REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3c2w_1_A DATA FIRST_RESID 5 DATA SEQUENCE TPVTLANCED EPIHVPGAIQ PHGALVTLRA DGMVLAASEN IQALLGFVAS DATA SEQUENCE PGSYLTQEQV GPEVLRMLEE GLTGNGPWSN SVETRIGEHL FDVIGHSYKE DATA SEQUENCE VFYLEFEIRT ADTLSITSFT LNAQRIIAQV QLHNDTASLL SNVTDELRRM DATA SEQUENCE TGYDRVMAYR FRHDDSGEVV AESRREDLES YLGQRYPASD IPAQARRLYI DATA SEQUENCE QNPIRLIADV AYTPMRVFPA LNPETNESFD LSYSVLRSVS PIHCEYLTNM DATA SEQUENCE GVRASMSISI VVGGKLWGLF SCHHMSPKLI PYPVRMSFQI FSQVCSAIVE DATA SEQUENCE RLEQGRIAEL LRVSTERRLA LARRARDADD LFGALAHPDD GIAALIPCDG DATA SEQUENCE ALVMLGGRTL SIRGDFERQA GNVLQRLQRD PERDIYHTDN WXXXXXXXXX DATA SEQUENCE XXXCCGVLAI RFHRQESGWI FWFRHEEVHR IRWGGKPEKL LTIGPSGPRL DATA SEQUENCE TPRGSFEAWE EVVRGHSTPW SETDLAIAEK LRLDLMELCL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.714 174.700 0.023 0.000 1.109 5 T CA 0.000 62.112 62.100 0.021 0.000 1.349 5 T CB 0.000 68.880 68.868 0.020 0.000 0.612 6 P HA 0.317 nan 4.420 nan 0.000 0.265 6 P C 0.190 177.506 177.300 0.027 0.000 1.193 6 P CA -0.371 62.744 63.100 0.024 0.000 0.765 6 P CB 0.504 32.217 31.700 0.022 0.000 0.823 7 V N 1.218 121.151 119.914 0.031 0.000 2.485 7 V HA 0.298 4.418 4.120 -0.000 0.000 0.287 7 V C 1.010 177.123 176.094 0.032 0.000 1.022 7 V CA -0.120 62.201 62.300 0.035 0.000 1.067 7 V CB -0.321 31.528 31.823 0.043 0.000 0.967 7 V HN 0.909 nan 8.190 nan 0.000 0.479 8 T N 2.413 116.985 114.554 0.029 0.000 2.804 8 T HA 0.535 4.884 4.350 -0.000 0.000 0.272 8 T C 0.777 175.494 174.700 0.029 0.000 0.986 8 T CA -0.857 61.259 62.100 0.026 0.000 0.999 8 T CB 1.378 70.258 68.868 0.021 0.000 1.307 8 T HN 0.220 nan 8.240 nan 0.000 0.586 9 L N 0.300 121.538 121.223 0.024 0.000 2.179 9 L HA 0.224 4.564 4.340 -0.000 0.000 0.208 9 L C 3.012 179.896 176.870 0.024 0.000 1.096 9 L CA 1.921 56.776 54.840 0.026 0.000 0.779 9 L CB -1.991 40.080 42.059 0.021 0.000 0.922 9 L HN 0.943 nan 8.230 nan 0.000 0.443 10 A N -0.428 122.404 122.820 0.020 0.000 2.168 10 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 10 A C 2.061 179.656 177.584 0.019 0.000 1.152 10 A CA 1.523 53.570 52.037 0.017 0.000 0.716 10 A CB -0.520 18.488 19.000 0.014 0.000 0.794 10 A HN 0.484 nan 8.150 nan 0.000 0.465 11 N N -0.745 117.968 118.700 0.023 0.000 2.454 11 N HA -0.104 4.636 4.740 -0.000 0.000 0.177 11 N C 1.742 177.269 175.510 0.028 0.000 1.049 11 N CA 1.142 54.207 53.050 0.025 0.000 0.887 11 N CB -0.401 38.102 38.487 0.026 0.000 1.095 11 N HN 0.516 nan 8.380 nan 0.000 0.446 12 C N 1.283 120.603 119.300 0.033 0.000 2.391 12 C HA -0.186 4.274 4.460 -0.000 0.000 0.276 12 C C 2.229 177.237 174.990 0.030 0.000 1.217 12 C CA 1.483 60.524 59.018 0.038 0.000 1.766 12 C CB -1.563 26.206 27.740 0.048 0.000 2.046 12 C HN 0.628 nan 8.230 nan 0.000 0.475 13 E N 0.606 120.820 120.200 0.024 0.000 2.187 13 E HA -0.229 4.121 4.350 -0.000 0.000 0.199 13 E C 1.146 177.754 176.600 0.012 0.000 1.004 13 E CA 1.961 58.370 56.400 0.015 0.000 0.813 13 E CB -0.424 29.283 29.700 0.012 0.000 0.736 13 E HN 0.652 nan 8.360 nan 0.000 0.468 14 D N 0.508 120.920 120.400 0.019 0.000 2.479 14 D HA 0.036 4.676 4.640 -0.000 0.000 0.218 14 D C -0.349 175.974 176.300 0.037 0.000 1.177 14 D CA -0.109 53.905 54.000 0.023 0.000 0.830 14 D CB 0.258 41.071 40.800 0.021 0.000 1.014 14 D HN 0.281 nan 8.370 nan 0.000 0.503 15 E N 2.527 122.751 120.200 0.040 0.000 2.413 15 E HA 0.028 4.378 4.350 -0.000 0.000 0.263 15 E C -2.206 174.442 176.600 0.080 0.000 1.015 15 E CA -1.111 55.321 56.400 0.053 0.000 0.916 15 E CB 0.941 30.670 29.700 0.049 0.000 0.947 15 E HN -0.120 nan 8.360 nan 0.000 0.440 16 P HA 0.190 nan 4.420 nan 0.000 0.227 16 P C -0.168 177.245 177.300 0.189 0.000 1.815 16 P CA -0.243 62.991 63.100 0.223 0.000 1.134 16 P CB -0.012 31.787 31.700 0.166 0.000 1.795 17 I N 0.958 121.629 120.570 0.169 0.000 3.334 17 I HA -0.137 4.033 4.170 -0.000 0.000 0.282 17 I C 2.229 178.416 176.117 0.116 0.000 1.313 17 I CA 0.913 62.269 61.300 0.094 0.000 1.396 17 I CB -1.419 36.599 38.000 0.029 0.000 1.054 17 I HN 0.352 nan 8.210 nan 0.000 0.495 18 H N 1.041 120.109 119.070 -0.003 0.000 2.520 18 H HA 0.245 4.801 4.556 -0.000 0.000 0.279 18 H C 0.873 176.232 175.328 0.052 0.000 0.990 18 H CA 0.892 56.945 56.048 0.009 0.000 1.288 18 H CB -0.560 29.210 29.762 0.014 0.000 1.446 18 H HN 0.274 nan 8.280 nan 0.000 0.538 19 V N 0.097 119.680 119.914 -0.552 0.000 2.225 19 V HA 0.355 4.475 4.120 -0.000 0.000 0.264 19 V C -2.365 173.658 176.094 -0.118 0.000 1.067 19 V CA -1.508 60.596 62.300 -0.326 0.000 0.903 19 V CB 1.456 33.019 31.823 -0.434 0.000 1.136 19 V HN 0.018 nan 8.190 nan 0.000 0.456 20 P HA 0.318 nan 4.420 nan 0.000 0.218 20 P C 1.285 178.586 177.300 0.001 0.000 1.151 20 P CA 1.638 64.737 63.100 -0.001 0.000 0.850 20 P CB 0.289 32.002 31.700 0.020 0.000 0.801 21 G N -0.961 107.844 108.800 0.010 0.000 2.157 21 G HA2 0.002 3.962 3.960 -0.000 0.000 0.248 21 G HA3 0.002 3.962 3.960 -0.000 0.000 0.248 21 G C 0.290 175.137 174.900 -0.088 0.000 0.979 21 G CA 0.016 45.107 45.100 -0.014 0.000 0.650 21 G HN 0.761 nan 8.290 nan 0.000 0.529 22 A N -0.746 122.041 122.820 -0.055 0.000 2.483 22 A HA 1.020 5.340 4.320 -0.000 0.000 0.286 22 A C -0.134 177.431 177.584 -0.031 0.000 1.207 22 A CA -0.339 51.651 52.037 -0.077 0.000 0.764 22 A CB 1.438 20.398 19.000 -0.068 0.000 1.341 22 A HN 1.712 nan 8.150 nan 0.000 0.428 23 I N -3.343 117.209 120.570 -0.030 0.000 3.343 23 I HA 0.555 4.725 4.170 -0.000 0.000 0.315 23 I C -0.928 175.233 176.117 0.072 0.000 1.153 23 I CA -1.035 60.276 61.300 0.019 0.000 0.952 23 I CB 1.778 39.770 38.000 -0.013 0.000 1.287 23 I HN 0.624 nan 8.210 nan 0.000 0.472 24 Q N 1.457 121.336 119.800 0.132 0.000 2.259 24 Q HA 0.329 4.668 4.340 -0.000 0.000 0.249 24 Q C -2.035 174.017 176.000 0.087 0.000 0.914 24 Q CA -1.545 54.430 55.803 0.285 0.000 0.904 24 Q CB 1.485 30.470 28.738 0.413 0.000 1.213 24 Q HN 0.433 nan 8.270 nan 0.000 0.428 25 P HA -0.108 nan 4.420 nan 0.000 0.237 25 P C 0.152 177.497 177.300 0.075 0.000 1.178 25 P CA 1.015 64.161 63.100 0.076 0.000 0.766 25 P CB 0.014 31.768 31.700 0.090 0.000 0.876 26 H N -2.744 116.373 119.070 0.079 0.000 2.547 26 H HA 0.386 4.942 4.556 -0.000 0.000 0.266 26 H C 0.828 176.173 175.328 0.027 0.000 0.988 26 H CA 0.005 56.070 56.048 0.028 0.000 1.147 26 H CB -0.226 29.545 29.762 0.016 0.000 1.365 26 H HN -0.010 nan 8.280 nan 0.000 0.589 27 G N -0.985 107.649 108.800 -0.276 0.000 2.788 27 G HA2 0.712 4.671 3.960 -0.000 0.000 0.293 27 G HA3 0.712 4.671 3.960 -0.000 0.000 0.293 27 G C -1.614 173.294 174.900 0.014 0.000 1.392 27 G CA -0.770 44.272 45.100 -0.097 0.000 0.810 27 G HN 0.535 nan 8.290 nan 0.000 0.508 28 A N -0.973 121.931 122.820 0.140 0.000 2.454 28 A HA 0.840 5.160 4.320 -0.000 0.000 0.302 28 A C -1.601 176.099 177.584 0.193 0.000 1.079 28 A CA -0.601 51.503 52.037 0.112 0.000 0.731 28 A CB 2.044 21.072 19.000 0.047 0.000 1.299 28 A HN 1.727 nan 8.150 nan 0.000 0.413 29 L N 1.382 122.670 121.223 0.108 0.000 2.408 29 L HA 0.827 5.167 4.340 -0.000 0.000 0.268 29 L C -1.610 175.305 176.870 0.075 0.000 0.986 29 L CA -0.387 54.520 54.840 0.111 0.000 0.820 29 L CB 2.297 44.384 42.059 0.046 0.000 1.303 29 L HN 0.453 nan 8.230 nan 0.000 0.411 30 V N 3.138 123.119 119.914 0.113 0.000 2.447 30 V HA 0.482 4.602 4.120 -0.000 0.000 0.292 30 V C 0.015 176.089 176.094 -0.032 0.000 1.021 30 V CA -0.191 62.136 62.300 0.044 0.000 0.850 30 V CB 1.765 33.676 31.823 0.147 0.000 1.005 30 V HN 0.895 nan 8.190 nan 0.000 0.426 31 T N 4.189 118.631 114.554 -0.187 0.000 2.882 31 T HA 0.769 5.119 4.350 -0.000 0.000 0.287 31 T C -0.658 173.900 174.700 -0.237 0.000 0.992 31 T CA -0.343 61.549 62.100 -0.347 0.000 1.076 31 T CB 1.203 69.631 68.868 -0.733 0.000 0.961 31 T HN 0.194 nan 8.240 nan 0.000 0.490 32 L N 2.201 123.315 121.223 -0.180 0.000 2.286 32 L HA 0.721 5.061 4.340 -0.000 0.000 0.265 32 L C 0.555 177.370 176.870 -0.092 0.000 1.012 32 L CA -0.959 53.803 54.840 -0.131 0.000 0.818 32 L CB 2.061 44.032 42.059 -0.145 0.000 1.337 32 L HN 0.972 nan 8.230 nan 0.000 0.438 33 R N -0.071 120.374 120.500 -0.092 0.000 2.893 33 R HA 0.819 5.159 4.340 -0.000 0.000 0.245 33 R C 0.568 176.845 176.300 -0.038 0.000 1.192 33 R CA -0.187 55.889 56.100 -0.040 0.000 1.077 33 R CB 0.664 30.945 30.300 -0.032 0.000 1.253 33 R HN 0.513 nan 8.270 nan 0.000 0.505 34 A N 0.385 123.203 122.820 -0.004 0.000 2.032 34 A HA -0.254 4.066 4.320 -0.000 0.000 0.221 34 A C 1.230 178.801 177.584 -0.023 0.000 1.165 34 A CA 2.098 54.135 52.037 0.002 0.000 0.645 34 A CB -0.971 18.038 19.000 0.016 0.000 0.807 34 A HN 0.907 nan 8.150 nan 0.000 0.453 35 D N -3.861 116.527 120.400 -0.020 0.000 2.367 35 D HA 0.337 4.977 4.640 -0.000 0.000 0.207 35 D C 1.146 177.459 176.300 0.021 0.000 1.034 35 D CA 1.086 55.100 54.000 0.023 0.000 0.861 35 D CB -0.135 40.717 40.800 0.087 0.000 0.943 35 D HN 0.739 nan 8.370 nan 0.000 0.515 36 G N -0.003 108.725 108.800 -0.120 0.000 2.205 36 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.180 36 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.180 36 G C 0.098 174.707 174.900 -0.484 0.000 1.004 36 G CA -0.032 44.942 45.100 -0.210 0.000 0.670 36 G HN 0.401 nan 8.290 nan 0.000 0.496 37 M N 2.839 122.037 119.600 -0.671 0.000 2.194 37 M HA 0.541 5.021 4.480 -0.000 0.000 0.347 37 M C 0.597 176.652 176.300 -0.408 0.000 1.439 37 M CA -0.341 54.417 55.300 -0.903 0.000 1.131 37 M CB 0.818 32.998 32.600 -0.699 0.000 1.733 37 M HN -0.010 nan 8.290 nan 0.000 0.467 38 V N 7.355 127.073 119.914 -0.326 0.000 2.625 38 V HA -0.174 3.945 4.120 -0.000 0.000 0.305 38 V C 1.170 177.200 176.094 -0.107 0.000 1.055 38 V CA 0.821 63.024 62.300 -0.162 0.000 1.209 38 V CB 0.087 31.856 31.823 -0.090 0.000 0.877 38 V HN 0.962 nan 8.190 nan 0.000 0.489 39 L N 3.765 124.942 121.223 -0.077 0.000 2.537 39 L HA 0.543 4.883 4.340 -0.000 0.000 0.224 39 L C 0.750 177.646 176.870 0.044 0.000 1.065 39 L CA 0.879 55.730 54.840 0.019 0.000 0.860 39 L CB 0.387 42.507 42.059 0.100 0.000 1.086 39 L HN 0.821 nan 8.230 nan 0.000 0.482 40 A N -0.697 122.073 122.820 -0.082 0.000 2.544 40 A HA 0.810 5.130 4.320 -0.000 0.000 0.291 40 A C -1.681 175.826 177.584 -0.128 0.000 1.055 40 A CA 0.150 52.131 52.037 -0.094 0.000 0.651 40 A CB 0.981 19.845 19.000 -0.226 0.000 1.296 40 A HN 0.020 nan 8.150 nan 0.000 0.431 41 A N -0.276 122.495 122.820 -0.081 0.000 2.515 41 A HA 0.943 5.263 4.320 -0.000 0.000 0.299 41 A C -0.099 177.436 177.584 -0.081 0.000 1.179 41 A CA 0.270 52.257 52.037 -0.082 0.000 0.656 41 A CB 0.406 19.368 19.000 -0.064 0.000 1.306 41 A HN 2.429 nan 8.150 nan 0.000 0.459 42 S N -0.824 114.828 115.700 -0.081 0.000 2.654 42 S HA 0.443 4.913 4.470 -0.000 0.000 0.283 42 S C 0.378 174.953 174.600 -0.042 0.000 1.180 42 S CA -0.006 58.140 58.200 -0.090 0.000 1.021 42 S CB 1.278 64.430 63.200 -0.080 0.000 1.018 42 S HN 0.665 nan 8.310 nan 0.000 0.532 43 E N 1.085 121.281 120.200 -0.006 0.000 2.333 43 E HA -0.186 4.164 4.350 -0.000 0.000 0.200 43 E C 0.612 177.208 176.600 -0.006 0.000 1.010 43 E CA 1.239 57.675 56.400 0.060 0.000 0.841 43 E CB -0.237 29.529 29.700 0.110 0.000 0.757 43 E HN 0.784 nan 8.360 nan 0.000 0.508 44 N N 0.250 118.925 118.700 -0.042 0.000 2.273 44 N HA -0.014 4.726 4.740 -0.000 0.000 0.231 44 N C 1.117 176.552 175.510 -0.124 0.000 1.134 44 N CA 0.001 53.016 53.050 -0.059 0.000 0.856 44 N CB -0.170 38.300 38.487 -0.030 0.000 1.068 44 N HN 0.072 nan 8.380 nan 0.000 0.510 45 I N -0.128 120.327 120.570 -0.191 0.000 2.127 45 I HA -0.259 3.911 4.170 -0.000 0.000 0.241 45 I C 2.516 178.393 176.117 -0.401 0.000 1.075 45 I CA 1.476 62.550 61.300 -0.378 0.000 1.334 45 I CB -1.220 36.495 38.000 -0.475 0.000 1.040 45 I HN 0.207 nan 8.210 nan 0.000 0.405 46 Q N 0.875 120.509 119.800 -0.277 0.000 2.124 46 Q HA -0.168 4.171 4.340 -0.000 0.000 0.202 46 Q C 2.237 178.161 176.000 -0.126 0.000 0.977 46 Q CA 1.985 57.669 55.803 -0.198 0.000 0.850 46 Q CB -0.194 28.476 28.738 -0.114 0.000 0.901 46 Q HN 0.638 nan 8.270 nan 0.000 0.429 47 A N 0.002 122.766 122.820 -0.095 0.000 1.855 47 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 47 A C 1.825 179.397 177.584 -0.020 0.000 1.191 47 A CA 1.196 53.209 52.037 -0.040 0.000 0.613 47 A CB -0.444 18.546 19.000 -0.017 0.000 0.829 47 A HN 0.374 nan 8.150 nan 0.000 0.442 48 L N -0.632 120.569 121.223 -0.036 0.000 2.071 48 L HA 0.081 4.421 4.340 -0.000 0.000 0.201 48 L C 2.346 179.175 176.870 -0.069 0.000 1.076 48 L CA 1.236 56.101 54.840 0.042 0.000 0.755 48 L CB -0.694 41.439 42.059 0.123 0.000 0.915 48 L HN 0.315 nan 8.230 nan 0.000 0.445 49 L N -0.577 120.475 121.223 -0.284 0.000 2.395 49 L HA 0.165 4.505 4.340 -0.000 0.000 0.218 49 L C 0.977 177.761 176.870 -0.144 0.000 1.130 49 L CA 0.521 55.114 54.840 -0.412 0.000 0.826 49 L CB -0.999 40.634 42.059 -0.709 0.000 0.941 49 L HN 0.530 nan 8.230 nan 0.000 0.451 50 G N 1.461 110.184 108.800 -0.129 0.000 2.385 50 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.294 50 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.294 50 G C -0.242 174.736 174.900 0.129 0.000 1.070 50 G CA 0.363 45.456 45.100 -0.011 0.000 1.172 50 G HN 0.491 nan 8.290 nan 0.000 0.516 51 F N -3.018 116.862 119.950 -0.117 0.000 2.985 51 F HA 0.553 5.080 4.527 -0.000 0.000 0.332 51 F C -1.379 174.364 175.800 -0.095 0.000 1.126 51 F CA -1.436 56.504 58.000 -0.099 0.000 0.884 51 F CB 0.606 39.538 39.000 -0.113 0.000 1.361 51 F HN 0.496 nan 8.300 nan 0.000 0.450 52 V N 1.962 121.885 119.914 0.016 0.000 2.483 52 V HA 0.804 4.924 4.120 -0.000 0.000 0.297 52 V C -0.001 176.126 176.094 0.056 0.000 1.027 52 V CA -0.484 61.748 62.300 -0.114 0.000 0.855 52 V CB 1.234 33.033 31.823 -0.041 0.000 0.995 52 V HN 1.224 nan 8.190 nan 0.000 0.424 53 A N 3.439 126.233 122.820 -0.043 0.000 2.347 53 A HA 0.605 4.925 4.320 -0.000 0.000 0.287 53 A C 0.438 178.040 177.584 0.029 0.000 1.199 53 A CA -0.019 52.061 52.037 0.071 0.000 0.851 53 A CB 0.155 19.180 19.000 0.041 0.000 1.118 53 A HN 0.731 nan 8.150 nan 0.000 0.525 54 S N 4.713 120.441 115.700 0.046 0.000 2.422 54 S HA 0.430 4.899 4.470 -0.000 0.000 0.298 54 S C -2.577 172.034 174.600 0.018 0.000 1.118 54 S CA -0.919 57.299 58.200 0.030 0.000 1.083 54 S CB 0.767 63.990 63.200 0.038 0.000 0.971 54 S HN 0.542 nan 8.310 nan 0.000 0.478 55 P HA 0.133 nan 4.420 nan 0.000 0.258 55 P C 0.956 178.263 177.300 0.012 0.000 1.187 55 P CA 1.068 64.175 63.100 0.012 0.000 0.767 55 P CB 0.094 31.816 31.700 0.035 0.000 0.770 56 G N 1.802 110.596 108.800 -0.011 0.000 2.218 56 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 56 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 56 G C 0.489 175.418 174.900 0.049 0.000 0.994 56 G CA 0.162 45.272 45.100 0.017 0.000 0.637 56 G HN 0.750 nan 8.290 nan 0.000 0.505 57 S N -0.727 114.982 115.700 0.016 0.000 2.655 57 S HA 0.783 5.253 4.470 -0.000 0.000 0.265 57 S C -0.260 174.343 174.600 0.004 0.000 1.240 57 S CA -0.289 57.962 58.200 0.084 0.000 0.986 57 S CB 0.880 64.118 63.200 0.063 0.000 0.985 57 S HN 0.419 nan 8.310 nan 0.000 0.562 58 Y N 0.581 120.873 120.300 -0.014 0.000 2.462 58 Y HA 0.463 5.013 4.550 -0.000 0.000 0.346 58 Y C -0.248 175.630 175.900 -0.037 0.000 0.976 58 Y CA -1.400 56.681 58.100 -0.031 0.000 1.044 58 Y CB 1.286 39.722 38.460 -0.041 0.000 1.230 58 Y HN 0.381 nan 8.280 nan 0.000 0.455 59 L N 2.614 123.874 121.223 0.061 0.000 2.397 59 L HA 0.291 4.631 4.340 -0.000 0.000 0.271 59 L C 0.534 177.387 176.870 -0.028 0.000 1.148 59 L CA -0.110 54.727 54.840 -0.004 0.000 0.825 59 L CB 0.461 42.503 42.059 -0.029 0.000 1.117 59 L HN 0.752 nan 8.230 nan 0.000 0.456 60 T N -0.858 113.645 114.554 -0.086 0.000 2.925 60 T HA 0.244 4.594 4.350 -0.000 0.000 0.285 60 T C 0.736 175.364 174.700 -0.119 0.000 1.021 60 T CA -0.651 61.396 62.100 -0.088 0.000 1.042 60 T CB 1.704 70.519 68.868 -0.088 0.000 1.037 60 T HN 0.630 nan 8.240 nan 0.000 0.481 61 Q N 0.032 119.779 119.800 -0.089 0.000 2.297 61 Q HA -0.168 4.172 4.340 -0.000 0.000 0.208 61 Q C 1.750 177.685 176.000 -0.109 0.000 0.981 61 Q CA 1.671 57.422 55.803 -0.086 0.000 0.876 61 Q CB -0.020 28.683 28.738 -0.060 0.000 0.921 61 Q HN 0.842 nan 8.270 nan 0.000 0.446 62 E N 0.142 120.268 120.200 -0.124 0.000 2.051 62 E HA -0.150 4.200 4.350 -0.000 0.000 0.189 62 E C 1.809 178.275 176.600 -0.224 0.000 0.979 62 E CA 1.336 57.655 56.400 -0.135 0.000 0.803 62 E CB 0.070 29.705 29.700 -0.107 0.000 0.761 62 E HN 0.403 nan 8.360 nan 0.000 0.451 63 Q N -0.834 118.765 119.800 -0.334 0.000 2.096 63 Q HA -0.091 4.249 4.340 -0.000 0.000 0.204 63 Q C 1.362 176.906 176.000 -0.760 0.000 0.982 63 Q CA 1.602 56.986 55.803 -0.700 0.000 0.850 63 Q CB 0.219 28.438 28.738 -0.866 0.000 0.901 63 Q HN 0.199 nan 8.270 nan 0.000 0.422 64 V N -0.884 118.773 119.914 -0.429 0.000 3.329 64 V HA 0.307 4.427 4.120 -0.000 0.000 0.317 64 V C -0.113 175.929 176.094 -0.087 0.000 1.495 64 V CA 0.541 62.693 62.300 -0.248 0.000 1.105 64 V CB 0.498 32.243 31.823 -0.129 0.000 0.985 64 V HN 0.525 nan 8.190 nan 0.000 0.475 65 G N 1.438 110.179 108.800 -0.098 0.000 2.856 65 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.674 65 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.674 65 G C -1.704 173.180 174.900 -0.027 0.000 1.519 65 G CA -0.137 44.935 45.100 -0.046 0.000 0.940 65 G HN 0.307 nan 8.290 nan 0.000 0.564 66 P HA 0.035 nan 4.420 nan 0.000 0.215 66 P C 1.578 178.880 177.300 0.004 0.000 1.157 66 P CA 1.654 64.748 63.100 -0.011 0.000 0.859 66 P CB 0.039 31.736 31.700 -0.005 0.000 0.786 67 E N -0.499 119.713 120.200 0.020 0.000 2.147 67 E HA -0.146 4.204 4.350 -0.000 0.000 0.199 67 E C 1.931 178.554 176.600 0.039 0.000 1.005 67 E CA 1.192 57.614 56.400 0.036 0.000 0.810 67 E CB -1.179 28.552 29.700 0.051 0.000 0.736 67 E HN 0.076 nan 8.360 nan 0.000 0.460 68 V N 0.256 120.192 119.914 0.036 0.000 2.331 68 V HA -0.146 3.974 4.120 -0.000 0.000 0.242 68 V C 2.273 178.360 176.094 -0.011 0.000 1.034 68 V CA 1.091 63.410 62.300 0.031 0.000 1.027 68 V CB -0.516 31.350 31.823 0.072 0.000 0.667 68 V HN 0.237 nan 8.190 nan 0.000 0.457 69 L N -0.057 121.150 121.223 -0.026 0.000 2.051 69 L HA -0.293 4.047 4.340 -0.000 0.000 0.214 69 L C 2.827 179.657 176.870 -0.067 0.000 1.076 69 L CA 2.242 57.048 54.840 -0.058 0.000 0.758 69 L CB -0.430 41.597 42.059 -0.052 0.000 0.890 69 L HN 0.329 nan 8.230 nan 0.000 0.433 70 R N -0.194 120.284 120.500 -0.036 0.000 2.070 70 R HA -0.231 4.109 4.340 -0.000 0.000 0.233 70 R C 2.418 178.698 176.300 -0.034 0.000 1.137 70 R CA 1.838 57.920 56.100 -0.029 0.000 0.945 70 R CB -0.308 29.992 30.300 0.000 0.000 0.845 70 R HN 0.266 nan 8.270 nan 0.000 0.430 71 M N 0.325 119.927 119.600 0.003 0.000 2.106 71 M HA -0.213 4.267 4.480 -0.000 0.000 0.259 71 M C 1.860 178.091 176.300 -0.115 0.000 1.068 71 M CA 1.558 56.884 55.300 0.042 0.000 1.100 71 M CB -0.081 32.592 32.600 0.121 0.000 1.351 71 M HN 0.315 nan 8.290 nan 0.000 0.404 72 L N 0.075 121.193 121.223 -0.175 0.000 2.217 72 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 72 L C 1.709 178.351 176.870 -0.380 0.000 1.107 72 L CA 1.694 56.313 54.840 -0.369 0.000 0.783 72 L CB -0.718 41.162 42.059 -0.299 0.000 0.919 72 L HN 0.422 nan 8.230 nan 0.000 0.442 73 E N -0.364 119.695 120.200 -0.236 0.000 2.170 73 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 73 E C 1.734 178.211 176.600 -0.205 0.000 0.981 73 E CA 0.970 57.255 56.400 -0.192 0.000 0.830 73 E CB 0.204 29.835 29.700 -0.115 0.000 0.775 73 E HN 0.640 nan 8.360 nan 0.000 0.470 74 E N 0.227 120.303 120.200 -0.206 0.000 2.299 74 E HA 0.001 4.351 4.350 -0.000 0.000 0.193 74 E C 2.060 178.365 176.600 -0.492 0.000 0.998 74 E CA 0.748 57.023 56.400 -0.208 0.000 0.851 74 E CB -0.002 29.662 29.700 -0.060 0.000 0.795 74 E HN 0.146 nan 8.360 nan 0.000 0.492 75 G N 1.513 109.853 108.800 -0.767 0.000 2.402 75 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 75 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 75 G C 1.442 175.946 174.900 -0.660 0.000 1.162 75 G CA 0.539 44.778 45.100 -1.435 0.000 0.777 75 G HN 0.044 nan 8.290 nan 0.000 0.539 76 L N 1.459 122.412 121.223 -0.450 0.000 1.971 76 L HA 0.092 4.431 4.340 -0.000 0.000 0.208 76 L C 2.081 178.890 176.870 -0.102 0.000 1.083 76 L CA 1.689 56.400 54.840 -0.214 0.000 0.753 76 L CB -1.199 40.690 42.059 -0.283 0.000 0.893 76 L HN 0.223 nan 8.230 nan 0.000 0.436 77 T N -0.435 114.048 114.554 -0.118 0.000 3.182 77 T HA 0.499 4.849 4.350 -0.000 0.000 0.274 77 T C 0.315 174.983 174.700 -0.053 0.000 0.997 77 T CA -0.207 61.858 62.100 -0.059 0.000 1.082 77 T CB -0.635 68.201 68.868 -0.053 0.000 1.005 77 T HN 0.339 nan 8.240 nan 0.000 0.688 78 G N 2.594 111.387 108.800 -0.012 0.000 2.866 78 G HA2 0.437 4.397 3.960 -0.000 0.000 0.291 78 G HA3 0.437 4.397 3.960 -0.000 0.000 0.291 78 G C -0.546 174.414 174.900 0.100 0.000 1.476 78 G CA -0.689 44.423 45.100 0.020 0.000 1.048 78 G HN 0.520 nan 8.290 nan 0.000 0.542 79 N N 1.483 120.240 118.700 0.094 0.000 2.478 79 N HA 0.688 5.428 4.740 -0.000 0.000 0.275 79 N C 1.056 176.658 175.510 0.154 0.000 1.221 79 N CA 0.957 54.073 53.050 0.110 0.000 0.979 79 N CB 1.483 40.014 38.487 0.075 0.000 1.202 79 N HN 1.071 nan 8.380 nan 0.000 0.564 80 G N 0.563 109.447 108.800 0.140 0.000 2.726 80 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.261 80 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.261 80 G C -2.620 172.414 174.900 0.222 0.000 1.352 80 G CA -0.426 44.763 45.100 0.148 0.000 0.906 80 G HN 0.629 nan 8.290 nan 0.000 0.566 81 P HA 0.665 nan 4.420 nan 0.000 0.293 81 P C -0.533 176.923 177.300 0.259 0.000 1.291 81 P CA -0.502 62.684 63.100 0.144 0.000 0.867 81 P CB 0.862 32.594 31.700 0.053 0.000 1.074 82 W N -0.799 120.546 121.300 0.075 0.000 3.107 82 W HA 0.498 5.158 4.660 -0.000 0.000 0.331 82 W C -1.140 175.428 176.519 0.083 0.000 1.204 82 W CA -1.020 56.371 57.345 0.078 0.000 1.184 82 W CB 0.317 29.832 29.460 0.092 0.000 1.421 82 W HN 0.104 nan 8.180 nan 0.000 0.544 83 S N 2.370 118.226 115.700 0.260 0.000 2.549 83 S HA -0.039 4.431 4.470 -0.000 0.000 0.286 83 S C 0.973 175.706 174.600 0.221 0.000 1.314 83 S CA 0.121 58.407 58.200 0.143 0.000 1.062 83 S CB 0.267 63.564 63.200 0.162 0.000 0.865 83 S HN 0.467 nan 8.310 nan 0.000 0.498 84 N N 0.418 119.124 118.700 0.011 0.000 2.194 84 N HA 0.079 4.819 4.740 -0.000 0.000 0.231 84 N C -0.556 174.995 175.510 0.067 0.000 1.247 84 N CA -0.322 52.757 53.050 0.048 0.000 0.884 84 N CB 0.667 38.951 38.487 -0.339 0.000 1.146 84 N HN 0.307 nan 8.380 nan 0.000 0.516 85 S N 0.117 115.865 115.700 0.081 0.000 2.594 85 S HA 0.718 5.188 4.470 -0.000 0.000 0.296 85 S C -1.433 173.207 174.600 0.066 0.000 1.124 85 S CA -0.379 57.836 58.200 0.025 0.000 1.011 85 S CB 1.127 64.440 63.200 0.189 0.000 1.016 85 S HN -0.033 nan 8.310 nan 0.000 0.485 86 V N 4.355 124.292 119.914 0.037 0.000 2.760 86 V HA 0.499 4.619 4.120 -0.000 0.000 0.309 86 V C -0.471 175.669 176.094 0.077 0.000 1.077 86 V CA -0.833 61.506 62.300 0.066 0.000 0.910 86 V CB 2.079 33.944 31.823 0.070 0.000 1.008 86 V HN 0.898 nan 8.190 nan 0.000 0.424 87 E N 1.636 121.890 120.200 0.090 0.000 2.259 87 E HA 0.605 4.955 4.350 -0.000 0.000 0.281 87 E C -0.625 176.048 176.600 0.122 0.000 1.027 87 E CA -0.024 56.441 56.400 0.109 0.000 0.838 87 E CB 1.750 31.505 29.700 0.092 0.000 1.066 87 E HN 0.665 nan 8.360 nan 0.000 0.401 88 T N 2.685 117.340 114.554 0.169 0.000 3.393 88 T HA 0.196 4.546 4.350 -0.000 0.000 0.359 88 T C -1.280 173.557 174.700 0.228 0.000 1.380 88 T CA -0.725 61.473 62.100 0.163 0.000 1.132 88 T CB 0.675 69.624 68.868 0.134 0.000 1.284 88 T HN 0.337 nan 8.240 nan 0.000 0.477 89 R N 3.920 124.532 120.500 0.187 0.000 2.408 89 R HA 0.477 4.817 4.340 -0.000 0.000 0.308 89 R C -0.084 176.308 176.300 0.154 0.000 1.210 89 R CA -0.161 56.078 56.100 0.231 0.000 1.115 89 R CB 0.065 30.468 30.300 0.173 0.000 1.127 89 R HN 0.502 nan 8.270 nan 0.000 0.523 90 I N 3.633 124.266 120.570 0.104 0.000 2.281 90 I HA 0.276 4.446 4.170 -0.000 0.000 0.293 90 I C 1.126 177.230 176.117 -0.021 0.000 1.085 90 I CA 0.191 61.457 61.300 -0.057 0.000 1.257 90 I CB 0.746 38.590 38.000 -0.260 0.000 1.430 90 I HN 0.848 nan 8.210 nan 0.000 0.489 91 G N 6.253 115.077 108.800 0.040 0.000 2.488 91 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.237 91 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.237 91 G C 0.542 175.517 174.900 0.125 0.000 1.209 91 G CA 0.436 45.584 45.100 0.079 0.000 0.929 91 G HN 0.727 nan 8.290 nan 0.000 0.578 92 E N -0.787 119.504 120.200 0.152 0.000 2.060 92 E HA 0.093 4.443 4.350 -0.000 0.000 0.189 92 E C 1.436 178.121 176.600 0.142 0.000 0.974 92 E CA 1.331 57.796 56.400 0.108 0.000 0.808 92 E CB -0.277 29.454 29.700 0.052 0.000 0.768 92 E HN 0.704 nan 8.360 nan 0.000 0.453 93 H N -0.199 119.001 119.070 0.216 0.000 2.430 93 H HA 0.279 4.835 4.556 -0.000 0.000 0.359 93 H C -0.602 174.835 175.328 0.183 0.000 1.672 93 H CA -0.293 55.839 56.048 0.139 0.000 1.445 93 H CB 0.663 30.437 29.762 0.021 0.000 1.642 93 H HN 0.205 nan 8.280 nan 0.000 0.593 94 L N 1.788 123.189 121.223 0.297 0.000 2.287 94 L HA 0.288 4.627 4.340 -0.000 0.000 0.287 94 L C -1.528 175.349 176.870 0.012 0.000 1.022 94 L CA -0.154 54.803 54.840 0.195 0.000 0.814 94 L CB -0.055 42.087 42.059 0.139 0.000 1.217 94 L HN 0.241 nan 8.230 nan 0.000 0.420 95 F N 2.937 122.976 119.950 0.147 0.000 2.469 95 F HA 0.420 4.947 4.527 -0.000 0.000 0.332 95 F C 0.289 176.156 175.800 0.111 0.000 1.103 95 F CA -0.558 57.531 58.000 0.147 0.000 0.979 95 F CB 1.552 40.686 39.000 0.223 0.000 1.137 95 F HN 0.403 nan 8.300 nan 0.000 0.463 96 D N 3.106 123.629 120.400 0.205 0.000 2.396 96 D HA 0.268 4.908 4.640 -0.000 0.000 0.225 96 D C -0.728 175.590 176.300 0.030 0.000 1.121 96 D CA 0.060 54.120 54.000 0.100 0.000 0.853 96 D CB 1.848 42.686 40.800 0.063 0.000 1.043 96 D HN 0.108 nan 8.370 nan 0.000 0.500 97 V N 4.929 124.833 119.914 -0.017 0.000 2.385 97 V HA 0.336 4.456 4.120 -0.000 0.000 0.269 97 V C 0.478 176.429 176.094 -0.238 0.000 1.043 97 V CA -0.449 61.736 62.300 -0.192 0.000 0.906 97 V CB 0.907 32.607 31.823 -0.204 0.000 0.995 97 V HN 0.318 nan 8.190 nan 0.000 0.467 98 I N 4.581 124.968 120.570 -0.305 0.000 2.418 98 I HA 0.701 4.871 4.170 -0.000 0.000 0.287 98 I C 0.640 176.677 176.117 -0.133 0.000 1.008 98 I CA -0.071 61.052 61.300 -0.295 0.000 1.104 98 I CB 1.851 39.561 38.000 -0.483 0.000 1.264 98 I HN 0.677 nan 8.210 nan 0.000 0.438 99 G N 3.526 112.348 108.800 0.036 0.000 2.511 99 G HA2 0.873 4.832 3.960 -0.000 0.000 0.318 99 G HA3 0.873 4.832 3.960 -0.000 0.000 0.318 99 G C -1.454 173.473 174.900 0.045 0.000 1.210 99 G CA -0.410 44.733 45.100 0.071 0.000 0.969 99 G HN 0.808 nan 8.290 nan 0.000 0.484 100 H N -2.756 116.153 119.070 -0.268 0.000 2.951 100 H HA 0.631 5.187 4.556 -0.000 0.000 0.292 100 H C -1.286 173.843 175.328 -0.331 0.000 1.412 100 H CA -0.548 55.423 56.048 -0.128 0.000 1.206 100 H CB 1.084 30.822 29.762 -0.040 0.000 1.862 100 H HN 0.646 nan 8.280 nan 0.000 0.502 101 S N 1.915 117.724 115.700 0.182 0.000 2.653 101 S HA 0.384 4.854 4.470 -0.000 0.000 0.272 101 S C -1.719 173.045 174.600 0.272 0.000 1.221 101 S CA -0.608 57.694 58.200 0.171 0.000 1.149 101 S CB -0.210 63.119 63.200 0.216 0.000 1.029 101 S HN 0.581 nan 8.310 nan 0.000 0.481 102 Y N 4.926 125.332 120.300 0.176 0.000 2.361 102 Y HA 0.495 5.045 4.550 -0.000 0.000 0.332 102 Y C 0.909 176.877 175.900 0.113 0.000 1.101 102 Y CA -0.461 57.640 58.100 0.002 0.000 1.137 102 Y CB 0.789 39.133 38.460 -0.193 0.000 1.207 102 Y HN 0.868 nan 8.280 nan 0.000 0.463 103 K N 1.836 121.771 120.400 -0.776 0.000 1.721 103 K HA -0.366 3.954 4.320 -0.000 0.000 0.121 103 K C 0.683 177.210 176.600 -0.121 0.000 1.152 103 K CA 2.132 58.152 56.287 -0.444 0.000 0.360 103 K CB -0.751 31.539 32.500 -0.349 0.000 0.626 103 K HN 0.863 nan 8.250 nan 0.000 0.878 104 E N 0.780 120.961 120.200 -0.031 0.000 2.447 104 E HA 0.106 4.456 4.350 -0.000 0.000 0.204 104 E C -0.093 176.557 176.600 0.083 0.000 0.977 104 E CA 0.001 56.418 56.400 0.029 0.000 0.950 104 E CB 0.600 30.307 29.700 0.012 0.000 0.975 104 E HN 0.166 nan 8.360 nan 0.000 0.496 105 V N 2.103 122.083 119.914 0.110 0.000 2.740 105 V HA 0.012 4.132 4.120 -0.000 0.000 0.303 105 V C -0.070 176.081 176.094 0.094 0.000 1.054 105 V CA 0.234 62.570 62.300 0.061 0.000 1.106 105 V CB 0.136 31.962 31.823 0.006 0.000 0.957 105 V HN 0.041 nan 8.190 nan 0.000 0.486 106 F N 4.530 124.385 119.950 -0.158 0.000 2.397 106 F HA 0.630 5.157 4.527 -0.000 0.000 0.331 106 F C -0.561 175.039 175.800 -0.333 0.000 1.090 106 F CA -0.520 57.433 58.000 -0.077 0.000 1.065 106 F CB 1.195 40.143 39.000 -0.088 0.000 1.184 106 F HN 0.390 nan 8.300 nan 0.000 0.499 107 Y N 5.436 125.600 120.300 -0.227 0.000 2.391 107 Y HA 0.492 5.041 4.550 -0.000 0.000 0.341 107 Y C -0.943 174.873 175.900 -0.139 0.000 0.965 107 Y CA -1.055 56.932 58.100 -0.189 0.000 1.067 107 Y CB 1.733 39.974 38.460 -0.364 0.000 1.199 107 Y HN 0.307 nan 8.280 nan 0.000 0.450 108 L N 4.043 125.333 121.223 0.112 0.000 2.342 108 L HA 0.475 4.815 4.340 -0.000 0.000 0.276 108 L C -1.099 175.701 176.870 -0.116 0.000 0.997 108 L CA -0.384 54.467 54.840 0.019 0.000 0.838 108 L CB 1.491 43.589 42.059 0.063 0.000 1.224 108 L HN 0.817 nan 8.230 nan 0.000 0.416 109 E N 4.485 124.542 120.200 -0.238 0.000 2.145 109 E HA 0.351 4.700 4.350 -0.000 0.000 0.270 109 E C -1.396 175.039 176.600 -0.274 0.000 0.906 109 E CA -0.388 55.922 56.400 -0.150 0.000 0.761 109 E CB 1.688 31.352 29.700 -0.060 0.000 1.116 109 E HN 0.297 nan 8.360 nan 0.000 0.408 110 F N 2.348 122.346 119.950 0.080 0.000 2.293 110 F HA 0.252 4.779 4.527 -0.000 0.000 0.370 110 F C 0.637 176.590 175.800 0.254 0.000 1.090 110 F CA -0.536 57.586 58.000 0.203 0.000 1.133 110 F CB 0.853 39.949 39.000 0.159 0.000 1.360 110 F HN 0.387 nan 8.300 nan 0.000 0.489 111 E N 3.611 123.974 120.200 0.271 0.000 2.232 111 E HA 0.633 4.983 4.350 -0.000 0.000 0.265 111 E C -0.538 176.042 176.600 -0.033 0.000 1.001 111 E CA -0.763 55.708 56.400 0.119 0.000 0.870 111 E CB 1.403 31.162 29.700 0.097 0.000 1.175 111 E HN 0.506 nan 8.360 nan 0.000 0.407 112 I N -0.025 120.443 120.570 -0.170 0.000 2.607 112 I HA 0.557 4.727 4.170 -0.000 0.000 0.305 112 I C -0.194 175.822 176.117 -0.170 0.000 0.995 112 I CA -1.016 60.037 61.300 -0.412 0.000 1.148 112 I CB 1.604 39.190 38.000 -0.689 0.000 1.323 112 I HN 0.371 nan 8.210 nan 0.000 0.461 113 R N 2.251 122.665 120.500 -0.143 0.000 2.439 113 R HA 0.466 4.806 4.340 -0.000 0.000 0.310 113 R C -0.361 175.943 176.300 0.007 0.000 0.955 113 R CA -0.251 55.832 56.100 -0.029 0.000 0.853 113 R CB 2.056 32.366 30.300 0.017 0.000 1.171 113 R HN 0.868 nan 8.270 nan 0.000 0.449 114 T N 1.459 116.018 114.554 0.009 0.000 3.045 114 T HA 0.209 4.558 4.350 -0.000 0.000 0.239 114 T C 0.695 175.408 174.700 0.021 0.000 1.008 114 T CA 0.558 62.681 62.100 0.038 0.000 1.143 114 T CB 0.228 69.109 68.868 0.021 0.000 0.894 114 T HN 0.663 nan 8.240 nan 0.000 0.451 115 A N 1.730 124.552 122.820 0.002 0.000 2.249 115 A HA 0.459 4.779 4.320 -0.000 0.000 0.281 115 A C -0.502 177.083 177.584 0.001 0.000 1.127 115 A CA -0.562 51.473 52.037 -0.004 0.000 0.833 115 A CB -0.068 18.921 19.000 -0.018 0.000 1.140 115 A HN 0.248 nan 8.150 nan 0.000 0.502 116 D N 1.087 121.485 120.400 -0.004 0.000 2.424 116 D HA 0.332 4.971 4.640 -0.000 0.000 0.244 116 D C 0.615 176.907 176.300 -0.013 0.000 1.134 116 D CA 0.582 54.579 54.000 -0.005 0.000 0.881 116 D CB 0.360 41.157 40.800 -0.006 0.000 1.191 116 D HN 0.439 nan 8.370 nan 0.000 0.445 117 T N 1.286 115.832 114.554 -0.013 0.000 2.663 117 T HA -0.000 4.350 4.350 -0.000 0.000 0.325 117 T C 0.585 175.248 174.700 -0.062 0.000 1.059 117 T CA -0.630 61.454 62.100 -0.028 0.000 1.039 117 T CB 0.195 69.054 68.868 -0.016 0.000 0.996 117 T HN 0.279 nan 8.240 nan 0.000 0.539 118 L N 2.425 123.582 121.223 -0.110 0.000 2.745 118 L HA 0.095 4.435 4.340 -0.000 0.000 0.273 118 L C 0.644 177.442 176.870 -0.119 0.000 1.156 118 L CA 0.330 55.063 54.840 -0.179 0.000 0.982 118 L CB -0.755 41.126 42.059 -0.296 0.000 1.295 118 L HN 0.572 nan 8.230 nan 0.000 0.483 119 S N 5.685 121.340 115.700 -0.076 0.000 2.507 119 S HA 0.027 4.497 4.470 -0.000 0.000 0.299 119 S C 1.446 176.032 174.600 -0.024 0.000 1.214 119 S CA -0.002 58.178 58.200 -0.033 0.000 1.137 119 S CB -0.390 62.807 63.200 -0.005 0.000 1.009 119 S HN 0.801 nan 8.310 nan 0.000 0.512 120 I N 5.088 125.638 120.570 -0.033 0.000 2.394 120 I HA -0.144 4.026 4.170 -0.000 0.000 0.251 120 I C 2.119 178.258 176.117 0.036 0.000 1.136 120 I CA 1.983 63.269 61.300 -0.024 0.000 1.425 120 I CB -0.512 37.467 38.000 -0.035 0.000 1.079 120 I HN 0.863 nan 8.210 nan 0.000 0.425 121 T N -1.269 113.302 114.554 0.029 0.000 2.698 121 T HA -0.118 4.232 4.350 -0.000 0.000 0.260 121 T C 1.908 176.635 174.700 0.045 0.000 1.044 121 T CA 1.269 63.389 62.100 0.033 0.000 1.149 121 T CB -0.984 67.894 68.868 0.017 0.000 0.864 121 T HN 0.494 nan 8.240 nan 0.000 0.419 122 S N 0.181 115.906 115.700 0.042 0.000 2.607 122 S HA 0.156 4.626 4.470 -0.000 0.000 0.224 122 S C 1.433 176.059 174.600 0.045 0.000 0.969 122 S CA -0.207 58.011 58.200 0.030 0.000 0.927 122 S CB -0.941 62.270 63.200 0.019 0.000 0.772 122 S HN 0.538 nan 8.310 nan 0.000 0.533 123 F N 2.399 122.302 119.950 -0.079 0.000 2.446 123 F HA 0.131 4.658 4.527 -0.000 0.000 0.292 123 F C 2.121 177.881 175.800 -0.066 0.000 1.096 123 F CA 0.978 58.909 58.000 -0.115 0.000 1.438 123 F CB -0.333 38.547 39.000 -0.199 0.000 1.107 123 F HN 0.155 nan 8.300 nan 0.000 0.546 124 T N 1.396 115.994 114.554 0.074 0.000 2.777 124 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 124 T C 2.131 176.792 174.700 -0.065 0.000 1.040 124 T CA 1.445 63.551 62.100 0.010 0.000 1.141 124 T CB -0.487 68.417 68.868 0.060 0.000 0.868 124 T HN 0.234 nan 8.240 nan 0.000 0.444 125 L N 1.062 122.256 121.223 -0.047 0.000 2.191 125 L HA -0.055 4.284 4.340 -0.000 0.000 0.212 125 L C 2.441 179.260 176.870 -0.084 0.000 1.103 125 L CA 1.081 55.891 54.840 -0.051 0.000 0.769 125 L CB -0.362 41.680 42.059 -0.029 0.000 0.908 125 L HN 0.373 nan 8.230 nan 0.000 0.438 126 N N -0.871 117.742 118.700 -0.145 0.000 2.392 126 N HA -0.002 4.738 4.740 -0.000 0.000 0.177 126 N C 1.555 176.953 175.510 -0.188 0.000 1.066 126 N CA 0.541 53.494 53.050 -0.162 0.000 0.895 126 N CB 0.329 38.703 38.487 -0.189 0.000 0.988 126 N HN 0.232 nan 8.380 nan 0.000 0.457 127 A N 0.273 122.936 122.820 -0.262 0.000 2.238 127 A HA 0.031 4.351 4.320 -0.000 0.000 0.208 127 A C 1.819 179.341 177.584 -0.103 0.000 1.177 127 A CA 0.302 52.242 52.037 -0.161 0.000 0.804 127 A CB 0.091 18.992 19.000 -0.166 0.000 0.823 127 A HN 0.328 nan 8.150 nan 0.000 0.482 128 Q N -0.712 119.033 119.800 -0.093 0.000 2.063 128 Q HA -0.007 4.333 4.340 -0.000 0.000 0.194 128 Q C 2.209 178.164 176.000 -0.075 0.000 0.974 128 Q CA 0.835 56.596 55.803 -0.071 0.000 0.827 128 Q CB -0.216 28.489 28.738 -0.054 0.000 0.902 128 Q HN 0.606 nan 8.270 nan 0.000 0.462 129 R N 0.971 121.430 120.500 -0.068 0.000 2.165 129 R HA -0.204 4.136 4.340 -0.000 0.000 0.254 129 R C 2.035 178.290 176.300 -0.074 0.000 1.153 129 R CA 1.648 57.712 56.100 -0.061 0.000 0.971 129 R CB -0.281 29.990 30.300 -0.047 0.000 0.878 129 R HN 0.278 nan 8.270 nan 0.000 0.449 130 I N -0.202 120.307 120.570 -0.102 0.000 2.617 130 I HA -0.175 3.995 4.170 -0.000 0.000 0.256 130 I C 1.832 177.856 176.117 -0.155 0.000 1.167 130 I CA 0.791 62.003 61.300 -0.146 0.000 1.469 130 I CB -0.014 37.831 38.000 -0.258 0.000 1.098 130 I HN 0.222 nan 8.210 nan 0.000 0.436 131 I N 0.545 121.033 120.570 -0.136 0.000 3.030 131 I HA -0.062 4.108 4.170 -0.000 0.000 0.270 131 I C 2.630 178.696 176.117 -0.084 0.000 1.211 131 I CA 0.509 61.741 61.300 -0.114 0.000 1.479 131 I CB -0.188 37.754 38.000 -0.097 0.000 1.105 131 I HN 0.112 nan 8.210 nan 0.000 0.447 132 A N 0.406 123.179 122.820 -0.079 0.000 1.898 132 A HA -0.161 4.159 4.320 -0.000 0.000 0.214 132 A C 2.217 179.750 177.584 -0.085 0.000 1.183 132 A CA 1.005 52.997 52.037 -0.075 0.000 0.622 132 A CB -0.388 18.572 19.000 -0.067 0.000 0.824 132 A HN 0.354 nan 8.150 nan 0.000 0.444 133 Q N -0.909 118.849 119.800 -0.071 0.000 2.170 133 Q HA -0.088 4.252 4.340 -0.000 0.000 0.203 133 Q C 1.836 177.827 176.000 -0.014 0.000 0.976 133 Q CA 1.511 57.283 55.803 -0.052 0.000 0.858 133 Q CB -0.162 28.576 28.738 -0.001 0.000 0.907 133 Q HN 0.495 nan 8.270 nan 0.000 0.433 134 V N -0.468 119.437 119.914 -0.015 0.000 3.608 134 V HA -0.079 4.041 4.120 -0.000 0.000 0.269 134 V C 1.672 177.757 176.094 -0.015 0.000 1.245 134 V CA 0.747 63.059 62.300 0.021 0.000 1.138 134 V CB 0.312 32.127 31.823 -0.013 0.000 0.841 134 V HN 0.238 nan 8.190 nan 0.000 0.451 135 Q N 0.285 120.051 119.800 -0.055 0.000 2.230 135 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 135 Q C 1.660 177.616 176.000 -0.073 0.000 0.963 135 Q CA 2.204 57.970 55.803 -0.061 0.000 0.866 135 Q CB 0.017 28.715 28.738 -0.067 0.000 0.931 135 Q HN 0.772 nan 8.270 nan 0.000 0.452 136 L N -2.528 118.618 121.223 -0.128 0.000 2.388 136 L HA 0.277 4.617 4.340 -0.000 0.000 0.209 136 L C 0.285 177.082 176.870 -0.121 0.000 1.061 136 L CA 0.573 55.309 54.840 -0.172 0.000 0.834 136 L CB -0.698 41.202 42.059 -0.264 0.000 1.029 136 L HN 0.139 nan 8.230 nan 0.000 0.473 137 H N -1.075 117.982 119.070 -0.023 0.000 2.547 137 H HA 0.475 5.031 4.556 -0.000 0.000 0.342 137 H C -0.955 174.361 175.328 -0.021 0.000 1.048 137 H CA -0.672 55.364 56.048 -0.019 0.000 1.204 137 H CB 0.795 30.548 29.762 -0.016 0.000 1.493 137 H HN 0.124 nan 8.280 nan 0.000 0.511 138 N N 2.883 121.655 118.700 0.120 0.000 2.378 138 N HA -0.012 4.728 4.740 -0.000 0.000 0.243 138 N C -0.794 174.728 175.510 0.021 0.000 1.137 138 N CA -0.281 52.799 53.050 0.052 0.000 0.862 138 N CB 0.427 38.929 38.487 0.025 0.000 1.116 138 N HN 0.556 nan 8.380 nan 0.000 0.499 139 D N 1.251 121.652 120.400 0.002 0.000 2.417 139 D HA -0.047 4.593 4.640 -0.000 0.000 0.250 139 D C 1.622 177.919 176.300 -0.004 0.000 1.166 139 D CA 0.507 54.495 54.000 -0.021 0.000 0.881 139 D CB 1.633 42.388 40.800 -0.074 0.000 1.164 139 D HN 0.294 nan 8.370 nan 0.000 0.467 140 T N 0.149 114.711 114.554 0.013 0.000 2.962 140 T HA -0.085 4.265 4.350 -0.000 0.000 0.270 140 T C 1.649 176.381 174.700 0.052 0.000 1.088 140 T CA 0.897 63.014 62.100 0.027 0.000 1.127 140 T CB 0.159 69.059 68.868 0.055 0.000 0.883 140 T HN 0.347 nan 8.240 nan 0.000 0.493 141 A N 0.678 123.517 122.820 0.031 0.000 2.119 141 A HA 0.225 4.545 4.320 -0.000 0.000 0.216 141 A C 2.544 180.118 177.584 -0.015 0.000 1.152 141 A CA 1.208 53.251 52.037 0.010 0.000 0.708 141 A CB -0.550 18.441 19.000 -0.015 0.000 0.805 141 A HN 0.542 nan 8.150 nan 0.000 0.460 142 S N -0.813 114.864 115.700 -0.038 0.000 2.478 142 S HA 0.042 4.512 4.470 -0.000 0.000 0.222 142 S C 1.682 176.277 174.600 -0.008 0.000 1.008 142 S CA 0.706 58.864 58.200 -0.071 0.000 0.928 142 S CB -0.133 62.948 63.200 -0.199 0.000 0.781 142 S HN 0.514 nan 8.310 nan 0.000 0.518 143 L N 2.128 123.362 121.223 0.018 0.000 1.993 143 L HA 0.107 4.447 4.340 -0.000 0.000 0.206 143 L C 1.871 178.790 176.870 0.083 0.000 1.074 143 L CA 1.648 56.508 54.840 0.034 0.000 0.746 143 L CB -0.709 41.362 42.059 0.020 0.000 0.896 143 L HN 0.224 nan 8.230 nan 0.000 0.435 144 L N -0.755 120.538 121.223 0.116 0.000 2.137 144 L HA -0.273 4.067 4.340 -0.000 0.000 0.213 144 L C 2.691 179.643 176.870 0.137 0.000 1.085 144 L CA 1.593 56.538 54.840 0.175 0.000 0.760 144 L CB -0.854 41.236 42.059 0.052 0.000 0.893 144 L HN 0.412 nan 8.230 nan 0.000 0.434 145 S N -0.512 115.223 115.700 0.059 0.000 2.395 145 S HA -0.089 4.381 4.470 -0.000 0.000 0.225 145 S C 1.617 176.238 174.600 0.036 0.000 1.027 145 S CA 1.142 59.361 58.200 0.032 0.000 0.965 145 S CB -0.156 63.041 63.200 -0.005 0.000 0.812 145 S HN 0.503 nan 8.310 nan 0.000 0.482 146 N N 0.731 119.450 118.700 0.032 0.000 2.051 146 N HA -0.106 4.634 4.740 -0.000 0.000 0.192 146 N C 1.909 177.420 175.510 0.001 0.000 1.049 146 N CA 1.551 54.612 53.050 0.019 0.000 0.845 146 N CB -0.382 38.116 38.487 0.018 0.000 1.031 146 N HN 0.367 nan 8.380 nan 0.000 0.425 147 V N 0.530 120.431 119.914 -0.022 0.000 2.490 147 V HA -0.191 3.929 4.120 -0.000 0.000 0.250 147 V C 1.961 178.016 176.094 -0.065 0.000 1.061 147 V CA 1.930 64.163 62.300 -0.113 0.000 1.064 147 V CB -0.945 30.698 31.823 -0.299 0.000 0.670 147 V HN 0.249 nan 8.190 nan 0.000 0.461 148 T N 0.817 115.404 114.554 0.055 0.000 2.684 148 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 148 T C 1.502 176.224 174.700 0.036 0.000 1.036 148 T CA 2.458 64.610 62.100 0.088 0.000 1.148 148 T CB -0.579 68.367 68.868 0.129 0.000 0.863 148 T HN 0.692 nan 8.240 nan 0.000 0.436 149 D N 0.131 120.550 120.400 0.032 0.000 2.218 149 D HA -0.060 4.580 4.640 -0.000 0.000 0.204 149 D C 2.122 178.443 176.300 0.034 0.000 0.976 149 D CA 0.787 54.804 54.000 0.028 0.000 0.853 149 D CB -0.064 40.750 40.800 0.023 0.000 0.939 149 D HN 0.353 nan 8.370 nan 0.000 0.481 150 E N -0.145 120.074 120.200 0.033 0.000 2.250 150 E HA 0.062 4.412 4.350 -0.000 0.000 0.192 150 E C 1.743 178.406 176.600 0.106 0.000 0.986 150 E CA 0.239 56.674 56.400 0.059 0.000 0.849 150 E CB -0.062 29.665 29.700 0.046 0.000 0.797 150 E HN 0.231 nan 8.360 nan 0.000 0.482 151 L N 0.039 121.307 121.223 0.075 0.000 2.191 151 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 151 L C 2.449 179.366 176.870 0.079 0.000 1.103 151 L CA 1.121 56.000 54.840 0.065 0.000 0.769 151 L CB -0.178 41.843 42.059 -0.062 0.000 0.908 151 L HN 0.089 nan 8.230 nan 0.000 0.438 152 R N 0.084 120.628 120.500 0.074 0.000 2.200 152 R HA -0.033 4.306 4.340 -0.000 0.000 0.208 152 R C 2.245 178.598 176.300 0.089 0.000 1.033 152 R CA 0.852 57.005 56.100 0.089 0.000 1.000 152 R CB 0.038 30.376 30.300 0.063 0.000 0.906 152 R HN 0.163 nan 8.270 nan 0.000 0.462 153 R N -0.823 119.728 120.500 0.085 0.000 2.161 153 R HA 0.131 4.470 4.340 -0.000 0.000 0.213 153 R C 1.923 178.281 176.300 0.096 0.000 1.055 153 R CA 1.298 57.443 56.100 0.076 0.000 0.996 153 R CB 0.053 30.388 30.300 0.059 0.000 0.901 153 R HN 0.266 nan 8.270 nan 0.000 0.456 154 M N -0.666 119.021 119.600 0.146 0.000 2.191 154 M HA -0.049 4.431 4.480 -0.000 0.000 0.262 154 M C 2.503 178.928 176.300 0.208 0.000 1.083 154 M CA 1.850 57.267 55.300 0.195 0.000 1.154 154 M CB -0.458 32.333 32.600 0.318 0.000 1.344 154 M HN 0.139 nan 8.290 nan 0.000 0.431 155 T N -1.685 113.005 114.554 0.226 0.000 2.706 155 T HA 0.159 4.509 4.350 -0.000 0.000 0.255 155 T C 1.612 176.326 174.700 0.024 0.000 1.048 155 T CA 1.541 63.733 62.100 0.154 0.000 1.153 155 T CB -0.388 68.595 68.868 0.192 0.000 0.865 155 T HN 0.622 nan 8.240 nan 0.000 0.414 156 G N -0.347 108.489 108.800 0.060 0.000 2.175 156 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.182 156 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.182 156 G C -0.037 174.920 174.900 0.095 0.000 1.003 156 G CA -0.157 44.967 45.100 0.039 0.000 0.666 156 G HN 0.651 nan 8.290 nan 0.000 0.506 157 Y N 1.161 121.551 120.300 0.150 0.000 2.607 157 Y HA 0.190 4.740 4.550 -0.000 0.000 0.348 157 Y C 1.786 177.764 175.900 0.130 0.000 1.261 157 Y CA 0.806 59.083 58.100 0.295 0.000 1.480 157 Y CB 0.533 39.103 38.460 0.183 0.000 1.358 157 Y HN 0.074 nan 8.280 nan 0.000 0.630 158 D N 0.433 120.933 120.400 0.167 0.000 2.269 158 D HA -0.045 4.595 4.640 -0.000 0.000 0.208 158 D C 0.643 176.965 176.300 0.036 0.000 0.963 158 D CA 1.145 55.109 54.000 -0.059 0.000 0.864 158 D CB 0.253 40.875 40.800 -0.295 0.000 0.936 158 D HN 0.435 nan 8.370 nan 0.000 0.505 159 R N -0.445 120.118 120.500 0.105 0.000 2.734 159 R HA 0.487 4.827 4.340 -0.000 0.000 0.271 159 R C -2.211 174.090 176.300 0.001 0.000 1.021 159 R CA -0.761 55.367 56.100 0.046 0.000 0.893 159 R CB 2.256 32.581 30.300 0.041 0.000 1.244 159 R HN -0.146 nan 8.270 nan 0.000 0.464 160 V N 3.920 123.800 119.914 -0.056 0.000 2.775 160 V HA 0.466 4.586 4.120 -0.000 0.000 0.295 160 V C -1.661 174.355 176.094 -0.129 0.000 1.226 160 V CA -0.548 61.676 62.300 -0.126 0.000 0.934 160 V CB 1.934 33.711 31.823 -0.076 0.000 1.056 160 V HN 0.865 nan 8.190 nan 0.000 0.436 161 M N 5.446 124.897 119.600 -0.248 0.000 2.690 161 M HA 0.943 5.423 4.480 -0.000 0.000 0.302 161 M C -0.310 175.719 176.300 -0.451 0.000 1.234 161 M CA -0.733 54.398 55.300 -0.281 0.000 0.853 161 M CB 2.315 34.744 32.600 -0.285 0.000 1.748 161 M HN 0.803 nan 8.290 nan 0.000 0.469 162 A N 1.319 123.889 122.820 -0.416 0.000 2.318 162 A HA 0.744 5.064 4.320 -0.000 0.000 0.317 162 A C -1.723 175.544 177.584 -0.529 0.000 1.159 162 A CA -0.512 51.184 52.037 -0.569 0.000 0.799 162 A CB 0.429 19.168 19.000 -0.436 0.000 1.194 162 A HN 0.799 nan 8.150 nan 0.000 0.479 163 Y N 1.523 121.563 120.300 -0.432 0.000 2.323 163 Y HA 0.506 5.056 4.550 -0.000 0.000 0.331 163 Y C 0.927 176.358 175.900 -0.781 0.000 1.092 163 Y CA -0.589 57.151 58.100 -0.600 0.000 1.150 163 Y CB 1.345 39.391 38.460 -0.691 0.000 1.200 163 Y HN 0.580 nan 8.280 nan 0.000 0.472 164 R N 3.199 123.313 120.500 -0.643 0.000 2.338 164 R HA 0.393 4.732 4.340 -0.000 0.000 0.317 164 R C -1.671 174.125 176.300 -0.840 0.000 0.968 164 R CA -0.764 54.867 56.100 -0.782 0.000 0.849 164 R CB 1.124 31.041 30.300 -0.638 0.000 1.128 164 R HN 0.564 nan 8.270 nan 0.000 0.448 165 F N 2.912 122.581 119.950 -0.469 0.000 2.410 165 F HA 0.412 4.939 4.527 -0.000 0.000 0.349 165 F C 1.236 176.841 175.800 -0.325 0.000 1.117 165 F CA -0.762 57.037 58.000 -0.335 0.000 1.104 165 F CB 0.888 39.755 39.000 -0.221 0.000 1.122 165 F HN 0.175 nan 8.300 nan 0.000 0.483 166 R N 0.365 120.834 120.500 -0.052 0.000 2.668 166 R HA 0.054 4.394 4.340 -0.000 0.000 0.268 166 R C 1.167 177.500 176.300 0.054 0.000 1.232 166 R CA -0.512 55.569 56.100 -0.032 0.000 1.166 166 R CB -0.001 30.291 30.300 -0.013 0.000 1.179 166 R HN 0.691 nan 8.270 nan 0.000 0.606 167 H N 0.951 120.005 119.070 -0.027 0.000 2.518 167 H HA -0.093 4.463 4.556 -0.000 0.000 0.289 167 H C 0.662 175.990 175.328 -0.001 0.000 1.051 167 H CA 1.928 57.971 56.048 -0.008 0.000 1.280 167 H CB -0.006 29.754 29.762 -0.003 0.000 1.380 167 H HN 0.530 nan 8.280 nan 0.000 0.566 168 D N -1.770 118.585 120.400 -0.076 0.000 2.369 168 D HA 0.021 4.661 4.640 -0.000 0.000 0.211 168 D C 0.101 176.363 176.300 -0.065 0.000 1.077 168 D CA 0.440 54.363 54.000 -0.128 0.000 0.842 168 D CB 0.071 40.829 40.800 -0.070 0.000 0.947 168 D HN 0.218 nan 8.370 nan 0.000 0.509 169 D N -0.376 120.008 120.400 -0.027 0.000 2.911 169 D HA -0.168 4.472 4.640 -0.000 0.000 0.199 169 D C -0.207 176.147 176.300 0.090 0.000 1.041 169 D CA 1.123 55.117 54.000 -0.010 0.000 1.013 169 D CB -1.927 38.827 40.800 -0.076 0.000 1.093 169 D HN 0.492 nan 8.370 nan 0.000 0.431 170 S N -0.163 115.588 115.700 0.085 0.000 2.562 170 S HA 0.524 4.994 4.470 -0.000 0.000 0.281 170 S C 0.788 175.368 174.600 -0.033 0.000 1.333 170 S CA 0.353 58.592 58.200 0.064 0.000 1.052 170 S CB 2.009 65.287 63.200 0.130 0.000 0.884 170 S HN 0.377 nan 8.310 nan 0.000 0.506 171 G N 0.624 109.207 108.800 -0.361 0.000 2.552 171 G HA2 0.596 4.556 3.960 -0.000 0.000 0.324 171 G HA3 0.596 4.556 3.960 -0.000 0.000 0.324 171 G C -1.163 173.156 174.900 -0.969 0.000 1.217 171 G CA -0.811 43.827 45.100 -0.770 0.000 0.989 171 G HN 0.884 nan 8.290 nan 0.000 0.490 172 E N -0.638 119.086 120.200 -0.794 0.000 2.321 172 E HA 0.395 4.745 4.350 -0.000 0.000 0.278 172 E C -1.331 175.087 176.600 -0.303 0.000 0.902 172 E CA -0.665 55.416 56.400 -0.531 0.000 0.758 172 E CB 2.513 31.978 29.700 -0.392 0.000 1.213 172 E HN 0.255 nan 8.360 nan 0.000 0.426 173 V N 4.506 124.346 119.914 -0.123 0.000 2.427 173 V HA 0.105 4.225 4.120 -0.000 0.000 0.268 173 V C 1.014 177.071 176.094 -0.061 0.000 1.046 173 V CA -0.001 62.311 62.300 0.020 0.000 0.970 173 V CB 0.733 32.637 31.823 0.134 0.000 1.001 173 V HN 0.615 nan 8.190 nan 0.000 0.476 174 V N 1.595 121.448 119.914 -0.102 0.000 3.346 174 V HA 0.863 4.983 4.120 -0.000 0.000 0.309 174 V C 0.339 176.390 176.094 -0.070 0.000 1.457 174 V CA 0.536 62.776 62.300 -0.100 0.000 1.069 174 V CB 0.237 31.979 31.823 -0.136 0.000 0.944 174 V HN 0.994 nan 8.190 nan 0.000 0.449 175 A N 0.098 122.878 122.820 -0.066 0.000 2.605 175 A HA 0.831 5.151 4.320 -0.000 0.000 0.294 175 A C -1.074 176.489 177.584 -0.035 0.000 1.062 175 A CA -0.239 51.775 52.037 -0.038 0.000 0.682 175 A CB 1.886 20.869 19.000 -0.028 0.000 1.278 175 A HN 0.439 nan 8.150 nan 0.000 0.410 176 E N 0.320 120.515 120.200 -0.008 0.000 2.381 176 E HA 0.527 4.877 4.350 -0.000 0.000 0.286 176 E C -1.562 175.039 176.600 0.000 0.000 0.960 176 E CA -0.121 56.274 56.400 -0.008 0.000 0.793 176 E CB 1.785 31.493 29.700 0.014 0.000 1.225 176 E HN 1.143 nan 8.360 nan 0.000 0.420 177 S N 4.155 119.852 115.700 -0.005 0.000 2.745 177 S HA 0.537 5.007 4.470 -0.000 0.000 0.283 177 S C -0.252 174.346 174.600 -0.004 0.000 1.170 177 S CA -0.983 57.218 58.200 0.001 0.000 1.119 177 S CB 0.684 63.892 63.200 0.013 0.000 1.035 177 S HN 0.599 nan 8.310 nan 0.000 0.483 178 R N 2.157 122.647 120.500 -0.017 0.000 2.705 178 R HA 0.666 5.006 4.340 -0.000 0.000 0.246 178 R C 0.068 176.352 176.300 -0.026 0.000 1.142 178 R CA -1.205 54.879 56.100 -0.027 0.000 1.114 178 R CB 0.863 31.123 30.300 -0.066 0.000 1.256 178 R HN 0.730 nan 8.270 nan 0.000 0.536 179 R N 0.049 120.530 120.500 -0.033 0.000 2.691 179 R HA 0.220 4.559 4.340 -0.000 0.000 0.259 179 R C 0.237 176.509 176.300 -0.046 0.000 1.048 179 R CA -0.555 55.526 56.100 -0.032 0.000 1.086 179 R CB 1.011 31.293 30.300 -0.030 0.000 1.166 179 R HN 0.810 nan 8.270 nan 0.000 0.526 180 E N 0.629 120.806 120.200 -0.038 0.000 2.086 180 E HA -0.286 4.064 4.350 -0.000 0.000 0.205 180 E C 1.009 177.574 176.600 -0.058 0.000 1.027 180 E CA 2.293 58.667 56.400 -0.043 0.000 0.830 180 E CB -0.140 29.542 29.700 -0.030 0.000 0.751 180 E HN 0.642 nan 8.360 nan 0.000 0.456 181 D N 0.418 120.786 120.400 -0.053 0.000 2.106 181 D HA -0.100 4.540 4.640 -0.000 0.000 0.191 181 D C 0.414 176.664 176.300 -0.085 0.000 0.997 181 D CA 0.758 54.722 54.000 -0.059 0.000 0.834 181 D CB -0.146 40.625 40.800 -0.048 0.000 0.956 181 D HN 0.033 nan 8.370 nan 0.000 0.448 182 L N 1.638 122.805 121.223 -0.093 0.000 2.499 182 L HA 0.085 4.425 4.340 -0.000 0.000 0.273 182 L C 0.942 177.682 176.870 -0.216 0.000 1.195 182 L CA -0.396 54.366 54.840 -0.130 0.000 0.882 182 L CB 0.102 42.101 42.059 -0.101 0.000 1.133 182 L HN 0.139 nan 8.230 nan 0.000 0.483 183 E N 2.013 122.036 120.200 -0.295 0.000 2.409 183 E HA 0.199 4.548 4.350 -0.000 0.000 0.257 183 E C -0.436 175.770 176.600 -0.656 0.000 1.150 183 E CA -0.680 55.447 56.400 -0.454 0.000 0.942 183 E CB 1.131 30.557 29.700 -0.456 0.000 0.979 183 E HN 0.468 nan 8.360 nan 0.000 0.447 184 S N 1.189 116.396 115.700 -0.821 0.000 2.489 184 S HA 0.268 4.738 4.470 -0.000 0.000 0.291 184 S C -0.951 173.147 174.600 -0.837 0.000 1.151 184 S CA -0.716 57.016 58.200 -0.780 0.000 1.082 184 S CB 0.335 63.095 63.200 -0.733 0.000 1.019 184 S HN 0.535 nan 8.310 nan 0.000 0.492 185 Y N 3.620 123.798 120.300 -0.203 0.000 2.708 185 Y HA 0.371 4.921 4.550 -0.000 0.000 0.287 185 Y C 0.558 176.497 175.900 0.065 0.000 1.145 185 Y CA -0.512 57.545 58.100 -0.071 0.000 1.249 185 Y CB 0.083 38.550 38.460 0.012 0.000 1.152 185 Y HN 0.457 nan 8.280 nan 0.000 0.532 186 L N 0.917 122.287 121.223 0.245 0.000 2.455 186 L HA 0.253 4.593 4.340 -0.000 0.000 0.272 186 L C 0.965 178.037 176.870 0.338 0.000 1.174 186 L CA 0.554 55.583 54.840 0.316 0.000 0.869 186 L CB 0.325 42.629 42.059 0.409 0.000 1.130 186 L HN 0.664 nan 8.230 nan 0.000 0.474 187 G N 3.653 112.529 108.800 0.126 0.000 2.351 187 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.297 187 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.297 187 G C -0.331 174.620 174.900 0.084 0.000 1.054 187 G CA 0.620 45.726 45.100 0.010 0.000 1.123 187 G HN 0.786 nan 8.290 nan 0.000 0.512 188 Q N -0.428 119.411 119.800 0.065 0.000 2.248 188 Q HA 0.822 5.162 4.340 -0.000 0.000 0.263 188 Q C 0.011 175.919 176.000 -0.155 0.000 1.007 188 Q CA -0.957 54.859 55.803 0.022 0.000 0.877 188 Q CB 1.022 29.823 28.738 0.106 0.000 1.315 188 Q HN 0.236 nan 8.270 nan 0.000 0.454 189 R N 2.348 122.731 120.500 -0.195 0.000 2.513 189 R HA 0.360 4.700 4.340 -0.000 0.000 0.301 189 R C -1.435 174.749 176.300 -0.193 0.000 0.968 189 R CA -0.542 55.236 56.100 -0.536 0.000 0.872 189 R CB 1.045 30.511 30.300 -1.389 0.000 1.177 189 R HN 0.798 nan 8.270 nan 0.000 0.444 190 Y N 0.220 120.411 120.300 -0.181 0.000 2.485 190 Y HA 0.737 5.287 4.550 -0.000 0.000 0.345 190 Y C -2.569 173.372 175.900 0.069 0.000 0.998 190 Y CA -3.264 54.832 58.100 -0.007 0.000 1.059 190 Y CB 0.975 39.405 38.460 -0.049 0.000 1.234 190 Y HN 0.344 nan 8.280 nan 0.000 0.461 191 P HA 0.182 nan 4.420 nan 0.000 0.277 191 P C 0.207 177.641 177.300 0.225 0.000 1.276 191 P CA 0.003 63.276 63.100 0.287 0.000 0.788 191 P CB 0.786 32.613 31.700 0.212 0.000 1.114 192 A N 0.061 122.961 122.820 0.134 0.000 2.168 192 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 192 A C 1.952 179.568 177.584 0.055 0.000 1.152 192 A CA 1.722 53.803 52.037 0.074 0.000 0.716 192 A CB -1.627 17.382 19.000 0.015 0.000 0.794 192 A HN 0.569 nan 8.150 nan 0.000 0.465 193 S N -0.319 115.424 115.700 0.072 0.000 2.436 193 S HA -0.091 4.379 4.470 -0.000 0.000 0.228 193 S C 1.128 175.759 174.600 0.051 0.000 1.014 193 S CA 1.100 59.331 58.200 0.051 0.000 0.950 193 S CB -0.344 62.889 63.200 0.055 0.000 0.784 193 S HN 0.402 nan 8.310 nan 0.000 0.504 194 D N 1.337 121.781 120.400 0.073 0.000 2.310 194 D HA 0.178 4.818 4.640 -0.000 0.000 0.212 194 D C 0.190 176.448 176.300 -0.071 0.000 0.965 194 D CA 0.751 54.756 54.000 0.009 0.000 0.879 194 D CB -0.017 40.760 40.800 -0.039 0.000 0.921 194 D HN 0.484 nan 8.370 nan 0.000 0.510 195 I N 0.987 121.538 120.570 -0.032 0.000 2.641 195 I HA 0.223 4.393 4.170 -0.000 0.000 0.275 195 I C -2.467 173.625 176.117 -0.042 0.000 1.129 195 I CA -1.886 59.385 61.300 -0.050 0.000 1.094 195 I CB 1.801 39.766 38.000 -0.057 0.000 1.232 195 I HN -0.342 nan 8.210 nan 0.000 0.503 196 P HA 0.019 nan 4.420 nan 0.000 0.270 196 P C 0.957 178.227 177.300 -0.051 0.000 1.221 196 P CA 0.122 63.203 63.100 -0.033 0.000 0.788 196 P CB 0.957 32.644 31.700 -0.023 0.000 0.904 197 A N 1.292 124.083 122.820 -0.048 0.000 1.986 197 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 197 A C 1.942 179.480 177.584 -0.077 0.000 1.171 197 A CA 1.558 53.559 52.037 -0.059 0.000 0.640 197 A CB -0.951 18.020 19.000 -0.049 0.000 0.811 197 A HN 0.511 nan 8.150 nan 0.000 0.451 198 Q N -1.283 118.468 119.800 -0.080 0.000 2.389 198 Q HA 0.126 4.466 4.340 -0.000 0.000 0.204 198 Q C 2.177 178.097 176.000 -0.134 0.000 0.944 198 Q CA 1.067 56.802 55.803 -0.113 0.000 0.908 198 Q CB -0.134 28.550 28.738 -0.090 0.000 1.002 198 Q HN 0.686 nan 8.270 nan 0.000 0.493 199 A N 0.205 122.947 122.820 -0.131 0.000 1.943 199 A HA -0.036 4.284 4.320 -0.000 0.000 0.213 199 A C 2.079 179.530 177.584 -0.221 0.000 1.181 199 A CA 0.559 52.463 52.037 -0.221 0.000 0.653 199 A CB -0.232 18.665 19.000 -0.171 0.000 0.833 199 A HN 0.159 nan 8.150 nan 0.000 0.451 200 R N -0.790 119.673 120.500 -0.062 0.000 2.120 200 R HA -0.109 4.230 4.340 -0.000 0.000 0.234 200 R C 2.380 178.673 176.300 -0.012 0.000 1.123 200 R CA 1.156 57.268 56.100 0.021 0.000 0.975 200 R CB -0.130 30.124 30.300 -0.077 0.000 0.866 200 R HN 0.260 nan 8.270 nan 0.000 0.446 201 R N 0.897 121.347 120.500 -0.083 0.000 2.062 201 R HA -0.037 4.303 4.340 -0.000 0.000 0.229 201 R C 1.870 178.099 176.300 -0.118 0.000 1.128 201 R CA 1.340 57.391 56.100 -0.082 0.000 0.960 201 R CB -0.597 29.647 30.300 -0.094 0.000 0.855 201 R HN 0.274 nan 8.270 nan 0.000 0.432 202 L N -0.202 120.892 121.223 -0.215 0.000 2.675 202 L HA -0.039 4.301 4.340 -0.000 0.000 0.238 202 L C 1.320 177.991 176.870 -0.332 0.000 1.155 202 L CA 0.538 55.203 54.840 -0.291 0.000 0.881 202 L CB -0.411 41.450 42.059 -0.330 0.000 1.008 202 L HN 0.155 nan 8.230 nan 0.000 0.443 203 Y N -0.907 119.332 120.300 -0.102 0.000 2.500 203 Y HA 0.118 4.668 4.550 -0.000 0.000 0.284 203 Y C 2.318 178.184 175.900 -0.057 0.000 1.118 203 Y CA -0.060 57.998 58.100 -0.070 0.000 1.241 203 Y CB 0.367 38.795 38.460 -0.053 0.000 1.171 203 Y HN 0.022 nan 8.280 nan 0.000 0.540 204 I N 0.003 120.627 120.570 0.091 0.000 2.315 204 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 204 I C 2.059 178.163 176.117 -0.021 0.000 1.117 204 I CA 1.481 62.807 61.300 0.043 0.000 1.404 204 I CB -0.248 37.768 38.000 0.027 0.000 1.071 204 I HN 0.297 nan 8.210 nan 0.000 0.419 205 Q N 0.278 120.021 119.800 -0.095 0.000 2.096 205 Q HA -0.018 4.322 4.340 -0.000 0.000 0.197 205 Q C 0.061 175.854 176.000 -0.346 0.000 0.964 205 Q CA 0.736 56.403 55.803 -0.225 0.000 0.838 205 Q CB 0.240 28.798 28.738 -0.300 0.000 0.906 205 Q HN 0.368 nan 8.270 nan 0.000 0.444 206 N N 0.540 119.075 118.700 -0.275 0.000 2.501 206 N HA 0.139 4.879 4.740 -0.000 0.000 0.245 206 N C -2.155 173.318 175.510 -0.063 0.000 0.974 206 N CA -1.652 51.255 53.050 -0.238 0.000 0.941 206 N CB 1.489 39.820 38.487 -0.261 0.000 1.122 206 N HN -0.114 nan 8.380 nan 0.000 0.507 207 P HA -0.159 nan 4.420 nan 0.000 0.211 207 P C 0.348 177.689 177.300 0.069 0.000 1.181 207 P CA 1.274 64.395 63.100 0.035 0.000 0.929 207 P CB 0.123 31.832 31.700 0.015 0.000 0.789 208 I N -2.024 118.567 120.570 0.033 0.000 2.392 208 I HA 0.526 4.696 4.170 -0.000 0.000 0.295 208 I C -0.269 175.870 176.117 0.037 0.000 0.985 208 I CA -1.119 60.209 61.300 0.048 0.000 1.221 208 I CB 1.216 39.237 38.000 0.035 0.000 1.366 208 I HN -0.096 nan 8.210 nan 0.000 0.467 209 R N 5.949 126.488 120.500 0.065 0.000 2.575 209 R HA 0.730 5.070 4.340 -0.000 0.000 0.293 209 R C -2.183 174.150 176.300 0.054 0.000 0.983 209 R CA -0.749 55.380 56.100 0.048 0.000 0.887 209 R CB 2.254 32.576 30.300 0.037 0.000 1.184 209 R HN 0.898 nan 8.270 nan 0.000 0.445 210 L N 5.457 126.713 121.223 0.055 0.000 2.346 210 L HA 0.606 4.946 4.340 -0.000 0.000 0.274 210 L C -1.084 175.812 176.870 0.043 0.000 1.007 210 L CA -0.813 54.058 54.840 0.052 0.000 0.818 210 L CB 1.857 43.955 42.059 0.065 0.000 1.284 210 L HN 0.683 nan 8.230 nan 0.000 0.424 211 I N 4.476 125.049 120.570 0.005 0.000 2.495 211 I HA 0.288 4.458 4.170 -0.000 0.000 0.277 211 I C 0.811 176.866 176.117 -0.104 0.000 1.045 211 I CA -0.250 61.020 61.300 -0.051 0.000 1.135 211 I CB 1.783 39.745 38.000 -0.064 0.000 1.241 211 I HN 0.788 nan 8.210 nan 0.000 0.469 212 A N 4.029 126.738 122.820 -0.185 0.000 1.858 212 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 212 A C 0.876 178.371 177.584 -0.148 0.000 1.190 212 A CA 1.580 53.461 52.037 -0.261 0.000 0.617 212 A CB -0.019 18.600 19.000 -0.634 0.000 0.827 212 A HN 0.667 nan 8.150 nan 0.000 0.443 213 D N -1.546 118.771 120.400 -0.140 0.000 2.863 213 D HA 0.411 5.051 4.640 -0.000 0.000 0.245 213 D C 0.139 176.294 176.300 -0.241 0.000 1.211 213 D CA -0.367 53.576 54.000 -0.094 0.000 0.888 213 D CB 2.117 42.929 40.800 0.019 0.000 1.483 213 D HN -0.076 nan 8.370 nan 0.000 0.533 214 V N 2.622 122.427 119.914 -0.182 0.000 3.406 214 V HA 0.112 4.232 4.120 -0.000 0.000 0.263 214 V C 1.726 177.791 176.094 -0.048 0.000 1.172 214 V CA 1.185 63.346 62.300 -0.231 0.000 1.140 214 V CB 0.146 31.872 31.823 -0.162 0.000 0.784 214 V HN 0.654 nan 8.190 nan 0.000 0.467 215 A N -0.201 122.647 122.820 0.046 0.000 2.507 215 A HA 0.347 4.667 4.320 -0.000 0.000 0.270 215 A C 0.771 178.496 177.584 0.235 0.000 1.318 215 A CA -0.389 51.721 52.037 0.123 0.000 0.924 215 A CB -0.463 18.579 19.000 0.070 0.000 1.061 215 A HN 0.543 nan 8.150 nan 0.000 0.516 216 Y N -1.045 119.272 120.300 0.028 0.000 2.330 216 Y HA 0.640 5.190 4.550 -0.000 0.000 0.387 216 Y C 0.226 176.146 175.900 0.033 0.000 1.365 216 Y CA -0.762 57.360 58.100 0.037 0.000 1.828 216 Y CB -0.552 37.941 38.460 0.054 0.000 1.696 216 Y HN 0.031 nan 8.280 nan 0.000 0.616 217 T N 1.992 116.384 114.554 -0.270 0.000 3.031 217 T HA 0.449 4.799 4.350 -0.000 0.000 0.305 217 T C -3.175 171.222 174.700 -0.504 0.000 0.985 217 T CA -1.746 60.135 62.100 -0.366 0.000 1.008 217 T CB 0.430 69.225 68.868 -0.121 0.000 1.005 217 T HN 0.479 nan 8.240 nan 0.000 0.444 218 P HA 0.211 nan 4.420 nan 0.000 0.261 218 P C -0.511 176.661 177.300 -0.214 0.000 1.203 218 P CA -0.315 62.527 63.100 -0.431 0.000 0.767 218 P CB 0.128 31.658 31.700 -0.283 0.000 0.785 219 M N 4.851 124.355 119.600 -0.161 0.000 2.194 219 M HA 0.132 4.612 4.480 -0.000 0.000 0.347 219 M C 0.450 176.667 176.300 -0.139 0.000 1.439 219 M CA 0.308 55.544 55.300 -0.106 0.000 1.131 219 M CB 0.019 32.577 32.600 -0.070 0.000 1.733 219 M HN 0.183 nan 8.290 nan 0.000 0.467 220 R N 2.673 123.064 120.500 -0.183 0.000 2.560 220 R HA 0.647 4.987 4.340 -0.000 0.000 0.270 220 R C -0.730 175.240 176.300 -0.550 0.000 1.074 220 R CA -0.811 55.066 56.100 -0.372 0.000 1.140 220 R CB 0.632 30.651 30.300 -0.467 0.000 1.073 220 R HN 0.610 nan 8.270 nan 0.000 0.527 221 V N -0.359 119.180 119.914 -0.625 0.000 2.448 221 V HA 0.636 4.755 4.120 -0.000 0.000 0.295 221 V C -0.989 174.734 176.094 -0.618 0.000 1.025 221 V CA -0.861 61.132 62.300 -0.511 0.000 0.859 221 V CB 0.990 32.666 31.823 -0.246 0.000 0.988 221 V HN 0.502 nan 8.190 nan 0.000 0.431 222 F N 4.903 124.866 119.950 0.021 0.000 2.561 222 F HA 0.805 5.332 4.527 -0.000 0.000 0.321 222 F C -2.211 173.626 175.800 0.062 0.000 1.065 222 F CA -2.784 55.248 58.000 0.054 0.000 0.934 222 F CB 1.993 41.010 39.000 0.028 0.000 1.215 222 F HN 0.368 nan 8.300 nan 0.000 0.471 223 P HA 0.103 nan 4.420 nan 0.000 0.271 223 P C -0.009 177.500 177.300 0.348 0.000 1.218 223 P CA 0.003 63.300 63.100 0.329 0.000 0.780 223 P CB 1.182 33.015 31.700 0.222 0.000 0.901 224 A N 3.907 126.901 122.820 0.289 0.000 2.019 224 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 224 A C 1.076 178.745 177.584 0.142 0.000 1.164 224 A CA 1.186 53.346 52.037 0.205 0.000 0.644 224 A CB -0.387 18.707 19.000 0.156 0.000 0.805 224 A HN 0.467 nan 8.150 nan 0.000 0.449 225 L N 0.287 121.542 121.223 0.054 0.000 2.322 225 L HA 0.269 4.609 4.340 -0.000 0.000 0.281 225 L C -0.353 176.332 176.870 -0.308 0.000 1.014 225 L CA -0.549 54.198 54.840 -0.156 0.000 0.815 225 L CB 1.074 43.082 42.059 -0.086 0.000 1.247 225 L HN 0.239 nan 8.230 nan 0.000 0.421 226 N N 5.217 123.426 118.700 -0.817 0.000 2.412 226 N HA 0.034 4.774 4.740 -0.000 0.000 0.279 226 N C -1.747 173.625 175.510 -0.230 0.000 1.287 226 N CA -1.212 51.420 53.050 -0.697 0.000 0.948 226 N CB 1.004 38.965 38.487 -0.878 0.000 1.255 226 N HN 0.290 nan 8.380 nan 0.000 0.485 227 P HA -0.119 nan 4.420 nan 0.000 0.218 227 P C 0.624 177.902 177.300 -0.037 0.000 1.146 227 P CA 1.049 64.129 63.100 -0.033 0.000 0.813 227 P CB 0.365 32.073 31.700 0.013 0.000 0.778 228 E N -1.749 118.428 120.200 -0.038 0.000 2.418 228 E HA -0.062 4.288 4.350 -0.000 0.000 0.197 228 E C 1.576 178.149 176.600 -0.045 0.000 1.026 228 E CA 1.135 57.517 56.400 -0.029 0.000 0.862 228 E CB -0.461 29.230 29.700 -0.015 0.000 0.799 228 E HN 0.249 nan 8.360 nan 0.000 0.518 229 T N -1.748 112.761 114.554 -0.076 0.000 3.009 229 T HA 0.074 4.424 4.350 -0.000 0.000 0.267 229 T C 0.218 174.871 174.700 -0.079 0.000 0.942 229 T CA 0.252 62.307 62.100 -0.074 0.000 0.883 229 T CB -0.161 68.656 68.868 -0.085 0.000 1.192 229 T HN 0.177 nan 8.240 nan 0.000 0.524 230 N N 1.119 119.764 118.700 -0.093 0.000 2.741 230 N HA -0.130 4.609 4.740 -0.000 0.000 0.251 230 N C -0.833 174.622 175.510 -0.092 0.000 1.112 230 N CA 0.975 53.978 53.050 -0.080 0.000 0.750 230 N CB -0.435 38.025 38.487 -0.046 0.000 1.119 230 N HN 0.639 nan 8.380 nan 0.000 0.561 231 E N -0.459 119.658 120.200 -0.137 0.000 2.343 231 E HA 0.415 4.765 4.350 -0.000 0.000 0.270 231 E C -0.691 175.776 176.600 -0.221 0.000 0.895 231 E CA -0.717 55.604 56.400 -0.130 0.000 0.767 231 E CB 1.843 31.492 29.700 -0.085 0.000 1.248 231 E HN 0.021 nan 8.360 nan 0.000 0.440 232 S N 0.726 116.331 115.700 -0.159 0.000 2.572 232 S HA 0.129 4.599 4.470 -0.000 0.000 0.267 232 S C -0.492 173.995 174.600 -0.189 0.000 1.361 232 S CA -0.236 57.863 58.200 -0.167 0.000 1.009 232 S CB 0.155 63.313 63.200 -0.070 0.000 0.888 232 S HN 0.236 nan 8.310 nan 0.000 0.553 233 F N 1.899 121.871 119.950 0.038 0.000 2.427 233 F HA 0.182 4.709 4.527 -0.000 0.000 0.352 233 F C 0.885 176.755 175.800 0.115 0.000 1.100 233 F CA -0.491 57.577 58.000 0.113 0.000 1.191 233 F CB 0.482 39.574 39.000 0.154 0.000 1.128 233 F HN 0.394 nan 8.300 nan 0.000 0.533 234 D N 4.917 125.549 120.400 0.386 0.000 2.422 234 D HA 0.154 4.794 4.640 -0.000 0.000 0.227 234 D C 0.254 176.715 176.300 0.269 0.000 1.190 234 D CA 0.082 54.271 54.000 0.314 0.000 0.905 234 D CB 0.328 41.373 40.800 0.408 0.000 1.034 234 D HN 0.511 nan 8.370 nan 0.000 0.507 235 L N 2.665 123.967 121.223 0.132 0.000 2.737 235 L HA 0.080 4.420 4.340 -0.000 0.000 0.236 235 L C 2.004 178.850 176.870 -0.039 0.000 1.219 235 L CA -0.253 54.576 54.840 -0.018 0.000 1.021 235 L CB -0.112 41.969 42.059 0.037 0.000 1.291 235 L HN 0.197 nan 8.230 nan 0.000 0.470 236 S N -0.201 115.502 115.700 0.005 0.000 2.369 236 S HA -0.235 4.235 4.470 -0.000 0.000 0.225 236 S C 1.527 176.080 174.600 -0.078 0.000 1.043 236 S CA 1.651 59.844 58.200 -0.012 0.000 1.074 236 S CB -0.349 62.837 63.200 -0.024 0.000 0.962 236 S HN 0.507 nan 8.310 nan 0.000 0.433 237 Y N 1.583 121.588 120.300 -0.492 0.000 2.502 237 Y HA 0.221 4.771 4.550 -0.000 0.000 0.295 237 Y C 1.448 177.011 175.900 -0.563 0.000 1.193 237 Y CA -0.521 57.232 58.100 -0.578 0.000 1.295 237 Y CB 0.001 38.011 38.460 -0.750 0.000 1.059 237 Y HN 0.159 nan 8.280 nan 0.000 0.514 238 S N -0.555 115.060 115.700 -0.140 0.000 2.584 238 S HA 0.056 4.526 4.470 -0.000 0.000 0.270 238 S C 1.106 175.718 174.600 0.021 0.000 1.346 238 S CA -0.431 57.787 58.200 0.030 0.000 1.018 238 S CB 1.279 64.480 63.200 0.001 0.000 0.899 238 S HN 0.108 nan 8.310 nan 0.000 0.542 239 V N 3.459 123.432 119.914 0.099 0.000 3.431 239 V HA 0.174 4.293 4.120 -0.000 0.000 0.253 239 V C 1.404 177.553 176.094 0.091 0.000 1.184 239 V CA 0.851 63.205 62.300 0.091 0.000 1.104 239 V CB -0.223 31.678 31.823 0.130 0.000 0.799 239 V HN 0.810 nan 8.190 nan 0.000 0.462 240 L N -0.537 120.726 121.223 0.067 0.000 2.664 240 L HA 0.286 4.626 4.340 -0.000 0.000 0.233 240 L C 1.267 178.181 176.870 0.073 0.000 1.113 240 L CA -0.092 54.779 54.840 0.053 0.000 0.896 240 L CB -0.044 42.002 42.059 -0.022 0.000 1.163 240 L HN 0.160 nan 8.230 nan 0.000 0.497 241 R N 2.299 122.833 120.500 0.056 0.000 2.466 241 R HA -0.100 4.240 4.340 -0.000 0.000 0.280 241 R C 0.498 176.853 176.300 0.092 0.000 0.926 241 R CA 0.413 56.545 56.100 0.054 0.000 1.127 241 R CB 0.384 30.698 30.300 0.023 0.000 0.871 241 R HN 0.303 nan 8.270 nan 0.000 0.421 242 S N 2.984 118.748 115.700 0.107 0.000 2.560 242 S HA 0.143 4.613 4.470 -0.000 0.000 0.284 242 S C 0.331 175.030 174.600 0.165 0.000 1.327 242 S CA -0.987 57.325 58.200 0.186 0.000 1.055 242 S CB 1.251 64.535 63.200 0.140 0.000 0.868 242 S HN 0.395 nan 8.310 nan 0.000 0.506 243 V N 2.753 122.802 119.914 0.226 0.000 2.881 243 V HA 0.309 4.429 4.120 -0.000 0.000 0.303 243 V C 1.115 177.312 176.094 0.172 0.000 1.070 243 V CA -0.556 61.835 62.300 0.151 0.000 1.074 243 V CB 1.255 33.128 31.823 0.084 0.000 1.012 243 V HN 1.066 nan 8.190 nan 0.000 0.482 244 S N 3.649 119.431 115.700 0.138 0.000 2.579 244 S HA 0.162 4.632 4.470 -0.000 0.000 0.275 244 S C -1.424 173.261 174.600 0.142 0.000 1.345 244 S CA -0.716 57.560 58.200 0.127 0.000 1.031 244 S CB 0.938 64.205 63.200 0.111 0.000 0.892 244 S HN 0.629 nan 8.310 nan 0.000 0.529 245 P HA -0.035 nan 4.420 nan 0.000 0.216 245 P C 1.489 178.843 177.300 0.091 0.000 1.153 245 P CA 0.697 63.857 63.100 0.100 0.000 0.844 245 P CB -0.002 31.743 31.700 0.075 0.000 0.787 246 I N -0.486 120.143 120.570 0.098 0.000 2.076 246 I HA -0.262 3.908 4.170 -0.000 0.000 0.237 246 I C 2.438 178.642 176.117 0.144 0.000 1.059 246 I CA 2.059 63.423 61.300 0.107 0.000 1.317 246 I CB -1.876 36.189 38.000 0.109 0.000 1.037 246 I HN 0.091 nan 8.210 nan 0.000 0.398 247 H N 0.340 119.453 119.070 0.071 0.000 2.456 247 H HA -0.143 4.413 4.556 -0.000 0.000 0.296 247 H C 2.337 177.699 175.328 0.057 0.000 1.079 247 H CA 1.759 57.843 56.048 0.059 0.000 1.322 247 H CB -0.095 29.663 29.762 -0.006 0.000 1.388 247 H HN 0.297 nan 8.280 nan 0.000 0.538 248 C N 0.185 119.463 119.300 -0.037 0.000 2.450 248 C HA -0.043 4.417 4.460 -0.000 0.000 0.279 248 C C 2.642 177.593 174.990 -0.065 0.000 1.335 248 C CA 1.149 60.114 59.018 -0.089 0.000 1.749 248 C CB -0.592 27.172 27.740 0.041 0.000 1.963 248 C HN 0.749 nan 8.230 nan 0.000 0.501 249 E N -0.750 119.445 120.200 -0.007 0.000 2.072 249 E HA -0.202 4.148 4.350 -0.000 0.000 0.190 249 E C 1.909 178.499 176.600 -0.016 0.000 0.982 249 E CA 0.999 57.396 56.400 -0.005 0.000 0.803 249 E CB -0.259 29.447 29.700 0.010 0.000 0.755 249 E HN 0.694 nan 8.360 nan 0.000 0.453 250 Y N 1.444 121.664 120.300 -0.133 0.000 2.053 250 Y HA -0.255 4.295 4.550 -0.000 0.000 0.277 250 Y C 2.074 177.855 175.900 -0.198 0.000 1.159 250 Y CA 1.815 59.827 58.100 -0.147 0.000 1.125 250 Y CB -0.469 37.905 38.460 -0.143 0.000 0.969 250 Y HN 0.051 nan 8.280 nan 0.000 0.492 251 L N -0.757 120.435 121.223 -0.052 0.000 2.127 251 L HA -0.239 4.101 4.340 -0.000 0.000 0.211 251 L C 2.244 179.064 176.870 -0.085 0.000 1.089 251 L CA 1.988 56.734 54.840 -0.157 0.000 0.757 251 L CB -1.041 40.805 42.059 -0.355 0.000 0.899 251 L HN 0.378 nan 8.230 nan 0.000 0.434 252 T N -4.554 109.960 114.554 -0.066 0.000 3.055 252 T HA -0.019 4.330 4.350 -0.000 0.000 0.265 252 T C 1.564 176.249 174.700 -0.025 0.000 1.111 252 T CA 0.526 62.604 62.100 -0.036 0.000 1.118 252 T CB -0.257 68.597 68.868 -0.023 0.000 0.909 252 T HN 0.177 nan 8.240 nan 0.000 0.501 253 N N 1.329 120.007 118.700 -0.037 0.000 2.309 253 N HA 0.158 4.898 4.740 -0.000 0.000 0.182 253 N C 1.595 177.096 175.510 -0.014 0.000 1.018 253 N CA 0.943 53.964 53.050 -0.049 0.000 0.876 253 N CB -0.370 38.041 38.487 -0.127 0.000 0.972 253 N HN 0.471 nan 8.380 nan 0.000 0.434 254 M N -1.630 117.980 119.600 0.016 0.000 2.476 254 M HA 0.167 4.647 4.480 -0.000 0.000 0.262 254 M C 1.049 177.382 176.300 0.055 0.000 1.111 254 M CA 0.700 56.041 55.300 0.069 0.000 1.127 254 M CB 0.443 33.103 32.600 0.101 0.000 1.376 254 M HN 0.231 nan 8.290 nan 0.000 0.465 255 G N 0.386 109.197 108.800 0.019 0.000 2.176 255 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.232 255 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.232 255 G C 0.004 174.909 174.900 0.008 0.000 0.986 255 G CA -0.327 44.781 45.100 0.014 0.000 0.643 255 G HN 0.269 nan 8.290 nan 0.000 0.522 256 V N 1.513 121.418 119.914 -0.014 0.000 2.498 256 V HA 0.536 4.656 4.120 -0.000 0.000 0.279 256 V C 1.321 177.383 176.094 -0.054 0.000 1.048 256 V CA 0.537 62.812 62.300 -0.042 0.000 0.967 256 V CB 1.267 32.988 31.823 -0.171 0.000 0.988 256 V HN 0.541 nan 8.190 nan 0.000 0.473 257 R N 2.879 123.376 120.500 -0.004 0.000 2.549 257 R HA 0.678 5.018 4.340 -0.000 0.000 0.361 257 R C 0.022 176.322 176.300 0.000 0.000 0.969 257 R CA -0.061 56.031 56.100 -0.014 0.000 1.158 257 R CB 0.849 31.154 30.300 0.009 0.000 1.456 257 R HN 0.581 nan 8.270 nan 0.000 0.540 258 A N 1.101 123.956 122.820 0.057 0.000 2.427 258 A HA 0.609 4.929 4.320 -0.000 0.000 0.298 258 A C -1.075 176.564 177.584 0.091 0.000 1.036 258 A CA -0.624 51.464 52.037 0.085 0.000 0.701 258 A CB 2.034 21.133 19.000 0.166 0.000 1.250 258 A HN 0.111 nan 8.150 nan 0.000 0.412 259 S N 2.969 118.689 115.700 0.035 0.000 2.521 259 S HA 0.811 5.281 4.470 -0.000 0.000 0.295 259 S C -0.873 173.720 174.600 -0.011 0.000 1.098 259 S CA -0.493 57.726 58.200 0.031 0.000 0.999 259 S CB 1.108 64.350 63.200 0.069 0.000 1.034 259 S HN 0.824 nan 8.310 nan 0.000 0.483 260 M N 4.223 123.753 119.600 -0.118 0.000 2.271 260 M HA 0.429 4.909 4.480 -0.000 0.000 0.285 260 M C -1.370 174.857 176.300 -0.121 0.000 1.059 260 M CA -0.210 55.006 55.300 -0.139 0.000 0.940 260 M CB 1.785 34.214 32.600 -0.286 0.000 1.636 260 M HN 0.865 nan 8.290 nan 0.000 0.460 261 S N 6.267 121.956 115.700 -0.018 0.000 2.733 261 S HA 0.666 5.136 4.470 -0.000 0.000 0.294 261 S C -0.931 173.707 174.600 0.064 0.000 1.149 261 S CA -0.808 57.406 58.200 0.024 0.000 1.034 261 S CB 0.926 64.191 63.200 0.107 0.000 1.015 261 S HN 0.596 nan 8.310 nan 0.000 0.486 262 I N 3.928 124.548 120.570 0.084 0.000 2.291 262 I HA 0.260 4.430 4.170 -0.000 0.000 0.292 262 I C 0.743 177.008 176.117 0.246 0.000 1.064 262 I CA -0.245 61.155 61.300 0.165 0.000 1.269 262 I CB 0.398 38.500 38.000 0.170 0.000 1.418 262 I HN 0.621 nan 8.210 nan 0.000 0.485 263 S N 7.180 122.992 115.700 0.187 0.000 2.589 263 S HA 0.512 4.982 4.470 -0.000 0.000 0.265 263 S C 0.163 174.889 174.600 0.212 0.000 1.342 263 S CA -0.234 58.068 58.200 0.171 0.000 1.005 263 S CB 1.188 64.485 63.200 0.162 0.000 0.909 263 S HN 0.420 nan 8.310 nan 0.000 0.555 264 I N 1.764 122.453 120.570 0.198 0.000 2.468 264 I HA 0.324 4.494 4.170 -0.000 0.000 0.284 264 I C -1.193 175.046 176.117 0.203 0.000 1.038 264 I CA -0.666 60.755 61.300 0.201 0.000 1.083 264 I CB 1.640 39.774 38.000 0.225 0.000 1.223 264 I HN 0.205 nan 8.210 nan 0.000 0.443 265 V N 6.538 126.532 119.914 0.133 0.000 2.417 265 V HA 0.500 4.620 4.120 -0.000 0.000 0.291 265 V C -0.036 176.101 176.094 0.071 0.000 1.024 265 V CA -0.798 61.575 62.300 0.122 0.000 0.861 265 V CB 1.924 33.798 31.823 0.085 0.000 0.985 265 V HN 0.516 nan 8.190 nan 0.000 0.436 266 V N 2.289 122.262 119.914 0.098 0.000 2.487 266 V HA 1.014 5.133 4.120 -0.000 0.000 0.298 266 V C 0.691 176.826 176.094 0.068 0.000 1.028 266 V CA 0.392 62.712 62.300 0.033 0.000 0.860 266 V CB 0.510 32.310 31.823 -0.039 0.000 0.991 266 V HN 1.435 nan 8.190 nan 0.000 0.427 267 G N 4.542 113.364 108.800 0.037 0.000 2.602 267 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.310 267 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.310 267 G C 0.911 175.841 174.900 0.051 0.000 1.183 267 G CA 0.677 45.803 45.100 0.043 0.000 0.979 267 G HN 2.099 nan 8.290 nan 0.000 0.545 268 G N 0.413 109.249 108.800 0.059 0.000 3.228 268 G HA2 0.468 4.428 3.960 -0.000 0.000 0.245 268 G HA3 0.468 4.428 3.960 -0.000 0.000 0.245 268 G C 0.590 175.528 174.900 0.062 0.000 1.051 268 G CA 1.220 46.352 45.100 0.054 0.000 0.809 268 G HN 0.805 nan 8.290 nan 0.000 0.531 269 K N 0.605 121.057 120.400 0.087 0.000 2.118 269 K HA 0.464 4.784 4.320 -0.000 0.000 0.264 269 K C -0.822 175.852 176.600 0.123 0.000 1.000 269 K CA -0.825 55.519 56.287 0.095 0.000 0.929 269 K CB 1.324 33.900 32.500 0.126 0.000 1.021 269 K HN -0.029 nan 8.250 nan 0.000 0.463 270 L N 5.452 126.722 121.223 0.078 0.000 2.312 270 L HA 0.163 4.502 4.340 -0.000 0.000 0.287 270 L C 0.337 177.338 176.870 0.219 0.000 1.091 270 L CA -0.018 54.882 54.840 0.101 0.000 0.846 270 L CB 0.184 42.216 42.059 -0.046 0.000 1.219 270 L HN 0.860 nan 8.230 nan 0.000 0.439 271 W N 5.505 126.878 121.300 0.122 0.000 2.381 271 W HA 0.300 4.960 4.660 -0.000 0.000 0.301 271 W C 0.996 177.673 176.519 0.264 0.000 1.205 271 W CA 1.376 58.809 57.345 0.147 0.000 1.285 271 W CB 0.217 29.715 29.460 0.063 0.000 1.133 271 W HN 0.678 nan 8.180 nan 0.000 0.521 272 G N -0.579 108.504 108.800 0.471 0.000 2.340 272 G HA2 0.407 4.367 3.960 -0.000 0.000 0.298 272 G HA3 0.407 4.367 3.960 -0.000 0.000 0.298 272 G C -2.282 172.698 174.900 0.134 0.000 1.498 272 G CA -0.572 44.661 45.100 0.221 0.000 0.847 272 G HN 0.517 nan 8.290 nan 0.000 0.594 273 L N -2.077 119.126 121.223 -0.034 0.000 2.445 273 L HA 0.912 5.252 4.340 -0.000 0.000 0.262 273 L C -1.013 175.627 176.870 -0.383 0.000 0.974 273 L CA -1.254 53.515 54.840 -0.118 0.000 0.822 273 L CB 1.390 43.426 42.059 -0.038 0.000 1.339 273 L HN 0.418 nan 8.230 nan 0.000 0.409 274 F N 0.946 120.799 119.950 -0.162 0.000 2.429 274 F HA 0.594 5.121 4.527 -0.000 0.000 0.348 274 F C 1.079 176.697 175.800 -0.304 0.000 1.109 274 F CA 0.074 57.915 58.000 -0.265 0.000 1.232 274 F CB 1.431 40.336 39.000 -0.158 0.000 1.157 274 F HN 0.679 nan 8.300 nan 0.000 0.564 275 S N 3.009 118.545 115.700 -0.274 0.000 2.652 275 S HA 0.437 4.907 4.470 -0.000 0.000 0.252 275 S C -1.034 173.340 174.600 -0.377 0.000 1.219 275 S CA -0.807 57.217 58.200 -0.292 0.000 1.151 275 S CB -0.278 62.726 63.200 -0.326 0.000 1.080 275 S HN 0.705 nan 8.310 nan 0.000 0.481 276 C N 5.293 124.384 119.300 -0.349 0.000 2.576 276 C HA 0.497 4.957 4.460 -0.000 0.000 0.401 276 C C 0.643 175.436 174.990 -0.328 0.000 1.314 276 C CA -0.548 58.167 59.018 -0.504 0.000 1.855 276 C CB -1.653 25.482 27.740 -1.008 0.000 2.537 276 C HN 0.838 nan 8.230 nan 0.000 0.578 277 H N -0.001 118.944 119.070 -0.209 0.000 2.616 277 H HA 0.556 5.112 4.556 -0.000 0.000 0.353 277 H C -0.713 174.727 175.328 0.187 0.000 1.170 277 H CA -0.569 55.459 56.048 -0.034 0.000 1.212 277 H CB 1.694 31.468 29.762 0.020 0.000 1.653 277 H HN 0.784 nan 8.280 nan 0.000 0.537 278 H N 0.798 120.026 119.070 0.263 0.000 2.930 278 H HA 0.169 4.725 4.556 -0.000 0.000 0.371 278 H C -0.186 175.218 175.328 0.127 0.000 1.169 278 H CA -0.688 55.518 56.048 0.263 0.000 1.157 278 H CB 1.186 31.169 29.762 0.369 0.000 1.789 278 H HN 0.469 nan 8.280 nan 0.000 0.547 279 M N 1.610 121.166 119.600 -0.072 0.000 2.428 279 M HA 0.180 4.660 4.480 -0.000 0.000 0.239 279 M C -0.087 176.252 176.300 0.066 0.000 1.121 279 M CA 0.182 55.477 55.300 -0.009 0.000 1.019 279 M CB -0.927 31.631 32.600 -0.070 0.000 1.485 279 M HN 0.494 nan 8.290 nan 0.000 0.484 280 S N -0.681 115.155 115.700 0.228 0.000 2.607 280 S HA 0.743 5.213 4.470 -0.000 0.000 0.273 280 S C -3.111 171.609 174.600 0.200 0.000 1.148 280 S CA -1.441 56.876 58.200 0.195 0.000 0.833 280 S CB 1.954 65.252 63.200 0.163 0.000 1.130 280 S HN -0.122 nan 8.310 nan 0.000 0.470 281 P HA 0.312 nan 4.420 nan 0.000 0.264 281 P C -0.990 176.267 177.300 -0.073 0.000 1.193 281 P CA 0.058 63.165 63.100 0.011 0.000 0.763 281 P CB 0.265 31.966 31.700 0.001 0.000 0.810 282 K N 3.160 123.473 120.400 -0.144 0.000 2.464 282 K HA 0.619 4.939 4.320 -0.000 0.000 0.253 282 K C -1.770 174.713 176.600 -0.195 0.000 0.933 282 K CA -0.863 55.248 56.287 -0.294 0.000 0.801 282 K CB 1.603 33.668 32.500 -0.726 0.000 1.271 282 K HN 0.350 nan 8.250 nan 0.000 0.430 283 L N 4.881 125.989 121.223 -0.192 0.000 2.410 283 L HA 0.533 4.873 4.340 -0.000 0.000 0.270 283 L C -1.478 175.336 176.870 -0.094 0.000 0.983 283 L CA -0.934 53.819 54.840 -0.145 0.000 0.822 283 L CB 1.534 43.494 42.059 -0.165 0.000 1.285 283 L HN 0.616 nan 8.230 nan 0.000 0.409 284 I N 6.316 126.870 120.570 -0.026 0.000 2.354 284 I HA 0.429 4.598 4.170 -0.000 0.000 0.292 284 I C -2.065 174.080 176.117 0.046 0.000 0.989 284 I CA -2.055 59.259 61.300 0.023 0.000 1.188 284 I CB 1.682 39.742 38.000 0.100 0.000 1.342 284 I HN 0.430 nan 8.210 nan 0.000 0.457 285 P HA -0.093 nan 4.420 nan 0.000 0.264 285 P C 0.355 177.705 177.300 0.083 0.000 1.183 285 P CA 0.261 63.396 63.100 0.058 0.000 0.763 285 P CB 0.257 31.971 31.700 0.023 0.000 0.807 286 Y N 7.705 128.011 120.300 0.011 0.000 2.151 286 Y HA -0.209 4.341 4.550 -0.000 0.000 0.284 286 Y C -0.923 174.958 175.900 -0.032 0.000 1.166 286 Y CA 2.247 60.352 58.100 0.007 0.000 1.163 286 Y CB -1.831 36.642 38.460 0.021 0.000 0.974 286 Y HN 0.428 nan 8.280 nan 0.000 0.511 287 P HA -0.161 nan 4.420 nan 0.000 0.218 287 P C 1.857 178.978 177.300 -0.299 0.000 1.149 287 P CA 1.829 64.823 63.100 -0.177 0.000 0.817 287 P CB -0.017 31.649 31.700 -0.057 0.000 0.785 288 V N 0.091 119.871 119.914 -0.223 0.000 2.255 288 V HA -0.173 3.947 4.120 -0.000 0.000 0.243 288 V C 2.466 178.416 176.094 -0.239 0.000 1.038 288 V CA 1.543 63.670 62.300 -0.289 0.000 1.008 288 V CB -1.040 30.701 31.823 -0.137 0.000 0.645 288 V HN -0.006 nan 8.190 nan 0.000 0.449 289 R N -0.783 119.682 120.500 -0.058 0.000 2.244 289 R HA -0.230 4.110 4.340 -0.000 0.000 0.252 289 R C 2.134 178.350 176.300 -0.140 0.000 1.177 289 R CA 1.500 57.610 56.100 0.016 0.000 1.004 289 R CB -0.237 30.057 30.300 -0.009 0.000 0.873 289 R HN 0.397 nan 8.270 nan 0.000 0.469 290 M N -0.766 118.618 119.600 -0.360 0.000 2.248 290 M HA -0.058 4.422 4.480 -0.000 0.000 0.265 290 M C 2.390 178.473 176.300 -0.362 0.000 1.079 290 M CA 1.453 56.504 55.300 -0.415 0.000 1.150 290 M CB -0.705 31.549 32.600 -0.578 0.000 1.366 290 M HN 0.099 nan 8.290 nan 0.000 0.433 291 S N 0.336 115.702 115.700 -0.555 0.000 2.382 291 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 291 S C 1.823 176.117 174.600 -0.510 0.000 1.027 291 S CA 1.070 58.783 58.200 -0.811 0.000 0.991 291 S CB -0.994 61.119 63.200 -1.812 0.000 0.823 291 S HN 0.292 nan 8.310 nan 0.000 0.469 292 F N 2.274 122.014 119.950 -0.350 0.000 2.451 292 F HA 0.092 4.619 4.527 -0.000 0.000 0.299 292 F C 2.718 178.474 175.800 -0.073 0.000 1.101 292 F CA 0.769 58.629 58.000 -0.234 0.000 1.436 292 F CB -0.660 38.241 39.000 -0.164 0.000 1.074 292 F HN 0.368 nan 8.300 nan 0.000 0.553 293 Q N 0.382 120.220 119.800 0.062 0.000 2.311 293 Q HA -0.095 4.245 4.340 -0.000 0.000 0.203 293 Q C 2.071 178.122 176.000 0.084 0.000 0.954 293 Q CA 0.928 56.764 55.803 0.054 0.000 0.885 293 Q CB -0.032 28.687 28.738 -0.033 0.000 0.963 293 Q HN 0.442 nan 8.270 nan 0.000 0.471 294 I N 0.027 120.645 120.570 0.080 0.000 2.252 294 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 294 I C 1.676 177.983 176.117 0.316 0.000 1.102 294 I CA 0.668 62.060 61.300 0.154 0.000 1.385 294 I CB -0.369 37.721 38.000 0.151 0.000 1.064 294 I HN 0.184 nan 8.210 nan 0.000 0.414 295 F N 1.217 121.242 119.950 0.124 0.000 2.095 295 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 295 F C 3.042 178.875 175.800 0.055 0.000 1.104 295 F CA 1.550 59.597 58.000 0.078 0.000 1.232 295 F CB -1.326 37.734 39.000 0.100 0.000 0.987 295 F HN 0.043 nan 8.300 nan 0.000 0.475 296 S N -0.674 115.196 115.700 0.284 0.000 2.407 296 S HA -0.259 4.210 4.470 -0.000 0.000 0.235 296 S C 2.010 176.694 174.600 0.141 0.000 1.036 296 S CA 1.689 60.010 58.200 0.202 0.000 1.013 296 S CB -0.239 63.059 63.200 0.163 0.000 0.820 296 S HN 0.532 nan 8.310 nan 0.000 0.476 297 Q N -0.468 119.407 119.800 0.125 0.000 2.137 297 Q HA -0.006 4.334 4.340 -0.000 0.000 0.198 297 Q C 2.275 178.305 176.000 0.051 0.000 0.960 297 Q CA 1.508 57.356 55.803 0.076 0.000 0.847 297 Q CB 0.016 28.794 28.738 0.067 0.000 0.915 297 Q HN 0.557 nan 8.270 nan 0.000 0.448 298 V N -0.401 119.548 119.914 0.060 0.000 2.346 298 V HA -0.235 3.885 4.120 -0.000 0.000 0.244 298 V C 2.344 178.419 176.094 -0.032 0.000 1.037 298 V CA 1.122 63.425 62.300 0.004 0.000 1.029 298 V CB -0.778 31.037 31.823 -0.012 0.000 0.663 298 V HN 0.420 nan 8.190 nan 0.000 0.454 299 C N 0.478 119.763 119.300 -0.024 0.000 2.391 299 C HA -0.188 4.272 4.460 -0.000 0.000 0.276 299 C C 3.177 178.148 174.990 -0.032 0.000 1.217 299 C CA 1.806 60.822 59.018 -0.004 0.000 1.766 299 C CB -1.204 26.616 27.740 0.133 0.000 2.046 299 C HN 0.601 nan 8.230 nan 0.000 0.475 300 S N 0.034 115.733 115.700 -0.003 0.000 2.474 300 S HA -0.007 4.463 4.470 -0.000 0.000 0.235 300 S C 1.808 176.352 174.600 -0.094 0.000 0.997 300 S CA 1.140 59.309 58.200 -0.051 0.000 0.949 300 S CB -0.166 63.039 63.200 0.007 0.000 0.766 300 S HN 0.760 nan 8.310 nan 0.000 0.517 301 A N -0.262 122.516 122.820 -0.071 0.000 2.229 301 A HA 0.353 4.673 4.320 -0.000 0.000 0.211 301 A C 1.667 179.197 177.584 -0.089 0.000 1.193 301 A CA 0.015 52.008 52.037 -0.072 0.000 0.879 301 A CB -0.060 18.916 19.000 -0.040 0.000 0.911 301 A HN 0.356 nan 8.150 nan 0.000 0.492 302 I N -0.607 119.902 120.570 -0.102 0.000 2.270 302 I HA -0.077 4.093 4.170 -0.000 0.000 0.239 302 I C 2.291 178.312 176.117 -0.160 0.000 1.080 302 I CA 1.054 62.289 61.300 -0.108 0.000 1.383 302 I CB -0.347 37.596 38.000 -0.096 0.000 1.097 302 I HN 0.074 nan 8.210 nan 0.000 0.420 303 V N 0.934 120.708 119.914 -0.233 0.000 2.688 303 V HA -0.285 3.835 4.120 -0.000 0.000 0.256 303 V C 2.407 178.241 176.094 -0.433 0.000 1.084 303 V CA 1.823 63.871 62.300 -0.420 0.000 1.103 303 V CB -0.816 30.581 31.823 -0.710 0.000 0.688 303 V HN 0.477 nan 8.190 nan 0.000 0.480 304 E N 1.821 121.846 120.200 -0.292 0.000 2.005 304 E HA -0.232 4.118 4.350 -0.000 0.000 0.198 304 E C 2.233 178.740 176.600 -0.154 0.000 1.010 304 E CA 1.779 58.049 56.400 -0.216 0.000 0.825 304 E CB -0.282 29.338 29.700 -0.134 0.000 0.769 304 E HN 0.594 nan 8.360 nan 0.000 0.456 305 R N 0.363 120.796 120.500 -0.113 0.000 2.317 305 R HA 0.097 4.437 4.340 -0.000 0.000 0.208 305 R C 1.683 177.941 176.300 -0.070 0.000 0.914 305 R CA 0.147 56.202 56.100 -0.076 0.000 1.060 305 R CB -0.327 29.941 30.300 -0.054 0.000 1.015 305 R HN 0.246 nan 8.270 nan 0.000 0.498 306 L N 1.410 122.576 121.223 -0.096 0.000 2.395 306 L HA 0.025 4.365 4.340 -0.000 0.000 0.218 306 L C 1.936 178.773 176.870 -0.055 0.000 1.130 306 L CA 1.523 56.319 54.840 -0.074 0.000 0.826 306 L CB -0.025 41.977 42.059 -0.095 0.000 0.941 306 L HN 0.067 nan 8.230 nan 0.000 0.451 307 E N -0.745 119.412 120.200 -0.072 0.000 2.132 307 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 307 E C 1.759 178.354 176.600 -0.009 0.000 0.951 307 E CA 0.629 57.015 56.400 -0.023 0.000 0.843 307 E CB -0.145 29.542 29.700 -0.022 0.000 0.807 307 E HN 0.659 nan 8.360 nan 0.000 0.467 308 Q N 0.388 120.173 119.800 -0.025 0.000 2.541 308 Q HA 0.029 4.369 4.340 -0.000 0.000 0.215 308 Q C 1.388 177.380 176.000 -0.014 0.000 0.977 308 Q CA 1.113 56.907 55.803 -0.015 0.000 0.934 308 Q CB -0.044 28.682 28.738 -0.020 0.000 0.988 308 Q HN 0.099 nan 8.270 nan 0.000 0.521 309 G N 1.179 109.969 108.800 -0.016 0.000 2.673 309 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.208 309 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.208 309 G C 1.448 176.345 174.900 -0.004 0.000 1.128 309 G CA 0.109 45.202 45.100 -0.012 0.000 0.805 309 G HN 0.291 nan 8.290 nan 0.000 0.526 310 R N 0.779 121.280 120.500 0.001 0.000 2.066 310 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 310 R C 2.383 178.687 176.300 0.007 0.000 1.131 310 R CA 1.524 57.630 56.100 0.009 0.000 0.955 310 R CB -0.313 30.000 30.300 0.022 0.000 0.851 310 R HN 0.349 nan 8.270 nan 0.000 0.432 311 I N 0.010 120.584 120.570 0.007 0.000 3.001 311 I HA -0.001 4.169 4.170 -0.000 0.000 0.268 311 I C 1.614 177.729 176.117 -0.002 0.000 1.267 311 I CA 1.516 62.817 61.300 0.002 0.000 1.472 311 I CB -1.042 36.959 38.000 0.001 0.000 1.089 311 I HN 0.205 nan 8.210 nan 0.000 0.468 312 A N 1.457 124.275 122.820 -0.002 0.000 1.854 312 A HA -0.186 4.134 4.320 -0.000 0.000 0.214 312 A C 2.221 179.805 177.584 -0.001 0.000 1.192 312 A CA 1.557 53.592 52.037 -0.004 0.000 0.611 312 A CB -0.655 18.342 19.000 -0.005 0.000 0.832 312 A HN 0.482 nan 8.150 nan 0.000 0.442 313 E N 0.412 120.613 120.200 0.001 0.000 2.023 313 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 313 E C 1.919 178.522 176.600 0.005 0.000 1.003 313 E CA 1.466 57.869 56.400 0.004 0.000 0.809 313 E CB -0.438 29.266 29.700 0.006 0.000 0.755 313 E HN 0.518 nan 8.360 nan 0.000 0.449 314 L N 0.138 121.364 121.223 0.005 0.000 2.021 314 L HA -0.229 4.111 4.340 -0.000 0.000 0.215 314 L C 2.531 179.403 176.870 0.002 0.000 1.074 314 L CA 1.105 55.948 54.840 0.005 0.000 0.760 314 L CB -0.705 41.354 42.059 0.001 0.000 0.889 314 L HN 0.332 nan 8.230 nan 0.000 0.433 315 L N -0.258 120.964 121.223 -0.002 0.000 2.201 315 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 315 L C 2.682 179.551 176.870 -0.002 0.000 1.105 315 L CA 1.421 56.258 54.840 -0.006 0.000 0.775 315 L CB -0.720 41.333 42.059 -0.009 0.000 0.913 315 L HN 0.349 nan 8.230 nan 0.000 0.440 316 R N -0.338 120.163 120.500 0.001 0.000 2.052 316 R HA -0.095 4.245 4.340 -0.000 0.000 0.226 316 R C 2.176 178.480 176.300 0.008 0.000 1.145 316 R CA 1.539 57.640 56.100 0.003 0.000 0.952 316 R CB -0.155 30.146 30.300 0.003 0.000 0.847 316 R HN 0.300 nan 8.270 nan 0.000 0.431 317 V N -0.518 119.403 119.914 0.012 0.000 2.982 317 V HA -0.132 3.988 4.120 -0.000 0.000 0.265 317 V C 1.625 177.733 176.094 0.025 0.000 1.122 317 V CA 1.981 64.293 62.300 0.020 0.000 1.143 317 V CB -0.062 31.775 31.823 0.024 0.000 0.726 317 V HN 0.190 nan 8.190 nan 0.000 0.507 318 S N 1.657 117.369 115.700 0.019 0.000 2.325 318 S HA -0.130 4.340 4.470 -0.000 0.000 0.214 318 S C 2.099 176.709 174.600 0.016 0.000 1.031 318 S CA 1.918 60.130 58.200 0.021 0.000 0.972 318 S CB -0.591 62.614 63.200 0.008 0.000 0.908 318 S HN 0.945 nan 8.310 nan 0.000 0.453 319 T N 0.256 114.814 114.554 0.006 0.000 3.007 319 T HA -0.018 4.332 4.350 -0.000 0.000 0.270 319 T C 1.523 176.224 174.700 0.002 0.000 1.107 319 T CA 1.504 63.605 62.100 0.001 0.000 1.118 319 T CB -0.204 68.661 68.868 -0.004 0.000 0.889 319 T HN 0.294 nan 8.240 nan 0.000 0.506 320 E N 2.175 122.379 120.200 0.007 0.000 2.158 320 E HA -0.037 4.313 4.350 -0.000 0.000 0.191 320 E C 2.219 178.824 176.600 0.009 0.000 0.982 320 E CA 0.725 57.129 56.400 0.006 0.000 0.823 320 E CB -0.168 29.537 29.700 0.009 0.000 0.766 320 E HN 0.739 nan 8.360 nan 0.000 0.468 321 R N -0.481 120.030 120.500 0.019 0.000 2.393 321 R HA 0.241 4.581 4.340 -0.000 0.000 0.244 321 R C 1.401 177.712 176.300 0.019 0.000 0.920 321 R CA -0.127 55.989 56.100 0.026 0.000 1.076 321 R CB 0.167 30.497 30.300 0.049 0.000 1.119 321 R HN -0.015 nan 8.270 nan 0.000 0.524 322 R N 0.209 120.715 120.500 0.010 0.000 2.189 322 R HA 0.145 4.484 4.340 -0.000 0.000 0.203 322 R C 2.077 178.367 176.300 -0.016 0.000 1.012 322 R CA 0.236 56.334 56.100 -0.003 0.000 1.015 322 R CB 0.001 30.299 30.300 -0.003 0.000 0.938 322 R HN 0.210 nan 8.270 nan 0.000 0.472 323 L N 0.562 121.777 121.223 -0.013 0.000 2.027 323 L HA -0.060 4.280 4.340 -0.000 0.000 0.206 323 L C 2.013 178.867 176.870 -0.026 0.000 1.074 323 L CA 1.365 56.194 54.840 -0.018 0.000 0.745 323 L CB -0.254 41.797 42.059 -0.014 0.000 0.898 323 L HN 0.128 nan 8.230 nan 0.000 0.433 324 A N -0.768 122.036 122.820 -0.026 0.000 2.239 324 A HA -0.077 4.243 4.320 -0.000 0.000 0.209 324 A C 1.913 179.465 177.584 -0.055 0.000 1.171 324 A CA 0.636 52.646 52.037 -0.044 0.000 0.768 324 A CB -0.453 18.520 19.000 -0.046 0.000 0.790 324 A HN 0.494 nan 8.150 nan 0.000 0.478 325 L N -2.004 119.194 121.223 -0.041 0.000 2.463 325 L HA 0.261 4.601 4.340 -0.000 0.000 0.219 325 L C 2.080 178.917 176.870 -0.055 0.000 1.088 325 L CA 1.505 56.316 54.840 -0.048 0.000 0.849 325 L CB -0.305 41.730 42.059 -0.041 0.000 1.012 325 L HN 0.369 nan 8.230 nan 0.000 0.468 326 A N -0.309 122.483 122.820 -0.048 0.000 2.063 326 A HA -0.027 4.293 4.320 -0.000 0.000 0.211 326 A C 2.197 179.757 177.584 -0.040 0.000 1.177 326 A CA 0.094 52.104 52.037 -0.046 0.000 0.759 326 A CB -0.352 18.624 19.000 -0.040 0.000 0.857 326 A HN 0.305 nan 8.150 nan 0.000 0.468 327 R N 0.246 120.721 120.500 -0.041 0.000 2.193 327 R HA -0.010 4.330 4.340 -0.000 0.000 0.229 327 R C 1.524 177.797 176.300 -0.045 0.000 1.110 327 R CA 1.574 57.650 56.100 -0.040 0.000 0.988 327 R CB -0.264 30.010 30.300 -0.043 0.000 0.871 327 R HN 0.482 nan 8.270 nan 0.000 0.458 328 R N -1.305 119.164 120.500 -0.051 0.000 2.446 328 R HA 0.233 4.573 4.340 -0.000 0.000 0.254 328 R C 1.235 177.513 176.300 -0.037 0.000 0.918 328 R CA 0.617 56.685 56.100 -0.053 0.000 1.069 328 R CB 0.535 30.789 30.300 -0.077 0.000 1.194 328 R HN 0.198 nan 8.270 nan 0.000 0.534 329 A N -0.129 122.668 122.820 -0.038 0.000 2.167 329 A HA 0.170 4.490 4.320 -0.000 0.000 0.208 329 A C 1.629 179.198 177.584 -0.025 0.000 1.198 329 A CA -0.063 51.954 52.037 -0.034 0.000 0.863 329 A CB 0.206 19.174 19.000 -0.054 0.000 0.904 329 A HN 0.123 nan 8.150 nan 0.000 0.484 330 R N 0.012 120.497 120.500 -0.025 0.000 2.173 330 R HA 0.013 4.353 4.340 -0.000 0.000 0.208 330 R C 0.824 177.116 176.300 -0.013 0.000 1.035 330 R CA 0.981 57.069 56.100 -0.019 0.000 1.004 330 R CB -0.110 30.178 30.300 -0.020 0.000 0.917 330 R HN 0.308 nan 8.270 nan 0.000 0.462 331 D N 0.751 121.142 120.400 -0.014 0.000 2.117 331 D HA -0.083 4.557 4.640 -0.000 0.000 0.198 331 D C 1.578 177.875 176.300 -0.005 0.000 0.982 331 D CA 1.590 55.584 54.000 -0.011 0.000 0.828 331 D CB 0.118 40.910 40.800 -0.014 0.000 0.967 331 D HN 0.260 nan 8.370 nan 0.000 0.464 332 A N -0.555 122.264 122.820 -0.002 0.000 1.969 332 A HA 0.118 4.438 4.320 -0.000 0.000 0.205 332 A C 0.551 178.141 177.584 0.010 0.000 1.364 332 A CA 0.821 52.861 52.037 0.006 0.000 0.756 332 A CB 0.503 19.510 19.000 0.012 0.000 0.988 332 A HN 0.029 nan 8.150 nan 0.000 0.490 333 D N -0.254 120.152 120.400 0.011 0.000 2.988 333 D HA -0.101 4.539 4.640 -0.000 0.000 0.221 333 D C -1.227 175.100 176.300 0.045 0.000 1.122 333 D CA 0.745 54.755 54.000 0.017 0.000 0.821 333 D CB -1.354 39.453 40.800 0.012 0.000 1.098 333 D HN 0.322 nan 8.370 nan 0.000 0.433 334 D N 0.110 120.546 120.400 0.060 0.000 2.381 334 D HA 0.329 4.969 4.640 -0.000 0.000 0.235 334 D C 1.615 177.987 176.300 0.120 0.000 1.068 334 D CA -0.542 53.534 54.000 0.127 0.000 0.832 334 D CB 1.140 42.022 40.800 0.136 0.000 1.101 334 D HN 0.113 nan 8.370 nan 0.000 0.515 335 L N 2.119 123.407 121.223 0.109 0.000 2.056 335 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 335 L C 1.937 178.795 176.870 -0.020 0.000 1.078 335 L CA 0.878 55.696 54.840 -0.037 0.000 0.749 335 L CB -0.306 41.640 42.059 -0.188 0.000 0.901 335 L HN 0.381 nan 8.230 nan 0.000 0.433 336 F N 0.485 120.438 119.950 0.005 0.000 2.115 336 F HA -0.213 4.313 4.527 -0.000 0.000 0.300 336 F C 2.523 178.331 175.800 0.014 0.000 1.092 336 F CA 1.530 59.540 58.000 0.016 0.000 1.245 336 F CB -1.467 37.550 39.000 0.027 0.000 0.995 336 F HN 0.048 nan 8.300 nan 0.000 0.481 337 G N -0.661 108.269 108.800 0.216 0.000 2.421 337 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.216 337 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.216 337 G C 1.883 176.838 174.900 0.090 0.000 1.171 337 G CA 0.924 46.100 45.100 0.127 0.000 0.775 337 G HN 0.488 nan 8.290 nan 0.000 0.543 338 A N 0.645 123.497 122.820 0.052 0.000 1.855 338 A HA 0.138 4.457 4.320 -0.000 0.000 0.215 338 A C 2.432 180.031 177.584 0.025 0.000 1.191 338 A CA 1.206 53.254 52.037 0.017 0.000 0.613 338 A CB -0.499 18.486 19.000 -0.024 0.000 0.829 338 A HN 0.321 nan 8.150 nan 0.000 0.442 339 L N -0.807 120.405 121.223 -0.019 0.000 2.127 339 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 339 L C 2.822 179.690 176.870 -0.005 0.000 1.089 339 L CA 1.107 55.914 54.840 -0.056 0.000 0.757 339 L CB -0.489 41.479 42.059 -0.151 0.000 0.899 339 L HN 0.469 nan 8.230 nan 0.000 0.434 340 A N -2.134 120.715 122.820 0.048 0.000 2.169 340 A HA -0.088 4.232 4.320 -0.000 0.000 0.212 340 A C 1.084 178.716 177.584 0.079 0.000 1.153 340 A CA -0.120 51.954 52.037 0.062 0.000 0.756 340 A CB -0.697 18.358 19.000 0.092 0.000 0.813 340 A HN 0.406 nan 8.150 nan 0.000 0.471 341 H N 0.710 119.788 119.070 0.012 0.000 3.115 341 H HA -0.027 4.529 4.556 -0.000 0.000 0.324 341 H C -1.617 173.723 175.328 0.020 0.000 1.007 341 H CA -0.493 55.564 56.048 0.016 0.000 1.385 341 H CB 0.893 30.661 29.762 0.010 0.000 1.351 341 H HN 0.052 nan 8.280 nan 0.000 0.592 342 P HA -0.127 nan 4.420 nan 0.000 0.216 342 P C 0.415 177.554 177.300 -0.268 0.000 1.150 342 P CA 1.418 64.310 63.100 -0.346 0.000 0.837 342 P CB 0.374 31.866 31.700 -0.346 0.000 0.786 343 D N -2.441 117.725 120.400 -0.390 0.000 2.454 343 D HA 0.014 4.654 4.640 -0.000 0.000 0.219 343 D C 0.482 176.838 176.300 0.093 0.000 1.081 343 D CA 0.564 54.520 54.000 -0.074 0.000 0.867 343 D CB -0.093 40.697 40.800 -0.017 0.000 1.054 343 D HN 0.090 nan 8.370 nan 0.000 0.500 344 D N 0.065 120.625 120.400 0.267 0.000 2.431 344 D HA 0.193 4.833 4.640 -0.000 0.000 0.213 344 D C 1.064 177.460 176.300 0.160 0.000 1.130 344 D CA -0.030 54.110 54.000 0.233 0.000 0.834 344 D CB 0.708 41.653 40.800 0.242 0.000 0.985 344 D HN 0.009 nan 8.370 nan 0.000 0.504 345 G N 0.730 109.605 108.800 0.126 0.000 2.621 345 G HA2 0.294 4.254 3.960 -0.000 0.000 0.271 345 G HA3 0.294 4.254 3.960 -0.000 0.000 0.271 345 G C 1.425 176.345 174.900 0.033 0.000 1.236 345 G CA -0.534 44.606 45.100 0.067 0.000 0.958 345 G HN 0.186 nan 8.290 nan 0.000 0.512 346 I N -2.076 118.456 120.570 -0.065 0.000 2.226 346 I HA -0.055 4.115 4.170 -0.000 0.000 0.245 346 I C 2.525 178.596 176.117 -0.075 0.000 1.100 346 I CA 1.617 62.799 61.300 -0.196 0.000 1.374 346 I CB -0.456 37.194 38.000 -0.582 0.000 1.057 346 I HN 0.326 nan 8.210 nan 0.000 0.413 347 A N 0.849 123.642 122.820 -0.044 0.000 2.225 347 A HA 0.219 4.539 4.320 -0.000 0.000 0.215 347 A C 2.248 179.925 177.584 0.155 0.000 1.164 347 A CA 1.592 53.671 52.037 0.071 0.000 0.710 347 A CB -0.636 18.398 19.000 0.055 0.000 0.780 347 A HN 0.673 nan 8.150 nan 0.000 0.473 348 A N -1.524 121.385 122.820 0.149 0.000 2.287 348 A HA 0.450 4.769 4.320 -0.000 0.000 0.214 348 A C 1.762 179.450 177.584 0.173 0.000 1.228 348 A CA 0.108 52.230 52.037 0.141 0.000 0.939 348 A CB -0.128 18.925 19.000 0.089 0.000 0.992 348 A HN 0.338 nan 8.150 nan 0.000 0.502 349 L N -0.133 121.239 121.223 0.248 0.000 1.955 349 L HA -0.004 4.336 4.340 -0.000 0.000 0.213 349 L C 0.239 177.223 176.870 0.190 0.000 1.072 349 L CA 1.345 56.330 54.840 0.242 0.000 0.755 349 L CB -0.153 42.128 42.059 0.370 0.000 0.888 349 L HN 0.273 nan 8.230 nan 0.000 0.432 350 I N -0.305 120.432 120.570 0.278 0.000 2.389 350 I HA 0.244 4.414 4.170 -0.000 0.000 0.288 350 I C -2.247 173.998 176.117 0.214 0.000 0.999 350 I CA -2.133 59.219 61.300 0.087 0.000 1.129 350 I CB 1.632 39.427 38.000 -0.341 0.000 1.288 350 I HN -0.157 nan 8.210 nan 0.000 0.444 351 P HA -0.039 nan 4.420 nan 0.000 0.256 351 P C -0.850 176.537 177.300 0.145 0.000 1.173 351 P CA 0.014 63.182 63.100 0.113 0.000 0.768 351 P CB 0.019 31.740 31.700 0.035 0.000 0.758 352 C N 1.021 120.434 119.300 0.189 0.000 3.318 352 C HA 0.438 4.898 4.460 -0.000 0.000 0.322 352 C C 0.566 175.667 174.990 0.184 0.000 1.398 352 C CA -0.681 58.466 59.018 0.216 0.000 1.339 352 C CB 1.744 29.712 27.740 0.381 0.000 1.668 352 C HN 0.388 nan 8.230 nan 0.000 0.462 353 D N 0.453 120.969 120.400 0.194 0.000 2.340 353 D HA 0.434 5.074 4.640 -0.000 0.000 0.217 353 D C 0.759 177.247 176.300 0.313 0.000 1.081 353 D CA 1.339 55.486 54.000 0.245 0.000 0.842 353 D CB 0.808 41.781 40.800 0.289 0.000 0.934 353 D HN 1.150 nan 8.370 nan 0.000 0.511 354 G N -0.303 108.606 108.800 0.181 0.000 2.321 354 G HA2 0.499 4.459 3.960 -0.000 0.000 0.298 354 G HA3 0.499 4.459 3.960 -0.000 0.000 0.298 354 G C -1.852 172.967 174.900 -0.134 0.000 1.385 354 G CA -0.131 45.001 45.100 0.054 0.000 0.856 354 G HN 0.211 nan 8.290 nan 0.000 0.584 355 A N -0.805 121.933 122.820 -0.136 0.000 2.588 355 A HA 0.984 5.304 4.320 -0.000 0.000 0.290 355 A C -1.923 175.684 177.584 0.038 0.000 1.136 355 A CA -0.680 51.297 52.037 -0.100 0.000 0.681 355 A CB 2.107 20.997 19.000 -0.182 0.000 1.282 355 A HN 2.118 nan 8.150 nan 0.000 0.421 356 L N 0.561 121.811 121.223 0.045 0.000 2.549 356 L HA 0.665 5.005 4.340 -0.000 0.000 0.259 356 L C -1.781 175.179 176.870 0.150 0.000 0.934 356 L CA -0.334 54.597 54.840 0.151 0.000 0.865 356 L CB 1.681 43.860 42.059 0.201 0.000 1.352 356 L HN 0.644 nan 8.230 nan 0.000 0.410 357 V N 5.005 125.000 119.914 0.135 0.000 2.487 357 V HA 0.597 4.717 4.120 -0.000 0.000 0.298 357 V C -0.018 176.198 176.094 0.203 0.000 1.028 357 V CA -0.461 61.900 62.300 0.103 0.000 0.860 357 V CB 1.901 33.649 31.823 -0.124 0.000 0.991 357 V HN 0.744 nan 8.190 nan 0.000 0.427 358 M N 5.801 125.561 119.600 0.267 0.000 2.142 358 M HA 0.618 5.098 4.480 -0.000 0.000 0.299 358 M C -1.803 174.631 176.300 0.224 0.000 0.960 358 M CA -0.547 54.928 55.300 0.291 0.000 0.920 358 M CB 2.010 34.836 32.600 0.376 0.000 1.541 358 M HN 0.504 nan 8.290 nan 0.000 0.429 359 L N 2.418 123.806 121.223 0.274 0.000 2.472 359 L HA 0.830 5.170 4.340 -0.000 0.000 0.260 359 L C 0.471 177.482 176.870 0.236 0.000 0.963 359 L CA 0.781 55.753 54.840 0.219 0.000 0.829 359 L CB 1.834 44.054 42.059 0.269 0.000 1.348 359 L HN 0.883 nan 8.230 nan 0.000 0.408 360 G N 3.335 112.228 108.800 0.155 0.000 2.685 360 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.329 360 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.329 360 G C 0.662 175.638 174.900 0.127 0.000 1.271 360 G CA 0.690 45.865 45.100 0.125 0.000 1.003 360 G HN 1.601 nan 8.290 nan 0.000 0.549 361 G N -0.530 108.335 108.800 0.108 0.000 2.850 361 G HA2 0.343 4.303 3.960 -0.000 0.000 0.211 361 G HA3 0.343 4.303 3.960 -0.000 0.000 0.211 361 G C 0.838 175.804 174.900 0.110 0.000 1.124 361 G CA 0.590 45.747 45.100 0.096 0.000 0.769 361 G HN 0.662 nan 8.290 nan 0.000 0.535 362 R N 1.840 122.410 120.500 0.117 0.000 2.483 362 R HA 0.209 4.549 4.340 -0.000 0.000 0.329 362 R C -0.426 176.021 176.300 0.244 0.000 0.961 362 R CA 0.315 56.469 56.100 0.089 0.000 1.041 362 R CB 0.056 30.308 30.300 -0.081 0.000 0.930 362 R HN 0.022 nan 8.270 nan 0.000 0.413 363 T N 4.506 119.161 114.554 0.167 0.000 2.799 363 T HA 0.291 4.641 4.350 -0.000 0.000 0.286 363 T C -0.203 174.633 174.700 0.226 0.000 0.973 363 T CA -0.495 61.727 62.100 0.203 0.000 1.035 363 T CB 0.997 69.923 68.868 0.096 0.000 0.932 363 T HN 0.304 nan 8.240 nan 0.000 0.469 364 L N 3.137 124.546 121.223 0.310 0.000 2.316 364 L HA 0.511 4.851 4.340 -0.000 0.000 0.280 364 L C -0.149 176.825 176.870 0.174 0.000 1.006 364 L CA -0.502 54.494 54.840 0.261 0.000 0.836 364 L CB 1.552 43.863 42.059 0.420 0.000 1.221 364 L HN 0.620 nan 8.230 nan 0.000 0.418 365 S N 6.611 122.395 115.700 0.140 0.000 2.448 365 S HA 0.552 5.022 4.470 -0.000 0.000 0.320 365 S C -0.350 174.355 174.600 0.175 0.000 1.071 365 S CA -0.784 57.518 58.200 0.170 0.000 1.113 365 S CB 0.265 63.550 63.200 0.143 0.000 0.972 365 S HN 0.496 nan 8.310 nan 0.000 0.465 366 I N 2.604 123.292 120.570 0.196 0.000 2.392 366 I HA 0.595 4.764 4.170 -0.000 0.000 0.295 366 I C 0.813 177.084 176.117 0.257 0.000 0.985 366 I CA -0.995 60.404 61.300 0.165 0.000 1.221 366 I CB 1.159 39.217 38.000 0.095 0.000 1.366 366 I HN 0.854 nan 8.210 nan 0.000 0.467 367 R N 2.141 122.756 120.500 0.190 0.000 3.840 367 R HA -0.132 4.208 4.340 -0.000 0.000 0.464 367 R C 0.354 176.774 176.300 0.200 0.000 0.986 367 R CA 0.971 57.197 56.100 0.210 0.000 1.305 367 R CB -1.603 28.849 30.300 0.253 0.000 1.950 367 R HN 1.143 nan 8.270 nan 0.000 0.526 368 G N -0.693 108.171 108.800 0.105 0.000 2.488 368 G HA2 0.303 4.263 3.960 -0.000 0.000 0.301 368 G HA3 0.303 4.263 3.960 -0.000 0.000 0.301 368 G C -2.065 172.547 174.900 -0.480 0.000 1.339 368 G CA -0.418 44.450 45.100 -0.388 0.000 0.803 368 G HN 0.003 nan 8.290 nan 0.000 0.482 369 D N 0.009 120.014 120.400 -0.659 0.000 2.499 369 D HA 0.479 5.119 4.640 -0.000 0.000 0.225 369 D C 0.064 176.005 176.300 -0.598 0.000 1.124 369 D CA -0.553 53.185 54.000 -0.437 0.000 0.938 369 D CB -0.023 40.605 40.800 -0.286 0.000 1.014 369 D HN 0.163 nan 8.370 nan 0.000 0.517 370 F N 0.815 120.610 119.950 -0.259 0.000 2.695 370 F HA 0.185 4.712 4.527 -0.000 0.000 0.303 370 F C 1.899 177.449 175.800 -0.418 0.000 1.091 370 F CA -0.204 57.502 58.000 -0.491 0.000 1.300 370 F CB 0.390 38.961 39.000 -0.715 0.000 1.071 370 F HN 0.254 nan 8.300 nan 0.000 0.578 371 E N 0.379 120.494 120.200 -0.141 0.000 2.072 371 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 371 E C 2.144 178.659 176.600 -0.142 0.000 0.985 371 E CA 0.591 56.913 56.400 -0.130 0.000 0.801 371 E CB -0.130 29.521 29.700 -0.082 0.000 0.750 371 E HN 0.259 nan 8.360 nan 0.000 0.452 372 R N 1.010 121.430 120.500 -0.133 0.000 2.083 372 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 372 R C 2.361 178.593 176.300 -0.114 0.000 1.137 372 R CA 1.717 57.758 56.100 -0.099 0.000 0.951 372 R CB -0.443 29.809 30.300 -0.080 0.000 0.851 372 R HN 0.285 nan 8.270 nan 0.000 0.434 373 Q N -0.226 119.461 119.800 -0.188 0.000 1.967 373 Q HA -0.095 4.244 4.340 -0.000 0.000 0.202 373 Q C 1.930 177.764 176.000 -0.276 0.000 0.985 373 Q CA 1.984 57.630 55.803 -0.261 0.000 0.839 373 Q CB -0.253 28.254 28.738 -0.385 0.000 0.906 373 Q HN 0.357 nan 8.270 nan 0.000 0.423 374 A N 0.146 122.774 122.820 -0.320 0.000 2.139 374 A HA -0.149 4.171 4.320 -0.000 0.000 0.221 374 A C 2.037 179.381 177.584 -0.401 0.000 1.159 374 A CA 1.643 53.345 52.037 -0.558 0.000 0.662 374 A CB -1.150 17.277 19.000 -0.955 0.000 0.796 374 A HN 0.640 nan 8.150 nan 0.000 0.463 375 G N -0.061 108.605 108.800 -0.223 0.000 2.404 375 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.214 375 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.214 375 G C 1.426 176.296 174.900 -0.051 0.000 1.189 375 G CA 0.810 45.840 45.100 -0.116 0.000 0.789 375 G HN 0.539 nan 8.290 nan 0.000 0.533 376 N N 0.598 119.302 118.700 0.006 0.000 2.120 376 N HA -0.104 4.636 4.740 -0.000 0.000 0.188 376 N C 2.374 178.017 175.510 0.221 0.000 1.024 376 N CA 1.151 54.298 53.050 0.162 0.000 0.852 376 N CB -0.628 38.077 38.487 0.365 0.000 1.003 376 N HN 0.144 nan 8.380 nan 0.000 0.424 377 V N 1.924 121.892 119.914 0.090 0.000 2.380 377 V HA -0.195 3.924 4.120 -0.000 0.000 0.251 377 V C 2.374 178.416 176.094 -0.087 0.000 1.063 377 V CA 1.198 63.540 62.300 0.069 0.000 1.055 377 V CB -0.501 31.279 31.823 -0.072 0.000 0.657 377 V HN 0.261 nan 8.190 nan 0.000 0.455 378 L N -0.613 120.547 121.223 -0.104 0.000 2.217 378 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 378 L C 2.532 179.321 176.870 -0.135 0.000 1.107 378 L CA 1.570 56.285 54.840 -0.209 0.000 0.783 378 L CB -0.185 41.773 42.059 -0.169 0.000 0.919 378 L HN 0.384 nan 8.230 nan 0.000 0.442 379 Q N -0.290 119.481 119.800 -0.049 0.000 2.172 379 Q HA -0.250 4.090 4.340 -0.000 0.000 0.200 379 Q C 2.290 178.275 176.000 -0.026 0.000 0.964 379 Q CA 1.236 57.028 55.803 -0.019 0.000 0.855 379 Q CB 0.017 28.765 28.738 0.015 0.000 0.918 379 Q HN 0.426 nan 8.270 nan 0.000 0.444 380 R N 0.033 120.519 120.500 -0.024 0.000 2.081 380 R HA -0.102 4.237 4.340 -0.000 0.000 0.235 380 R C 1.989 178.235 176.300 -0.090 0.000 1.131 380 R CA 1.312 57.385 56.100 -0.044 0.000 0.960 380 R CB -0.192 30.096 30.300 -0.021 0.000 0.856 380 R HN 0.317 nan 8.270 nan 0.000 0.436 381 L N 0.890 122.010 121.223 -0.172 0.000 2.362 381 L HA -0.102 4.238 4.340 -0.000 0.000 0.219 381 L C 2.244 179.085 176.870 -0.049 0.000 1.134 381 L CA 0.466 55.213 54.840 -0.154 0.000 0.807 381 L CB -0.331 41.546 42.059 -0.302 0.000 0.927 381 L HN 0.231 nan 8.230 nan 0.000 0.447 382 Q N 0.394 120.170 119.800 -0.040 0.000 2.224 382 Q HA -0.142 4.198 4.340 -0.000 0.000 0.203 382 Q C 2.204 178.209 176.000 0.009 0.000 0.970 382 Q CA 1.301 57.104 55.803 0.000 0.000 0.865 382 Q CB -0.114 28.624 28.738 -0.001 0.000 0.922 382 Q HN 0.507 nan 8.270 nan 0.000 0.445 383 R N 0.292 120.791 120.500 -0.000 0.000 2.200 383 R HA -0.026 4.314 4.340 -0.000 0.000 0.208 383 R C 0.442 176.751 176.300 0.015 0.000 1.033 383 R CA 0.635 56.738 56.100 0.006 0.000 1.000 383 R CB 0.263 30.562 30.300 -0.000 0.000 0.906 383 R HN 0.001 nan 8.270 nan 0.000 0.462 384 D N 0.183 120.593 120.400 0.017 0.000 2.970 384 D HA 0.151 4.791 4.640 -0.000 0.000 0.282 384 D C -1.912 174.422 176.300 0.057 0.000 1.291 384 D CA -2.460 51.560 54.000 0.035 0.000 0.967 384 D CB 0.762 41.584 40.800 0.037 0.000 1.017 384 D HN -0.110 nan 8.370 nan 0.000 0.512 385 P HA -0.140 nan 4.420 nan 0.000 0.213 385 P C 0.911 178.261 177.300 0.082 0.000 1.170 385 P CA 1.064 64.207 63.100 0.072 0.000 0.902 385 P CB 0.255 31.982 31.700 0.045 0.000 0.789 386 E N -1.025 119.208 120.200 0.055 0.000 2.510 386 E HA -0.132 4.218 4.350 -0.000 0.000 0.202 386 E C 0.815 177.451 176.600 0.060 0.000 1.072 386 E CA 0.014 56.439 56.400 0.043 0.000 0.883 386 E CB -0.309 29.407 29.700 0.026 0.000 0.818 386 E HN 0.046 nan 8.360 nan 0.000 0.548 387 R N 1.044 121.604 120.500 0.100 0.000 2.316 387 R HA 0.001 4.341 4.340 -0.000 0.000 0.314 387 R C -0.328 176.084 176.300 0.186 0.000 1.069 387 R CA 0.338 56.517 56.100 0.132 0.000 0.959 387 R CB 0.529 30.921 30.300 0.154 0.000 0.987 387 R HN -0.165 nan 8.270 nan 0.000 0.446 388 D N 3.276 123.744 120.400 0.113 0.000 2.355 388 D HA 0.192 4.831 4.640 -0.000 0.000 0.206 388 D C -0.151 176.229 176.300 0.134 0.000 1.010 388 D CA 0.633 54.661 54.000 0.048 0.000 0.875 388 D CB 0.339 41.113 40.800 -0.043 0.000 0.966 388 D HN 0.435 nan 8.370 nan 0.000 0.512 389 I N 0.381 121.049 120.570 0.163 0.000 2.498 389 I HA 0.336 4.506 4.170 -0.000 0.000 0.290 389 I C -1.405 174.836 176.117 0.208 0.000 1.032 389 I CA -1.213 60.185 61.300 0.164 0.000 1.073 389 I CB 1.916 39.960 38.000 0.073 0.000 1.251 389 I HN -0.170 nan 8.210 nan 0.000 0.426 390 Y N 6.844 127.166 120.300 0.035 0.000 2.477 390 Y HA 0.622 5.172 4.550 -0.000 0.000 0.347 390 Y C -0.997 174.868 175.900 -0.058 0.000 0.981 390 Y CA -0.368 57.714 58.100 -0.031 0.000 1.033 390 Y CB 1.485 39.908 38.460 -0.062 0.000 1.245 390 Y HN 0.641 nan 8.280 nan 0.000 0.455 391 H N 2.439 121.008 119.070 -0.836 0.000 3.094 391 H HA 0.587 5.143 4.556 -0.000 0.000 0.346 391 H C -2.012 172.996 175.328 -0.532 0.000 1.238 391 H CA -0.660 54.973 56.048 -0.692 0.000 1.209 391 H CB 1.902 31.310 29.762 -0.591 0.000 1.911 391 H HN 0.806 nan 8.280 nan 0.000 0.540 392 T N 0.874 115.375 114.554 -0.089 0.000 2.770 392 T HA 0.160 4.510 4.350 -0.000 0.000 0.323 392 T C -1.269 173.621 174.700 0.317 0.000 1.683 392 T CA -0.351 61.790 62.100 0.069 0.000 1.024 392 T CB 1.218 70.066 68.868 -0.034 0.000 1.557 392 T HN 0.735 nan 8.240 nan 0.000 0.494 393 D N 1.720 122.269 120.400 0.249 0.000 2.538 393 D HA 0.207 4.847 4.640 -0.000 0.000 0.231 393 D C -0.138 176.203 176.300 0.068 0.000 1.229 393 D CA -0.277 53.842 54.000 0.198 0.000 0.828 393 D CB 0.082 41.003 40.800 0.202 0.000 1.035 393 D HN 0.432 nan 8.370 nan 0.000 0.495 394 N N 0.279 119.057 118.700 0.130 0.000 2.399 394 N HA 0.423 5.163 4.740 -0.000 0.000 0.280 394 N C -1.444 174.227 175.510 0.269 0.000 1.008 394 N CA -0.491 52.590 53.050 0.052 0.000 0.894 394 N CB 1.759 40.233 38.487 -0.021 0.000 1.273 394 N HN 0.015 nan 8.380 nan 0.000 0.486 409 C N 1.572 120.976 119.300 0.173 0.000 2.780 409 C HA 0.552 5.012 4.460 -0.000 0.000 0.267 409 C C 1.288 176.421 174.990 0.239 0.000 1.266 409 C CA 0.549 59.706 59.018 0.231 0.000 1.709 409 C CB -1.186 26.649 27.740 0.160 0.000 1.975 409 C HN 1.056 nan 8.230 nan 0.000 0.582 410 G N 1.108 110.034 108.800 0.209 0.000 2.319 410 G HA2 0.577 4.537 3.960 -0.000 0.000 0.308 410 G HA3 0.577 4.537 3.960 -0.000 0.000 0.308 410 G C -0.994 174.142 174.900 0.393 0.000 1.117 410 G CA 0.046 45.308 45.100 0.271 0.000 0.903 410 G HN 0.303 nan 8.290 nan 0.000 0.436 411 V N 3.314 123.493 119.914 0.441 0.000 2.841 411 V HA 0.604 4.724 4.120 -0.000 0.000 0.310 411 V C -0.425 175.643 176.094 -0.042 0.000 1.090 411 V CA -0.837 61.548 62.300 0.142 0.000 0.930 411 V CB 2.123 33.984 31.823 0.064 0.000 1.014 411 V HN 0.706 nan 8.190 nan 0.000 0.425 412 L N 3.213 124.219 121.223 -0.361 0.000 2.464 412 L HA 0.925 5.265 4.340 -0.000 0.000 0.266 412 L C -0.675 176.031 176.870 -0.275 0.000 0.965 412 L CA -0.344 54.123 54.840 -0.620 0.000 0.833 412 L CB 1.924 43.077 42.059 -1.510 0.000 1.296 412 L HN 0.848 nan 8.230 nan 0.000 0.405 413 A N 5.755 128.464 122.820 -0.184 0.000 2.435 413 A HA 0.869 5.189 4.320 -0.000 0.000 0.304 413 A C -1.202 176.420 177.584 0.063 0.000 1.064 413 A CA -0.587 51.291 52.037 -0.266 0.000 0.727 413 A CB 1.810 20.439 19.000 -0.618 0.000 1.284 413 A HN 0.716 nan 8.150 nan 0.000 0.415 414 I N -1.149 119.536 120.570 0.191 0.000 2.686 414 I HA 0.746 4.916 4.170 -0.000 0.000 0.295 414 I C -0.759 175.392 176.117 0.056 0.000 1.114 414 I CA -0.774 60.645 61.300 0.199 0.000 1.038 414 I CB 2.144 40.230 38.000 0.144 0.000 1.238 414 I HN 0.698 nan 8.210 nan 0.000 0.420 415 R N 4.764 125.010 120.500 -0.423 0.000 2.343 415 R HA 0.492 4.832 4.340 -0.000 0.000 0.320 415 R C -0.647 175.355 176.300 -0.497 0.000 0.956 415 R CA -0.577 54.850 56.100 -1.122 0.000 0.836 415 R CB 1.153 30.202 30.300 -2.085 0.000 1.151 415 R HN 0.845 nan 8.270 nan 0.000 0.450 416 F N 0.752 120.460 119.950 -0.404 0.000 2.706 416 F HA 0.431 4.958 4.527 -0.000 0.000 0.313 416 F C -0.485 175.262 175.800 -0.088 0.000 1.096 416 F CA -0.624 57.257 58.000 -0.198 0.000 1.219 416 F CB 0.364 39.290 39.000 -0.124 0.000 1.051 416 F HN 0.455 nan 8.300 nan 0.000 0.568 417 H N 0.158 118.839 119.070 -0.648 0.000 3.129 417 H HA 0.406 4.962 4.556 -0.000 0.000 0.342 417 H C 0.145 175.212 175.328 -0.434 0.000 1.092 417 H CA -1.013 54.787 56.048 -0.414 0.000 1.310 417 H CB 1.559 31.119 29.762 -0.337 0.000 1.932 417 H HN 0.028 nan 8.280 nan 0.000 0.507 418 R N 2.106 122.263 120.500 -0.571 0.000 2.102 418 R HA 0.099 4.439 4.340 -0.000 0.000 0.208 418 R C 1.126 177.289 176.300 -0.228 0.000 1.131 418 R CA 0.522 56.410 56.100 -0.353 0.000 1.054 418 R CB 0.243 30.381 30.300 -0.270 0.000 0.954 418 R HN 0.706 nan 8.270 nan 0.000 0.465 419 Q N 0.608 120.237 119.800 -0.285 0.000 2.050 419 Q HA -0.122 4.217 4.340 -0.000 0.000 0.202 419 Q C -0.125 175.868 176.000 -0.013 0.000 0.980 419 Q CA 1.313 57.044 55.803 -0.120 0.000 0.840 419 Q CB 0.075 28.748 28.738 -0.109 0.000 0.898 419 Q HN 0.336 nan 8.270 nan 0.000 0.424 420 E N 1.339 121.586 120.200 0.078 0.000 2.105 420 E HA 0.105 4.455 4.350 -0.000 0.000 0.285 420 E C -0.847 175.826 176.600 0.123 0.000 1.055 420 E CA -0.199 56.323 56.400 0.203 0.000 0.843 420 E CB 1.143 31.049 29.700 0.342 0.000 1.067 420 E HN -0.021 nan 8.360 nan 0.000 0.398 421 S N 3.262 119.006 115.700 0.074 0.000 2.589 421 S HA 0.127 4.597 4.470 -0.000 0.000 0.306 421 S C 0.174 174.749 174.600 -0.043 0.000 1.221 421 S CA -0.195 58.047 58.200 0.069 0.000 1.159 421 S CB -0.244 63.089 63.200 0.221 0.000 0.990 421 S HN 0.587 nan 8.310 nan 0.000 0.514 422 G N 5.127 113.680 108.800 -0.413 0.000 2.744 422 G HA2 0.562 4.522 3.960 -0.000 0.000 0.309 422 G HA3 0.562 4.522 3.960 -0.000 0.000 0.309 422 G C -1.128 173.087 174.900 -1.141 0.000 1.328 422 G CA -0.748 43.786 45.100 -0.944 0.000 1.034 422 G HN 0.685 nan 8.290 nan 0.000 0.518 423 W N 1.197 122.281 121.300 -0.361 0.000 2.975 423 W HA 0.749 5.409 4.660 -0.000 0.000 0.342 423 W C -0.256 176.326 176.519 0.104 0.000 1.168 423 W CA -0.890 56.380 57.345 -0.124 0.000 1.141 423 W CB 2.169 31.604 29.460 -0.042 0.000 1.445 423 W HN 0.168 nan 8.180 nan 0.000 0.560 424 I N 1.851 122.569 120.570 0.246 0.000 2.619 424 I HA 0.419 4.589 4.170 -0.000 0.000 0.292 424 I C -1.402 174.596 176.117 -0.199 0.000 1.100 424 I CA -0.901 60.453 61.300 0.090 0.000 1.043 424 I CB 1.677 39.696 38.000 0.031 0.000 1.239 424 I HN 0.135 nan 8.210 nan 0.000 0.420 425 F N 3.717 123.524 119.950 -0.237 0.000 2.563 425 F HA 0.602 5.129 4.527 -0.000 0.000 0.316 425 F C -1.138 174.313 175.800 -0.582 0.000 1.076 425 F CA -0.627 57.173 58.000 -0.333 0.000 0.921 425 F CB 1.892 40.690 39.000 -0.336 0.000 1.209 425 F HN 0.251 nan 8.300 nan 0.000 0.462 426 W N 2.705 123.725 121.300 -0.466 0.000 2.830 426 W HA 0.667 5.327 4.660 -0.000 0.000 0.335 426 W C -1.888 174.417 176.519 -0.356 0.000 1.043 426 W CA -1.584 55.592 57.345 -0.281 0.000 1.239 426 W CB 0.504 29.920 29.460 -0.074 0.000 1.378 426 W HN 0.134 nan 8.180 nan 0.000 0.456 427 F N 2.843 122.841 119.950 0.081 0.000 2.492 427 F HA 0.739 5.266 4.527 -0.000 0.000 0.327 427 F C 0.740 176.569 175.800 0.048 0.000 1.079 427 F CA -1.248 56.758 58.000 0.010 0.000 0.967 427 F CB 1.650 40.441 39.000 -0.348 0.000 1.169 427 F HN 0.060 nan 8.300 nan 0.000 0.472 428 R N 0.571 121.199 120.500 0.214 0.000 2.807 428 R HA 0.505 4.845 4.340 -0.000 0.000 0.276 428 R C -1.194 175.127 176.300 0.035 0.000 0.979 428 R CA -1.193 54.952 56.100 0.074 0.000 0.928 428 R CB 2.021 32.270 30.300 -0.086 0.000 1.191 428 R HN 0.703 nan 8.270 nan 0.000 0.471 429 H N 0.288 119.437 119.070 0.132 0.000 2.497 429 H HA 0.104 4.660 4.556 -0.000 0.000 0.331 429 H C -0.190 175.185 175.328 0.078 0.000 1.457 429 H CA -0.505 55.615 56.048 0.119 0.000 1.459 429 H CB 0.824 30.651 29.762 0.110 0.000 1.728 429 H HN 0.479 nan 8.280 nan 0.000 0.691 430 E N 1.165 121.512 120.200 0.246 0.000 2.502 430 E HA -0.136 4.214 4.350 -0.000 0.000 0.261 430 E C -0.323 176.346 176.600 0.115 0.000 0.974 430 E CA -0.024 56.455 56.400 0.132 0.000 0.936 430 E CB 0.475 30.232 29.700 0.095 0.000 0.926 430 E HN 0.477 nan 8.360 nan 0.000 0.459 431 E N 2.459 122.710 120.200 0.085 0.000 2.413 431 E HA 0.060 4.410 4.350 -0.000 0.000 0.263 431 E C -1.031 175.660 176.600 0.153 0.000 1.015 431 E CA -0.394 56.072 56.400 0.109 0.000 0.916 431 E CB 0.727 30.497 29.700 0.117 0.000 0.947 431 E HN 0.247 nan 8.360 nan 0.000 0.440 432 V N 3.211 123.240 119.914 0.191 0.000 2.667 432 V HA 0.140 4.260 4.120 -0.000 0.000 0.308 432 V C -0.265 176.034 176.094 0.342 0.000 1.048 432 V CA -0.911 61.526 62.300 0.227 0.000 0.928 432 V CB 1.343 33.249 31.823 0.139 0.000 1.004 432 V HN 0.696 nan 8.190 nan 0.000 0.444 433 H N 3.218 122.467 119.070 0.299 0.000 2.944 433 H HA 0.232 4.788 4.556 -0.000 0.000 0.278 433 H C 1.101 176.488 175.328 0.098 0.000 1.083 433 H CA 0.374 56.581 56.048 0.266 0.000 1.479 433 H CB 0.497 30.498 29.762 0.399 0.000 1.486 433 H HN 0.689 nan 8.280 nan 0.000 0.493 434 R N 5.107 125.478 120.500 -0.215 0.000 2.075 434 R HA -0.025 4.314 4.340 -0.000 0.000 0.230 434 R C 0.309 176.400 176.300 -0.348 0.000 1.140 434 R CA 1.751 57.715 56.100 -0.227 0.000 0.928 434 R CB -0.045 30.151 30.300 -0.173 0.000 0.834 434 R HN 0.687 nan 8.270 nan 0.000 0.429 435 I N -0.556 119.689 120.570 -0.542 0.000 2.378 435 I HA 0.473 4.643 4.170 -0.000 0.000 0.291 435 I C -1.039 174.715 176.117 -0.605 0.000 0.992 435 I CA -1.022 59.972 61.300 -0.510 0.000 1.154 435 I CB 1.971 39.704 38.000 -0.445 0.000 1.315 435 I HN 0.102 nan 8.210 nan 0.000 0.448 436 R N 4.799 125.035 120.500 -0.440 0.000 2.711 436 R HA 0.538 4.878 4.340 -0.000 0.000 0.284 436 R C -1.823 174.275 176.300 -0.336 0.000 0.968 436 R CA -0.550 55.422 56.100 -0.213 0.000 0.924 436 R CB 2.049 32.347 30.300 -0.004 0.000 1.162 436 R HN 0.653 nan 8.270 nan 0.000 0.465 437 W N 0.402 121.696 121.300 -0.011 0.000 2.496 437 W HA 0.624 5.284 4.660 -0.000 0.000 0.327 437 W C 0.401 176.917 176.519 -0.006 0.000 1.086 437 W CA -0.379 56.952 57.345 -0.023 0.000 1.222 437 W CB 2.095 31.531 29.460 -0.040 0.000 1.304 437 W HN 0.627 nan 8.180 nan 0.000 0.547 438 G N 0.093 109.033 108.800 0.232 0.000 2.660 438 G HA2 0.639 4.598 3.960 -0.000 0.000 0.294 438 G HA3 0.639 4.598 3.960 -0.000 0.000 0.294 438 G C -0.145 174.825 174.900 0.116 0.000 1.369 438 G CA 0.027 45.209 45.100 0.136 0.000 0.912 438 G HN 1.163 nan 8.290 nan 0.000 0.479 439 G N 0.319 109.167 108.800 0.080 0.000 2.680 439 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.222 439 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.222 439 G C -0.383 174.543 174.900 0.045 0.000 1.460 439 G CA -0.112 45.023 45.100 0.058 0.000 1.275 439 G HN 0.930 nan 8.290 nan 0.000 0.506 440 K N 2.423 122.844 120.400 0.034 0.000 2.354 440 K HA 0.531 4.851 4.320 -0.000 0.000 0.257 440 K C -2.781 173.821 176.600 0.003 0.000 1.062 440 K CA -1.354 54.943 56.287 0.016 0.000 0.971 440 K CB 1.933 34.437 32.500 0.006 0.000 1.305 440 K HN 0.138 nan 8.250 nan 0.000 0.449 441 P HA 0.038 nan 4.420 nan 0.000 0.263 441 P C -0.849 176.448 177.300 -0.006 0.000 1.601 441 P CA -0.331 62.771 63.100 0.003 0.000 1.161 441 P CB 0.350 32.062 31.700 0.020 0.000 1.730 442 E N 3.665 123.852 120.200 -0.022 0.000 1.856 442 E HA 0.131 4.481 4.350 -0.000 0.000 0.263 442 E C -0.664 175.924 176.600 -0.020 0.000 1.137 442 E CA -0.288 56.099 56.400 -0.022 0.000 1.007 442 E CB -0.256 29.425 29.700 -0.032 0.000 1.117 442 E HN 0.226 nan 8.360 nan 0.000 0.438 443 K N 4.039 124.436 120.400 -0.006 0.000 2.507 443 K HA 0.430 4.750 4.320 -0.000 0.000 0.251 443 K C -0.472 176.130 176.600 0.003 0.000 0.943 443 K CA -0.734 55.553 56.287 0.001 0.000 0.794 443 K CB 1.941 34.448 32.500 0.011 0.000 1.188 443 K HN 0.214 nan 8.250 nan 0.000 0.428 444 L N 1.529 122.754 121.223 0.003 0.000 1.654 444 L HA 0.202 4.542 4.340 -0.000 0.000 0.132 444 L C 0.192 177.063 176.870 0.003 0.000 1.375 444 L CA 0.166 55.008 54.840 0.003 0.000 1.120 444 L CB -0.887 41.173 42.059 0.001 0.000 2.321 444 L HN 0.746 nan 8.230 nan 0.000 0.472 445 L N 0.070 121.293 121.223 0.001 0.000 7.386 445 L HA -0.241 4.099 4.340 -0.000 0.000 0.177 445 L C -0.143 176.724 176.870 -0.005 0.000 1.147 445 L CA 1.447 56.287 54.840 -0.000 0.000 1.322 445 L CB -1.290 40.771 42.059 0.003 0.000 2.710 445 L HN 0.393 nan 8.230 nan 0.000 1.122 446 T N 1.499 116.049 114.554 -0.007 0.000 2.795 446 T HA 0.657 5.007 4.350 -0.000 0.000 0.282 446 T C 0.066 174.757 174.700 -0.016 0.000 0.980 446 T CA -0.543 61.553 62.100 -0.008 0.000 1.012 446 T CB -0.015 68.850 68.868 -0.005 0.000 0.936 446 T HN 0.549 nan 8.240 nan 0.000 0.457 447 I N 4.072 124.632 120.570 -0.018 0.000 2.696 447 I HA 0.316 4.486 4.170 -0.000 0.000 0.284 447 I C 1.434 177.534 176.117 -0.028 0.000 1.129 447 I CA -0.489 60.794 61.300 -0.029 0.000 1.410 447 I CB 0.349 38.333 38.000 -0.026 0.000 1.399 447 I HN 0.704 nan 8.210 nan 0.000 0.579 448 G N 5.429 114.205 108.800 -0.040 0.000 2.528 448 G HA2 0.456 4.416 3.960 -0.000 0.000 0.289 448 G HA3 0.456 4.416 3.960 -0.000 0.000 0.289 448 G C -1.861 173.025 174.900 -0.022 0.000 1.192 448 G CA -0.781 44.301 45.100 -0.030 0.000 0.921 448 G HN 0.466 nan 8.290 nan 0.000 0.512 449 P HA -0.020 nan 4.420 nan 0.000 0.217 449 P C 2.031 179.328 177.300 -0.006 0.000 1.151 449 P CA 0.968 64.064 63.100 -0.006 0.000 0.828 449 P CB 0.288 31.989 31.700 0.001 0.000 0.788 450 S N -1.563 114.132 115.700 -0.008 0.000 2.447 450 S HA 0.239 4.709 4.470 -0.000 0.000 0.233 450 S C 1.146 175.738 174.600 -0.014 0.000 1.006 450 S CA 1.128 59.324 58.200 -0.006 0.000 0.957 450 S CB -0.657 62.543 63.200 0.000 0.000 0.773 450 S HN 0.456 nan 8.310 nan 0.000 0.507 451 G N 0.313 109.098 108.800 -0.025 0.000 2.298 451 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.309 451 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.309 451 G C -2.807 172.064 174.900 -0.049 0.000 1.279 451 G CA -0.398 44.685 45.100 -0.028 0.000 1.042 451 G HN 0.047 nan 8.290 nan 0.000 0.480 452 P HA 0.152 nan 4.420 nan 0.000 0.230 452 P C 1.828 179.084 177.300 -0.074 0.000 1.168 452 P CA 0.330 63.398 63.100 -0.053 0.000 0.793 452 P CB 0.139 31.826 31.700 -0.021 0.000 0.851 453 R N -0.071 120.397 120.500 -0.054 0.000 2.133 453 R HA -0.104 4.236 4.340 -0.000 0.000 0.247 453 R C 1.353 177.585 176.300 -0.113 0.000 1.151 453 R CA 1.178 57.254 56.100 -0.040 0.000 0.971 453 R CB -1.128 29.169 30.300 -0.006 0.000 0.866 453 R HN 0.232 nan 8.270 nan 0.000 0.447 454 L N 0.884 121.972 121.223 -0.225 0.000 2.675 454 L HA -0.020 4.320 4.340 -0.000 0.000 0.239 454 L C 1.009 177.117 176.870 -1.270 0.000 1.151 454 L CA 0.621 55.123 54.840 -0.563 0.000 0.905 454 L CB -0.378 41.476 42.059 -0.341 0.000 1.057 454 L HN 0.128 nan 8.230 nan 0.000 0.435 455 T N -5.867 108.306 114.554 -0.635 0.000 2.945 455 T HA 0.394 4.744 4.350 -0.000 0.000 0.286 455 T C -1.792 172.817 174.700 -0.151 0.000 1.025 455 T CA -2.089 59.735 62.100 -0.460 0.000 1.039 455 T CB 1.812 70.570 68.868 -0.185 0.000 1.068 455 T HN -0.252 nan 8.240 nan 0.000 0.497 456 P HA -0.169 nan 4.420 nan 0.000 0.216 456 P C 1.628 179.038 177.300 0.185 0.000 1.157 456 P CA 1.155 64.340 63.100 0.141 0.000 0.880 456 P CB 0.044 31.826 31.700 0.137 0.000 0.791 457 R N -0.483 120.108 120.500 0.152 0.000 2.092 457 R HA -0.063 4.277 4.340 -0.000 0.000 0.231 457 R C 2.273 178.691 176.300 0.196 0.000 1.119 457 R CA 1.862 58.077 56.100 0.192 0.000 0.970 457 R CB -1.082 29.300 30.300 0.137 0.000 0.864 457 R HN 0.201 nan 8.270 nan 0.000 0.440 458 G N -0.985 107.881 108.800 0.111 0.000 2.464 458 G HA2 -0.126 3.833 3.960 -0.000 0.000 0.217 458 G HA3 -0.126 3.833 3.960 -0.000 0.000 0.217 458 G C 1.352 176.325 174.900 0.122 0.000 1.138 458 G CA 0.267 45.417 45.100 0.082 0.000 0.793 458 G HN 0.253 nan 8.290 nan 0.000 0.539 459 S N -0.111 115.696 115.700 0.179 0.000 2.387 459 S HA -0.008 4.462 4.470 -0.000 0.000 0.226 459 S C 1.812 176.594 174.600 0.304 0.000 1.026 459 S CA 0.616 58.966 58.200 0.250 0.000 0.972 459 S CB -0.246 63.148 63.200 0.324 0.000 0.814 459 S HN 0.407 nan 8.310 nan 0.000 0.477 460 F N 2.488 122.535 119.950 0.162 0.000 2.128 460 F HA 0.045 4.572 4.527 -0.000 0.000 0.295 460 F C 2.068 177.998 175.800 0.216 0.000 1.100 460 F CA 1.297 59.403 58.000 0.176 0.000 1.260 460 F CB -0.452 38.601 39.000 0.089 0.000 1.009 460 F HN 0.145 nan 8.300 nan 0.000 0.476 461 E N 0.000 120.224 120.200 0.040 0.000 2.331 461 E HA -0.170 4.180 4.350 -0.000 0.000 0.199 461 E C 2.081 178.632 176.600 -0.082 0.000 1.008 461 E CA 0.712 57.058 56.400 -0.090 0.000 0.843 461 E CB -0.251 29.467 29.700 0.029 0.000 0.761 461 E HN 0.520 nan 8.360 nan 0.000 0.507 462 A N 0.184 123.009 122.820 0.010 0.000 1.984 462 A HA -0.077 4.243 4.320 -0.000 0.000 0.214 462 A C 1.723 179.320 177.584 0.022 0.000 1.173 462 A CA 0.190 52.241 52.037 0.023 0.000 0.673 462 A CB -0.594 18.453 19.000 0.079 0.000 0.830 462 A HN 0.463 nan 8.150 nan 0.000 0.453 463 W N 1.330 122.552 121.300 -0.130 0.000 2.381 463 W HA -0.099 4.561 4.660 -0.000 0.000 0.301 463 W C 1.741 178.128 176.519 -0.221 0.000 1.205 463 W CA 1.819 59.077 57.345 -0.144 0.000 1.285 463 W CB -0.087 29.307 29.460 -0.109 0.000 1.133 463 W HN 0.444 nan 8.180 nan 0.000 0.521 464 E N 0.302 120.226 120.200 -0.460 0.000 2.021 464 E HA -0.309 4.041 4.350 -0.000 0.000 0.200 464 E C 1.928 178.247 176.600 -0.469 0.000 1.015 464 E CA 2.197 58.216 56.400 -0.635 0.000 0.824 464 E CB -0.578 28.846 29.700 -0.461 0.000 0.762 464 E HN 0.396 nan 8.360 nan 0.000 0.454 465 E N 0.211 120.244 120.200 -0.279 0.000 2.233 465 E HA -0.208 4.142 4.350 -0.000 0.000 0.199 465 E C 2.071 178.552 176.600 -0.198 0.000 1.004 465 E CA 0.989 57.278 56.400 -0.185 0.000 0.819 465 E CB -0.013 29.621 29.700 -0.111 0.000 0.738 465 E HN 0.099 nan 8.360 nan 0.000 0.478 466 V N 0.651 120.395 119.914 -0.283 0.000 2.323 466 V HA -0.159 3.961 4.120 -0.000 0.000 0.244 466 V C 2.096 177.992 176.094 -0.330 0.000 1.041 466 V CA 1.689 63.823 62.300 -0.277 0.000 1.025 466 V CB 0.113 31.772 31.823 -0.274 0.000 0.656 466 V HN 0.291 nan 8.190 nan 0.000 0.451 467 V N -1.938 117.681 119.914 -0.492 0.000 3.444 467 V HA 0.317 4.437 4.120 -0.000 0.000 0.308 467 V C 1.110 177.097 176.094 -0.177 0.000 1.371 467 V CA -0.158 61.923 62.300 -0.364 0.000 1.141 467 V CB -0.683 30.800 31.823 -0.567 0.000 1.037 467 V HN 0.348 nan 8.190 nan 0.000 0.433 468 R N 2.096 122.495 120.500 -0.169 0.000 2.498 468 R HA 0.352 4.692 4.340 -0.000 0.000 0.334 468 R C 1.118 177.420 176.300 0.003 0.000 1.106 468 R CA 1.108 57.152 56.100 -0.092 0.000 0.995 468 R CB -0.508 29.733 30.300 -0.097 0.000 0.989 468 R HN 0.921 nan 8.270 nan 0.000 0.455 469 G N 3.121 111.921 108.800 -0.000 0.000 2.141 469 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.195 469 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.195 469 G C -0.761 174.047 174.900 -0.154 0.000 1.012 469 G CA -0.282 44.795 45.100 -0.039 0.000 0.696 469 G HN 0.752 nan 8.290 nan 0.000 0.508 470 H N 0.216 119.275 119.070 -0.019 0.000 2.600 470 H HA 0.672 5.228 4.556 -0.000 0.000 0.357 470 H C 0.444 175.769 175.328 -0.006 0.000 1.106 470 H CA 0.189 56.233 56.048 -0.008 0.000 1.193 470 H CB 1.779 31.513 29.762 -0.047 0.000 1.594 470 H HN 0.425 nan 8.280 nan 0.000 0.526 471 S N 1.878 117.638 115.700 0.099 0.000 2.672 471 S HA 0.290 4.760 4.470 -0.000 0.000 0.276 471 S C 0.054 174.625 174.600 -0.048 0.000 1.207 471 S CA -0.923 57.283 58.200 0.010 0.000 1.002 471 S CB 1.017 64.185 63.200 -0.052 0.000 0.998 471 S HN 0.575 nan 8.310 nan 0.000 0.542 472 T N 4.072 118.558 114.554 -0.113 0.000 2.933 472 T HA 0.203 4.553 4.350 -0.000 0.000 0.306 472 T C -2.310 172.229 174.700 -0.269 0.000 1.045 472 T CA -0.049 61.965 62.100 -0.142 0.000 1.143 472 T CB -0.303 68.465 68.868 -0.167 0.000 1.003 472 T HN 0.546 nan 8.240 nan 0.000 0.540 473 P HA 0.091 nan 4.420 nan 0.000 0.271 473 P C -0.678 176.482 177.300 -0.233 0.000 1.218 473 P CA -0.436 62.595 63.100 -0.115 0.000 0.780 473 P CB 0.360 32.092 31.700 0.053 0.000 0.901 474 W N 2.235 123.508 121.300 -0.045 0.000 2.605 474 W HA 0.172 4.832 4.660 -0.000 0.000 0.327 474 W C 1.155 177.562 176.519 -0.186 0.000 1.332 474 W CA -0.026 57.227 57.345 -0.153 0.000 1.403 474 W CB -0.183 29.124 29.460 -0.255 0.000 1.452 474 W HN 0.314 nan 8.180 nan 0.000 0.503 475 S N 1.538 117.255 115.700 0.027 0.000 2.596 475 S HA -0.009 4.461 4.470 -0.000 0.000 0.260 475 S C 1.236 175.790 174.600 -0.076 0.000 1.336 475 S CA -0.169 57.999 58.200 -0.055 0.000 0.993 475 S CB 1.309 64.476 63.200 -0.055 0.000 0.923 475 S HN 0.682 nan 8.310 nan 0.000 0.567 476 E N 0.604 120.741 120.200 -0.104 0.000 2.204 476 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 476 E C 1.456 178.005 176.600 -0.085 0.000 0.990 476 E CA 1.648 57.988 56.400 -0.101 0.000 0.821 476 E CB -0.347 29.298 29.700 -0.092 0.000 0.750 476 E HN 0.828 nan 8.360 nan 0.000 0.477 477 T N 0.627 115.139 114.554 -0.070 0.000 2.852 477 T HA -0.080 4.270 4.350 -0.000 0.000 0.256 477 T C 1.041 175.688 174.700 -0.089 0.000 1.038 477 T CA 0.958 63.019 62.100 -0.065 0.000 1.141 477 T CB -0.225 68.617 68.868 -0.043 0.000 0.869 477 T HN 0.167 nan 8.240 nan 0.000 0.439 478 D N 1.355 121.706 120.400 -0.081 0.000 2.315 478 D HA -0.043 4.597 4.640 -0.000 0.000 0.211 478 D C 1.841 178.005 176.300 -0.228 0.000 0.977 478 D CA 0.664 54.594 54.000 -0.117 0.000 0.894 478 D CB -0.111 40.708 40.800 0.031 0.000 0.910 478 D HN 0.344 nan 8.370 nan 0.000 0.490 479 L N -0.062 121.045 121.223 -0.193 0.000 2.221 479 L HA 0.107 4.447 4.340 -0.000 0.000 0.202 479 L C 2.486 179.251 176.870 -0.174 0.000 1.074 479 L CA 0.611 55.308 54.840 -0.238 0.000 0.795 479 L CB -0.482 41.438 42.059 -0.231 0.000 0.960 479 L HN -0.049 nan 8.230 nan 0.000 0.458 480 A N 0.895 123.640 122.820 -0.125 0.000 1.908 480 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 480 A C 2.171 179.702 177.584 -0.088 0.000 1.181 480 A CA 1.568 53.551 52.037 -0.089 0.000 0.627 480 A CB -0.601 18.360 19.000 -0.066 0.000 0.818 480 A HN 0.327 nan 8.150 nan 0.000 0.445 481 I N -0.346 120.160 120.570 -0.106 0.000 2.163 481 I HA -0.242 3.928 4.170 -0.000 0.000 0.240 481 I C 2.845 178.898 176.117 -0.107 0.000 1.081 481 I CA 1.131 62.375 61.300 -0.093 0.000 1.353 481 I CB -0.373 37.564 38.000 -0.105 0.000 1.054 481 I HN 0.328 nan 8.210 nan 0.000 0.407 482 A N -0.322 122.373 122.820 -0.208 0.000 2.172 482 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 482 A C 2.242 179.774 177.584 -0.086 0.000 1.154 482 A CA 1.323 53.235 52.037 -0.208 0.000 0.701 482 A CB -0.354 18.367 19.000 -0.465 0.000 0.789 482 A HN 0.355 nan 8.150 nan 0.000 0.465 483 E N 0.187 120.336 120.200 -0.085 0.000 2.127 483 E HA -0.005 4.345 4.350 -0.000 0.000 0.191 483 E C 1.768 178.351 176.600 -0.029 0.000 0.964 483 E CA 0.720 57.090 56.400 -0.051 0.000 0.832 483 E CB -0.096 29.569 29.700 -0.058 0.000 0.790 483 E HN 0.614 nan 8.360 nan 0.000 0.465 484 K N 0.798 121.180 120.400 -0.031 0.000 2.062 484 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 484 K C 2.168 178.758 176.600 -0.017 0.000 1.051 484 K CA 0.420 56.694 56.287 -0.023 0.000 0.941 484 K CB -0.131 32.355 32.500 -0.023 0.000 0.719 484 K HN 0.119 nan 8.250 nan 0.000 0.440 485 L N 1.779 123.001 121.223 -0.002 0.000 2.042 485 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 485 L C 2.376 179.233 176.870 -0.022 0.000 1.076 485 L CA 1.732 56.577 54.840 0.009 0.000 0.749 485 L CB -0.543 41.574 42.059 0.097 0.000 0.893 485 L HN 0.223 nan 8.230 nan 0.000 0.432 486 R N -0.289 120.217 120.500 0.010 0.000 2.189 486 R HA -0.160 4.180 4.340 -0.000 0.000 0.223 486 R C 2.283 178.583 176.300 0.001 0.000 1.092 486 R CA 1.029 57.142 56.100 0.021 0.000 0.989 486 R CB -0.088 30.240 30.300 0.046 0.000 0.876 486 R HN 0.453 nan 8.270 nan 0.000 0.457 487 L N 0.363 121.577 121.223 -0.014 0.000 2.375 487 L HA -0.015 4.325 4.340 -0.000 0.000 0.215 487 L C 1.005 177.858 176.870 -0.029 0.000 1.108 487 L CA 0.896 55.727 54.840 -0.015 0.000 0.830 487 L CB 0.054 42.103 42.059 -0.016 0.000 0.959 487 L HN 0.069 nan 8.230 nan 0.000 0.457 488 D N -0.136 120.234 120.400 -0.049 0.000 2.149 488 D HA -0.123 4.517 4.640 -0.000 0.000 0.201 488 D C 2.234 178.471 176.300 -0.105 0.000 0.972 488 D CA 1.202 55.162 54.000 -0.068 0.000 0.835 488 D CB 0.092 40.849 40.800 -0.073 0.000 0.966 488 D HN 0.332 nan 8.370 nan 0.000 0.476 489 L N -0.201 120.926 121.223 -0.161 0.000 2.209 489 L HA 0.046 4.385 4.340 -0.000 0.000 0.207 489 L C 2.427 179.256 176.870 -0.069 0.000 1.094 489 L CA 0.402 55.069 54.840 -0.288 0.000 0.790 489 L CB -0.284 41.326 42.059 -0.748 0.000 0.932 489 L HN 0.002 nan 8.230 nan 0.000 0.447 490 M N 0.225 119.845 119.600 0.033 0.000 2.267 490 M HA -0.218 4.262 4.480 -0.000 0.000 0.263 490 M C 2.162 178.500 176.300 0.063 0.000 1.063 490 M CA 1.914 57.273 55.300 0.099 0.000 1.090 490 M CB -0.303 32.332 32.600 0.058 0.000 1.392 490 M HN 0.399 nan 8.290 nan 0.000 0.422 491 E N 0.041 120.250 120.200 0.014 0.000 2.075 491 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 491 E C 1.818 178.416 176.600 -0.003 0.000 0.969 491 E CA 0.576 56.980 56.400 0.006 0.000 0.815 491 E CB -0.573 29.122 29.700 -0.009 0.000 0.776 491 E HN 0.233 nan 8.360 nan 0.000 0.457 492 L N 1.189 122.392 121.223 -0.032 0.000 2.263 492 L HA -0.156 4.184 4.340 -0.000 0.000 0.216 492 L C 2.028 178.880 176.870 -0.030 0.000 1.111 492 L CA 1.084 55.896 54.840 -0.047 0.000 0.773 492 L CB -0.301 41.700 42.059 -0.096 0.000 0.906 492 L HN 0.436 nan 8.230 nan 0.000 0.439 493 C N -1.036 118.262 119.300 -0.003 0.000 2.491 493 C HA 0.049 4.509 4.460 -0.000 0.000 0.277 493 C C 1.549 176.530 174.990 -0.016 0.000 1.455 493 C CA -0.564 58.441 59.018 -0.021 0.000 1.758 493 C CB -1.498 26.230 27.740 -0.019 0.000 1.745 493 C HN 0.229 nan 8.230 nan 0.000 0.558 494 L N 0.000 121.228 121.223 0.008 0.000 2.949 494 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 494 L CA 0.000 54.848 54.840 0.013 0.000 0.813 494 L CB 0.000 42.069 42.059 0.017 0.000 0.961 494 L HN 0.000 nan 8.230 nan 0.000 0.502