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 2hij_1_L DATA FIRST_RESID 5 DATA SEQUENCE VDIcTAKPRD IPMNPMcIYR SPXXXXXXXX XXXXXXXXAT NRRVWELSKA DATA SEQUENCE NSRFATTFYQ HLADSKNDND NIFLSPLSIS TAFAMTKLGA cNDTLQQLME DATA SEQUENCE VFKFDTISEK TSDQIHFFFA KLNcRLYRKA NKSSKLVSAN RLFGDKSLTF DATA SEQUENCE NETYQDISEL VYGAKLQPLD FKENAEQSRA AINKWVSNKT EGRITDVIPS DATA SEQUENCE EAINELTVLV LVNTIYFKGL WKSKFSPENT RKELFYKADG EScSASMMYQ DATA SEQUENCE EGKFRYRRVA EGTQVLELPF KGDDITMVLI LPKPEKSLAK VEKELTPEVL DATA SEQUENCE QEWLDELEEM MLVVHMPRFR IEDGFSLKEQ LQDMGLVDLF SPEKSKLPGI DATA SEQUENCE VAEGRDDLYV SDAFHKAFLE VNEEGSEAAA STAVVIAGRS LNPNRVTXKA DATA SEQUENCE NRPFLVFIRE VPLNTIIFMG RVANPc 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 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.095 176.094 0.002 0.000 1.182 5 V CA 0.000 62.299 62.300 -0.001 0.000 1.235 5 V CB 0.000 31.820 31.823 -0.006 0.000 1.184 6 D N 1.701 122.107 120.400 0.009 0.000 2.356 6 D HA 0.307 4.945 4.640 -0.003 0.000 0.272 6 D C 1.213 177.523 176.300 0.017 0.000 1.337 6 D CA 0.724 54.730 54.000 0.010 0.000 0.970 6 D CB 1.403 42.211 40.800 0.015 0.000 1.092 6 D HN 0.687 nan 8.370 nan 0.000 0.516 7 I N 1.114 121.684 120.570 0.001 0.000 2.700 7 I HA -0.173 3.995 4.170 -0.003 0.000 0.261 7 I C 2.266 178.361 176.117 -0.037 0.000 1.219 7 I CA 1.203 62.499 61.300 -0.006 0.000 1.463 7 I CB -1.040 36.929 38.000 -0.052 0.000 1.092 7 I HN 0.888 nan 8.210 nan 0.000 0.452 8 c N 0.046 118.634 118.600 -0.020 0.000 2.495 8 c HA 0.002 4.570 4.570 -0.003 0.000 0.275 8 c C 2.575 176.670 174.090 0.007 0.000 1.392 8 c CA 1.277 57.594 56.329 -0.021 0.000 1.766 8 c CB -1.397 41.116 42.510 0.004 0.000 1.933 8 c HN 0.687 nan 8.230 nan 0.000 0.519 9 T N 0.520 115.092 114.554 0.031 0.000 3.034 9 T HA 0.267 4.615 4.350 -0.003 0.000 0.248 9 T C 1.229 175.981 174.700 0.086 0.000 1.040 9 T CA 0.669 62.799 62.100 0.050 0.000 1.107 9 T CB -0.183 68.709 68.868 0.040 0.000 0.932 9 T HN 0.522 nan 8.240 nan 0.000 0.474 10 A N 1.817 124.700 122.820 0.105 0.000 2.599 10 A HA 0.473 4.791 4.320 -0.003 0.000 0.240 10 A C 0.628 178.368 177.584 0.259 0.000 1.109 10 A CA 0.455 52.588 52.037 0.159 0.000 0.798 10 A CB -0.249 18.867 19.000 0.193 0.000 1.050 10 A HN 0.571 nan 8.150 nan 0.000 0.518 11 K N 0.422 120.927 120.400 0.175 0.000 2.306 11 K HA 0.683 5.001 4.320 -0.003 0.000 0.236 11 K C -2.074 174.398 176.600 -0.214 0.000 1.013 11 K CA -1.101 55.254 56.287 0.113 0.000 0.857 11 K CB -0.220 32.302 32.500 0.036 0.000 1.214 11 K HN 0.436 nan 8.250 nan 0.000 0.449 12 P HA -0.310 nan 4.420 nan 0.000 0.217 12 P C 1.990 178.985 177.300 -0.509 0.000 1.162 12 P CA 2.937 65.515 63.100 -0.869 0.000 0.901 12 P CB 0.175 31.608 31.700 -0.445 0.000 0.793 13 R N -0.484 119.861 120.500 -0.259 0.000 2.092 13 R HA -0.120 4.218 4.340 -0.003 0.000 0.231 13 R C 2.158 178.385 176.300 -0.121 0.000 1.119 13 R CA 2.619 58.624 56.100 -0.157 0.000 0.970 13 R CB -2.360 27.884 30.300 -0.093 0.000 0.864 13 R HN 0.397 nan 8.270 nan 0.000 0.440 14 D N -0.338 120.006 120.400 -0.093 0.000 2.200 14 D HA 0.128 4.766 4.640 -0.003 0.000 0.192 14 D C 1.192 177.473 176.300 -0.033 0.000 1.008 14 D CA 2.755 56.734 54.000 -0.034 0.000 0.872 14 D CB -0.649 40.164 40.800 0.022 0.000 0.923 14 D HN 1.218 nan 8.370 nan 0.000 0.447 15 I N -0.025 120.512 120.570 -0.056 0.000 2.464 15 I HA 0.568 4.736 4.170 -0.003 0.000 0.277 15 I C -0.907 175.160 176.117 -0.083 0.000 1.040 15 I CA -1.243 60.033 61.300 -0.040 0.000 1.153 15 I CB 1.111 39.122 38.000 0.019 0.000 1.274 15 I HN 0.110 nan 8.210 nan 0.000 0.469 16 P HA -0.205 nan 4.420 nan 0.000 0.213 16 P C 1.253 178.512 177.300 -0.068 0.000 1.170 16 P CA 2.932 65.989 63.100 -0.073 0.000 0.902 16 P CB -0.046 31.623 31.700 -0.052 0.000 0.789 17 M N -1.509 118.057 119.600 -0.057 0.000 3.480 17 M HA -0.132 4.346 4.480 -0.003 0.000 0.163 17 M C 0.276 176.551 176.300 -0.042 0.000 1.420 17 M CA 1.429 56.695 55.300 -0.057 0.000 0.919 17 M CB -3.155 29.404 32.600 -0.069 0.000 1.294 17 M HN 0.561 nan 8.290 nan 0.000 0.559 18 N N 3.102 121.785 118.700 -0.029 0.000 2.485 18 N HA 0.788 5.526 4.740 -0.003 0.000 0.243 18 N C -1.566 173.944 175.510 0.000 0.000 0.987 18 N CA -0.884 52.159 53.050 -0.012 0.000 0.940 18 N CB 0.561 39.041 38.487 -0.012 0.000 1.122 18 N HN 0.881 nan 8.380 nan 0.000 0.509 19 P HA 0.221 nan 4.420 nan 0.000 0.277 19 P C 1.352 178.670 177.300 0.030 0.000 1.276 19 P CA -0.625 62.491 63.100 0.026 0.000 0.788 19 P CB 0.654 32.378 31.700 0.041 0.000 1.114 20 M N -0.497 119.122 119.600 0.032 0.000 2.229 20 M HA -0.021 4.457 4.480 -0.003 0.000 0.264 20 M C -0.575 175.744 176.300 0.032 0.000 1.063 20 M CA 1.660 56.975 55.300 0.025 0.000 1.114 20 M CB 0.043 32.652 32.600 0.016 0.000 1.387 20 M HN 0.218 nan 8.290 nan 0.000 0.420 21 c N 0.106 118.733 118.600 0.045 0.000 2.609 21 c HA 0.664 5.232 4.570 -0.003 0.000 0.313 21 c C -0.336 173.806 174.090 0.086 0.000 1.175 21 c CA -1.239 55.126 56.329 0.060 0.000 1.434 21 c CB 1.373 43.918 42.510 0.058 0.000 2.005 21 c HN 0.177 nan 8.230 nan 0.000 0.471 22 I N 1.897 122.525 120.570 0.096 0.000 2.646 22 I HA 0.589 4.758 4.170 -0.003 0.000 0.299 22 I C -0.684 175.539 176.117 0.176 0.000 1.036 22 I CA -0.755 60.618 61.300 0.122 0.000 1.074 22 I CB 1.583 39.631 38.000 0.080 0.000 1.258 22 I HN 0.832 nan 8.210 nan 0.000 0.430 23 Y N 3.165 123.497 120.300 0.054 0.000 2.485 23 Y HA 0.798 5.346 4.550 -0.003 0.000 0.345 23 Y C 0.045 175.981 175.900 0.059 0.000 0.998 23 Y CA -0.811 57.324 58.100 0.057 0.000 1.059 23 Y CB 1.290 39.790 38.460 0.067 0.000 1.234 23 Y HN 0.807 nan 8.280 nan 0.000 0.461 24 R N 2.497 122.577 120.500 -0.700 0.000 2.494 24 R HA 0.748 5.086 4.340 -0.003 0.000 0.305 24 R C -1.047 174.835 176.300 -0.695 0.000 0.959 24 R CA -0.536 55.276 56.100 -0.480 0.000 0.864 24 R CB 0.907 31.052 30.300 -0.258 0.000 1.159 24 R HN 0.745 nan 8.270 nan 0.000 0.446 25 S N 3.735 119.282 115.700 -0.255 0.000 2.554 25 S HA 0.606 5.074 4.470 -0.003 0.000 0.278 25 S C -1.529 173.047 174.600 -0.041 0.000 1.242 25 S CA -0.883 57.277 58.200 -0.067 0.000 1.051 25 S CB 1.285 64.559 63.200 0.123 0.000 0.986 25 S HN 0.842 nan 8.310 nan 0.000 0.502 44 T N 1.946 116.581 114.554 0.135 0.000 2.915 44 T HA -0.081 4.268 4.350 -0.003 0.000 0.269 44 T C 1.700 176.448 174.700 0.080 0.000 1.071 44 T CA 1.541 63.767 62.100 0.209 0.000 1.132 44 T CB -0.417 68.687 68.868 0.395 0.000 0.878 44 T HN 0.494 nan 8.240 nan 0.000 0.479 45 N N 1.674 120.413 118.700 0.064 0.000 2.039 45 N HA -0.127 4.611 4.740 -0.003 0.000 0.193 45 N C 2.499 178.034 175.510 0.040 0.000 1.044 45 N CA 1.779 54.857 53.050 0.048 0.000 0.847 45 N CB -0.644 37.858 38.487 0.025 0.000 1.030 45 N HN 0.461 nan 8.380 nan 0.000 0.422 46 R N 1.480 121.980 120.500 0.001 0.000 2.139 46 R HA -0.044 4.294 4.340 -0.003 0.000 0.243 46 R C 2.338 178.668 176.300 0.050 0.000 1.145 46 R CA 1.839 57.952 56.100 0.021 0.000 0.976 46 R CB -1.090 29.193 30.300 -0.028 0.000 0.866 46 R HN 0.210 nan 8.270 nan 0.000 0.449 47 R N -0.449 119.973 120.500 -0.130 0.000 2.073 47 R HA 0.054 4.392 4.340 -0.003 0.000 0.229 47 R C 2.403 178.549 176.300 -0.256 0.000 1.120 47 R CA 1.377 57.239 56.100 -0.397 0.000 0.967 47 R CB -0.406 29.205 30.300 -1.149 0.000 0.862 47 R HN 0.306 nan 8.270 nan 0.000 0.436 48 V N -0.642 119.211 119.914 -0.101 0.000 2.407 48 V HA -0.235 3.883 4.120 -0.003 0.000 0.248 48 V C 1.749 177.878 176.094 0.059 0.000 1.055 48 V CA 1.679 63.989 62.300 0.018 0.000 1.049 48 V CB -0.540 31.326 31.823 0.072 0.000 0.662 48 V HN 0.492 nan 8.190 nan 0.000 0.455 49 W N 1.431 122.684 121.300 -0.077 0.000 2.355 49 W HA -0.177 4.481 4.660 -0.003 0.000 0.309 49 W C 2.398 178.884 176.519 -0.055 0.000 1.206 49 W CA 2.021 59.333 57.345 -0.056 0.000 1.284 49 W CB -0.206 29.225 29.460 -0.047 0.000 1.145 49 W HN 0.297 nan 8.180 nan 0.000 0.502 50 E N -0.089 120.139 120.200 0.047 0.000 2.118 50 E HA -0.274 4.074 4.350 -0.003 0.000 0.195 50 E C 2.012 178.520 176.600 -0.152 0.000 0.992 50 E CA 1.519 57.846 56.400 -0.123 0.000 0.804 50 E CB -0.695 29.012 29.700 0.012 0.000 0.741 50 E HN 0.263 nan 8.360 nan 0.000 0.458 51 L N 1.233 122.402 121.223 -0.091 0.000 2.046 51 L HA -0.165 4.173 4.340 -0.003 0.000 0.208 51 L C 2.246 179.034 176.870 -0.137 0.000 1.077 51 L CA 2.261 57.066 54.840 -0.058 0.000 0.747 51 L CB -0.696 41.333 42.059 -0.050 0.000 0.896 51 L HN 0.080 nan 8.230 nan 0.000 0.432 52 S N -0.933 114.655 115.700 -0.187 0.000 2.447 52 S HA -0.118 4.350 4.470 -0.003 0.000 0.233 52 S C 2.141 176.600 174.600 -0.235 0.000 1.006 52 S CA 1.161 59.243 58.200 -0.195 0.000 0.957 52 S CB -0.865 62.229 63.200 -0.176 0.000 0.773 52 S HN 0.575 nan 8.310 nan 0.000 0.507 53 K N 1.405 121.601 120.400 -0.339 0.000 2.116 53 K HA 0.502 4.820 4.320 -0.003 0.000 0.203 53 K C 2.420 178.899 176.600 -0.202 0.000 1.052 53 K CA 1.101 57.171 56.287 -0.360 0.000 0.952 53 K CB -1.432 30.733 32.500 -0.559 0.000 0.729 53 K HN 0.609 nan 8.250 nan 0.000 0.446 54 A N 1.890 124.620 122.820 -0.150 0.000 1.898 54 A HA -0.175 4.143 4.320 -0.003 0.000 0.216 54 A C 2.184 179.716 177.584 -0.086 0.000 1.181 54 A CA 1.673 53.653 52.037 -0.096 0.000 0.620 54 A CB -0.421 18.553 19.000 -0.044 0.000 0.819 54 A HN 0.563 nan 8.150 nan 0.000 0.442 55 N N 0.471 119.124 118.700 -0.079 0.000 2.084 55 N HA -0.103 4.635 4.740 -0.003 0.000 0.190 55 N C 1.954 177.493 175.510 0.048 0.000 1.030 55 N CA 1.711 54.757 53.050 -0.006 0.000 0.849 55 N CB -0.575 37.896 38.487 -0.026 0.000 1.012 55 N HN 0.410 nan 8.380 nan 0.000 0.423 56 S N 0.439 116.127 115.700 -0.021 0.000 2.400 56 S HA -0.090 4.378 4.470 -0.003 0.000 0.232 56 S C 1.906 176.496 174.600 -0.016 0.000 1.025 56 S CA 0.793 58.984 58.200 -0.015 0.000 0.993 56 S CB 0.037 63.197 63.200 -0.067 0.000 0.808 56 S HN 0.333 nan 8.310 nan 0.000 0.478 57 R N -0.271 120.209 120.500 -0.033 0.000 2.093 57 R HA 0.015 4.353 4.340 -0.003 0.000 0.224 57 R C 2.079 178.363 176.300 -0.028 0.000 1.101 57 R CA 1.008 57.083 56.100 -0.041 0.000 0.979 57 R CB -0.274 29.994 30.300 -0.053 0.000 0.877 57 R HN 0.462 nan 8.270 nan 0.000 0.441 58 F N 1.063 120.941 119.950 -0.121 0.000 2.146 58 F HA -0.074 4.451 4.527 -0.003 0.000 0.298 58 F C 1.951 177.726 175.800 -0.042 0.000 1.096 58 F CA 1.244 59.153 58.000 -0.151 0.000 1.275 58 F CB -0.486 38.358 39.000 -0.260 0.000 1.008 58 F HN 0.045 nan 8.300 nan 0.000 0.480 59 A N 0.521 123.315 122.820 -0.044 0.000 1.849 59 A HA -0.296 4.022 4.320 -0.003 0.000 0.217 59 A C 2.352 179.896 177.584 -0.067 0.000 1.202 59 A CA 3.345 55.353 52.037 -0.048 0.000 0.629 59 A CB -1.796 17.245 19.000 0.068 0.000 0.834 59 A HN 0.565 nan 8.150 nan 0.000 0.447 60 T N -3.031 111.507 114.554 -0.027 0.000 2.720 60 T HA -0.177 4.171 4.350 -0.003 0.000 0.268 60 T C 1.787 176.468 174.700 -0.032 0.000 1.037 60 T CA 2.343 64.447 62.100 0.007 0.000 1.144 60 T CB -1.274 67.593 68.868 -0.003 0.000 0.864 60 T HN 0.371 nan 8.240 nan 0.000 0.444 61 T N 1.227 115.711 114.554 -0.116 0.000 2.684 61 T HA -0.003 4.345 4.350 -0.003 0.000 0.267 61 T C 1.343 175.969 174.700 -0.122 0.000 1.036 61 T CA 1.473 63.497 62.100 -0.128 0.000 1.148 61 T CB -0.635 68.148 68.868 -0.141 0.000 0.863 61 T HN 0.447 nan 8.240 nan 0.000 0.436 62 F N 0.646 120.298 119.950 -0.497 0.000 2.186 62 F HA -0.030 4.495 4.527 -0.003 0.000 0.299 62 F C 2.120 177.780 175.800 -0.234 0.000 1.090 62 F CA 0.571 58.278 58.000 -0.488 0.000 1.307 62 F CB -0.503 37.919 39.000 -0.963 0.000 1.019 62 F HN 0.160 nan 8.300 nan 0.000 0.489 63 Y N 1.406 121.558 120.300 -0.246 0.000 2.165 63 Y HA -0.307 4.241 4.550 -0.003 0.000 0.286 63 Y C 2.448 178.160 175.900 -0.313 0.000 1.155 63 Y CA 2.327 60.272 58.100 -0.259 0.000 1.164 63 Y CB -0.726 37.645 38.460 -0.148 0.000 0.978 63 Y HN 0.223 nan 8.280 nan 0.000 0.513 64 Q N -1.051 118.592 119.800 -0.262 0.000 2.030 64 Q HA -0.246 4.092 4.340 -0.003 0.000 0.204 64 Q C 2.152 177.855 176.000 -0.494 0.000 0.986 64 Q CA 1.722 57.311 55.803 -0.356 0.000 0.843 64 Q CB -0.483 28.088 28.738 -0.279 0.000 0.904 64 Q HN 0.637 nan 8.270 nan 0.000 0.420 65 H N 0.485 119.295 119.070 -0.433 0.000 2.253 65 H HA -0.155 4.400 4.556 -0.003 0.000 0.296 65 H C 2.310 177.311 175.328 -0.544 0.000 1.067 65 H CA 1.616 57.403 56.048 -0.435 0.000 1.245 65 H CB -0.548 28.955 29.762 -0.431 0.000 1.364 65 H HN 0.166 nan 8.280 nan 0.000 0.494 66 L N 1.194 122.013 121.223 -0.674 0.000 2.137 66 L HA -0.171 4.167 4.340 -0.003 0.000 0.213 66 L C 2.448 178.948 176.870 -0.616 0.000 1.085 66 L CA 1.869 56.267 54.840 -0.738 0.000 0.760 66 L CB -0.721 40.696 42.059 -1.071 0.000 0.893 66 L HN 0.248 nan 8.230 nan 0.000 0.434 67 A N -0.015 122.385 122.820 -0.701 0.000 1.872 67 A HA -0.183 4.135 4.320 -0.003 0.000 0.214 67 A C 1.794 179.147 177.584 -0.385 0.000 1.187 67 A CA 1.260 52.908 52.037 -0.648 0.000 0.614 67 A CB -0.951 17.474 19.000 -0.957 0.000 0.826 67 A HN 0.682 nan 8.150 nan 0.000 0.442 68 D N -0.261 119.940 120.400 -0.332 0.000 2.338 68 D HA -0.015 4.623 4.640 -0.003 0.000 0.239 68 D C 0.941 177.133 176.300 -0.180 0.000 1.095 68 D CA 0.945 54.814 54.000 -0.219 0.000 0.888 68 D CB -0.283 40.398 40.800 -0.198 0.000 0.899 68 D HN 0.326 nan 8.370 nan 0.000 0.525 69 S N -1.688 113.885 115.700 -0.212 0.000 2.651 69 S HA 0.323 4.791 4.470 -0.003 0.000 0.246 69 S C 0.226 174.733 174.600 -0.155 0.000 1.039 69 S CA -0.785 57.316 58.200 -0.164 0.000 1.013 69 S CB 0.037 63.132 63.200 -0.175 0.000 0.861 69 S HN 0.100 nan 8.310 nan 0.000 0.485 70 K N 0.787 121.095 120.400 -0.155 0.000 2.367 70 K HA 0.343 4.662 4.320 -0.003 0.000 0.272 70 K C -1.354 175.192 176.600 -0.090 0.000 1.046 70 K CA -0.864 55.349 56.287 -0.124 0.000 0.895 70 K CB 1.189 33.593 32.500 -0.159 0.000 1.512 70 K HN 0.246 nan 8.250 nan 0.000 0.433 71 N N 1.179 119.842 118.700 -0.062 0.000 2.455 71 N HA 0.023 4.761 4.740 -0.003 0.000 0.280 71 N C -0.388 175.101 175.510 -0.034 0.000 1.055 71 N CA -0.317 52.710 53.050 -0.039 0.000 0.961 71 N CB 0.856 39.331 38.487 -0.020 0.000 1.121 71 N HN 0.417 nan 8.380 nan 0.000 0.476 72 D N 2.086 122.471 120.400 -0.024 0.000 2.389 72 D HA -0.118 4.520 4.640 -0.003 0.000 0.221 72 D C 0.235 176.545 176.300 0.017 0.000 0.974 72 D CA 0.963 54.959 54.000 -0.007 0.000 0.923 72 D CB 0.067 40.869 40.800 0.003 0.000 0.892 72 D HN 0.550 nan 8.370 nan 0.000 0.518 73 N N 0.611 119.322 118.700 0.019 0.000 2.205 73 N HA -0.008 4.730 4.740 -0.003 0.000 0.201 73 N C -0.045 175.484 175.510 0.031 0.000 1.128 73 N CA -0.030 53.046 53.050 0.043 0.000 0.867 73 N CB 0.946 39.465 38.487 0.052 0.000 0.996 73 N HN 0.117 nan 8.380 nan 0.000 0.503 74 D N 1.080 121.484 120.400 0.007 0.000 2.264 74 D HA 0.167 4.805 4.640 -0.003 0.000 0.249 74 D C 0.158 176.457 176.300 -0.002 0.000 1.070 74 D CA -0.075 53.925 54.000 0.000 0.000 0.912 74 D CB 0.994 41.785 40.800 -0.015 0.000 1.193 74 D HN -0.066 nan 8.370 nan 0.000 0.427 75 N N 0.985 119.688 118.700 0.005 0.000 2.444 75 N HA 0.327 5.066 4.740 -0.003 0.000 0.255 75 N C -0.230 175.315 175.510 0.057 0.000 1.255 75 N CA 0.194 53.254 53.050 0.016 0.000 0.933 75 N CB 1.016 39.518 38.487 0.024 0.000 1.143 75 N HN 0.353 nan 8.380 nan 0.000 0.453 76 I N 1.148 121.784 120.570 0.111 0.000 2.644 76 I HA 0.347 4.515 4.170 -0.003 0.000 0.291 76 I C -1.526 174.806 176.117 0.358 0.000 1.180 76 I CA -0.602 60.801 61.300 0.172 0.000 1.040 76 I CB 1.847 39.916 38.000 0.116 0.000 1.255 76 I HN 0.283 nan 8.210 nan 0.000 0.422 77 F N 7.903 127.989 119.950 0.226 0.000 2.623 77 F HA 0.709 5.234 4.527 -0.003 0.000 0.323 77 F C -1.685 174.396 175.800 0.468 0.000 1.158 77 F CA -0.624 57.546 58.000 0.284 0.000 1.030 77 F CB 1.509 40.639 39.000 0.216 0.000 1.280 77 F HN 0.299 nan 8.300 nan 0.000 0.474 78 L N 1.956 123.150 121.223 -0.048 0.000 2.600 78 L HA 0.806 5.144 4.340 -0.003 0.000 0.257 78 L C -1.496 175.384 176.870 0.016 0.000 1.048 78 L CA -0.923 54.090 54.840 0.288 0.000 0.869 78 L CB 1.959 44.287 42.059 0.448 0.000 1.482 78 L HN 0.448 nan 8.230 nan 0.000 0.408 79 S N 1.085 116.947 115.700 0.270 0.000 2.520 79 S HA 0.551 5.020 4.470 -0.003 0.000 0.324 79 S C -1.753 172.823 174.600 -0.039 0.000 1.069 79 S CA -1.431 56.680 58.200 -0.149 0.000 1.121 79 S CB 1.011 64.009 63.200 -0.337 0.000 0.971 79 S HN 0.668 nan 8.310 nan 0.000 0.463 80 P HA -0.055 nan 4.420 nan 0.000 0.222 80 P C 1.544 178.910 177.300 0.110 0.000 1.153 80 P CA 0.285 63.424 63.100 0.065 0.000 0.798 80 P CB 0.159 31.928 31.700 0.116 0.000 0.796 81 L N 0.465 121.715 121.223 0.045 0.000 2.046 81 L HA -0.088 4.250 4.340 -0.003 0.000 0.208 81 L C 2.736 179.703 176.870 0.163 0.000 1.077 81 L CA 1.936 56.846 54.840 0.116 0.000 0.747 81 L CB -1.538 40.559 42.059 0.064 0.000 0.896 81 L HN -0.065 nan 8.230 nan 0.000 0.432 82 S N -0.518 115.242 115.700 0.100 0.000 2.353 82 S HA -0.211 4.257 4.470 -0.003 0.000 0.222 82 S C 2.053 176.752 174.600 0.166 0.000 1.035 82 S CA 1.884 60.170 58.200 0.145 0.000 1.025 82 S CB -0.445 62.870 63.200 0.191 0.000 0.902 82 S HN 0.478 nan 8.310 nan 0.000 0.440 83 I N 0.690 121.355 120.570 0.159 0.000 2.142 83 I HA -0.146 4.022 4.170 -0.003 0.000 0.240 83 I C 2.775 178.982 176.117 0.151 0.000 1.078 83 I CA 1.445 62.835 61.300 0.150 0.000 1.343 83 I CB -0.704 37.267 38.000 -0.047 0.000 1.046 83 I HN 0.328 nan 8.210 nan 0.000 0.405 84 S N -0.130 115.630 115.700 0.100 0.000 2.400 84 S HA -0.183 4.285 4.470 -0.003 0.000 0.232 84 S C 1.980 176.704 174.600 0.208 0.000 1.025 84 S CA 2.049 60.319 58.200 0.117 0.000 0.993 84 S CB -0.273 63.048 63.200 0.202 0.000 0.808 84 S HN 0.455 nan 8.310 nan 0.000 0.478 85 T N 1.668 116.322 114.554 0.167 0.000 2.668 85 T HA 0.077 4.425 4.350 -0.003 0.000 0.258 85 T C 2.114 176.598 174.700 -0.361 0.000 1.051 85 T CA 1.185 63.192 62.100 -0.155 0.000 1.155 85 T CB -0.751 68.093 68.868 -0.041 0.000 0.864 85 T HN 0.465 nan 8.240 nan 0.000 0.413 86 A N 0.894 123.603 122.820 -0.185 0.000 1.927 86 A HA -0.117 4.201 4.320 -0.003 0.000 0.220 86 A C 1.980 179.320 177.584 -0.406 0.000 1.185 86 A CA 1.719 53.601 52.037 -0.259 0.000 0.639 86 A CB -1.105 17.833 19.000 -0.102 0.000 0.820 86 A HN 0.486 nan 8.150 nan 0.000 0.451 87 F N -0.339 119.366 119.950 -0.408 0.000 2.325 87 F HA 0.078 4.603 4.527 -0.003 0.000 0.299 87 F C 2.650 178.144 175.800 -0.510 0.000 1.090 87 F CA 0.653 58.320 58.000 -0.554 0.000 1.392 87 F CB -0.283 38.090 39.000 -1.046 0.000 1.053 87 F HN 0.260 nan 8.300 nan 0.000 0.521 88 A N -0.186 122.436 122.820 -0.330 0.000 1.930 88 A HA -0.178 4.140 4.320 -0.003 0.000 0.217 88 A C 2.233 179.667 177.584 -0.250 0.000 1.175 88 A CA 1.423 53.295 52.037 -0.275 0.000 0.627 88 A CB -0.628 18.135 19.000 -0.394 0.000 0.815 88 A HN 0.314 nan 8.150 nan 0.000 0.443 89 M N -0.817 118.395 119.600 -0.647 0.000 2.086 89 M HA -0.135 4.344 4.480 -0.003 0.000 0.261 89 M C 2.250 178.423 176.300 -0.212 0.000 1.067 89 M CA 2.029 56.982 55.300 -0.579 0.000 1.116 89 M CB -0.862 31.339 32.600 -0.665 0.000 1.348 89 M HN 0.417 nan 8.290 nan 0.000 0.407 90 T N 0.351 114.737 114.554 -0.280 0.000 2.720 90 T HA -0.179 4.169 4.350 -0.003 0.000 0.268 90 T C 1.774 176.403 174.700 -0.118 0.000 1.037 90 T CA 1.237 63.196 62.100 -0.234 0.000 1.144 90 T CB -0.286 68.328 68.868 -0.424 0.000 0.864 90 T HN 0.342 nan 8.240 nan 0.000 0.444 91 K N 0.838 121.193 120.400 -0.074 0.000 2.218 91 K HA -0.037 4.281 4.320 -0.003 0.000 0.205 91 K C 1.942 178.597 176.600 0.091 0.000 1.046 91 K CA 0.883 57.183 56.287 0.022 0.000 0.933 91 K CB -0.380 32.146 32.500 0.044 0.000 0.728 91 K HN 0.361 nan 8.250 nan 0.000 0.454 92 L N -0.437 120.840 121.223 0.090 0.000 2.642 92 L HA -0.113 4.225 4.340 -0.003 0.000 0.236 92 L C 1.557 178.483 176.870 0.092 0.000 1.169 92 L CA 0.971 55.843 54.840 0.054 0.000 0.851 92 L CB -0.071 42.010 42.059 0.036 0.000 0.968 92 L HN 0.336 nan 8.230 nan 0.000 0.453 93 G N -1.645 107.145 108.800 -0.016 0.000 3.815 93 G HA2 0.421 4.379 3.960 -0.003 0.000 0.265 93 G HA3 0.421 4.379 3.960 -0.003 0.000 0.265 93 G C 0.246 175.084 174.900 -0.104 0.000 1.026 93 G CA 0.410 45.424 45.100 -0.143 0.000 0.868 93 G HN 0.235 nan 8.290 nan 0.000 0.476 94 A N -0.475 122.315 122.820 -0.051 0.000 2.271 94 A HA 0.769 5.087 4.320 -0.003 0.000 0.288 94 A C -0.381 177.198 177.584 -0.008 0.000 1.094 94 A CA -0.394 51.621 52.037 -0.037 0.000 0.828 94 A CB 1.157 20.140 19.000 -0.029 0.000 1.091 94 A HN 0.798 nan 8.150 nan 0.000 0.493 95 c N 0.405 119.003 118.600 -0.004 0.000 3.239 95 c HA 0.601 5.170 4.570 -0.003 0.000 0.329 95 c C 0.475 174.577 174.090 0.021 0.000 1.252 95 c CA 0.166 56.505 56.329 0.016 0.000 1.323 95 c CB -0.037 42.480 42.510 0.012 0.000 1.663 95 c HN 1.279 nan 8.230 nan 0.000 0.487 96 N N 1.349 120.074 118.700 0.042 0.000 1.854 96 N HA -0.209 4.529 4.740 -0.003 0.000 0.172 96 N C 0.077 175.611 175.510 0.041 0.000 0.700 96 N CA 1.809 54.889 53.050 0.051 0.000 1.268 96 N CB -0.842 37.667 38.487 0.037 0.000 1.408 96 N HN 0.844 nan 8.380 nan 0.000 0.428 97 D N -0.540 119.878 120.400 0.028 0.000 2.249 97 D HA 0.060 4.698 4.640 -0.003 0.000 0.205 97 D C 1.544 177.841 176.300 -0.005 0.000 0.962 97 D CA 1.543 55.553 54.000 0.017 0.000 0.860 97 D CB -0.507 40.309 40.800 0.028 0.000 0.955 97 D HN 0.470 nan 8.370 nan 0.000 0.505 98 T N 1.699 116.251 114.554 -0.003 0.000 2.708 98 T HA -0.148 4.200 4.350 -0.003 0.000 0.266 98 T C 1.929 176.614 174.700 -0.025 0.000 1.037 98 T CA 0.580 62.672 62.100 -0.013 0.000 1.146 98 T CB -0.277 68.581 68.868 -0.018 0.000 0.865 98 T HN 0.048 nan 8.240 nan 0.000 0.435 99 L N 0.974 122.177 121.223 -0.033 0.000 2.131 99 L HA -0.018 4.321 4.340 -0.003 0.000 0.210 99 L C 2.442 179.198 176.870 -0.189 0.000 1.092 99 L CA 1.694 56.499 54.840 -0.057 0.000 0.759 99 L CB -0.730 41.320 42.059 -0.015 0.000 0.903 99 L HN 0.246 nan 8.230 nan 0.000 0.435 100 Q N -1.040 118.618 119.800 -0.237 0.000 1.994 100 Q HA -0.215 4.123 4.340 -0.003 0.000 0.198 100 Q C 2.215 178.082 176.000 -0.221 0.000 0.976 100 Q CA 1.658 57.189 55.803 -0.454 0.000 0.828 100 Q CB -0.162 28.446 28.738 -0.218 0.000 0.894 100 Q HN 0.631 nan 8.270 nan 0.000 0.432 101 Q N 0.280 120.035 119.800 -0.076 0.000 2.152 101 Q HA -0.192 4.146 4.340 -0.003 0.000 0.206 101 Q C 2.245 178.277 176.000 0.052 0.000 0.985 101 Q CA 1.376 57.179 55.803 -0.001 0.000 0.863 101 Q CB -0.117 28.635 28.738 0.024 0.000 0.904 101 Q HN 0.429 nan 8.270 nan 0.000 0.422 102 L N -0.285 120.976 121.223 0.063 0.000 2.046 102 L HA -0.209 4.129 4.340 -0.003 0.000 0.208 102 L C 2.428 179.467 176.870 0.281 0.000 1.077 102 L CA 0.800 55.758 54.840 0.197 0.000 0.747 102 L CB -0.279 41.852 42.059 0.119 0.000 0.896 102 L HN 0.393 nan 8.230 nan 0.000 0.432 103 M N -0.643 119.029 119.600 0.120 0.000 2.117 103 M HA -0.186 4.292 4.480 -0.003 0.000 0.262 103 M C 2.081 178.479 176.300 0.162 0.000 1.065 103 M CA 1.698 57.110 55.300 0.188 0.000 1.114 103 M CB -0.938 31.623 32.600 -0.064 0.000 1.361 103 M HN 0.288 nan 8.290 nan 0.000 0.408 104 E N -0.218 120.021 120.200 0.065 0.000 2.028 104 E HA -0.116 4.232 4.350 -0.003 0.000 0.190 104 E C 2.112 178.728 176.600 0.026 0.000 0.984 104 E CA 1.181 57.614 56.400 0.055 0.000 0.800 104 E CB -0.205 29.517 29.700 0.037 0.000 0.758 104 E HN 0.232 nan 8.360 nan 0.000 0.448 105 V N 0.804 120.729 119.914 0.019 0.000 2.392 105 V HA -0.225 3.893 4.120 -0.003 0.000 0.249 105 V C 1.592 177.507 176.094 -0.298 0.000 1.059 105 V CA 1.591 63.829 62.300 -0.104 0.000 1.051 105 V CB -0.466 31.281 31.823 -0.128 0.000 0.658 105 V HN 0.187 nan 8.190 nan 0.000 0.455 106 F N -0.094 119.729 119.950 -0.212 0.000 2.692 106 F HA 0.173 4.698 4.527 -0.003 0.000 0.303 106 F C 1.387 176.798 175.800 -0.649 0.000 1.114 106 F CA -0.175 57.468 58.000 -0.595 0.000 1.361 106 F CB -0.660 37.741 39.000 -0.999 0.000 1.063 106 F HN -0.077 nan 8.300 nan 0.000 0.550 107 K N -1.021 119.274 120.400 -0.175 0.000 3.020 107 K HA -0.258 4.060 4.320 -0.003 0.000 0.266 107 K C 0.690 177.273 176.600 -0.027 0.000 1.067 107 K CA 0.986 57.224 56.287 -0.082 0.000 0.780 107 K CB -3.012 29.443 32.500 -0.075 0.000 1.220 107 K HN 0.425 nan 8.250 nan 0.000 0.483 108 F N 1.366 121.393 119.950 0.127 0.000 2.558 108 F HA 0.043 4.568 4.527 -0.003 0.000 0.298 108 F C 2.186 178.059 175.800 0.122 0.000 1.119 108 F CA 0.877 58.946 58.000 0.115 0.000 1.451 108 F CB -0.052 39.017 39.000 0.115 0.000 1.091 108 F HN 0.461 nan 8.300 nan 0.000 0.563 109 D N -0.771 119.803 120.400 0.290 0.000 2.336 109 D HA -0.078 4.560 4.640 -0.003 0.000 0.229 109 D C 1.568 177.977 176.300 0.182 0.000 1.061 109 D CA 1.153 55.312 54.000 0.265 0.000 0.875 109 D CB -0.907 40.056 40.800 0.273 0.000 0.904 109 D HN 0.359 nan 8.370 nan 0.000 0.525 110 T N -2.141 112.500 114.554 0.143 0.000 3.044 110 T HA 0.132 4.480 4.350 -0.003 0.000 0.255 110 T C 1.217 175.969 174.700 0.086 0.000 1.073 110 T CA -0.218 61.935 62.100 0.089 0.000 1.125 110 T CB -0.460 68.433 68.868 0.042 0.000 0.908 110 T HN -0.025 nan 8.240 nan 0.000 0.480 111 I N 2.643 123.282 120.570 0.115 0.000 2.836 111 I HA 0.269 4.437 4.170 -0.003 0.000 0.285 111 I C 2.208 178.378 176.117 0.088 0.000 1.174 111 I CA 0.058 61.411 61.300 0.088 0.000 1.405 111 I CB 0.568 38.640 38.000 0.120 0.000 1.385 111 I HN 0.558 nan 8.210 nan 0.000 0.594 112 S N 3.194 118.923 115.700 0.048 0.000 2.365 112 S HA -0.182 4.286 4.470 -0.003 0.000 0.221 112 S C 1.527 176.182 174.600 0.091 0.000 1.037 112 S CA 1.531 59.763 58.200 0.054 0.000 1.060 112 S CB -0.747 62.467 63.200 0.022 0.000 0.974 112 S HN 1.374 nan 8.310 nan 0.000 0.427 113 E N 1.528 121.805 120.200 0.129 0.000 3.355 113 E HA 0.028 4.376 4.350 -0.003 0.000 0.234 113 E C 1.068 177.767 176.600 0.164 0.000 0.952 113 E CA 1.437 57.971 56.400 0.223 0.000 0.928 113 E CB -2.209 27.757 29.700 0.444 0.000 0.873 113 E HN 0.880 nan 8.360 nan 0.000 0.525 114 K N 1.568 122.033 120.400 0.108 0.000 2.097 114 K HA -0.153 4.165 4.320 -0.003 0.000 0.214 114 K C 1.791 178.429 176.600 0.063 0.000 1.052 114 K CA 2.237 58.561 56.287 0.062 0.000 0.932 114 K CB -1.267 31.252 32.500 0.031 0.000 0.716 114 K HN 1.418 nan 8.250 nan 0.000 0.455 115 T N -3.218 111.388 114.554 0.088 0.000 2.918 115 T HA 0.432 4.780 4.350 -0.003 0.000 0.283 115 T C 1.215 176.005 174.700 0.150 0.000 1.001 115 T CA -0.057 62.102 62.100 0.099 0.000 1.041 115 T CB 1.928 70.839 68.868 0.072 0.000 1.028 115 T HN 0.181 nan 8.240 nan 0.000 0.511 116 S N 0.713 116.520 115.700 0.179 0.000 2.355 116 S HA -0.146 4.322 4.470 -0.003 0.000 0.222 116 S C 2.235 176.901 174.600 0.110 0.000 1.031 116 S CA 1.342 59.638 58.200 0.160 0.000 0.993 116 S CB -0.785 62.529 63.200 0.189 0.000 0.859 116 S HN 0.987 nan 8.310 nan 0.000 0.453 117 D N 0.979 121.462 120.400 0.139 0.000 2.172 117 D HA -0.240 4.398 4.640 -0.003 0.000 0.196 117 D C 2.226 178.585 176.300 0.099 0.000 0.999 117 D CA 1.654 55.747 54.000 0.155 0.000 0.856 117 D CB -1.427 39.420 40.800 0.078 0.000 0.934 117 D HN 0.672 nan 8.370 nan 0.000 0.453 118 Q N 0.200 120.034 119.800 0.056 0.000 2.030 118 Q HA -0.061 4.277 4.340 -0.003 0.000 0.204 118 Q C 2.501 178.488 176.000 -0.022 0.000 0.986 118 Q CA 1.881 57.683 55.803 -0.002 0.000 0.843 118 Q CB -1.097 27.733 28.738 0.153 0.000 0.904 118 Q HN 0.609 nan 8.270 nan 0.000 0.420 119 I N 1.010 121.634 120.570 0.090 0.000 2.132 119 I HA -0.391 3.777 4.170 -0.003 0.000 0.238 119 I C 2.396 178.515 176.117 0.003 0.000 1.012 119 I CA 2.238 63.578 61.300 0.067 0.000 1.288 119 I CB -0.931 36.903 38.000 -0.277 0.000 0.997 119 I HN 0.624 nan 8.210 nan 0.000 0.402 120 H N -0.969 118.110 119.070 0.015 0.000 2.325 120 H HA -0.286 4.268 4.556 -0.003 0.000 0.293 120 H C 2.231 177.518 175.328 -0.070 0.000 1.106 120 H CA 2.258 58.293 56.048 -0.023 0.000 1.247 120 H CB -0.989 28.710 29.762 -0.104 0.000 1.359 120 H HN 0.404 nan 8.280 nan 0.000 0.488 121 F N 1.412 121.249 119.950 -0.189 0.000 2.065 121 F HA -0.258 4.267 4.527 -0.003 0.000 0.298 121 F C 2.205 177.889 175.800 -0.193 0.000 1.112 121 F CA 1.337 59.154 58.000 -0.306 0.000 1.212 121 F CB -0.710 37.960 39.000 -0.550 0.000 0.975 121 F HN -0.082 nan 8.300 nan 0.000 0.476 122 F N -0.719 119.292 119.950 0.100 0.000 2.171 122 F HA -0.164 4.361 4.527 -0.003 0.000 0.300 122 F C 2.300 178.104 175.800 0.008 0.000 1.090 122 F CA 1.087 59.088 58.000 0.002 0.000 1.293 122 F CB -1.718 37.339 39.000 0.096 0.000 1.013 122 F HN 0.012 nan 8.300 nan 0.000 0.486 123 F N 0.840 120.860 119.950 0.116 0.000 2.171 123 F HA -0.113 4.412 4.527 -0.003 0.000 0.300 123 F C 2.362 178.187 175.800 0.043 0.000 1.090 123 F CA 0.803 58.874 58.000 0.118 0.000 1.293 123 F CB -0.869 38.227 39.000 0.161 0.000 1.013 123 F HN -0.052 nan 8.300 nan 0.000 0.486 124 A N -0.271 122.637 122.820 0.147 0.000 1.930 124 A HA -0.145 4.173 4.320 -0.003 0.000 0.217 124 A C 2.333 179.890 177.584 -0.046 0.000 1.175 124 A CA 1.276 53.294 52.037 -0.032 0.000 0.627 124 A CB -0.423 18.435 19.000 -0.236 0.000 0.815 124 A HN 0.165 nan 8.150 nan 0.000 0.443 125 K N -0.532 119.787 120.400 -0.136 0.000 2.001 125 K HA -0.084 4.234 4.320 -0.003 0.000 0.208 125 K C 1.942 178.548 176.600 0.011 0.000 1.048 125 K CA 1.276 57.498 56.287 -0.109 0.000 0.932 125 K CB -1.006 31.420 32.500 -0.124 0.000 0.715 125 K HN 0.445 nan 8.250 nan 0.000 0.437 126 L N 2.467 123.721 121.223 0.051 0.000 2.021 126 L HA -0.249 4.089 4.340 -0.003 0.000 0.215 126 L C 1.560 178.470 176.870 0.067 0.000 1.074 126 L CA 1.901 56.764 54.840 0.038 0.000 0.760 126 L CB -0.779 41.264 42.059 -0.027 0.000 0.889 126 L HN 0.154 nan 8.230 nan 0.000 0.433 127 N N -0.795 118.033 118.700 0.214 0.000 2.120 127 N HA -0.165 4.573 4.740 -0.003 0.000 0.188 127 N C 1.907 177.552 175.510 0.226 0.000 1.024 127 N CA 1.738 54.989 53.050 0.334 0.000 0.852 127 N CB -0.951 37.857 38.487 0.535 0.000 1.003 127 N HN 0.476 nan 8.380 nan 0.000 0.424 128 c N 1.458 120.142 118.600 0.140 0.000 2.413 128 c HA -0.028 4.541 4.570 -0.003 0.000 0.276 128 c C 2.471 176.590 174.090 0.048 0.000 1.236 128 c CA 0.360 56.747 56.329 0.097 0.000 1.735 128 c CB -0.768 41.766 42.510 0.040 0.000 2.031 128 c HN 0.467 nan 8.230 nan 0.000 0.474 129 R N 0.836 121.342 120.500 0.011 0.000 2.193 129 R HA -0.024 4.314 4.340 -0.003 0.000 0.229 129 R C 1.843 178.105 176.300 -0.064 0.000 1.110 129 R CA 1.046 57.140 56.100 -0.011 0.000 0.988 129 R CB -0.745 29.552 30.300 -0.005 0.000 0.871 129 R HN 0.558 nan 8.270 nan 0.000 0.458 130 L N -1.159 119.955 121.223 -0.183 0.000 2.130 130 L HA -0.018 4.320 4.340 -0.003 0.000 0.200 130 L C 2.052 178.719 176.870 -0.340 0.000 1.075 130 L CA 0.924 55.535 54.840 -0.382 0.000 0.768 130 L CB -0.430 41.140 42.059 -0.815 0.000 0.933 130 L HN -0.004 nan 8.230 nan 0.000 0.451 131 Y N -0.221 120.136 120.300 0.095 0.000 2.301 131 Y HA 0.051 4.599 4.550 -0.003 0.000 0.295 131 Y C 2.376 178.322 175.900 0.076 0.000 1.119 131 Y CA 0.581 58.738 58.100 0.095 0.000 1.162 131 Y CB -0.655 37.864 38.460 0.098 0.000 1.046 131 Y HN -0.008 nan 8.280 nan 0.000 0.538 132 R N 2.081 122.695 120.500 0.191 0.000 4.518 132 R HA 0.455 4.794 4.340 -0.003 0.000 0.243 132 R C 1.299 177.647 176.300 0.080 0.000 1.720 132 R CA 0.415 56.588 56.100 0.122 0.000 1.526 132 R CB -1.950 28.411 30.300 0.101 0.000 1.425 132 R HN 0.434 nan 8.270 nan 0.000 0.787 133 K N 0.150 120.597 120.400 0.078 0.000 2.073 133 K HA 0.226 4.544 4.320 -0.003 0.000 0.229 133 K C 1.746 178.377 176.600 0.052 0.000 0.937 133 K CA 2.851 59.172 56.287 0.057 0.000 1.071 133 K CB -0.811 31.730 32.500 0.068 0.000 0.679 133 K HN 1.559 nan 8.250 nan 0.000 0.575 134 A N -1.832 121.021 122.820 0.054 0.000 2.597 134 A HA 0.396 4.715 4.320 -0.003 0.000 0.117 134 A C -0.535 177.076 177.584 0.046 0.000 1.465 134 A CA 0.841 52.906 52.037 0.046 0.000 2.326 134 A CB 0.186 19.212 19.000 0.043 0.000 2.358 134 A HN 0.719 nan 8.150 nan 0.000 1.040 135 N N -0.668 118.061 118.700 0.048 0.000 2.793 135 N HA 0.542 5.280 4.740 -0.003 0.000 0.251 135 N C -0.905 174.636 175.510 0.053 0.000 1.308 135 N CA 0.870 53.947 53.050 0.046 0.000 0.781 135 N CB 1.462 39.972 38.487 0.039 0.000 1.439 135 N HN 0.852 nan 8.380 nan 0.000 0.562 136 K N -0.251 120.184 120.400 0.060 0.000 2.444 136 K HA 0.862 5.180 4.320 -0.003 0.000 0.252 136 K C 0.574 177.212 176.600 0.064 0.000 0.993 136 K CA -0.052 56.277 56.287 0.070 0.000 0.847 136 K CB 0.623 33.175 32.500 0.087 0.000 1.340 136 K HN 0.374 nan 8.250 nan 0.000 0.446 137 S N 0.416 116.159 115.700 0.071 0.000 2.614 137 S HA 0.424 4.892 4.470 -0.003 0.000 0.230 137 S C 0.265 174.892 174.600 0.044 0.000 0.952 137 S CA 0.216 58.449 58.200 0.056 0.000 0.949 137 S CB -0.113 63.126 63.200 0.065 0.000 0.786 137 S HN 0.532 nan 8.310 nan 0.000 0.478 138 S N 1.350 117.088 115.700 0.063 0.000 2.596 138 S HA 0.370 4.838 4.470 -0.003 0.000 0.318 138 S C -0.417 174.223 174.600 0.065 0.000 1.097 138 S CA -0.709 57.519 58.200 0.048 0.000 1.080 138 S CB 1.483 64.789 63.200 0.176 0.000 0.991 138 S HN 0.486 nan 8.310 nan 0.000 0.471 139 K N 3.320 123.711 120.400 -0.015 0.000 2.292 139 K HA 0.329 4.647 4.320 -0.003 0.000 0.290 139 K C -1.131 175.595 176.600 0.210 0.000 1.083 139 K CA -0.466 55.870 56.287 0.083 0.000 0.918 139 K CB 0.141 32.686 32.500 0.076 0.000 1.089 139 K HN 0.440 nan 8.250 nan 0.000 0.473 140 L N 7.155 128.548 121.223 0.283 0.000 2.417 140 L HA 0.271 4.609 4.340 -0.003 0.000 0.259 140 L C -0.916 176.220 176.870 0.443 0.000 1.023 140 L CA -0.666 54.411 54.840 0.396 0.000 0.901 140 L CB 1.198 43.460 42.059 0.338 0.000 1.227 140 L HN 0.440 nan 8.230 nan 0.000 0.454 141 V N 1.100 121.255 119.914 0.401 0.000 3.093 141 V HA 0.963 5.081 4.120 -0.003 0.000 0.320 141 V C -0.271 175.890 176.094 0.113 0.000 1.093 141 V CA -0.313 62.146 62.300 0.265 0.000 1.016 141 V CB 1.858 33.764 31.823 0.138 0.000 1.096 141 V HN 0.733 nan 8.190 nan 0.000 0.452 142 S N 0.998 116.572 115.700 -0.210 0.000 2.543 142 S HA 0.811 5.279 4.470 -0.003 0.000 0.273 142 S C -0.858 173.593 174.600 -0.248 0.000 1.152 142 S CA 0.095 58.058 58.200 -0.395 0.000 0.910 142 S CB 1.256 63.732 63.200 -1.207 0.000 1.105 142 S HN 2.168 nan 8.310 nan 0.000 0.465 143 A N 3.977 126.734 122.820 -0.104 0.000 2.374 143 A HA 0.782 5.100 4.320 -0.003 0.000 0.305 143 A C -0.860 176.839 177.584 0.191 0.000 1.053 143 A CA -0.804 51.250 52.037 0.030 0.000 0.726 143 A CB 0.994 19.994 19.000 -0.001 0.000 1.229 143 A HN 0.839 nan 8.150 nan 0.000 0.431 144 N N 0.566 119.362 118.700 0.161 0.000 2.314 144 N HA 0.766 5.504 4.740 -0.003 0.000 0.304 144 N C -0.558 174.951 175.510 -0.002 0.000 1.073 144 N CA -0.727 52.383 53.050 0.100 0.000 0.822 144 N CB 2.049 40.523 38.487 -0.021 0.000 1.280 144 N HN 0.739 nan 8.380 nan 0.000 0.489 145 R N 2.048 122.424 120.500 -0.207 0.000 2.629 145 R HA 0.438 4.776 4.340 -0.003 0.000 0.266 145 R C -2.030 173.868 176.300 -0.670 0.000 1.051 145 R CA -0.555 55.184 56.100 -0.602 0.000 0.895 145 R CB 1.084 30.666 30.300 -1.196 0.000 1.246 145 R HN 0.434 nan 8.270 nan 0.000 0.459 146 L N 3.383 124.145 121.223 -0.769 0.000 2.331 146 L HA 0.611 4.950 4.340 -0.003 0.000 0.275 146 L C -0.998 175.362 176.870 -0.850 0.000 1.022 146 L CA -0.845 53.653 54.840 -0.571 0.000 0.812 146 L CB 1.561 43.372 42.059 -0.412 0.000 1.257 146 L HN 0.557 nan 8.230 nan 0.000 0.435 147 F N 0.664 120.493 119.950 -0.201 0.000 2.646 147 F HA 0.523 5.048 4.527 -0.003 0.000 0.364 147 F C 0.682 176.516 175.800 0.056 0.000 1.137 147 F CA -0.594 57.336 58.000 -0.117 0.000 1.085 147 F CB 1.540 40.534 39.000 -0.009 0.000 1.331 147 F HN 0.418 nan 8.300 nan 0.000 0.472 148 G N 0.725 109.508 108.800 -0.028 0.000 2.521 148 G HA2 0.349 4.307 3.960 -0.003 0.000 0.323 148 G HA3 0.349 4.307 3.960 -0.003 0.000 0.323 148 G C -1.389 173.673 174.900 0.269 0.000 1.211 148 G CA -0.584 44.608 45.100 0.154 0.000 0.979 148 G HN 0.437 nan 8.290 nan 0.000 0.490 149 D N -0.955 119.765 120.400 0.534 0.000 2.390 149 D HA 0.102 4.740 4.640 -0.003 0.000 0.249 149 D C 1.322 177.706 176.300 0.140 0.000 1.144 149 D CA -0.112 54.015 54.000 0.211 0.000 0.880 149 D CB 1.137 42.117 40.800 0.300 0.000 1.182 149 D HN 0.301 nan 8.370 nan 0.000 0.451 150 K N 1.170 121.559 120.400 -0.019 0.000 2.589 150 K HA -0.097 4.221 4.320 -0.003 0.000 0.195 150 K C 0.797 177.409 176.600 0.020 0.000 1.040 150 K CA 0.884 57.168 56.287 -0.004 0.000 0.950 150 K CB 0.033 32.498 32.500 -0.058 0.000 0.781 150 K HN 0.406 nan 8.250 nan 0.000 0.486 151 S N -0.768 114.948 115.700 0.027 0.000 2.663 151 S HA 0.256 4.724 4.470 -0.003 0.000 0.243 151 S C 0.137 174.714 174.600 -0.039 0.000 1.009 151 S CA -0.832 57.368 58.200 -0.000 0.000 0.988 151 S CB 0.177 63.377 63.200 -0.000 0.000 0.896 151 S HN 0.018 nan 8.310 nan 0.000 0.502 152 L N 0.992 122.171 121.223 -0.073 0.000 2.313 152 L HA 0.601 4.939 4.340 -0.003 0.000 0.268 152 L C -0.464 176.231 176.870 -0.291 0.000 1.010 152 L CA -0.857 53.823 54.840 -0.267 0.000 0.814 152 L CB 1.974 43.696 42.059 -0.561 0.000 1.304 152 L HN 0.017 nan 8.230 nan 0.000 0.441 153 T N 1.136 115.485 114.554 -0.341 0.000 2.801 153 T HA 0.462 4.810 4.350 -0.003 0.000 0.306 153 T C -0.586 173.943 174.700 -0.284 0.000 1.020 153 T CA -0.221 61.764 62.100 -0.193 0.000 0.948 153 T CB -0.021 68.783 68.868 -0.106 0.000 0.962 153 T HN 0.080 nan 8.240 nan 0.000 0.465 154 F N 3.288 123.249 119.950 0.018 0.000 2.411 154 F HA 0.281 4.806 4.527 -0.003 0.000 0.355 154 F C 1.262 177.098 175.800 0.060 0.000 1.117 154 F CA -1.151 56.877 58.000 0.047 0.000 1.139 154 F CB 0.560 39.612 39.000 0.087 0.000 1.120 154 F HN 0.441 nan 8.300 nan 0.000 0.493 155 N N 2.752 121.576 118.700 0.207 0.000 2.132 155 N HA -0.158 4.580 4.740 -0.003 0.000 0.280 155 N C 1.127 176.741 175.510 0.173 0.000 1.318 155 N CA 0.953 54.094 53.050 0.151 0.000 0.822 155 N CB 0.813 39.380 38.487 0.133 0.000 1.058 155 N HN 0.908 nan 8.380 nan 0.000 0.489 156 E N 2.935 123.191 120.200 0.094 0.000 2.153 156 E HA -0.148 4.200 4.350 -0.003 0.000 0.194 156 E C 1.755 178.372 176.600 0.027 0.000 0.988 156 E CA 1.896 58.327 56.400 0.052 0.000 0.811 156 E CB -0.787 28.928 29.700 0.024 0.000 0.746 156 E HN 0.812 nan 8.360 nan 0.000 0.466 157 T N -0.526 114.054 114.554 0.043 0.000 2.737 157 T HA -0.086 4.262 4.350 -0.003 0.000 0.265 157 T C 1.855 176.566 174.700 0.018 0.000 1.038 157 T CA 1.207 63.318 62.100 0.019 0.000 1.144 157 T CB -0.522 68.363 68.868 0.028 0.000 0.866 157 T HN 0.594 nan 8.240 nan 0.000 0.434 158 Y N 1.816 122.098 120.300 -0.030 0.000 2.114 158 Y HA -0.214 4.334 4.550 -0.003 0.000 0.282 158 Y C 2.593 178.455 175.900 -0.064 0.000 1.165 158 Y CA 1.569 59.642 58.100 -0.044 0.000 1.148 158 Y CB -0.539 37.914 38.460 -0.011 0.000 0.972 158 Y HN 0.201 nan 8.280 nan 0.000 0.504 159 Q N -0.266 119.411 119.800 -0.205 0.000 2.084 159 Q HA -0.195 4.143 4.340 -0.003 0.000 0.202 159 Q C 1.681 177.513 176.000 -0.280 0.000 0.978 159 Q CA 1.732 57.348 55.803 -0.312 0.000 0.844 159 Q CB -0.070 28.602 28.738 -0.111 0.000 0.898 159 Q HN 0.585 nan 8.270 nan 0.000 0.426 160 D N 0.031 120.325 120.400 -0.178 0.000 2.183 160 D HA -0.096 4.542 4.640 -0.003 0.000 0.203 160 D C 1.825 178.020 176.300 -0.174 0.000 0.969 160 D CA 0.811 54.722 54.000 -0.149 0.000 0.842 160 D CB -0.015 40.728 40.800 -0.094 0.000 0.957 160 D HN 0.331 nan 8.370 nan 0.000 0.484 161 I N 1.010 121.460 120.570 -0.199 0.000 2.286 161 I HA -0.207 3.961 4.170 -0.003 0.000 0.245 161 I C 2.333 178.295 176.117 -0.259 0.000 1.104 161 I CA 0.579 61.752 61.300 -0.211 0.000 1.397 161 I CB -0.102 37.778 38.000 -0.201 0.000 1.072 161 I HN -0.123 nan 8.210 nan 0.000 0.417 162 S N 0.400 115.902 115.700 -0.330 0.000 2.359 162 S HA -0.294 4.174 4.470 -0.003 0.000 0.223 162 S C 1.949 176.436 174.600 -0.188 0.000 1.039 162 S CA 1.863 59.899 58.200 -0.273 0.000 1.042 162 S CB -0.369 62.536 63.200 -0.491 0.000 0.915 162 S HN 0.489 nan 8.310 nan 0.000 0.439 163 E N 0.437 120.510 120.200 -0.212 0.000 2.204 163 E HA -0.117 4.231 4.350 -0.003 0.000 0.194 163 E C 1.992 178.512 176.600 -0.133 0.000 0.989 163 E CA 0.603 56.908 56.400 -0.158 0.000 0.824 163 E CB -0.097 29.509 29.700 -0.156 0.000 0.756 163 E HN 0.376 nan 8.360 nan 0.000 0.477 164 L N -0.097 121.034 121.223 -0.152 0.000 2.007 164 L HA -0.096 4.242 4.340 -0.003 0.000 0.205 164 L C 2.122 178.889 176.870 -0.171 0.000 1.073 164 L CA 1.441 56.199 54.840 -0.135 0.000 0.744 164 L CB -0.366 41.617 42.059 -0.127 0.000 0.898 164 L HN 0.034 nan 8.230 nan 0.000 0.435 165 V N -1.386 118.360 119.914 -0.279 0.000 2.446 165 V HA -0.162 3.956 4.120 -0.003 0.000 0.244 165 V C 1.789 177.556 176.094 -0.546 0.000 1.039 165 V CA 1.406 63.429 62.300 -0.461 0.000 1.045 165 V CB -0.727 30.667 31.823 -0.716 0.000 0.681 165 V HN 0.449 nan 8.190 nan 0.000 0.459 166 Y N 0.274 120.491 120.300 -0.138 0.000 2.444 166 Y HA 0.519 5.067 4.550 -0.003 0.000 0.249 166 Y C 1.900 177.725 175.900 -0.125 0.000 1.134 166 Y CA -0.110 57.904 58.100 -0.144 0.000 1.261 166 Y CB -0.025 38.313 38.460 -0.203 0.000 1.143 166 Y HN 0.295 nan 8.280 nan 0.000 0.523 167 G N 1.001 109.789 108.800 -0.021 0.000 2.221 167 G HA2 -0.148 3.810 3.960 -0.003 0.000 0.265 167 G HA3 -0.148 3.810 3.960 -0.003 0.000 0.265 167 G C 0.083 174.948 174.900 -0.058 0.000 1.041 167 G CA 0.207 45.283 45.100 -0.040 0.000 0.807 167 G HN 0.628 nan 8.290 nan 0.000 0.502 168 A N 0.145 122.908 122.820 -0.095 0.000 2.280 168 A HA 0.696 5.014 4.320 -0.003 0.000 0.320 168 A C 0.620 178.053 177.584 -0.252 0.000 1.366 168 A CA -0.332 51.599 52.037 -0.176 0.000 0.938 168 A CB 0.562 19.446 19.000 -0.194 0.000 1.157 168 A HN 0.407 nan 8.150 nan 0.000 0.536 169 K N 1.222 121.461 120.400 -0.268 0.000 2.138 169 K HA 0.365 4.683 4.320 -0.003 0.000 0.251 169 K C -0.477 175.878 176.600 -0.407 0.000 1.015 169 K CA -0.360 55.756 56.287 -0.285 0.000 0.917 169 K CB 1.086 33.447 32.500 -0.231 0.000 1.021 169 K HN 0.637 nan 8.250 nan 0.000 0.485 170 L N 2.854 123.853 121.223 -0.373 0.000 2.603 170 L HA 0.120 4.458 4.340 -0.003 0.000 0.242 170 L C -0.182 176.444 176.870 -0.407 0.000 1.169 170 L CA -0.284 54.291 54.840 -0.442 0.000 1.029 170 L CB 0.481 42.300 42.059 -0.400 0.000 1.361 170 L HN 0.589 nan 8.230 nan 0.000 0.439 171 Q N 3.575 123.065 119.800 -0.516 0.000 2.263 171 Q HA 0.137 4.476 4.340 -0.003 0.000 0.289 171 Q C -2.299 173.548 176.000 -0.255 0.000 1.061 171 Q CA -1.159 54.422 55.803 -0.370 0.000 0.927 171 Q CB 0.846 29.326 28.738 -0.432 0.000 1.154 171 Q HN 0.287 nan 8.270 nan 0.000 0.378 172 P HA 0.288 nan 4.420 nan 0.000 0.290 172 P C -1.050 176.157 177.300 -0.156 0.000 1.276 172 P CA -0.143 62.881 63.100 -0.127 0.000 0.808 172 P CB 0.858 32.515 31.700 -0.071 0.000 0.966 173 L N 1.823 122.872 121.223 -0.290 0.000 2.350 173 L HA 0.453 4.791 4.340 -0.003 0.000 0.260 173 L C -0.013 176.552 176.870 -0.508 0.000 1.015 173 L CA -0.811 53.775 54.840 -0.423 0.000 0.821 173 L CB 2.183 43.866 42.059 -0.627 0.000 1.370 173 L HN 0.208 nan 8.230 nan 0.000 0.416 174 D N 0.563 120.760 120.400 -0.337 0.000 2.522 174 D HA 0.186 4.825 4.640 -0.003 0.000 0.218 174 D C 0.555 176.790 176.300 -0.109 0.000 1.149 174 D CA -0.119 53.770 54.000 -0.186 0.000 0.981 174 D CB 0.307 41.057 40.800 -0.083 0.000 1.041 174 D HN 0.192 nan 8.370 nan 0.000 0.518 175 F N 1.611 121.579 119.950 0.030 0.000 2.128 175 F HA 0.041 4.566 4.527 -0.003 0.000 0.295 175 F C 2.414 178.225 175.800 0.018 0.000 1.100 175 F CA 0.652 58.665 58.000 0.023 0.000 1.260 175 F CB -0.442 38.578 39.000 0.034 0.000 1.009 175 F HN 0.272 nan 8.300 nan 0.000 0.476 176 K N 0.322 120.849 120.400 0.211 0.000 2.074 176 K HA -0.219 4.099 4.320 -0.003 0.000 0.209 176 K C 1.822 178.470 176.600 0.081 0.000 1.048 176 K CA 2.080 58.439 56.287 0.121 0.000 0.926 176 K CB -0.068 32.482 32.500 0.083 0.000 0.713 176 K HN 0.372 nan 8.250 nan 0.000 0.444 177 E N -0.455 119.783 120.200 0.064 0.000 2.601 177 E HA 0.103 4.451 4.350 -0.003 0.000 0.219 177 E C 0.323 176.947 176.600 0.039 0.000 0.964 177 E CA -0.235 56.190 56.400 0.042 0.000 1.050 177 E CB 0.410 30.124 29.700 0.023 0.000 1.068 177 E HN 0.258 nan 8.360 nan 0.000 0.496 178 N N -0.667 118.066 118.700 0.054 0.000 2.466 178 N HA 0.323 5.061 4.740 -0.003 0.000 0.272 178 N C 1.346 176.908 175.510 0.087 0.000 1.455 178 N CA 0.734 53.812 53.050 0.046 0.000 0.875 178 N CB 1.090 39.584 38.487 0.012 0.000 1.372 178 N HN 0.327 nan 8.380 nan 0.000 0.492 179 A N 1.174 124.068 122.820 0.124 0.000 1.929 179 A HA -0.340 3.978 4.320 -0.003 0.000 0.221 179 A C 2.189 179.835 177.584 0.102 0.000 1.211 179 A CA 2.915 55.046 52.037 0.156 0.000 0.657 179 A CB -0.744 18.311 19.000 0.092 0.000 0.827 179 A HN 0.494 nan 8.150 nan 0.000 0.462 180 E N -1.959 118.275 120.200 0.056 0.000 2.017 180 E HA -0.166 4.182 4.350 -0.003 0.000 0.193 180 E C 2.421 179.035 176.600 0.024 0.000 0.997 180 E CA 2.964 59.381 56.400 0.029 0.000 0.804 180 E CB -1.562 28.148 29.700 0.016 0.000 0.757 180 E HN 1.112 nan 8.360 nan 0.000 0.448 181 Q N 0.444 120.257 119.800 0.022 0.000 2.112 181 Q HA -0.201 4.137 4.340 -0.003 0.000 0.206 181 Q C 2.663 178.666 176.000 0.005 0.000 0.987 181 Q CA 2.461 58.269 55.803 0.008 0.000 0.858 181 Q CB -1.174 27.564 28.738 0.001 0.000 0.905 181 Q HN 0.641 nan 8.270 nan 0.000 0.420 182 S N -0.006 115.710 115.700 0.026 0.000 2.359 182 S HA -0.182 4.286 4.470 -0.003 0.000 0.224 182 S C 2.045 176.661 174.600 0.026 0.000 1.035 182 S CA 1.127 59.343 58.200 0.027 0.000 1.018 182 S CB -0.369 62.903 63.200 0.119 0.000 0.876 182 S HN 0.736 nan 8.310 nan 0.000 0.448 183 R N 1.454 121.984 120.500 0.049 0.000 2.112 183 R HA -0.200 4.138 4.340 -0.003 0.000 0.242 183 R C 2.373 178.639 176.300 -0.057 0.000 1.137 183 R CA 1.730 57.819 56.100 -0.017 0.000 0.944 183 R CB -0.662 29.622 30.300 -0.026 0.000 0.857 183 R HN 0.400 nan 8.270 nan 0.000 0.435 184 A N 0.430 123.229 122.820 -0.035 0.000 1.978 184 A HA -0.127 4.191 4.320 -0.003 0.000 0.220 184 A C 2.324 179.889 177.584 -0.031 0.000 1.170 184 A CA 1.762 53.780 52.037 -0.032 0.000 0.636 184 A CB -0.668 18.321 19.000 -0.019 0.000 0.810 184 A HN 0.615 nan 8.150 nan 0.000 0.448 185 A N 0.290 123.084 122.820 -0.042 0.000 1.858 185 A HA -0.090 4.228 4.320 -0.003 0.000 0.216 185 A C 2.117 179.664 177.584 -0.061 0.000 1.190 185 A CA 1.538 53.555 52.037 -0.034 0.000 0.617 185 A CB -0.636 18.335 19.000 -0.048 0.000 0.827 185 A HN 0.509 nan 8.150 nan 0.000 0.443 186 I N 0.009 120.434 120.570 -0.242 0.000 2.142 186 I HA -0.295 3.873 4.170 -0.003 0.000 0.240 186 I C 2.260 178.345 176.117 -0.054 0.000 1.078 186 I CA 1.425 62.481 61.300 -0.407 0.000 1.343 186 I CB -0.762 36.858 38.000 -0.634 0.000 1.046 186 I HN 0.310 nan 8.210 nan 0.000 0.405 187 N N 1.346 120.012 118.700 -0.057 0.000 2.036 187 N HA -0.265 4.473 4.740 -0.003 0.000 0.195 187 N C 1.819 177.345 175.510 0.025 0.000 1.037 187 N CA 1.584 54.628 53.050 -0.012 0.000 0.855 187 N CB -0.480 37.985 38.487 -0.037 0.000 1.033 187 N HN 0.376 nan 8.380 nan 0.000 0.423 188 K N -0.385 120.032 120.400 0.028 0.000 2.152 188 K HA -0.180 4.138 4.320 -0.003 0.000 0.206 188 K C 2.076 178.715 176.600 0.065 0.000 1.048 188 K CA 1.087 57.392 56.287 0.030 0.000 0.933 188 K CB -0.197 32.321 32.500 0.031 0.000 0.721 188 K HN 0.268 nan 8.250 nan 0.000 0.447 189 W N 0.425 121.702 121.300 -0.039 0.000 2.409 189 W HA -0.128 4.530 4.660 -0.003 0.000 0.299 189 W C 1.450 177.975 176.519 0.011 0.000 1.203 189 W CA 0.860 58.211 57.345 0.011 0.000 1.298 189 W CB -0.109 29.406 29.460 0.091 0.000 1.127 189 W HN -0.211 nan 8.180 nan 0.000 0.528 190 V N 0.363 120.383 119.914 0.177 0.000 2.720 190 V HA -0.269 3.849 4.120 -0.003 0.000 0.256 190 V C 2.366 178.364 176.094 -0.160 0.000 1.082 190 V CA 1.965 64.261 62.300 -0.006 0.000 1.101 190 V CB -0.977 30.930 31.823 0.140 0.000 0.693 190 V HN 0.295 nan 8.190 nan 0.000 0.479 191 S N 0.380 116.003 115.700 -0.128 0.000 2.335 191 S HA -0.188 4.280 4.470 -0.003 0.000 0.217 191 S C 2.149 176.618 174.600 -0.218 0.000 1.032 191 S CA 1.433 59.549 58.200 -0.140 0.000 0.985 191 S CB -0.464 62.680 63.200 -0.092 0.000 0.896 191 S HN 0.662 nan 8.310 nan 0.000 0.445 192 N N 1.277 119.822 118.700 -0.258 0.000 2.091 192 N HA -0.150 4.588 4.740 -0.003 0.000 0.193 192 N C 1.135 176.420 175.510 -0.375 0.000 1.021 192 N CA 1.277 54.152 53.050 -0.292 0.000 0.862 192 N CB -0.202 38.111 38.487 -0.290 0.000 1.018 192 N HN 0.291 nan 8.380 nan 0.000 0.429 193 K N -0.247 119.844 120.400 -0.515 0.000 2.486 193 K HA 0.031 4.349 4.320 -0.003 0.000 0.194 193 K C 1.160 177.580 176.600 -0.299 0.000 1.033 193 K CA 0.779 56.779 56.287 -0.477 0.000 1.004 193 K CB -0.201 31.874 32.500 -0.708 0.000 0.798 193 K HN 0.446 nan 8.250 nan 0.000 0.495 194 T N -1.589 112.828 114.554 -0.229 0.000 3.296 194 T HA 0.197 4.545 4.350 -0.003 0.000 0.285 194 T C -0.036 174.590 174.700 -0.123 0.000 1.014 194 T CA -0.417 61.654 62.100 -0.049 0.000 0.920 194 T CB 0.210 69.109 68.868 0.051 0.000 1.143 194 T HN -0.010 nan 8.240 nan 0.000 0.522 195 E N 0.623 120.636 120.200 -0.312 0.000 2.883 195 E HA -0.275 4.073 4.350 -0.003 0.000 0.271 195 E C 1.231 177.716 176.600 -0.191 0.000 1.049 195 E CA 1.269 57.498 56.400 -0.284 0.000 0.817 195 E CB -1.868 27.632 29.700 -0.332 0.000 1.407 195 E HN 1.232 nan 8.360 nan 0.000 0.434 196 G N -0.360 108.336 108.800 -0.174 0.000 2.176 196 G HA2 -0.401 3.557 3.960 -0.003 0.000 0.253 196 G HA3 -0.401 3.557 3.960 -0.003 0.000 0.253 196 G C 1.006 175.780 174.900 -0.209 0.000 0.979 196 G CA 0.571 45.575 45.100 -0.160 0.000 0.641 196 G HN 0.211 nan 8.290 nan 0.000 0.530 197 R N -0.090 120.241 120.500 -0.282 0.000 2.066 197 R HA 0.135 4.473 4.340 -0.003 0.000 0.232 197 R C 1.389 177.539 176.300 -0.250 0.000 1.131 197 R CA 1.023 56.794 56.100 -0.549 0.000 0.955 197 R CB -0.395 29.457 30.300 -0.747 0.000 0.851 197 R HN 0.472 nan 8.270 nan 0.000 0.432 198 I N 0.930 121.443 120.570 -0.095 0.000 2.331 198 I HA 0.135 4.303 4.170 -0.003 0.000 0.292 198 I C 0.919 177.015 176.117 -0.034 0.000 0.998 198 I CA 0.238 61.532 61.300 -0.010 0.000 1.267 198 I CB 1.582 39.598 38.000 0.027 0.000 1.386 198 I HN -0.012 nan 8.210 nan 0.000 0.476 199 T N 2.487 117.030 114.554 -0.018 0.000 2.954 199 T HA 0.118 4.466 4.350 -0.003 0.000 0.252 199 T C 0.605 175.291 174.700 -0.024 0.000 0.983 199 T CA 0.764 62.847 62.100 -0.027 0.000 0.941 199 T CB 0.413 69.263 68.868 -0.031 0.000 1.141 199 T HN 0.777 nan 8.240 nan 0.000 0.500 200 D N 1.200 121.588 120.400 -0.021 0.000 2.945 200 D HA 0.479 5.117 4.640 -0.003 0.000 0.340 200 D C 1.480 177.743 176.300 -0.062 0.000 1.240 200 D CA 0.330 54.304 54.000 -0.043 0.000 0.749 200 D CB -0.471 40.303 40.800 -0.044 0.000 1.217 200 D HN 0.210 nan 8.370 nan 0.000 0.514 201 V N -1.711 118.177 119.914 -0.044 0.000 2.332 201 V HA 0.002 4.120 4.120 -0.003 0.000 0.248 201 V C 1.235 177.254 176.094 -0.125 0.000 1.055 201 V CA 0.829 63.107 62.300 -0.038 0.000 1.038 201 V CB -0.787 31.044 31.823 0.014 0.000 0.651 201 V HN 0.651 nan 8.190 nan 0.000 0.450 202 I N 4.239 124.705 120.570 -0.173 0.000 2.287 202 I HA 0.312 4.480 4.170 -0.003 0.000 0.290 202 I C -2.186 173.690 176.117 -0.402 0.000 1.069 202 I CA -1.950 59.147 61.300 -0.339 0.000 1.237 202 I CB 1.131 39.022 38.000 -0.182 0.000 1.418 202 I HN 0.194 nan 8.210 nan 0.000 0.481 203 P HA -0.008 nan 4.420 nan 0.000 0.268 203 P C 0.096 177.228 177.300 -0.279 0.000 1.204 203 P CA -0.022 62.832 63.100 -0.410 0.000 0.768 203 P CB 1.054 32.470 31.700 -0.473 0.000 0.842 204 S N 2.541 118.148 115.700 -0.154 0.000 2.542 204 S HA -0.073 4.395 4.470 -0.003 0.000 0.287 204 S C 0.946 175.501 174.600 -0.074 0.000 1.315 204 S CA 1.138 59.281 58.200 -0.094 0.000 1.037 204 S CB -0.489 62.678 63.200 -0.056 0.000 0.822 204 S HN 0.495 nan 8.310 nan 0.000 0.513 205 E N -0.218 119.956 120.200 -0.044 0.000 3.916 205 E HA -0.293 4.055 4.350 -0.003 0.000 0.331 205 E C 1.215 177.812 176.600 -0.005 0.000 0.729 205 E CA 1.586 57.977 56.400 -0.015 0.000 1.222 205 E CB -2.249 27.451 29.700 0.000 0.000 1.633 205 E HN 1.066 nan 8.360 nan 0.000 0.437 206 A N -0.408 122.390 122.820 -0.037 0.000 1.929 206 A HA 0.264 4.582 4.320 -0.003 0.000 0.216 206 A C 1.429 179.014 177.584 0.002 0.000 1.176 206 A CA 1.351 53.401 52.037 0.022 0.000 0.628 206 A CB 0.264 19.222 19.000 -0.070 0.000 0.816 206 A HN 0.555 nan 8.150 nan 0.000 0.444 207 I N 1.219 121.756 120.570 -0.055 0.000 2.359 207 I HA 0.463 4.632 4.170 -0.003 0.000 0.294 207 I C -0.157 175.924 176.117 -0.059 0.000 0.987 207 I CA -0.631 60.600 61.300 -0.113 0.000 1.225 207 I CB 0.614 38.528 38.000 -0.144 0.000 1.366 207 I HN 0.763 nan 8.210 nan 0.000 0.466 208 N N 2.637 121.296 118.700 -0.068 0.000 3.278 208 N HA 0.504 5.242 4.740 -0.003 0.000 0.307 208 N C 0.966 176.487 175.510 0.019 0.000 1.551 208 N CA -0.046 53.001 53.050 -0.005 0.000 0.794 208 N CB 0.289 38.780 38.487 0.006 0.000 1.770 208 N HN 0.348 nan 8.380 nan 0.000 0.612 209 E N 0.038 120.265 120.200 0.045 0.000 2.114 209 E HA -0.110 4.238 4.350 -0.003 0.000 0.199 209 E C 1.532 178.170 176.600 0.062 0.000 1.008 209 E CA 1.948 58.387 56.400 0.065 0.000 0.810 209 E CB -1.056 28.674 29.700 0.050 0.000 0.739 209 E HN 0.537 nan 8.360 nan 0.000 0.456 210 L N 1.075 122.319 121.223 0.035 0.000 2.599 210 L HA 0.074 4.412 4.340 -0.003 0.000 0.230 210 L C 0.581 177.447 176.870 -0.006 0.000 1.141 210 L CA 0.001 54.861 54.840 0.032 0.000 0.877 210 L CB 0.124 42.210 42.059 0.045 0.000 1.009 210 L HN 0.120 nan 8.230 nan 0.000 0.447 211 T N -0.370 114.142 114.554 -0.070 0.000 2.799 211 T HA 0.081 4.430 4.350 -0.003 0.000 0.296 211 T C 1.238 175.851 174.700 -0.145 0.000 0.947 211 T CA -0.224 61.736 62.100 -0.233 0.000 1.141 211 T CB 2.119 70.664 68.868 -0.538 0.000 0.891 211 T HN -0.126 nan 8.240 nan 0.000 0.533 212 V N 3.621 123.487 119.914 -0.079 0.000 2.326 212 V HA 0.251 4.369 4.120 -0.003 0.000 0.238 212 V C 0.483 176.751 176.094 0.291 0.000 1.038 212 V CA 0.721 63.096 62.300 0.125 0.000 1.032 212 V CB -0.159 31.705 31.823 0.068 0.000 0.675 212 V HN 0.608 nan 8.190 nan 0.000 0.467 213 L N -1.082 120.207 121.223 0.110 0.000 2.359 213 L HA 0.745 5.083 4.340 -0.003 0.000 0.256 213 L C -1.454 175.415 176.870 -0.002 0.000 1.026 213 L CA -0.515 54.422 54.840 0.160 0.000 0.828 213 L CB 2.430 44.574 42.059 0.141 0.000 1.406 213 L HN -0.086 nan 8.230 nan 0.000 0.413 214 V N 3.563 123.526 119.914 0.081 0.000 2.577 214 V HA 0.409 4.527 4.120 -0.003 0.000 0.294 214 V C -0.803 175.343 176.094 0.086 0.000 1.052 214 V CA -0.455 61.874 62.300 0.049 0.000 0.891 214 V CB 1.499 33.367 31.823 0.076 0.000 1.017 214 V HN 0.580 nan 8.190 nan 0.000 0.436 215 L N 5.355 126.561 121.223 -0.029 0.000 2.326 215 L HA 0.722 5.060 4.340 -0.003 0.000 0.278 215 L C -0.148 176.708 176.870 -0.023 0.000 1.092 215 L CA -0.126 54.669 54.840 -0.075 0.000 0.810 215 L CB 1.395 43.343 42.059 -0.185 0.000 1.153 215 L HN 0.388 nan 8.230 nan 0.000 0.439 216 V N 2.052 121.970 119.914 0.007 0.000 2.760 216 V HA 0.502 4.620 4.120 -0.003 0.000 0.309 216 V C -0.735 175.418 176.094 0.098 0.000 1.077 216 V CA -0.710 61.651 62.300 0.101 0.000 0.910 216 V CB 2.164 34.147 31.823 0.266 0.000 1.008 216 V HN 0.838 nan 8.190 nan 0.000 0.424 217 N N 1.776 120.542 118.700 0.110 0.000 2.240 217 N HA 0.845 5.584 4.740 -0.003 0.000 0.302 217 N C -0.839 174.756 175.510 0.141 0.000 1.106 217 N CA -0.147 52.962 53.050 0.097 0.000 0.778 217 N CB 2.458 40.963 38.487 0.030 0.000 1.431 217 N HN 0.900 nan 8.380 nan 0.000 0.479 218 T N 0.019 114.643 114.554 0.116 0.000 2.916 218 T HA 0.647 4.995 4.350 -0.003 0.000 0.305 218 T C -0.723 174.024 174.700 0.078 0.000 1.119 218 T CA -0.718 61.437 62.100 0.092 0.000 1.008 218 T CB 0.608 69.495 68.868 0.032 0.000 1.129 218 T HN 0.365 nan 8.240 nan 0.000 0.480 219 I N 1.853 122.512 120.570 0.147 0.000 2.686 219 I HA 0.542 4.710 4.170 -0.003 0.000 0.295 219 I C -1.735 174.611 176.117 0.382 0.000 1.114 219 I CA -1.160 60.273 61.300 0.221 0.000 1.038 219 I CB 2.666 40.773 38.000 0.179 0.000 1.238 219 I HN 0.819 nan 8.210 nan 0.000 0.420 220 Y N 6.289 126.757 120.300 0.279 0.000 2.421 220 Y HA 0.621 5.169 4.550 -0.003 0.000 0.339 220 Y C -1.824 174.288 175.900 0.354 0.000 0.996 220 Y CA -0.888 57.372 58.100 0.267 0.000 1.046 220 Y CB 1.809 40.326 38.460 0.095 0.000 1.226 220 Y HN 0.434 nan 8.280 nan 0.000 0.445 221 F N 6.435 126.024 119.950 -0.602 0.000 2.576 221 F HA 0.754 5.279 4.527 -0.003 0.000 0.313 221 F C -1.852 173.555 175.800 -0.654 0.000 1.078 221 F CA -0.798 56.965 58.000 -0.394 0.000 0.921 221 F CB 1.714 40.606 39.000 -0.181 0.000 1.232 221 F HN 0.364 nan 8.300 nan 0.000 0.459 222 K N 3.355 122.868 120.400 -1.479 0.000 2.635 222 K HA 0.516 4.834 4.320 -0.003 0.000 0.266 222 K C -1.262 174.545 176.600 -1.322 0.000 1.033 222 K CA -0.310 55.294 56.287 -1.139 0.000 0.919 222 K CB 1.328 33.608 32.500 -0.366 0.000 1.289 222 K HN 1.005 nan 8.250 nan 0.000 0.463 223 G N 2.667 110.610 108.800 -1.429 0.000 2.658 223 G HA2 0.734 4.692 3.960 -0.003 0.000 0.292 223 G HA3 0.734 4.692 3.960 -0.003 0.000 0.292 223 G C -1.286 173.480 174.900 -0.223 0.000 1.320 223 G CA -0.683 43.934 45.100 -0.805 0.000 0.933 223 G HN 0.340 nan 8.290 nan 0.000 0.476 224 L N 0.003 121.266 121.223 0.067 0.000 2.346 224 L HA 0.422 4.760 4.340 -0.003 0.000 0.276 224 L C -0.548 176.434 176.870 0.187 0.000 1.006 224 L CA -0.823 54.053 54.840 0.059 0.000 0.817 224 L CB 2.097 44.197 42.059 0.067 0.000 1.272 224 L HN 0.611 nan 8.230 nan 0.000 0.421 225 W N 2.802 124.231 121.300 0.215 0.000 2.257 225 W HA 0.007 4.666 4.660 -0.002 0.000 0.337 225 W C 1.517 178.070 176.519 0.056 0.000 1.321 225 W CA -0.140 57.238 57.345 0.055 0.000 1.267 225 W CB 0.590 30.091 29.460 0.068 0.000 1.187 225 W HN 0.599 nan 8.180 nan 0.000 0.565 226 K N 1.454 122.035 120.400 0.302 0.000 2.209 226 K HA -0.162 4.156 4.320 -0.003 0.000 0.204 226 K C 0.701 177.360 176.600 0.099 0.000 1.048 226 K CA 1.183 57.567 56.287 0.162 0.000 0.940 226 K CB 0.037 32.600 32.500 0.104 0.000 0.729 226 K HN 0.252 nan 8.250 nan 0.000 0.451 227 S N 0.029 115.793 115.700 0.107 0.000 2.653 227 S HA 0.406 4.874 4.470 -0.003 0.000 0.272 227 S C -0.760 173.843 174.600 0.004 0.000 1.221 227 S CA -0.748 57.440 58.200 -0.020 0.000 1.149 227 S CB 0.984 64.069 63.200 -0.191 0.000 1.029 227 S HN 0.308 nan 8.310 nan 0.000 0.481 228 K N 3.316 123.773 120.400 0.095 0.000 2.319 228 K HA 0.513 4.831 4.320 -0.003 0.000 0.265 228 K C -0.518 176.094 176.600 0.019 0.000 1.000 228 K CA 0.127 56.526 56.287 0.188 0.000 0.943 228 K CB -0.073 32.555 32.500 0.214 0.000 0.950 228 K HN 0.601 nan 8.250 nan 0.000 0.485 229 F N 0.904 120.866 119.950 0.020 0.000 2.396 229 F HA 0.292 4.817 4.527 -0.004 0.000 0.343 229 F C 0.957 176.768 175.800 0.019 0.000 1.104 229 F CA -0.077 57.894 58.000 -0.048 0.000 1.161 229 F CB 1.862 40.816 39.000 -0.077 0.000 1.146 229 F HN 0.447 nan 8.300 nan 0.000 0.522 230 S N 4.969 120.776 115.700 0.179 0.000 2.523 230 S HA 0.162 4.630 4.470 -0.003 0.000 0.275 230 S C -1.697 172.993 174.600 0.150 0.000 1.281 230 S CA -0.975 57.308 58.200 0.138 0.000 1.050 230 S CB 1.310 64.567 63.200 0.095 0.000 0.937 230 S HN 0.402 nan 8.310 nan 0.000 0.492 231 P HA -0.116 nan 4.420 nan 0.000 0.216 231 P C 1.471 178.825 177.300 0.090 0.000 1.150 231 P CA 0.758 63.918 63.100 0.100 0.000 0.837 231 P CB 0.087 31.836 31.700 0.081 0.000 0.786 232 E N -0.445 119.807 120.200 0.087 0.000 2.086 232 E HA -0.222 4.126 4.350 -0.003 0.000 0.200 232 E C 1.698 178.351 176.600 0.087 0.000 1.012 232 E CA 1.540 57.986 56.400 0.076 0.000 0.812 232 E CB -1.611 28.131 29.700 0.070 0.000 0.743 232 E HN 0.521 nan 8.360 nan 0.000 0.453 233 N N 0.307 119.085 118.700 0.130 0.000 2.550 233 N HA -0.032 4.706 4.740 -0.003 0.000 0.186 233 N C 0.468 176.067 175.510 0.148 0.000 1.110 233 N CA 0.513 53.663 53.050 0.166 0.000 0.912 233 N CB -0.115 38.584 38.487 0.353 0.000 0.968 233 N HN 0.261 nan 8.380 nan 0.000 0.448 234 T N 1.544 116.169 114.554 0.118 0.000 2.851 234 T HA 0.495 4.843 4.350 -0.003 0.000 0.298 234 T C 0.756 175.495 174.700 0.065 0.000 0.977 234 T CA -0.125 62.027 62.100 0.087 0.000 1.126 234 T CB 0.958 69.862 68.868 0.060 0.000 0.916 234 T HN 0.354 nan 8.240 nan 0.000 0.529 235 R N 0.549 121.086 120.500 0.062 0.000 2.740 235 R HA 0.832 5.170 4.340 -0.003 0.000 0.273 235 R C -0.275 176.052 176.300 0.045 0.000 0.998 235 R CA -0.677 55.451 56.100 0.046 0.000 0.900 235 R CB -0.035 30.287 30.300 0.036 0.000 1.223 235 R HN 0.901 nan 8.270 nan 0.000 0.466 236 K N 0.424 120.847 120.400 0.038 0.000 2.180 236 K HA 0.645 4.963 4.320 -0.003 0.000 0.251 236 K C 0.174 176.800 176.600 0.043 0.000 1.014 236 K CA 0.516 56.828 56.287 0.041 0.000 0.913 236 K CB 0.535 33.057 32.500 0.036 0.000 1.008 236 K HN 1.114 nan 8.250 nan 0.000 0.490 237 E N -0.050 120.183 120.200 0.054 0.000 2.388 237 E HA 0.349 4.697 4.350 -0.003 0.000 0.281 237 E C -1.594 175.059 176.600 0.089 0.000 1.046 237 E CA -0.595 55.840 56.400 0.059 0.000 0.825 237 E CB 1.227 30.962 29.700 0.059 0.000 1.243 237 E HN 0.453 nan 8.360 nan 0.000 0.438 238 L N 3.477 124.753 121.223 0.088 0.000 2.326 238 L HA 0.434 4.772 4.340 -0.003 0.000 0.278 238 L C -0.536 176.442 176.870 0.181 0.000 1.092 238 L CA -0.627 54.287 54.840 0.123 0.000 0.810 238 L CB 0.652 42.768 42.059 0.094 0.000 1.153 238 L HN 0.478 nan 8.230 nan 0.000 0.439 239 F N 4.026 124.010 119.950 0.057 0.000 2.347 239 F HA 0.259 4.784 4.527 -0.003 0.000 0.366 239 F C -0.481 175.378 175.800 0.098 0.000 1.107 239 F CA -0.703 57.337 58.000 0.067 0.000 1.058 239 F CB 0.601 39.623 39.000 0.037 0.000 1.236 239 F HN 0.269 nan 8.300 nan 0.000 0.456 240 Y N 6.912 127.006 120.300 -0.343 0.000 2.587 240 Y HA 0.235 4.784 4.550 -0.003 0.000 0.344 240 Y C -0.009 175.710 175.900 -0.302 0.000 1.061 240 Y CA -0.170 57.786 58.100 -0.239 0.000 1.370 240 Y CB 0.211 38.539 38.460 -0.219 0.000 1.163 240 Y HN 0.480 nan 8.280 nan 0.000 0.527 241 K N 5.256 125.475 120.400 -0.302 0.000 2.249 241 K HA 0.387 4.705 4.320 -0.003 0.000 0.280 241 K C 1.159 177.590 176.600 -0.282 0.000 1.033 241 K CA 0.217 56.428 56.287 -0.127 0.000 0.946 241 K CB 1.182 33.688 32.500 0.009 0.000 1.005 241 K HN 0.846 nan 8.250 nan 0.000 0.469 242 A N 3.907 126.669 122.820 -0.096 0.000 1.916 242 A HA -0.395 3.923 4.320 -0.003 0.000 0.224 242 A C 1.680 179.205 177.584 -0.098 0.000 1.366 242 A CA 2.778 54.782 52.037 -0.055 0.000 0.692 242 A CB -1.133 17.866 19.000 -0.001 0.000 0.841 242 A HN 1.042 nan 8.150 nan 0.000 0.480 243 D N -2.345 117.990 120.400 -0.109 0.000 2.205 243 D HA 0.159 4.797 4.640 -0.003 0.000 0.190 243 D C 1.473 177.683 176.300 -0.151 0.000 1.002 243 D CA 2.731 56.672 54.000 -0.099 0.000 0.848 243 D CB -0.678 40.072 40.800 -0.084 0.000 0.975 243 D HN 0.942 nan 8.370 nan 0.000 0.449 244 G N -0.799 107.808 108.800 -0.323 0.000 3.989 244 G HA2 -0.047 3.911 3.960 -0.003 0.000 0.183 244 G HA3 -0.047 3.911 3.960 -0.003 0.000 0.183 244 G C -0.155 174.421 174.900 -0.540 0.000 0.892 244 G CA 0.160 45.016 45.100 -0.406 0.000 0.914 244 G HN 0.606 nan 8.290 nan 0.000 0.347 245 E N 1.221 121.246 120.200 -0.290 0.000 2.397 245 E HA 0.638 4.987 4.350 -0.003 0.000 0.254 245 E C 0.207 176.681 176.600 -0.209 0.000 1.231 245 E CA 0.138 56.432 56.400 -0.176 0.000 0.954 245 E CB 1.219 30.872 29.700 -0.077 0.000 1.024 245 E HN 0.683 nan 8.360 nan 0.000 0.481 246 S N -0.887 114.775 115.700 -0.063 0.000 2.607 246 S HA 0.668 5.136 4.470 -0.003 0.000 0.273 246 S C -0.258 174.381 174.600 0.065 0.000 1.148 246 S CA -0.568 57.641 58.200 0.015 0.000 0.833 246 S CB 0.416 63.660 63.200 0.074 0.000 1.130 246 S HN 0.996 nan 8.310 nan 0.000 0.470 247 c N 0.105 118.775 118.600 0.117 0.000 3.018 247 c HA 0.974 5.542 4.570 -0.003 0.000 0.393 247 c C 0.462 174.618 174.090 0.109 0.000 2.195 247 c CA -0.657 55.725 56.329 0.089 0.000 1.696 247 c CB 0.791 43.337 42.510 0.060 0.000 2.455 247 c HN 1.001 nan 8.230 nan 0.000 0.478 248 S N -0.305 115.439 115.700 0.074 0.000 2.532 248 S HA 0.806 5.275 4.470 -0.003 0.000 0.301 248 S C -0.440 174.191 174.600 0.051 0.000 1.083 248 S CA 0.211 58.455 58.200 0.073 0.000 1.025 248 S CB 1.107 64.338 63.200 0.052 0.000 1.056 248 S HN 1.605 nan 8.310 nan 0.000 0.494 249 A N 2.338 125.195 122.820 0.063 0.000 2.437 249 A HA 0.853 5.171 4.320 -0.003 0.000 0.292 249 A C -0.811 176.800 177.584 0.046 0.000 1.173 249 A CA -0.746 51.313 52.037 0.037 0.000 0.785 249 A CB 1.565 20.587 19.000 0.037 0.000 1.351 249 A HN 0.740 nan 8.150 nan 0.000 0.431 250 S N 1.456 117.181 115.700 0.042 0.000 2.622 250 S HA 0.352 4.821 4.470 -0.003 0.000 0.283 250 S C -0.544 174.077 174.600 0.035 0.000 1.197 250 S CA -0.464 57.761 58.200 0.041 0.000 1.146 250 S CB 0.375 63.597 63.200 0.036 0.000 1.007 250 S HN 0.545 nan 8.310 nan 0.000 0.478 251 M N 3.957 123.587 119.600 0.049 0.000 2.194 251 M HA 0.318 4.796 4.480 -0.003 0.000 0.347 251 M C 0.122 176.455 176.300 0.055 0.000 1.439 251 M CA 0.382 55.717 55.300 0.060 0.000 1.131 251 M CB -0.268 32.398 32.600 0.110 0.000 1.733 251 M HN 0.524 nan 8.290 nan 0.000 0.467 252 M N 2.963 122.538 119.600 -0.042 0.000 2.245 252 M HA 0.383 4.861 4.480 -0.003 0.000 0.292 252 M C -0.691 175.656 176.300 0.079 0.000 1.176 252 M CA -0.342 54.905 55.300 -0.088 0.000 1.035 252 M CB 1.034 33.303 32.600 -0.552 0.000 1.440 252 M HN 0.564 nan 8.290 nan 0.000 0.494 253 Y N 0.719 121.067 120.300 0.081 0.000 2.558 253 Y HA 0.475 5.024 4.550 -0.002 0.000 0.333 253 Y C -1.616 174.323 175.900 0.065 0.000 1.125 253 Y CA -0.629 57.449 58.100 -0.037 0.000 1.039 253 Y CB 1.547 39.898 38.460 -0.180 0.000 1.331 253 Y HN 0.753 nan 8.280 nan 0.000 0.456 254 Q N 1.960 120.925 119.800 -1.391 0.000 2.791 254 Q HA 0.707 5.045 4.340 -0.003 0.000 0.280 254 Q C -2.213 173.242 176.000 -0.909 0.000 0.928 254 Q CA -0.543 54.598 55.803 -1.105 0.000 0.819 254 Q CB 1.235 29.527 28.738 -0.744 0.000 1.552 254 Q HN 0.929 nan 8.270 nan 0.000 0.410 255 E N -0.280 119.609 120.200 -0.518 0.000 2.336 255 E HA 0.902 5.250 4.350 -0.003 0.000 0.267 255 E C -0.001 176.532 176.600 -0.112 0.000 0.906 255 E CA -0.512 55.743 56.400 -0.242 0.000 0.781 255 E CB 2.072 31.689 29.700 -0.138 0.000 1.261 255 E HN 1.458 nan 8.360 nan 0.000 0.436 256 G N -0.422 108.359 108.800 -0.031 0.000 2.343 256 G HA2 0.434 4.392 3.960 -0.003 0.000 0.289 256 G HA3 0.434 4.392 3.960 -0.003 0.000 0.289 256 G C -1.081 173.733 174.900 -0.145 0.000 1.295 256 G CA -0.196 44.824 45.100 -0.132 0.000 0.869 256 G HN 0.663 nan 8.290 nan 0.000 0.522 257 K N -0.416 119.790 120.400 -0.324 0.000 2.234 257 K HA 0.754 5.072 4.320 -0.003 0.000 0.282 257 K C -1.230 175.056 176.600 -0.524 0.000 1.039 257 K CA -0.270 55.859 56.287 -0.262 0.000 0.928 257 K CB 0.699 33.081 32.500 -0.198 0.000 1.039 257 K HN 0.435 nan 8.250 nan 0.000 0.470 258 F N 0.314 120.221 119.950 -0.071 0.000 2.601 258 F HA 0.424 4.948 4.527 -0.004 0.000 0.309 258 F C 0.599 176.408 175.800 0.015 0.000 1.089 258 F CA -1.130 56.839 58.000 -0.053 0.000 0.940 258 F CB 1.865 40.804 39.000 -0.102 0.000 1.273 258 F HN 0.263 nan 8.300 nan 0.000 0.450 259 R N 1.898 122.536 120.500 0.229 0.000 2.401 259 R HA 0.337 4.675 4.340 -0.003 0.000 0.299 259 R C -1.410 175.033 176.300 0.239 0.000 1.064 259 R CA -0.125 56.079 56.100 0.173 0.000 1.000 259 R CB 0.694 31.069 30.300 0.124 0.000 0.973 259 R HN 0.650 nan 8.270 nan 0.000 0.438 260 Y N 1.538 121.861 120.300 0.039 0.000 2.689 260 Y HA 0.570 5.118 4.550 -0.003 0.000 0.333 260 Y C -1.481 174.405 175.900 -0.023 0.000 1.190 260 Y CA -1.402 56.698 58.100 0.001 0.000 1.063 260 Y CB 1.844 40.303 38.460 -0.001 0.000 1.294 260 Y HN 0.545 nan 8.280 nan 0.000 0.466 261 R N 2.591 122.387 120.500 -1.173 0.000 3.971 261 R HA 0.321 4.659 4.340 -0.003 0.000 0.243 261 R C -2.487 173.198 176.300 -1.025 0.000 1.054 261 R CA -0.612 54.949 56.100 -0.899 0.000 1.243 261 R CB 0.783 30.846 30.300 -0.396 0.000 1.244 261 R HN 0.830 nan 8.270 nan 0.000 0.547 262 R N 4.111 124.161 120.500 -0.750 0.000 2.229 262 R HA 0.514 4.852 4.340 -0.003 0.000 0.332 262 R C -0.127 175.983 176.300 -0.317 0.000 0.989 262 R CA -0.541 55.295 56.100 -0.440 0.000 0.842 262 R CB 0.935 31.116 30.300 -0.198 0.000 1.119 262 R HN 0.536 nan 8.270 nan 0.000 0.456 263 V N 2.416 122.116 119.914 -0.357 0.000 3.051 263 V HA 0.296 4.414 4.120 -0.003 0.000 0.306 263 V C 1.426 177.443 176.094 -0.127 0.000 1.083 263 V CA 0.327 62.467 62.300 -0.267 0.000 1.104 263 V CB 1.024 32.597 31.823 -0.417 0.000 1.027 263 V HN 0.943 nan 8.190 nan 0.000 0.483 264 A N 1.045 123.836 122.820 -0.048 0.000 2.084 264 A HA -0.122 4.196 4.320 -0.003 0.000 0.221 264 A C 1.996 179.575 177.584 -0.008 0.000 1.161 264 A CA 1.941 53.969 52.037 -0.015 0.000 0.653 264 A CB -0.736 18.274 19.000 0.017 0.000 0.802 264 A HN 1.065 nan 8.150 nan 0.000 0.457 265 E N -2.236 117.962 120.200 -0.003 0.000 2.427 265 E HA 0.287 4.635 4.350 -0.003 0.000 0.196 265 E C 1.526 178.112 176.600 -0.023 0.000 1.028 265 E CA 0.789 57.194 56.400 0.009 0.000 0.864 265 E CB -0.495 29.238 29.700 0.054 0.000 0.813 265 E HN 1.618 nan 8.360 nan 0.000 0.514 266 G N 0.357 109.120 108.800 -0.061 0.000 2.179 266 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.220 266 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.220 266 G C 0.567 175.412 174.900 -0.092 0.000 0.990 266 G CA 0.207 45.270 45.100 -0.062 0.000 0.646 266 G HN 0.457 nan 8.290 nan 0.000 0.517 267 T N 1.638 116.101 114.554 -0.152 0.000 2.913 267 T HA 0.531 4.879 4.350 -0.003 0.000 0.297 267 T C 0.265 174.791 174.700 -0.290 0.000 1.029 267 T CA 0.130 62.104 62.100 -0.209 0.000 1.104 267 T CB 1.550 70.236 68.868 -0.303 0.000 0.964 267 T HN 0.394 nan 8.240 nan 0.000 0.532 268 Q N 1.118 120.799 119.800 -0.198 0.000 2.245 268 Q HA 0.615 4.953 4.340 -0.003 0.000 0.256 268 Q C -1.123 174.762 176.000 -0.192 0.000 0.942 268 Q CA -0.803 54.910 55.803 -0.151 0.000 0.896 268 Q CB 1.938 30.725 28.738 0.081 0.000 1.272 268 Q HN 0.368 nan 8.270 nan 0.000 0.442 269 V N 3.628 123.399 119.914 -0.239 0.000 2.482 269 V HA 0.396 4.514 4.120 -0.003 0.000 0.295 269 V C -1.178 174.926 176.094 0.016 0.000 1.026 269 V CA -0.728 61.474 62.300 -0.163 0.000 0.856 269 V CB 1.546 33.198 31.823 -0.284 0.000 1.001 269 V HN 0.541 nan 8.190 nan 0.000 0.424 270 L N 4.008 125.289 121.223 0.098 0.000 2.362 270 L HA 0.692 5.030 4.340 -0.003 0.000 0.275 270 L C -0.430 176.500 176.870 0.101 0.000 0.998 270 L CA -0.106 54.818 54.840 0.141 0.000 0.820 270 L CB 1.962 44.048 42.059 0.045 0.000 1.270 270 L HN 0.779 nan 8.230 nan 0.000 0.415 271 E N 4.953 125.233 120.200 0.134 0.000 2.133 271 E HA 0.447 4.795 4.350 -0.003 0.000 0.274 271 E C -1.601 175.121 176.600 0.203 0.000 0.930 271 E CA -0.554 55.942 56.400 0.161 0.000 0.770 271 E CB 1.070 30.866 29.700 0.159 0.000 1.104 271 E HN 0.724 nan 8.360 nan 0.000 0.403 272 L N 7.699 129.033 121.223 0.185 0.000 2.313 272 L HA 0.414 4.752 4.340 -0.003 0.000 0.273 272 L C -2.096 174.918 176.870 0.241 0.000 1.028 272 L CA -2.072 52.884 54.840 0.194 0.000 0.871 272 L CB 1.044 43.061 42.059 -0.070 0.000 1.242 272 L HN 0.403 nan 8.230 nan 0.000 0.434 273 P HA 0.125 nan 4.420 nan 0.000 0.272 273 P C -0.908 176.476 177.300 0.139 0.000 1.230 273 P CA -0.026 63.193 63.100 0.198 0.000 0.788 273 P CB 0.784 32.588 31.700 0.173 0.000 0.949 274 F N -0.105 120.025 119.950 0.301 0.000 2.470 274 F HA 0.344 4.869 4.527 -0.003 0.000 0.329 274 F C 1.351 177.256 175.800 0.175 0.000 1.072 274 F CA -0.829 57.310 58.000 0.232 0.000 0.989 274 F CB 1.055 40.190 39.000 0.224 0.000 1.193 274 F HN 0.081 nan 8.300 nan 0.000 0.481 275 K N 1.303 121.896 120.400 0.321 0.000 2.473 275 K HA 0.235 4.553 4.320 -0.003 0.000 0.277 275 K C 0.794 177.509 176.600 0.192 0.000 1.052 275 K CA 1.296 57.705 56.287 0.203 0.000 1.114 275 K CB -0.297 32.294 32.500 0.151 0.000 0.869 275 K HN 0.956 nan 8.250 nan 0.000 0.481 276 G N 2.703 111.594 108.800 0.152 0.000 2.541 276 G HA2 -0.224 3.735 3.960 -0.003 0.000 0.201 276 G HA3 -0.224 3.735 3.960 -0.003 0.000 0.201 276 G C 0.071 175.050 174.900 0.131 0.000 1.026 276 G CA -0.013 45.167 45.100 0.132 0.000 0.687 276 G HN 0.787 nan 8.290 nan 0.000 0.492 277 D N -0.289 120.212 120.400 0.167 0.000 3.028 277 D HA -0.171 4.468 4.640 -0.003 0.000 0.207 277 D C 0.784 177.173 176.300 0.148 0.000 1.100 277 D CA 1.553 55.645 54.000 0.153 0.000 0.995 277 D CB -1.839 39.024 40.800 0.106 0.000 1.108 277 D HN 0.553 nan 8.370 nan 0.000 0.421 278 D N -0.334 120.158 120.400 0.154 0.000 2.240 278 D HA 0.149 4.787 4.640 -0.003 0.000 0.206 278 D C 1.188 177.571 176.300 0.139 0.000 0.963 278 D CA 0.588 54.663 54.000 0.125 0.000 0.863 278 D CB 0.987 41.850 40.800 0.106 0.000 0.973 278 D HN 0.339 nan 8.370 nan 0.000 0.501 279 I N 1.022 121.713 120.570 0.201 0.000 2.418 279 I HA 0.372 4.540 4.170 -0.003 0.000 0.287 279 I C -0.199 176.201 176.117 0.471 0.000 1.008 279 I CA -0.471 60.955 61.300 0.209 0.000 1.104 279 I CB 2.174 40.204 38.000 0.050 0.000 1.264 279 I HN 0.067 nan 8.210 nan 0.000 0.438 280 T N 3.224 118.026 114.554 0.413 0.000 2.906 280 T HA 0.622 4.970 4.350 -0.003 0.000 0.295 280 T C -0.606 174.383 174.700 0.481 0.000 1.061 280 T CA -0.866 61.514 62.100 0.466 0.000 1.000 280 T CB 2.333 71.373 68.868 0.286 0.000 1.103 280 T HN 0.540 nan 8.240 nan 0.000 0.486 281 M N 2.373 122.258 119.600 0.475 0.000 2.367 281 M HA 0.682 5.161 4.480 -0.003 0.000 0.339 281 M C -1.727 174.790 176.300 0.361 0.000 1.177 281 M CA -0.763 54.836 55.300 0.499 0.000 1.068 281 M CB 1.295 34.261 32.600 0.611 0.000 1.602 281 M HN 0.584 nan 8.290 nan 0.000 0.457 282 V N 6.138 126.274 119.914 0.369 0.000 2.443 282 V HA 0.420 4.538 4.120 -0.003 0.000 0.293 282 V C -0.387 175.911 176.094 0.339 0.000 1.021 282 V CA -0.695 61.766 62.300 0.267 0.000 0.848 282 V CB 1.659 33.562 31.823 0.134 0.000 0.998 282 V HN 0.815 nan 8.190 nan 0.000 0.424 283 L N 5.693 127.073 121.223 0.263 0.000 2.379 283 L HA 0.654 4.992 4.340 -0.003 0.000 0.269 283 L C -0.566 176.444 176.870 0.233 0.000 1.084 283 L CA -0.559 54.470 54.840 0.315 0.000 0.802 283 L CB 1.591 43.773 42.059 0.205 0.000 1.175 283 L HN 0.450 nan 8.230 nan 0.000 0.448 284 I N 3.948 124.701 120.570 0.306 0.000 2.586 284 I HA 0.345 4.513 4.170 -0.003 0.000 0.288 284 I C -1.002 175.243 176.117 0.214 0.000 1.147 284 I CA -0.433 60.978 61.300 0.186 0.000 1.047 284 I CB 2.007 40.139 38.000 0.220 0.000 1.244 284 I HN 0.414 nan 8.210 nan 0.000 0.429 285 L N 5.845 127.126 121.223 0.097 0.000 2.438 285 L HA 0.734 5.072 4.340 -0.003 0.000 0.270 285 L C -2.839 174.051 176.870 0.033 0.000 0.972 285 L CA -1.863 53.038 54.840 0.102 0.000 0.831 285 L CB 2.055 44.141 42.059 0.045 0.000 1.273 285 L HN 0.209 nan 8.230 nan 0.000 0.405 286 P HA 0.192 nan 4.420 nan 0.000 0.277 286 P C -0.297 177.009 177.300 0.010 0.000 1.240 286 P CA -0.280 62.834 63.100 0.023 0.000 0.798 286 P CB 0.798 32.531 31.700 0.054 0.000 0.979 287 K N 3.331 123.728 120.400 -0.006 0.000 2.466 287 K HA 0.028 4.346 4.320 -0.003 0.000 0.278 287 K C -1.675 174.925 176.600 -0.000 0.000 1.048 287 K CA -0.366 55.916 56.287 -0.008 0.000 1.088 287 K CB -2.124 30.369 32.500 -0.011 0.000 0.884 287 K HN 0.425 nan 8.250 nan 0.000 0.478 288 P HA -0.333 nan 4.420 nan 0.000 0.222 288 P C 1.509 178.806 177.300 -0.005 0.000 1.152 288 P CA 2.399 65.494 63.100 -0.008 0.000 0.838 288 P CB 0.278 31.966 31.700 -0.021 0.000 0.771 289 E N -0.338 119.859 120.200 -0.004 0.000 2.011 289 E HA 0.076 4.424 4.350 -0.003 0.000 0.191 289 E C 1.485 178.089 176.600 0.007 0.000 0.979 289 E CA 1.468 57.866 56.400 -0.002 0.000 0.822 289 E CB -1.473 28.225 29.700 -0.004 0.000 0.782 289 E HN 0.364 nan 8.360 nan 0.000 0.459 290 K N 0.501 120.907 120.400 0.012 0.000 2.168 290 K HA 0.395 4.713 4.320 -0.003 0.000 0.244 290 K C 0.758 177.376 176.600 0.031 0.000 1.065 290 K CA 0.411 56.710 56.287 0.021 0.000 0.808 290 K CB -0.376 32.140 32.500 0.026 0.000 1.080 290 K HN 1.148 nan 8.250 nan 0.000 0.526 291 S N -1.301 114.424 115.700 0.041 0.000 2.599 291 S HA 0.563 5.031 4.470 -0.003 0.000 0.287 291 S C 0.963 175.606 174.600 0.072 0.000 1.105 291 S CA -0.833 57.398 58.200 0.052 0.000 0.899 291 S CB 1.361 64.585 63.200 0.042 0.000 1.100 291 S HN 0.442 nan 8.310 nan 0.000 0.482 292 L N 1.208 122.485 121.223 0.089 0.000 2.079 292 L HA -0.109 4.229 4.340 -0.003 0.000 0.210 292 L C 3.042 179.976 176.870 0.108 0.000 1.081 292 L CA 2.388 57.298 54.840 0.117 0.000 0.752 292 L CB -2.417 39.720 42.059 0.131 0.000 0.896 292 L HN 1.005 nan 8.230 nan 0.000 0.433 293 A N 0.773 123.638 122.820 0.075 0.000 1.896 293 A HA -0.363 3.955 4.320 -0.003 0.000 0.220 293 A C 2.674 180.289 177.584 0.053 0.000 1.206 293 A CA 3.438 55.506 52.037 0.051 0.000 0.647 293 A CB -0.888 18.128 19.000 0.027 0.000 0.828 293 A HN 0.440 nan 8.150 nan 0.000 0.455 294 K N -1.029 119.405 120.400 0.056 0.000 2.147 294 K HA 0.102 4.420 4.320 -0.003 0.000 0.205 294 K C 2.046 178.696 176.600 0.084 0.000 1.049 294 K CA 1.736 58.057 56.287 0.056 0.000 0.936 294 K CB -1.247 31.285 32.500 0.052 0.000 0.722 294 K HN 0.394 nan 8.250 nan 0.000 0.446 295 V N 1.466 121.452 119.914 0.119 0.000 2.300 295 V HA -0.193 3.925 4.120 -0.003 0.000 0.241 295 V C 2.335 178.526 176.094 0.162 0.000 1.034 295 V CA 1.720 64.127 62.300 0.180 0.000 1.021 295 V CB -0.461 31.501 31.823 0.232 0.000 0.662 295 V HN 0.660 nan 8.190 nan 0.000 0.458 296 E N 0.830 121.131 120.200 0.167 0.000 2.108 296 E HA -0.341 4.007 4.350 -0.003 0.000 0.203 296 E C 2.414 179.080 176.600 0.109 0.000 1.022 296 E CA 2.240 58.753 56.400 0.188 0.000 0.823 296 E CB -0.359 29.483 29.700 0.236 0.000 0.744 296 E HN 0.678 nan 8.360 nan 0.000 0.456 297 K N 1.744 122.177 120.400 0.054 0.000 2.097 297 K HA -0.197 4.121 4.320 -0.003 0.000 0.206 297 K C 1.680 178.273 176.600 -0.011 0.000 1.049 297 K CA 1.804 58.090 56.287 -0.001 0.000 0.933 297 K CB -0.947 31.545 32.500 -0.014 0.000 0.717 297 K HN 0.554 nan 8.250 nan 0.000 0.442 298 E N -0.065 120.139 120.200 0.007 0.000 2.489 298 E HA 0.071 4.419 4.350 -0.003 0.000 0.193 298 E C 0.308 176.868 176.600 -0.067 0.000 1.057 298 E CA -0.477 55.909 56.400 -0.024 0.000 0.866 298 E CB -0.318 29.381 29.700 -0.002 0.000 0.916 298 E HN 0.319 nan 8.360 nan 0.000 0.500 299 L N 2.904 124.106 121.223 -0.035 0.000 2.433 299 L HA 0.166 4.504 4.340 -0.003 0.000 0.275 299 L C -0.358 176.461 176.870 -0.085 0.000 1.128 299 L CA 0.684 55.481 54.840 -0.071 0.000 0.875 299 L CB 0.736 42.818 42.059 0.038 0.000 1.171 299 L HN 0.231 nan 8.230 nan 0.000 0.463 300 T N 1.816 116.280 114.554 -0.150 0.000 2.883 300 T HA 0.547 4.895 4.350 -0.003 0.000 0.296 300 T C -2.192 172.423 174.700 -0.143 0.000 1.117 300 T CA -1.603 60.424 62.100 -0.122 0.000 1.006 300 T CB 1.594 70.389 68.868 -0.121 0.000 1.191 300 T HN 0.263 nan 8.240 nan 0.000 0.508 301 P HA -0.162 nan 4.420 nan 0.000 0.217 301 P C 1.432 178.648 177.300 -0.140 0.000 1.151 301 P CA 1.247 64.281 63.100 -0.110 0.000 0.849 301 P CB 0.119 31.757 31.700 -0.104 0.000 0.787 302 E N -0.486 119.626 120.200 -0.146 0.000 2.028 302 E HA -0.106 4.243 4.350 -0.003 0.000 0.191 302 E C 2.197 178.659 176.600 -0.230 0.000 0.988 302 E CA 1.037 57.348 56.400 -0.148 0.000 0.799 302 E CB -1.598 28.030 29.700 -0.120 0.000 0.755 302 E HN 0.092 nan 8.360 nan 0.000 0.447 303 V N 2.270 121.982 119.914 -0.336 0.000 2.252 303 V HA -0.277 3.841 4.120 -0.003 0.000 0.249 303 V C 2.709 178.353 176.094 -0.750 0.000 1.056 303 V CA 1.789 63.715 62.300 -0.623 0.000 1.022 303 V CB -0.715 30.651 31.823 -0.762 0.000 0.641 303 V HN 0.159 nan 8.190 nan 0.000 0.445 304 L N -0.527 120.379 121.223 -0.527 0.000 1.990 304 L HA -0.281 4.057 4.340 -0.003 0.000 0.213 304 L C 2.710 179.490 176.870 -0.150 0.000 1.072 304 L CA 2.138 56.787 54.840 -0.318 0.000 0.755 304 L CB -0.436 41.495 42.059 -0.213 0.000 0.889 304 L HN 0.385 nan 8.230 nan 0.000 0.432 305 Q N 0.058 119.783 119.800 -0.126 0.000 2.167 305 Q HA -0.256 4.082 4.340 -0.003 0.000 0.202 305 Q C 1.902 177.891 176.000 -0.018 0.000 0.970 305 Q CA 1.862 57.639 55.803 -0.043 0.000 0.855 305 Q CB -0.100 28.623 28.738 -0.026 0.000 0.911 305 Q HN 0.513 nan 8.270 nan 0.000 0.438 306 E N -1.453 118.702 120.200 -0.076 0.000 2.072 306 E HA -0.175 4.173 4.350 -0.003 0.000 0.191 306 E C 1.229 177.888 176.600 0.099 0.000 0.985 306 E CA 1.123 57.507 56.400 -0.028 0.000 0.801 306 E CB -0.198 29.438 29.700 -0.106 0.000 0.750 306 E HN 0.445 nan 8.360 nan 0.000 0.452 307 W N 0.971 122.239 121.300 -0.053 0.000 2.381 307 W HA -0.049 4.610 4.660 -0.002 0.000 0.301 307 W C 2.177 178.658 176.519 -0.064 0.000 1.205 307 W CA 0.485 57.789 57.345 -0.069 0.000 1.285 307 W CB -0.878 28.526 29.460 -0.093 0.000 1.133 307 W HN 0.174 nan 8.180 nan 0.000 0.521 308 L N 0.047 121.378 121.223 0.180 0.000 2.191 308 L HA -0.174 4.164 4.340 -0.003 0.000 0.212 308 L C 1.177 178.094 176.870 0.077 0.000 1.103 308 L CA 1.147 56.046 54.840 0.098 0.000 0.769 308 L CB -0.639 41.460 42.059 0.066 0.000 0.908 308 L HN -0.178 nan 8.230 nan 0.000 0.438 309 D N -0.364 120.083 120.400 0.078 0.000 2.319 309 D HA -0.035 4.603 4.640 -0.003 0.000 0.230 309 D C 1.375 177.707 176.300 0.052 0.000 1.094 309 D CA 0.482 54.517 54.000 0.059 0.000 0.856 309 D CB 0.397 41.228 40.800 0.052 0.000 0.915 309 D HN 0.443 nan 8.370 nan 0.000 0.517 310 E N -0.347 119.887 120.200 0.056 0.000 2.514 310 E HA 0.146 4.494 4.350 -0.003 0.000 0.215 310 E C 0.486 177.082 176.600 -0.007 0.000 0.946 310 E CA -0.173 56.243 56.400 0.027 0.000 1.038 310 E CB 1.087 30.808 29.700 0.034 0.000 1.069 310 E HN 0.169 nan 8.360 nan 0.000 0.503 311 L N 2.056 123.282 121.223 0.005 0.000 2.490 311 L HA 0.085 4.423 4.340 -0.003 0.000 0.274 311 L C 0.135 177.017 176.870 0.020 0.000 1.201 311 L CA 0.634 55.474 54.840 -0.001 0.000 0.869 311 L CB 0.194 42.273 42.059 0.033 0.000 1.123 311 L HN -0.016 nan 8.230 nan 0.000 0.484 312 E N 1.355 121.574 120.200 0.031 0.000 2.317 312 E HA 0.212 4.560 4.350 -0.003 0.000 0.270 312 E C -0.961 175.687 176.600 0.080 0.000 0.885 312 E CA -0.686 55.742 56.400 0.046 0.000 0.760 312 E CB 1.883 31.605 29.700 0.036 0.000 1.227 312 E HN 0.493 nan 8.360 nan 0.000 0.434 313 E N 3.565 123.799 120.200 0.057 0.000 2.360 313 E HA 0.313 4.661 4.350 -0.003 0.000 0.269 313 E C -0.964 175.672 176.600 0.060 0.000 1.022 313 E CA -0.053 56.379 56.400 0.052 0.000 0.887 313 E CB 0.693 30.400 29.700 0.011 0.000 0.990 313 E HN 0.491 nan 8.360 nan 0.000 0.426 314 M N 4.491 124.134 119.600 0.072 0.000 2.534 314 M HA 0.234 4.712 4.480 -0.003 0.000 0.280 314 M C -1.552 174.768 176.300 0.034 0.000 1.217 314 M CA -0.934 54.404 55.300 0.064 0.000 0.893 314 M CB 1.958 34.633 32.600 0.123 0.000 1.730 314 M HN 0.715 nan 8.290 nan 0.000 0.483 315 M N 5.896 125.502 119.600 0.009 0.000 2.188 315 M HA 0.612 5.090 4.480 -0.003 0.000 0.354 315 M C -1.711 174.578 176.300 -0.019 0.000 1.342 315 M CA 0.156 55.451 55.300 -0.009 0.000 1.117 315 M CB 0.280 32.871 32.600 -0.015 0.000 1.670 315 M HN 0.543 nan 8.290 nan 0.000 0.466 316 L N 3.378 124.591 121.223 -0.017 0.000 2.612 316 L HA 0.707 5.045 4.340 -0.003 0.000 0.256 316 L C -1.797 175.013 176.870 -0.100 0.000 0.949 316 L CA -1.212 53.573 54.840 -0.091 0.000 0.867 316 L CB 1.501 43.427 42.059 -0.223 0.000 1.417 316 L HN 0.389 nan 8.230 nan 0.000 0.414 317 V N 2.578 122.423 119.914 -0.116 0.000 2.546 317 V HA 0.458 4.576 4.120 -0.003 0.000 0.284 317 V C 0.009 175.977 176.094 -0.210 0.000 1.050 317 V CA -0.244 61.978 62.300 -0.130 0.000 0.981 317 V CB 1.695 33.562 31.823 0.073 0.000 0.990 317 V HN 0.529 nan 8.190 nan 0.000 0.474 318 V N 5.068 124.757 119.914 -0.375 0.000 2.409 318 V HA 0.417 4.535 4.120 -0.003 0.000 0.291 318 V C -0.835 175.081 176.094 -0.298 0.000 1.020 318 V CA -0.706 61.380 62.300 -0.357 0.000 0.848 318 V CB 1.450 32.937 31.823 -0.561 0.000 0.990 318 V HN 0.910 nan 8.190 nan 0.000 0.430 319 H N 4.932 123.967 119.070 -0.058 0.000 2.595 319 H HA 0.712 5.266 4.556 -0.004 0.000 0.313 319 H C -0.217 175.052 175.328 -0.099 0.000 1.023 319 H CA -0.164 55.891 56.048 0.011 0.000 1.218 319 H CB 1.483 31.259 29.762 0.024 0.000 1.403 319 H HN 0.700 nan 8.280 nan 0.000 0.477 320 M N 5.341 124.907 119.600 -0.057 0.000 2.446 320 M HA 0.540 5.018 4.480 -0.003 0.000 0.294 320 M C -3.083 173.135 176.300 -0.136 0.000 1.158 320 M CA -2.059 53.147 55.300 -0.156 0.000 0.899 320 M CB 2.864 35.346 32.600 -0.196 0.000 1.687 320 M HN 0.259 nan 8.290 nan 0.000 0.455 321 P HA 0.174 nan 4.420 nan 0.000 0.280 321 P C -1.607 175.814 177.300 0.202 0.000 1.244 321 P CA -0.205 62.908 63.100 0.023 0.000 0.784 321 P CB 0.698 32.376 31.700 -0.037 0.000 0.913 322 R N 4.697 125.265 120.500 0.113 0.000 2.419 322 R HA 0.272 4.610 4.340 -0.003 0.000 0.305 322 R C -0.548 175.868 176.300 0.194 0.000 1.242 322 R CA -0.336 55.828 56.100 0.106 0.000 1.105 322 R CB -0.713 29.589 30.300 0.003 0.000 1.116 322 R HN 0.375 nan 8.270 nan 0.000 0.523 323 F N 1.389 121.307 119.950 -0.053 0.000 2.790 323 F HA 0.736 5.261 4.527 -0.003 0.000 0.386 323 F C -1.034 174.692 175.800 -0.122 0.000 1.206 323 F CA -2.004 55.947 58.000 -0.081 0.000 1.109 323 F CB 0.618 39.564 39.000 -0.091 0.000 1.469 323 F HN 0.314 nan 8.300 nan 0.000 0.513 324 R N 1.259 121.625 120.500 -0.224 0.000 2.560 324 R HA 0.682 5.020 4.340 -0.003 0.000 0.267 324 R C -2.241 173.918 176.300 -0.235 0.000 1.150 324 R CA -0.534 55.305 56.100 -0.434 0.000 0.997 324 R CB 1.315 31.457 30.300 -0.263 0.000 1.250 324 R HN 1.094 nan 8.270 nan 0.000 0.433 325 I N -1.162 119.174 120.570 -0.390 0.000 2.802 325 I HA 0.673 4.841 4.170 -0.003 0.000 0.298 325 I C -1.098 174.881 176.117 -0.231 0.000 1.176 325 I CA -0.829 60.360 61.300 -0.186 0.000 1.025 325 I CB 2.800 40.780 38.000 -0.033 0.000 1.243 325 I HN 0.689 nan 8.210 nan 0.000 0.424 326 E N 2.148 122.333 120.200 -0.024 0.000 2.359 326 E HA 0.617 4.965 4.350 -0.003 0.000 0.266 326 E C -1.757 174.962 176.600 0.198 0.000 0.920 326 E CA -0.801 55.665 56.400 0.111 0.000 0.788 326 E CB 2.506 32.299 29.700 0.154 0.000 1.279 326 E HN 0.701 nan 8.360 nan 0.000 0.438 327 D N -0.036 120.539 120.400 0.292 0.000 2.521 327 D HA 0.340 4.978 4.640 -0.003 0.000 0.195 327 D C -1.576 174.980 176.300 0.426 0.000 1.286 327 D CA -0.203 54.018 54.000 0.367 0.000 0.854 327 D CB 1.215 42.276 40.800 0.435 0.000 1.723 327 D HN 0.529 nan 8.370 nan 0.000 0.550 328 G N 1.675 110.702 108.800 0.379 0.000 2.591 328 G HA2 0.794 4.752 3.960 -0.003 0.000 0.306 328 G HA3 0.794 4.752 3.960 -0.003 0.000 0.306 328 G C -1.056 174.055 174.900 0.351 0.000 1.334 328 G CA -0.845 44.388 45.100 0.221 0.000 0.981 328 G HN 0.470 nan 8.290 nan 0.000 0.491 329 F N -0.704 119.416 119.950 0.283 0.000 2.817 329 F HA 0.787 5.312 4.527 -0.003 0.000 0.317 329 F C -0.390 175.597 175.800 0.313 0.000 1.168 329 F CA -1.513 56.645 58.000 0.263 0.000 0.911 329 F CB 1.400 40.521 39.000 0.202 0.000 1.337 329 F HN 0.530 nan 8.300 nan 0.000 0.464 330 S N 0.696 116.652 115.700 0.426 0.000 2.499 330 S HA 0.514 4.982 4.470 -0.003 0.000 0.279 330 S C 0.343 175.104 174.600 0.270 0.000 1.219 330 S CA -0.721 57.597 58.200 0.197 0.000 1.062 330 S CB 0.608 63.874 63.200 0.109 0.000 0.978 330 S HN 0.721 nan 8.310 nan 0.000 0.489 331 L N 4.654 125.974 121.223 0.163 0.000 2.529 331 L HA 0.166 4.504 4.340 -0.003 0.000 0.223 331 L C 2.428 179.386 176.870 0.148 0.000 1.113 331 L CA 0.217 55.233 54.840 0.293 0.000 0.861 331 L CB -0.312 41.907 42.059 0.267 0.000 1.012 331 L HN 0.715 nan 8.230 nan 0.000 0.461 332 K N 1.358 121.713 120.400 -0.074 0.000 2.044 332 K HA -0.271 4.047 4.320 -0.003 0.000 0.210 332 K C 2.183 178.557 176.600 -0.376 0.000 1.049 332 K CA 2.260 58.261 56.287 -0.476 0.000 0.927 332 K CB 0.055 32.207 32.500 -0.580 0.000 0.713 332 K HN 0.365 nan 8.250 nan 0.000 0.443 333 E N 1.042 121.140 120.200 -0.170 0.000 2.000 333 E HA -0.277 4.071 4.350 -0.003 0.000 0.199 333 E C 1.900 178.441 176.600 -0.098 0.000 1.011 333 E CA 1.904 58.230 56.400 -0.123 0.000 0.836 333 E CB -1.052 28.608 29.700 -0.068 0.000 0.778 333 E HN 0.471 nan 8.360 nan 0.000 0.462 334 Q N 0.322 120.086 119.800 -0.061 0.000 2.112 334 Q HA -0.053 4.285 4.340 -0.003 0.000 0.206 334 Q C 2.367 178.306 176.000 -0.102 0.000 0.987 334 Q CA 1.544 57.269 55.803 -0.129 0.000 0.858 334 Q CB -0.494 28.115 28.738 -0.216 0.000 0.905 334 Q HN 0.604 nan 8.270 nan 0.000 0.420 335 L N -0.178 121.097 121.223 0.085 0.000 2.046 335 L HA -0.271 4.067 4.340 -0.003 0.000 0.208 335 L C 2.498 179.424 176.870 0.093 0.000 1.077 335 L CA 1.399 56.312 54.840 0.120 0.000 0.747 335 L CB -0.322 41.898 42.059 0.269 0.000 0.896 335 L HN 0.364 nan 8.230 nan 0.000 0.432 336 Q N -0.240 119.600 119.800 0.068 0.000 2.020 336 Q HA -0.230 4.108 4.340 -0.003 0.000 0.202 336 Q C 1.852 177.844 176.000 -0.014 0.000 0.982 336 Q CA 1.821 57.670 55.803 0.076 0.000 0.838 336 Q CB 0.049 28.774 28.738 -0.022 0.000 0.899 336 Q HN 0.455 nan 8.270 nan 0.000 0.423 337 D N -0.011 120.329 120.400 -0.099 0.000 2.190 337 D HA -0.195 4.443 4.640 -0.003 0.000 0.200 337 D C 1.573 177.755 176.300 -0.196 0.000 0.992 337 D CA 1.248 55.162 54.000 -0.143 0.000 0.854 337 D CB -0.105 40.578 40.800 -0.194 0.000 0.936 337 D HN 0.361 nan 8.370 nan 0.000 0.462 338 M N -0.907 118.521 119.600 -0.286 0.000 2.630 338 M HA 0.030 4.508 4.480 -0.003 0.000 0.254 338 M C 1.222 177.474 176.300 -0.080 0.000 1.092 338 M CA 0.937 56.093 55.300 -0.240 0.000 1.087 338 M CB 0.504 32.948 32.600 -0.261 0.000 1.453 338 M HN 0.205 nan 8.290 nan 0.000 0.509 339 G N 0.384 109.165 108.800 -0.032 0.000 2.229 339 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.189 339 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.189 339 G C -0.215 174.719 174.900 0.057 0.000 1.000 339 G CA -0.630 44.479 45.100 0.015 0.000 0.663 339 G HN 0.272 nan 8.290 nan 0.000 0.493 340 L N 3.160 124.441 121.223 0.096 0.000 2.395 340 L HA 0.557 4.895 4.340 -0.003 0.000 0.268 340 L C 1.707 178.731 176.870 0.255 0.000 1.223 340 L CA 0.476 55.408 54.840 0.154 0.000 1.093 340 L CB 0.714 42.890 42.059 0.195 0.000 1.349 340 L HN 0.426 nan 8.230 nan 0.000 0.427 341 V N -0.923 119.095 119.914 0.172 0.000 2.581 341 V HA 0.101 4.219 4.120 -0.003 0.000 0.240 341 V C 1.661 177.860 176.094 0.175 0.000 1.054 341 V CA 0.517 62.940 62.300 0.205 0.000 1.076 341 V CB -0.503 31.392 31.823 0.120 0.000 0.748 341 V HN 0.424 nan 8.190 nan 0.000 0.474 342 D N 0.873 121.328 120.400 0.091 0.000 2.144 342 D HA -0.134 4.504 4.640 -0.003 0.000 0.199 342 D C 2.035 178.357 176.300 0.037 0.000 0.984 342 D CA 1.669 55.706 54.000 0.061 0.000 0.834 342 D CB -0.176 40.645 40.800 0.035 0.000 0.955 342 D HN 0.423 nan 8.370 nan 0.000 0.465 343 L N -0.104 121.084 121.223 -0.058 0.000 2.127 343 L HA -0.155 4.183 4.340 -0.003 0.000 0.211 343 L C 1.500 178.261 176.870 -0.181 0.000 1.089 343 L CA 1.506 56.230 54.840 -0.195 0.000 0.757 343 L CB -0.437 41.392 42.059 -0.383 0.000 0.899 343 L HN -0.098 nan 8.230 nan 0.000 0.434 344 F N -1.630 118.409 119.950 0.149 0.000 2.765 344 F HA 0.266 4.792 4.527 -0.003 0.000 0.302 344 F C 1.388 177.321 175.800 0.221 0.000 1.111 344 F CA 0.037 58.152 58.000 0.191 0.000 1.359 344 F CB -0.533 38.547 39.000 0.134 0.000 1.097 344 F HN -0.017 nan 8.300 nan 0.000 0.577 345 S N 1.386 117.248 115.700 0.271 0.000 2.430 345 S HA 0.249 4.717 4.470 -0.003 0.000 0.289 345 S C -1.660 172.922 174.600 -0.029 0.000 1.143 345 S CA -1.562 56.701 58.200 0.106 0.000 1.067 345 S CB 0.976 64.218 63.200 0.070 0.000 0.964 345 S HN -0.132 nan 8.310 nan 0.000 0.485 346 P HA -0.092 nan 4.420 nan 0.000 0.218 346 P C 0.453 177.606 177.300 -0.245 0.000 1.148 346 P CA 1.176 63.839 63.100 -0.729 0.000 0.822 346 P CB 0.229 31.382 31.700 -0.912 0.000 0.784 347 E N -1.360 118.755 120.200 -0.143 0.000 2.099 347 E HA -0.035 4.313 4.350 -0.003 0.000 0.191 347 E C 1.914 178.500 176.600 -0.024 0.000 0.962 347 E CA 0.719 57.078 56.400 -0.068 0.000 0.826 347 E CB -0.702 28.964 29.700 -0.056 0.000 0.788 347 E HN -0.036 nan 8.360 nan 0.000 0.461 348 K N 0.689 121.084 120.400 -0.008 0.000 2.137 348 K HA 0.166 4.484 4.320 -0.003 0.000 0.202 348 K C 1.302 177.917 176.600 0.025 0.000 1.052 348 K CA 0.533 56.828 56.287 0.014 0.000 0.961 348 K CB -0.351 32.164 32.500 0.025 0.000 0.741 348 K HN 0.183 nan 8.250 nan 0.000 0.452 349 S N 1.237 116.962 115.700 0.043 0.000 2.542 349 S HA -0.040 4.428 4.470 -0.003 0.000 0.287 349 S C -0.178 174.441 174.600 0.031 0.000 1.315 349 S CA 0.460 58.692 58.200 0.052 0.000 1.037 349 S CB 0.109 63.384 63.200 0.125 0.000 0.822 349 S HN 0.242 nan 8.310 nan 0.000 0.513 350 K N 4.378 124.785 120.400 0.011 0.000 2.803 350 K HA 0.282 4.600 4.320 -0.003 0.000 0.229 350 K C -1.230 175.357 176.600 -0.022 0.000 1.084 350 K CA -0.064 56.222 56.287 -0.000 0.000 1.063 350 K CB 0.830 33.332 32.500 0.004 0.000 1.254 350 K HN 0.602 nan 8.250 nan 0.000 0.551 351 L N 3.694 124.896 121.223 -0.036 0.000 2.892 351 L HA 0.234 4.572 4.340 -0.003 0.000 0.251 351 L C -1.185 175.632 176.870 -0.088 0.000 1.339 351 L CA -1.219 53.575 54.840 -0.077 0.000 0.900 351 L CB 0.913 42.909 42.059 -0.104 0.000 1.246 351 L HN 0.124 nan 8.230 nan 0.000 0.524 352 P HA -0.107 nan 4.420 nan 0.000 0.221 352 P C 1.287 178.542 177.300 -0.075 0.000 1.150 352 P CA 0.963 64.029 63.100 -0.057 0.000 0.800 352 P CB 0.358 32.040 31.700 -0.030 0.000 0.787 353 G N -0.623 108.120 108.800 -0.095 0.000 3.124 353 G HA2 0.054 4.012 3.960 -0.003 0.000 0.212 353 G HA3 0.054 4.012 3.960 -0.003 0.000 0.212 353 G C 1.306 176.087 174.900 -0.197 0.000 1.181 353 G CA -0.080 44.965 45.100 -0.092 0.000 0.803 353 G HN 0.250 nan 8.290 nan 0.000 0.529 354 I N -0.463 119.925 120.570 -0.304 0.000 2.681 354 I HA 0.091 4.260 4.170 -0.003 0.000 0.247 354 I C 0.505 176.595 176.117 -0.045 0.000 1.091 354 I CA 0.378 61.405 61.300 -0.454 0.000 1.442 354 I CB 0.188 37.895 38.000 -0.488 0.000 1.219 354 I HN -0.185 nan 8.210 nan 0.000 0.451 355 V N 1.503 121.368 119.914 -0.083 0.000 2.439 355 V HA 0.349 4.467 4.120 -0.003 0.000 0.282 355 V C 0.952 176.982 176.094 -0.107 0.000 1.039 355 V CA -0.036 62.172 62.300 -0.152 0.000 0.913 355 V CB 1.377 33.058 31.823 -0.235 0.000 0.983 355 V HN 0.310 nan 8.190 nan 0.000 0.460 356 A N 4.428 127.187 122.820 -0.102 0.000 1.874 356 A HA 0.134 4.452 4.320 -0.003 0.000 0.214 356 A C 0.646 178.184 177.584 -0.076 0.000 1.189 356 A CA 1.080 53.081 52.037 -0.061 0.000 0.615 356 A CB 0.024 19.002 19.000 -0.037 0.000 0.830 356 A HN 0.947 nan 8.150 nan 0.000 0.443 357 E N -4.630 115.503 120.200 -0.112 0.000 2.400 357 E HA 0.492 4.840 4.350 -0.003 0.000 0.285 357 E C -0.083 176.441 176.600 -0.127 0.000 1.005 357 E CA -0.483 55.859 56.400 -0.097 0.000 0.816 357 E CB 0.759 30.419 29.700 -0.066 0.000 1.220 357 E HN 0.867 nan 8.360 nan 0.000 0.426 358 G N 0.979 109.719 108.800 -0.100 0.000 2.624 358 G HA2 -0.113 3.846 3.960 -0.003 0.000 0.190 358 G HA3 -0.113 3.846 3.960 -0.003 0.000 0.190 358 G C 0.014 174.866 174.900 -0.080 0.000 1.008 358 G CA 0.008 45.050 45.100 -0.098 0.000 0.731 358 G HN 0.634 nan 8.290 nan 0.000 0.478 359 R N -0.005 120.444 120.500 -0.085 0.000 2.709 359 R HA 0.534 4.872 4.340 -0.003 0.000 0.270 359 R C -0.819 175.451 176.300 -0.050 0.000 1.038 359 R CA 0.275 56.343 56.100 -0.054 0.000 0.872 359 R CB 0.904 31.174 30.300 -0.051 0.000 1.259 359 R HN 0.163 nan 8.270 nan 0.000 0.473 360 D N -0.384 120.003 120.400 -0.021 0.000 2.153 360 D HA -0.086 4.552 4.640 -0.003 0.000 0.388 360 D C -0.189 176.118 176.300 0.012 0.000 1.014 360 D CA 0.262 54.252 54.000 -0.016 0.000 0.906 360 D CB 0.000 40.789 40.800 -0.018 0.000 1.552 360 D HN 0.674 nan 8.370 nan 0.000 0.522 361 D N 2.106 122.527 120.400 0.036 0.000 2.400 361 D HA -0.066 4.572 4.640 -0.003 0.000 0.242 361 D C 0.747 177.142 176.300 0.158 0.000 1.077 361 D CA -0.092 53.953 54.000 0.074 0.000 0.943 361 D CB -0.239 40.606 40.800 0.075 0.000 0.882 361 D HN 0.329 nan 8.370 nan 0.000 0.529 362 L N 1.306 122.586 121.223 0.095 0.000 2.747 362 L HA -0.116 4.222 4.340 -0.003 0.000 0.286 362 L C -0.099 176.852 176.870 0.134 0.000 1.216 362 L CA 0.658 55.538 54.840 0.067 0.000 0.930 362 L CB -0.759 41.289 42.059 -0.019 0.000 1.216 362 L HN 0.242 nan 8.230 nan 0.000 0.486 363 Y N 0.990 121.270 120.300 -0.032 0.000 2.638 363 Y HA 0.614 5.162 4.550 -0.003 0.000 0.335 363 Y C -0.957 174.929 175.900 -0.024 0.000 1.155 363 Y CA -1.554 56.529 58.100 -0.029 0.000 1.046 363 Y CB 1.016 39.478 38.460 0.004 0.000 1.303 363 Y HN 0.000 nan 8.280 nan 0.000 0.460 364 V N 3.418 123.209 119.914 -0.206 0.000 2.368 364 V HA 0.180 4.298 4.120 -0.003 0.000 0.266 364 V C 1.046 177.111 176.094 -0.049 0.000 1.045 364 V CA 0.533 62.708 62.300 -0.209 0.000 0.899 364 V CB 0.317 32.051 31.823 -0.148 0.000 1.006 364 V HN 1.052 nan 8.190 nan 0.000 0.470 365 S N 3.352 118.908 115.700 -0.241 0.000 2.343 365 S HA -0.058 4.410 4.470 -0.003 0.000 0.219 365 S C 0.576 175.249 174.600 0.122 0.000 1.033 365 S CA 1.077 59.269 58.200 -0.012 0.000 1.014 365 S CB 0.088 63.249 63.200 -0.066 0.000 0.915 365 S HN 0.763 nan 8.310 nan 0.000 0.435 366 D N -0.570 119.855 120.400 0.042 0.000 2.752 366 D HA 0.702 5.341 4.640 -0.003 0.000 0.313 366 D C -1.800 174.404 176.300 -0.160 0.000 1.225 366 D CA -0.093 53.848 54.000 -0.097 0.000 0.976 366 D CB 2.124 42.769 40.800 -0.257 0.000 1.443 366 D HN 0.521 nan 8.370 nan 0.000 0.515 367 A N 0.622 123.156 122.820 -0.477 0.000 2.540 367 A HA 0.635 4.953 4.320 -0.003 0.000 0.297 367 A C -1.855 175.358 177.584 -0.619 0.000 1.056 367 A CA -0.532 51.338 52.037 -0.278 0.000 0.700 367 A CB 0.761 19.907 19.000 0.244 0.000 1.280 367 A HN 0.297 nan 8.150 nan 0.000 0.398 368 F N 0.521 120.543 119.950 0.120 0.000 2.561 368 F HA 0.738 5.263 4.527 -0.003 0.000 0.321 368 F C 0.235 176.061 175.800 0.043 0.000 1.065 368 F CA -0.353 57.681 58.000 0.058 0.000 0.934 368 F CB 2.235 41.247 39.000 0.019 0.000 1.215 368 F HN 0.800 nan 8.300 nan 0.000 0.471 369 H N 0.837 119.865 119.070 -0.071 0.000 2.834 369 H HA 0.733 5.287 4.556 -0.003 0.000 0.369 369 H C -1.548 173.650 175.328 -0.218 0.000 1.174 369 H CA -1.127 54.784 56.048 -0.229 0.000 1.165 369 H CB 2.032 31.459 29.762 -0.557 0.000 1.820 369 H HN 0.540 nan 8.280 nan 0.000 0.558 370 K N 1.528 121.601 120.400 -0.545 0.000 2.587 370 K HA 0.691 5.009 4.320 -0.003 0.000 0.256 370 K C -2.090 174.439 176.600 -0.119 0.000 0.974 370 K CA -0.180 56.000 56.287 -0.178 0.000 0.855 370 K CB 1.355 33.816 32.500 -0.064 0.000 1.292 370 K HN 0.701 nan 8.250 nan 0.000 0.444 371 A N 3.163 126.094 122.820 0.184 0.000 2.413 371 A HA 0.873 5.191 4.320 -0.003 0.000 0.307 371 A C -1.839 176.081 177.584 0.559 0.000 1.087 371 A CA -0.635 51.653 52.037 0.418 0.000 0.750 371 A CB 0.883 20.201 19.000 0.530 0.000 1.296 371 A HN 0.616 nan 8.150 nan 0.000 0.423 372 F N 1.908 122.109 119.950 0.418 0.000 2.557 372 F HA 0.685 5.210 4.527 -0.003 0.000 0.316 372 F C -1.718 174.066 175.800 -0.026 0.000 1.141 372 F CA -0.989 57.110 58.000 0.165 0.000 0.922 372 F CB 1.733 40.781 39.000 0.080 0.000 1.194 372 F HN 0.582 nan 8.300 nan 0.000 0.443 373 L N 5.367 125.987 121.223 -1.004 0.000 2.401 373 L HA 0.665 5.003 4.340 -0.003 0.000 0.266 373 L C -1.573 174.597 176.870 -1.165 0.000 0.991 373 L CA -0.267 53.924 54.840 -1.081 0.000 0.818 373 L CB 2.107 43.160 42.059 -1.677 0.000 1.321 373 L HN 0.743 nan 8.230 nan 0.000 0.413 374 E N 3.713 123.434 120.200 -0.798 0.000 2.378 374 E HA 0.479 4.828 4.350 -0.003 0.000 0.282 374 E C -2.023 174.301 176.600 -0.460 0.000 0.910 374 E CA -0.525 55.464 56.400 -0.686 0.000 0.816 374 E CB 1.612 31.074 29.700 -0.396 0.000 1.359 374 E HN 0.489 nan 8.360 nan 0.000 0.397 375 V N 4.244 123.789 119.914 -0.616 0.000 2.539 375 V HA 0.558 4.676 4.120 -0.003 0.000 0.292 375 V C 0.006 176.068 176.094 -0.053 0.000 1.045 375 V CA -0.431 61.764 62.300 -0.175 0.000 0.945 375 V CB 1.328 33.166 31.823 0.026 0.000 0.993 375 V HN 0.844 nan 8.190 nan 0.000 0.464 376 N N 1.763 120.542 118.700 0.131 0.000 3.277 376 N HA 0.316 5.055 4.740 -0.003 0.000 0.278 376 N C 0.250 175.908 175.510 0.245 0.000 1.544 376 N CA -0.844 52.269 53.050 0.104 0.000 0.869 376 N CB 0.948 39.468 38.487 0.055 0.000 1.584 376 N HN 0.220 nan 8.380 nan 0.000 0.564 377 E N -0.101 120.199 120.200 0.166 0.000 2.070 377 E HA -0.194 4.154 4.350 -0.003 0.000 0.197 377 E C 0.941 177.845 176.600 0.506 0.000 1.004 377 E CA 2.045 58.615 56.400 0.284 0.000 0.805 377 E CB -0.173 29.646 29.700 0.200 0.000 0.744 377 E HN 0.652 nan 8.360 nan 0.000 0.451 378 E N -0.820 119.582 120.200 0.336 0.000 2.047 378 E HA 0.122 4.471 4.350 -0.003 0.000 0.191 378 E C 0.997 177.732 176.600 0.225 0.000 0.987 378 E CA 1.213 57.781 56.400 0.280 0.000 0.799 378 E CB -0.036 29.739 29.700 0.126 0.000 0.752 378 E HN 0.281 nan 8.360 nan 0.000 0.449 379 G N -1.444 107.365 108.800 0.014 0.000 2.435 379 G HA2 0.367 4.325 3.960 -0.003 0.000 0.228 379 G HA3 0.367 4.325 3.960 -0.003 0.000 0.228 379 G C -1.203 173.482 174.900 -0.359 0.000 1.198 379 G CA -0.072 44.595 45.100 -0.722 0.000 0.948 379 G HN 0.065 nan 8.290 nan 0.000 0.487 380 S N -0.824 114.694 115.700 -0.303 0.000 2.599 380 S HA 0.712 5.180 4.470 -0.003 0.000 0.294 380 S C -1.455 172.986 174.600 -0.266 0.000 1.094 380 S CA -0.295 57.836 58.200 -0.115 0.000 0.931 380 S CB 1.876 65.183 63.200 0.179 0.000 1.093 380 S HN 0.793 nan 8.310 nan 0.000 0.488 381 E N 1.633 121.704 120.200 -0.215 0.000 2.302 381 E HA 0.624 4.972 4.350 -0.003 0.000 0.263 381 E C -1.380 175.120 176.600 -0.167 0.000 0.897 381 E CA -0.694 55.545 56.400 -0.268 0.000 0.809 381 E CB 1.343 30.967 29.700 -0.128 0.000 1.270 381 E HN 0.706 nan 8.360 nan 0.000 0.410 382 A N 2.899 125.566 122.820 -0.255 0.000 2.355 382 A HA 0.976 5.294 4.320 -0.003 0.000 0.324 382 A C -1.066 176.377 177.584 -0.234 0.000 1.117 382 A CA -0.107 51.705 52.037 -0.375 0.000 0.785 382 A CB 1.780 20.045 19.000 -1.225 0.000 1.254 382 A HN 0.675 nan 8.150 nan 0.000 0.453 383 A N 0.067 122.986 122.820 0.165 0.000 2.574 383 A HA 0.957 5.275 4.320 -0.003 0.000 0.297 383 A C -0.543 177.363 177.584 0.536 0.000 1.062 383 A CA 0.088 52.334 52.037 0.349 0.000 0.686 383 A CB 1.330 20.469 19.000 0.233 0.000 1.285 383 A HN 2.638 nan 8.150 nan 0.000 0.403 384 A N 0.169 123.247 122.820 0.431 0.000 2.612 384 A HA 0.931 5.249 4.320 -0.003 0.000 0.293 384 A C -0.657 176.970 177.584 0.071 0.000 1.075 384 A CA 0.141 52.314 52.037 0.228 0.000 0.680 384 A CB 1.298 20.451 19.000 0.256 0.000 1.279 384 A HN 2.237 nan 8.150 nan 0.000 0.411 385 S N -0.243 115.395 115.700 -0.104 0.000 2.543 385 S HA 0.756 5.224 4.470 -0.003 0.000 0.271 385 S C -1.111 173.446 174.600 -0.071 0.000 1.148 385 S CA -0.144 58.039 58.200 -0.028 0.000 0.914 385 S CB 1.616 64.833 63.200 0.028 0.000 1.096 385 S HN 1.041 nan 8.310 nan 0.000 0.471 386 T N 3.396 118.005 114.554 0.092 0.000 2.812 386 T HA 0.761 5.109 4.350 -0.003 0.000 0.282 386 T C -0.609 174.171 174.700 0.134 0.000 0.990 386 T CA -0.431 61.785 62.100 0.192 0.000 0.960 386 T CB 1.396 70.438 68.868 0.288 0.000 0.948 386 T HN 0.902 nan 8.240 nan 0.000 0.438 387 A N 3.184 126.094 122.820 0.150 0.000 2.319 387 A HA 0.745 5.063 4.320 -0.003 0.000 0.310 387 A C -0.527 177.102 177.584 0.075 0.000 1.152 387 A CA -0.628 51.478 52.037 0.115 0.000 0.783 387 A CB 0.855 19.946 19.000 0.152 0.000 1.184 387 A HN 0.672 nan 8.150 nan 0.000 0.474 388 V N 3.077 122.957 119.914 -0.057 0.000 2.398 388 V HA 0.422 4.540 4.120 -0.003 0.000 0.286 388 V C -0.183 175.848 176.094 -0.104 0.000 1.026 388 V CA -0.524 61.685 62.300 -0.151 0.000 0.868 388 V CB 1.515 33.082 31.823 -0.427 0.000 0.982 388 V HN 0.610 nan 8.190 nan 0.000 0.443 389 V N 6.021 125.888 119.914 -0.079 0.000 2.384 389 V HA 0.434 4.552 4.120 -0.003 0.000 0.287 389 V C -0.170 175.812 176.094 -0.186 0.000 1.020 389 V CA -0.534 61.702 62.300 -0.106 0.000 0.850 389 V CB 1.625 33.428 31.823 -0.034 0.000 0.987 389 V HN 0.582 nan 8.190 nan 0.000 0.436 390 I N 4.201 124.641 120.570 -0.217 0.000 2.325 390 I HA 0.444 4.612 4.170 -0.003 0.000 0.291 390 I C 0.937 176.864 176.117 -0.318 0.000 1.019 390 I CA -0.324 60.810 61.300 -0.276 0.000 1.302 390 I CB 0.453 38.346 38.000 -0.179 0.000 1.401 390 I HN 0.924 nan 8.210 nan 0.000 0.485 391 A N 4.517 127.017 122.820 -0.533 0.000 2.578 391 A HA -0.029 4.290 4.320 -0.003 0.000 0.298 391 A C 0.823 178.281 177.584 -0.210 0.000 1.472 391 A CA 0.788 52.586 52.037 -0.398 0.000 0.734 391 A CB -1.918 16.993 19.000 -0.148 0.000 1.091 391 A HN 1.046 nan 8.150 nan 0.000 0.426 392 G N -0.769 107.912 108.800 -0.198 0.000 2.890 392 G HA2 0.622 4.580 3.960 -0.003 0.000 0.189 392 G HA3 0.622 4.580 3.960 -0.003 0.000 0.189 392 G C 0.033 174.943 174.900 0.016 0.000 1.342 392 G CA -0.205 44.842 45.100 -0.089 0.000 1.026 392 G HN 0.946 nan 8.290 nan 0.000 0.579 393 R N 0.416 120.944 120.500 0.047 0.000 2.287 393 R HA 0.438 4.777 4.340 -0.003 0.000 0.316 393 R C -0.017 176.350 176.300 0.111 0.000 1.050 393 R CA -0.218 55.931 56.100 0.082 0.000 0.983 393 R CB 0.617 30.953 30.300 0.060 0.000 1.140 393 R HN 0.436 nan 8.270 nan 0.000 0.528 394 S N 4.583 120.358 115.700 0.126 0.000 2.596 394 S HA 0.039 4.507 4.470 -0.003 0.000 0.298 394 S C 0.512 175.176 174.600 0.108 0.000 1.255 394 S CA 0.010 58.280 58.200 0.116 0.000 1.083 394 S CB 0.084 63.354 63.200 0.115 0.000 0.837 394 S HN 0.514 nan 8.310 nan 0.000 0.499 395 L N 4.380 125.686 121.223 0.138 0.000 2.902 395 L HA 0.546 4.884 4.340 -0.003 0.000 0.229 395 L C 0.667 177.598 176.870 0.101 0.000 1.324 395 L CA -1.033 53.886 54.840 0.132 0.000 1.230 395 L CB 0.438 42.611 42.059 0.190 0.000 2.134 395 L HN 0.586 nan 8.230 nan 0.000 0.567 396 N N -1.072 117.691 118.700 0.105 0.000 2.292 396 N HA 0.430 5.168 4.740 -0.003 0.000 0.303 396 N C -2.537 173.036 175.510 0.105 0.000 1.140 396 N CA -1.261 51.838 53.050 0.081 0.000 0.788 396 N CB 1.559 40.081 38.487 0.059 0.000 1.361 396 N HN 0.332 nan 8.380 nan 0.000 0.489 397 P HA 0.165 nan 4.420 nan 0.000 0.271 397 P C 0.013 177.371 177.300 0.096 0.000 1.216 397 P CA 0.008 63.172 63.100 0.106 0.000 0.771 397 P CB 0.369 32.113 31.700 0.072 0.000 0.864 398 N N 1.469 120.240 118.700 0.118 0.000 2.322 398 N HA 0.145 4.883 4.740 -0.003 0.000 0.194 398 N C 1.019 176.579 175.510 0.083 0.000 1.126 398 N CA 0.347 53.453 53.050 0.093 0.000 0.845 398 N CB -0.549 37.996 38.487 0.097 0.000 0.976 398 N HN 0.678 nan 8.380 nan 0.000 0.475 399 R N -0.440 120.109 120.500 0.082 0.000 3.599 399 R HA 0.120 4.458 4.340 -0.003 0.000 0.144 399 R C 0.674 177.009 176.300 0.059 0.000 0.500 399 R CA 1.081 57.219 56.100 0.063 0.000 0.719 399 R CB -2.379 27.944 30.300 0.039 0.000 1.491 399 R HN 1.707 nan 8.270 nan 0.000 0.404 400 V N 2.653 122.611 119.914 0.073 0.000 2.852 400 V HA 0.375 4.493 4.120 -0.003 0.000 0.359 400 V C 1.148 177.276 176.094 0.056 0.000 1.244 400 V CA 0.315 62.653 62.300 0.064 0.000 1.371 400 V CB -0.012 31.857 31.823 0.077 0.000 1.491 400 V HN 0.952 nan 8.190 nan 0.000 0.603 404 A N 1.186 124.062 122.820 0.094 0.000 3.658 404 A HA 0.950 5.268 4.320 -0.003 0.000 0.188 404 A C 0.184 177.933 177.584 0.275 0.000 1.601 404 A CA 0.274 52.438 52.037 0.213 0.000 1.765 404 A CB 0.721 19.809 19.000 0.147 0.000 1.546 404 A HN 0.855 nan 8.150 nan 0.000 0.555 405 N N -3.676 115.289 118.700 0.442 0.000 3.355 405 N HA 0.430 5.168 4.740 -0.003 0.000 0.238 405 N C -0.431 175.275 175.510 0.327 0.000 1.466 405 N CA 0.453 53.652 53.050 0.248 0.000 0.882 405 N CB 1.017 39.453 38.487 -0.085 0.000 1.406 405 N HN 1.227 nan 8.380 nan 0.000 0.500 406 R N -0.233 120.350 120.500 0.137 0.000 2.470 406 R HA -0.135 4.203 4.340 -0.003 0.000 0.230 406 R C -2.342 174.127 176.300 0.283 0.000 0.785 406 R CA 1.206 57.401 56.100 0.159 0.000 0.566 406 R CB -2.626 27.727 30.300 0.087 0.000 1.388 406 R HN 0.417 nan 8.270 nan 0.000 0.534 407 P HA 0.794 nan 4.420 nan 0.000 0.280 407 P C -0.573 176.908 177.300 0.301 0.000 1.272 407 P CA -0.619 62.601 63.100 0.200 0.000 0.819 407 P CB 0.856 32.604 31.700 0.081 0.000 1.122 408 F N -1.903 118.081 119.950 0.057 0.000 2.619 408 F HA 0.532 5.058 4.527 -0.002 0.000 0.308 408 F C -1.157 174.707 175.800 0.107 0.000 1.097 408 F CA -1.574 56.471 58.000 0.075 0.000 0.953 408 F CB 0.499 39.530 39.000 0.052 0.000 1.287 408 F HN -0.001 nan 8.300 nan 0.000 0.446 409 L N 3.114 124.484 121.223 0.246 0.000 2.397 409 L HA 0.660 4.998 4.340 -0.003 0.000 0.271 409 L C -0.402 176.671 176.870 0.338 0.000 1.148 409 L CA -0.959 53.998 54.840 0.194 0.000 0.825 409 L CB 1.270 43.549 42.059 0.366 0.000 1.117 409 L HN 0.590 nan 8.230 nan 0.000 0.456 410 V N 2.844 122.857 119.914 0.166 0.000 2.656 410 V HA 0.555 4.673 4.120 -0.003 0.000 0.307 410 V C -0.745 175.497 176.094 0.246 0.000 1.051 410 V CA -0.476 62.037 62.300 0.355 0.000 0.893 410 V CB 1.993 33.986 31.823 0.284 0.000 0.999 410 V HN 0.393 nan 8.190 nan 0.000 0.426 411 F N 3.798 123.902 119.950 0.257 0.000 2.599 411 F HA 0.690 5.215 4.527 -0.003 0.000 0.311 411 F C -0.221 175.746 175.800 0.278 0.000 1.076 411 F CA -1.007 57.131 58.000 0.231 0.000 0.937 411 F CB 1.949 41.044 39.000 0.159 0.000 1.282 411 F HN 0.158 nan 8.300 nan 0.000 0.460 412 I N 3.365 124.197 120.570 0.436 0.000 2.497 412 I HA 0.435 4.603 4.170 -0.003 0.000 0.284 412 I C -0.828 175.419 176.117 0.217 0.000 1.060 412 I CA -0.606 60.883 61.300 0.317 0.000 1.071 412 I CB 1.686 39.831 38.000 0.243 0.000 1.216 412 I HN 0.656 nan 8.210 nan 0.000 0.442 413 R N 2.287 122.897 120.500 0.183 0.000 2.892 413 R HA 0.661 4.999 4.340 -0.003 0.000 0.265 413 R C -0.894 175.449 176.300 0.072 0.000 1.025 413 R CA -0.707 55.466 56.100 0.121 0.000 0.982 413 R CB 2.191 32.575 30.300 0.140 0.000 1.185 413 R HN 0.269 nan 8.270 nan 0.000 0.484 414 E N 1.509 121.734 120.200 0.042 0.000 2.081 414 E HA 0.179 4.527 4.350 -0.003 0.000 0.276 414 E C 0.718 177.352 176.600 0.057 0.000 0.950 414 E CA -0.574 55.847 56.400 0.034 0.000 0.776 414 E CB 1.371 31.066 29.700 -0.008 0.000 1.094 414 E HN 0.533 nan 8.360 nan 0.000 0.402 415 V N 6.481 126.443 119.914 0.080 0.000 2.255 415 V HA -0.142 3.976 4.120 -0.003 0.000 0.247 415 V C -0.269 175.873 176.094 0.080 0.000 1.051 415 V CA 2.314 64.665 62.300 0.086 0.000 1.018 415 V CB -1.243 30.638 31.823 0.097 0.000 0.641 415 V HN 0.715 nan 8.190 nan 0.000 0.445 416 P HA -0.124 nan 4.420 nan 0.000 0.216 416 P C 1.551 178.902 177.300 0.085 0.000 1.153 416 P CA 1.532 64.675 63.100 0.073 0.000 0.848 416 P CB -0.037 31.698 31.700 0.058 0.000 0.787 417 L N -0.762 120.498 121.223 0.062 0.000 2.611 417 L HA 0.165 4.503 4.340 -0.003 0.000 0.229 417 L C 0.834 177.730 176.870 0.043 0.000 1.137 417 L CA -0.192 54.681 54.840 0.055 0.000 0.901 417 L CB -1.118 40.946 42.059 0.008 0.000 1.098 417 L HN 0.026 nan 8.230 nan 0.000 0.456 418 N N 2.532 121.267 118.700 0.059 0.000 2.725 418 N HA -0.165 4.574 4.740 -0.003 0.000 0.280 418 N C -0.510 174.994 175.510 -0.010 0.000 1.017 418 N CA 1.201 54.274 53.050 0.038 0.000 0.813 418 N CB -0.184 38.337 38.487 0.057 0.000 0.931 418 N HN 0.450 nan 8.380 nan 0.000 0.570 419 T N -0.887 113.668 114.554 0.003 0.000 2.893 419 T HA 0.576 4.925 4.350 -0.003 0.000 0.293 419 T C 0.465 175.181 174.700 0.028 0.000 1.027 419 T CA -0.813 61.282 62.100 -0.008 0.000 0.988 419 T CB 1.601 70.451 68.868 -0.031 0.000 1.043 419 T HN 0.158 nan 8.240 nan 0.000 0.461 420 I N 3.388 123.985 120.570 0.044 0.000 2.294 420 I HA 0.218 4.386 4.170 -0.003 0.000 0.295 420 I C 1.247 177.374 176.117 0.017 0.000 1.098 420 I CA -0.440 60.911 61.300 0.085 0.000 1.277 420 I CB 0.157 38.228 38.000 0.119 0.000 1.434 420 I HN 0.682 nan 8.210 nan 0.000 0.498 421 I N 5.214 125.783 120.570 -0.002 0.000 2.406 421 I HA -0.009 4.159 4.170 -0.003 0.000 0.249 421 I C 0.198 176.019 176.117 -0.493 0.000 1.122 421 I CA 1.100 62.295 61.300 -0.175 0.000 1.431 421 I CB -0.034 37.922 38.000 -0.074 0.000 1.087 421 I HN 0.301 nan 8.210 nan 0.000 0.424 422 F N 0.109 120.049 119.950 -0.017 0.000 2.662 422 F HA 0.634 5.160 4.527 -0.003 0.000 0.312 422 F C -0.239 175.486 175.800 -0.125 0.000 1.113 422 F CA -0.963 56.951 58.000 -0.143 0.000 0.951 422 F CB 1.888 40.850 39.000 -0.062 0.000 1.344 422 F HN -0.211 nan 8.300 nan 0.000 0.462 423 M N 0.711 120.252 119.600 -0.098 0.000 2.755 423 M HA 0.873 5.351 4.480 -0.003 0.000 0.276 423 M C -1.125 175.108 176.300 -0.111 0.000 1.129 423 M CA -0.523 54.643 55.300 -0.224 0.000 0.832 423 M CB 2.314 34.598 32.600 -0.525 0.000 1.700 423 M HN 0.940 nan 8.290 nan 0.000 0.518 424 G N 0.860 109.580 108.800 -0.133 0.000 2.315 424 G HA2 0.431 4.389 3.960 -0.003 0.000 0.294 424 G HA3 0.431 4.389 3.960 -0.003 0.000 0.294 424 G C -2.477 172.437 174.900 0.023 0.000 1.300 424 G CA -1.053 44.125 45.100 0.131 0.000 0.843 424 G HN 0.920 nan 8.290 nan 0.000 0.527 425 R N 0.429 120.996 120.500 0.111 0.000 2.337 425 R HA 0.547 4.885 4.340 -0.003 0.000 0.319 425 R C -0.968 175.249 176.300 -0.138 0.000 0.954 425 R CA -0.456 55.639 56.100 -0.009 0.000 0.840 425 R CB 1.414 31.782 30.300 0.113 0.000 1.164 425 R HN 0.327 nan 8.270 nan 0.000 0.472 426 V N 5.357 125.002 119.914 -0.449 0.000 2.356 426 V HA 0.182 4.301 4.120 -0.003 0.000 0.258 426 V C 1.017 176.826 176.094 -0.475 0.000 1.065 426 V CA 0.263 62.212 62.300 -0.585 0.000 0.935 426 V CB 0.619 31.748 31.823 -1.158 0.000 1.061 426 V HN 0.949 nan 8.190 nan 0.000 0.484 427 A N 4.126 126.814 122.820 -0.220 0.000 2.035 427 A HA 0.184 4.502 4.320 -0.003 0.000 0.208 427 A C 1.125 178.623 177.584 -0.144 0.000 1.206 427 A CA 0.246 52.235 52.037 -0.081 0.000 0.773 427 A CB 0.101 19.099 19.000 -0.003 0.000 0.878 427 A HN 0.608 nan 8.150 nan 0.000 0.469 428 N N 0.621 119.173 118.700 -0.246 0.000 2.621 428 N HA 0.245 4.983 4.740 -0.003 0.000 0.237 428 N C -2.273 172.978 175.510 -0.432 0.000 0.997 428 N CA -1.440 51.369 53.050 -0.403 0.000 0.918 428 N CB 1.770 40.135 38.487 -0.204 0.000 1.122 428 N HN 0.110 nan 8.380 nan 0.000 0.510 429 P HA 0.023 nan 4.420 nan 0.000 0.229 429 P C 0.656 177.826 177.300 -0.217 0.000 1.160 429 P CA 0.071 62.929 63.100 -0.404 0.000 0.777 429 P CB 0.272 31.739 31.700 -0.387 0.000 0.814 430 c N 0.000 118.420 118.600 -0.300 0.000 2.653 430 c HA 0.000 4.568 4.570 -0.003 0.000 0.325 430 c CA 0.000 56.248 56.329 -0.135 0.000 1.963 430 c CB 0.000 42.435 42.510 -0.125 0.000 2.134 430 c HN 0.000 nan 8.230 nan 0.000 0.568