.000 0.533 310 R N 0.715 121.217 120.500 0.004 0.000 2.090 310 R HA 0.045 4.385 4.340 0.000 0.000 0.228 310 R C 2.272 178.580 176.300 0.012 0.000 1.110 310 R CA 1.221 57.330 56.100 0.014 0.000 0.973 310 R CB -0.220 30.096 30.300 0.028 0.000 0.869 310 R HN 0.401 nan 8.270 nan 0.000 0.440 311 I N -0.971 119.606 120.570 0.010 0.000 3.251 311 I HA 0.099 4.269 4.170 0.000 0.000 0.277 311 I C 1.403 177.519 176.117 -0.001 0.000 1.268 311 I CA 1.298 62.601 61.300 0.006 0.000 1.449 311 I CB -0.524 37.481 38.000 0.008 0.000 1.083 311 I HN 0.098 nan 8.210 nan 0.000 0.464 312 A N 1.279 124.098 122.820 -0.002 0.000 2.169 312 A HA -0.082 4.238 4.320 0.000 0.000 0.212 312 A C 2.095 179.677 177.584 -0.003 0.000 1.153 312 A CA 1.111 53.145 52.037 -0.004 0.000 0.756 312 A CB -0.343 18.653 19.000 -0.006 0.000 0.813 312 A HN 0.561 nan 8.150 nan 0.000 0.471 313 E N 0.499 120.699 120.200 0.000 0.000 2.060 313 E HA -0.023 4.327 4.350 0.000 0.000 0.189 313 E C 1.738 178.339 176.600 0.002 0.000 0.974 313 E CA 0.887 57.288 56.400 0.002 0.000 0.808 313 E CB -0.478 29.226 29.700 0.006 0.000 0.768 313 E HN 0.490 nan 8.360 nan 0.000 0.453 314 L N 0.505 121.729 121.223 0.002 0.000 2.127 314 L HA -0.154 4.187 4.340 0.000 0.000 0.211 314 L C 2.393 179.259 176.870 -0.006 0.000 1.089 314 L CA 0.753 55.592 54.840 -0.001 0.000 0.757 314 L CB -0.511 41.545 42.059 -0.004 0.000 0.899 314 L HN 0.306 nan 8.230 nan 0.000 0.434 315 L N -0.488 120.731 121.223 -0.007 0.000 2.217 315 L HA -0.133 4.207 4.340 0.000 0.000 0.211 315 L C 2.678 179.543 176.870 -0.008 0.000 1.107 315 L CA 1.275 56.109 54.840 -0.010 0.000 0.783 315 L CB -0.715 41.337 42.059 -0.011 0.000 0.919 315 L HN 0.340 nan 8.230 nan 0.000 0.442 316 R N 0.048 120.545 120.500 -0.005 0.000 2.056 316 R HA -0.116 4.224 4.340 0.000 0.000 0.227 316 R C 2.187 178.485 176.300 -0.003 0.000 1.149 316 R CA 1.730 57.828 56.100 -0.004 0.000 0.937 316 R CB -0.196 30.102 30.300 -0.003 0.000 0.835 316 R HN 0.291 nan 8.270 nan 0.000 0.430 317 V N -0.419 119.495 119.914 0.000 0.000 3.026 317 V HA -0.140 3.980 4.120 0.000 0.000 0.265 317 V C 2.030 178.127 176.094 0.005 0.000 1.121 317 V CA 2.132 64.434 62.300 0.003 0.000 1.142 317 V CB -0.239 31.588 31.823 0.008 0.000 0.730 317 V HN 0.375 nan 8.190 nan 0.000 0.503 318 S N 1.951 117.652 115.700 0.002 0.000 2.355 318 S HA -0.207 4.263 4.470 0.000 0.000 0.222 318 S C 2.090 176.692 174.600 0.003 0.000 1.031 318 S CA 2.399 60.601 58.200 0.003 0.000 0.993 318 S CB -0.758 62.437 63.200 -0.008 0.000 0.859 318 S HN 0.970 nan 8.310 nan 0.000 0.453 319 T N -1.982 112.570 114.554 -0.003 0.000 3.065 319 T HA 0.252 4.603 4.350 0.000 0.000 0.252 319 T C 1.489 176.184 174.700 -0.009 0.000 1.099 319 T CA 0.860 62.956 62.100 -0.006 0.000 1.063 319 T CB -0.112 68.751 68.868 -0.009 0.000 0.948 319 T HN 0.351 nan 8.240 nan 0.000 0.506 320 E N 2.353 122.549 120.200 -0.007 0.000 2.152 320 E HA -0.037 4.313 4.350 0.000 0.000 0.192 320 E C 2.293 178.883 176.600 -0.017 0.000 0.983 320 E CA 0.912 57.305 56.400 -0.011 0.000 0.818 320 E CB -0.057 29.639 29.700 -0.008 0.000 0.758 320 E HN 0.779 nan 8.360 nan 0.000 0.467 321 R N -0.902 119.592 120.500 -0.011 0.000 2.312 321 R HA 0.253 4.593 4.340 0.000 0.000 0.205 321 R C 1.786 178.076 176.300 -0.017 0.000 0.904 321 R CA -0.061 56.028 56.100 -0.019 0.000 1.052 321 R CB 0.105 30.403 30.300 -0.003 0.000 1.014 321 R HN -0.054 nan 8.270 nan 0.000 0.503 322 R N 0.685 121.179 120.500 -0.010 0.000 2.200 322 R HA 0.123 4.463 4.340 0.000 0.000 0.208 322 R C 2.027 178.312 176.300 -0.025 0.000 1.033 322 R CA 0.375 56.466 56.100 -0.015 0.000 1.000 322 R CB -0.060 30.235 30.300 -0.009 0.000 0.906 322 R HN 0.259 nan 8.270 nan 0.000 0.462 323 L N 0.369 121.578 121.223 -0.024 0.000 1.961 323 L HA -0.095 4.245 4.340 0.000 0.000 0.209 323 L C 2.297 179.145 176.870 -0.036 0.000 1.075 323 L CA 1.493 56.317 54.840 -0.026 0.000 0.749 323 L CB -0.543 41.502 42.059 -0.023 0.000 0.890 323 L HN 0.153 nan 8.230 nan 0.000 0.433 324 A N -0.240 122.553 122.820 -0.046 0.000 2.032 324 A HA -0.245 4.075 4.320 0.000 0.000 0.221 324 A C 2.160 179.703 177.584 -0.069 0.000 1.165 324 A CA 1.603 53.601 52.037 -0.065 0.000 0.645 324 A CB -0.823 18.120 19.000 -0.095 0.000 0.807 324 A HN 0.541 nan 8.150 nan 0.000 0.453 325 L N -1.194 119.994 121.223 -0.060 0.000 2.156 325 L HA -0.014 4.327 4.340 0.000 0.000 0.208 325 L C 2.273 179.114 176.870 -0.048 0.000 1.095 325 L CA 1.934 56.741 54.840 -0.056 0.000 0.770 325 L CB -0.766 41.263 42.059 -0.049 0.000 0.914 325 L HN 0.415 nan 8.230 nan 0.000 0.439 326 A N -1.065 121.730 122.820 -0.041 0.000 2.379 326 A HA 0.035 4.355 4.320 0.000 0.000 0.236 326 A C 2.162 179.728 177.584 -0.029 0.000 1.272 326 A CA -0.150 51.867 52.037 -0.034 0.000 0.886 326 A CB -0.289 18.694 19.000 -0.029 0.000 0.962 326 A HN 0.361 nan 8.150 nan 0.000 0.504 327 R N -0.510 119.971 120.500 -0.033 0.000 2.225 327 R HA 0.148 4.489 4.340 0.000 0.000 0.194 327 R C 1.673 177.955 176.300 -0.029 0.000 0.957 327 R CA 0.365 56.448 56.100 -0.030 0.000 1.042 327 R CB 0.040 30.321 30.300 -0.031 0.000 1.004 327 R HN 0.466 nan 8.270 nan 0.000 0.509 328 R N -0.329 120.153 120.500 -0.030 0.000 2.105 328 R HA 0.199 4.540 4.340 0.000 0.000 0.214 328 R C 1.960 178.251 176.300 -0.015 0.000 1.091 328 R CA 0.895 56.984 56.100 -0.018 0.000 1.007 328 R CB 0.001 30.293 30.300 -0.012 0.000 0.912 328 R HN 0.057 nan 8.270 nan 0.000 0.450 329 A N 0.779 123.587 122.820 -0.020 0.000 2.248 329 A HA -0.033 4.287 4.320 0.000 0.000 0.210 329 A C 1.802 179.370 177.584 -0.027 0.000 1.174 329 A CA 0.961 52.987 52.037 -0.017 0.000 0.750 329 A CB -0.042 18.942 19.000 -0.027 0.000 0.780 329 A HN -0.000 nan 8.150 nan 0.000 0.478 330 R N -0.966 119.508 120.500 -0.042 0.000 2.435 330 R HA 0.072 4.412 4.340 0.000 0.000 0.221 330 R C -0.027 176.221 176.300 -0.085 0.000 0.885 330 R CA 0.642 56.693 56.100 -0.082 0.000 1.018 330 R CB 0.109 30.352 30.300 -0.095 0.000 1.259 330 R HN 0.383 nan 8.270 nan 0.000 0.597 331 D N -0.183 120.186 120.400 -0.052 0.000 2.348 331 D HA 0.138 4.778 4.640 0.000 0.000 0.211 331 D C 0.565 176.847 176.300 -0.030 0.000 0.998 331 D CA 0.640 54.614 54.000 -0.043 0.000 0.873 331 D CB 0.794 41.577 40.800 -0.029 0.000 0.925 331 D HN 0.171 nan 8.370 nan 0.000 0.524 332 A N 0.287 123.093 122.820 -0.023 0.000 2.622 332 A HA 0.140 4.460 4.320 0.000 0.000 0.283 332 A C 0.645 178.225 177.584 -0.006 0.000 0.998 332 A CA -0.237 51.795 52.037 -0.009 0.000 0.985 332 A CB 0.519 19.523 19.000 0.007 0.000 1.236 332 A HN -0.195 nan 8.150 nan 0.000 0.559 333 D N 0.727 121.117 120.400 -0.017 0.000 6.196 333 D HA -0.254 4.386 4.640 0.000 0.000 0.245 333 D C 0.335 176.647 176.300 0.019 0.000 2.000 333 D CA 2.301 56.296 54.000 -0.008 0.000 0.603 333 D CB -0.691 40.099 40.800 -0.017 0.000 0.348 333 D HN 0.548 nan 8.370 nan 0.000 1.183 334 D N 0.038 120.455 120.400 0.028 0.000 2.412 334 D HA 0.073 4.714 4.640 0.000 0.000 0.257 334 D C 1.530 177.901 176.300 0.118 0.000 1.217 334 D CA 0.054 54.093 54.000 0.065 0.000 0.897 334 D CB 0.518 41.345 40.800 0.044 0.000 1.132 334 D HN 0.148 nan 8.370 nan 0.000 0.493 335 L N 3.535 124.860 121.223 0.170 0.000 2.017 335 L HA -0.199 4.141 4.340 0.000 0.000 0.208 335 L C 2.132 179.109 176.870 0.178 0.000 1.073 335 L CA 0.715 55.634 54.840 0.132 0.000 0.745 335 L CB -0.343 41.772 42.059 0.094 0.000 0.894 335 L HN 0.428 nan 8.230 nan 0.000 0.432 336 F N 0.513 120.467 119.950 0.007 0.000 2.176 336 F HA -0.258 4.269 4.527 0.000 0.000 0.301 336 F C 2.339 178.149 175.800 0.016 0.000 1.071 336 F CA 1.560 59.571 58.000 0.018 0.000 1.289 336 F CB -1.259 37.756 39.000 0.025 0.000 1.028 336 F HN 0.073 nan 8.300 nan 0.000 0.494 337 G N -1.479 107.439 108.800 0.196 0.000 2.426 337 G HA2 0.055 4.015 3.960 0.000 0.000 0.214 337 G HA3 0.055 4.015 3.960 0.000 0.000 0.214 337 G C 1.841 176.806 174.900 0.108 0.000 1.156 337 G CA 0.559 45.732 45.100 0.121 0.000 0.802 337 G HN 0.455 nan 8.290 nan 0.000 0.534 338 A N 0.713 123.587 122.820 0.090 0.000 1.897 338 A HA 0.191 4.512 4.320 0.000 0.000 0.215 338 A C 2.327 179.944 177.584 0.055 0.000 1.181 338 A CA 0.881 52.962 52.037 0.073 0.000 0.620 338 A CB -0.367 18.647 19.000 0.024 0.000 0.821 338 A HN 0.316 nan 8.150 nan 0.000 0.443 339 L N -1.143 120.084 121.223 0.007 0.000 2.275 339 L HA -0.061 4.279 4.340 0.000 0.000 0.215 339 L C 2.342 179.201 176.870 -0.018 0.000 1.119 339 L CA 0.839 55.649 54.840 -0.051 0.000 0.790 339 L CB -0.197 41.771 42.059 -0.152 0.000 0.919 339 L HN 0.421 nan 8.230 nan 0.000 0.443 340 A N -2.535 120.302 122.820 0.028 0.000 2.465 340 A HA 0.053 4.373 4.320 0.000 0.000 0.255 340 A C 0.622 178.248 177.584 0.069 0.000 1.274 340 A CA -0.356 51.703 52.037 0.037 0.000 0.920 340 A CB -0.471 18.547 19.000 0.030 0.000 1.033 340 A HN 0.241 nan 8.150 nan 0.000 0.516 341 H N 1.153 120.230 119.070 0.011 0.000 2.972 341 H HA 0.034 4.590 4.556 0.000 0.000 0.343 341 H C -1.615 173.728 175.328 0.025 0.000 1.054 341 H CA -0.591 55.468 56.048 0.018 0.000 1.412 341 H CB 1.102 30.873 29.762 0.015 0.000 1.385 341 H HN 0.066 nan 8.280 nan 0.000 0.600 342 P HA -0.124 nan 4.420 nan 0.000 0.215 342 P C 0.573 177.963 177.300 0.151 0.000 1.157 342 P CA 1.537 64.662 63.100 0.042 0.000 0.868 342 P CB 0.450 32.124 31.700 -0.043 0.000 0.788 343 D N -2.069 118.492 120.400 0.269 0.000 2.431 343 D HA -0.001 4.639 4.640 0.000 0.000 0.227 343 D C 0.794 177.176 176.300 0.136 0.000 1.030 343 D CA 0.565 54.671 54.000 0.177 0.000 0.897 343 D CB -0.209 40.681 40.800 0.150 0.000 1.058 343 D HN 0.136 nan 8.370 nan 0.000 0.500 344 D N 1.100 121.577 120.400 0.127 0.000 2.349 344 D HA 0.108 4.748 4.640 0.000 0.000 0.214 344 D C 1.212 177.539 176.300 0.046 0.000 1.063 344 D CA 0.098 54.100 54.000 0.003 0.000 0.847 344 D CB 0.631 41.321 40.800 -0.184 0.000 0.933 344 D HN 0.029 nan 8.370 nan 0.000 0.513 345 G N 1.206 110.081 108.800 0.124 0.000 2.667 345 G HA2 0.248 4.208 3.960 0.000 0.000 0.250 345 G HA3 0.248 4.208 3.960 0.000 0.000 0.250 345 G C 1.564 176.521 174.900 0.095 0.000 1.212 345 G CA -0.530 44.633 45.100 0.105 0.000 0.874 345 G HN 0.170 nan 8.290 nan 0.000 0.561 346 I N -1.234 119.356 120.570 0.034 0.000 2.194 346 I HA -0.184 3.987 4.170 0.000 0.000 0.246 346 I C 2.506 178.767 176.117 0.241 0.000 1.093 346 I CA 1.869 63.191 61.300 0.037 0.000 1.355 346 I CB -0.479 37.299 38.000 -0.370 0.000 1.046 346 I HN 0.367 nan 8.210 nan 0.000 0.413 347 A N 0.920 123.832 122.820 0.154 0.000 2.186 347 A HA 0.140 4.460 4.320 0.000 0.000 0.219 347 A C 2.194 179.933 177.584 0.258 0.000 1.159 347 A CA 1.710 53.894 52.037 0.245 0.000 0.680 347 A CB -0.706 18.397 19.000 0.171 0.000 0.787 347 A HN 0.714 nan 8.150 nan 0.000 0.467 348 A N -1.663 121.289 122.820 0.220 0.000 2.508 348 A HA 0.534 4.854 4.320 0.000 0.000 0.257 348 A C 1.541 179.224 177.584 0.165 0.000 1.226 348 A CA -0.008 52.131 52.037 0.169 0.000 0.947 348 A CB -0.102 18.975 19.000 0.128 0.000 1.079 348 A HN 0.404 nan 8.150 nan 0.000 0.531 349 L N -0.652 120.720 121.223 0.249 0.000 2.145 349 L HA 0.367 4.707 4.340 0.000 0.000 0.201 349 L C 0.025 176.952 176.870 0.095 0.000 1.075 349 L CA 1.153 56.116 54.840 0.205 0.000 0.773 349 L CB 0.138 42.401 42.059 0.340 0.000 0.936 349 L HN 0.266 nan 8.230 nan 0.000 0.451 350 I N 0.781 121.391 120.570 0.067 0.000 2.410 350 I HA 0.259 4.429 4.170 0.000 0.000 0.286 350 I C -2.209 173.910 176.117 0.004 0.000 1.009 350 I CA -2.031 59.163 61.300 -0.176 0.000 1.111 350 I CB 1.705 39.221 38.000 -0.808 0.000 1.262 350 I HN -0.083 nan 8.210 nan 0.000 0.443 351 P HA -0.087 nan 4.420 nan 0.000 0.253 351 P C -0.660 176.677 177.300 0.062 0.000 1.159 351 P CA 0.206 63.333 63.100 0.045 0.000 0.779 351 P CB -0.033 31.669 31.700 0.003 0.000 0.745 352 C N 1.551 120.924 119.300 0.120 0.000 3.340 352 C HA 0.504 4.964 4.460 0.000 0.000 0.333 352 C C 0.416 175.458 174.990 0.087 0.000 1.464 352 C CA -0.583 58.514 59.018 0.132 0.000 1.337 352 C CB 1.833 29.775 27.740 0.336 0.000 1.740 352 C HN 0.382 nan 8.230 nan 0.000 0.450 353 D N 0.145 120.559 120.400 0.023 0.000 2.433 353 D HA 0.427 5.067 4.640 0.000 0.000 0.211 353 D C 0.588 176.973 176.300 0.142 0.000 1.114 353 D CA 0.967 54.980 54.000 0.021 0.000 0.837 353 D CB 1.189 41.817 40.800 -0.287 0.000 0.984 353 D HN 1.166 nan 8.370 nan 0.000 0.505 354 G N -0.095 108.781 108.800 0.126 0.000 2.519 354 G HA2 0.566 4.526 3.960 0.000 0.000 0.292 354 G HA3 0.566 4.526 3.960 0.000 0.000 0.292 354 G C -1.639 173.381 174.900 0.200 0.000 1.507 354 G CA -0.078 45.137 45.100 0.193 0.000 0.806 354 G HN 0.174 nan 8.290 nan 0.000 0.523 355 A N -0.092 122.913 122.820 0.309 0.000 2.525 355 A HA 0.989 5.309 4.320 0.000 0.000 0.291 355 A C -1.811 175.939 177.584 0.277 0.000 1.268 355 A CA -0.859 51.330 52.037 0.254 0.000 0.712 355 A CB 2.051 21.080 19.000 0.048 0.000 1.320 355 A HN 1.924 nan 8.150 nan 0.000 0.456 356 L N 0.070 121.370 121.223 0.129 0.000 2.666 356 L HA 0.530 4.870 4.340 0.000 0.000 0.259 356 L C -1.823 175.054 176.870 0.013 0.000 0.919 356 L CA -0.182 54.726 54.840 0.113 0.000 0.927 356 L CB 1.345 43.520 42.059 0.194 0.000 1.423 356 L HN 0.569 nan 8.230 nan 0.000 0.426 357 V N 5.409 125.265 119.914 -0.097 0.000 2.495 357 V HA 0.636 4.756 4.120 0.000 0.000 0.298 357 V C -0.037 175.957 176.094 -0.167 0.000 1.031 357 V CA -0.438 61.733 62.300 -0.216 0.000 0.871 357 V CB 1.908 33.379 31.823 -0.587 0.000 0.988 357 V HN 0.824 nan 8.190 nan 0.000 0.432 358 M N 6.401 126.040 119.600 0.064 0.000 2.213 358 M HA 0.754 5.234 4.480 0.000 0.000 0.286 358 M C -2.423 174.060 176.300 0.305 0.000 1.008 358 M CA -0.538 54.894 55.300 0.220 0.000 0.937 358 M CB 1.733 34.511 32.600 0.297 0.000 1.600 358 M HN 0.597 nan 8.290 nan 0.000 0.450 359 L N 4.709 126.209 121.223 0.461 0.000 2.506 359 L HA 0.872 5.212 4.340 0.000 0.000 0.257 359 L C 0.395 177.440 176.870 0.292 0.000 0.964 359 L CA 1.168 56.253 54.840 0.408 0.000 0.836 359 L CB 1.904 44.342 42.059 0.631 0.000 1.384 359 L HN 0.939 nan 8.230 nan 0.000 0.410 360 G N 3.055 111.966 108.800 0.186 0.000 2.704 360 G HA2 -0.354 3.606 3.960 0.000 0.000 0.344 360 G HA3 -0.354 3.606 3.960 0.000 0.000 0.344 360 G C 0.696 175.663 174.900 0.112 0.000 1.200 360 G CA 0.804 45.976 45.100 0.121 0.000 0.962 360 G HN 1.667 nan 8.290 nan 0.000 0.552 361 G N -0.432 108.414 108.800 0.077 0.000 2.724 361 G HA2 0.403 4.363 3.960 0.000 0.000 0.205 361 G HA3 0.403 4.363 3.960 0.000 0.000 0.205 361 G C 0.886 175.837 174.900 0.085 0.000 1.112 361 G CA 0.728 45.868 45.100 0.067 0.000 0.793 361 G HN 0.653 nan 8.290 nan 0.000 0.526 362 R N 0.542 121.090 120.500 0.081 0.000 2.490 362 R HA 0.598 4.938 4.340 0.000 0.000 0.280 362 R C -0.244 176.261 176.300 0.341 0.000 1.077 362 R CA 0.224 56.392 56.100 0.112 0.000 1.065 362 R CB 1.072 31.317 30.300 -0.093 0.000 1.003 362 R HN 0.057 nan 8.270 nan 0.000 0.470 363 T N 2.214 116.930 114.554 0.271 0.000 2.932 363 T HA 0.626 4.976 4.350 0.000 0.000 0.289 363 T C -1.288 173.556 174.700 0.240 0.000 1.039 363 T CA -0.660 61.581 62.100 0.234 0.000 1.024 363 T CB 0.656 69.573 68.868 0.081 0.000 1.090 363 T HN 0.282 nan 8.240 nan 0.000 0.496 364 L N 3.114 124.408 121.223 0.119 0.000 2.504 364 L HA 0.448 4.788 4.340 0.000 0.000 0.265 364 L C -0.589 176.290 176.870 0.014 0.000 0.975 364 L CA -0.574 54.313 54.840 0.079 0.000 0.864 364 L CB 1.671 43.766 42.059 0.060 0.000 1.212 364 L HN 0.755 nan 8.230 nan 0.000 0.416 365 S N 4.989 120.690 115.700 0.001 0.000 2.422 365 S HA 0.557 5.027 4.470 0.000 0.000 0.308 365 S C -0.384 174.216 174.600 -0.000 0.000 1.097 365 S CA -0.677 57.522 58.200 -0.001 0.000 1.099 365 S CB 1.499 64.633 63.200 -0.110 0.000 0.976 365 S HN 0.587 nan 8.310 nan 0.000 0.471 366 I N 1.751 122.375 120.570 0.090 0.000 2.354 366 I HA 0.587 4.757 4.170 0.000 0.000 0.292 366 I C 0.337 176.554 176.117 0.167 0.000 0.989 366 I CA -0.728 60.624 61.300 0.086 0.000 1.188 366 I CB 0.848 38.891 38.000 0.071 0.000 1.342 366 I HN 0.890 nan 8.210 nan 0.000 0.457 367 R N 3.857 124.410 120.500 0.088 0.000 3.854 367 R HA -0.104 4.236 4.340 0.000 0.000 0.352 367 R C 0.093 176.415 176.300 0.037 0.000 1.156 367 R CA 0.561 56.731 56.100 0.117 0.000 0.917 367 R CB -1.939 28.489 30.300 0.213 0.000 1.471 367 R HN 1.230 nan 8.270 nan 0.000 0.521 368 G N -0.491 108.155 108.800 -0.255 0.000 2.359 368 G HA2 0.115 4.075 3.960 0.000 0.000 0.293 368 G HA3 0.115 4.075 3.960 0.000 0.000 0.293 368 G C -2.136 172.191 174.900 -0.955 0.000 1.300 368 G CA -0.361 44.310 45.100 -0.716 0.000 0.888 368 G HN 0.023 nan 8.290 nan 0.000 0.541 369 D N 0.228 120.019 120.400 -1.016 0.000 2.479 369 D HA 0.489 5.129 4.640 0.000 0.000 0.247 369 D C 0.082 175.964 176.300 -0.697 0.000 1.119 369 D CA -0.496 53.108 54.000 -0.660 0.000 0.922 369 D CB 0.077 40.665 40.800 -0.353 0.000 1.014 369 D HN 0.226 nan 8.370 nan 0.000 0.510 370 F N 0.670 120.426 119.950 -0.323 0.000 2.641 370 F HA 0.178 4.705 4.527 0.000 0.000 0.302 370 F C 2.116 177.680 175.800 -0.395 0.000 1.098 370 F CA -0.377 57.301 58.000 -0.536 0.000 1.318 370 F CB 0.512 38.858 39.000 -1.090 0.000 1.035 370 F HN 0.279 nan 8.300 nan 0.000 0.551 371 E N 1.267 121.369 120.200 -0.164 0.000 2.347 371 E HA -0.154 4.196 4.350 0.000 0.000 0.196 371 E C 2.244 178.776 176.600 -0.114 0.000 1.008 371 E CA 0.415 56.729 56.400 -0.144 0.000 0.852 371 E CB 0.212 29.845 29.700 -0.111 0.000 0.783 371 E HN 0.434 nan 8.360 nan 0.000 0.505 372 R N 0.182 120.629 120.500 -0.089 0.000 2.055 372 R HA -0.063 4.277 4.340 0.000 0.000 0.226 372 R C 2.487 178.780 176.300 -0.011 0.000 1.135 372 R CA 1.259 57.335 56.100 -0.040 0.000 0.959 372 R CB -0.004 30.283 30.300 -0.021 0.000 0.854 372 R HN 0.111 nan 8.270 nan 0.000 0.431 373 Q N -0.168 119.627 119.800 -0.008 0.000 2.030 373 Q HA -0.157 4.184 4.340 0.000 0.000 0.204 373 Q C 1.995 177.973 176.000 -0.036 0.000 0.986 373 Q CA 1.838 57.655 55.803 0.022 0.000 0.843 373 Q CB -0.231 28.524 28.738 0.028 0.000 0.904 373 Q HN 0.467 nan 8.270 nan 0.000 0.420 374 A N 0.298 123.050 122.820 -0.112 0.000 2.186 374 A HA -0.102 4.218 4.320 0.000 0.000 0.219 374 A C 1.974 179.371 177.584 -0.311 0.000 1.159 374 A CA 1.507 53.314 52.037 -0.384 0.000 0.680 374 A CB -0.655 17.865 19.000 -0.800 0.000 0.787 374 A HN 0.513 nan 8.150 nan 0.000 0.467 375 G N -0.092 108.620 108.800 -0.147 0.000 2.411 375 G HA2 -0.143 3.817 3.960 0.000 0.000 0.213 375 G HA3 -0.143 3.817 3.960 0.000 0.000 0.213 375 G C 1.352 176.243 174.900 -0.016 0.000 1.166 375 G CA 0.658 45.707 45.100 -0.084 0.000 0.802 375 G HN 0.555 nan 8.290 nan 0.000 0.533 376 N N 0.881 119.624 118.700 0.071 0.000 2.142 376 N HA -0.096 4.644 4.740 0.000 0.000 0.186 376 N C 2.322 177.989 175.510 0.261 0.000 1.023 376 N CA 1.064 54.244 53.050 0.215 0.000 0.852 376 N CB -0.566 38.179 38.487 0.430 0.000 0.998 376 N HN 0.145 nan 8.380 nan 0.000 0.424 377 V N 1.602 121.568 119.914 0.086 0.000 2.324 377 V HA -0.186 3.935 4.120 0.000 0.000 0.250 377 V C 2.295 178.272 176.094 -0.195 0.000 1.060 377 V CA 1.210 63.428 62.300 -0.137 0.000 1.042 377 V CB -0.451 31.207 31.823 -0.275 0.000 0.650 377 V HN 0.163 nan 8.190 nan 0.000 0.450 378 L N -0.601 120.520 121.223 -0.171 0.000 2.395 378 L HA -0.063 4.277 4.340 0.000 0.000 0.218 378 L C 2.304 179.070 176.870 -0.174 0.000 1.130 378 L CA 1.629 56.289 54.840 -0.301 0.000 0.826 378 L CB -0.454 41.423 42.059 -0.304 0.000 0.941 378 L HN 0.369 nan 8.230 nan 0.000 0.451 379 Q N -1.048 118.710 119.800 -0.070 0.000 2.302 379 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 379 Q C 2.218 178.210 176.000 -0.014 0.000 0.936 379 Q CA 0.455 56.242 55.803 -0.026 0.000 0.886 379 Q CB 0.230 28.973 28.738 0.008 0.000 0.986 379 Q HN 0.363 nan 8.270 nan 0.000 0.487 380 R N 0.324 120.828 120.500 0.007 0.000 2.081 380 R HA -0.061 4.279 4.340 0.000 0.000 0.235 380 R C 2.001 178.280 176.300 -0.035 0.000 1.131 380 R CA 1.278 57.385 56.100 0.011 0.000 0.960 380 R CB -0.227 30.130 30.300 0.096 0.000 0.856 380 R HN 0.281 nan 8.270 nan 0.000 0.436 381 L N 0.960 122.114 121.223 -0.114 0.000 2.622 381 L HA -0.082 4.258 4.340 0.000 0.000 0.233 381 L C 2.095 178.959 176.870 -0.011 0.000 1.156 381 L CA 0.260 55.054 54.840 -0.077 0.000 0.866 381 L CB -0.406 41.557 42.059 -0.160 0.000 0.980 381 L HN 0.271 nan 8.230 nan 0.000 0.448 382 Q N 0.682 120.472 119.800 -0.017 0.000 2.061 382 Q HA -0.203 4.137 4.340 0.000 0.000 0.204 382 Q C 2.247 178.260 176.000 0.021 0.000 0.984 382 Q CA 1.643 57.450 55.803 0.007 0.000 0.846 382 Q CB -0.231 28.508 28.738 0.001 0.000 0.902 382 Q HN 0.523 nan 8.270 nan 0.000 0.421 383 R N 0.481 120.992 120.500 0.019 0.000 2.241 383 R HA -0.072 4.268 4.340 0.000 0.000 0.224 383 R C 0.253 176.575 176.300 0.037 0.000 1.101 383 R CA 0.653 56.768 56.100 0.025 0.000 0.995 383 R CB 0.098 30.412 30.300 0.023 0.000 0.870 383 R HN 0.075 nan 8.270 nan 0.000 0.463 384 D N -0.143 120.285 120.400 0.047 0.000 2.460 384 D HA 0.166 4.806 4.640 0.000 0.000 0.268 384 D C -2.012 174.333 176.300 0.075 0.000 1.153 384 D CA -2.404 51.634 54.000 0.064 0.000 0.929 384 D CB 1.410 42.262 40.800 0.086 0.000 1.015 384 D HN -0.130 nan 8.370 nan 0.000 0.502 385 P HA -0.010 nan 4.420 nan 0.000 0.230 385 P C 0.669 178.011 177.300 0.071 0.000 1.158 385 P CA 0.764 63.904 63.100 0.067 0.000 0.769 385 P CB 0.547 32.273 31.700 0.044 0.000 0.807 386 E N -1.375 118.865 120.200 0.066 0.000 2.415 386 E HA 0.073 4.423 4.350 0.000 0.000 0.197 386 E C 0.505 177.145 176.600 0.065 0.000 1.007 386 E CA -0.134 56.297 56.400 0.051 0.000 0.890 386 E CB 0.172 29.895 29.700 0.039 0.000 0.891 386 E HN 0.047 nan 8.360 nan 0.000 0.496 387 R N 1.678 122.243 120.500 0.109 0.000 2.343 387 R HA 0.000 4.340 4.340 0.000 0.000 0.326 387 R C -0.404 175.983 176.300 0.145 0.000 1.055 387 R CA 0.293 56.477 56.100 0.139 0.000 0.961 387 R CB 0.553 30.971 30.300 0.196 0.000 0.978 387 R HN 0.131 nan 8.270 nan 0.000 0.443 388 D N 1.762 122.193 120.400 0.051 0.000 2.348 388 D HA 0.163 4.803 4.640 0.000 0.000 0.211 388 D C 0.416 176.708 176.300 -0.013 0.000 0.998 388 D CA 0.739 54.705 54.000 -0.057 0.000 0.873 388 D CB 0.462 41.207 40.800 -0.092 0.000 0.925 388 D HN 0.413 nan 8.370 nan 0.000 0.524 389 I N -0.695 119.924 120.570 0.080 0.000 2.828 389 I HA 0.427 4.598 4.170 0.000 0.000 0.302 389 I C -1.295 174.958 176.117 0.227 0.000 1.101 389 I CA -1.282 60.075 61.300 0.095 0.000 1.031 389 I CB 2.458 40.444 38.000 -0.023 0.000 1.231 389 I HN -0.236 nan 8.210 nan 0.000 0.427 390 Y N 4.865 125.199 120.300 0.056 0.000 2.592 390 Y HA 0.573 5.123 4.550 0.000 0.000 0.334 390 Y C -1.472 174.476 175.900 0.079 0.000 1.136 390 Y CA -0.453 57.710 58.100 0.105 0.000 1.042 390 Y CB 1.712 40.196 38.460 0.039 0.000 1.325 390 Y HN 0.710 nan 8.280 nan 0.000 0.457 391 H N 1.646 120.265 119.070 -0.752 0.000 3.043 391 H HA 0.626 5.182 4.556 0.000 0.000 0.317 391 H C -1.945 173.106 175.328 -0.462 0.000 1.321 391 H CA -0.393 55.313 56.048 -0.570 0.000 1.243 391 H CB 1.568 30.953 29.762 -0.629 0.000 1.924 391 H HN 0.835 nan 8.280 nan 0.000 0.527 392 T N 0.150 114.650 114.554 -0.090 0.000 2.770 392 T HA 0.230 4.580 4.350 0.000 0.000 0.323 392 T C -1.251 173.588 174.700 0.232 0.000 1.683 392 T CA -0.034 62.053 62.100 -0.022 0.000 1.024 392 T CB 1.023 69.863 68.868 -0.047 0.000 1.557 392 T HN 0.746 nan 8.240 nan 0.000 0.494 393 D N 1.206 121.679 120.400 0.122 0.000 2.513 393 D HA 0.205 4.845 4.640 0.000 0.000 0.222 393 D C -0.035 176.258 176.300 -0.012 0.000 1.210 393 D CA -0.338 53.709 54.000 0.079 0.000 0.825 393 D CB 0.339 41.177 40.800 0.064 0.000 1.037 393 D HN 0.395 nan 8.370 nan 0.000 0.506 394 N N 0.316 119.036 118.700 0.033 0.000 2.319 394 N HA 0.485 5.225 4.740 0.000 0.000 0.305 394 N C -1.192 174.481 175.510 0.271 0.000 1.103 394 N CA -0.661 52.387 53.050 -0.003 0.000 0.815 394 N CB 2.241 40.686 38.487 -0.069 0.000 1.288 394 N HN 0.096 nan 8.380 nan 0.000 0.493 407 D N -0.754 119.769 120.400 0.204 0.000 2.399 407 D HA 0.274 4.914 4.640 0.000 0.000 0.269 407 D C 0.277 176.697 176.300 0.201 0.000 1.105 407 D CA 0.012 54.119 54.000 0.177 0.000 0.844 407 D CB 0.059 40.941 40.800 0.136 0.000 1.372 407 D HN 0.305 nan 8.370 nan 0.000 0.517 408 C N 2.073 121.500 119.300 0.210 0.000 2.264 408 C HA 0.400 4.860 4.460 0.000 0.000 0.324 408 C C 1.582 176.698 174.990 0.211 0.000 1.267 408 C CA -0.799 58.347 59.018 0.213 0.000 1.618 408 C CB -0.015 27.853 27.740 0.212 0.000 2.278 408 C HN 0.623 nan 8.230 nan 0.000 0.499 409 C N 1.366 120.787 119.300 0.201 0.000 2.625 409 C HA 0.457 4.917 4.460 0.000 0.000 0.285 409 C C 1.100 176.192 174.990 0.171 0.000 1.279 409 C CA -0.523 58.627 59.018 0.220 0.000 1.698 409 C CB -1.679 26.154 27.740 0.156 0.000 1.821 409 C HN 0.958 nan 8.230 nan 0.000 0.600 410 G N 0.638 109.527 108.800 0.148 0.000 2.728 410 G HA2 0.588 4.548 3.960 0.000 0.000 0.296 410 G HA3 0.588 4.548 3.960 0.000 0.000 0.296 410 G C -1.047 174.048 174.900 0.325 0.000 1.401 410 G CA -0.054 45.148 45.100 0.171 0.000 1.007 410 G HN 0.235 nan 8.290 nan 0.000 0.527 411 V N 3.478 123.619 119.914 0.378 0.000 2.588 411 V HA 0.562 4.682 4.120 0.000 0.000 0.304 411 V C -0.301 175.716 176.094 -0.128 0.000 1.042 411 V CA -0.868 61.448 62.300 0.026 0.000 0.877 411 V CB 1.937 33.665 31.823 -0.158 0.000 0.996 411 V HN 0.682 nan 8.190 nan 0.000 0.425 412 L N 3.968 124.906 121.223 -0.476 0.000 2.362 412 L HA 0.951 5.291 4.340 0.000 0.000 0.275 412 L C -0.329 176.398 176.870 -0.239 0.000 0.998 412 L CA -0.433 54.004 54.840 -0.671 0.000 0.820 412 L CB 1.777 42.986 42.059 -1.416 0.000 1.270 412 L HN 0.841 nan 8.230 nan 0.000 0.415 413 A N 6.463 129.183 122.820 -0.168 0.000 2.398 413 A HA 0.748 5.068 4.320 0.000 0.000 0.301 413 A C -1.035 176.573 177.584 0.041 0.000 1.041 413 A CA -0.567 51.342 52.037 -0.213 0.000 0.711 413 A CB 1.432 20.159 19.000 -0.455 0.000 1.240 413 A HN 0.725 nan 8.150 nan 0.000 0.420 414 I N -0.833 119.773 120.570 0.060 0.000 2.892 414 I HA 0.841 5.011 4.170 0.000 0.000 0.306 414 I C -0.447 175.505 176.117 -0.276 0.000 1.078 414 I CA -1.078 60.218 61.300 -0.007 0.000 1.032 414 I CB 2.231 40.256 38.000 0.041 0.000 1.229 414 I HN 0.699 nan 8.210 nan 0.000 0.435 415 R N 3.976 124.130 120.500 -0.577 0.000 2.422 415 R HA 0.394 4.734 4.340 0.000 0.000 0.307 415 R C -0.817 175.166 176.300 -0.529 0.000 1.004 415 R CA -0.603 54.830 56.100 -1.112 0.000 0.882 415 R CB 0.923 30.184 30.300 -1.732 0.000 1.164 415 R HN 0.837 nan 8.270 nan 0.000 0.489 416 F N 0.654 120.383 119.950 -0.368 0.000 2.721 416 F HA 0.425 4.952 4.527 0.000 0.000 0.301 416 F C -0.291 175.491 175.800 -0.031 0.000 1.096 416 F CA -0.562 57.341 58.000 -0.162 0.000 1.308 416 F CB 0.262 39.204 39.000 -0.096 0.000 1.086 416 F HN 0.417 nan 8.300 nan 0.000 0.587 417 H N 0.160 118.887 119.070 -0.571 0.000 3.083 417 H HA 0.488 5.044 4.556 0.000 0.000 0.339 417 H C 0.368 175.496 175.328 -0.333 0.000 1.020 417 H CA -1.137 54.715 56.048 -0.326 0.000 1.360 417 H CB 1.332 30.955 29.762 -0.232 0.000 1.811 417 H HN -0.022 nan 8.280 nan 0.000 0.493 418 R N 2.014 122.275 120.500 -0.399 0.000 2.052 418 R HA -0.023 4.317 4.340 0.000 0.000 0.224 418 R C 1.792 177.981 176.300 -0.185 0.000 1.149 418 R CA 0.876 56.824 56.100 -0.254 0.000 0.962 418 R CB 0.036 30.218 30.300 -0.197 0.000 0.856 418 R HN 0.598 nan 8.270 nan 0.000 0.433 419 Q N 1.359 120.994 119.800 -0.275 0.000 1.943 419 Q HA -0.193 4.147 4.340 0.000 0.000 0.213 419 Q C -0.258 175.725 176.000 -0.029 0.000 1.017 419 Q CA 1.644 57.359 55.803 -0.147 0.000 0.874 419 Q CB 0.052 28.683 28.738 -0.179 0.000 0.960 419 Q HN 0.255 nan 8.270 nan 0.000 0.417 420 E N 0.769 121.003 120.200 0.057 0.000 2.152 420 E HA 0.156 4.506 4.350 0.000 0.000 0.285 420 E C -1.079 175.599 176.600 0.131 0.000 1.043 420 E CA -0.342 56.156 56.400 0.163 0.000 0.839 420 E CB 1.401 31.262 29.700 0.269 0.000 1.069 420 E HN 0.118 nan 8.360 nan 0.000 0.399 421 S N 2.733 118.504 115.700 0.118 0.000 2.611 421 S HA 0.101 4.571 4.470 0.000 0.000 0.317 421 S C 0.289 174.951 174.600 0.103 0.000 1.208 421 S CA -0.276 58.022 58.200 0.164 0.000 1.217 421 S CB 0.050 63.434 63.200 0.306 0.000 1.085 421 S HN 0.578 nan 8.310 nan 0.000 0.529 422 G N 3.205 111.854 108.800 -0.252 0.000 2.522 422 G HA2 0.547 4.507 3.960 0.000 0.000 0.318 422 G HA3 0.547 4.507 3.960 0.000 0.000 0.318 422 G C -1.005 173.236 174.900 -1.097 0.000 1.192 422 G CA -0.668 44.009 45.100 -0.705 0.000 0.988 422 G HN 0.600 nan 8.290 nan 0.000 0.480 423 W N 1.147 122.237 121.300 -0.350 0.000 2.929 423 W HA 0.763 5.423 4.660 0.000 0.000 0.345 423 W C -0.247 176.375 176.519 0.172 0.000 1.151 423 W CA -0.795 56.484 57.345 -0.111 0.000 1.111 423 W CB 2.128 31.644 29.460 0.093 0.000 1.449 423 W HN 0.198 nan 8.180 nan 0.000 0.572 424 I N 2.200 122.951 120.570 0.302 0.000 2.548 424 I HA 0.302 4.472 4.170 0.000 0.000 0.287 424 I C -1.446 174.609 176.117 -0.103 0.000 1.103 424 I CA -0.711 60.677 61.300 0.146 0.000 1.049 424 I CB 1.225 39.201 38.000 -0.041 0.000 1.232 424 I HN 0.064 nan 8.210 nan 0.000 0.429 425 F N 4.437 124.270 119.950 -0.195 0.000 2.522 425 F HA 0.656 5.183 4.527 0.000 0.000 0.324 425 F C -0.888 174.707 175.800 -0.340 0.000 1.077 425 F CA -0.902 56.962 58.000 -0.227 0.000 0.944 425 F CB 1.598 40.523 39.000 -0.126 0.000 1.175 425 F HN 0.241 nan 8.300 nan 0.000 0.468 426 W N 1.935 123.107 121.300 -0.213 0.000 2.915 426 W HA 0.753 5.413 4.660 0.000 0.000 0.337 426 W C -1.854 174.523 176.519 -0.235 0.000 1.102 426 W CA -1.651 55.668 57.345 -0.043 0.000 1.224 426 W CB 0.507 29.997 29.460 0.049 0.000 1.416 426 W HN 0.133 nan 8.180 nan 0.000 0.503 427 F N 1.512 121.542 119.950 0.133 0.000 2.579 427 F HA 0.799 5.326 4.527 0.000 0.000 0.324 427 F C 0.408 176.152 175.800 -0.094 0.000 1.058 427 F CA -1.575 56.399 58.000 -0.042 0.000 0.944 427 F CB 1.903 40.595 39.000 -0.514 0.000 1.245 427 F HN 0.098 nan 8.300 nan 0.000 0.477 428 R N 0.369 120.886 120.500 0.029 0.000 2.698 428 R HA 0.406 4.747 4.340 0.000 0.000 0.275 428 R C -1.056 175.153 176.300 -0.150 0.000 1.001 428 R CA -1.041 54.917 56.100 -0.236 0.000 0.896 428 R CB 2.668 32.761 30.300 -0.345 0.000 1.218 428 R HN 0.818 nan 8.270 nan 0.000 0.462 429 H N -0.322 118.773 119.070 0.042 0.000 2.570 429 H HA 0.291 4.848 4.556 0.000 0.000 0.342 429 H C -0.586 174.764 175.328 0.037 0.000 1.245 429 H CA -0.933 55.151 56.048 0.060 0.000 1.318 429 H CB 1.020 30.828 29.762 0.077 0.000 1.694 429 H HN 0.537 nan 8.280 nan 0.000 0.592 430 E N 1.111 121.446 120.200 0.226 0.000 2.652 430 E HA -0.135 4.215 4.350 0.000 0.000 0.255 430 E C -0.215 176.469 176.600 0.140 0.000 0.952 430 E CA 0.190 56.669 56.400 0.132 0.000 0.947 430 E CB 0.407 30.161 29.700 0.089 0.000 0.912 430 E HN 0.503 nan 8.360 nan 0.000 0.489 431 E N 2.956 123.221 120.200 0.108 0.000 2.529 431 E HA 0.014 4.364 4.350 0.000 0.000 0.259 431 E C -0.705 176.004 176.600 0.182 0.000 0.966 431 E CA -0.230 56.251 56.400 0.136 0.000 0.937 431 E CB 0.565 30.339 29.700 0.123 0.000 0.923 431 E HN 0.332 nan 8.360 nan 0.000 0.468 432 V N 2.273 122.314 119.914 0.212 0.000 2.628 432 V HA 0.284 4.404 4.120 0.000 0.000 0.306 432 V C -0.109 176.181 176.094 0.327 0.000 1.045 432 V CA -0.933 61.510 62.300 0.239 0.000 0.905 432 V CB 1.598 33.502 31.823 0.135 0.000 0.997 432 V HN 0.773 nan 8.190 nan 0.000 0.436 433 H N 3.518 122.759 119.070 0.285 0.000 3.091 433 H HA 0.175 4.731 4.556 0.000 0.000 0.289 433 H C 1.117 176.472 175.328 0.045 0.000 0.995 433 H CA 0.344 56.502 56.048 0.184 0.000 1.461 433 H CB 0.768 30.711 29.762 0.302 0.000 1.510 433 H HN 0.851 nan 8.280 nan 0.000 0.546 434 R N 4.393 124.824 120.500 -0.114 0.000 2.055 434 R HA 0.037 4.377 4.340 0.000 0.000 0.228 434 R C 0.215 176.301 176.300 -0.358 0.000 1.143 434 R CA 0.896 56.887 56.100 -0.181 0.000 0.945 434 R CB 0.236 30.463 30.300 -0.122 0.000 0.841 434 R HN 0.592 nan 8.270 nan 0.000 0.429 435 I N 1.449 121.695 120.570 -0.541 0.000 2.336 435 I HA 0.323 4.493 4.170 0.000 0.000 0.292 435 I C -0.261 175.326 176.117 -0.885 0.000 0.991 435 I CA -0.553 60.392 61.300 -0.593 0.000 1.227 435 I CB 1.622 39.359 38.000 -0.438 0.000 1.366 435 I HN 0.119 nan 8.210 nan 0.000 0.466 436 R N 5.912 125.994 120.500 -0.695 0.000 2.538 436 R HA 0.430 4.770 4.340 0.000 0.000 0.292 436 R C -2.007 174.075 176.300 -0.364 0.000 1.008 436 R CA -0.517 55.319 56.100 -0.441 0.000 0.896 436 R CB 1.429 31.613 30.300 -0.194 0.000 1.187 436 R HN 0.545 nan 8.270 nan 0.000 0.440 437 W N 2.742 124.028 121.300 -0.023 0.000 2.375 437 W HA 0.696 5.357 4.660 0.000 0.000 0.336 437 W C 0.693 177.223 176.519 0.017 0.000 1.160 437 W CA 0.185 57.520 57.345 -0.017 0.000 1.266 437 W CB 2.032 31.473 29.460 -0.031 0.000 1.195 437 W HN 0.814 nan 8.180 nan 0.000 0.599 438 G N -0.406 108.551 108.800 0.261 0.000 2.554 438 G HA2 0.603 4.563 3.960 0.000 0.000 0.306 438 G HA3 0.603 4.563 3.960 0.000 0.000 0.306 438 G C -0.349 174.631 174.900 0.132 0.000 1.320 438 G CA 0.195 45.389 45.100 0.157 0.000 0.800 438 G HN 1.312 nan 8.290 nan 0.000 0.481 439 G N -0.741 108.110 108.800 0.085 0.000 2.548 439 G HA2 0.186 4.147 3.960 0.000 0.000 0.208 439 G HA3 0.186 4.147 3.960 0.000 0.000 0.208 439 G C -0.381 174.550 174.900 0.053 0.000 1.308 439 G CA -0.168 44.971 45.100 0.064 0.000 0.924 439 G HN 1.035 nan 8.290 nan 0.000 0.540 440 K N 1.303 121.727 120.400 0.040 0.000 2.548 440 K HA 0.117 4.438 4.320 0.000 0.000 0.277 440 K C -1.762 174.851 176.600 0.021 0.000 1.001 440 K CA -0.103 56.199 56.287 0.025 0.000 1.102 440 K CB -0.523 31.986 32.500 0.017 0.000 0.848 440 K HN 0.420 nan 8.250 nan 0.000 0.487 441 P HA -0.018 nan 4.420 nan 0.000 0.266 441 P C -0.338 176.962 177.300 0.001 0.000 1.195 441 P CA 0.068 63.176 63.100 0.014 0.000 0.768 441 P CB 0.365 32.072 31.700 0.012 0.000 0.838 442 E N 1.142 121.343 120.200 0.000 0.000 3.125 442 E HA -0.232 4.118 4.350 0.000 0.000 0.311 442 E C -0.063 176.523 176.600 -0.024 0.000 1.001 442 E CA 0.994 57.386 56.400 -0.013 0.000 1.028 442 E CB 0.043 29.745 29.700 0.003 0.000 1.119 442 E HN 0.313 nan 8.360 nan 0.000 0.471 443 K N 1.988 122.366 120.400 -0.037 0.000 2.166 443 K HA 0.021 4.341 4.320 0.000 0.000 0.273 443 K C -0.371 176.220 176.600 -0.015 0.000 1.095 443 K CA -0.380 55.889 56.287 -0.031 0.000 0.985 443 K CB 0.005 32.484 32.500 -0.034 0.000 1.172 443 K HN 0.250 nan 8.250 nan 0.000 0.401 444 L N 5.119 126.336 121.223 -0.010 0.000 2.841 444 L HA -0.151 4.189 4.340 0.000 0.000 0.282 444 L C -0.717 176.151 176.870 -0.004 0.000 1.130 444 L CA 0.953 55.790 54.840 -0.005 0.000 0.996 444 L CB -0.215 41.842 42.059 -0.004 0.000 1.364 444 L HN 0.387 nan 8.230 nan 0.000 0.466 445 L N 4.743 125.964 121.223 -0.003 0.000 2.283 445 L HA 0.246 4.586 4.340 0.000 0.000 0.287 445 L C 0.921 177.784 176.870 -0.012 0.000 1.073 445 L CA -0.197 54.639 54.840 -0.006 0.000 0.822 445 L CB 0.460 42.514 42.059 -0.008 0.000 1.186 445 L HN 0.579 nan 8.230 nan 0.000 0.436 446 T N 4.943 119.491 114.554 -0.010 0.000 2.784 446 T HA 0.349 4.699 4.350 0.000 0.000 0.291 446 T C 0.063 174.751 174.700 -0.019 0.000 0.942 446 T CA -0.048 62.046 62.100 -0.011 0.000 1.161 446 T CB -0.257 68.608 68.868 -0.006 0.000 0.885 446 T HN 0.349 nan 8.240 nan 0.000 0.534 447 I N 4.342 124.899 120.570 -0.021 0.000 2.498 447 I HA 0.475 4.645 4.170 0.000 0.000 0.301 447 I C 1.427 177.529 176.117 -0.025 0.000 0.984 447 I CA -0.942 60.339 61.300 -0.032 0.000 1.204 447 I CB 1.582 39.563 38.000 -0.032 0.000 1.362 447 I HN 0.755 nan 8.210 nan 0.000 0.471 448 G N 4.184 112.965 108.800 -0.031 0.000 2.525 448 G HA2 0.221 4.181 3.960 0.000 0.000 0.276 448 G HA3 0.221 4.181 3.960 0.000 0.000 0.276 448 G C -2.003 172.890 174.900 -0.011 0.000 1.388 448 G CA -0.442 44.648 45.100 -0.018 0.000 1.050 448 G HN 0.441 nan 8.290 nan 0.000 0.520 449 P HA 0.141 nan 4.420 nan 0.000 0.228 449 P C 1.842 179.143 177.300 0.002 0.000 1.166 449 P CA 0.566 63.667 63.100 0.001 0.000 0.812 449 P CB 0.525 32.228 31.700 0.005 0.000 0.857 450 S N -1.153 114.549 115.700 0.004 0.000 2.481 450 S HA 0.328 4.798 4.470 0.000 0.000 0.231 450 S C 1.124 175.725 174.600 0.002 0.000 0.996 450 S CA 1.055 59.260 58.200 0.009 0.000 0.942 450 S CB -0.589 62.623 63.200 0.019 0.000 0.768 450 S HN 0.434 nan 8.310 nan 0.000 0.520 451 G N 0.690 109.485 108.800 -0.009 0.000 2.343 451 G HA2 -0.023 3.938 3.960 0.000 0.000 0.562 451 G HA3 -0.023 3.938 3.960 0.000 0.000 0.562 451 G C -2.951 171.931 174.900 -0.031 0.000 1.269 451 G CA -0.621 44.472 45.100 -0.013 0.000 1.011 451 G HN 0.011 nan 8.290 nan 0.000 0.498 452 P HA 0.110 nan 4.420 nan 0.000 0.245 452 P C 1.627 178.895 177.300 -0.052 0.000 1.206 452 P CA 0.542 63.617 63.100 -0.042 0.000 0.781 452 P CB 0.212 31.900 31.700 -0.021 0.000 0.994 453 R N 1.203 121.685 120.500 -0.029 0.000 2.117 453 R HA -0.100 4.240 4.340 0.000 0.000 0.243 453 R C 1.698 177.966 176.300 -0.052 0.000 1.143 453 R CA 1.613 57.708 56.100 -0.008 0.000 0.968 453 R CB -1.776 28.538 30.300 0.023 0.000 0.863 453 R HN 0.170 nan 8.270 nan 0.000 0.444 454 L N 1.192 122.335 121.223 -0.132 0.000 2.610 454 L HA 0.067 4.407 4.340 0.000 0.000 0.232 454 L C 0.728 177.016 176.870 -0.970 0.000 1.149 454 L CA 0.626 55.258 54.840 -0.346 0.000 0.872 454 L CB -0.935 41.013 42.059 -0.186 0.000 0.992 454 L HN 0.314 nan 8.230 nan 0.000 0.447 455 T N -4.181 110.066 114.554 -0.510 0.000 2.899 455 T HA 0.243 4.593 4.350 0.000 0.000 0.284 455 T C -1.786 172.760 174.700 -0.257 0.000 1.004 455 T CA -1.804 60.033 62.100 -0.439 0.000 1.043 455 T CB 1.706 70.470 68.868 -0.173 0.000 1.013 455 T HN -0.210 nan 8.240 nan 0.000 0.518 456 P HA -0.010 nan 4.420 nan 0.000 0.216 456 P C 1.601 178.993 177.300 0.153 0.000 1.153 456 P CA 0.824 63.980 63.100 0.093 0.000 0.848 456 P CB 0.063 31.844 31.700 0.135 0.000 0.787 457 R N -0.505 120.075 120.500 0.133 0.000 2.193 457 R HA -0.032 4.308 4.340 0.000 0.000 0.229 457 R C 2.151 178.547 176.300 0.160 0.000 1.110 457 R CA 1.480 57.689 56.100 0.181 0.000 0.988 457 R CB -0.816 29.561 30.300 0.128 0.000 0.871 457 R HN 0.211 nan 8.270 nan 0.000 0.458 458 G N -1.629 107.228 108.800 0.094 0.000 2.662 458 G HA2 -0.081 3.879 3.960 0.000 0.000 0.212 458 G HA3 -0.081 3.879 3.960 0.000 0.000 0.212 458 G C 1.236 176.208 174.900 0.120 0.000 1.141 458 G CA -0.045 45.099 45.100 0.073 0.000 0.797 458 G HN 0.189 nan 8.290 nan 0.000 0.531 459 S N 0.263 116.065 115.700 0.169 0.000 2.387 459 S HA -0.012 4.459 4.470 0.000 0.000 0.226 459 S C 1.842 176.632 174.600 0.316 0.000 1.026 459 S CA 0.462 58.804 58.200 0.237 0.000 0.972 459 S CB -0.284 63.081 63.200 0.275 0.000 0.814 459 S HN 0.348 nan 8.310 nan 0.000 0.477 460 F N 2.898 122.920 119.950 0.119 0.000 2.069 460 F HA -0.106 4.421 4.527 0.000 0.000 0.298 460 F C 2.045 177.968 175.800 0.206 0.000 1.113 460 F CA 1.569 59.636 58.000 0.111 0.000 1.214 460 F CB -0.982 38.033 39.000 0.024 0.000 0.978 460 F HN 0.240 nan 8.300 nan 0.000 0.474 461 E N 0.111 120.305 120.200 -0.011 0.000 2.160 461 E HA -0.203 4.148 4.350 0.000 0.000 0.195 461 E C 2.197 178.781 176.600 -0.026 0.000 0.991 461 E CA 1.141 57.459 56.400 -0.138 0.000 0.810 461 E CB -0.457 29.202 29.700 -0.069 0.000 0.742 461 E HN 0.467 nan 8.360 nan 0.000 0.466 462 A N 0.280 123.149 122.820 0.082 0.000 2.167 462 A HA -0.114 4.207 4.320 0.000 0.000 0.214 462 A C 1.685 179.348 177.584 0.132 0.000 1.151 462 A CA 0.559 52.650 52.037 0.089 0.000 0.735 462 A CB -0.581 18.489 19.000 0.117 0.000 0.802 462 A HN 0.538 nan 8.150 nan 0.000 0.467 463 W N 0.445 121.747 121.300 0.003 0.000 2.630 463 W HA 0.095 4.755 4.660 0.000 0.000 0.271 463 W C 1.632 178.124 176.519 -0.044 0.000 1.244 463 W CA 1.056 58.407 57.345 0.011 0.000 1.353 463 W CB 0.159 29.673 29.460 0.090 0.000 1.080 463 W HN 0.379 nan 8.180 nan 0.000 0.594 464 E N 0.585 120.711 120.200 -0.124 0.000 2.038 464 E HA -0.335 4.015 4.350 0.000 0.000 0.195 464 E C 1.952 178.317 176.600 -0.392 0.000 1.000 464 E CA 1.842 57.989 56.400 -0.422 0.000 0.803 464 E CB -0.541 28.982 29.700 -0.295 0.000 0.750 464 E HN 0.404 nan 8.360 nan 0.000 0.448 465 E N 0.628 120.691 120.200 -0.228 0.000 2.219 465 E HA -0.209 4.141 4.350 0.000 0.000 0.198 465 E C 1.979 178.459 176.600 -0.200 0.000 0.998 465 E CA 1.011 57.311 56.400 -0.166 0.000 0.818 465 E CB 0.177 29.821 29.700 -0.094 0.000 0.741 465 E HN 0.076 nan 8.360 nan 0.000 0.477 466 V N 0.406 120.143 119.914 -0.294 0.000 2.407 466 V HA -0.184 3.937 4.120 0.000 0.000 0.245 466 V C 2.385 178.220 176.094 -0.432 0.000 1.041 466 V CA 1.525 63.635 62.300 -0.317 0.000 1.040 466 V CB 0.380 32.026 31.823 -0.295 0.000 0.671 466 V HN 0.438 nan 8.190 nan 0.000 0.455 467 V N -2.558 117.000 119.914 -0.594 0.000 2.685 467 V HA 0.204 4.324 4.120 0.000 0.000 0.244 467 V C 1.242 177.228 176.094 -0.180 0.000 1.054 467 V CA 0.027 62.029 62.300 -0.498 0.000 1.076 467 V CB -0.585 30.818 31.823 -0.700 0.000 0.725 467 V HN 0.314 nan 8.190 nan 0.000 0.467 468 R N 1.955 122.319 120.500 -0.227 0.000 2.481 468 R HA 0.165 4.505 4.340 0.000 0.000 0.291 468 R C 1.406 177.736 176.300 0.051 0.000 0.934 468 R CA 1.287 57.337 56.100 -0.083 0.000 1.116 468 R CB -0.732 29.505 30.300 -0.104 0.000 0.895 468 R HN 1.041 nan 8.270 nan 0.000 0.410 469 G N 1.936 110.765 108.800 0.048 0.000 2.213 469 G HA2 -0.241 3.719 3.960 0.000 0.000 0.236 469 G HA3 -0.241 3.719 3.960 0.000 0.000 0.236 469 G C -0.187 174.667 174.900 -0.077 0.000 0.991 469 G CA 0.147 45.253 45.100 0.010 0.000 0.629 469 G HN 0.685 nan 8.290 nan 0.000 0.517 470 H N 0.530 119.582 119.070 -0.031 0.000 2.651 470 H HA 0.768 5.324 4.556 0.000 0.000 0.353 470 H C 0.483 175.798 175.328 -0.021 0.000 1.178 470 H CA 0.159 56.192 56.048 -0.024 0.000 1.224 470 H CB 1.780 31.508 29.762 -0.057 0.000 1.702 470 H HN 0.460 nan 8.280 nan 0.000 0.550 471 S N -0.221 115.523 115.700 0.075 0.000 2.607 471 S HA 0.375 4.845 4.470 0.000 0.000 0.303 471 S C -0.425 174.116 174.600 -0.099 0.000 1.086 471 S CA -1.057 57.129 58.200 -0.023 0.000 0.995 471 S CB 1.273 64.418 63.200 -0.091 0.000 1.084 471 S HN 0.541 nan 8.310 nan 0.000 0.507 472 T N 4.281 118.745 114.554 -0.150 0.000 2.831 472 T HA 0.212 4.563 4.350 0.000 0.000 0.291 472 T C -2.229 172.247 174.700 -0.372 0.000 0.981 472 T CA -0.002 61.986 62.100 -0.187 0.000 1.174 472 T CB -0.450 68.319 68.868 -0.165 0.000 0.929 472 T HN 0.492 nan 8.240 nan 0.000 0.532 473 P HA -0.030 nan 4.420 nan 0.000 0.269 473 P C -0.609 176.470 177.300 -0.368 0.000 1.205 473 P CA -0.080 62.850 63.100 -0.283 0.000 0.780 473 P CB 0.384 31.987 31.700 -0.162 0.000 0.858 474 W N 1.288 122.534 121.300 -0.091 0.000 2.358 474 W HA 0.245 4.905 4.660 0.001 0.000 0.307 474 W C 0.481 176.910 176.519 -0.150 0.000 1.203 474 W CA -0.130 57.141 57.345 -0.122 0.000 1.279 474 W CB -0.102 29.292 29.460 -0.110 0.000 1.264 474 W HN 0.229 nan 8.180 nan 0.000 0.474 475 S N 1.836 117.565 115.700 0.048 0.000 2.550 475 S HA -0.183 4.287 4.470 0.000 0.000 0.285 475 S C 1.367 175.958 174.600 -0.014 0.000 1.326 475 S CA -0.258 57.937 58.200 -0.009 0.000 1.037 475 S CB 0.715 63.906 63.200 -0.015 0.000 0.838 475 S HN 0.667 nan 8.310 nan 0.000 0.519 476 E N 1.679 121.865 120.200 -0.023 0.000 2.209 476 E HA -0.148 4.203 4.350 0.000 0.000 0.196 476 E C 1.643 178.222 176.600 -0.036 0.000 0.993 476 E CA 1.930 58.316 56.400 -0.023 0.000 0.819 476 E CB -0.249 29.452 29.700 0.001 0.000 0.745 476 E HN 0.719 nan 8.360 nan 0.000 0.477 477 T N 0.438 114.973 114.554 -0.032 0.000 2.809 477 T HA -0.075 4.276 4.350 0.000 0.000 0.260 477 T C 1.035 175.689 174.700 -0.076 0.000 1.039 477 T CA 0.977 63.051 62.100 -0.043 0.000 1.141 477 T CB -0.323 68.528 68.868 -0.029 0.000 0.869 477 T HN 0.191 nan 8.240 nan 0.000 0.437 478 D N 1.895 122.250 120.400 -0.076 0.000 2.108 478 D HA -0.081 4.559 4.640 0.000 0.000 0.190 478 D C 2.155 178.327 176.300 -0.214 0.000 0.995 478 D CA 0.776 54.695 54.000 -0.135 0.000 0.834 478 D CB -0.614 40.174 40.800 -0.020 0.000 0.967 478 D HN 0.156 nan 8.370 nan 0.000 0.446 479 L N 0.456 121.561 121.223 -0.196 0.000 2.197 479 L HA -0.205 4.135 4.340 0.000 0.000 0.215 479 L C 2.289 179.045 176.870 -0.190 0.000 1.095 479 L CA 1.334 56.017 54.840 -0.262 0.000 0.764 479 L CB -0.834 41.066 42.059 -0.265 0.000 0.897 479 L HN 0.009 nan 8.230 nan 0.000 0.436 480 A N -0.176 122.563 122.820 -0.135 0.000 1.898 480 A HA -0.097 4.223 4.320 0.000 0.000 0.214 480 A C 2.212 179.743 177.584 -0.089 0.000 1.183 480 A CA 0.742 52.722 52.037 -0.095 0.000 0.622 480 A CB -0.286 18.674 19.000 -0.067 0.000 0.824 480 A HN 0.281 nan 8.150 nan 0.000 0.444 481 I N -0.002 120.506 120.570 -0.104 0.000 2.142 481 I HA -0.291 3.879 4.170 0.000 0.000 0.240 481 I C 2.999 179.071 176.117 -0.074 0.000 1.078 481 I CA 1.132 62.379 61.300 -0.087 0.000 1.343 481 I CB -0.409 37.524 38.000 -0.112 0.000 1.046 481 I HN 0.350 nan 8.210 nan 0.000 0.405 482 A N 0.016 122.747 122.820 -0.149 0.000 1.997 482 A HA -0.270 4.050 4.320 0.000 0.000 0.221 482 A C 2.287 179.859 177.584 -0.021 0.000 1.172 482 A CA 1.876 53.871 52.037 -0.069 0.000 0.645 482 A CB -0.496 18.370 19.000 -0.224 0.000 0.813 482 A HN 0.401 nan 8.150 nan 0.000 0.454 483 E N -0.228 119.931 120.200 -0.067 0.000 2.076 483 E HA -0.092 4.258 4.350 0.000 0.000 0.190 483 E C 1.738 178.321 176.600 -0.029 0.000 0.979 483 E CA 0.756 57.125 56.400 -0.052 0.000 0.807 483 E CB -0.161 29.497 29.700 -0.071 0.000 0.761 483 E HN 0.329 nan 8.360 nan 0.000 0.454 484 K N 0.695 121.079 120.400 -0.027 0.000 2.362 484 K HA -0.026 4.295 4.320 0.000 0.000 0.200 484 K C 2.140 178.735 176.600 -0.009 0.000 1.046 484 K CA 0.173 56.449 56.287 -0.018 0.000 0.952 484 K CB -0.237 32.251 32.500 -0.019 0.000 0.753 484 K HN 0.223 nan 8.250 nan 0.000 0.466 485 L N 0.344 121.572 121.223 0.009 0.000 2.084 485 L HA -0.060 4.281 4.340 0.000 0.000 0.202 485 L C 2.610 179.468 176.870 -0.019 0.000 1.074 485 L CA 0.886 55.733 54.840 0.013 0.000 0.757 485 L CB -0.228 41.886 42.059 0.093 0.000 0.918 485 L HN 0.084 nan 8.230 nan 0.000 0.444 486 R N -0.221 120.285 120.500 0.011 0.000 2.211 486 R HA -0.220 4.120 4.340 0.000 0.000 0.240 486 R C 1.978 178.282 176.300 0.007 0.000 1.144 486 R CA 1.313 57.426 56.100 0.023 0.000 0.992 486 R CB -0.102 30.213 30.300 0.026 0.000 0.869 486 R HN 0.278 nan 8.270 nan 0.000 0.462 487 L N 0.946 122.163 121.223 -0.009 0.000 2.179 487 L HA -0.063 4.278 4.340 0.000 0.000 0.208 487 L C 1.472 178.331 176.870 -0.018 0.000 1.096 487 L CA 1.627 56.461 54.840 -0.010 0.000 0.779 487 L CB -0.485 41.566 42.059 -0.014 0.000 0.922 487 L HN 0.112 nan 8.230 nan 0.000 0.443 488 D N -1.002 119.375 120.400 -0.037 0.000 2.162 488 D HA -0.055 4.585 4.640 0.000 0.000 0.203 488 D C 2.297 178.550 176.300 -0.078 0.000 0.967 488 D CA 0.915 54.884 54.000 -0.052 0.000 0.840 488 D CB 0.138 40.901 40.800 -0.063 0.000 0.972 488 D HN 0.230 nan 8.370 nan 0.000 0.482 489 L N -0.273 120.872 121.223 -0.130 0.000 2.270 489 L HA 0.109 4.449 4.340 0.000 0.000 0.210 489 L C 2.274 179.144 176.870 0.001 0.000 1.104 489 L CA 0.323 55.036 54.840 -0.212 0.000 0.804 489 L CB -0.254 41.384 42.059 -0.702 0.000 0.937 489 L HN -0.017 nan 8.230 nan 0.000 0.450 490 M N -0.155 119.486 119.600 0.068 0.000 2.460 490 M HA -0.181 4.299 4.480 0.000 0.000 0.263 490 M C 2.001 178.338 176.300 0.062 0.000 1.071 490 M CA 1.263 56.627 55.300 0.106 0.000 1.096 490 M CB -0.028 32.614 32.600 0.070 0.000 1.408 490 M HN 0.178 nan 8.290 nan 0.000 0.463 491 E N 0.716 120.930 120.200 0.023 0.000 2.042 491 E HA -0.107 4.243 4.350 0.000 0.000 0.189 491 E C 1.630 178.240 176.600 0.018 0.000 0.974 491 E CA 1.065 57.474 56.400 0.014 0.000 0.806 491 E CB -0.073 29.627 29.700 0.000 0.000 0.769 491 E HN 0.172 nan 8.360 nan 0.000 0.451 492 L N 0.612 121.838 121.223 0.006 0.000 1.970 492 L HA -0.194 4.146 4.340 0.000 0.000 0.212 492 L C 2.506 179.392 176.870 0.027 0.000 1.071 492 L CA 1.557 56.407 54.840 0.017 0.000 0.751 492 L CB -1.126 40.920 42.059 -0.020 0.000 0.889 492 L HN 0.373 nan 8.230 nan 0.000 0.432 493 C N -0.941 118.372 119.300 0.022 0.000 2.413 493 C HA -0.140 4.320 4.460 0.000 0.000 0.292 493 C C 2.791 177.809 174.990 0.045 0.000 1.435 493 C CA 0.510 59.525 59.018 -0.005 0.000 1.791 493 C CB -1.269 26.448 27.740 -0.039 0.000 1.784 493 C HN 0.478 nan 8.230 nan 0.000 0.548 494 L N 0.125 121.381 121.223 0.054 0.000 2.189 494 L HA 0.074 4.415 4.340 0.000 0.000 0.199 494 L C 2.403 179.266 176.870 -0.011 0.000 1.074 494 L CA 1.070 55.936 54.840 0.043 0.000 0.783 494 L CB -0.382 41.700 42.059 0.038 0.000 0.955 494 L HN 0.246 nan 8.230 nan 0.000 0.460 495 N N -1.058 117.619 118.700 -0.038 0.000 2.081 495 N HA -0.056 4.684 4.740 0.000 0.000 0.191 495 N C 0.283 175.626 175.510 -0.277 0.000 1.053 495 N CA 1.137 54.094 53.050 -0.156 0.000 0.846 495 N CB -0.156 38.258 38.487 -0.123 0.000 1.032 495 N HN 0.366 nan 8.380 nan 0.000 0.431 496 H N 0.000 119.071 119.070 0.002 0.000 2.539 496 H HA 0.000 4.556 4.556 0.000 0.000 0.296 496 H CA 0.000 56.048 56.048 -0.000 0.000 1.023 496 H CB 0.000 29.760 29.762 -0.003 0.000 1.292 496 H HN 0.000 nan 8.280 nan 0.000 0.496