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 1hkw_1_B DATA FIRST_RESID 3 DATA SEQUENCE ELLHLAPNVW PRNTTRDEVG VVCIAGIPLT QLAQEYGTPL FVIDEDDFRS DATA SEQUENCE RCRETAAAFG SGANVHYAAK AFLCSEVARW ISEEGLCLDV CTGGELAVAL DATA SEQUENCE HASFPPERIT LHGNNKSVSE LTAAVKAGVG HIVVDSXTEI ERLDAIAGEA DATA SEQUENCE GIVQDVLVRL TVGVEAHTHE FISTAHEDQK FGLSVASGAA XAAVRRVFAT DATA SEQUENCE DHLRLVGLHS HIGSQIFDVD GFELAAHRVI GLLRDVVGEF GPEKTAQIAT DATA SEQUENCE VDLGGGLGIS YLPSDDPPPI AELAAKLGTI VSDESTAVGL PTPKLVVEPG DATA SEQUENCE RAIAGPGTIT LYEVGTVKDV DVSATAHRRY VSVDGGXSDN IRTALYGAQY DATA SEQUENCE DVRLVSRVSD APPVPARLVG KHCESGDIIV RDTWVPDDIR PGDLVAVAAT DATA SEQUENCE GAYCYSLSSR YNXVGRPAVV AVHAGNARLV LRRETVDDLL SLEV 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.600 176.600 0.000 0.000 1.382 3 E CA 0.000 56.391 56.400 -0.014 0.000 0.976 3 E CB 0.000 29.683 29.700 -0.028 0.000 0.812 4 L N 2.207 123.441 121.223 0.019 0.000 2.688 4 L HA 0.263 4.603 4.340 -0.001 0.000 0.234 4 L C 1.338 178.231 176.870 0.040 0.000 1.192 4 L CA 0.038 54.908 54.840 0.049 0.000 0.984 4 L CB 0.319 42.423 42.059 0.074 0.000 1.232 4 L HN 0.216 nan 8.230 nan 0.000 0.465 5 L N -1.488 119.754 121.223 0.031 0.000 2.408 5 L HA 0.133 4.473 4.340 -0.001 0.000 0.215 5 L C 1.372 178.233 176.870 -0.015 0.000 1.081 5 L CA 0.369 55.206 54.840 -0.004 0.000 0.840 5 L CB -0.041 42.018 42.059 -0.001 0.000 1.002 5 L HN 0.185 nan 8.230 nan 0.000 0.468 6 H N 0.980 120.024 119.070 -0.043 0.000 2.964 6 H HA 0.122 4.677 4.556 -0.001 0.000 0.328 6 H C -0.965 174.327 175.328 -0.060 0.000 1.030 6 H CA 0.103 56.126 56.048 -0.041 0.000 1.445 6 H CB 0.912 30.669 29.762 -0.009 0.000 1.449 6 H HN 0.015 nan 8.280 nan 0.000 0.581 7 L N 5.328 126.278 121.223 -0.454 0.000 2.335 7 L HA 0.262 4.602 4.340 -0.001 0.000 0.268 7 L C 0.102 176.833 176.870 -0.232 0.000 1.037 7 L CA -0.329 54.251 54.840 -0.432 0.000 0.895 7 L CB 0.489 42.148 42.059 -0.665 0.000 1.266 7 L HN 0.677 nan 8.230 nan 0.000 0.439 8 A N 6.420 129.375 122.820 0.225 0.000 2.545 8 A HA 0.343 4.663 4.320 -0.001 0.000 0.253 8 A C -1.277 176.476 177.584 0.282 0.000 1.074 8 A CA -0.608 51.637 52.037 0.346 0.000 0.760 8 A CB -0.235 18.992 19.000 0.378 0.000 1.005 8 A HN 0.623 nan 8.150 nan 0.000 0.506 9 P HA -0.162 nan 4.420 nan 0.000 0.222 9 P C 0.866 178.241 177.300 0.126 0.000 1.147 9 P CA 1.181 64.361 63.100 0.134 0.000 0.790 9 P CB -0.020 31.733 31.700 0.087 0.000 0.780 10 N N -0.062 118.708 118.700 0.117 0.000 2.457 10 N HA -0.043 4.697 4.740 -0.001 0.000 0.180 10 N C 1.333 176.863 175.510 0.034 0.000 1.050 10 N CA 0.715 53.800 53.050 0.058 0.000 0.906 10 N CB -0.887 37.619 38.487 0.032 0.000 0.968 10 N HN 0.077 nan 8.380 nan 0.000 0.445 11 V N -0.560 119.399 119.914 0.076 0.000 2.521 11 V HA 0.136 4.256 4.120 -0.001 0.000 0.239 11 V C 0.587 176.595 176.094 -0.143 0.000 1.053 11 V CA 0.258 62.529 62.300 -0.049 0.000 1.073 11 V CB -0.391 31.415 31.823 -0.027 0.000 0.746 11 V HN 0.119 nan 8.190 nan 0.000 0.476 12 W N 0.435 121.750 121.300 0.025 0.000 2.161 12 W HA 0.408 5.067 4.660 -0.001 0.000 0.344 12 W C -2.092 174.435 176.519 0.014 0.000 1.262 12 W CA -2.027 55.331 57.345 0.022 0.000 1.270 12 W CB -0.799 28.669 29.460 0.012 0.000 1.126 12 W HN 0.022 nan 8.180 nan 0.000 0.598 13 P HA 0.045 nan 4.420 nan 0.000 0.270 13 P C 0.691 178.071 177.300 0.134 0.000 1.227 13 P CA 0.028 63.217 63.100 0.148 0.000 0.788 13 P CB 0.640 32.431 31.700 0.153 0.000 0.926 14 R N 0.688 121.243 120.500 0.091 0.000 2.153 14 R HA 0.040 4.380 4.340 -0.001 0.000 0.218 14 R C 0.407 176.741 176.300 0.058 0.000 1.072 14 R CA 0.865 57.006 56.100 0.068 0.000 0.990 14 R CB -0.122 30.208 30.300 0.049 0.000 0.889 14 R HN 0.470 nan 8.270 nan 0.000 0.452 15 N N 0.943 119.681 118.700 0.062 0.000 2.558 15 N HA -0.011 4.729 4.740 -0.001 0.000 0.281 15 N C -0.584 174.954 175.510 0.047 0.000 1.219 15 N CA 0.204 53.282 53.050 0.046 0.000 0.942 15 N CB 1.167 39.681 38.487 0.045 0.000 1.241 15 N HN 0.033 nan 8.380 nan 0.000 0.511 16 T N -0.601 113.985 114.554 0.052 0.000 2.902 16 T HA 0.523 4.872 4.350 -0.001 0.000 0.283 16 T C -0.318 174.371 174.700 -0.019 0.000 1.009 16 T CA 0.075 62.196 62.100 0.036 0.000 1.051 16 T CB 1.520 70.445 68.868 0.095 0.000 0.999 16 T HN -0.019 nan 8.240 nan 0.000 0.474 17 T N 3.252 117.778 114.554 -0.046 0.000 2.885 17 T HA 0.470 4.820 4.350 -0.001 0.000 0.322 17 T C -1.267 173.389 174.700 -0.073 0.000 1.387 17 T CA -0.717 61.351 62.100 -0.053 0.000 1.041 17 T CB 1.468 70.320 68.868 -0.027 0.000 1.287 17 T HN 0.604 nan 8.240 nan 0.000 0.491 18 R N 1.874 122.331 120.500 -0.072 0.000 2.343 18 R HA 0.354 4.693 4.340 -0.001 0.000 0.320 18 R C -0.767 175.507 176.300 -0.043 0.000 0.956 18 R CA -0.871 55.190 56.100 -0.066 0.000 0.836 18 R CB 0.946 31.199 30.300 -0.079 0.000 1.151 18 R HN 0.620 nan 8.270 nan 0.000 0.450 19 D N 2.650 123.029 120.400 -0.034 0.000 2.860 19 D HA -0.168 4.472 4.640 -0.001 0.000 0.210 19 D C 0.948 177.234 176.300 -0.024 0.000 1.139 19 D CA 0.922 54.907 54.000 -0.025 0.000 0.821 19 D CB 0.749 41.536 40.800 -0.021 0.000 1.196 19 D HN 0.487 nan 8.370 nan 0.000 0.522 20 E N 0.829 121.019 120.200 -0.018 0.000 2.086 20 E HA -0.199 4.151 4.350 -0.001 0.000 0.200 20 E C 1.773 178.364 176.600 -0.015 0.000 1.012 20 E CA 0.951 57.342 56.400 -0.015 0.000 0.812 20 E CB -0.299 29.394 29.700 -0.012 0.000 0.743 20 E HN 0.305 nan 8.360 nan 0.000 0.453 21 V N -0.382 119.524 119.914 -0.014 0.000 3.573 21 V HA 0.204 4.324 4.120 -0.001 0.000 0.270 21 V C 1.285 177.369 176.094 -0.016 0.000 1.221 21 V CA 1.341 63.634 62.300 -0.012 0.000 1.163 21 V CB -0.533 31.285 31.823 -0.009 0.000 0.847 21 V HN 0.524 nan 8.190 nan 0.000 0.468 22 G N -0.170 108.616 108.800 -0.023 0.000 2.157 22 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.248 22 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.248 22 G C 0.186 175.063 174.900 -0.037 0.000 0.979 22 G CA 0.187 45.268 45.100 -0.032 0.000 0.650 22 G HN 0.699 nan 8.290 nan 0.000 0.529 23 V N 0.904 120.800 119.914 -0.029 0.000 2.740 23 V HA 0.346 4.465 4.120 -0.001 0.000 0.303 23 V C 1.346 177.414 176.094 -0.043 0.000 1.054 23 V CA -0.179 62.104 62.300 -0.029 0.000 1.106 23 V CB 1.631 33.445 31.823 -0.014 0.000 0.957 23 V HN 0.267 nan 8.190 nan 0.000 0.486 24 V N 3.869 123.749 119.914 -0.056 0.000 2.607 24 V HA 0.281 4.400 4.120 -0.001 0.000 0.289 24 V C 0.165 176.237 176.094 -0.037 0.000 1.053 24 V CA -0.203 62.050 62.300 -0.079 0.000 0.996 24 V CB 1.280 33.018 31.823 -0.141 0.000 0.995 24 V HN 1.031 nan 8.190 nan 0.000 0.476 25 C N 5.784 125.065 119.300 -0.032 0.000 2.712 25 C HA 0.735 5.195 4.460 -0.001 0.000 0.308 25 C C -0.364 174.634 174.990 0.013 0.000 1.201 25 C CA -0.738 58.278 59.018 -0.003 0.000 1.554 25 C CB 1.198 28.934 27.740 -0.007 0.000 2.117 25 C HN 0.824 nan 8.230 nan 0.000 0.480 26 I N -0.156 120.436 120.570 0.036 0.000 2.769 26 I HA 0.694 4.863 4.170 -0.001 0.000 0.298 26 I C 0.376 176.519 176.117 0.044 0.000 1.128 26 I CA -0.429 60.900 61.300 0.048 0.000 1.031 26 I CB 1.422 39.470 38.000 0.079 0.000 1.235 26 I HN 1.017 nan 8.210 nan 0.000 0.423 27 A N 3.723 126.566 122.820 0.038 0.000 2.783 27 A HA -0.053 4.266 4.320 -0.001 0.000 0.292 27 A C 1.555 179.143 177.584 0.008 0.000 1.495 27 A CA 1.660 53.712 52.037 0.024 0.000 0.787 27 A CB -2.133 16.889 19.000 0.038 0.000 1.017 27 A HN 2.776 nan 8.150 nan 0.000 0.516 28 G N -2.491 106.313 108.800 0.006 0.000 2.184 28 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.264 28 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.264 28 G C 0.127 175.032 174.900 0.009 0.000 0.975 28 G CA 0.499 45.600 45.100 0.000 0.000 0.642 28 G HN 1.492 nan 8.290 nan 0.000 0.536 29 I N 1.785 122.368 120.570 0.022 0.000 2.336 29 I HA 0.297 4.466 4.170 -0.001 0.000 0.292 29 I C -2.182 173.954 176.117 0.032 0.000 0.991 29 I CA -2.370 58.950 61.300 0.032 0.000 1.227 29 I CB 1.766 39.797 38.000 0.052 0.000 1.366 29 I HN -0.159 nan 8.210 nan 0.000 0.466 30 P HA 0.044 nan 4.420 nan 0.000 0.271 30 P C 0.546 177.867 177.300 0.035 0.000 1.216 30 P CA -0.393 62.720 63.100 0.021 0.000 0.776 30 P CB 0.720 32.428 31.700 0.014 0.000 0.881 31 L N 2.640 123.882 121.223 0.031 0.000 2.141 31 L HA -0.116 4.224 4.340 -0.001 0.000 0.209 31 L C 2.233 179.130 176.870 0.046 0.000 1.094 31 L CA 2.118 56.984 54.840 0.044 0.000 0.763 31 L CB -2.127 39.955 42.059 0.038 0.000 0.908 31 L HN 0.421 nan 8.230 nan 0.000 0.437 32 T N -3.010 111.564 114.554 0.033 0.000 2.720 32 T HA -0.308 4.042 4.350 -0.001 0.000 0.268 32 T C 1.768 176.488 174.700 0.034 0.000 1.037 32 T CA 1.432 63.550 62.100 0.030 0.000 1.144 32 T CB -0.409 68.470 68.868 0.020 0.000 0.864 32 T HN 0.372 nan 8.240 nan 0.000 0.444 33 Q N 0.097 119.918 119.800 0.034 0.000 2.061 33 Q HA -0.116 4.224 4.340 -0.001 0.000 0.204 33 Q C 2.231 178.266 176.000 0.058 0.000 0.984 33 Q CA 1.135 56.957 55.803 0.033 0.000 0.846 33 Q CB -0.220 28.537 28.738 0.032 0.000 0.902 33 Q HN 0.341 nan 8.270 nan 0.000 0.421 34 L N 0.517 121.802 121.223 0.104 0.000 2.042 34 L HA -0.170 4.169 4.340 -0.001 0.000 0.210 34 L C 2.410 179.395 176.870 0.192 0.000 1.076 34 L CA 2.120 57.082 54.840 0.202 0.000 0.749 34 L CB -1.593 40.570 42.059 0.174 0.000 0.893 34 L HN 0.328 nan 8.230 nan 0.000 0.432 35 A N -1.083 121.802 122.820 0.109 0.000 1.897 35 A HA -0.226 4.093 4.320 -0.001 0.000 0.215 35 A C 2.248 179.867 177.584 0.059 0.000 1.181 35 A CA 1.430 53.519 52.037 0.088 0.000 0.620 35 A CB -0.532 18.504 19.000 0.060 0.000 0.821 35 A HN 0.580 nan 8.150 nan 0.000 0.443 36 Q N -0.250 119.568 119.800 0.030 0.000 2.124 36 Q HA -0.227 4.113 4.340 -0.001 0.000 0.202 36 Q C 1.781 177.751 176.000 -0.050 0.000 0.977 36 Q CA 1.910 57.712 55.803 -0.002 0.000 0.850 36 Q CB -0.206 28.530 28.738 -0.003 0.000 0.901 36 Q HN 0.759 nan 8.270 nan 0.000 0.429 37 E N -0.710 119.428 120.200 -0.104 0.000 2.028 37 E HA -0.140 4.210 4.350 -0.001 0.000 0.191 37 E C 1.099 177.489 176.600 -0.350 0.000 0.988 37 E CA 1.391 57.596 56.400 -0.326 0.000 0.799 37 E CB 0.087 29.425 29.700 -0.602 0.000 0.755 37 E HN 0.498 nan 8.360 nan 0.000 0.447 38 Y N -1.012 119.306 120.300 0.031 0.000 2.444 38 Y HA 0.308 4.857 4.550 -0.001 0.000 0.249 38 Y C 0.686 176.610 175.900 0.039 0.000 1.134 38 Y CA 0.022 58.144 58.100 0.038 0.000 1.261 38 Y CB 1.659 40.145 38.460 0.044 0.000 1.143 38 Y HN 0.138 nan 8.280 nan 0.000 0.523 39 G N 0.720 109.608 108.800 0.146 0.000 2.712 39 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.683 39 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.683 39 G C -0.560 174.397 174.900 0.094 0.000 1.320 39 G CA -0.566 44.596 45.100 0.104 0.000 0.847 39 G HN 0.221 nan 8.290 nan 0.000 0.553 40 T N -0.630 113.968 114.554 0.072 0.000 2.906 40 T HA 0.801 5.151 4.350 -0.001 0.000 0.295 40 T C -2.977 171.765 174.700 0.070 0.000 1.061 40 T CA -1.461 60.673 62.100 0.056 0.000 1.000 40 T CB 2.506 71.411 68.868 0.062 0.000 1.103 40 T HN 0.570 nan 8.240 nan 0.000 0.486 41 P HA 0.556 nan 4.420 nan 0.000 0.272 41 P C -1.217 176.041 177.300 -0.069 0.000 1.230 41 P CA -0.698 62.377 63.100 -0.041 0.000 0.788 41 P CB 0.430 32.103 31.700 -0.044 0.000 0.949 42 L N 1.836 122.946 121.223 -0.189 0.000 2.464 42 L HA 0.522 4.862 4.340 -0.001 0.000 0.266 42 L C -1.469 175.283 176.870 -0.196 0.000 0.965 42 L CA -0.483 54.309 54.840 -0.081 0.000 0.833 42 L CB 1.053 43.110 42.059 -0.003 0.000 1.296 42 L HN 0.111 nan 8.230 nan 0.000 0.405 43 F N 4.272 124.173 119.950 -0.082 0.000 2.396 43 F HA 0.602 5.128 4.527 -0.001 0.000 0.343 43 F C 0.096 175.832 175.800 -0.107 0.000 1.104 43 F CA -0.212 57.722 58.000 -0.109 0.000 1.161 43 F CB 1.616 40.538 39.000 -0.130 0.000 1.146 43 F HN 0.126 nan 8.300 nan 0.000 0.522 44 V N 5.619 125.590 119.914 0.096 0.000 2.447 44 V HA 0.336 4.456 4.120 -0.001 0.000 0.292 44 V C -0.240 175.900 176.094 0.077 0.000 1.021 44 V CA -0.685 61.648 62.300 0.054 0.000 0.850 44 V CB 1.477 33.323 31.823 0.039 0.000 1.005 44 V HN 0.505 nan 8.190 nan 0.000 0.426 45 I N 3.645 124.262 120.570 0.079 0.000 2.307 45 I HA 0.294 4.464 4.170 -0.001 0.000 0.289 45 I C 0.094 176.292 176.117 0.135 0.000 1.021 45 I CA -0.356 61.019 61.300 0.125 0.000 1.224 45 I CB 1.336 39.429 38.000 0.155 0.000 1.376 45 I HN 0.525 nan 8.210 nan 0.000 0.470 46 D N 6.953 127.432 120.400 0.130 0.000 2.398 46 D HA -0.068 4.572 4.640 -0.001 0.000 0.250 46 D C 1.128 177.480 176.300 0.086 0.000 1.287 46 D CA 0.407 54.471 54.000 0.106 0.000 0.992 46 D CB 0.630 41.495 40.800 0.107 0.000 1.071 46 D HN 0.625 nan 8.370 nan 0.000 0.514 47 E N 2.691 122.883 120.200 -0.014 0.000 2.110 47 E HA -0.221 4.128 4.350 -0.001 0.000 0.193 47 E C 0.654 177.075 176.600 -0.297 0.000 0.988 47 E CA 0.872 57.072 56.400 -0.333 0.000 0.804 47 E CB 0.285 29.607 29.700 -0.629 0.000 0.745 47 E HN 0.398 nan 8.360 nan 0.000 0.458 48 D N 0.647 120.977 120.400 -0.116 0.000 2.219 48 D HA -0.154 4.486 4.640 -0.001 0.000 0.205 48 D C 1.538 177.839 176.300 0.001 0.000 0.970 48 D CA 0.743 54.708 54.000 -0.059 0.000 0.851 48 D CB -0.251 40.577 40.800 0.047 0.000 0.943 48 D HN 0.318 nan 8.370 nan 0.000 0.488 49 D N -0.401 120.030 120.400 0.051 0.000 2.077 49 D HA -0.173 4.466 4.640 -0.001 0.000 0.196 49 D C 2.098 178.468 176.300 0.116 0.000 0.986 49 D CA 0.467 54.514 54.000 0.078 0.000 0.829 49 D CB -0.362 40.496 40.800 0.097 0.000 0.983 49 D HN 0.175 nan 8.370 nan 0.000 0.453 50 F N 1.646 121.592 119.950 -0.007 0.000 2.063 50 F HA -0.240 4.286 4.527 -0.001 0.000 0.298 50 F C 2.760 178.549 175.800 -0.018 0.000 1.109 50 F CA 1.944 59.963 58.000 0.031 0.000 1.212 50 F CB -0.041 39.043 39.000 0.140 0.000 0.973 50 F HN -0.111 nan 8.300 nan 0.000 0.480 51 R N -0.666 119.984 120.500 0.251 0.000 2.092 51 R HA -0.126 4.214 4.340 -0.001 0.000 0.231 51 R C 2.443 178.773 176.300 0.050 0.000 1.119 51 R CA 1.295 57.464 56.100 0.115 0.000 0.970 51 R CB -0.676 29.571 30.300 -0.088 0.000 0.864 51 R HN 0.205 nan 8.270 nan 0.000 0.440 52 S N 0.329 116.046 115.700 0.029 0.000 2.400 52 S HA -0.108 4.362 4.470 -0.001 0.000 0.232 52 S C 1.766 176.370 174.600 0.007 0.000 1.025 52 S CA 1.264 59.473 58.200 0.015 0.000 0.993 52 S CB -0.005 63.205 63.200 0.016 0.000 0.808 52 S HN 0.315 nan 8.310 nan 0.000 0.478 53 R N -0.537 119.956 120.500 -0.012 0.000 2.140 53 R HA 0.123 4.462 4.340 -0.001 0.000 0.213 53 R C 2.460 178.741 176.300 -0.031 0.000 1.059 53 R CA 0.843 56.920 56.100 -0.038 0.000 1.000 53 R CB -0.536 29.709 30.300 -0.093 0.000 0.910 53 R HN 0.368 nan 8.270 nan 0.000 0.455 54 C N 0.732 120.011 119.300 -0.035 0.000 2.398 54 C HA -0.133 4.327 4.460 -0.001 0.000 0.276 54 C C 2.566 177.584 174.990 0.047 0.000 1.222 54 C CA 1.070 60.102 59.018 0.023 0.000 1.746 54 C CB -0.772 27.020 27.740 0.086 0.000 2.039 54 C HN 0.444 nan 8.230 nan 0.000 0.470 55 R N 0.013 120.536 120.500 0.037 0.000 2.093 55 R HA -0.070 4.269 4.340 -0.001 0.000 0.224 55 R C 2.174 178.493 176.300 0.031 0.000 1.101 55 R CA 1.013 57.134 56.100 0.035 0.000 0.979 55 R CB -0.254 30.059 30.300 0.023 0.000 0.877 55 R HN 0.621 nan 8.270 nan 0.000 0.441 56 E N -0.447 119.766 120.200 0.022 0.000 2.107 56 E HA -0.096 4.254 4.350 -0.001 0.000 0.191 56 E C 1.440 178.054 176.600 0.024 0.000 0.982 56 E CA 1.228 57.635 56.400 0.013 0.000 0.809 56 E CB 0.274 29.977 29.700 0.005 0.000 0.756 56 E HN 0.215 nan 8.360 nan 0.000 0.459 57 T N 0.501 115.091 114.554 0.060 0.000 2.737 57 T HA -0.118 4.232 4.350 -0.001 0.000 0.265 57 T C 1.859 176.667 174.700 0.179 0.000 1.038 57 T CA 1.103 63.285 62.100 0.136 0.000 1.144 57 T CB -0.222 68.739 68.868 0.156 0.000 0.866 57 T HN 0.245 nan 8.240 nan 0.000 0.434 58 A N 1.743 124.638 122.820 0.125 0.000 1.865 58 A HA 0.039 4.358 4.320 -0.001 0.000 0.217 58 A C 2.672 180.312 177.584 0.093 0.000 1.191 58 A CA 2.126 54.235 52.037 0.121 0.000 0.623 58 A CB -1.334 17.718 19.000 0.087 0.000 0.826 58 A HN 0.508 nan 8.150 nan 0.000 0.444 59 A N -0.153 122.697 122.820 0.049 0.000 1.873 59 A HA 0.021 4.340 4.320 -0.001 0.000 0.218 59 A C 2.549 180.122 177.584 -0.018 0.000 1.193 59 A CA 2.757 54.803 52.037 0.015 0.000 0.629 59 A CB -1.229 17.770 19.000 -0.002 0.000 0.826 59 A HN 1.267 nan 8.150 nan 0.000 0.447 60 A N -1.923 120.856 122.820 -0.069 0.000 1.972 60 A HA 0.043 4.362 4.320 -0.001 0.000 0.219 60 A C 1.615 178.999 177.584 -0.333 0.000 1.169 60 A CA 1.340 53.233 52.037 -0.241 0.000 0.635 60 A CB -0.569 18.209 19.000 -0.371 0.000 0.810 60 A HN 0.525 nan 8.150 nan 0.000 0.446 61 F N -1.188 118.747 119.950 -0.025 0.000 2.647 61 F HA 0.391 4.918 4.527 -0.001 0.000 0.300 61 F C 1.721 177.511 175.800 -0.017 0.000 1.106 61 F CA 0.565 58.546 58.000 -0.031 0.000 1.313 61 F CB 0.546 39.518 39.000 -0.046 0.000 1.007 61 F HN 0.361 nan 8.300 nan 0.000 0.536 62 G N 0.296 109.156 108.800 0.100 0.000 2.199 62 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.254 62 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.254 62 G C 0.268 175.210 174.900 0.070 0.000 0.982 62 G CA 0.220 45.360 45.100 0.067 0.000 0.632 62 G HN 0.577 nan 8.290 nan 0.000 0.529 63 S N -2.218 113.538 115.700 0.092 0.000 2.675 63 S HA 0.518 4.988 4.470 -0.001 0.000 0.297 63 S C 1.082 175.737 174.600 0.092 0.000 1.035 63 S CA 0.663 58.910 58.200 0.079 0.000 0.852 63 S CB 0.491 63.733 63.200 0.069 0.000 1.051 63 S HN 1.625 nan 8.310 nan 0.000 0.451 64 G N 2.056 110.908 108.800 0.086 0.000 2.470 64 G HA2 0.052 4.012 3.960 -0.001 0.000 0.220 64 G HA3 0.052 4.012 3.960 -0.001 0.000 0.220 64 G C 1.450 176.421 174.900 0.117 0.000 1.121 64 G CA 1.123 46.284 45.100 0.102 0.000 0.766 64 G HN 1.179 nan 8.290 nan 0.000 0.553 65 A N 1.224 124.107 122.820 0.105 0.000 1.968 65 A HA -0.007 4.312 4.320 -0.001 0.000 0.217 65 A C 2.006 179.677 177.584 0.145 0.000 1.169 65 A CA 1.245 53.360 52.037 0.129 0.000 0.638 65 A CB -0.208 18.848 19.000 0.093 0.000 0.812 65 A HN 0.330 nan 8.150 nan 0.000 0.446 66 N N -0.112 118.623 118.700 0.058 0.000 2.449 66 N HA 0.075 4.815 4.740 -0.001 0.000 0.191 66 N C -0.527 174.838 175.510 -0.241 0.000 1.161 66 N CA 0.443 53.455 53.050 -0.064 0.000 0.863 66 N CB 0.523 39.001 38.487 -0.015 0.000 0.980 66 N HN 0.217 nan 8.380 nan 0.000 0.458 67 V N 1.215 121.063 119.914 -0.110 0.000 2.409 67 V HA 0.219 4.339 4.120 -0.001 0.000 0.290 67 V C -0.664 175.463 176.094 0.056 0.000 1.017 67 V CA -0.778 61.444 62.300 -0.129 0.000 0.841 67 V CB 0.968 32.796 31.823 0.009 0.000 1.003 67 V HN 0.185 nan 8.190 nan 0.000 0.426 68 H N 3.976 123.061 119.070 0.024 0.000 2.504 68 H HA 0.410 4.966 4.556 -0.001 0.000 0.322 68 H C -0.828 174.549 175.328 0.082 0.000 1.055 68 H CA -0.732 55.355 56.048 0.064 0.000 1.231 68 H CB 1.372 31.163 29.762 0.047 0.000 1.417 68 H HN 0.671 nan 8.280 nan 0.000 0.472 69 Y N 2.706 123.071 120.300 0.109 0.000 2.425 69 Y HA 0.270 4.820 4.550 -0.001 0.000 0.331 69 Y C -0.321 175.583 175.900 0.007 0.000 1.157 69 Y CA -1.169 56.956 58.100 0.041 0.000 1.372 69 Y CB 0.553 39.042 38.460 0.048 0.000 1.253 69 Y HN 0.713 nan 8.280 nan 0.000 0.536 70 A N 5.980 128.343 122.820 -0.762 0.000 2.478 70 A HA 0.589 4.909 4.320 -0.001 0.000 0.327 70 A C 0.967 178.007 177.584 -0.907 0.000 1.431 70 A CA -0.062 51.609 52.037 -0.609 0.000 1.014 70 A CB -0.402 18.405 19.000 -0.322 0.000 1.143 70 A HN 1.146 nan 8.150 nan 0.000 0.532 71 A N 3.070 125.507 122.820 -0.638 0.000 2.178 71 A HA -0.121 4.199 4.320 -0.001 0.000 0.218 71 A C 2.002 179.403 177.584 -0.306 0.000 1.157 71 A CA 1.536 53.299 52.037 -0.457 0.000 0.689 71 A CB -0.381 18.478 19.000 -0.235 0.000 0.787 71 A HN 0.880 nan 8.150 nan 0.000 0.465 72 K N -0.355 119.884 120.400 -0.268 0.000 2.152 72 K HA -0.024 4.295 4.320 -0.001 0.000 0.206 72 K C 1.866 178.301 176.600 -0.275 0.000 1.048 72 K CA 1.327 57.540 56.287 -0.124 0.000 0.933 72 K CB -0.521 31.995 32.500 0.026 0.000 0.721 72 K HN 0.276 nan 8.250 nan 0.000 0.447 73 A N 1.062 123.556 122.820 -0.544 0.000 2.014 73 A HA 0.103 4.422 4.320 -0.001 0.000 0.218 73 A C 0.634 178.106 177.584 -0.185 0.000 1.163 73 A CA 0.646 52.139 52.037 -0.907 0.000 0.652 73 A CB -0.219 18.392 19.000 -0.649 0.000 0.808 73 A HN 0.498 nan 8.150 nan 0.000 0.449 74 F N -2.717 117.145 119.950 -0.146 0.000 2.689 74 F HA 0.453 4.980 4.527 -0.001 0.000 0.314 74 F C -2.174 173.641 175.800 0.025 0.000 1.068 74 F CA -0.998 56.984 58.000 -0.031 0.000 1.023 74 F CB 0.732 39.733 39.000 0.003 0.000 1.264 74 F HN 0.069 nan 8.300 nan 0.000 0.474 75 L N 6.969 127.702 121.223 -0.817 0.000 2.505 75 L HA 0.885 5.224 4.340 -0.001 0.000 0.259 75 L C -1.513 174.877 176.870 -0.800 0.000 0.952 75 L CA -0.397 54.041 54.840 -0.670 0.000 0.840 75 L CB 1.910 43.791 42.059 -0.296 0.000 1.358 75 L HN 1.035 nan 8.230 nan 0.000 0.409 76 C N 0.178 119.087 119.300 -0.651 0.000 3.253 76 C HA 0.481 4.940 4.460 -0.001 0.000 0.342 76 C C 1.374 176.149 174.990 -0.358 0.000 1.306 76 C CA -0.042 58.686 59.018 -0.483 0.000 1.207 76 C CB 0.905 28.303 27.740 -0.569 0.000 1.479 76 C HN 0.836 nan 8.230 nan 0.000 0.469 77 S N 0.298 115.869 115.700 -0.214 0.000 2.387 77 S HA -0.228 4.242 4.470 -0.001 0.000 0.230 77 S C 1.564 176.032 174.600 -0.219 0.000 1.035 77 S CA 2.291 60.418 58.200 -0.122 0.000 1.014 77 S CB -0.343 62.865 63.200 0.015 0.000 0.836 77 S HN 0.958 nan 8.310 nan 0.000 0.466 78 E N 1.346 121.343 120.200 -0.338 0.000 2.051 78 E HA -0.093 4.256 4.350 -0.001 0.000 0.192 78 E C 1.898 177.966 176.600 -0.886 0.000 0.991 78 E CA 1.175 57.294 56.400 -0.468 0.000 0.799 78 E CB -0.378 29.040 29.700 -0.470 0.000 0.748 78 E HN 0.299 nan 8.360 nan 0.000 0.449 79 V N 0.869 120.200 119.914 -0.972 0.000 2.358 79 V HA -0.200 3.920 4.120 -0.001 0.000 0.246 79 V C 2.401 178.208 176.094 -0.480 0.000 1.047 79 V CA 1.622 63.268 62.300 -1.089 0.000 1.035 79 V CB -1.036 30.310 31.823 -0.796 0.000 0.658 79 V HN 0.447 nan 8.190 nan 0.000 0.452 80 A N 0.618 123.267 122.820 -0.285 0.000 1.958 80 A HA -0.330 3.989 4.320 -0.001 0.000 0.221 80 A C 2.401 180.077 177.584 0.153 0.000 1.178 80 A CA 2.522 54.533 52.037 -0.042 0.000 0.642 80 A CB -0.623 18.362 19.000 -0.025 0.000 0.816 80 A HN 0.588 nan 8.150 nan 0.000 0.453 81 R N -1.807 118.699 120.500 0.011 0.000 2.115 81 R HA -0.137 4.203 4.340 -0.001 0.000 0.226 81 R C 1.778 178.217 176.300 0.232 0.000 1.100 81 R CA 1.429 57.591 56.100 0.102 0.000 0.980 81 R CB -0.319 30.008 30.300 0.045 0.000 0.875 81 R HN 0.609 nan 8.270 nan 0.000 0.445 82 W N 0.918 122.177 121.300 -0.069 0.000 2.381 82 W HA -0.047 4.613 4.660 -0.001 0.000 0.301 82 W C 1.941 178.484 176.519 0.041 0.000 1.205 82 W CA -0.066 57.225 57.345 -0.090 0.000 1.285 82 W CB -0.632 28.646 29.460 -0.303 0.000 1.133 82 W HN 0.072 nan 8.180 nan 0.000 0.521 83 I N -0.060 120.707 120.570 0.328 0.000 2.179 83 I HA -0.262 3.908 4.170 -0.001 0.000 0.242 83 I C 2.574 178.908 176.117 0.362 0.000 1.088 83 I CA 1.733 63.235 61.300 0.337 0.000 1.357 83 I CB -1.773 36.404 38.000 0.295 0.000 1.051 83 I HN -0.027 nan 8.210 nan 0.000 0.409 84 S N 0.684 116.622 115.700 0.397 0.000 2.359 84 S HA -0.243 4.226 4.470 -0.001 0.000 0.223 84 S C 1.866 176.492 174.600 0.043 0.000 1.039 84 S CA 1.800 60.037 58.200 0.062 0.000 1.042 84 S CB -0.188 62.938 63.200 -0.124 0.000 0.915 84 S HN 0.477 nan 8.310 nan 0.000 0.439 85 E N 0.013 120.264 120.200 0.086 0.000 2.204 85 E HA -0.086 4.264 4.350 -0.001 0.000 0.195 85 E C 1.598 178.231 176.600 0.055 0.000 0.990 85 E CA 0.943 57.374 56.400 0.052 0.000 0.821 85 E CB 0.006 29.737 29.700 0.053 0.000 0.750 85 E HN 0.539 nan 8.360 nan 0.000 0.477 86 E N -0.748 119.511 120.200 0.099 0.000 2.474 86 E HA 0.074 4.424 4.350 -0.001 0.000 0.195 86 E C 1.032 177.687 176.600 0.092 0.000 1.039 86 E CA 0.497 56.952 56.400 0.090 0.000 0.881 86 E CB 1.225 30.998 29.700 0.121 0.000 0.970 86 E HN 0.343 nan 8.360 nan 0.000 0.486 87 G N 1.298 110.154 108.800 0.094 0.000 2.157 87 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.239 87 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.239 87 G C 0.303 175.274 174.900 0.118 0.000 0.982 87 G CA 0.082 45.228 45.100 0.077 0.000 0.650 87 G HN 0.167 nan 8.290 nan 0.000 0.527 88 L N -0.334 120.996 121.223 0.179 0.000 2.431 88 L HA 0.611 4.950 4.340 -0.001 0.000 0.260 88 L C 1.239 178.293 176.870 0.306 0.000 1.098 88 L CA -0.937 54.039 54.840 0.226 0.000 0.800 88 L CB 0.879 43.078 42.059 0.234 0.000 1.210 88 L HN 0.235 nan 8.230 nan 0.000 0.465 89 C N 0.784 120.274 119.300 0.316 0.000 2.352 89 C HA 0.629 5.089 4.460 -0.001 0.000 0.387 89 C C 0.041 175.148 174.990 0.195 0.000 1.294 89 C CA -0.530 58.651 59.018 0.272 0.000 2.137 89 C CB 1.350 29.142 27.740 0.086 0.000 2.146 89 C HN 0.534 nan 8.230 nan 0.000 0.559 90 L N 1.754 122.972 121.223 -0.010 0.000 2.406 90 L HA 0.462 4.802 4.340 -0.001 0.000 0.270 90 L C -1.359 175.427 176.870 -0.140 0.000 0.982 90 L CA 0.176 54.910 54.840 -0.176 0.000 0.843 90 L CB 0.930 42.562 42.059 -0.712 0.000 1.225 90 L HN 0.564 nan 8.230 nan 0.000 0.412 91 D N 4.150 124.508 120.400 -0.071 0.000 2.295 91 D HA 0.472 5.111 4.640 -0.001 0.000 0.248 91 D C -0.209 176.043 176.300 -0.079 0.000 1.154 91 D CA 0.218 54.209 54.000 -0.014 0.000 0.857 91 D CB 1.751 42.570 40.800 0.032 0.000 1.117 91 D HN 0.358 nan 8.370 nan 0.000 0.468 92 V N -0.386 119.507 119.914 -0.036 0.000 2.919 92 V HA 0.494 4.614 4.120 -0.001 0.000 0.316 92 V C 0.519 176.612 176.094 -0.000 0.000 1.077 92 V CA -0.750 61.515 62.300 -0.058 0.000 0.977 92 V CB 1.607 33.386 31.823 -0.074 0.000 1.039 92 V HN 0.662 nan 8.190 nan 0.000 0.441 93 C N 1.228 120.519 119.300 -0.015 0.000 2.553 93 C HA 0.460 4.919 4.460 -0.001 0.000 0.447 93 C C 1.159 176.164 174.990 0.026 0.000 1.351 93 C CA 1.236 60.265 59.018 0.019 0.000 2.354 93 C CB 0.209 27.948 27.740 -0.002 0.000 2.905 93 C HN 1.103 nan 8.230 nan 0.000 0.554 94 T N -1.461 113.096 114.554 0.005 0.000 2.858 94 T HA 0.495 4.845 4.350 -0.001 0.000 0.285 94 T C 1.144 175.842 174.700 -0.004 0.000 1.052 94 T CA 0.385 62.490 62.100 0.008 0.000 1.009 94 T CB 1.213 70.087 68.868 0.010 0.000 1.241 94 T HN 0.333 nan 8.240 nan 0.000 0.542 95 G N 0.676 109.474 108.800 -0.002 0.000 2.553 95 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.218 95 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.218 95 G C 1.657 176.549 174.900 -0.014 0.000 1.195 95 G CA 1.453 46.549 45.100 -0.007 0.000 0.779 95 G HN 0.877 nan 8.290 nan 0.000 0.577 96 G N 0.421 109.211 108.800 -0.017 0.000 2.469 96 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.220 96 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.220 96 G C 1.653 176.530 174.900 -0.038 0.000 1.136 96 G CA 1.190 46.274 45.100 -0.026 0.000 0.759 96 G HN 0.566 nan 8.290 nan 0.000 0.562 97 E N -0.528 119.648 120.200 -0.040 0.000 2.208 97 E HA -0.015 4.334 4.350 -0.001 0.000 0.193 97 E C 2.316 178.880 176.600 -0.060 0.000 0.988 97 E CA 0.379 56.742 56.400 -0.061 0.000 0.828 97 E CB -0.029 29.630 29.700 -0.069 0.000 0.763 97 E HN 0.413 nan 8.360 nan 0.000 0.478 98 L N 0.758 121.957 121.223 -0.039 0.000 2.127 98 L HA 0.071 4.410 4.340 -0.001 0.000 0.203 98 L C 2.198 179.061 176.870 -0.011 0.000 1.080 98 L CA 1.497 56.320 54.840 -0.028 0.000 0.768 98 L CB -0.504 41.545 42.059 -0.017 0.000 0.924 98 L HN -0.021 nan 8.230 nan 0.000 0.444 99 A N -0.289 122.524 122.820 -0.012 0.000 1.869 99 A HA -0.283 4.036 4.320 -0.001 0.000 0.218 99 A C 2.422 180.012 177.584 0.010 0.000 1.203 99 A CA 3.026 55.062 52.037 -0.001 0.000 0.638 99 A CB -1.616 17.374 19.000 -0.016 0.000 0.831 99 A HN 0.539 nan 8.150 nan 0.000 0.450 100 V N -1.640 118.260 119.914 -0.024 0.000 2.548 100 V HA 0.077 4.197 4.120 -0.001 0.000 0.249 100 V C 2.458 178.563 176.094 0.019 0.000 1.055 100 V CA 2.005 64.292 62.300 -0.020 0.000 1.065 100 V CB -0.926 30.841 31.823 -0.092 0.000 0.681 100 V HN 0.634 nan 8.190 nan 0.000 0.462 101 A N 0.111 122.923 122.820 -0.014 0.000 1.972 101 A HA -0.049 4.271 4.320 -0.001 0.000 0.219 101 A C 2.083 179.721 177.584 0.090 0.000 1.169 101 A CA 2.067 54.102 52.037 -0.003 0.000 0.635 101 A CB -0.600 18.350 19.000 -0.084 0.000 0.810 101 A HN 0.537 nan 8.150 nan 0.000 0.446 102 L N -1.081 120.187 121.223 0.076 0.000 2.072 102 L HA -0.061 4.279 4.340 -0.001 0.000 0.205 102 L C 2.289 179.210 176.870 0.085 0.000 1.079 102 L CA 2.253 57.141 54.840 0.080 0.000 0.752 102 L CB -1.259 40.834 42.059 0.056 0.000 0.906 102 L HN 0.716 nan 8.230 nan 0.000 0.436 103 H N -0.613 118.456 119.070 -0.002 0.000 2.518 103 H HA -0.076 4.479 4.556 -0.001 0.000 0.292 103 H C 1.610 176.933 175.328 -0.008 0.000 1.068 103 H CA 1.288 57.330 56.048 -0.010 0.000 1.275 103 H CB 0.319 30.068 29.762 -0.022 0.000 1.375 103 H HN 0.288 nan 8.280 nan 0.000 0.563 104 A N -0.861 121.994 122.820 0.059 0.000 2.387 104 A HA 0.294 4.614 4.320 -0.001 0.000 0.234 104 A C 1.010 178.606 177.584 0.019 0.000 1.253 104 A CA 0.333 52.379 52.037 0.015 0.000 0.894 104 A CB 0.165 19.206 19.000 0.068 0.000 0.963 104 A HN 0.334 nan 8.150 nan 0.000 0.508 105 S N -1.411 114.299 115.700 0.017 0.000 3.698 105 S HA -0.193 4.276 4.470 -0.001 0.000 0.338 105 S C -0.077 174.538 174.600 0.026 0.000 1.089 105 S CA 0.583 58.786 58.200 0.005 0.000 0.991 105 S CB -2.341 60.834 63.200 -0.043 0.000 0.909 105 S HN 0.706 nan 8.310 nan 0.000 0.485 106 F N 2.853 122.787 119.950 -0.027 0.000 2.538 106 F HA 0.327 4.854 4.527 -0.001 0.000 0.371 106 F C -1.847 173.939 175.800 -0.023 0.000 1.087 106 F CA -1.658 56.330 58.000 -0.020 0.000 1.250 106 F CB 0.424 39.415 39.000 -0.015 0.000 1.110 106 F HN -0.053 nan 8.300 nan 0.000 0.570 107 P HA 0.024 nan 4.420 nan 0.000 0.261 107 P C -2.236 175.061 177.300 -0.005 0.000 1.203 107 P CA -0.753 62.217 63.100 -0.217 0.000 0.767 107 P CB 0.424 31.925 31.700 -0.331 0.000 0.785 108 P HA -0.180 nan 4.420 nan 0.000 0.217 108 P C 1.104 178.412 177.300 0.012 0.000 1.150 108 P CA 1.330 64.463 63.100 0.055 0.000 0.832 108 P CB -0.064 31.652 31.700 0.027 0.000 0.787 109 E N -0.157 120.027 120.200 -0.026 0.000 2.279 109 E HA -0.217 4.133 4.350 -0.001 0.000 0.205 109 E C 1.520 178.057 176.600 -0.104 0.000 1.028 109 E CA 1.310 57.672 56.400 -0.063 0.000 0.830 109 E CB -0.800 28.862 29.700 -0.063 0.000 0.736 109 E HN 0.303 nan 8.360 nan 0.000 0.478 110 R N -0.213 120.271 120.500 -0.026 0.000 2.509 110 R HA 0.337 4.677 4.340 -0.001 0.000 0.300 110 R C -0.205 176.157 176.300 0.105 0.000 0.985 110 R CA -0.189 55.923 56.100 0.019 0.000 1.092 110 R CB 0.501 30.846 30.300 0.076 0.000 1.237 110 R HN 0.133 nan 8.270 nan 0.000 0.546 111 I N 0.829 121.428 120.570 0.047 0.000 2.359 111 I HA 0.191 4.360 4.170 -0.001 0.000 0.294 111 I C 0.051 176.100 176.117 -0.114 0.000 0.987 111 I CA -0.191 61.096 61.300 -0.022 0.000 1.225 111 I CB 2.024 40.041 38.000 0.029 0.000 1.366 111 I HN -0.095 nan 8.210 nan 0.000 0.466 112 T N 6.719 121.186 114.554 -0.145 0.000 2.888 112 T HA 0.559 4.908 4.350 -0.001 0.000 0.284 112 T C -0.763 173.887 174.700 -0.082 0.000 1.017 112 T CA -0.454 61.576 62.100 -0.117 0.000 1.022 112 T CB 1.831 70.606 68.868 -0.154 0.000 1.013 112 T HN 0.252 nan 8.240 nan 0.000 0.465 113 L N 3.210 124.355 121.223 -0.130 0.000 2.356 113 L HA 0.545 4.885 4.340 -0.001 0.000 0.277 113 L C -0.884 175.862 176.870 -0.206 0.000 0.996 113 L CA -0.261 54.521 54.840 -0.097 0.000 0.822 113 L CB 1.038 43.058 42.059 -0.065 0.000 1.256 113 L HN 0.657 nan 8.230 nan 0.000 0.413 114 H N 2.943 121.963 119.070 -0.084 0.000 2.771 114 H HA 0.900 5.455 4.556 -0.001 0.000 0.367 114 H C -0.460 174.854 175.328 -0.023 0.000 1.172 114 H CA -0.395 55.596 56.048 -0.095 0.000 1.186 114 H CB 2.376 32.046 29.762 -0.152 0.000 1.790 114 H HN 0.882 nan 8.280 nan 0.000 0.556 115 G N 0.849 109.768 108.800 0.199 0.000 2.307 115 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.348 115 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.348 115 G C 0.233 175.294 174.900 0.268 0.000 1.603 115 G CA -0.410 44.835 45.100 0.242 0.000 0.961 115 G HN 0.705 nan 8.290 nan 0.000 0.686 116 N N -0.099 118.788 118.700 0.310 0.000 2.515 116 N HA -0.034 4.706 4.740 -0.001 0.000 0.185 116 N C 0.610 176.138 175.510 0.029 0.000 1.109 116 N CA 1.029 54.145 53.050 0.110 0.000 0.903 116 N CB 0.422 38.769 38.487 -0.234 0.000 0.969 116 N HN 0.514 nan 8.380 nan 0.000 0.450 117 N N 0.237 118.960 118.700 0.038 0.000 2.581 117 N HA 0.132 4.872 4.740 -0.001 0.000 0.274 117 N C -1.511 174.008 175.510 0.015 0.000 1.629 117 N CA -0.386 52.669 53.050 0.009 0.000 0.884 117 N CB 0.259 38.738 38.487 -0.014 0.000 1.423 117 N HN -0.088 nan 8.380 nan 0.000 0.507 118 K N 0.586 120.999 120.400 0.022 0.000 2.484 118 K HA 0.094 4.414 4.320 -0.001 0.000 0.280 118 K C 0.383 176.985 176.600 0.004 0.000 1.013 118 K CA 0.122 56.417 56.287 0.014 0.000 1.029 118 K CB 0.354 32.859 32.500 0.010 0.000 0.902 118 K HN 0.461 nan 8.250 nan 0.000 0.481 119 S N 1.267 116.968 115.700 0.001 0.000 2.603 119 S HA 0.072 4.542 4.470 -0.001 0.000 0.268 119 S C 1.411 176.008 174.600 -0.005 0.000 1.317 119 S CA -1.029 57.169 58.200 -0.003 0.000 1.012 119 S CB 1.333 64.531 63.200 -0.003 0.000 0.926 119 S HN 0.288 nan 8.310 nan 0.000 0.539 120 V N 1.959 121.869 119.914 -0.006 0.000 2.282 120 V HA -0.220 3.900 4.120 -0.001 0.000 0.249 120 V C 3.037 179.126 176.094 -0.009 0.000 1.057 120 V CA 2.613 64.908 62.300 -0.008 0.000 1.032 120 V CB -1.389 30.429 31.823 -0.009 0.000 0.645 120 V HN 1.118 nan 8.190 nan 0.000 0.447 121 S N -0.722 114.973 115.700 -0.007 0.000 2.402 121 S HA -0.246 4.223 4.470 -0.001 0.000 0.229 121 S C 1.858 176.454 174.600 -0.006 0.000 1.021 121 S CA 1.886 60.082 58.200 -0.007 0.000 0.974 121 S CB -0.378 62.819 63.200 -0.006 0.000 0.800 121 S HN 0.707 nan 8.310 nan 0.000 0.484 122 E N 0.705 120.902 120.200 -0.005 0.000 2.077 122 E HA -0.020 4.330 4.350 -0.001 0.000 0.193 122 E C 2.096 178.692 176.600 -0.007 0.000 0.989 122 E CA 1.454 57.851 56.400 -0.005 0.000 0.800 122 E CB -0.248 29.451 29.700 -0.002 0.000 0.746 122 E HN 0.525 nan 8.360 nan 0.000 0.452 123 L N 0.275 121.493 121.223 -0.008 0.000 2.056 123 L HA -0.155 4.184 4.340 -0.001 0.000 0.207 123 L C 2.530 179.393 176.870 -0.011 0.000 1.078 123 L CA 1.154 55.988 54.840 -0.011 0.000 0.749 123 L CB -0.494 41.557 42.059 -0.012 0.000 0.901 123 L HN 0.182 nan 8.230 nan 0.000 0.433 124 T N 0.084 114.631 114.554 -0.012 0.000 2.665 124 T HA -0.247 4.102 4.350 -0.001 0.000 0.268 124 T C 1.975 176.669 174.700 -0.009 0.000 1.035 124 T CA 1.531 63.624 62.100 -0.012 0.000 1.151 124 T CB -0.303 68.558 68.868 -0.012 0.000 0.862 124 T HN 0.461 nan 8.240 nan 0.000 0.438 125 A N 1.180 123.996 122.820 -0.007 0.000 1.933 125 A HA 0.138 4.458 4.320 -0.001 0.000 0.218 125 A C 2.573 180.155 177.584 -0.002 0.000 1.175 125 A CA 1.876 53.911 52.037 -0.004 0.000 0.628 125 A CB -0.923 18.076 19.000 -0.003 0.000 0.814 125 A HN 0.531 nan 8.150 nan 0.000 0.444 126 A N -0.348 122.469 122.820 -0.004 0.000 1.970 126 A HA 0.140 4.460 4.320 -0.001 0.000 0.216 126 A C 2.305 179.888 177.584 -0.001 0.000 1.170 126 A CA 1.650 53.685 52.037 -0.003 0.000 0.645 126 A CB -0.940 18.056 19.000 -0.008 0.000 0.816 126 A HN 1.140 nan 8.150 nan 0.000 0.447 127 V N -1.682 118.230 119.914 -0.003 0.000 2.407 127 V HA -0.109 4.011 4.120 -0.001 0.000 0.245 127 V C 2.039 178.133 176.094 -0.001 0.000 1.041 127 V CA 2.257 64.556 62.300 -0.001 0.000 1.040 127 V CB -0.806 31.014 31.823 -0.006 0.000 0.671 127 V HN 0.431 nan 8.190 nan 0.000 0.455 128 K N 0.866 121.264 120.400 -0.003 0.000 2.160 128 K HA -0.145 4.175 4.320 -0.001 0.000 0.206 128 K C 1.965 178.566 176.600 0.001 0.000 1.047 128 K CA 1.847 58.132 56.287 -0.002 0.000 0.930 128 K CB -0.364 32.135 32.500 -0.003 0.000 0.720 128 K HN 0.669 nan 8.250 nan 0.000 0.450 129 A N -0.399 122.423 122.820 0.003 0.000 2.195 129 A HA 0.208 4.528 4.320 -0.001 0.000 0.210 129 A C 1.076 178.665 177.584 0.007 0.000 1.165 129 A CA 0.894 52.935 52.037 0.007 0.000 0.806 129 A CB 0.143 19.150 19.000 0.012 0.000 0.847 129 A HN 0.421 nan 8.150 nan 0.000 0.482 130 G N -0.406 108.398 108.800 0.006 0.000 2.204 130 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.244 130 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.244 130 G C 0.981 175.885 174.900 0.008 0.000 1.062 130 G CA 0.695 45.799 45.100 0.007 0.000 0.798 130 G HN 1.523 nan 8.290 nan 0.000 0.496 131 V N -2.625 117.294 119.914 0.009 0.000 2.358 131 V HA 0.357 4.477 4.120 -0.001 0.000 0.246 131 V C 2.422 178.516 176.094 0.001 0.000 1.047 131 V CA 2.928 65.231 62.300 0.005 0.000 1.035 131 V CB -0.289 31.534 31.823 -0.000 0.000 0.658 131 V HN 2.419 nan 8.190 nan 0.000 0.452 132 G N -0.193 108.626 108.800 0.032 0.000 2.475 132 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.209 132 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.209 132 G C 0.012 175.092 174.900 0.300 0.000 1.127 132 G CA 0.285 45.429 45.100 0.074 0.000 0.681 132 G HN 0.872 nan 8.290 nan 0.000 0.517 133 H N 0.269 119.299 119.070 -0.066 0.000 2.529 133 H HA 0.791 5.346 4.556 -0.001 0.000 0.348 133 H C -0.171 175.084 175.328 -0.121 0.000 1.079 133 H CA -0.674 55.319 56.048 -0.091 0.000 1.198 133 H CB 1.261 30.956 29.762 -0.111 0.000 1.521 133 H HN 0.405 nan 8.280 nan 0.000 0.514 134 I N 2.454 123.002 120.570 -0.037 0.000 2.545 134 I HA 0.259 4.429 4.170 -0.001 0.000 0.292 134 I C -0.493 175.515 176.117 -0.182 0.000 1.040 134 I CA -1.074 60.157 61.300 -0.116 0.000 1.068 134 I CB 2.465 40.420 38.000 -0.075 0.000 1.251 134 I HN 0.171 nan 8.210 nan 0.000 0.424 135 V N 6.528 126.268 119.914 -0.290 0.000 2.294 135 V HA 0.187 4.306 4.120 -0.001 0.000 0.272 135 V C 0.266 176.246 176.094 -0.189 0.000 1.027 135 V CA -0.691 61.422 62.300 -0.312 0.000 0.823 135 V CB 1.305 32.756 31.823 -0.619 0.000 1.030 135 V HN 0.529 nan 8.190 nan 0.000 0.457 136 V N 1.615 121.464 119.914 -0.107 0.000 2.881 136 V HA 0.506 4.625 4.120 -0.001 0.000 0.303 136 V C 0.379 176.472 176.094 -0.001 0.000 1.070 136 V CA 0.237 62.508 62.300 -0.048 0.000 1.074 136 V CB 1.648 33.444 31.823 -0.044 0.000 1.012 136 V HN 0.769 nan 8.190 nan 0.000 0.482 137 D N 0.850 121.269 120.400 0.032 0.000 2.415 137 D HA 0.190 4.830 4.640 -0.001 0.000 0.269 137 D C 0.789 177.124 176.300 0.059 0.000 1.099 137 D CA 0.888 54.939 54.000 0.084 0.000 0.865 137 D CB 0.829 41.719 40.800 0.150 0.000 1.359 137 D HN 0.990 nan 8.370 nan 0.000 0.506 141 E N 1.125 121.326 120.200 0.000 0.000 2.153 141 E HA -0.042 4.307 4.350 -0.001 0.000 0.194 141 E C 1.815 178.413 176.600 -0.004 0.000 0.988 141 E CA 1.141 57.540 56.400 -0.001 0.000 0.811 141 E CB -0.125 29.576 29.700 0.002 0.000 0.746 141 E HN 0.541 nan 8.360 nan 0.000 0.466 142 I N 1.035 121.603 120.570 -0.004 0.000 2.315 142 I HA -0.223 3.946 4.170 -0.001 0.000 0.248 142 I C 2.284 178.404 176.117 0.006 0.000 1.117 142 I CA 0.696 61.994 61.300 -0.004 0.000 1.404 142 I CB -0.126 37.869 38.000 -0.009 0.000 1.071 142 I HN 0.012 nan 8.210 nan 0.000 0.419 143 E N 1.034 121.238 120.200 0.007 0.000 2.038 143 E HA -0.218 4.132 4.350 -0.001 0.000 0.195 143 E C 2.252 178.855 176.600 0.006 0.000 1.000 143 E CA 1.349 57.756 56.400 0.012 0.000 0.803 143 E CB -0.426 29.279 29.700 0.009 0.000 0.750 143 E HN 0.422 nan 8.360 nan 0.000 0.448 144 R N 0.132 120.632 120.500 -0.000 0.000 2.091 144 R HA -0.062 4.278 4.340 -0.001 0.000 0.238 144 R C 2.492 178.786 176.300 -0.011 0.000 1.136 144 R CA 0.903 56.999 56.100 -0.006 0.000 0.959 144 R CB -0.361 29.935 30.300 -0.007 0.000 0.856 144 R HN 0.179 nan 8.270 nan 0.000 0.437 145 L N 0.566 121.785 121.223 -0.006 0.000 2.131 145 L HA -0.136 4.204 4.340 -0.001 0.000 0.206 145 L C 1.634 178.503 176.870 -0.002 0.000 1.087 145 L CA 1.538 56.374 54.840 -0.008 0.000 0.767 145 L CB -0.435 41.619 42.059 -0.008 0.000 0.917 145 L HN 0.136 nan 8.230 nan 0.000 0.441 146 D N 0.238 120.650 120.400 0.019 0.000 2.103 146 D HA -0.228 4.411 4.640 -0.001 0.000 0.190 146 D C 2.169 178.448 176.300 -0.035 0.000 0.997 146 D CA 1.931 55.962 54.000 0.052 0.000 0.833 146 D CB 0.119 40.976 40.800 0.095 0.000 0.961 146 D HN 0.352 nan 8.370 nan 0.000 0.447 147 A N -0.188 122.613 122.820 -0.033 0.000 1.948 147 A HA -0.194 4.125 4.320 -0.001 0.000 0.220 147 A C 2.471 179.987 177.584 -0.113 0.000 1.177 147 A CA 1.534 53.527 52.037 -0.073 0.000 0.636 147 A CB -0.783 18.196 19.000 -0.035 0.000 0.815 147 A HN 0.417 nan 8.150 nan 0.000 0.449 148 I N -1.062 119.460 120.570 -0.079 0.000 2.400 148 I HA -0.126 4.044 4.170 -0.001 0.000 0.248 148 I C 2.882 178.946 176.117 -0.089 0.000 1.109 148 I CA 0.841 62.099 61.300 -0.070 0.000 1.425 148 I CB -0.201 37.776 38.000 -0.039 0.000 1.094 148 I HN 0.326 nan 8.210 nan 0.000 0.425 149 A N 0.741 123.509 122.820 -0.087 0.000 1.969 149 A HA -0.059 4.260 4.320 -0.001 0.000 0.218 149 A C 2.373 179.855 177.584 -0.171 0.000 1.169 149 A CA 1.619 53.614 52.037 -0.071 0.000 0.635 149 A CB -1.321 17.678 19.000 -0.001 0.000 0.810 149 A HN 0.444 nan 8.150 nan 0.000 0.445 150 G N -0.398 108.125 108.800 -0.461 0.000 2.480 150 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.216 150 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.216 150 G C 1.386 176.093 174.900 -0.322 0.000 1.200 150 G CA 1.068 45.643 45.100 -0.874 0.000 0.782 150 G HN 0.599 nan 8.290 nan 0.000 0.554 151 E N 0.150 120.221 120.200 -0.214 0.000 2.273 151 E HA -0.034 4.315 4.350 -0.001 0.000 0.198 151 E C 2.467 179.023 176.600 -0.072 0.000 1.002 151 E CA 0.777 57.111 56.400 -0.109 0.000 0.828 151 E CB -0.102 29.550 29.700 -0.080 0.000 0.747 151 E HN 0.442 nan 8.360 nan 0.000 0.491 152 A N -0.510 122.267 122.820 -0.072 0.000 2.267 152 A HA 0.326 4.646 4.320 -0.001 0.000 0.213 152 A C 1.431 179.004 177.584 -0.017 0.000 1.192 152 A CA 0.554 52.570 52.037 -0.035 0.000 0.851 152 A CB 0.054 19.038 19.000 -0.027 0.000 0.881 152 A HN 0.265 nan 8.150 nan 0.000 0.494 153 G N 0.283 109.072 108.800 -0.018 0.000 2.295 153 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.287 153 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.287 153 G C 0.024 174.948 174.900 0.039 0.000 1.055 153 G CA 0.830 45.943 45.100 0.022 0.000 0.922 153 G HN 1.563 nan 8.290 nan 0.000 0.503 154 I N -4.079 116.519 120.570 0.046 0.000 3.145 154 I HA 0.855 5.025 4.170 -0.001 0.000 0.313 154 I C -0.289 175.884 176.117 0.095 0.000 1.122 154 I CA -1.771 59.564 61.300 0.058 0.000 0.987 154 I CB 2.312 40.332 38.000 0.033 0.000 1.236 154 I HN -0.075 nan 8.210 nan 0.000 0.453 155 V N 3.019 122.977 119.914 0.072 0.000 2.275 155 V HA 0.319 4.439 4.120 -0.001 0.000 0.272 155 V C -0.238 175.886 176.094 0.050 0.000 1.028 155 V CA -0.276 62.066 62.300 0.070 0.000 0.810 155 V CB 0.749 32.599 31.823 0.044 0.000 1.043 155 V HN 0.805 nan 8.190 nan 0.000 0.453 156 Q N 3.752 123.582 119.800 0.050 0.000 2.323 156 Q HA 0.191 4.530 4.340 -0.001 0.000 0.257 156 Q C -0.159 175.849 176.000 0.013 0.000 1.022 156 Q CA -0.050 55.773 55.803 0.033 0.000 0.919 156 Q CB 0.428 29.181 28.738 0.025 0.000 1.220 156 Q HN 0.661 nan 8.270 nan 0.000 0.427 157 D N 1.996 122.404 120.400 0.014 0.000 2.478 157 D HA 0.202 4.842 4.640 -0.001 0.000 0.234 157 D C -0.887 175.344 176.300 -0.115 0.000 1.154 157 D CA 0.395 54.365 54.000 -0.051 0.000 0.874 157 D CB 0.784 41.557 40.800 -0.046 0.000 1.198 157 D HN 0.323 nan 8.370 nan 0.000 0.455 158 V N 1.989 121.791 119.914 -0.186 0.000 2.924 158 V HA 0.276 4.395 4.120 -0.001 0.000 0.300 158 V C -1.199 174.781 176.094 -0.190 0.000 1.227 158 V CA -0.727 61.475 62.300 -0.163 0.000 0.954 158 V CB 1.990 33.755 31.823 -0.095 0.000 1.055 158 V HN 0.270 nan 8.190 nan 0.000 0.429 159 L N 4.876 125.991 121.223 -0.180 0.000 2.330 159 L HA 0.782 5.121 4.340 -0.001 0.000 0.271 159 L C -0.073 176.739 176.870 -0.097 0.000 1.013 159 L CA -0.524 54.239 54.840 -0.128 0.000 0.816 159 L CB 1.854 43.855 42.059 -0.097 0.000 1.287 159 L HN 0.556 nan 8.230 nan 0.000 0.435 160 V N 0.920 120.793 119.914 -0.068 0.000 2.612 160 V HA 0.654 4.773 4.120 -0.001 0.000 0.301 160 V C -0.221 175.896 176.094 0.039 0.000 1.046 160 V CA -0.724 61.555 62.300 -0.035 0.000 0.946 160 V CB 1.656 33.444 31.823 -0.058 0.000 1.003 160 V HN 0.823 nan 8.190 nan 0.000 0.459 161 R N 4.079 124.624 120.500 0.075 0.000 2.368 161 R HA 0.718 5.058 4.340 -0.001 0.000 0.302 161 R C -1.282 175.085 176.300 0.113 0.000 1.002 161 R CA -0.648 55.553 56.100 0.169 0.000 0.929 161 R CB 1.116 31.553 30.300 0.229 0.000 1.073 161 R HN 0.900 nan 8.270 nan 0.000 0.464 162 L N 2.835 124.113 121.223 0.092 0.000 2.362 162 L HA 0.391 4.731 4.340 -0.001 0.000 0.275 162 L C -0.126 176.774 176.870 0.049 0.000 0.998 162 L CA -0.995 53.875 54.840 0.050 0.000 0.820 162 L CB 2.170 44.236 42.059 0.012 0.000 1.270 162 L HN 0.613 nan 8.230 nan 0.000 0.415 163 T N 1.746 116.335 114.554 0.058 0.000 2.779 163 T HA 0.155 4.505 4.350 -0.001 0.000 0.296 163 T C 0.506 175.217 174.700 0.018 0.000 0.938 163 T CA 0.147 62.275 62.100 0.048 0.000 1.119 163 T CB 1.215 70.123 68.868 0.067 0.000 0.891 163 T HN 0.407 nan 8.240 nan 0.000 0.526 164 V N 3.112 123.022 119.914 -0.006 0.000 3.330 164 V HA 0.359 4.479 4.120 -0.001 0.000 0.309 164 V C 1.303 177.381 176.094 -0.026 0.000 1.481 164 V CA 0.541 62.828 62.300 -0.022 0.000 1.068 164 V CB 0.055 31.850 31.823 -0.046 0.000 0.935 164 V HN 1.190 nan 8.190 nan 0.000 0.453 165 G N 1.200 109.990 108.800 -0.015 0.000 2.246 165 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.273 165 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.273 165 G C -0.109 174.776 174.900 -0.026 0.000 1.055 165 G CA 0.469 45.563 45.100 -0.010 0.000 0.851 165 G HN 0.645 nan 8.290 nan 0.000 0.500 166 V N -0.490 119.380 119.914 -0.073 0.000 2.540 166 V HA 0.718 4.838 4.120 -0.001 0.000 0.302 166 V C 0.043 176.052 176.094 -0.142 0.000 1.035 166 V CA -0.775 61.447 62.300 -0.130 0.000 0.873 166 V CB 2.113 33.766 31.823 -0.284 0.000 0.992 166 V HN 0.409 nan 8.190 nan 0.000 0.428 167 E N 2.743 122.891 120.200 -0.086 0.000 2.255 167 E HA 0.720 5.069 4.350 -0.001 0.000 0.256 167 E C -0.853 175.649 176.600 -0.164 0.000 0.887 167 E CA -0.493 55.829 56.400 -0.131 0.000 0.782 167 E CB 1.733 31.436 29.700 0.004 0.000 1.214 167 E HN 0.901 nan 8.360 nan 0.000 0.417 168 A N 4.749 127.311 122.820 -0.429 0.000 2.337 168 A HA 0.643 4.962 4.320 -0.001 0.000 0.329 168 A C -1.167 175.965 177.584 -0.754 0.000 1.146 168 A CA -0.539 51.257 52.037 -0.401 0.000 0.800 168 A CB 0.875 19.596 19.000 -0.464 0.000 1.220 168 A HN 0.704 nan 8.150 nan 0.000 0.472 169 H N 1.285 120.249 119.070 -0.176 0.000 2.966 169 H HA 0.396 4.952 4.556 -0.001 0.000 0.347 169 H C 0.203 175.335 175.328 -0.327 0.000 1.048 169 H CA 0.532 56.425 56.048 -0.258 0.000 1.295 169 H CB 1.587 31.223 29.762 -0.209 0.000 1.744 169 H HN 0.960 nan 8.280 nan 0.000 0.513 170 T N 0.722 114.971 114.554 -0.508 0.000 14.137 170 T HA -0.268 4.082 4.350 -0.001 0.000 0.419 170 T C 0.786 175.194 174.700 -0.488 0.000 1.441 170 T CA 1.029 62.611 62.100 -0.864 0.000 2.333 170 T CB -0.929 67.645 68.868 -0.490 0.000 2.760 170 T HN 0.795 nan 8.240 nan 0.000 0.269 171 H N 3.964 122.995 119.070 -0.065 0.000 2.568 171 H HA 0.386 4.941 4.556 -0.001 0.000 0.302 171 H C 0.950 176.286 175.328 0.014 0.000 1.065 171 H CA 0.733 56.810 56.048 0.048 0.000 1.140 171 H CB -0.052 29.770 29.762 0.100 0.000 1.474 171 H HN 0.673 nan 8.280 nan 0.000 0.545 172 E N 0.298 120.537 120.200 0.065 0.000 2.456 172 E HA 0.466 4.816 4.350 -0.001 0.000 0.278 172 E C -1.238 175.411 176.600 0.083 0.000 1.034 172 E CA -1.185 55.226 56.400 0.018 0.000 0.846 172 E CB 2.404 32.093 29.700 -0.018 0.000 1.460 172 E HN -0.003 nan 8.360 nan 0.000 0.463 173 F N -1.032 118.885 119.950 -0.055 0.000 2.725 173 F HA 0.616 5.143 4.527 -0.001 0.000 0.309 173 F C -2.119 173.650 175.800 -0.053 0.000 1.132 173 F CA -1.234 56.715 58.000 -0.084 0.000 0.957 173 F CB 0.988 39.903 39.000 -0.142 0.000 1.286 173 F HN 0.410 nan 8.300 nan 0.000 0.440 174 I N 2.672 123.394 120.570 0.253 0.000 2.404 174 I HA 0.492 4.662 4.170 -0.001 0.000 0.293 174 I C -0.319 175.930 176.117 0.219 0.000 0.992 174 I CA -0.812 60.572 61.300 0.141 0.000 1.149 174 I CB 1.789 39.833 38.000 0.073 0.000 1.315 174 I HN 0.769 nan 8.210 nan 0.000 0.446 175 S N 4.010 119.812 115.700 0.171 0.000 2.549 175 S HA 0.687 5.157 4.470 -0.001 0.000 0.297 175 S C -0.514 174.116 174.600 0.050 0.000 1.115 175 S CA -0.151 58.130 58.200 0.135 0.000 1.059 175 S CB 1.496 64.802 63.200 0.175 0.000 1.046 175 S HN 0.650 nan 8.310 nan 0.000 0.506 176 T N 3.028 117.593 114.554 0.018 0.000 2.952 176 T HA 0.564 4.913 4.350 -0.001 0.000 0.305 176 T C 0.934 175.593 174.700 -0.069 0.000 1.064 176 T CA -0.095 61.996 62.100 -0.014 0.000 1.008 176 T CB 1.552 70.426 68.868 0.009 0.000 1.078 176 T HN 0.736 nan 8.240 nan 0.000 0.459 177 A N 1.894 124.625 122.820 -0.149 0.000 1.933 177 A HA -0.010 4.310 4.320 -0.001 0.000 0.218 177 A C 0.594 177.865 177.584 -0.520 0.000 1.175 177 A CA 1.249 53.067 52.037 -0.365 0.000 0.628 177 A CB -0.164 18.553 19.000 -0.473 0.000 0.814 177 A HN 0.800 nan 8.150 nan 0.000 0.444 178 H N -0.475 118.606 119.070 0.019 0.000 3.036 178 H HA 0.325 4.880 4.556 -0.001 0.000 0.295 178 H C -1.068 174.271 175.328 0.019 0.000 1.124 178 H CA -0.705 55.353 56.048 0.017 0.000 1.507 178 H CB 0.332 30.102 29.762 0.013 0.000 1.591 178 H HN 0.542 nan 8.280 nan 0.000 0.510 179 E N 1.791 122.058 120.200 0.111 0.000 2.384 179 E HA 0.021 4.370 4.350 -0.001 0.000 0.266 179 E C -0.500 176.148 176.600 0.080 0.000 1.012 179 E CA -0.019 56.428 56.400 0.079 0.000 0.901 179 E CB 0.714 30.451 29.700 0.062 0.000 0.967 179 E HN 0.427 nan 8.360 nan 0.000 0.435 180 D N 3.981 124.419 120.400 0.064 0.000 2.441 180 D HA 0.151 4.791 4.640 -0.001 0.000 0.287 180 D C -1.455 174.865 176.300 0.034 0.000 1.198 180 D CA -0.282 53.746 54.000 0.047 0.000 0.894 180 D CB 0.091 40.917 40.800 0.044 0.000 1.070 180 D HN 0.457 nan 8.370 nan 0.000 0.499 181 Q N 0.273 120.091 119.800 0.030 0.000 2.804 181 Q HA 0.272 4.612 4.340 -0.001 0.000 0.302 181 Q C 0.167 176.154 176.000 -0.022 0.000 0.885 181 Q CA -1.020 54.793 55.803 0.017 0.000 0.759 181 Q CB 0.736 29.516 28.738 0.070 0.000 1.465 181 Q HN -0.047 nan 8.270 nan 0.000 0.432 182 K N -0.328 119.996 120.400 -0.126 0.000 2.186 182 K HA 0.147 4.466 4.320 -0.001 0.000 0.202 182 K C -0.406 176.038 176.600 -0.260 0.000 1.052 182 K CA 0.428 56.562 56.287 -0.255 0.000 0.965 182 K CB 0.005 32.259 32.500 -0.409 0.000 0.746 182 K HN 0.314 nan 8.250 nan 0.000 0.457 183 F N 1.904 121.879 119.950 0.041 0.000 2.382 183 F HA 0.428 4.954 4.527 -0.001 0.000 0.331 183 F C 1.241 177.073 175.800 0.053 0.000 1.121 183 F CA 0.915 58.947 58.000 0.054 0.000 1.183 183 F CB 0.978 40.025 39.000 0.078 0.000 1.207 183 F HN 0.454 nan 8.300 nan 0.000 0.555 184 G N 1.193 110.168 108.800 0.292 0.000 2.746 184 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.685 184 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.685 184 G C -1.816 173.151 174.900 0.112 0.000 1.350 184 G CA -1.145 44.071 45.100 0.193 0.000 0.837 184 G HN 0.679 nan 8.290 nan 0.000 0.564 185 L N 0.402 121.672 121.223 0.079 0.000 2.365 185 L HA 0.659 4.999 4.340 -0.001 0.000 0.273 185 L C 0.953 177.849 176.870 0.044 0.000 1.000 185 L CA -0.708 54.162 54.840 0.050 0.000 0.819 185 L CB 2.129 44.206 42.059 0.030 0.000 1.284 185 L HN 0.857 nan 8.230 nan 0.000 0.418 186 S N 1.281 117.006 115.700 0.043 0.000 2.533 186 S HA 0.143 4.613 4.470 -0.001 0.000 0.282 186 S C 1.116 175.737 174.600 0.034 0.000 1.304 186 S CA -0.672 57.556 58.200 0.047 0.000 1.063 186 S CB 1.050 64.288 63.200 0.063 0.000 0.881 186 S HN 0.401 nan 8.310 nan 0.000 0.493 187 V N 5.655 125.585 119.914 0.027 0.000 2.358 187 V HA -0.111 4.009 4.120 -0.001 0.000 0.246 187 V C 2.693 178.803 176.094 0.026 0.000 1.047 187 V CA 2.224 64.534 62.300 0.016 0.000 1.035 187 V CB -1.378 30.446 31.823 0.001 0.000 0.658 187 V HN 0.980 nan 8.190 nan 0.000 0.452 188 A N 0.603 123.448 122.820 0.042 0.000 1.968 188 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 188 A C 2.421 180.044 177.584 0.065 0.000 1.169 188 A CA 1.729 53.798 52.037 0.053 0.000 0.638 188 A CB -0.567 18.473 19.000 0.066 0.000 0.812 188 A HN 0.663 nan 8.150 nan 0.000 0.446 189 S N -1.602 114.139 115.700 0.068 0.000 2.561 189 S HA 0.319 4.789 4.470 -0.001 0.000 0.225 189 S C 1.516 176.135 174.600 0.033 0.000 0.977 189 S CA 1.109 59.339 58.200 0.049 0.000 0.926 189 S CB -0.496 62.725 63.200 0.036 0.000 0.769 189 S HN 1.883 nan 8.310 nan 0.000 0.533 190 G N 0.811 109.630 108.800 0.031 0.000 2.168 190 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.263 190 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.263 190 G C 1.032 175.944 174.900 0.020 0.000 0.977 190 G CA 0.318 45.432 45.100 0.025 0.000 0.659 190 G HN 1.204 nan 8.290 nan 0.000 0.533 191 A N 0.147 122.979 122.820 0.019 0.000 1.940 191 A HA 0.456 4.775 4.320 -0.001 0.000 0.219 191 A C 2.249 179.836 177.584 0.006 0.000 1.176 191 A CA 2.078 54.123 52.037 0.013 0.000 0.631 191 A CB -0.659 18.350 19.000 0.015 0.000 0.814 191 A HN 2.224 nan 8.150 nan 0.000 0.446 195 A N 0.276 123.076 122.820 -0.033 0.000 1.897 195 A HA 0.201 4.520 4.320 -0.001 0.000 0.215 195 A C 1.999 179.500 177.584 -0.139 0.000 1.181 195 A CA 2.027 54.027 52.037 -0.063 0.000 0.620 195 A CB -0.882 18.085 19.000 -0.056 0.000 0.821 195 A HN 0.851 nan 8.150 nan 0.000 0.443 196 V N 0.196 119.991 119.914 -0.198 0.000 2.392 196 V HA -0.307 3.812 4.120 -0.001 0.000 0.249 196 V C 2.641 178.442 176.094 -0.489 0.000 1.059 196 V CA 2.310 64.347 62.300 -0.438 0.000 1.051 196 V CB -0.859 30.698 31.823 -0.443 0.000 0.658 196 V HN 0.514 nan 8.190 nan 0.000 0.455 197 R N -0.161 120.258 120.500 -0.135 0.000 2.070 197 R HA -0.195 4.144 4.340 -0.001 0.000 0.232 197 R C 2.513 178.850 176.300 0.062 0.000 1.138 197 R CA 1.940 58.098 56.100 0.097 0.000 0.936 197 R CB -0.408 30.012 30.300 0.199 0.000 0.839 197 R HN 0.296 nan 8.270 nan 0.000 0.429 198 R N 0.503 121.012 120.500 0.016 0.000 2.293 198 R HA -0.075 4.265 4.340 -0.001 0.000 0.219 198 R C 1.582 177.887 176.300 0.008 0.000 1.091 198 R CA 0.923 57.038 56.100 0.026 0.000 1.004 198 R CB 0.018 30.325 30.300 0.011 0.000 0.865 198 R HN 0.079 nan 8.270 nan 0.000 0.469 199 V N -0.635 119.244 119.914 -0.058 0.000 2.795 199 V HA -0.017 4.103 4.120 -0.001 0.000 0.243 199 V C 1.498 177.629 176.094 0.060 0.000 1.069 199 V CA 0.698 62.966 62.300 -0.053 0.000 1.089 199 V CB -0.488 31.241 31.823 -0.158 0.000 0.756 199 V HN 0.158 nan 8.190 nan 0.000 0.471 200 F N 1.387 121.259 119.950 -0.129 0.000 2.250 200 F HA -0.125 4.402 4.527 -0.001 0.000 0.301 200 F C 2.297 178.066 175.800 -0.052 0.000 1.077 200 F CA 1.024 58.928 58.000 -0.159 0.000 1.348 200 F CB -1.093 37.687 39.000 -0.366 0.000 1.040 200 F HN 0.177 nan 8.300 nan 0.000 0.509 201 A N -0.547 122.375 122.820 0.169 0.000 1.911 201 A HA -0.010 4.309 4.320 -0.001 0.000 0.212 201 A C 1.365 178.983 177.584 0.057 0.000 1.189 201 A CA 0.848 52.953 52.037 0.114 0.000 0.639 201 A CB -1.215 17.849 19.000 0.108 0.000 0.839 201 A HN 0.310 nan 8.150 nan 0.000 0.449 202 T N -0.638 113.945 114.554 0.047 0.000 2.855 202 T HA 0.095 4.444 4.350 -0.001 0.000 0.322 202 T C 0.141 174.808 174.700 -0.056 0.000 1.088 202 T CA 0.428 62.538 62.100 0.018 0.000 1.104 202 T CB 0.498 69.397 68.868 0.051 0.000 0.996 202 T HN 0.360 nan 8.240 nan 0.000 0.549 203 D N -0.216 120.059 120.400 -0.209 0.000 2.333 203 D HA -0.039 4.600 4.640 -0.001 0.000 0.208 203 D C 1.318 177.391 176.300 -0.378 0.000 0.984 203 D CA 0.658 54.430 54.000 -0.380 0.000 0.873 203 D CB 0.068 40.525 40.800 -0.572 0.000 0.935 203 D HN 0.697 nan 8.370 nan 0.000 0.521 204 H N -0.483 118.595 119.070 0.013 0.000 2.740 204 H HA 0.202 4.758 4.556 -0.001 0.000 0.265 204 H C 0.386 175.717 175.328 0.005 0.000 0.978 204 H CA -0.131 55.922 56.048 0.008 0.000 1.198 204 H CB 1.234 31.000 29.762 0.006 0.000 1.467 204 H HN 0.009 nan 8.280 nan 0.000 0.511 205 L N 0.800 122.080 121.223 0.094 0.000 2.332 205 L HA 0.447 4.786 4.340 -0.001 0.000 0.269 205 L C 0.413 177.302 176.870 0.032 0.000 1.016 205 L CA -0.836 54.034 54.840 0.049 0.000 0.809 205 L CB 1.662 43.740 42.059 0.031 0.000 1.280 205 L HN 0.079 nan 8.230 nan 0.000 0.447 206 R N 1.570 122.080 120.500 0.016 0.000 2.512 206 R HA 0.497 4.836 4.340 -0.001 0.000 0.291 206 R C -1.846 174.455 176.300 0.002 0.000 1.097 206 R CA -0.728 55.388 56.100 0.026 0.000 0.940 206 R CB 1.182 31.493 30.300 0.018 0.000 1.198 206 R HN 0.465 nan 8.270 nan 0.000 0.429 207 L N 5.391 126.637 121.223 0.038 0.000 2.361 207 L HA 0.234 4.574 4.340 -0.001 0.000 0.278 207 L C -0.297 176.567 176.870 -0.009 0.000 1.113 207 L CA 0.538 55.362 54.840 -0.027 0.000 0.849 207 L CB 1.660 43.649 42.059 -0.116 0.000 1.155 207 L HN 0.705 nan 8.230 nan 0.000 0.452 208 V N 4.060 123.928 119.914 -0.076 0.000 3.502 208 V HA 0.604 4.724 4.120 -0.001 0.000 0.288 208 V C 0.698 176.753 176.094 -0.065 0.000 1.461 208 V CA 0.416 62.674 62.300 -0.071 0.000 1.029 208 V CB -0.057 31.680 31.823 -0.142 0.000 0.843 208 V HN 0.925 nan 8.190 nan 0.000 0.438 209 G N -0.175 108.578 108.800 -0.078 0.000 2.428 209 G HA2 0.622 4.582 3.960 -0.001 0.000 0.304 209 G HA3 0.622 4.582 3.960 -0.001 0.000 0.304 209 G C -2.152 172.725 174.900 -0.038 0.000 1.303 209 G CA -0.627 44.447 45.100 -0.042 0.000 0.825 209 G HN 0.031 nan 8.290 nan 0.000 0.484 210 L N 0.193 121.416 121.223 0.000 0.000 2.354 210 L HA 0.637 4.977 4.340 -0.001 0.000 0.264 210 L C -0.674 176.252 176.870 0.095 0.000 1.008 210 L CA -1.039 53.815 54.840 0.023 0.000 0.819 210 L CB 2.694 44.749 42.059 -0.006 0.000 1.339 210 L HN 0.736 nan 8.230 nan 0.000 0.420 211 H N 1.062 120.128 119.070 -0.006 0.000 2.667 211 H HA 0.540 5.096 4.556 -0.001 0.000 0.353 211 H C -1.868 173.478 175.328 0.030 0.000 1.072 211 H CA -0.200 55.862 56.048 0.024 0.000 1.214 211 H CB 2.320 32.108 29.762 0.043 0.000 1.600 211 H HN 0.545 nan 8.280 nan 0.000 0.527 212 S N 3.275 118.680 115.700 -0.491 0.000 2.547 212 S HA 0.261 4.731 4.470 -0.001 0.000 0.281 212 S C -1.627 172.668 174.600 -0.509 0.000 1.118 212 S CA -0.620 57.336 58.200 -0.406 0.000 0.947 212 S CB 0.902 63.996 63.200 -0.176 0.000 1.053 212 S HN 0.816 nan 8.310 nan 0.000 0.482 213 H N 3.832 122.630 119.070 -0.453 0.000 2.505 213 H HA 0.613 5.169 4.556 -0.001 0.000 0.338 213 H C 0.503 175.715 175.328 -0.193 0.000 1.057 213 H CA -0.637 55.243 56.048 -0.280 0.000 1.202 213 H CB 0.876 30.509 29.762 -0.215 0.000 1.466 213 H HN 0.627 nan 8.280 nan 0.000 0.499 214 I N 1.833 121.990 120.570 -0.689 0.000 4.147 214 I HA 0.679 4.848 4.170 -0.001 0.000 0.329 214 I C 0.339 176.080 176.117 -0.626 0.000 1.424 214 I CA 0.127 61.108 61.300 -0.532 0.000 1.127 214 I CB 0.565 38.282 38.000 -0.471 0.000 1.128 214 I HN 0.703 nan 8.210 nan 0.000 0.417 215 G N 1.184 109.492 108.800 -0.819 0.000 2.327 215 G HA2 0.427 4.386 3.960 -0.001 0.000 0.291 215 G HA3 0.427 4.386 3.960 -0.001 0.000 0.291 215 G C -1.474 173.169 174.900 -0.428 0.000 1.290 215 G CA 0.033 44.733 45.100 -0.667 0.000 0.857 215 G HN 0.415 nan 8.290 nan 0.000 0.520 216 S N -1.332 114.156 115.700 -0.353 0.000 2.588 216 S HA 0.648 5.118 4.470 -0.001 0.000 0.275 216 S C -0.277 174.255 174.600 -0.113 0.000 1.130 216 S CA -0.195 57.934 58.200 -0.118 0.000 0.855 216 S CB 2.206 65.379 63.200 -0.044 0.000 1.116 216 S HN 1.403 nan 8.310 nan 0.000 0.472 217 Q N -0.040 119.742 119.800 -0.029 0.000 2.463 217 Q HA -0.128 4.212 4.340 -0.001 0.000 0.299 217 Q C -0.879 174.896 176.000 -0.374 0.000 1.353 217 Q CA 0.638 56.398 55.803 -0.071 0.000 0.828 217 Q CB -1.687 26.978 28.738 -0.122 0.000 1.157 217 Q HN 0.809 nan 8.270 nan 0.000 0.436 218 I N 0.457 120.958 120.570 -0.115 0.000 2.342 218 I HA 0.130 4.300 4.170 -0.001 0.000 0.291 218 I C 0.962 177.202 176.117 0.204 0.000 1.010 218 I CA -0.233 60.988 61.300 -0.133 0.000 1.308 218 I CB 0.369 38.292 38.000 -0.128 0.000 1.400 218 I HN -0.047 nan 8.210 nan 0.000 0.488 219 F N 2.383 122.259 119.950 -0.125 0.000 2.728 219 F HA 0.261 4.788 4.527 -0.001 0.000 0.314 219 F C 0.448 176.231 175.800 -0.028 0.000 1.094 219 F CA -0.460 57.442 58.000 -0.163 0.000 1.217 219 F CB -0.091 38.563 39.000 -0.576 0.000 1.056 219 F HN 0.323 nan 8.300 nan 0.000 0.577 220 D N -0.724 119.799 120.400 0.205 0.000 2.419 220 D HA 0.197 4.837 4.640 -0.001 0.000 0.234 220 D C 0.950 177.390 176.300 0.233 0.000 1.014 220 D CA -0.386 53.750 54.000 0.226 0.000 0.919 220 D CB 3.110 44.050 40.800 0.233 0.000 1.366 220 D HN -0.247 nan 8.370 nan 0.000 0.490 221 V N 1.152 121.204 119.914 0.230 0.000 2.913 221 V HA -0.181 3.939 4.120 -0.001 0.000 0.260 221 V C 1.092 177.312 176.094 0.210 0.000 1.098 221 V CA 1.647 64.111 62.300 0.272 0.000 1.121 221 V CB -0.245 31.686 31.823 0.179 0.000 0.714 221 V HN 0.405 nan 8.190 nan 0.000 0.487 222 D N 0.661 121.163 120.400 0.169 0.000 2.104 222 D HA -0.142 4.497 4.640 -0.001 0.000 0.194 222 D C 2.147 178.420 176.300 -0.045 0.000 0.994 222 D CA 1.651 55.758 54.000 0.178 0.000 0.830 222 D CB -0.682 40.327 40.800 0.349 0.000 0.959 222 D HN 0.514 nan 8.370 nan 0.000 0.452 223 G N -0.088 108.554 108.800 -0.263 0.000 2.440 223 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.218 223 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.218 223 G C 1.425 175.978 174.900 -0.578 0.000 1.154 223 G CA 0.359 44.933 45.100 -0.876 0.000 0.767 223 G HN 0.184 nan 8.290 nan 0.000 0.552 224 F N 0.928 120.740 119.950 -0.230 0.000 2.171 224 F HA 0.038 4.565 4.527 -0.001 0.000 0.300 224 F C 2.515 178.242 175.800 -0.121 0.000 1.090 224 F CA 1.309 59.213 58.000 -0.159 0.000 1.293 224 F CB -0.448 38.504 39.000 -0.080 0.000 1.013 224 F HN 0.276 nan 8.300 nan 0.000 0.486 225 E N 0.396 120.648 120.200 0.087 0.000 2.058 225 E HA -0.263 4.087 4.350 -0.001 0.000 0.194 225 E C 2.158 178.770 176.600 0.020 0.000 0.997 225 E CA 1.454 57.888 56.400 0.057 0.000 0.801 225 E CB -0.301 29.433 29.700 0.057 0.000 0.746 225 E HN 0.332 nan 8.360 nan 0.000 0.450 226 L N 0.333 121.505 121.223 -0.084 0.000 2.095 226 L HA 0.084 4.423 4.340 -0.001 0.000 0.204 226 L C 2.218 179.054 176.870 -0.056 0.000 1.080 226 L CA 1.930 56.728 54.840 -0.070 0.000 0.759 226 L CB -0.604 41.335 42.059 -0.200 0.000 0.914 226 L HN 0.183 nan 8.230 nan 0.000 0.439 227 A N -0.220 122.512 122.820 -0.147 0.000 1.902 227 A HA -0.122 4.197 4.320 -0.001 0.000 0.217 227 A C 2.449 180.015 177.584 -0.031 0.000 1.181 227 A CA 1.868 53.840 52.037 -0.109 0.000 0.623 227 A CB -1.188 17.718 19.000 -0.155 0.000 0.818 227 A HN 0.570 nan 8.150 nan 0.000 0.443 228 A N -0.779 122.050 122.820 0.015 0.000 1.877 228 A HA -0.175 4.144 4.320 -0.001 0.000 0.216 228 A C 2.014 179.620 177.584 0.036 0.000 1.186 228 A CA 2.159 54.215 52.037 0.030 0.000 0.620 228 A CB -1.019 18.014 19.000 0.054 0.000 0.822 228 A HN 0.786 nan 8.150 nan 0.000 0.443 229 H N -0.383 118.679 119.070 -0.014 0.000 2.321 229 H HA -0.161 4.395 4.556 -0.001 0.000 0.295 229 H C 2.192 177.515 175.328 -0.008 0.000 1.102 229 H CA 2.403 58.448 56.048 -0.006 0.000 1.266 229 H CB -0.148 29.612 29.762 -0.004 0.000 1.363 229 H HN 0.379 nan 8.280 nan 0.000 0.492 230 R N -0.642 119.802 120.500 -0.093 0.000 2.115 230 R HA -0.037 4.302 4.340 -0.001 0.000 0.230 230 R C 2.523 178.752 176.300 -0.118 0.000 1.111 230 R CA 1.059 57.079 56.100 -0.133 0.000 0.976 230 R CB -0.152 30.127 30.300 -0.034 0.000 0.870 230 R HN 0.239 nan 8.270 nan 0.000 0.445 231 V N 0.435 120.300 119.914 -0.081 0.000 2.283 231 V HA -0.183 3.937 4.120 -0.001 0.000 0.243 231 V C 2.062 178.117 176.094 -0.065 0.000 1.039 231 V CA 1.652 63.916 62.300 -0.060 0.000 1.016 231 V CB -0.271 31.527 31.823 -0.042 0.000 0.650 231 V HN 0.283 nan 8.190 nan 0.000 0.449 232 I N 0.739 121.266 120.570 -0.071 0.000 2.361 232 I HA -0.160 4.010 4.170 -0.001 0.000 0.251 232 I C 2.584 178.648 176.117 -0.089 0.000 1.133 232 I CA 1.368 62.632 61.300 -0.061 0.000 1.413 232 I CB -1.004 36.972 38.000 -0.040 0.000 1.073 232 I HN 0.433 nan 8.210 nan 0.000 0.424 233 G N 1.478 110.176 108.800 -0.171 0.000 2.556 233 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.220 233 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.220 233 G C 1.710 176.565 174.900 -0.075 0.000 1.156 233 G CA 0.693 45.694 45.100 -0.165 0.000 0.766 233 G HN 0.325 nan 8.290 nan 0.000 0.583 234 L N -0.038 121.149 121.223 -0.060 0.000 2.012 234 L HA -0.064 4.276 4.340 -0.001 0.000 0.210 234 L C 2.995 179.860 176.870 -0.009 0.000 1.073 234 L CA 1.211 56.034 54.840 -0.028 0.000 0.748 234 L CB -0.320 41.720 42.059 -0.031 0.000 0.891 234 L HN 0.261 nan 8.230 nan 0.000 0.431 235 L N -0.466 120.749 121.223 -0.013 0.000 2.013 235 L HA -0.320 4.019 4.340 -0.001 0.000 0.212 235 L C 2.871 179.761 176.870 0.034 0.000 1.073 235 L CA 1.807 56.654 54.840 0.012 0.000 0.753 235 L CB -0.747 41.317 42.059 0.008 0.000 0.890 235 L HN 0.418 nan 8.230 nan 0.000 0.432 236 R N 0.419 120.928 120.500 0.015 0.000 2.094 236 R HA -0.227 4.112 4.340 -0.001 0.000 0.239 236 R C 1.806 178.133 176.300 0.046 0.000 1.137 236 R CA 2.316 58.432 56.100 0.026 0.000 0.943 236 R CB -0.469 29.835 30.300 0.006 0.000 0.850 236 R HN 0.343 nan 8.270 nan 0.000 0.433 237 D N 0.506 120.928 120.400 0.037 0.000 2.149 237 D HA -0.172 4.468 4.640 -0.001 0.000 0.194 237 D C 1.929 178.296 176.300 0.110 0.000 1.001 237 D CA 1.874 55.907 54.000 0.056 0.000 0.849 237 D CB -0.275 40.551 40.800 0.043 0.000 0.939 237 D HN 0.392 nan 8.370 nan 0.000 0.449 238 V N -0.424 119.571 119.914 0.136 0.000 2.548 238 V HA -0.153 3.967 4.120 -0.001 0.000 0.249 238 V C 2.485 178.763 176.094 0.306 0.000 1.055 238 V CA 1.616 64.077 62.300 0.269 0.000 1.065 238 V CB -1.045 30.910 31.823 0.219 0.000 0.681 238 V HN 0.168 nan 8.190 nan 0.000 0.462 239 V N 2.110 122.132 119.914 0.181 0.000 2.237 239 V HA -0.027 4.092 4.120 -0.001 0.000 0.245 239 V C 2.652 178.814 176.094 0.114 0.000 1.046 239 V CA 2.734 65.122 62.300 0.145 0.000 1.007 239 V CB -1.851 30.025 31.823 0.089 0.000 0.638 239 V HN 0.598 nan 8.190 nan 0.000 0.445 240 G N -0.599 108.249 108.800 0.081 0.000 2.803 240 G HA2 -0.414 3.545 3.960 -0.001 0.000 0.227 240 G HA3 -0.414 3.545 3.960 -0.001 0.000 0.227 240 G C 1.543 176.456 174.900 0.022 0.000 1.129 240 G CA 1.654 46.783 45.100 0.049 0.000 0.755 240 G HN 0.686 nan 8.290 nan 0.000 0.634 241 E N -1.831 118.401 120.200 0.054 0.000 2.460 241 E HA 0.264 4.613 4.350 -0.001 0.000 0.200 241 E C 0.796 177.162 176.600 -0.390 0.000 1.011 241 E CA -0.121 56.189 56.400 -0.150 0.000 0.912 241 E CB 0.341 29.965 29.700 -0.126 0.000 0.953 241 E HN 0.524 nan 8.360 nan 0.000 0.494 242 F N -0.815 119.164 119.950 0.048 0.000 3.021 242 F HA 0.266 4.793 4.527 -0.001 0.000 0.376 242 F C 0.352 176.142 175.800 -0.017 0.000 1.075 242 F CA 0.410 58.423 58.000 0.021 0.000 1.073 242 F CB 1.823 40.869 39.000 0.078 0.000 1.243 242 F HN -0.027 nan 8.300 nan 0.000 0.540 243 G N 1.747 110.633 108.800 0.143 0.000 2.719 243 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.686 243 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.686 243 G C -2.201 172.752 174.900 0.088 0.000 1.201 243 G CA -0.557 44.590 45.100 0.079 0.000 0.768 243 G HN -0.076 nan 8.290 nan 0.000 0.629 244 P HA 0.016 nan 4.420 nan 0.000 0.230 244 P C 1.084 178.407 177.300 0.038 0.000 1.158 244 P CA 1.093 64.225 63.100 0.053 0.000 0.769 244 P CB 0.386 32.109 31.700 0.039 0.000 0.807 245 E N 0.351 120.566 120.200 0.024 0.000 2.276 245 E HA -0.057 4.292 4.350 -0.001 0.000 0.193 245 E C 1.896 178.488 176.600 -0.013 0.000 0.983 245 E CA 0.856 57.260 56.400 0.007 0.000 0.861 245 E CB -0.264 29.436 29.700 0.001 0.000 0.817 245 E HN 0.368 nan 8.360 nan 0.000 0.485 246 K N 0.043 120.425 120.400 -0.029 0.000 2.361 246 K HA -0.002 4.318 4.320 -0.001 0.000 0.196 246 K C 1.743 178.300 176.600 -0.072 0.000 1.039 246 K CA 1.321 57.544 56.287 -0.106 0.000 1.001 246 K CB -0.093 32.277 32.500 -0.217 0.000 0.795 246 K HN 0.037 nan 8.250 nan 0.000 0.495 247 T N -2.337 112.239 114.554 0.037 0.000 3.055 247 T HA 0.130 4.480 4.350 -0.001 0.000 0.265 247 T C 1.895 176.641 174.700 0.077 0.000 1.111 247 T CA 0.577 62.746 62.100 0.115 0.000 1.118 247 T CB -0.092 68.862 68.868 0.144 0.000 0.909 247 T HN 0.244 nan 8.240 nan 0.000 0.501 248 A N 1.500 124.346 122.820 0.044 0.000 2.066 248 A HA -0.022 4.297 4.320 -0.001 0.000 0.218 248 A C 2.403 180.007 177.584 0.032 0.000 1.157 248 A CA 1.366 53.424 52.037 0.035 0.000 0.670 248 A CB -0.825 18.190 19.000 0.024 0.000 0.804 248 A HN 0.775 nan 8.150 nan 0.000 0.453 249 Q N 0.337 120.154 119.800 0.029 0.000 2.197 249 Q HA -0.130 4.209 4.340 -0.001 0.000 0.207 249 Q C 0.432 176.461 176.000 0.048 0.000 0.984 249 Q CA 1.250 57.071 55.803 0.031 0.000 0.869 249 Q CB -0.466 28.280 28.738 0.014 0.000 0.906 249 Q HN 0.629 nan 8.270 nan 0.000 0.426 250 I N 1.979 122.589 120.570 0.067 0.000 2.532 250 I HA 0.007 4.177 4.170 -0.001 0.000 0.302 250 I C 0.903 177.036 176.117 0.027 0.000 1.176 250 I CA -0.033 61.291 61.300 0.040 0.000 1.975 250 I CB 0.032 38.057 38.000 0.040 0.000 1.536 250 I HN 0.260 nan 8.210 nan 0.000 0.919 251 A N 3.017 125.852 122.820 0.025 0.000 2.218 251 A HA 0.115 4.434 4.320 -0.001 0.000 0.209 251 A C 0.992 178.595 177.584 0.031 0.000 1.168 251 A CA 0.533 52.588 52.037 0.029 0.000 0.804 251 A CB -0.014 19.006 19.000 0.033 0.000 0.834 251 A HN 0.464 nan 8.150 nan 0.000 0.482 252 T N 0.322 114.892 114.554 0.026 0.000 2.809 252 T HA 0.493 4.843 4.350 -0.001 0.000 0.284 252 T C -0.884 173.831 174.700 0.024 0.000 0.992 252 T CA -0.296 61.824 62.100 0.034 0.000 0.957 252 T CB 1.663 70.562 68.868 0.053 0.000 0.942 252 T HN -0.104 nan 8.240 nan 0.000 0.439 253 V N 3.806 123.732 119.914 0.019 0.000 2.347 253 V HA 0.384 4.503 4.120 -0.001 0.000 0.280 253 V C -0.292 175.804 176.094 0.002 0.000 1.021 253 V CA -0.716 61.591 62.300 0.011 0.000 0.847 253 V CB 1.452 33.276 31.823 0.001 0.000 0.990 253 V HN 0.804 nan 8.190 nan 0.000 0.444 254 D N 4.772 125.189 120.400 0.027 0.000 2.414 254 D HA 0.342 4.981 4.640 -0.001 0.000 0.232 254 D C 0.385 176.673 176.300 -0.020 0.000 1.070 254 D CA -0.323 53.699 54.000 0.037 0.000 0.839 254 D CB 1.733 42.653 40.800 0.200 0.000 1.079 254 D HN 0.429 nan 8.370 nan 0.000 0.521 255 L N 3.315 124.495 121.223 -0.073 0.000 2.653 255 L HA 0.322 4.662 4.340 -0.001 0.000 0.232 255 L C 1.498 178.351 176.870 -0.028 0.000 1.169 255 L CA -0.046 54.759 54.840 -0.058 0.000 0.951 255 L CB -0.604 41.432 42.059 -0.039 0.000 1.181 255 L HN 0.652 nan 8.230 nan 0.000 0.460 256 G N 0.190 108.971 108.800 -0.032 0.000 2.598 256 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.244 256 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.244 256 G C 0.241 175.225 174.900 0.141 0.000 1.302 256 G CA -0.453 44.707 45.100 0.100 0.000 0.903 256 G HN 0.415 nan 8.290 nan 0.000 0.575 257 G N -2.578 106.412 108.800 0.318 0.000 2.695 257 G HA2 0.666 4.626 3.960 -0.001 0.000 0.213 257 G HA3 0.666 4.626 3.960 -0.001 0.000 0.213 257 G C 1.517 176.525 174.900 0.179 0.000 1.406 257 G CA 1.259 46.491 45.100 0.221 0.000 1.049 257 G HN 2.645 nan 8.290 nan 0.000 0.573 258 G N -2.223 106.679 108.800 0.169 0.000 2.176 258 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.232 258 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.232 258 G C 0.270 175.265 174.900 0.159 0.000 0.986 258 G CA 0.156 45.309 45.100 0.088 0.000 0.643 258 G HN 0.650 nan 8.290 nan 0.000 0.522 259 L N 1.753 123.098 121.223 0.204 0.000 2.578 259 L HA 0.489 4.828 4.340 -0.001 0.000 0.279 259 L C 1.407 178.402 176.870 0.207 0.000 1.227 259 L CA 1.276 56.243 54.840 0.212 0.000 0.900 259 L CB 0.398 42.556 42.059 0.165 0.000 1.144 259 L HN 0.367 nan 8.230 nan 0.000 0.496 260 G N 4.128 113.085 108.800 0.262 0.000 2.412 260 G HA2 0.667 4.626 3.960 -0.001 0.000 0.318 260 G HA3 0.667 4.626 3.960 -0.001 0.000 0.318 260 G C -0.517 174.515 174.900 0.219 0.000 1.146 260 G CA -0.547 44.768 45.100 0.357 0.000 0.882 260 G HN 0.732 nan 8.290 nan 0.000 0.501 261 I N -2.167 118.525 120.570 0.204 0.000 3.264 261 I HA 0.747 4.917 4.170 -0.001 0.000 0.309 261 I C -0.295 175.820 176.117 -0.003 0.000 1.099 261 I CA -1.138 60.173 61.300 0.019 0.000 0.989 261 I CB 2.270 40.219 38.000 -0.085 0.000 1.250 261 I HN 0.264 nan 8.210 nan 0.000 0.478 262 S N 0.977 116.617 115.700 -0.100 0.000 2.423 262 S HA 0.369 4.838 4.470 -0.001 0.000 0.317 262 S C 0.028 174.555 174.600 -0.122 0.000 1.065 262 S CA -0.470 57.699 58.200 -0.051 0.000 1.111 262 S CB 0.280 63.448 63.200 -0.052 0.000 0.968 262 S HN 0.586 nan 8.310 nan 0.000 0.474 263 Y N 2.149 122.470 120.300 0.034 0.000 2.184 263 Y HA 0.097 4.647 4.550 -0.001 0.000 0.290 263 Y C 0.918 176.822 175.900 0.007 0.000 1.129 263 Y CA 0.867 58.961 58.100 -0.011 0.000 1.144 263 Y CB 0.033 38.442 38.460 -0.085 0.000 0.995 263 Y HN 0.430 nan 8.280 nan 0.000 0.513 264 L N -0.451 120.892 121.223 0.199 0.000 2.322 264 L HA 0.264 4.603 4.340 -0.001 0.000 0.269 264 L C -1.645 175.305 176.870 0.133 0.000 1.012 264 L CA -2.201 52.736 54.840 0.162 0.000 0.815 264 L CB 1.492 43.649 42.059 0.163 0.000 1.295 264 L HN -0.222 nan 8.230 nan 0.000 0.438 265 P HA -0.172 nan 4.420 nan 0.000 0.216 265 P C 1.330 178.685 177.300 0.092 0.000 1.150 265 P CA 1.307 64.485 63.100 0.130 0.000 0.843 265 P CB 0.198 31.989 31.700 0.152 0.000 0.787 266 S N -2.466 113.293 115.700 0.098 0.000 2.561 266 S HA -0.026 4.444 4.470 -0.001 0.000 0.225 266 S C 0.645 175.304 174.600 0.098 0.000 0.977 266 S CA 0.236 58.488 58.200 0.088 0.000 0.926 266 S CB -0.936 62.322 63.200 0.097 0.000 0.769 266 S HN 0.068 nan 8.310 nan 0.000 0.533 267 D N 3.847 124.308 120.400 0.102 0.000 2.425 267 D HA 0.237 4.876 4.640 -0.001 0.000 0.247 267 D C -0.212 175.993 176.300 -0.157 0.000 1.147 267 D CA 0.380 54.418 54.000 0.064 0.000 0.879 267 D CB 0.695 41.579 40.800 0.141 0.000 1.179 267 D HN 0.490 nan 8.370 nan 0.000 0.456 268 D N 1.094 121.265 120.400 -0.382 0.000 2.656 268 D HA 0.158 4.798 4.640 -0.001 0.000 0.303 268 D C -2.774 173.206 176.300 -0.534 0.000 1.199 268 D CA -1.444 52.378 54.000 -0.297 0.000 0.797 268 D CB 0.680 41.459 40.800 -0.034 0.000 1.170 268 D HN 0.071 nan 8.370 nan 0.000 0.509 269 P HA 0.281 nan 4.420 nan 0.000 0.274 269 P C -2.422 174.757 177.300 -0.202 0.000 1.231 269 P CA -0.952 61.793 63.100 -0.592 0.000 0.790 269 P CB 0.540 31.961 31.700 -0.466 0.000 0.951 270 P HA 0.336 nan 4.420 nan 0.000 0.276 270 P C -2.534 174.751 177.300 -0.024 0.000 1.244 270 P CA -1.926 61.165 63.100 -0.016 0.000 0.801 270 P CB -1.094 30.626 31.700 0.034 0.000 1.006 271 P HA 0.113 nan 4.420 nan 0.000 0.268 271 P C 0.894 178.169 177.300 -0.042 0.000 1.204 271 P CA -0.165 62.916 63.100 -0.031 0.000 0.768 271 P CB 0.315 31.997 31.700 -0.031 0.000 0.842 272 I N 3.106 123.648 120.570 -0.047 0.000 2.493 272 I HA -0.179 3.991 4.170 -0.001 0.000 0.254 272 I C 1.941 177.954 176.117 -0.174 0.000 1.160 272 I CA 1.491 62.747 61.300 -0.074 0.000 1.445 272 I CB -0.742 37.241 38.000 -0.029 0.000 1.086 272 I HN 0.419 nan 8.210 nan 0.000 0.433 273 A N -0.185 122.550 122.820 -0.141 0.000 1.902 273 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 273 A C 2.277 179.764 177.584 -0.161 0.000 1.181 273 A CA 1.884 53.821 52.037 -0.167 0.000 0.623 273 A CB -0.713 18.225 19.000 -0.103 0.000 0.818 273 A HN 0.550 nan 8.150 nan 0.000 0.443 274 E N -0.527 119.609 120.200 -0.106 0.000 2.031 274 E HA -0.144 4.205 4.350 -0.001 0.000 0.193 274 E C 1.997 178.545 176.600 -0.087 0.000 0.994 274 E CA 0.992 57.347 56.400 -0.076 0.000 0.800 274 E CB -0.265 29.412 29.700 -0.038 0.000 0.752 274 E HN 0.571 nan 8.360 nan 0.000 0.447 275 L N 0.273 121.444 121.223 -0.088 0.000 2.187 275 L HA -0.176 4.163 4.340 -0.001 0.000 0.213 275 L C 2.133 178.919 176.870 -0.140 0.000 1.100 275 L CA 1.279 56.080 54.840 -0.066 0.000 0.765 275 L CB -0.225 41.819 42.059 -0.024 0.000 0.904 275 L HN 0.112 nan 8.230 nan 0.000 0.437 276 A N -0.929 121.708 122.820 -0.304 0.000 1.924 276 A HA 0.115 4.434 4.320 -0.001 0.000 0.211 276 A C 2.433 179.857 177.584 -0.267 0.000 1.198 276 A CA 0.904 52.640 52.037 -0.501 0.000 0.657 276 A CB -0.480 17.724 19.000 -1.328 0.000 0.852 276 A HN 0.439 nan 8.150 nan 0.000 0.454 277 A N 0.576 123.267 122.820 -0.214 0.000 1.881 277 A HA -0.305 4.014 4.320 -0.001 0.000 0.219 277 A C 2.082 179.627 177.584 -0.065 0.000 1.215 277 A CA 2.502 54.472 52.037 -0.113 0.000 0.648 277 A CB -0.698 18.249 19.000 -0.088 0.000 0.832 277 A HN 0.473 nan 8.150 nan 0.000 0.455 278 K N -1.312 119.057 120.400 -0.052 0.000 2.020 278 K HA -0.136 4.183 4.320 -0.001 0.000 0.212 278 K C 1.845 178.443 176.600 -0.004 0.000 1.050 278 K CA 1.508 57.787 56.287 -0.014 0.000 0.929 278 K CB -0.376 32.127 32.500 0.006 0.000 0.714 278 K HN 0.308 nan 8.250 nan 0.000 0.443 279 L N 0.168 121.380 121.223 -0.018 0.000 2.127 279 L HA -0.120 4.220 4.340 -0.001 0.000 0.211 279 L C 2.097 178.975 176.870 0.013 0.000 1.089 279 L CA 2.051 56.887 54.840 -0.007 0.000 0.757 279 L CB -1.258 40.787 42.059 -0.023 0.000 0.899 279 L HN 0.376 nan 8.230 nan 0.000 0.434 280 G N -2.782 106.022 108.800 0.007 0.000 2.411 280 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.213 280 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.213 280 G C 1.522 176.432 174.900 0.016 0.000 1.166 280 G CA 0.823 45.936 45.100 0.021 0.000 0.802 280 G HN 0.330 nan 8.290 nan 0.000 0.533 281 T N 1.791 116.350 114.554 0.008 0.000 2.665 281 T HA -0.198 4.151 4.350 -0.001 0.000 0.268 281 T C 2.347 177.061 174.700 0.022 0.000 1.035 281 T CA 1.517 63.625 62.100 0.013 0.000 1.151 281 T CB -0.243 68.630 68.868 0.009 0.000 0.862 281 T HN 0.478 nan 8.240 nan 0.000 0.438 282 I N -0.197 120.390 120.570 0.027 0.000 2.500 282 I HA -0.017 4.153 4.170 -0.001 0.000 0.252 282 I C 2.133 178.274 176.117 0.041 0.000 1.142 282 I CA 0.867 62.190 61.300 0.038 0.000 1.451 282 I CB -0.570 37.459 38.000 0.047 0.000 1.093 282 I HN 0.023 nan 8.210 nan 0.000 0.430 283 V N 1.256 121.190 119.914 0.034 0.000 2.392 283 V HA -0.259 3.860 4.120 -0.001 0.000 0.249 283 V C 2.833 178.945 176.094 0.031 0.000 1.059 283 V CA 2.210 64.529 62.300 0.031 0.000 1.051 283 V CB -0.969 30.869 31.823 0.025 0.000 0.658 283 V HN 0.554 nan 8.190 nan 0.000 0.455 284 S N -0.454 115.263 115.700 0.029 0.000 2.335 284 S HA -0.222 4.247 4.470 -0.001 0.000 0.216 284 S C 1.833 176.451 174.600 0.030 0.000 1.032 284 S CA 1.693 59.909 58.200 0.027 0.000 1.000 284 S CB -0.487 62.726 63.200 0.022 0.000 0.928 284 S HN 0.638 nan 8.310 nan 0.000 0.434 285 D N 1.128 121.547 120.400 0.031 0.000 2.154 285 D HA -0.135 4.504 4.640 -0.001 0.000 0.190 285 D C 2.029 178.356 176.300 0.046 0.000 1.003 285 D CA 1.286 55.307 54.000 0.035 0.000 0.849 285 D CB -0.430 40.391 40.800 0.035 0.000 0.942 285 D HN 0.438 nan 8.370 nan 0.000 0.446 286 E N -0.034 120.199 120.200 0.056 0.000 2.274 286 E HA -0.041 4.309 4.350 -0.001 0.000 0.194 286 E C 2.057 178.688 176.600 0.051 0.000 0.996 286 E CA 0.242 56.687 56.400 0.075 0.000 0.840 286 E CB 0.015 29.768 29.700 0.089 0.000 0.772 286 E HN 0.096 nan 8.360 nan 0.000 0.491 287 S N 0.099 115.822 115.700 0.038 0.000 2.371 287 S HA -0.079 4.390 4.470 -0.001 0.000 0.221 287 S C 2.140 176.758 174.600 0.030 0.000 1.036 287 S CA 1.540 59.758 58.200 0.029 0.000 0.965 287 S CB -0.039 63.177 63.200 0.027 0.000 0.845 287 S HN 0.461 nan 8.310 nan 0.000 0.475 288 T N 0.863 115.435 114.554 0.030 0.000 2.821 288 T HA 0.111 4.461 4.350 -0.001 0.000 0.267 288 T C 1.872 176.591 174.700 0.031 0.000 1.046 288 T CA 1.044 63.161 62.100 0.028 0.000 1.139 288 T CB -0.657 68.226 68.868 0.025 0.000 0.871 288 T HN 0.318 nan 8.240 nan 0.000 0.454 289 A N 1.482 124.324 122.820 0.038 0.000 2.194 289 A HA 0.080 4.399 4.320 -0.001 0.000 0.220 289 A C 2.158 179.768 177.584 0.043 0.000 1.162 289 A CA 1.585 53.649 52.037 0.045 0.000 0.674 289 A CB -0.836 18.202 19.000 0.064 0.000 0.789 289 A HN 1.096 nan 8.150 nan 0.000 0.470 290 V N -5.740 114.196 119.914 0.035 0.000 3.111 290 V HA 0.617 4.736 4.120 -0.001 0.000 0.343 290 V C 0.775 176.886 176.094 0.028 0.000 1.417 290 V CA 0.317 62.635 62.300 0.030 0.000 1.142 290 V CB -0.699 31.138 31.823 0.022 0.000 1.114 290 V HN 1.537 nan 8.190 nan 0.000 0.520 291 G N 1.345 110.162 108.800 0.027 0.000 2.246 291 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.273 291 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.273 291 G C -0.600 174.315 174.900 0.026 0.000 1.055 291 G CA 0.662 45.777 45.100 0.025 0.000 0.851 291 G HN 0.594 nan 8.290 nan 0.000 0.500 292 L N 0.300 121.539 121.223 0.026 0.000 2.354 292 L HA 0.706 5.045 4.340 -0.001 0.000 0.264 292 L C -1.919 174.966 176.870 0.025 0.000 1.008 292 L CA -2.763 52.093 54.840 0.027 0.000 0.819 292 L CB 1.760 43.836 42.059 0.028 0.000 1.339 292 L HN -0.031 nan 8.230 nan 0.000 0.420 293 P HA 0.083 nan 4.420 nan 0.000 0.271 293 P C -0.520 176.794 177.300 0.024 0.000 1.220 293 P CA -0.227 62.886 63.100 0.023 0.000 0.768 293 P CB 0.041 31.754 31.700 0.022 0.000 0.848 294 T N 6.455 121.022 114.554 0.023 0.000 2.800 294 T HA 0.090 4.439 4.350 -0.001 0.000 0.283 294 T C -1.672 173.043 174.700 0.025 0.000 0.999 294 T CA -0.032 62.083 62.100 0.024 0.000 1.176 294 T CB -0.793 68.089 68.868 0.024 0.000 0.973 294 T HN 0.435 nan 8.240 nan 0.000 0.519 295 P HA 0.323 nan 4.420 nan 0.000 0.278 295 P C -0.565 176.751 177.300 0.028 0.000 1.266 295 P CA -0.979 62.136 63.100 0.026 0.000 0.807 295 P CB 0.698 32.412 31.700 0.023 0.000 1.094 296 K N 0.889 121.307 120.400 0.031 0.000 2.205 296 K HA 0.345 4.664 4.320 -0.001 0.000 0.279 296 K C -0.484 176.129 176.600 0.021 0.000 1.027 296 K CA -0.662 55.645 56.287 0.034 0.000 0.932 296 K CB 0.564 33.090 32.500 0.044 0.000 1.032 296 K HN 0.391 nan 8.250 nan 0.000 0.466 297 L N 5.209 126.444 121.223 0.020 0.000 2.281 297 L HA 0.260 4.599 4.340 -0.001 0.000 0.285 297 L C -1.049 175.769 176.870 -0.088 0.000 1.074 297 L CA -0.574 54.258 54.840 -0.013 0.000 0.817 297 L CB 1.153 43.237 42.059 0.041 0.000 1.168 297 L HN 0.608 nan 8.230 nan 0.000 0.434 298 V N 5.456 125.280 119.914 -0.150 0.000 2.815 298 V HA 0.592 4.712 4.120 -0.001 0.000 0.314 298 V C -0.411 175.456 176.094 -0.378 0.000 1.064 298 V CA -0.589 61.541 62.300 -0.284 0.000 0.952 298 V CB 2.574 34.275 31.823 -0.204 0.000 1.020 298 V HN 0.519 nan 8.190 nan 0.000 0.439 299 V N 2.583 122.175 119.914 -0.536 0.000 2.932 299 V HA 0.510 4.630 4.120 -0.001 0.000 0.307 299 V C -0.939 174.954 176.094 -0.336 0.000 1.147 299 V CA -0.429 61.580 62.300 -0.486 0.000 0.951 299 V CB 2.484 33.772 31.823 -0.892 0.000 1.031 299 V HN 1.025 nan 8.190 nan 0.000 0.426 300 E N 5.824 125.942 120.200 -0.137 0.000 3.786 300 E HA 0.296 4.646 4.350 -0.001 0.000 0.215 300 E C -2.729 173.870 176.600 -0.001 0.000 1.188 300 E CA -1.555 54.826 56.400 -0.032 0.000 1.248 300 E CB 1.055 30.789 29.700 0.057 0.000 1.260 300 E HN 0.461 nan 8.360 nan 0.000 0.426 301 P HA 0.086 nan 4.420 nan 0.000 0.279 301 P C 0.293 177.629 177.300 0.059 0.000 1.239 301 P CA 0.068 63.205 63.100 0.061 0.000 0.789 301 P CB 1.995 33.742 31.700 0.079 0.000 0.933 302 G N 2.572 111.405 108.800 0.055 0.000 2.687 302 G HA2 -0.034 3.926 3.960 -0.001 0.000 0.222 302 G HA3 -0.034 3.926 3.960 -0.001 0.000 0.222 302 G C 1.442 176.437 174.900 0.158 0.000 1.445 302 G CA -0.035 45.067 45.100 0.003 0.000 0.836 302 G HN 0.436 nan 8.290 nan 0.000 0.598 303 R N 0.493 121.111 120.500 0.197 0.000 2.196 303 R HA -0.226 4.113 4.340 -0.001 0.000 0.259 303 R C 2.472 178.844 176.300 0.120 0.000 1.154 303 R CA 2.058 58.285 56.100 0.213 0.000 0.976 303 R CB -0.385 30.096 30.300 0.301 0.000 0.888 303 R HN 0.328 nan 8.270 nan 0.000 0.453 304 A N -0.237 122.647 122.820 0.107 0.000 2.167 304 A HA 0.033 4.353 4.320 -0.001 0.000 0.214 304 A C 1.785 179.364 177.584 -0.008 0.000 1.151 304 A CA 0.614 52.687 52.037 0.059 0.000 0.735 304 A CB -0.000 19.050 19.000 0.084 0.000 0.802 304 A HN 0.281 nan 8.150 nan 0.000 0.467 305 I N -1.162 119.384 120.570 -0.039 0.000 3.325 305 I HA 0.171 4.341 4.170 -0.001 0.000 0.237 305 I C 1.650 177.477 176.117 -0.483 0.000 1.068 305 I CA 0.726 61.870 61.300 -0.260 0.000 1.511 305 I CB -1.183 36.700 38.000 -0.195 0.000 1.409 305 I HN 0.267 nan 8.210 nan 0.000 0.464 306 A N 0.146 122.782 122.820 -0.307 0.000 2.310 306 A HA 0.474 4.794 4.320 -0.001 0.000 0.260 306 A C 1.043 178.654 177.584 0.046 0.000 1.112 306 A CA 0.797 52.822 52.037 -0.020 0.000 0.804 306 A CB -0.007 19.172 19.000 0.298 0.000 1.081 306 A HN 0.782 nan 8.150 nan 0.000 0.499 307 G N -1.129 107.725 108.800 0.091 0.000 3.626 307 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.241 307 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.241 307 G C -1.281 173.619 174.900 0.001 0.000 1.824 307 G CA 0.294 45.428 45.100 0.058 0.000 1.511 307 G HN 0.689 nan 8.290 nan 0.000 0.600 308 P HA 0.108 nan 4.420 nan 0.000 0.223 308 P C 1.693 178.989 177.300 -0.006 0.000 1.151 308 P CA 2.209 65.269 63.100 -0.067 0.000 0.787 308 P CB -0.488 31.171 31.700 -0.068 0.000 0.788 309 G N -1.407 107.424 108.800 0.052 0.000 2.985 309 G HA2 0.034 3.993 3.960 -0.001 0.000 0.209 309 G HA3 0.034 3.993 3.960 -0.001 0.000 0.209 309 G C 0.243 175.211 174.900 0.114 0.000 1.165 309 G CA 0.318 45.480 45.100 0.104 0.000 0.776 309 G HN 0.217 nan 8.290 nan 0.000 0.541 310 T N 0.422 115.027 114.554 0.086 0.000 2.885 310 T HA 0.653 5.003 4.350 -0.001 0.000 0.285 310 T C -1.321 173.408 174.700 0.047 0.000 1.019 310 T CA -0.226 61.926 62.100 0.086 0.000 1.010 310 T CB 2.421 71.337 68.868 0.080 0.000 1.022 310 T HN -0.087 nan 8.240 nan 0.000 0.466 311 I N 1.416 122.007 120.570 0.035 0.000 2.686 311 I HA 0.391 4.560 4.170 -0.001 0.000 0.295 311 I C -0.413 175.613 176.117 -0.151 0.000 1.114 311 I CA -0.243 61.038 61.300 -0.031 0.000 1.038 311 I CB 2.659 40.707 38.000 0.080 0.000 1.238 311 I HN 0.560 nan 8.210 nan 0.000 0.420 312 T N 6.359 120.732 114.554 -0.302 0.000 2.756 312 T HA 0.462 4.811 4.350 -0.001 0.000 0.290 312 T C -0.486 173.902 174.700 -0.521 0.000 0.985 312 T CA -0.394 61.330 62.100 -0.626 0.000 0.955 312 T CB 0.642 68.959 68.868 -0.919 0.000 0.930 312 T HN 0.300 nan 8.240 nan 0.000 0.451 313 L N 4.855 125.818 121.223 -0.433 0.000 2.276 313 L HA 0.502 4.842 4.340 -0.001 0.000 0.286 313 L C -1.289 175.407 176.870 -0.289 0.000 1.061 313 L CA -0.513 54.194 54.840 -0.223 0.000 0.807 313 L CB 0.462 42.465 42.059 -0.094 0.000 1.177 313 L HN 0.670 nan 8.230 nan 0.000 0.429 314 Y N 2.315 122.605 120.300 -0.017 0.000 2.536 314 Y HA 0.338 4.888 4.550 -0.000 0.000 0.347 314 Y C 0.036 175.940 175.900 0.006 0.000 1.000 314 Y CA -0.825 57.265 58.100 -0.016 0.000 1.051 314 Y CB 1.677 40.124 38.460 -0.023 0.000 1.259 314 Y HN 0.483 nan 8.280 nan 0.000 0.468 315 E N 1.481 121.786 120.200 0.175 0.000 2.197 315 E HA 0.442 4.792 4.350 -0.001 0.000 0.281 315 E C -1.168 175.478 176.600 0.077 0.000 0.995 315 E CA -0.614 55.847 56.400 0.102 0.000 0.808 315 E CB 1.115 30.857 29.700 0.071 0.000 1.093 315 E HN 0.476 nan 8.360 nan 0.000 0.394 316 V N 4.168 124.116 119.914 0.056 0.000 2.585 316 V HA 0.112 4.231 4.120 -0.001 0.000 0.296 316 V C 1.107 177.214 176.094 0.022 0.000 1.035 316 V CA 1.003 63.321 62.300 0.030 0.000 1.084 316 V CB 1.191 33.032 31.823 0.031 0.000 0.953 316 V HN 0.957 nan 8.190 nan 0.000 0.483 317 G N 3.437 112.242 108.800 0.009 0.000 2.780 317 G HA2 0.235 4.194 3.960 -0.001 0.000 0.198 317 G HA3 0.235 4.194 3.960 -0.001 0.000 0.198 317 G C 0.392 175.295 174.900 0.005 0.000 1.067 317 G CA 0.286 45.389 45.100 0.005 0.000 0.765 317 G HN 0.620 nan 8.290 nan 0.000 0.581 318 T N 0.348 114.906 114.554 0.006 0.000 2.916 318 T HA 0.571 4.921 4.350 -0.001 0.000 0.298 318 T C -1.331 173.384 174.700 0.024 0.000 1.031 318 T CA -0.294 61.812 62.100 0.011 0.000 0.993 318 T CB 2.833 71.704 68.868 0.005 0.000 1.045 318 T HN -0.020 nan 8.240 nan 0.000 0.454 319 V N 3.194 123.124 119.914 0.027 0.000 2.540 319 V HA 0.649 4.769 4.120 -0.001 0.000 0.302 319 V C -0.280 175.841 176.094 0.044 0.000 1.035 319 V CA -0.726 61.598 62.300 0.041 0.000 0.873 319 V CB 1.923 33.766 31.823 0.035 0.000 0.992 319 V HN 0.735 nan 8.190 nan 0.000 0.428 320 K N 2.554 122.997 120.400 0.071 0.000 2.565 320 K HA 0.407 4.727 4.320 -0.001 0.000 0.249 320 K C -1.529 175.135 176.600 0.106 0.000 0.958 320 K CA -0.666 55.660 56.287 0.064 0.000 0.806 320 K CB 1.832 34.352 32.500 0.033 0.000 1.194 320 K HN 0.718 nan 8.250 nan 0.000 0.434 321 D N 2.219 122.673 120.400 0.090 0.000 2.312 321 D HA 0.203 4.843 4.640 -0.001 0.000 0.252 321 D C -1.018 175.377 176.300 0.158 0.000 1.150 321 D CA 0.017 54.098 54.000 0.135 0.000 0.870 321 D CB 1.106 41.962 40.800 0.094 0.000 1.153 321 D HN 0.053 nan 8.370 nan 0.000 0.457 322 V N 3.908 123.939 119.914 0.195 0.000 2.448 322 V HA 0.199 4.319 4.120 -0.001 0.000 0.295 322 V C -0.398 175.725 176.094 0.048 0.000 1.025 322 V CA -1.000 61.356 62.300 0.094 0.000 0.859 322 V CB 1.864 33.701 31.823 0.023 0.000 0.988 322 V HN 0.475 nan 8.190 nan 0.000 0.431 323 D N 2.991 123.352 120.400 -0.066 0.000 2.417 323 D HA 0.204 4.843 4.640 -0.001 0.000 0.250 323 D C 0.816 177.022 176.300 -0.156 0.000 1.166 323 D CA 0.235 54.078 54.000 -0.263 0.000 0.881 323 D CB 1.681 42.357 40.800 -0.207 0.000 1.164 323 D HN 0.452 nan 8.370 nan 0.000 0.467 324 V N 0.019 119.830 119.914 -0.173 0.000 3.548 324 V HA 0.277 4.397 4.120 -0.001 0.000 0.279 324 V C 0.489 176.536 176.094 -0.080 0.000 1.446 324 V CA 0.424 62.675 62.300 -0.081 0.000 1.023 324 V CB -0.083 31.718 31.823 -0.036 0.000 0.820 324 V HN 0.476 nan 8.190 nan 0.000 0.438 325 S N -1.000 114.630 115.700 -0.116 0.000 2.752 325 S HA 0.810 5.280 4.470 -0.001 0.000 0.284 325 S C 0.951 175.498 174.600 -0.089 0.000 1.189 325 S CA 0.121 58.276 58.200 -0.075 0.000 0.835 325 S CB 1.095 64.270 63.200 -0.043 0.000 1.192 325 S HN 0.967 nan 8.310 nan 0.000 0.506 326 A N 0.364 123.156 122.820 -0.046 0.000 1.972 326 A HA 0.115 4.435 4.320 -0.001 0.000 0.219 326 A C 1.965 179.537 177.584 -0.021 0.000 1.169 326 A CA 2.350 54.368 52.037 -0.031 0.000 0.635 326 A CB -1.196 17.798 19.000 -0.010 0.000 0.810 326 A HN 0.906 nan 8.150 nan 0.000 0.446 327 T N -2.331 112.216 114.554 -0.013 0.000 2.975 327 T HA 0.581 4.930 4.350 -0.001 0.000 0.257 327 T C 0.433 175.173 174.700 0.067 0.000 1.003 327 T CA 0.647 62.768 62.100 0.035 0.000 0.932 327 T CB -0.151 68.738 68.868 0.035 0.000 1.087 327 T HN 0.574 nan 8.240 nan 0.000 0.512 328 A N 0.200 123.012 122.820 -0.013 0.000 2.387 328 A HA 0.838 5.157 4.320 -0.001 0.000 0.298 328 A C -1.427 176.055 177.584 -0.171 0.000 1.165 328 A CA -0.523 51.534 52.037 0.034 0.000 0.814 328 A CB 0.942 19.952 19.000 0.017 0.000 1.357 328 A HN 0.554 nan 8.150 nan 0.000 0.443 329 H N -0.827 118.248 119.070 0.008 0.000 2.996 329 H HA 0.635 5.191 4.556 -0.001 0.000 0.368 329 H C -0.618 174.710 175.328 0.000 0.000 1.185 329 H CA -0.460 55.598 56.048 0.017 0.000 1.160 329 H CB 1.568 31.343 29.762 0.021 0.000 1.820 329 H HN 0.703 nan 8.280 nan 0.000 0.547 330 R N 1.757 122.338 120.500 0.135 0.000 2.534 330 R HA 0.518 4.858 4.340 -0.001 0.000 0.301 330 R C -0.942 175.425 176.300 0.111 0.000 0.961 330 R CA -1.138 54.992 56.100 0.050 0.000 0.871 330 R CB 1.240 31.547 30.300 0.012 0.000 1.170 330 R HN 0.570 nan 8.270 nan 0.000 0.446 331 R N 3.669 124.168 120.500 -0.002 0.000 2.205 331 R HA 0.145 4.484 4.340 -0.001 0.000 0.342 331 R C -1.474 174.826 176.300 0.001 0.000 1.058 331 R CA -0.122 56.007 56.100 0.048 0.000 0.904 331 R CB 0.098 30.406 30.300 0.013 0.000 1.089 331 R HN 0.479 nan 8.270 nan 0.000 0.471 332 Y N 4.229 124.522 120.300 -0.013 0.000 2.585 332 Y HA 0.136 4.686 4.550 -0.000 0.000 0.354 332 Y C 0.293 176.183 175.900 -0.018 0.000 1.024 332 Y CA -0.225 57.864 58.100 -0.019 0.000 1.321 332 Y CB 1.041 39.491 38.460 -0.016 0.000 1.151 332 Y HN 0.348 nan 8.280 nan 0.000 0.525 333 V N 3.141 123.082 119.914 0.046 0.000 2.364 333 V HA 0.583 4.703 4.120 -0.001 0.000 0.272 333 V C -0.186 175.910 176.094 0.003 0.000 1.036 333 V CA -0.311 62.005 62.300 0.027 0.000 0.880 333 V CB 0.550 32.379 31.823 0.010 0.000 0.991 333 V HN 0.643 nan 8.190 nan 0.000 0.460 334 S N 4.613 120.318 115.700 0.008 0.000 2.654 334 S HA 0.876 5.345 4.470 -0.001 0.000 0.283 334 S C -0.357 174.208 174.600 -0.059 0.000 1.180 334 S CA -0.614 57.571 58.200 -0.025 0.000 1.021 334 S CB 1.947 65.144 63.200 -0.006 0.000 1.018 334 S HN 0.929 nan 8.310 nan 0.000 0.532 335 V N 0.422 120.272 119.914 -0.107 0.000 3.188 335 V HA 0.241 4.360 4.120 -0.001 0.000 0.305 335 V C 0.437 176.470 176.094 -0.102 0.000 1.232 335 V CA -0.649 61.565 62.300 -0.144 0.000 1.043 335 V CB 2.327 33.927 31.823 -0.372 0.000 1.068 335 V HN 0.978 nan 8.190 nan 0.000 0.439 336 D N 1.140 121.541 120.400 0.001 0.000 2.190 336 D HA -0.094 4.545 4.640 -0.001 0.000 0.200 336 D C 0.841 177.170 176.300 0.048 0.000 0.992 336 D CA 1.950 55.987 54.000 0.061 0.000 0.854 336 D CB 0.377 41.279 40.800 0.170 0.000 0.936 336 D HN 0.719 nan 8.370 nan 0.000 0.462 337 G N -1.566 107.284 108.800 0.082 0.000 3.341 337 G HA2 0.573 4.533 3.960 -0.001 0.000 0.177 337 G HA3 0.573 4.533 3.960 -0.001 0.000 0.177 337 G C 0.019 174.953 174.900 0.056 0.000 1.236 337 G CA 0.289 45.478 45.100 0.148 0.000 0.888 337 G HN 0.500 nan 8.290 nan 0.000 0.644 341 D N 0.789 121.324 120.400 0.225 0.000 2.500 341 D HA 0.379 5.019 4.640 -0.001 0.000 0.217 341 D C 0.143 176.609 176.300 0.277 0.000 1.159 341 D CA -0.170 53.988 54.000 0.264 0.000 0.828 341 D CB 0.251 41.228 40.800 0.294 0.000 1.039 341 D HN 0.238 nan 8.370 nan 0.000 0.512 342 N N 0.540 119.362 118.700 0.203 0.000 2.747 342 N HA 0.152 4.891 4.740 -0.001 0.000 0.262 342 N C -1.151 174.444 175.510 0.142 0.000 1.261 342 N CA -0.376 52.780 53.050 0.177 0.000 0.809 342 N CB 1.026 39.568 38.487 0.091 0.000 1.450 342 N HN 0.200 nan 8.380 nan 0.000 0.560 343 I N 2.482 123.133 120.570 0.133 0.000 4.057 343 I HA 0.211 4.381 4.170 -0.001 0.000 0.334 343 I C 1.663 177.801 176.117 0.034 0.000 1.308 343 I CA -0.051 61.279 61.300 0.050 0.000 1.125 343 I CB 0.231 38.221 38.000 -0.017 0.000 1.034 343 I HN 0.336 nan 8.210 nan 0.000 0.401 344 R N -0.086 120.515 120.500 0.169 0.000 2.127 344 R HA -0.152 4.188 4.340 -0.001 0.000 0.238 344 R C 1.906 178.302 176.300 0.161 0.000 1.134 344 R CA 2.001 58.241 56.100 0.234 0.000 0.975 344 R CB -0.686 29.887 30.300 0.455 0.000 0.865 344 R HN 0.344 nan 8.270 nan 0.000 0.447 345 T N 0.844 115.515 114.554 0.196 0.000 2.701 345 T HA -0.101 4.248 4.350 -0.001 0.000 0.263 345 T C 1.978 176.700 174.700 0.038 0.000 1.040 345 T CA 1.436 63.616 62.100 0.134 0.000 1.147 345 T CB -0.220 68.756 68.868 0.179 0.000 0.865 345 T HN 0.383 nan 8.240 nan 0.000 0.426 346 A N 0.760 123.585 122.820 0.008 0.000 1.972 346 A HA 0.043 4.363 4.320 -0.001 0.000 0.219 346 A C 2.201 179.726 177.584 -0.099 0.000 1.169 346 A CA 1.216 53.231 52.037 -0.037 0.000 0.635 346 A CB -0.521 18.454 19.000 -0.042 0.000 0.810 346 A HN 0.417 nan 8.150 nan 0.000 0.446 347 L N -2.756 118.354 121.223 -0.188 0.000 2.253 347 L HA 0.199 4.538 4.340 -0.001 0.000 0.205 347 L C 1.651 178.280 176.870 -0.402 0.000 1.078 347 L CA 1.536 56.151 54.840 -0.375 0.000 0.805 347 L CB -0.223 41.469 42.059 -0.611 0.000 0.963 347 L HN 0.425 nan 8.230 nan 0.000 0.459 348 Y N -0.872 119.401 120.300 -0.045 0.000 2.445 348 Y HA 0.471 5.021 4.550 -0.001 0.000 0.247 348 Y C 1.567 177.408 175.900 -0.098 0.000 1.129 348 Y CA -0.077 57.974 58.100 -0.083 0.000 1.251 348 Y CB 0.408 38.804 38.460 -0.107 0.000 1.176 348 Y HN 0.142 nan 8.280 nan 0.000 0.522 349 G N 1.454 110.278 108.800 0.039 0.000 2.198 349 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.257 349 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.257 349 G C 0.343 175.219 174.900 -0.039 0.000 1.042 349 G CA -0.008 45.091 45.100 -0.003 0.000 0.791 349 G HN 0.601 nan 8.290 nan 0.000 0.502 350 A N -0.882 121.911 122.820 -0.046 0.000 2.448 350 A HA 0.603 4.923 4.320 -0.001 0.000 0.239 350 A C 0.584 178.043 177.584 -0.209 0.000 1.080 350 A CA 0.622 52.528 52.037 -0.218 0.000 0.779 350 A CB 0.331 19.147 19.000 -0.307 0.000 1.026 350 A HN 0.688 nan 8.150 nan 0.000 0.499 351 Q N -0.551 119.038 119.800 -0.352 0.000 2.356 351 Q HA 0.580 4.920 4.340 -0.001 0.000 0.270 351 Q C -1.899 173.932 176.000 -0.282 0.000 1.058 351 Q CA -0.148 55.543 55.803 -0.187 0.000 0.802 351 Q CB 2.234 30.925 28.738 -0.078 0.000 1.303 351 Q HN 0.725 nan 8.270 nan 0.000 0.444 352 Y N -0.139 120.216 120.300 0.091 0.000 2.536 352 Y HA 0.284 4.833 4.550 -0.001 0.000 0.347 352 Y C -0.291 175.689 175.900 0.134 0.000 1.000 352 Y CA -0.980 57.207 58.100 0.146 0.000 1.051 352 Y CB 1.930 40.470 38.460 0.132 0.000 1.259 352 Y HN 0.537 nan 8.280 nan 0.000 0.468 353 D N 1.237 121.819 120.400 0.302 0.000 2.210 353 D HA 0.411 5.050 4.640 -0.001 0.000 0.249 353 D C -1.403 175.061 176.300 0.274 0.000 1.062 353 D CA 0.088 54.244 54.000 0.260 0.000 0.891 353 D CB 1.861 42.801 40.800 0.233 0.000 1.186 353 D HN 0.316 nan 8.370 nan 0.000 0.432 354 V N 3.627 123.731 119.914 0.317 0.000 2.841 354 V HA 0.688 4.808 4.120 -0.001 0.000 0.310 354 V C -1.223 175.080 176.094 0.348 0.000 1.090 354 V CA -0.603 61.892 62.300 0.326 0.000 0.930 354 V CB 2.008 33.962 31.823 0.218 0.000 1.014 354 V HN 0.539 nan 8.190 nan 0.000 0.425 355 R N 3.426 124.144 120.500 0.362 0.000 2.673 355 R HA 0.649 4.989 4.340 -0.001 0.000 0.281 355 R C -1.340 175.034 176.300 0.123 0.000 0.991 355 R CA -0.605 55.621 56.100 0.210 0.000 0.896 355 R CB 1.920 32.278 30.300 0.096 0.000 1.201 355 R HN 0.795 nan 8.270 nan 0.000 0.457 356 L N 3.233 124.500 121.223 0.073 0.000 2.410 356 L HA 0.257 4.597 4.340 -0.001 0.000 0.273 356 L C -0.139 176.730 176.870 -0.001 0.000 1.152 356 L CA 0.650 55.518 54.840 0.046 0.000 0.855 356 L CB 1.351 43.435 42.059 0.042 0.000 1.129 356 L HN 0.581 nan 8.230 nan 0.000 0.463 357 V N 2.735 122.652 119.914 0.006 0.000 3.426 357 V HA 0.065 4.185 4.120 -0.001 0.000 0.279 357 V C 1.401 177.488 176.094 -0.011 0.000 1.544 357 V CA 1.021 63.307 62.300 -0.023 0.000 1.017 357 V CB 0.978 32.802 31.823 0.002 0.000 0.821 357 V HN 1.021 nan 8.190 nan 0.000 0.432 358 S N 0.999 116.703 115.700 0.006 0.000 2.535 358 S HA 0.295 4.764 4.470 -0.001 0.000 0.214 358 S C 0.723 175.325 174.600 0.002 0.000 0.980 358 S CA 0.015 58.221 58.200 0.009 0.000 0.907 358 S CB 0.165 63.377 63.200 0.021 0.000 0.790 358 S HN 0.749 nan 8.310 nan 0.000 0.510 359 R N -0.941 119.557 120.500 -0.003 0.000 2.789 359 R HA 0.616 4.956 4.340 -0.001 0.000 0.279 359 R C -2.171 174.123 176.300 -0.010 0.000 1.010 359 R CA -0.791 55.306 56.100 -0.005 0.000 0.855 359 R CB 1.040 31.342 30.300 0.003 0.000 1.312 359 R HN 0.224 nan 8.270 nan 0.000 0.479 360 V N 0.627 120.535 119.914 -0.009 0.000 2.540 360 V HA 0.630 4.750 4.120 -0.001 0.000 0.302 360 V C -0.967 175.127 176.094 -0.000 0.000 1.035 360 V CA -0.175 62.120 62.300 -0.010 0.000 0.873 360 V CB 1.707 33.520 31.823 -0.018 0.000 0.992 360 V HN 0.822 nan 8.190 nan 0.000 0.428 361 S N 3.697 119.401 115.700 0.006 0.000 2.489 361 S HA 0.478 4.947 4.470 -0.001 0.000 0.291 361 S C 0.266 174.874 174.600 0.012 0.000 1.151 361 S CA -0.591 57.616 58.200 0.012 0.000 1.082 361 S CB 1.410 64.623 63.200 0.022 0.000 1.019 361 S HN 0.877 nan 8.310 nan 0.000 0.492 362 D N 2.744 123.150 120.400 0.011 0.000 2.328 362 D HA 0.215 4.855 4.640 -0.001 0.000 0.221 362 D C 0.671 176.980 176.300 0.015 0.000 1.072 362 D CA 0.150 54.156 54.000 0.010 0.000 0.850 362 D CB 0.294 41.098 40.800 0.007 0.000 0.922 362 D HN 0.575 nan 8.370 nan 0.000 0.516 363 A N 2.343 125.176 122.820 0.021 0.000 2.351 363 A HA 0.442 4.762 4.320 -0.001 0.000 0.257 363 A C -2.102 175.503 177.584 0.036 0.000 1.087 363 A CA -0.974 51.080 52.037 0.028 0.000 0.798 363 A CB 0.229 19.248 19.000 0.032 0.000 1.033 363 A HN -0.078 nan 8.150 nan 0.000 0.488 364 P HA 0.300 nan 4.420 nan 0.000 0.274 364 P C -2.790 174.562 177.300 0.087 0.000 1.237 364 P CA -1.370 61.759 63.100 0.049 0.000 0.793 364 P CB 0.066 31.794 31.700 0.047 0.000 0.977 365 P HA 0.190 nan 4.420 nan 0.000 0.278 365 P C -0.778 176.744 177.300 0.369 0.000 1.238 365 P CA -0.076 63.155 63.100 0.219 0.000 0.794 365 P CB 0.969 32.748 31.700 0.133 0.000 0.955 366 V N 3.729 123.900 119.914 0.429 0.000 2.841 366 V HA 0.394 4.514 4.120 -0.001 0.000 0.310 366 V C -2.387 173.713 176.094 0.011 0.000 1.090 366 V CA -2.320 60.147 62.300 0.277 0.000 0.930 366 V CB 2.692 34.592 31.823 0.127 0.000 1.014 366 V HN 0.546 nan 8.190 nan 0.000 0.425 367 P HA 0.543 nan 4.420 nan 0.000 0.275 367 P C -1.049 176.001 177.300 -0.417 0.000 1.228 367 P CA -0.038 62.546 63.100 -0.861 0.000 0.786 367 P CB 1.438 32.628 31.700 -0.849 0.000 0.927 368 A N 2.576 125.147 122.820 -0.416 0.000 2.602 368 A HA 0.756 5.076 4.320 -0.001 0.000 0.290 368 A C -1.102 176.294 177.584 -0.314 0.000 1.114 368 A CA -0.726 51.144 52.037 -0.278 0.000 0.683 368 A CB 1.719 20.627 19.000 -0.155 0.000 1.281 368 A HN 0.478 nan 8.150 nan 0.000 0.416 369 R N 0.319 120.595 120.500 -0.374 0.000 2.538 369 R HA 0.503 4.842 4.340 -0.001 0.000 0.292 369 R C -2.023 174.125 176.300 -0.254 0.000 1.008 369 R CA -0.699 55.161 56.100 -0.401 0.000 0.896 369 R CB 1.786 31.601 30.300 -0.808 0.000 1.187 369 R HN 0.660 nan 8.270 nan 0.000 0.440 370 L N 4.231 125.370 121.223 -0.139 0.000 2.289 370 L HA 0.549 4.889 4.340 -0.001 0.000 0.285 370 L C -1.083 175.735 176.870 -0.087 0.000 1.049 370 L CA -0.277 54.506 54.840 -0.096 0.000 0.804 370 L CB 1.742 43.762 42.059 -0.066 0.000 1.195 370 L HN 0.326 nan 8.230 nan 0.000 0.428 371 V N 4.328 124.193 119.914 -0.082 0.000 2.888 371 V HA 0.752 4.872 4.120 -0.001 0.000 0.309 371 V C 0.369 176.427 176.094 -0.060 0.000 1.114 371 V CA -0.147 62.140 62.300 -0.022 0.000 0.940 371 V CB 2.067 33.940 31.823 0.083 0.000 1.021 371 V HN 0.902 nan 8.190 nan 0.000 0.426 372 G N 2.350 111.140 108.800 -0.016 0.000 2.525 372 G HA2 0.389 4.349 3.960 -0.001 0.000 0.287 372 G HA3 0.389 4.349 3.960 -0.001 0.000 0.287 372 G C 0.363 175.244 174.900 -0.032 0.000 1.350 372 G CA 0.103 45.188 45.100 -0.025 0.000 1.039 372 G HN 0.841 nan 8.290 nan 0.000 0.513 373 K N -0.875 119.454 120.400 -0.117 0.000 2.373 373 K HA 0.156 4.476 4.320 -0.001 0.000 0.202 373 K C -0.219 176.264 176.600 -0.195 0.000 1.025 373 K CA -0.333 55.860 56.287 -0.156 0.000 1.115 373 K CB 0.002 32.390 32.500 -0.187 0.000 0.858 373 K HN 0.474 nan 8.250 nan 0.000 0.525 374 H N 0.487 119.532 119.070 -0.043 0.000 2.551 374 H HA 0.106 4.662 4.556 -0.001 0.000 0.358 374 H C -0.126 175.154 175.328 -0.081 0.000 1.151 374 H CA -0.375 55.610 56.048 -0.105 0.000 1.374 374 H CB 1.268 30.989 29.762 -0.069 0.000 1.473 374 H HN 0.138 nan 8.280 nan 0.000 0.574 375 C N 2.739 122.032 119.300 -0.011 0.000 3.247 375 C HA 0.162 4.622 4.460 -0.001 0.000 0.573 375 C C 0.906 175.930 174.990 0.056 0.000 1.106 375 C CA 0.037 59.054 59.018 -0.001 0.000 1.209 375 C CB -2.153 25.566 27.740 -0.035 0.000 1.460 375 C HN 0.639 nan 8.230 nan 0.000 0.634 376 E N 0.046 120.304 120.200 0.097 0.000 2.347 376 E HA 0.169 4.519 4.350 -0.001 0.000 0.285 376 E C 0.612 177.266 176.600 0.091 0.000 0.925 376 E CA -0.068 56.402 56.400 0.116 0.000 0.779 376 E CB 1.245 31.067 29.700 0.205 0.000 1.233 376 E HN 0.291 nan 8.360 nan 0.000 0.414 377 S N 2.219 117.956 115.700 0.062 0.000 2.461 377 S HA 0.017 4.487 4.470 -0.001 0.000 0.228 377 S C 1.518 176.159 174.600 0.070 0.000 1.005 377 S CA 0.974 59.206 58.200 0.054 0.000 0.942 377 S CB 0.110 63.327 63.200 0.028 0.000 0.776 377 S HN 0.554 nan 8.310 nan 0.000 0.514 378 G N 0.956 109.793 108.800 0.062 0.000 2.848 378 G HA2 0.034 3.994 3.960 -0.001 0.000 0.208 378 G HA3 0.034 3.994 3.960 -0.001 0.000 0.208 378 G C 0.202 175.138 174.900 0.061 0.000 1.152 378 G CA 0.154 45.285 45.100 0.051 0.000 0.789 378 G HN 0.594 nan 8.290 nan 0.000 0.531 379 D N 1.012 121.467 120.400 0.091 0.000 2.498 379 D HA 0.206 4.845 4.640 -0.001 0.000 0.229 379 D C 0.001 176.357 176.300 0.093 0.000 1.188 379 D CA -0.194 53.873 54.000 0.111 0.000 1.028 379 D CB -0.519 40.389 40.800 0.181 0.000 1.087 379 D HN 0.114 nan 8.370 nan 0.000 0.510 380 I N 3.686 124.296 120.570 0.067 0.000 2.498 380 I HA 0.236 4.405 4.170 -0.001 0.000 0.290 380 I C 0.950 177.092 176.117 0.043 0.000 1.032 380 I CA -0.843 60.485 61.300 0.047 0.000 1.073 380 I CB 2.103 40.129 38.000 0.043 0.000 1.251 380 I HN 0.191 nan 8.210 nan 0.000 0.426 381 I N 5.297 125.874 120.570 0.012 0.000 2.628 381 I HA 0.071 4.240 4.170 -0.001 0.000 0.255 381 I C 0.021 176.186 176.117 0.080 0.000 1.119 381 I CA 0.817 62.127 61.300 0.017 0.000 1.448 381 I CB 0.402 38.351 38.000 -0.086 0.000 1.133 381 I HN 0.220 nan 8.210 nan 0.000 0.438 382 V N 1.148 121.091 119.914 0.049 0.000 2.524 382 V HA 0.281 4.401 4.120 -0.001 0.000 0.297 382 V C 0.718 176.818 176.094 0.010 0.000 1.035 382 V CA -0.697 61.656 62.300 0.088 0.000 0.867 382 V CB 1.845 33.731 31.823 0.106 0.000 1.004 382 V HN 0.117 nan 8.190 nan 0.000 0.426 383 R N 2.190 122.700 120.500 0.016 0.000 2.057 383 R HA 0.025 4.364 4.340 -0.001 0.000 0.229 383 R C -0.119 176.129 176.300 -0.087 0.000 1.136 383 R CA 1.285 57.364 56.100 -0.036 0.000 0.952 383 R CB 0.377 30.670 30.300 -0.012 0.000 0.848 383 R HN 0.750 nan 8.270 nan 0.000 0.430 384 D N 0.944 121.312 120.400 -0.054 0.000 2.440 384 D HA 0.149 4.789 4.640 -0.001 0.000 0.252 384 D C -0.580 175.690 176.300 -0.050 0.000 1.180 384 D CA -0.092 53.850 54.000 -0.097 0.000 0.894 384 D CB 1.918 42.675 40.800 -0.072 0.000 1.111 384 D HN 0.292 nan 8.370 nan 0.000 0.544 385 T N -1.917 112.573 114.554 -0.106 0.000 2.724 385 T HA 0.685 5.035 4.350 -0.001 0.000 0.274 385 T C -0.788 173.795 174.700 -0.195 0.000 0.984 385 T CA -0.794 61.308 62.100 0.005 0.000 1.024 385 T CB 1.493 70.413 68.868 0.087 0.000 1.320 385 T HN 0.207 nan 8.240 nan 0.000 0.555 386 W N -0.542 120.787 121.300 0.048 0.000 2.761 386 W HA 0.748 5.408 4.660 -0.000 0.000 0.340 386 W C -1.055 175.492 176.519 0.047 0.000 1.072 386 W CA -0.645 56.725 57.345 0.042 0.000 1.215 386 W CB 2.047 31.536 29.460 0.047 0.000 1.420 386 W HN 0.568 nan 8.180 nan 0.000 0.519 387 V N 3.274 123.330 119.914 0.237 0.000 2.925 387 V HA 0.509 4.628 4.120 -0.001 0.000 0.311 387 V C -2.292 173.893 176.094 0.153 0.000 1.104 387 V CA -2.617 59.776 62.300 0.154 0.000 0.954 387 V CB 2.793 34.665 31.823 0.081 0.000 1.022 387 V HN 0.245 nan 8.190 nan 0.000 0.427 388 P HA 0.178 nan 4.420 nan 0.000 0.271 388 P C 0.039 177.384 177.300 0.075 0.000 1.216 388 P CA 0.039 63.195 63.100 0.092 0.000 0.776 388 P CB 0.633 32.373 31.700 0.066 0.000 0.881 389 D N 1.718 122.161 120.400 0.070 0.000 2.310 389 D HA -0.160 4.480 4.640 -0.001 0.000 0.212 389 D C 0.726 177.049 176.300 0.038 0.000 0.965 389 D CA 1.070 55.103 54.000 0.056 0.000 0.879 389 D CB -0.155 40.677 40.800 0.054 0.000 0.921 389 D HN 0.338 nan 8.370 nan 0.000 0.510 390 D N -0.450 119.972 120.400 0.036 0.000 2.368 390 D HA -0.015 4.624 4.640 -0.001 0.000 0.218 390 D C 0.948 177.265 176.300 0.028 0.000 1.112 390 D CA -0.543 53.473 54.000 0.027 0.000 0.834 390 D CB -0.824 39.990 40.800 0.023 0.000 0.953 390 D HN 0.292 nan 8.370 nan 0.000 0.505 391 I N 1.260 121.851 120.570 0.035 0.000 2.880 391 I HA -0.050 4.119 4.170 -0.001 0.000 0.296 391 I C 0.294 176.429 176.117 0.030 0.000 1.220 391 I CA 0.454 61.775 61.300 0.035 0.000 1.435 391 I CB 0.250 38.276 38.000 0.043 0.000 1.339 391 I HN 0.080 nan 8.210 nan 0.000 0.583 392 R N 7.932 128.449 120.500 0.028 0.000 2.604 392 R HA 0.427 4.766 4.340 -0.001 0.000 0.261 392 R C -3.132 173.182 176.300 0.023 0.000 1.080 392 R CA -1.431 54.683 56.100 0.023 0.000 0.917 392 R CB 1.914 32.226 30.300 0.020 0.000 1.252 392 R HN 0.212 nan 8.270 nan 0.000 0.456 393 P HA 0.109 nan 4.420 nan 0.000 0.266 393 P C 0.591 177.903 177.300 0.020 0.000 1.195 393 P CA 1.548 64.660 63.100 0.020 0.000 0.768 393 P CB 0.739 32.448 31.700 0.015 0.000 0.838 394 G N 1.877 110.691 108.800 0.024 0.000 2.284 394 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.216 394 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.216 394 G C -0.030 174.888 174.900 0.030 0.000 1.009 394 G CA -0.259 44.856 45.100 0.024 0.000 0.625 394 G HN 0.519 nan 8.290 nan 0.000 0.501 395 D N 0.829 121.248 120.400 0.032 0.000 2.362 395 D HA 0.540 5.180 4.640 -0.001 0.000 0.242 395 D C 0.748 177.078 176.300 0.049 0.000 1.132 395 D CA 0.183 54.205 54.000 0.037 0.000 0.907 395 D CB 0.920 41.742 40.800 0.037 0.000 1.195 395 D HN 0.334 nan 8.370 nan 0.000 0.429 396 L N 1.571 122.825 121.223 0.052 0.000 2.296 396 L HA 0.414 4.754 4.340 -0.001 0.000 0.286 396 L C 0.131 177.050 176.870 0.083 0.000 1.023 396 L CA -1.032 53.850 54.840 0.069 0.000 0.812 396 L CB 1.450 43.543 42.059 0.057 0.000 1.223 396 L HN 0.121 nan 8.230 nan 0.000 0.421 397 V N 0.362 120.348 119.914 0.121 0.000 2.850 397 V HA 0.988 5.108 4.120 -0.001 0.000 0.315 397 V C -0.096 176.111 176.094 0.188 0.000 1.064 397 V CA -0.580 61.810 62.300 0.150 0.000 0.979 397 V CB 1.705 33.623 31.823 0.159 0.000 1.039 397 V HN 0.821 nan 8.190 nan 0.000 0.452 398 A N 2.334 125.295 122.820 0.236 0.000 2.386 398 A HA 0.857 5.177 4.320 -0.001 0.000 0.311 398 A C -0.682 177.105 177.584 0.338 0.000 1.068 398 A CA -0.690 51.503 52.037 0.260 0.000 0.743 398 A CB 1.819 21.007 19.000 0.313 0.000 1.258 398 A HN 1.183 nan 8.150 nan 0.000 0.429 399 V N 1.144 121.153 119.914 0.158 0.000 2.617 399 V HA 0.557 4.676 4.120 -0.001 0.000 0.298 399 V C 1.167 177.165 176.094 -0.160 0.000 1.048 399 V CA 0.427 62.748 62.300 0.035 0.000 0.964 399 V CB 1.509 33.319 31.823 -0.022 0.000 1.004 399 V HN 1.215 nan 8.190 nan 0.000 0.466 400 A N 2.673 125.320 122.820 -0.289 0.000 2.229 400 A HA 0.715 5.035 4.320 -0.001 0.000 0.211 400 A C 1.049 178.410 177.584 -0.371 0.000 1.193 400 A CA 0.719 52.318 52.037 -0.730 0.000 0.879 400 A CB 0.349 18.600 19.000 -1.249 0.000 0.911 400 A HN 1.223 nan 8.150 nan 0.000 0.492 401 A N 0.227 123.029 122.820 -0.031 0.000 3.300 401 A HA 0.502 4.822 4.320 -0.001 0.000 0.300 401 A C 0.455 178.164 177.584 0.210 0.000 1.099 401 A CA 0.508 52.540 52.037 -0.008 0.000 0.846 401 A CB -0.635 18.205 19.000 -0.267 0.000 1.255 401 A HN 0.477 nan 8.150 nan 0.000 0.519 402 T N -3.329 111.318 114.554 0.155 0.000 3.044 402 T HA 0.226 4.576 4.350 -0.001 0.000 0.260 402 T C 1.418 176.287 174.700 0.282 0.000 1.019 402 T CA 0.925 63.170 62.100 0.241 0.000 0.921 402 T CB 0.527 69.435 68.868 0.066 0.000 1.053 402 T HN 0.625 nan 8.240 nan 0.000 0.533 403 G N 1.056 109.955 108.800 0.164 0.000 2.650 403 G HA2 0.451 4.411 3.960 -0.001 0.000 0.214 403 G HA3 0.451 4.411 3.960 -0.001 0.000 0.214 403 G C 0.508 175.440 174.900 0.054 0.000 1.136 403 G CA 0.191 45.318 45.100 0.045 0.000 0.789 403 G HN 0.829 nan 8.290 nan 0.000 0.536 404 A N -1.089 121.829 122.820 0.163 0.000 2.330 404 A HA 0.654 4.974 4.320 -0.001 0.000 0.313 404 A C 0.214 177.969 177.584 0.284 0.000 1.124 404 A CA -0.664 51.445 52.037 0.120 0.000 0.774 404 A CB 0.835 19.945 19.000 0.183 0.000 1.198 404 A HN 0.579 nan 8.150 nan 0.000 0.465 405 Y N -0.068 120.384 120.300 0.253 0.000 4.155 405 Y HA -0.404 4.146 4.550 -0.001 0.000 0.345 405 Y C 2.046 178.107 175.900 0.267 0.000 1.140 405 Y CA 1.204 59.455 58.100 0.252 0.000 2.047 405 Y CB -2.463 36.149 38.460 0.253 0.000 0.946 405 Y HN 0.667 nan 8.280 nan 0.000 0.456 406 C N -0.901 118.634 119.300 0.392 0.000 2.496 406 C HA -0.200 4.259 4.460 -0.001 0.000 0.281 406 C C 2.423 177.592 174.990 0.298 0.000 1.250 406 C CA 1.568 60.811 59.018 0.375 0.000 1.717 406 C CB -1.367 26.645 27.740 0.452 0.000 2.082 406 C HN 0.663 nan 8.230 nan 0.000 0.472 407 Y N 2.791 123.101 120.300 0.017 0.000 2.224 407 Y HA -0.193 4.356 4.550 -0.001 0.000 0.289 407 Y C 2.626 178.553 175.900 0.044 0.000 1.146 407 Y CA 1.940 59.942 58.100 -0.162 0.000 1.182 407 Y CB -0.387 37.672 38.460 -0.668 0.000 0.983 407 Y HN 0.370 nan 8.280 nan 0.000 0.524 408 S N 0.037 115.910 115.700 0.287 0.000 2.419 408 S HA -0.158 4.312 4.470 -0.001 0.000 0.233 408 S C 1.723 176.392 174.600 0.115 0.000 1.016 408 S CA 1.443 59.765 58.200 0.204 0.000 0.974 408 S CB -0.532 62.776 63.200 0.179 0.000 0.786 408 S HN 0.468 nan 8.310 nan 0.000 0.492 409 L N 2.385 123.691 121.223 0.138 0.000 2.591 409 L HA 0.148 4.488 4.340 -0.001 0.000 0.228 409 L C 0.979 177.864 176.870 0.025 0.000 1.133 409 L CA -0.298 54.601 54.840 0.099 0.000 0.880 409 L CB -0.500 41.651 42.059 0.153 0.000 1.033 409 L HN 0.257 nan 8.230 nan 0.000 0.450 410 S N -0.281 115.393 115.700 -0.044 0.000 2.560 410 S HA 0.240 4.710 4.470 -0.001 0.000 0.276 410 S C 0.313 174.877 174.600 -0.059 0.000 1.350 410 S CA -0.294 57.859 58.200 -0.077 0.000 1.024 410 S CB 1.085 64.132 63.200 -0.257 0.000 0.864 410 S HN 0.321 nan 8.310 nan 0.000 0.536 411 S N 1.065 116.756 115.700 -0.014 0.000 2.806 411 S HA 0.609 5.078 4.470 -0.001 0.000 0.306 411 S C -0.624 174.011 174.600 0.058 0.000 1.167 411 S CA -1.284 56.919 58.200 0.006 0.000 0.847 411 S CB 1.298 64.493 63.200 -0.009 0.000 1.216 411 S HN 0.736 nan 8.310 nan 0.000 0.532 412 R N 0.288 120.838 120.500 0.084 0.000 2.997 412 R HA 0.266 4.605 4.340 -0.001 0.000 0.358 412 R C -0.975 175.433 176.300 0.180 0.000 1.191 412 R CA -0.331 55.839 56.100 0.116 0.000 1.113 412 R CB 0.149 30.495 30.300 0.076 0.000 1.433 412 R HN 0.672 nan 8.270 nan 0.000 0.584 413 Y N 1.782 122.106 120.300 0.040 0.000 2.497 413 Y HA -0.079 4.470 4.550 -0.001 0.000 0.334 413 Y C 0.346 176.340 175.900 0.158 0.000 1.199 413 Y CA 0.247 58.354 58.100 0.013 0.000 1.425 413 Y CB 0.458 38.800 38.460 -0.197 0.000 1.291 413 Y HN 0.453 nan 8.280 nan 0.000 0.562 417 G N 3.137 111.983 108.800 0.076 0.000 2.554 417 G HA2 0.331 4.290 3.960 -0.001 0.000 0.238 417 G HA3 0.331 4.290 3.960 -0.001 0.000 0.238 417 G C 0.082 175.037 174.900 0.091 0.000 1.259 417 G CA -0.359 44.786 45.100 0.075 0.000 0.843 417 G HN 0.720 nan 8.290 nan 0.000 0.582 418 R N 1.771 122.317 120.500 0.075 0.000 2.585 418 R HA 0.061 4.401 4.340 -0.001 0.000 0.275 418 R C -2.107 174.299 176.300 0.177 0.000 1.018 418 R CA -0.830 55.319 56.100 0.081 0.000 1.072 418 R CB 0.260 30.559 30.300 -0.001 0.000 0.953 418 R HN 0.320 nan 8.270 nan 0.000 0.419 419 P HA -0.069 nan 4.420 nan 0.000 0.268 419 P C -0.712 176.791 177.300 0.340 0.000 1.208 419 P CA 0.228 63.505 63.100 0.296 0.000 0.777 419 P CB 0.605 32.538 31.700 0.389 0.000 0.875 420 A N 2.028 124.994 122.820 0.243 0.000 2.346 420 A HA 0.443 4.762 4.320 -0.001 0.000 0.252 420 A C -0.412 177.290 177.584 0.196 0.000 1.089 420 A CA -0.008 52.142 52.037 0.189 0.000 0.797 420 A CB 0.096 19.178 19.000 0.138 0.000 1.047 420 A HN 0.362 nan 8.150 nan 0.000 0.494 421 V N 0.823 120.773 119.914 0.060 0.000 2.709 421 V HA 0.571 4.691 4.120 -0.001 0.000 0.308 421 V C -0.589 175.445 176.094 -0.101 0.000 1.062 421 V CA -0.498 61.792 62.300 -0.016 0.000 0.901 421 V CB 1.573 33.282 31.823 -0.190 0.000 1.003 421 V HN 0.711 nan 8.190 nan 0.000 0.425 422 V N 2.839 122.684 119.914 -0.115 0.000 2.789 422 V HA 0.887 5.006 4.120 -0.001 0.000 0.311 422 V C -0.069 175.979 176.094 -0.076 0.000 1.073 422 V CA -0.372 61.799 62.300 -0.214 0.000 0.921 422 V CB 2.277 33.850 31.823 -0.417 0.000 1.009 422 V HN 1.085 nan 8.190 nan 0.000 0.426 423 A N 4.054 126.859 122.820 -0.025 0.000 2.324 423 A HA 0.893 5.212 4.320 -0.001 0.000 0.330 423 A C -0.689 176.936 177.584 0.068 0.000 1.165 423 A CA -0.505 51.582 52.037 0.084 0.000 0.813 423 A CB 1.664 20.787 19.000 0.204 0.000 1.197 423 A HN 1.547 nan 8.150 nan 0.000 0.484 424 V N 0.646 120.611 119.914 0.085 0.000 2.487 424 V HA 0.791 4.911 4.120 -0.001 0.000 0.298 424 V C -0.879 175.288 176.094 0.122 0.000 1.028 424 V CA -0.478 61.875 62.300 0.089 0.000 0.860 424 V CB 1.115 32.981 31.823 0.071 0.000 0.991 424 V HN 1.077 nan 8.190 nan 0.000 0.427 425 H N 4.185 123.245 119.070 -0.016 0.000 2.806 425 H HA 0.729 5.285 4.556 -0.001 0.000 0.367 425 H C 0.297 175.609 175.328 -0.028 0.000 1.136 425 H CA 0.000 56.019 56.048 -0.049 0.000 1.178 425 H CB 1.918 31.626 29.762 -0.090 0.000 1.718 425 H HN 1.501 nan 8.280 nan 0.000 0.540 426 A N 2.937 125.494 122.820 -0.438 0.000 1.700 426 A HA 0.175 4.494 4.320 -0.001 0.000 0.334 426 A C 1.703 179.188 177.584 -0.164 0.000 0.978 426 A CA 1.928 53.793 52.037 -0.287 0.000 1.490 426 A CB -1.909 16.869 19.000 -0.370 0.000 0.700 426 A HN 1.965 nan 8.150 nan 0.000 0.210 427 G N 0.804 109.559 108.800 -0.076 0.000 2.195 427 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.246 427 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.246 427 G C -0.008 174.886 174.900 -0.009 0.000 0.984 427 G CA 0.293 45.370 45.100 -0.038 0.000 0.633 427 G HN 1.072 nan 8.290 nan 0.000 0.525 428 N N 0.569 119.268 118.700 -0.003 0.000 2.430 428 N HA 0.655 5.395 4.740 -0.001 0.000 0.290 428 N C -0.094 175.458 175.510 0.070 0.000 1.063 428 N CA 0.491 53.559 53.050 0.029 0.000 0.883 428 N CB 1.833 40.324 38.487 0.006 0.000 1.465 428 N HN 0.622 nan 8.380 nan 0.000 0.493 429 A N 2.350 125.231 122.820 0.102 0.000 2.281 429 A HA 0.847 5.167 4.320 -0.001 0.000 0.329 429 A C -0.112 177.553 177.584 0.135 0.000 1.122 429 A CA -0.539 51.572 52.037 0.124 0.000 0.850 429 A CB 1.102 20.226 19.000 0.207 0.000 1.207 429 A HN 0.761 nan 8.150 nan 0.000 0.495 430 R N 0.902 121.440 120.500 0.064 0.000 2.647 430 R HA 0.389 4.728 4.340 -0.001 0.000 0.260 430 R C -2.319 173.947 176.300 -0.056 0.000 1.154 430 R CA -0.653 55.485 56.100 0.064 0.000 1.029 430 R CB 0.614 30.961 30.300 0.078 0.000 1.262 430 R HN 0.695 nan 8.270 nan 0.000 0.437 431 L N 5.069 126.276 121.223 -0.027 0.000 2.367 431 L HA 0.262 4.601 4.340 -0.001 0.000 0.275 431 L C -0.156 176.695 176.870 -0.031 0.000 1.129 431 L CA 0.452 55.236 54.840 -0.093 0.000 0.839 431 L CB 1.738 43.828 42.059 0.052 0.000 1.133 431 L HN 0.704 nan 8.230 nan 0.000 0.453 432 V N 4.563 124.442 119.914 -0.058 0.000 2.806 432 V HA 0.238 4.358 4.120 -0.001 0.000 0.239 432 V C -0.066 175.993 176.094 -0.059 0.000 1.113 432 V CA 0.108 62.377 62.300 -0.053 0.000 1.137 432 V CB 0.202 31.977 31.823 -0.080 0.000 0.865 432 V HN 0.484 nan 8.190 nan 0.000 0.482 433 L N 1.330 122.515 121.223 -0.063 0.000 2.362 433 L HA 0.543 4.883 4.340 -0.001 0.000 0.275 433 L C -0.006 176.878 176.870 0.024 0.000 0.998 433 L CA -0.527 54.291 54.840 -0.037 0.000 0.820 433 L CB 1.667 43.663 42.059 -0.107 0.000 1.270 433 L HN 0.368 nan 8.230 nan 0.000 0.415 434 R N 2.239 122.774 120.500 0.058 0.000 2.573 434 R HA 0.738 5.077 4.340 -0.001 0.000 0.272 434 R C -0.176 176.193 176.300 0.115 0.000 1.009 434 R CA -0.870 55.279 56.100 0.083 0.000 1.059 434 R CB 1.256 31.599 30.300 0.072 0.000 1.112 434 R HN 0.652 nan 8.270 nan 0.000 0.517 435 R N 1.567 122.141 120.500 0.122 0.000 2.539 435 R HA 0.120 4.459 4.340 -0.001 0.000 0.275 435 R C -0.813 175.549 176.300 0.103 0.000 1.077 435 R CA -0.280 55.898 56.100 0.130 0.000 1.097 435 R CB 0.819 31.197 30.300 0.130 0.000 1.018 435 R HN 0.674 nan 8.270 nan 0.000 0.483 436 E N 1.223 121.483 120.200 0.100 0.000 2.374 436 E HA 0.129 4.478 4.350 -0.001 0.000 0.260 436 E C -0.386 176.252 176.600 0.064 0.000 1.101 436 E CA -0.020 56.425 56.400 0.076 0.000 0.907 436 E CB 1.306 31.047 29.700 0.069 0.000 1.014 436 E HN 0.818 nan 8.360 nan 0.000 0.427 437 T N -2.902 111.682 114.554 0.051 0.000 2.907 437 T HA 0.222 4.572 4.350 -0.001 0.000 0.290 437 T C 1.088 175.809 174.700 0.035 0.000 1.066 437 T CA -0.511 61.615 62.100 0.042 0.000 1.012 437 T CB 1.073 69.964 68.868 0.039 0.000 1.184 437 T HN 0.279 nan 8.240 nan 0.000 0.522 438 V N -1.273 118.659 119.914 0.030 0.000 2.720 438 V HA -0.061 4.058 4.120 -0.001 0.000 0.256 438 V C 1.692 177.800 176.094 0.023 0.000 1.082 438 V CA 1.777 64.092 62.300 0.025 0.000 1.101 438 V CB -1.070 30.765 31.823 0.020 0.000 0.693 438 V HN 0.787 nan 8.190 nan 0.000 0.479 439 D N 0.965 121.379 120.400 0.024 0.000 2.097 439 D HA -0.145 4.495 4.640 -0.001 0.000 0.197 439 D C 1.961 178.274 176.300 0.022 0.000 0.984 439 D CA 1.772 55.785 54.000 0.021 0.000 0.826 439 D CB -0.364 40.449 40.800 0.021 0.000 0.973 439 D HN 0.504 nan 8.370 nan 0.000 0.460 440 D N 0.381 120.796 120.400 0.026 0.000 2.126 440 D HA -0.162 4.478 4.640 -0.001 0.000 0.190 440 D C 2.161 178.476 176.300 0.025 0.000 1.001 440 D CA 0.549 54.566 54.000 0.027 0.000 0.841 440 D CB -0.304 40.517 40.800 0.034 0.000 0.949 440 D HN 0.109 nan 8.370 nan 0.000 0.446 441 L N 0.189 121.428 121.223 0.028 0.000 2.189 441 L HA -0.159 4.181 4.340 -0.001 0.000 0.214 441 L C 2.094 178.978 176.870 0.022 0.000 1.097 441 L CA 1.090 55.946 54.840 0.027 0.000 0.764 441 L CB -0.505 41.572 42.059 0.029 0.000 0.900 441 L HN 0.075 nan 8.230 nan 0.000 0.436 442 L N -1.765 119.470 121.223 0.019 0.000 2.556 442 L HA 0.114 4.454 4.340 -0.001 0.000 0.226 442 L C 2.469 179.347 176.870 0.014 0.000 1.089 442 L CA 1.097 55.947 54.840 0.016 0.000 0.864 442 L CB -0.728 41.340 42.059 0.015 0.000 1.067 442 L HN 0.359 nan 8.230 nan 0.000 0.477 443 S N -0.488 115.221 115.700 0.015 0.000 2.440 443 S HA -0.165 4.305 4.470 -0.001 0.000 0.240 443 S C 1.556 176.162 174.600 0.010 0.000 1.014 443 S CA 1.131 59.338 58.200 0.012 0.000 0.980 443 S CB -0.494 62.714 63.200 0.013 0.000 0.775 443 S HN 0.490 nan 8.310 nan 0.000 0.499 444 L N 0.475 121.704 121.223 0.010 0.000 2.628 444 L HA 0.383 4.722 4.340 -0.001 0.000 0.229 444 L C 0.757 177.631 176.870 0.008 0.000 1.137 444 L CA -0.059 54.786 54.840 0.008 0.000 0.909 444 L CB -0.287 41.777 42.059 0.008 0.000 1.137 444 L HN 0.280 nan 8.230 nan 0.000 0.470 445 E N 0.847 121.052 120.200 0.009 0.000 2.319 445 E HA 0.429 4.779 4.350 -0.001 0.000 0.268 445 E C -0.506 176.098 176.600 0.007 0.000 1.050 445 E CA -0.316 56.089 56.400 0.008 0.000 0.878 445 E CB 2.499 32.205 29.700 0.009 0.000 1.066 445 E HN 0.027 nan 8.360 nan 0.000 0.406 446 V N 0.000 119.918 119.914 0.006 0.000 2.409 446 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 446 V CA 0.000 62.303 62.300 0.005 0.000 1.235 446 V CB 0.000 31.826 31.823 0.004 0.000 1.184 446 V HN 0.000 nan 8.190 nan 0.000 0.556