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 3dp7_1_B DATA FIRST_RESID 6 DATA SEQUENCE TKEQCTAAEA QRLAQEIAFG PVVFQVSRLM LKFGIFQLLS GKREGYTLQE DATA SEQUENCE ISGRTGLTRY AAQVLLEASL TIGTILLEED RYVLAKAGWF LLNDKMARVN DATA SEQUENCE MEFNHDVNYQ GLFHLEEALL NGRPEGLKVF GEWPTIYEGL SQLPEQVQKS DATA SEQUENCE WFGFDHFYSD QSFGKALEIV FSHHPKRLLD IGGNTGKWAT QCVQYNKEVE DATA SEQUENCE VTIVDLPQQL EMMRKQTAGL SGSERIHGHG ANLLDRDVPF PTGFDAVWMS DATA SEQUENCE QFLDCFSEEE VISILTRVAQ SIGKDSKVYI METLWDRQRY ETASYCLTQI DATA SEQUENCE SLYFTAMANG NSKMFHSDDL IRCIENAGLE VEEIQDNIGL GHSILQCRLK 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.736 174.700 0.061 0.000 1.109 6 T CA 0.000 62.136 62.100 0.061 0.000 1.349 6 T CB 0.000 68.922 68.868 0.090 0.000 0.612 7 K N 3.318 123.760 120.400 0.070 0.000 2.267 7 K HA 0.741 5.063 4.320 0.003 0.000 0.282 7 K C -0.540 176.088 176.600 0.048 0.000 1.078 7 K CA -0.089 56.237 56.287 0.065 0.000 0.903 7 K CB 0.974 33.525 32.500 0.085 0.000 1.111 7 K HN 0.842 nan 8.250 nan 0.000 0.475 8 E N 0.962 121.184 120.200 0.038 0.000 2.472 8 E HA 0.075 4.427 4.350 0.003 0.000 0.290 8 E C -1.430 175.184 176.600 0.024 0.000 1.059 8 E CA -0.984 55.433 56.400 0.029 0.000 0.861 8 E CB 0.399 30.114 29.700 0.025 0.000 1.213 8 E HN 0.201 nan 8.360 nan 0.000 0.425 9 Q N 1.737 121.549 119.800 0.020 0.000 2.304 9 Q HA 0.079 4.421 4.340 0.003 0.000 0.315 9 Q C -0.547 175.462 176.000 0.014 0.000 1.075 9 Q CA 0.969 56.782 55.803 0.016 0.000 0.988 9 Q CB 0.709 29.456 28.738 0.014 0.000 1.146 9 Q HN 0.730 nan 8.270 nan 0.000 0.383 10 C N 2.198 121.505 119.300 0.012 0.000 3.188 10 C HA 0.251 4.713 4.460 0.003 0.000 0.315 10 C C 0.227 175.220 174.990 0.005 0.000 1.285 10 C CA 0.570 59.593 59.018 0.008 0.000 1.729 10 C CB -0.158 27.585 27.740 0.006 0.000 2.257 10 C HN 0.932 nan 8.230 nan 0.000 0.645 11 T N -0.436 114.121 114.554 0.006 0.000 2.885 11 T HA 0.746 5.097 4.350 0.003 0.000 0.285 11 T C 0.151 174.855 174.700 0.007 0.000 1.019 11 T CA -0.113 61.991 62.100 0.006 0.000 1.010 11 T CB 1.853 70.725 68.868 0.007 0.000 1.022 11 T HN 0.293 nan 8.240 nan 0.000 0.466 12 A N 1.758 124.582 122.820 0.007 0.000 2.250 12 A HA 0.591 4.913 4.320 0.003 0.000 0.284 12 A C 1.745 179.334 177.584 0.009 0.000 1.269 12 A CA 0.008 52.050 52.037 0.007 0.000 0.834 12 A CB -0.960 18.044 19.000 0.007 0.000 1.146 12 A HN 1.604 nan 8.150 nan 0.000 0.509 13 A N -0.432 122.394 122.820 0.009 0.000 2.233 13 A HA 0.183 4.505 4.320 0.003 0.000 0.230 13 A C 1.144 178.736 177.584 0.013 0.000 1.347 13 A CA 0.775 52.819 52.037 0.011 0.000 1.087 13 A CB -0.901 18.105 19.000 0.011 0.000 0.871 13 A HN 0.732 nan 8.150 nan 0.000 0.519 14 E N -0.570 119.637 120.200 0.013 0.000 2.437 14 E HA 0.195 4.547 4.350 0.003 0.000 0.189 14 E C 1.210 177.820 176.600 0.016 0.000 1.054 14 E CA 0.556 56.965 56.400 0.015 0.000 0.874 14 E CB -0.198 29.509 29.700 0.012 0.000 1.011 14 E HN 0.438 nan 8.360 nan 0.000 0.474 15 A N 1.392 124.221 122.820 0.015 0.000 2.076 15 A HA -0.239 4.083 4.320 0.003 0.000 0.220 15 A C 2.163 179.760 177.584 0.021 0.000 1.160 15 A CA 1.463 53.510 52.037 0.016 0.000 0.653 15 A CB -0.539 18.469 19.000 0.014 0.000 0.801 15 A HN 0.378 nan 8.150 nan 0.000 0.455 16 Q N -0.710 119.103 119.800 0.023 0.000 2.245 16 Q HA -0.086 4.256 4.340 0.003 0.000 0.201 16 Q C 2.270 178.294 176.000 0.040 0.000 0.955 16 Q CA 0.888 56.708 55.803 0.028 0.000 0.870 16 Q CB -0.092 28.662 28.738 0.026 0.000 0.945 16 Q HN 0.700 nan 8.270 nan 0.000 0.461 17 R N 0.184 120.707 120.500 0.038 0.000 2.093 17 R HA 0.003 4.345 4.340 0.003 0.000 0.224 17 R C 2.376 178.711 176.300 0.059 0.000 1.101 17 R CA 0.319 56.449 56.100 0.049 0.000 0.979 17 R CB -0.135 30.186 30.300 0.036 0.000 0.877 17 R HN 0.327 nan 8.270 nan 0.000 0.441 18 L N 0.574 121.824 121.223 0.044 0.000 2.012 18 L HA -0.172 4.170 4.340 0.003 0.000 0.210 18 L C 2.381 179.285 176.870 0.056 0.000 1.073 18 L CA 1.656 56.523 54.840 0.045 0.000 0.748 18 L CB -0.494 41.583 42.059 0.029 0.000 0.891 18 L HN 0.258 nan 8.230 nan 0.000 0.431 19 A N -0.920 121.927 122.820 0.046 0.000 1.948 19 A HA -0.313 4.009 4.320 0.003 0.000 0.220 19 A C 2.080 179.698 177.584 0.057 0.000 1.177 19 A CA 2.056 54.116 52.037 0.038 0.000 0.636 19 A CB -0.478 18.538 19.000 0.027 0.000 0.815 19 A HN 0.511 nan 8.150 nan 0.000 0.449 20 Q N -0.376 119.483 119.800 0.098 0.000 2.096 20 Q HA -0.051 4.291 4.340 0.003 0.000 0.197 20 Q C 1.900 178.056 176.000 0.260 0.000 0.964 20 Q CA 1.728 57.642 55.803 0.187 0.000 0.838 20 Q CB -0.252 28.612 28.738 0.211 0.000 0.906 20 Q HN 0.779 nan 8.270 nan 0.000 0.444 21 E N -0.140 120.168 120.200 0.180 0.000 2.085 21 E HA -0.206 4.146 4.350 0.003 0.000 0.194 21 E C 1.934 178.630 176.600 0.160 0.000 0.994 21 E CA 1.345 57.849 56.400 0.173 0.000 0.801 21 E CB -0.230 29.535 29.700 0.109 0.000 0.743 21 E HN 0.373 nan 8.360 nan 0.000 0.453 22 I N 1.136 121.769 120.570 0.104 0.000 2.226 22 I HA -0.268 3.904 4.170 0.003 0.000 0.245 22 I C 2.543 178.682 176.117 0.036 0.000 1.100 22 I CA 0.960 62.300 61.300 0.067 0.000 1.374 22 I CB -0.292 37.729 38.000 0.036 0.000 1.057 22 I HN 0.090 nan 8.210 nan 0.000 0.413 23 A N 0.168 122.992 122.820 0.006 0.000 1.972 23 A HA -0.175 4.147 4.320 0.003 0.000 0.219 23 A C 1.818 179.269 177.584 -0.220 0.000 1.169 23 A CA 1.605 53.559 52.037 -0.140 0.000 0.635 23 A CB -0.717 18.145 19.000 -0.232 0.000 0.810 23 A HN 0.425 nan 8.150 nan 0.000 0.446 24 F N -0.435 119.539 119.950 0.040 0.000 2.695 24 F HA 0.256 4.785 4.527 0.003 0.000 0.303 24 F C 2.204 178.052 175.800 0.080 0.000 1.091 24 F CA -0.161 57.872 58.000 0.056 0.000 1.300 24 F CB -0.346 38.686 39.000 0.053 0.000 1.071 24 F HN 0.246 nan 8.300 nan 0.000 0.578 25 G N 2.163 111.083 108.800 0.200 0.000 2.703 25 G HA2 -0.325 3.637 3.960 0.003 0.000 0.222 25 G HA3 -0.325 3.637 3.960 0.003 0.000 0.222 25 G C -0.553 174.490 174.900 0.238 0.000 1.183 25 G CA 1.271 46.480 45.100 0.182 0.000 0.775 25 G HN 0.230 nan 8.290 nan 0.000 0.615 26 P HA -0.017 nan 4.420 nan 0.000 0.215 26 P C 2.141 179.652 177.300 0.352 0.000 1.153 26 P CA 1.040 64.328 63.100 0.314 0.000 0.853 26 P CB -0.146 31.700 31.700 0.243 0.000 0.788 27 V N -0.223 119.866 119.914 0.293 0.000 2.229 27 V HA -0.216 3.905 4.120 0.003 0.000 0.243 27 V C 2.519 178.727 176.094 0.190 0.000 1.042 27 V CA 1.811 64.253 62.300 0.237 0.000 1.000 27 V CB -1.383 30.606 31.823 0.276 0.000 0.637 27 V HN -0.074 nan 8.190 nan 0.000 0.446 28 V N -0.140 119.897 119.914 0.204 0.000 2.236 28 V HA -0.395 3.727 4.120 0.003 0.000 0.255 28 V C 2.169 178.370 176.094 0.178 0.000 1.068 28 V CA 2.920 65.317 62.300 0.163 0.000 1.044 28 V CB -0.914 31.023 31.823 0.189 0.000 0.653 28 V HN 0.558 nan 8.190 nan 0.000 0.448 29 F N 0.591 120.606 119.950 0.107 0.000 2.043 29 F HA -0.274 4.255 4.527 0.003 0.000 0.297 29 F C 2.676 178.499 175.800 0.039 0.000 1.118 29 F CA 2.372 60.432 58.000 0.100 0.000 1.202 29 F CB -0.395 38.702 39.000 0.162 0.000 0.965 29 F HN 0.121 nan 8.300 nan 0.000 0.482 30 Q N 0.062 119.934 119.800 0.120 0.000 2.079 30 Q HA -0.134 4.208 4.340 0.003 0.000 0.200 30 Q C 2.583 178.451 176.000 -0.221 0.000 0.974 30 Q CA 1.634 57.375 55.803 -0.104 0.000 0.840 30 Q CB -1.096 27.643 28.738 0.002 0.000 0.898 30 Q HN 0.414 nan 8.270 nan 0.000 0.430 31 V N 0.817 120.657 119.914 -0.123 0.000 2.392 31 V HA -0.244 3.878 4.120 0.003 0.000 0.249 31 V C 2.235 178.190 176.094 -0.232 0.000 1.059 31 V CA 2.001 64.202 62.300 -0.164 0.000 1.051 31 V CB -0.412 31.359 31.823 -0.087 0.000 0.658 31 V HN 0.285 nan 8.190 nan 0.000 0.455 32 S N -1.489 114.098 115.700 -0.188 0.000 2.425 32 S HA -0.051 4.421 4.470 0.003 0.000 0.225 32 S C 2.076 176.497 174.600 -0.298 0.000 1.024 32 S CA 0.593 58.701 58.200 -0.154 0.000 0.951 32 S CB -0.204 63.002 63.200 0.009 0.000 0.796 32 S HN 0.470 nan 8.310 nan 0.000 0.498 33 R N 0.952 121.189 120.500 -0.438 0.000 2.096 33 R HA 0.017 4.358 4.340 0.003 0.000 0.235 33 R C 1.885 177.870 176.300 -0.526 0.000 1.127 33 R CA 1.069 56.856 56.100 -0.521 0.000 0.968 33 R CB -0.276 29.593 30.300 -0.719 0.000 0.861 33 R HN 0.368 nan 8.270 nan 0.000 0.440 34 L N -0.221 120.642 121.223 -0.600 0.000 2.179 34 L HA -0.072 4.270 4.340 0.003 0.000 0.208 34 L C 2.550 178.956 176.870 -0.773 0.000 1.096 34 L CA 0.623 54.948 54.840 -0.858 0.000 0.779 34 L CB -0.237 41.220 42.059 -1.003 0.000 0.922 34 L HN 0.242 nan 8.230 nan 0.000 0.443 35 M N -0.464 118.735 119.600 -0.669 0.000 2.279 35 M HA -0.200 4.282 4.480 0.003 0.000 0.264 35 M C 2.242 178.000 176.300 -0.903 0.000 1.062 35 M CA 1.566 56.374 55.300 -0.821 0.000 1.099 35 M CB -0.228 31.715 32.600 -1.096 0.000 1.394 35 M HN 0.326 nan 8.290 nan 0.000 0.426 36 L N -0.073 120.739 121.223 -0.686 0.000 1.961 36 L HA -0.259 4.083 4.340 0.003 0.000 0.209 36 L C 2.636 179.367 176.870 -0.232 0.000 1.075 36 L CA 1.549 56.202 54.840 -0.312 0.000 0.749 36 L CB -0.669 41.296 42.059 -0.156 0.000 0.890 36 L HN 0.272 nan 8.230 nan 0.000 0.433 37 K N -0.134 120.097 120.400 -0.281 0.000 2.044 37 K HA -0.231 4.091 4.320 0.003 0.000 0.210 37 K C 1.867 178.486 176.600 0.031 0.000 1.049 37 K CA 1.701 57.887 56.287 -0.168 0.000 0.927 37 K CB -0.158 32.175 32.500 -0.279 0.000 0.713 37 K HN 0.115 nan 8.250 nan 0.000 0.443 38 F N 0.595 120.432 119.950 -0.188 0.000 2.805 38 F HA 0.130 4.658 4.527 0.003 0.000 0.301 38 F C 1.627 177.332 175.800 -0.159 0.000 1.196 38 F CA 0.711 58.613 58.000 -0.164 0.000 1.439 38 F CB -0.852 38.041 39.000 -0.178 0.000 1.117 38 F HN 0.387 nan 8.300 nan 0.000 0.581 39 G N 0.626 109.432 108.800 0.010 0.000 2.168 39 G HA2 -0.340 3.622 3.960 0.003 0.000 0.257 39 G HA3 -0.340 3.622 3.960 0.003 0.000 0.257 39 G C 1.224 176.096 174.900 -0.047 0.000 0.997 39 G CA 0.610 45.694 45.100 -0.026 0.000 0.708 39 G HN 0.472 nan 8.290 nan 0.000 0.520 40 I N -0.998 119.507 120.570 -0.107 0.000 2.546 40 I HA -0.024 4.148 4.170 0.003 0.000 0.255 40 I C 2.367 178.487 176.117 0.004 0.000 1.163 40 I CA 0.672 61.909 61.300 -0.104 0.000 1.457 40 I CB -0.465 37.435 38.000 -0.166 0.000 1.092 40 I HN 0.116 nan 8.210 nan 0.000 0.434 41 F N 1.270 121.206 119.950 -0.022 0.000 2.084 41 F HA -0.155 4.374 4.527 0.003 0.000 0.296 41 F C 2.686 178.489 175.800 0.005 0.000 1.111 41 F CA 0.998 58.994 58.000 -0.007 0.000 1.224 41 F CB -1.207 37.774 39.000 -0.032 0.000 0.991 41 F HN 0.033 nan 8.300 nan 0.000 0.471 42 Q N 0.967 120.877 119.800 0.183 0.000 1.861 42 Q HA -0.267 4.075 4.340 0.003 0.000 0.242 42 Q C 2.537 178.590 176.000 0.089 0.000 1.025 42 Q CA 1.970 57.828 55.803 0.092 0.000 0.886 42 Q CB -1.434 27.327 28.738 0.039 0.000 0.969 42 Q HN 0.498 nan 8.270 nan 0.000 0.418 43 L N -0.169 121.074 121.223 0.033 0.000 2.082 43 L HA -0.307 4.035 4.340 0.003 0.000 0.223 43 L C 2.227 179.174 176.870 0.127 0.000 1.086 43 L CA 1.894 56.722 54.840 -0.019 0.000 0.793 43 L CB -0.384 41.579 42.059 -0.161 0.000 0.896 43 L HN 0.314 nan 8.230 nan 0.000 0.441 44 L N 0.166 121.499 121.223 0.183 0.000 2.141 44 L HA -0.142 4.200 4.340 0.003 0.000 0.209 44 L C 2.905 179.918 176.870 0.238 0.000 1.094 44 L CA 1.899 56.910 54.840 0.285 0.000 0.763 44 L CB -0.752 41.471 42.059 0.273 0.000 0.908 44 L HN 0.546 nan 8.230 nan 0.000 0.437 45 S N -1.618 114.195 115.700 0.189 0.000 2.555 45 S HA 0.022 4.494 4.470 0.003 0.000 0.230 45 S C 1.760 176.448 174.600 0.146 0.000 0.978 45 S CA 0.360 58.655 58.200 0.159 0.000 0.934 45 S CB -0.763 62.516 63.200 0.132 0.000 0.766 45 S HN 0.363 nan 8.310 nan 0.000 0.533 46 G N 1.896 110.801 108.800 0.175 0.000 2.630 46 G HA2 0.016 3.978 3.960 0.003 0.000 0.195 46 G HA3 0.016 3.978 3.960 0.003 0.000 0.195 46 G C 0.196 175.184 174.900 0.146 0.000 1.493 46 G CA -0.163 45.039 45.100 0.170 0.000 0.890 46 G HN 0.458 nan 8.290 nan 0.000 0.475 47 K N 1.462 121.959 120.400 0.162 0.000 2.253 47 K HA 0.051 4.373 4.320 0.003 0.000 0.273 47 K C 1.783 178.355 176.600 -0.047 0.000 1.118 47 K CA 0.296 56.560 56.287 -0.037 0.000 1.100 47 K CB 0.129 32.420 32.500 -0.349 0.000 0.932 47 K HN 0.433 nan 8.250 nan 0.000 0.433 48 R N 2.442 122.937 120.500 -0.009 0.000 2.196 48 R HA -0.309 4.032 4.340 0.003 0.000 0.259 48 R C 1.128 177.408 176.300 -0.034 0.000 1.154 48 R CA 2.233 58.330 56.100 -0.005 0.000 0.976 48 R CB -0.210 30.086 30.300 -0.006 0.000 0.888 48 R HN 0.589 nan 8.270 nan 0.000 0.453 49 E N 0.276 120.427 120.200 -0.081 0.000 2.209 49 E HA 0.009 4.361 4.350 0.003 0.000 0.196 49 E C 0.548 177.082 176.600 -0.110 0.000 0.993 49 E CA 1.312 57.651 56.400 -0.101 0.000 0.819 49 E CB -0.367 29.252 29.700 -0.136 0.000 0.745 49 E HN 0.663 nan 8.360 nan 0.000 0.477 50 G N -1.620 107.095 108.800 -0.141 0.000 2.712 50 G HA2 -0.239 3.722 3.960 0.003 0.000 0.686 50 G HA3 -0.239 3.722 3.960 0.003 0.000 0.686 50 G C -0.830 173.941 174.900 -0.214 0.000 1.321 50 G CA -0.282 44.776 45.100 -0.070 0.000 0.813 50 G HN 0.108 nan 8.290 nan 0.000 0.599 51 Y N -0.331 120.030 120.300 0.101 0.000 2.534 51 Y HA 0.727 5.279 4.550 0.003 0.000 0.329 51 Y C 1.367 177.347 175.900 0.134 0.000 1.154 51 Y CA 0.071 58.230 58.100 0.098 0.000 1.192 51 Y CB 1.968 40.484 38.460 0.093 0.000 1.275 51 Y HN 0.735 nan 8.280 nan 0.000 0.491 52 T N 1.053 115.782 114.554 0.291 0.000 2.902 52 T HA 0.133 4.485 4.350 0.003 0.000 0.280 52 T C 0.873 175.725 174.700 0.253 0.000 0.992 52 T CA -0.510 61.712 62.100 0.203 0.000 1.015 52 T CB 0.632 69.578 68.868 0.131 0.000 1.044 52 T HN 0.612 nan 8.240 nan 0.000 0.520 53 L N 2.504 123.873 121.223 0.244 0.000 1.994 53 L HA -0.008 4.334 4.340 0.003 0.000 0.208 53 L C 2.547 179.485 176.870 0.113 0.000 1.071 53 L CA 1.921 56.885 54.840 0.206 0.000 0.745 53 L CB -1.054 41.127 42.059 0.205 0.000 0.892 53 L HN 0.803 nan 8.230 nan 0.000 0.431 54 Q N -0.354 119.504 119.800 0.098 0.000 2.045 54 Q HA -0.286 4.055 4.340 0.003 0.000 0.206 54 Q C 2.020 178.057 176.000 0.060 0.000 0.991 54 Q CA 2.573 58.416 55.803 0.066 0.000 0.851 54 Q CB -0.174 28.600 28.738 0.060 0.000 0.911 54 Q HN 0.713 nan 8.270 nan 0.000 0.418 55 E N 0.116 120.373 120.200 0.095 0.000 2.118 55 E HA -0.212 4.140 4.350 0.003 0.000 0.195 55 E C 2.035 178.641 176.600 0.011 0.000 0.992 55 E CA 1.295 57.752 56.400 0.095 0.000 0.804 55 E CB -0.191 29.651 29.700 0.237 0.000 0.741 55 E HN 0.493 nan 8.360 nan 0.000 0.458 56 I N 1.464 122.048 120.570 0.023 0.000 2.286 56 I HA -0.175 3.997 4.170 0.003 0.000 0.245 56 I C 2.494 178.573 176.117 -0.063 0.000 1.104 56 I CA 1.053 62.325 61.300 -0.046 0.000 1.397 56 I CB -1.323 36.673 38.000 -0.006 0.000 1.072 56 I HN 0.039 nan 8.210 nan 0.000 0.417 57 S N 2.041 117.721 115.700 -0.033 0.000 2.348 57 S HA -0.104 4.368 4.470 0.003 0.000 0.221 57 S C 2.282 176.849 174.600 -0.055 0.000 1.033 57 S CA 1.173 59.347 58.200 -0.044 0.000 1.010 57 S CB -1.473 61.716 63.200 -0.018 0.000 0.891 57 S HN 0.502 nan 8.310 nan 0.000 0.442 58 G N 3.071 111.848 108.800 -0.037 0.000 2.514 58 G HA2 -0.256 3.706 3.960 0.003 0.000 0.217 58 G HA3 -0.256 3.706 3.960 0.003 0.000 0.217 58 G C 1.554 176.416 174.900 -0.064 0.000 1.198 58 G CA 0.775 45.851 45.100 -0.040 0.000 0.780 58 G HN 0.331 nan 8.290 nan 0.000 0.565 59 R N 0.424 120.872 120.500 -0.087 0.000 2.170 59 R HA -0.094 4.247 4.340 0.003 0.000 0.242 59 R C 2.658 178.888 176.300 -0.116 0.000 1.145 59 R CA 1.879 57.906 56.100 -0.120 0.000 0.984 59 R CB -1.159 29.014 30.300 -0.213 0.000 0.869 59 R HN 0.629 nan 8.270 nan 0.000 0.455 60 T N -4.882 109.602 114.554 -0.117 0.000 3.000 60 T HA 0.267 4.619 4.350 0.003 0.000 0.248 60 T C 1.381 175.990 174.700 -0.152 0.000 1.034 60 T CA 0.610 62.631 62.100 -0.132 0.000 1.060 60 T CB 0.699 69.485 68.868 -0.136 0.000 0.983 60 T HN 0.331 nan 8.240 nan 0.000 0.482 61 G N 1.448 110.172 108.800 -0.126 0.000 2.157 61 G HA2 -0.193 3.769 3.960 0.003 0.000 0.248 61 G HA3 -0.193 3.769 3.960 0.003 0.000 0.248 61 G C -0.075 174.735 174.900 -0.150 0.000 0.979 61 G CA 0.080 45.105 45.100 -0.125 0.000 0.650 61 G HN 0.597 nan 8.290 nan 0.000 0.529 62 L N 0.232 121.358 121.223 -0.161 0.000 2.418 62 L HA 0.372 4.714 4.340 0.003 0.000 0.265 62 L C 2.141 178.969 176.870 -0.070 0.000 1.143 62 L CA 0.094 54.840 54.840 -0.157 0.000 0.809 62 L CB 0.904 42.866 42.059 -0.162 0.000 1.124 62 L HN 0.122 nan 8.230 nan 0.000 0.456 63 T N 0.475 115.013 114.554 -0.027 0.000 2.977 63 T HA -0.157 4.194 4.350 0.003 0.000 0.271 63 T C 1.378 176.106 174.700 0.047 0.000 1.105 63 T CA 1.521 63.636 62.100 0.026 0.000 1.116 63 T CB -0.184 68.738 68.868 0.089 0.000 0.878 63 T HN 0.755 nan 8.240 nan 0.000 0.509 64 R N -1.959 118.558 120.500 0.029 0.000 1.322 64 R HA -0.271 4.071 4.340 0.003 0.000 0.064 64 R C 1.282 177.613 176.300 0.052 0.000 0.942 64 R CA 1.846 57.966 56.100 0.034 0.000 1.964 64 R CB -1.951 28.379 30.300 0.051 0.000 0.343 64 R HN 0.330 nan 8.270 nan 0.000 0.717 65 Y N 1.569 121.864 120.300 -0.008 0.000 2.070 65 Y HA -0.020 4.532 4.550 0.003 0.000 0.280 65 Y C 2.453 178.350 175.900 -0.006 0.000 1.148 65 Y CA 3.470 61.568 58.100 -0.004 0.000 1.125 65 Y CB -0.931 37.528 38.460 -0.003 0.000 0.975 65 Y HN 0.462 nan 8.280 nan 0.000 0.492 66 A N 0.402 123.218 122.820 -0.007 0.000 2.042 66 A HA -0.183 4.139 4.320 0.003 0.000 0.222 66 A C 2.285 179.784 177.584 -0.141 0.000 1.167 66 A CA 2.258 54.238 52.037 -0.096 0.000 0.649 66 A CB -1.420 17.613 19.000 0.054 0.000 0.809 66 A HN 0.732 nan 8.150 nan 0.000 0.457 67 A N -1.613 121.138 122.820 -0.114 0.000 1.973 67 A HA 0.060 4.382 4.320 0.003 0.000 0.210 67 A C 2.079 179.568 177.584 -0.158 0.000 1.200 67 A CA 1.156 53.128 52.037 -0.108 0.000 0.707 67 A CB -0.399 18.557 19.000 -0.073 0.000 0.862 67 A HN 0.560 nan 8.150 nan 0.000 0.461 68 Q N -0.093 119.618 119.800 -0.149 0.000 2.061 68 Q HA -0.147 4.195 4.340 0.003 0.000 0.204 68 Q C 1.908 177.797 176.000 -0.186 0.000 0.984 68 Q CA 2.078 57.801 55.803 -0.133 0.000 0.846 68 Q CB -0.242 28.452 28.738 -0.073 0.000 0.902 68 Q HN 0.341 nan 8.270 nan 0.000 0.421 69 V N 0.719 120.462 119.914 -0.285 0.000 2.332 69 V HA -0.290 3.832 4.120 0.003 0.000 0.248 69 V C 2.245 178.216 176.094 -0.204 0.000 1.055 69 V CA 1.724 63.849 62.300 -0.291 0.000 1.038 69 V CB -0.377 31.138 31.823 -0.513 0.000 0.651 69 V HN 0.389 nan 8.190 nan 0.000 0.450 70 L N -1.168 119.936 121.223 -0.199 0.000 2.027 70 L HA -0.163 4.179 4.340 0.003 0.000 0.206 70 L C 2.342 179.100 176.870 -0.187 0.000 1.074 70 L CA 1.416 56.149 54.840 -0.177 0.000 0.745 70 L CB -0.516 41.439 42.059 -0.173 0.000 0.898 70 L HN 0.273 nan 8.230 nan 0.000 0.433 71 L N -0.517 120.560 121.223 -0.244 0.000 2.017 71 L HA -0.213 4.129 4.340 0.003 0.000 0.208 71 L C 2.656 179.394 176.870 -0.220 0.000 1.073 71 L CA 1.399 56.024 54.840 -0.359 0.000 0.745 71 L CB -0.580 41.068 42.059 -0.686 0.000 0.894 71 L HN 0.314 nan 8.230 nan 0.000 0.432 72 E N 0.190 120.306 120.200 -0.139 0.000 2.077 72 E HA -0.227 4.125 4.350 0.003 0.000 0.193 72 E C 2.281 178.854 176.600 -0.045 0.000 0.989 72 E CA 1.224 57.599 56.400 -0.042 0.000 0.800 72 E CB -0.187 29.494 29.700 -0.032 0.000 0.746 72 E HN 0.519 nan 8.360 nan 0.000 0.452 73 A N 1.194 123.968 122.820 -0.078 0.000 1.898 73 A HA -0.148 4.173 4.320 0.003 0.000 0.216 73 A C 2.391 179.951 177.584 -0.039 0.000 1.181 73 A CA 1.542 53.535 52.037 -0.074 0.000 0.620 73 A CB -0.420 18.529 19.000 -0.086 0.000 0.819 73 A HN 0.099 nan 8.150 nan 0.000 0.442 74 S N -0.574 115.106 115.700 -0.033 0.000 2.383 74 S HA -0.114 4.358 4.470 0.003 0.000 0.227 74 S C 1.847 176.480 174.600 0.055 0.000 1.026 74 S CA 1.258 59.474 58.200 0.027 0.000 0.981 74 S CB -0.430 62.797 63.200 0.043 0.000 0.818 74 S HN 0.486 nan 8.310 nan 0.000 0.472 75 L N 2.181 123.434 121.223 0.050 0.000 1.990 75 L HA -0.183 4.158 4.340 0.003 0.000 0.213 75 L C 2.627 179.538 176.870 0.069 0.000 1.072 75 L CA 2.572 57.476 54.840 0.107 0.000 0.755 75 L CB -1.418 40.741 42.059 0.167 0.000 0.889 75 L HN 0.507 nan 8.230 nan 0.000 0.432 76 T N -3.139 111.435 114.554 0.033 0.000 2.904 76 T HA -0.099 4.253 4.350 0.003 0.000 0.267 76 T C 2.052 176.758 174.700 0.011 0.000 1.059 76 T CA 1.344 63.451 62.100 0.011 0.000 1.137 76 T CB -0.802 68.051 68.868 -0.025 0.000 0.879 76 T HN 0.388 nan 8.240 nan 0.000 0.467 77 I N 1.551 122.130 120.570 0.015 0.000 2.264 77 I HA 0.019 4.191 4.170 0.003 0.000 0.248 77 I C 2.265 178.408 176.117 0.043 0.000 1.111 77 I CA 1.569 62.888 61.300 0.031 0.000 1.382 77 I CB -0.790 37.239 38.000 0.049 0.000 1.060 77 I HN 0.648 nan 8.210 nan 0.000 0.418 78 G N 0.489 109.321 108.800 0.053 0.000 2.138 78 G HA2 -0.241 3.721 3.960 0.003 0.000 0.193 78 G HA3 -0.241 3.721 3.960 0.003 0.000 0.193 78 G C 0.810 175.747 174.900 0.062 0.000 0.998 78 G CA 0.513 45.646 45.100 0.055 0.000 0.668 78 G HN 0.377 nan 8.290 nan 0.000 0.516 79 T N -1.460 113.142 114.554 0.081 0.000 3.067 79 T HA 0.546 4.898 4.350 0.003 0.000 0.257 79 T C 1.389 176.132 174.700 0.072 0.000 1.105 79 T CA 1.142 63.275 62.100 0.056 0.000 1.104 79 T CB 0.110 69.044 68.868 0.109 0.000 0.925 79 T HN 1.476 nan 8.240 nan 0.000 0.498 80 I N -2.330 118.321 120.570 0.135 0.000 3.516 80 I HA 0.840 5.011 4.170 0.003 0.000 0.302 80 I C -1.701 174.515 176.117 0.164 0.000 1.143 80 I CA -2.093 59.308 61.300 0.168 0.000 1.003 80 I CB 2.376 40.511 38.000 0.225 0.000 1.347 80 I HN 0.091 nan 8.210 nan 0.000 0.486 81 L N 1.582 122.930 121.223 0.208 0.000 2.643 81 L HA 0.512 4.854 4.340 0.003 0.000 0.256 81 L C -2.304 174.642 176.870 0.127 0.000 0.931 81 L CA -0.681 54.243 54.840 0.140 0.000 0.895 81 L CB 2.298 44.411 42.059 0.089 0.000 1.430 81 L HN 0.709 nan 8.230 nan 0.000 0.419 82 L N 3.154 124.398 121.223 0.035 0.000 2.307 82 L HA 0.537 4.879 4.340 0.003 0.000 0.284 82 L C -0.872 175.933 176.870 -0.108 0.000 1.023 82 L CA 0.318 55.086 54.840 -0.120 0.000 0.810 82 L CB 1.616 43.575 42.059 -0.166 0.000 1.231 82 L HN 0.579 nan 8.230 nan 0.000 0.423 83 E N 5.031 125.143 120.200 -0.147 0.000 2.235 83 E HA 0.307 4.659 4.350 0.003 0.000 0.252 83 E C -0.279 176.253 176.600 -0.113 0.000 0.886 83 E CA -0.354 55.987 56.400 -0.098 0.000 0.767 83 E CB 1.113 30.776 29.700 -0.062 0.000 1.205 83 E HN 0.744 nan 8.360 nan 0.000 0.421 84 E N 1.770 121.915 120.200 -0.093 0.000 3.466 84 E HA -0.309 4.043 4.350 0.003 0.000 0.425 84 E C 0.350 176.876 176.600 -0.124 0.000 1.529 84 E CA 2.178 58.528 56.400 -0.085 0.000 1.326 84 E CB -0.670 28.992 29.700 -0.063 0.000 1.408 84 E HN 0.723 nan 8.360 nan 0.000 0.411 85 D N 1.226 121.551 120.400 -0.125 0.000 2.599 85 D HA 0.203 4.845 4.640 0.003 0.000 0.249 85 D C -0.289 175.906 176.300 -0.175 0.000 1.313 85 D CA -0.022 53.889 54.000 -0.149 0.000 0.815 85 D CB 0.183 40.942 40.800 -0.068 0.000 1.077 85 D HN 0.147 nan 8.370 nan 0.000 0.492 86 R N 0.050 120.427 120.500 -0.204 0.000 2.621 86 R HA 0.427 4.769 4.340 0.003 0.000 0.292 86 R C -1.151 175.042 176.300 -0.178 0.000 0.969 86 R CA -0.755 55.270 56.100 -0.124 0.000 0.887 86 R CB 1.624 31.897 30.300 -0.044 0.000 1.180 86 R HN -0.054 nan 8.270 nan 0.000 0.450 87 Y N 0.901 121.244 120.300 0.072 0.000 2.299 87 Y HA 0.326 4.878 4.550 0.003 0.000 0.326 87 Y C 0.464 176.418 175.900 0.090 0.000 1.164 87 Y CA -0.394 57.754 58.100 0.080 0.000 1.234 87 Y CB 1.332 39.849 38.460 0.096 0.000 1.219 87 Y HN 0.176 nan 8.280 nan 0.000 0.497 88 V N 4.487 124.532 119.914 0.218 0.000 2.715 88 V HA 0.268 4.389 4.120 0.003 0.000 0.310 88 V C -0.553 175.648 176.094 0.178 0.000 1.054 88 V CA -1.156 61.240 62.300 0.161 0.000 0.928 88 V CB 2.062 33.936 31.823 0.086 0.000 1.007 88 V HN 0.555 nan 8.190 nan 0.000 0.437 89 L N 4.235 125.556 121.223 0.163 0.000 2.453 89 L HA 0.585 4.926 4.340 0.003 0.000 0.272 89 L C 0.421 177.348 176.870 0.094 0.000 1.182 89 L CA 0.856 55.779 54.840 0.139 0.000 0.858 89 L CB 0.602 42.745 42.059 0.139 0.000 1.120 89 L HN 0.825 nan 8.230 nan 0.000 0.474 90 A N 4.844 127.705 122.820 0.069 0.000 2.263 90 A HA 0.467 4.789 4.320 0.003 0.000 0.318 90 A C 0.941 178.569 177.584 0.073 0.000 1.111 90 A CA -0.417 51.655 52.037 0.059 0.000 0.901 90 A CB 0.582 19.616 19.000 0.057 0.000 1.280 90 A HN 0.855 nan 8.150 nan 0.000 0.503 91 K N -0.227 120.222 120.400 0.082 0.000 2.103 91 K HA -0.152 4.170 4.320 0.003 0.000 0.207 91 K C 1.985 178.758 176.600 0.288 0.000 1.048 91 K CA 1.507 57.888 56.287 0.157 0.000 0.930 91 K CB -0.273 32.301 32.500 0.123 0.000 0.716 91 K HN 0.665 nan 8.250 nan 0.000 0.444 92 A N 1.300 124.212 122.820 0.153 0.000 1.929 92 A HA -0.028 4.294 4.320 0.003 0.000 0.216 92 A C 2.435 180.024 177.584 0.009 0.000 1.176 92 A CA 1.612 53.725 52.037 0.126 0.000 0.628 92 A CB -0.980 18.050 19.000 0.049 0.000 0.816 92 A HN 0.401 nan 8.150 nan 0.000 0.444 93 G N -1.323 107.379 108.800 -0.164 0.000 2.446 93 G HA2 -0.309 3.653 3.960 0.003 0.000 0.217 93 G HA3 -0.309 3.653 3.960 0.003 0.000 0.217 93 G C 1.388 175.990 174.900 -0.496 0.000 1.168 93 G CA 1.081 45.768 45.100 -0.687 0.000 0.771 93 G HN 0.673 nan 8.290 nan 0.000 0.551 94 W N 0.789 121.916 121.300 -0.288 0.000 2.317 94 W HA -0.095 4.567 4.660 0.003 0.000 0.318 94 W C 2.301 178.692 176.519 -0.214 0.000 1.227 94 W CA 1.666 58.879 57.345 -0.220 0.000 1.269 94 W CB -0.467 28.886 29.460 -0.178 0.000 1.155 94 W HN 0.154 nan 8.180 nan 0.000 0.484 95 F N 0.147 120.235 119.950 0.231 0.000 2.161 95 F HA -0.246 4.283 4.527 0.003 0.000 0.300 95 F C 2.284 178.009 175.800 -0.125 0.000 1.089 95 F CA 1.652 59.709 58.000 0.095 0.000 1.282 95 F CB -0.876 38.231 39.000 0.180 0.000 1.010 95 F HN -0.143 nan 8.300 nan 0.000 0.485 96 L N -1.156 120.065 121.223 -0.004 0.000 2.056 96 L HA -0.198 4.144 4.340 0.003 0.000 0.207 96 L C 2.386 179.192 176.870 -0.106 0.000 1.078 96 L CA 0.408 55.225 54.840 -0.040 0.000 0.749 96 L CB -0.612 41.428 42.059 -0.032 0.000 0.901 96 L HN 0.155 nan 8.230 nan 0.000 0.433 97 L N 0.229 121.306 121.223 -0.243 0.000 1.989 97 L HA -0.200 4.142 4.340 0.003 0.000 0.211 97 L C 1.869 178.520 176.870 -0.363 0.000 1.071 97 L CA 1.987 56.687 54.840 -0.233 0.000 0.749 97 L CB -0.761 41.116 42.059 -0.303 0.000 0.890 97 L HN 0.337 nan 8.230 nan 0.000 0.431 98 N N -1.123 117.165 118.700 -0.687 0.000 2.220 98 N HA 0.024 4.765 4.740 0.003 0.000 0.195 98 N C -0.358 174.809 175.510 -0.572 0.000 1.123 98 N CA 0.024 52.599 53.050 -0.792 0.000 0.874 98 N CB 0.554 38.135 38.487 -1.510 0.000 0.995 98 N HN 0.347 nan 8.380 nan 0.000 0.498 99 D N 1.149 121.318 120.400 -0.384 0.000 2.274 99 D HA 0.110 4.752 4.640 0.003 0.000 0.239 99 D C 1.056 177.329 176.300 -0.045 0.000 1.104 99 D CA -0.312 53.616 54.000 -0.120 0.000 0.840 99 D CB 1.753 42.632 40.800 0.131 0.000 1.100 99 D HN -0.271 nan 8.370 nan 0.000 0.477 100 K N 3.918 124.322 120.400 0.006 0.000 2.057 100 K HA -0.074 4.248 4.320 0.003 0.000 0.207 100 K C 1.893 178.427 176.600 -0.110 0.000 1.049 100 K CA 1.374 57.672 56.287 0.019 0.000 0.931 100 K CB -0.283 32.308 32.500 0.151 0.000 0.714 100 K HN 0.594 nan 8.250 nan 0.000 0.440 101 M N -0.386 119.157 119.600 -0.095 0.000 2.108 101 M HA -0.166 4.316 4.480 0.003 0.000 0.261 101 M C 1.921 178.077 176.300 -0.239 0.000 1.066 101 M CA 1.965 56.988 55.300 -0.463 0.000 1.107 101 M CB -0.215 32.369 32.600 -0.027 0.000 1.356 101 M HN 0.289 nan 8.290 nan 0.000 0.406 102 A N 0.044 122.839 122.820 -0.041 0.000 1.969 102 A HA -0.164 4.158 4.320 0.003 0.000 0.218 102 A C 2.022 179.612 177.584 0.009 0.000 1.169 102 A CA 1.516 53.571 52.037 0.031 0.000 0.635 102 A CB -0.512 18.542 19.000 0.089 0.000 0.810 102 A HN 0.518 nan 8.150 nan 0.000 0.445 103 R N -0.771 119.706 120.500 -0.038 0.000 2.073 103 R HA -0.029 4.313 4.340 0.003 0.000 0.229 103 R C 2.063 178.352 176.300 -0.018 0.000 1.120 103 R CA 1.288 57.373 56.100 -0.026 0.000 0.967 103 R CB -0.492 29.784 30.300 -0.040 0.000 0.862 103 R HN 0.366 nan 8.270 nan 0.000 0.436 104 V N 1.839 121.688 119.914 -0.109 0.000 2.231 104 V HA -0.337 3.785 4.120 0.003 0.000 0.248 104 V C 1.608 177.741 176.094 0.065 0.000 1.054 104 V CA 2.289 64.531 62.300 -0.097 0.000 1.015 104 V CB -0.760 30.812 31.823 -0.417 0.000 0.638 104 V HN 0.434 nan 8.190 nan 0.000 0.444 105 N N -0.185 118.552 118.700 0.062 0.000 2.043 105 N HA -0.263 4.479 4.740 0.003 0.000 0.193 105 N C 1.915 177.601 175.510 0.293 0.000 1.037 105 N CA 1.823 55.007 53.050 0.224 0.000 0.851 105 N CB -0.302 38.300 38.487 0.191 0.000 1.027 105 N HN 0.430 nan 8.380 nan 0.000 0.422 106 M N 1.125 120.869 119.600 0.240 0.000 2.106 106 M HA -0.228 4.254 4.480 0.003 0.000 0.259 106 M C 2.015 178.507 176.300 0.320 0.000 1.068 106 M CA 1.685 57.166 55.300 0.301 0.000 1.100 106 M CB 0.067 32.722 32.600 0.092 0.000 1.351 106 M HN 0.129 nan 8.290 nan 0.000 0.404 107 E N -0.784 119.548 120.200 0.220 0.000 2.072 107 E HA -0.187 4.165 4.350 0.003 0.000 0.190 107 E C 1.697 178.479 176.600 0.302 0.000 0.982 107 E CA 1.266 57.797 56.400 0.218 0.000 0.803 107 E CB -0.201 29.586 29.700 0.145 0.000 0.755 107 E HN 0.543 nan 8.360 nan 0.000 0.453 108 F N 2.130 122.142 119.950 0.104 0.000 2.065 108 F HA -0.271 4.258 4.527 0.003 0.000 0.298 108 F C 1.861 177.693 175.800 0.052 0.000 1.112 108 F CA 1.676 59.689 58.000 0.022 0.000 1.212 108 F CB -0.440 38.512 39.000 -0.081 0.000 0.975 108 F HN 0.055 nan 8.300 nan 0.000 0.476 109 N N -0.779 117.980 118.700 0.099 0.000 2.142 109 N HA -0.199 4.543 4.740 0.003 0.000 0.186 109 N C 1.863 177.424 175.510 0.086 0.000 1.023 109 N CA 1.610 54.624 53.050 -0.059 0.000 0.852 109 N CB -0.809 37.648 38.487 -0.050 0.000 0.998 109 N HN 0.514 nan 8.380 nan 0.000 0.424 110 H N 1.026 120.306 119.070 0.351 0.000 2.261 110 H HA -0.005 4.553 4.556 0.003 0.000 0.301 110 H C 1.188 176.627 175.328 0.185 0.000 1.067 110 H CA 1.795 58.049 56.048 0.344 0.000 1.297 110 H CB 0.020 29.979 29.762 0.330 0.000 1.377 110 H HN 0.072 nan 8.280 nan 0.000 0.492 111 D N -0.504 120.067 120.400 0.285 0.000 2.178 111 D HA -0.101 4.541 4.640 0.003 0.000 0.202 111 D C 2.030 178.424 176.300 0.157 0.000 0.974 111 D CA 1.394 55.523 54.000 0.214 0.000 0.841 111 D CB 0.231 41.163 40.800 0.220 0.000 0.953 111 D HN 0.304 nan 8.370 nan 0.000 0.478 112 V N 0.700 120.643 119.914 0.049 0.000 3.048 112 V HA 0.050 4.171 4.120 0.003 0.000 0.241 112 V C 1.636 177.723 176.094 -0.011 0.000 1.129 112 V CA 0.562 62.877 62.300 0.025 0.000 1.128 112 V CB 0.067 31.779 31.823 -0.184 0.000 0.849 112 V HN 0.030 nan 8.190 nan 0.000 0.475 113 N N -0.986 117.591 118.700 -0.205 0.000 2.454 113 N HA 0.030 4.771 4.740 0.003 0.000 0.177 113 N C 1.621 177.032 175.510 -0.166 0.000 1.049 113 N CA 0.514 53.431 53.050 -0.221 0.000 0.887 113 N CB -0.107 38.157 38.487 -0.372 0.000 1.095 113 N HN 0.474 nan 8.380 nan 0.000 0.446 114 Y N 2.711 122.862 120.300 -0.249 0.000 1.977 114 Y HA -0.337 4.215 4.550 0.003 0.000 0.264 114 Y C 2.432 178.210 175.900 -0.203 0.000 1.167 114 Y CA 2.257 60.198 58.100 -0.264 0.000 1.102 114 Y CB -0.314 37.975 38.460 -0.284 0.000 0.948 114 Y HN 0.083 nan 8.280 nan 0.000 0.489 115 Q N -0.892 118.917 119.800 0.014 0.000 2.096 115 Q HA -0.190 4.152 4.340 0.003 0.000 0.204 115 Q C 2.435 178.352 176.000 -0.139 0.000 0.982 115 Q CA 1.402 57.159 55.803 -0.078 0.000 0.850 115 Q CB -0.651 28.021 28.738 -0.109 0.000 0.901 115 Q HN 0.695 nan 8.270 nan 0.000 0.422 116 G N 0.350 109.062 108.800 -0.146 0.000 2.484 116 G HA2 -0.155 3.807 3.960 0.003 0.000 0.218 116 G HA3 -0.155 3.807 3.960 0.003 0.000 0.218 116 G C 1.309 176.181 174.900 -0.046 0.000 1.130 116 G CA 0.137 45.210 45.100 -0.045 0.000 0.784 116 G HN 0.177 nan 8.290 nan 0.000 0.543 117 L N -0.511 120.611 121.223 -0.168 0.000 2.275 117 L HA 0.059 4.401 4.340 0.003 0.000 0.215 117 L C 2.384 179.128 176.870 -0.209 0.000 1.119 117 L CA 0.417 55.136 54.840 -0.201 0.000 0.790 117 L CB -0.271 41.616 42.059 -0.287 0.000 0.919 117 L HN 0.300 nan 8.230 nan 0.000 0.443 118 F N 0.313 120.017 119.950 -0.411 0.000 2.307 118 F HA -0.221 4.308 4.527 0.003 0.000 0.301 118 F C 1.660 177.143 175.800 -0.529 0.000 1.076 118 F CA 1.447 59.150 58.000 -0.494 0.000 1.383 118 F CB -0.136 38.522 39.000 -0.570 0.000 1.055 118 F HN 0.216 nan 8.300 nan 0.000 0.526 119 H N -0.781 118.242 119.070 -0.079 0.000 2.507 119 H HA 0.143 4.701 4.556 0.003 0.000 0.294 119 H C 1.569 176.806 175.328 -0.152 0.000 1.064 119 H CA 0.041 56.015 56.048 -0.123 0.000 1.138 119 H CB 0.152 29.885 29.762 -0.048 0.000 1.515 119 H HN 0.250 nan 8.280 nan 0.000 0.547 120 L N 1.000 122.150 121.223 -0.121 0.000 2.131 120 L HA -0.138 4.203 4.340 0.003 0.000 0.210 120 L C 2.186 178.990 176.870 -0.110 0.000 1.092 120 L CA 1.747 56.517 54.840 -0.116 0.000 0.759 120 L CB -0.257 41.711 42.059 -0.151 0.000 0.903 120 L HN 0.384 nan 8.230 nan 0.000 0.435 121 E N -0.482 119.632 120.200 -0.144 0.000 2.051 121 E HA -0.278 4.074 4.350 0.003 0.000 0.192 121 E C 1.885 178.435 176.600 -0.083 0.000 0.991 121 E CA 1.705 58.030 56.400 -0.126 0.000 0.799 121 E CB 0.037 29.639 29.700 -0.164 0.000 0.748 121 E HN 0.635 nan 8.360 nan 0.000 0.449 122 E N 0.443 120.606 120.200 -0.063 0.000 2.106 122 E HA -0.105 4.247 4.350 0.003 0.000 0.192 122 E C 1.849 178.424 176.600 -0.041 0.000 0.984 122 E CA 1.087 57.463 56.400 -0.041 0.000 0.806 122 E CB -0.264 29.425 29.700 -0.017 0.000 0.750 122 E HN 0.355 nan 8.360 nan 0.000 0.458 123 A N 0.716 123.512 122.820 -0.040 0.000 1.933 123 A HA -0.148 4.174 4.320 0.003 0.000 0.218 123 A C 2.147 179.704 177.584 -0.044 0.000 1.175 123 A CA 1.153 53.164 52.037 -0.043 0.000 0.628 123 A CB -0.617 18.354 19.000 -0.048 0.000 0.814 123 A HN 0.209 nan 8.150 nan 0.000 0.444 124 L N -0.923 120.269 121.223 -0.052 0.000 2.240 124 L HA -0.055 4.287 4.340 0.003 0.000 0.211 124 L C 2.380 179.225 176.870 -0.042 0.000 1.106 124 L CA 0.503 55.314 54.840 -0.049 0.000 0.793 124 L CB -0.251 41.772 42.059 -0.060 0.000 0.927 124 L HN 0.374 nan 8.230 nan 0.000 0.446 125 L N -0.782 120.416 121.223 -0.043 0.000 2.102 125 L HA -0.087 4.254 4.340 0.003 0.000 0.202 125 L C 1.622 178.475 176.870 -0.030 0.000 1.076 125 L CA 1.409 56.227 54.840 -0.037 0.000 0.761 125 L CB -0.337 41.698 42.059 -0.040 0.000 0.921 125 L HN 0.309 nan 8.230 nan 0.000 0.444 126 N N -0.469 118.213 118.700 -0.030 0.000 2.412 126 N HA 0.074 4.815 4.740 0.003 0.000 0.184 126 N C 0.996 176.494 175.510 -0.020 0.000 1.101 126 N CA 0.561 53.596 53.050 -0.025 0.000 0.881 126 N CB 0.449 38.918 38.487 -0.029 0.000 0.969 126 N HN 0.364 nan 8.380 nan 0.000 0.459 127 G N 1.373 110.161 108.800 -0.020 0.000 2.198 127 G HA2 -0.322 3.640 3.960 0.003 0.000 0.260 127 G HA3 -0.322 3.640 3.960 0.003 0.000 0.260 127 G C -0.113 174.783 174.900 -0.007 0.000 1.025 127 G CA 0.693 45.785 45.100 -0.013 0.000 0.769 127 G HN 0.482 nan 8.290 nan 0.000 0.507 128 R N -1.783 118.708 120.500 -0.015 0.000 2.831 128 R HA 0.753 5.095 4.340 0.003 0.000 0.266 128 R C -3.048 173.234 176.300 -0.029 0.000 1.051 128 R CA -2.108 53.985 56.100 -0.012 0.000 0.943 128 R CB 0.526 30.823 30.300 -0.005 0.000 1.228 128 R HN -0.029 nan 8.270 nan 0.000 0.467 129 P HA 0.153 nan 4.420 nan 0.000 0.231 129 P C -0.482 176.781 177.300 -0.061 0.000 1.811 129 P CA -0.126 62.941 63.100 -0.055 0.000 1.051 129 P CB 0.930 32.593 31.700 -0.063 0.000 1.951 130 E N 1.767 121.929 120.200 -0.065 0.000 2.273 130 E HA -0.139 4.213 4.350 0.003 0.000 0.198 130 E C 2.234 178.752 176.600 -0.137 0.000 1.002 130 E CA 1.682 58.022 56.400 -0.100 0.000 0.828 130 E CB -0.855 28.800 29.700 -0.075 0.000 0.747 130 E HN 0.463 nan 8.360 nan 0.000 0.491 131 G N 0.100 108.864 108.800 -0.060 0.000 2.422 131 G HA2 -0.234 3.728 3.960 0.003 0.000 0.218 131 G HA3 -0.234 3.728 3.960 0.003 0.000 0.218 131 G C 1.438 176.277 174.900 -0.101 0.000 1.140 131 G CA 0.607 45.688 45.100 -0.031 0.000 0.775 131 G HN 0.301 nan 8.290 nan 0.000 0.545 132 L N 0.819 122.006 121.223 -0.061 0.000 2.127 132 L HA 0.023 4.365 4.340 0.003 0.000 0.211 132 L C 2.527 179.383 176.870 -0.024 0.000 1.089 132 L CA 1.635 56.496 54.840 0.035 0.000 0.757 132 L CB -0.347 41.774 42.059 0.104 0.000 0.899 132 L HN 0.142 nan 8.230 nan 0.000 0.434 133 K N -1.250 119.067 120.400 -0.139 0.000 2.520 133 K HA -0.114 4.207 4.320 0.003 0.000 0.197 133 K C 1.877 178.344 176.600 -0.223 0.000 1.043 133 K CA 0.894 57.059 56.287 -0.203 0.000 0.944 133 K CB -0.371 31.982 32.500 -0.246 0.000 0.770 133 K HN 0.283 nan 8.250 nan 0.000 0.480 134 V N 0.448 120.196 119.914 -0.277 0.000 3.141 134 V HA -0.145 3.976 4.120 0.003 0.000 0.265 134 V C 0.834 176.699 176.094 -0.381 0.000 1.126 134 V CA 1.453 63.539 62.300 -0.358 0.000 1.141 134 V CB -0.291 31.263 31.823 -0.447 0.000 0.743 134 V HN 0.170 nan 8.190 nan 0.000 0.492 135 F N -0.685 119.268 119.950 0.005 0.000 2.537 135 F HA 0.612 5.141 4.527 0.003 0.000 0.275 135 F C 1.204 176.988 175.800 -0.026 0.000 0.947 135 F CA 0.359 58.405 58.000 0.077 0.000 1.238 135 F CB -0.205 38.933 39.000 0.230 0.000 1.071 135 F HN 0.125 nan 8.300 nan 0.000 0.749 136 G N -0.304 108.448 108.800 -0.080 0.000 2.634 136 G HA2 0.534 4.495 3.960 0.003 0.000 0.309 136 G HA3 0.534 4.495 3.960 0.003 0.000 0.309 136 G C -1.737 172.660 174.900 -0.839 0.000 1.299 136 G CA -0.528 44.057 45.100 -0.858 0.000 0.798 136 G HN -0.048 nan 8.290 nan 0.000 0.490 137 E N 0.378 119.944 120.200 -1.057 0.000 3.626 137 E HA 0.219 4.571 4.350 0.003 0.000 0.245 137 E C -0.639 175.650 176.600 -0.518 0.000 1.236 137 E CA -1.190 54.878 56.400 -0.553 0.000 1.072 137 E CB -0.373 29.145 29.700 -0.304 0.000 1.309 137 E HN 0.595 nan 8.360 nan 0.000 0.400 138 W N 1.290 122.585 121.300 -0.009 0.000 2.112 138 W HA 0.175 4.837 4.660 0.002 0.000 0.349 138 W C -1.483 175.032 176.519 -0.007 0.000 1.289 138 W CA -1.755 55.587 57.345 -0.004 0.000 1.256 138 W CB -0.296 29.160 29.460 -0.007 0.000 1.148 138 W HN 0.176 nan 8.180 nan 0.000 0.590 139 P HA -0.124 nan 4.420 nan 0.000 0.217 139 P C 0.581 177.965 177.300 0.141 0.000 1.148 139 P CA 1.954 65.135 63.100 0.134 0.000 0.828 139 P CB 0.229 32.009 31.700 0.133 0.000 0.783 140 T N -2.560 112.107 114.554 0.188 0.000 2.864 140 T HA 0.360 4.712 4.350 0.003 0.000 0.299 140 T C 0.499 175.196 174.700 -0.006 0.000 1.166 140 T CA -0.714 61.450 62.100 0.106 0.000 1.007 140 T CB 0.936 69.925 68.868 0.201 0.000 1.219 140 T HN -0.232 nan 8.240 nan 0.000 0.506 141 I N 1.617 122.019 120.570 -0.280 0.000 2.761 141 I HA -0.009 4.163 4.170 0.003 0.000 0.261 141 I C 0.961 176.751 176.117 -0.544 0.000 1.198 141 I CA 1.156 62.206 61.300 -0.417 0.000 1.482 141 I CB 0.039 37.742 38.000 -0.494 0.000 1.100 141 I HN 0.755 nan 8.210 nan 0.000 0.445 142 Y N 1.426 121.651 120.300 -0.126 0.000 2.220 142 Y HA -0.175 4.377 4.550 0.003 0.000 0.291 142 Y C 2.373 178.153 175.900 -0.200 0.000 1.129 142 Y CA 1.169 59.179 58.100 -0.151 0.000 1.161 142 Y CB -0.723 37.733 38.460 -0.008 0.000 0.997 142 Y HN 0.285 nan 8.280 nan 0.000 0.522 143 E N -0.717 119.472 120.200 -0.019 0.000 2.511 143 E HA 0.032 4.383 4.350 0.003 0.000 0.196 143 E C 1.669 177.943 176.600 -0.542 0.000 1.066 143 E CA 0.813 57.146 56.400 -0.113 0.000 0.871 143 E CB -0.173 29.569 29.700 0.069 0.000 0.863 143 E HN 0.515 nan 8.360 nan 0.000 0.520 144 G N 0.853 109.116 108.800 -0.895 0.000 3.228 144 G HA2 0.031 3.992 3.960 0.003 0.000 0.245 144 G HA3 0.031 3.992 3.960 0.003 0.000 0.245 144 G C 1.209 175.403 174.900 -1.177 0.000 1.051 144 G CA -0.333 43.592 45.100 -1.958 0.000 0.809 144 G HN 0.074 nan 8.290 nan 0.000 0.531 145 L N 2.655 123.429 121.223 -0.747 0.000 1.978 145 L HA -0.145 4.196 4.340 0.003 0.000 0.218 145 L C 2.783 179.367 176.870 -0.477 0.000 1.075 145 L CA 2.806 57.258 54.840 -0.647 0.000 0.767 145 L CB -0.907 40.787 42.059 -0.608 0.000 0.890 145 L HN 0.255 nan 8.230 nan 0.000 0.434 146 S N -1.121 114.377 115.700 -0.337 0.000 2.571 146 S HA -0.148 4.324 4.470 0.003 0.000 0.245 146 S C 1.333 175.828 174.600 -0.174 0.000 0.976 146 S CA 0.976 59.066 58.200 -0.182 0.000 0.954 146 S CB -0.489 62.648 63.200 -0.105 0.000 0.756 146 S HN 0.733 nan 8.310 nan 0.000 0.535 147 Q N 0.010 119.640 119.800 -0.284 0.000 2.214 147 Q HA 0.387 4.729 4.340 0.003 0.000 0.229 147 Q C 0.153 176.076 176.000 -0.128 0.000 0.835 147 Q CA -0.073 55.642 55.803 -0.147 0.000 0.953 147 Q CB 0.276 28.972 28.738 -0.071 0.000 1.131 147 Q HN 0.506 nan 8.270 nan 0.000 0.501 148 L N 2.294 123.351 121.223 -0.277 0.000 2.439 148 L HA 0.305 4.647 4.340 0.003 0.000 0.261 148 L C -2.082 174.658 176.870 -0.216 0.000 1.153 148 L CA -1.998 52.645 54.840 -0.328 0.000 0.808 148 L CB -0.321 41.405 42.059 -0.556 0.000 1.126 148 L HN -0.203 nan 8.230 nan 0.000 0.460 149 P HA -0.077 nan 4.420 nan 0.000 0.266 149 P C 0.430 177.695 177.300 -0.059 0.000 1.193 149 P CA 0.068 63.116 63.100 -0.087 0.000 0.770 149 P CB 0.489 32.156 31.700 -0.055 0.000 0.836 150 E N 2.295 122.492 120.200 -0.004 0.000 2.068 150 E HA -0.411 3.941 4.350 0.003 0.000 0.207 150 E C 1.590 178.215 176.600 0.043 0.000 1.032 150 E CA 1.784 58.201 56.400 0.029 0.000 0.839 150 E CB -0.381 29.344 29.700 0.042 0.000 0.758 150 E HN 0.254 nan 8.360 nan 0.000 0.457 151 Q N 0.165 119.992 119.800 0.045 0.000 2.181 151 Q HA -0.108 4.234 4.340 0.003 0.000 0.205 151 Q C 2.122 178.165 176.000 0.071 0.000 0.980 151 Q CA 1.655 57.501 55.803 0.071 0.000 0.862 151 Q CB -0.196 28.591 28.738 0.082 0.000 0.905 151 Q HN 0.355 nan 8.270 nan 0.000 0.429 152 V N 0.407 120.324 119.914 0.006 0.000 2.358 152 V HA -0.262 3.859 4.120 0.003 0.000 0.246 152 V C 2.224 178.314 176.094 -0.007 0.000 1.047 152 V CA 2.029 64.306 62.300 -0.039 0.000 1.035 152 V CB -0.577 31.078 31.823 -0.281 0.000 0.658 152 V HN 0.440 nan 8.190 nan 0.000 0.452 153 Q N -0.075 119.700 119.800 -0.041 0.000 2.050 153 Q HA -0.205 4.137 4.340 0.003 0.000 0.202 153 Q C 2.370 178.456 176.000 0.142 0.000 0.980 153 Q CA 1.305 57.074 55.803 -0.057 0.000 0.840 153 Q CB -0.291 28.445 28.738 -0.003 0.000 0.898 153 Q HN 0.583 nan 8.270 nan 0.000 0.424 154 K N 0.509 121.038 120.400 0.216 0.000 2.044 154 K HA -0.142 4.180 4.320 0.003 0.000 0.210 154 K C 2.280 179.042 176.600 0.271 0.000 1.049 154 K CA 1.588 58.036 56.287 0.268 0.000 0.927 154 K CB -0.200 32.405 32.500 0.175 0.000 0.713 154 K HN 0.044 nan 8.250 nan 0.000 0.443 155 S N -0.023 115.817 115.700 0.232 0.000 2.406 155 S HA -0.131 4.341 4.470 0.003 0.000 0.228 155 S C 1.395 176.207 174.600 0.354 0.000 1.020 155 S CA 0.728 59.089 58.200 0.268 0.000 0.965 155 S CB -0.202 63.150 63.200 0.253 0.000 0.798 155 S HN 0.452 nan 8.310 nan 0.000 0.488 156 W N 1.062 122.448 121.300 0.143 0.000 2.418 156 W HA -0.006 4.656 4.660 0.004 0.000 0.292 156 W C 1.257 177.859 176.519 0.139 0.000 1.213 156 W CA 0.897 58.323 57.345 0.135 0.000 1.283 156 W CB -0.215 29.183 29.460 -0.104 0.000 1.119 156 W HN 0.188 nan 8.180 nan 0.000 0.542 157 F N 0.304 120.548 119.950 0.490 0.000 2.259 157 F HA 0.094 4.623 4.527 0.003 0.000 0.298 157 F C 2.528 178.398 175.800 0.118 0.000 1.088 157 F CA 1.496 59.704 58.000 0.348 0.000 1.358 157 F CB -1.294 37.909 39.000 0.339 0.000 1.040 157 F HN -0.057 nan 8.300 nan 0.000 0.505 158 G N -0.390 108.591 108.800 0.301 0.000 2.421 158 G HA2 -0.323 3.639 3.960 0.003 0.000 0.216 158 G HA3 -0.323 3.639 3.960 0.003 0.000 0.216 158 G C 1.703 176.663 174.900 0.099 0.000 1.171 158 G CA 0.824 46.036 45.100 0.186 0.000 0.775 158 G HN 0.376 nan 8.290 nan 0.000 0.543 159 F N 2.050 121.877 119.950 -0.205 0.000 2.095 159 F HA -0.118 4.411 4.527 0.003 0.000 0.298 159 F C 2.068 177.674 175.800 -0.322 0.000 1.104 159 F CA 2.099 59.816 58.000 -0.470 0.000 1.232 159 F CB -0.482 37.646 39.000 -1.454 0.000 0.987 159 F HN 0.292 nan 8.300 nan 0.000 0.475 160 D N -1.285 118.711 120.400 -0.673 0.000 2.144 160 D HA -0.273 4.369 4.640 0.003 0.000 0.199 160 D C 2.126 178.264 176.300 -0.270 0.000 0.984 160 D CA 1.614 55.177 54.000 -0.728 0.000 0.834 160 D CB -0.279 40.098 40.800 -0.705 0.000 0.955 160 D HN 0.592 nan 8.370 nan 0.000 0.465 161 H N -1.235 117.762 119.070 -0.123 0.000 2.307 161 H HA -0.069 4.489 4.556 0.003 0.000 0.303 161 H C 1.693 176.994 175.328 -0.045 0.000 1.073 161 H CA 1.697 57.735 56.048 -0.017 0.000 1.338 161 H CB -0.485 29.310 29.762 0.055 0.000 1.389 161 H HN 0.267 nan 8.280 nan 0.000 0.503 162 F N -0.376 119.512 119.950 -0.103 0.000 2.365 162 F HA -0.115 4.414 4.527 0.003 0.000 0.300 162 F C 0.647 176.185 175.800 -0.436 0.000 1.090 162 F CA 0.696 58.559 58.000 -0.228 0.000 1.408 162 F CB 0.013 38.877 39.000 -0.227 0.000 1.060 162 F HN 0.191 nan 8.300 nan 0.000 0.534 163 Y N 0.157 120.363 120.300 -0.157 0.000 2.532 163 Y HA 0.265 4.817 4.550 0.003 0.000 0.283 163 Y C 0.722 176.569 175.900 -0.089 0.000 1.181 163 Y CA -0.457 57.539 58.100 -0.173 0.000 1.256 163 Y CB -0.208 38.009 38.460 -0.404 0.000 1.112 163 Y HN -0.143 nan 8.280 nan 0.000 0.521 164 S N -0.720 114.935 115.700 -0.076 0.000 2.722 164 S HA 0.150 4.622 4.470 0.003 0.000 0.292 164 S C -0.817 173.573 174.600 -0.350 0.000 1.135 164 S CA -0.918 57.222 58.200 -0.099 0.000 1.003 164 S CB 1.075 64.185 63.200 -0.151 0.000 1.067 164 S HN 0.158 nan 8.310 nan 0.000 0.546 165 D N 0.818 120.864 120.400 -0.590 0.000 2.383 165 D HA 0.162 4.804 4.640 0.003 0.000 0.252 165 D C 0.087 175.811 176.300 -0.961 0.000 1.166 165 D CA 0.245 53.700 54.000 -0.908 0.000 0.879 165 D CB 0.543 40.831 40.800 -0.854 0.000 1.164 165 D HN 0.207 nan 8.370 nan 0.000 0.462 166 Q N 1.905 121.155 119.800 -0.917 0.000 2.127 166 Q HA 0.085 4.426 4.340 0.003 0.000 0.222 166 Q C 0.667 176.248 176.000 -0.700 0.000 0.794 166 Q CA -0.028 55.331 55.803 -0.740 0.000 1.010 166 Q CB 0.778 29.298 28.738 -0.363 0.000 1.170 166 Q HN 0.452 nan 8.270 nan 0.000 0.479 167 S N -0.902 114.280 115.700 -0.865 0.000 2.431 167 S HA 0.117 4.589 4.470 0.003 0.000 0.210 167 S C 0.460 174.979 174.600 -0.135 0.000 1.013 167 S CA 0.800 58.779 58.200 -0.368 0.000 0.920 167 S CB 0.145 63.207 63.200 -0.229 0.000 0.882 167 S HN 0.234 nan 8.310 nan 0.000 0.567 168 F N -0.485 119.468 119.950 0.005 0.000 2.466 168 F HA -0.220 4.308 4.527 0.003 0.000 0.630 168 F C 1.649 177.499 175.800 0.084 0.000 0.498 168 F CA 0.752 58.805 58.000 0.089 0.000 1.125 168 F CB -2.035 37.044 39.000 0.132 0.000 1.909 168 F HN 0.368 nan 8.300 nan 0.000 0.260 169 G N 0.503 109.441 108.800 0.229 0.000 2.631 169 G HA2 -0.346 3.616 3.960 0.003 0.000 0.219 169 G HA3 -0.346 3.616 3.960 0.003 0.000 0.219 169 G C 1.634 176.601 174.900 0.110 0.000 1.214 169 G CA 1.619 46.809 45.100 0.150 0.000 0.785 169 G HN 0.380 nan 8.290 nan 0.000 0.596 170 K N 0.605 121.058 120.400 0.088 0.000 2.032 170 K HA -0.054 4.268 4.320 0.003 0.000 0.209 170 K C 3.052 179.706 176.600 0.089 0.000 1.048 170 K CA 1.214 57.546 56.287 0.075 0.000 0.927 170 K CB -0.633 31.901 32.500 0.057 0.000 0.712 170 K HN 0.263 nan 8.250 nan 0.000 0.441 171 A N 1.750 124.638 122.820 0.112 0.000 1.884 171 A HA -0.213 4.109 4.320 0.003 0.000 0.219 171 A C 2.315 180.005 177.584 0.176 0.000 1.197 171 A CA 1.683 53.802 52.037 0.137 0.000 0.637 171 A CB -0.894 18.149 19.000 0.071 0.000 0.827 171 A HN 0.257 nan 8.150 nan 0.000 0.450 172 L N -0.204 121.125 121.223 0.176 0.000 2.043 172 L HA -0.281 4.061 4.340 0.003 0.000 0.212 172 L C 2.809 179.591 176.870 -0.148 0.000 1.075 172 L CA 2.089 56.874 54.840 -0.092 0.000 0.752 172 L CB -0.722 41.006 42.059 -0.553 0.000 0.891 172 L HN 0.718 nan 8.230 nan 0.000 0.432 173 E N 0.106 120.269 120.200 -0.062 0.000 2.112 173 E HA -0.153 4.199 4.350 0.003 0.000 0.190 173 E C 2.235 178.866 176.600 0.052 0.000 0.979 173 E CA 0.899 57.309 56.400 0.016 0.000 0.814 173 E CB -0.304 29.435 29.700 0.065 0.000 0.762 173 E HN 0.487 nan 8.360 nan 0.000 0.460 174 I N 1.513 122.125 120.570 0.071 0.000 2.208 174 I HA -0.245 3.926 4.170 0.003 0.000 0.245 174 I C 2.360 178.562 176.117 0.141 0.000 1.097 174 I CA 1.017 62.392 61.300 0.125 0.000 1.363 174 I CB -0.175 37.914 38.000 0.149 0.000 1.051 174 I HN 0.049 nan 8.210 nan 0.000 0.413 175 V N -0.183 119.718 119.914 -0.023 0.000 2.379 175 V HA -0.161 3.961 4.120 0.003 0.000 0.243 175 V C 1.900 177.878 176.094 -0.193 0.000 1.035 175 V CA 1.553 63.708 62.300 -0.242 0.000 1.035 175 V CB -0.410 31.138 31.823 -0.459 0.000 0.673 175 V HN 0.218 nan 8.190 nan 0.000 0.457 176 F N 0.881 120.780 119.950 -0.084 0.000 2.780 176 F HA -0.010 4.519 4.527 0.003 0.000 0.299 176 F C 2.498 178.206 175.800 -0.154 0.000 1.146 176 F CA 0.847 58.792 58.000 -0.092 0.000 1.428 176 F CB -0.391 38.535 39.000 -0.122 0.000 1.115 176 F HN 0.219 nan 8.300 nan 0.000 0.583 177 S N -1.211 114.475 115.700 -0.024 0.000 2.537 177 S HA -0.196 4.276 4.470 0.003 0.000 0.240 177 S C 0.942 175.347 174.600 -0.325 0.000 0.981 177 S CA 1.097 59.179 58.200 -0.197 0.000 0.948 177 S CB -0.859 62.233 63.200 -0.181 0.000 0.759 177 S HN 0.524 nan 8.310 nan 0.000 0.531 178 H N 0.600 119.664 119.070 -0.010 0.000 2.592 178 H HA 0.323 4.880 4.556 0.003 0.000 0.279 178 H C -0.416 175.041 175.328 0.216 0.000 1.089 178 H CA -0.186 55.943 56.048 0.135 0.000 1.150 178 H CB -0.184 29.656 29.762 0.131 0.000 1.575 178 H HN 0.515 nan 8.280 nan 0.000 0.547 179 H N 0.455 119.623 119.070 0.163 0.000 2.499 179 H HA -0.100 4.458 4.556 0.003 0.000 0.321 179 H C -2.357 173.033 175.328 0.104 0.000 1.026 179 H CA -0.172 55.970 56.048 0.155 0.000 1.077 179 H CB -1.374 28.464 29.762 0.128 0.000 1.612 179 H HN 0.451 nan 8.280 nan 0.000 0.374 180 P HA 0.095 nan 4.420 nan 0.000 0.276 180 P C 0.561 177.922 177.300 0.100 0.000 1.230 180 P CA -0.232 62.902 63.100 0.057 0.000 0.776 180 P CB 1.296 32.941 31.700 -0.091 0.000 0.888 181 K N 1.867 122.326 120.400 0.098 0.000 2.242 181 K HA 0.083 4.405 4.320 0.003 0.000 0.200 181 K C 0.703 177.358 176.600 0.091 0.000 1.050 181 K CA 0.708 57.051 56.287 0.093 0.000 0.981 181 K CB 0.256 32.791 32.500 0.058 0.000 0.795 181 K HN 0.439 nan 8.250 nan 0.000 0.477 182 R N 0.675 121.237 120.500 0.102 0.000 2.628 182 R HA 0.415 4.757 4.340 0.003 0.000 0.288 182 R C -1.498 175.011 176.300 0.349 0.000 0.980 182 R CA -0.605 55.611 56.100 0.194 0.000 0.891 182 R CB 2.107 32.413 30.300 0.010 0.000 1.188 182 R HN -0.063 nan 8.270 nan 0.000 0.450 183 L N 3.504 124.917 121.223 0.318 0.000 2.356 183 L HA 0.495 4.836 4.340 0.003 0.000 0.277 183 L C -1.485 175.381 176.870 -0.008 0.000 0.996 183 L CA -1.098 53.843 54.840 0.169 0.000 0.822 183 L CB 1.557 43.625 42.059 0.016 0.000 1.256 183 L HN 0.519 nan 8.230 nan 0.000 0.413 184 L N 4.865 125.894 121.223 -0.324 0.000 2.272 184 L HA 0.481 4.823 4.340 0.003 0.000 0.289 184 L C -0.938 175.777 176.870 -0.257 0.000 1.032 184 L CA 0.124 54.539 54.840 -0.708 0.000 0.810 184 L CB 1.112 42.433 42.059 -1.230 0.000 1.205 184 L HN 0.602 nan 8.230 nan 0.000 0.422 185 D N 5.760 126.073 120.400 -0.145 0.000 2.441 185 D HA 0.269 4.911 4.640 0.003 0.000 0.231 185 D C -0.615 175.639 176.300 -0.076 0.000 1.073 185 D CA -0.179 53.853 54.000 0.054 0.000 0.850 185 D CB 0.591 41.492 40.800 0.169 0.000 1.062 185 D HN 0.479 nan 8.370 nan 0.000 0.524 186 I N 3.656 124.093 120.570 -0.222 0.000 2.308 186 I HA 0.348 4.520 4.170 0.003 0.000 0.293 186 I C 1.523 177.212 176.117 -0.714 0.000 1.078 186 I CA 0.089 61.099 61.300 -0.483 0.000 1.292 186 I CB 1.143 38.744 38.000 -0.666 0.000 1.423 186 I HN 0.747 nan 8.210 nan 0.000 0.493 187 G N 4.261 112.859 108.800 -0.337 0.000 2.175 187 G HA2 -0.220 3.742 3.960 0.003 0.000 0.244 187 G HA3 -0.220 3.742 3.960 0.003 0.000 0.244 187 G C 0.859 175.814 174.900 0.090 0.000 0.982 187 G CA -0.121 44.923 45.100 -0.094 0.000 0.641 187 G HN 0.903 nan 8.290 nan 0.000 0.527 188 G N 1.233 110.085 108.800 0.087 0.000 3.263 188 G HA2 0.296 4.258 3.960 0.003 0.000 0.246 188 G HA3 0.296 4.258 3.960 0.003 0.000 0.246 188 G C 1.213 176.213 174.900 0.166 0.000 0.982 188 G CA 0.718 45.927 45.100 0.182 0.000 1.897 188 G HN 0.880 nan 8.290 nan 0.000 0.624 189 N N 0.017 118.825 118.700 0.180 0.000 2.443 189 N HA -0.182 4.560 4.740 0.003 0.000 0.184 189 N C 1.790 177.388 175.510 0.147 0.000 1.037 189 N CA 1.642 54.789 53.050 0.163 0.000 0.896 189 N CB -0.365 38.235 38.487 0.189 0.000 0.959 189 N HN 0.339 nan 8.380 nan 0.000 0.442 190 T N -3.893 110.758 114.554 0.161 0.000 3.023 190 T HA 0.246 4.598 4.350 0.003 0.000 0.266 190 T C 1.686 176.439 174.700 0.089 0.000 1.093 190 T CA 1.047 63.224 62.100 0.128 0.000 1.129 190 T CB -0.357 68.603 68.868 0.153 0.000 0.899 190 T HN 0.407 nan 8.240 nan 0.000 0.491 191 G N 1.410 110.264 108.800 0.091 0.000 2.179 191 G HA2 -0.342 3.620 3.960 0.003 0.000 0.260 191 G HA3 -0.342 3.620 3.960 0.003 0.000 0.260 191 G C 0.879 175.780 174.900 0.001 0.000 0.977 191 G CA 0.770 45.890 45.100 0.035 0.000 0.641 191 G HN 0.619 nan 8.290 nan 0.000 0.533 192 K N 0.499 120.933 120.400 0.056 0.000 2.020 192 K HA -0.097 4.225 4.320 0.003 0.000 0.212 192 K C 2.052 178.584 176.600 -0.112 0.000 1.050 192 K CA 2.244 58.540 56.287 0.015 0.000 0.929 192 K CB -0.803 31.788 32.500 0.152 0.000 0.714 192 K HN 0.663 nan 8.250 nan 0.000 0.443 193 W N 0.807 121.991 121.300 -0.193 0.000 2.335 193 W HA -0.271 4.391 4.660 0.003 0.000 0.311 193 W C 1.722 178.016 176.519 -0.375 0.000 1.213 193 W CA 1.857 58.995 57.345 -0.345 0.000 1.274 193 W CB -0.260 29.062 29.460 -0.230 0.000 1.148 193 W HN 0.199 nan 8.180 nan 0.000 0.498 194 A N 0.691 123.268 122.820 -0.405 0.000 1.940 194 A HA -0.214 4.107 4.320 0.003 0.000 0.219 194 A C 1.865 179.184 177.584 -0.441 0.000 1.176 194 A CA 2.485 54.233 52.037 -0.482 0.000 0.631 194 A CB -1.351 17.507 19.000 -0.236 0.000 0.814 194 A HN 0.350 nan 8.150 nan 0.000 0.446 195 T N 0.066 114.416 114.554 -0.341 0.000 2.720 195 T HA -0.164 4.188 4.350 0.003 0.000 0.268 195 T C 2.084 176.551 174.700 -0.389 0.000 1.037 195 T CA 1.634 63.554 62.100 -0.300 0.000 1.144 195 T CB -0.247 68.487 68.868 -0.224 0.000 0.864 195 T HN 0.495 nan 8.240 nan 0.000 0.444 196 Q N 0.454 119.923 119.800 -0.552 0.000 2.084 196 Q HA -0.041 4.301 4.340 0.003 0.000 0.202 196 Q C 2.781 178.426 176.000 -0.591 0.000 0.978 196 Q CA 1.075 56.524 55.803 -0.590 0.000 0.844 196 Q CB -1.207 27.052 28.738 -0.799 0.000 0.898 196 Q HN 0.577 nan 8.270 nan 0.000 0.426 197 C N -0.228 118.591 119.300 -0.801 0.000 2.440 197 C HA -0.023 4.439 4.460 0.003 0.000 0.278 197 C C 2.775 177.521 174.990 -0.407 0.000 1.295 197 C CA 0.255 58.897 59.018 -0.627 0.000 1.738 197 C CB -0.953 26.432 27.740 -0.591 0.000 1.987 197 C HN 0.246 nan 8.230 nan 0.000 0.492 198 V N 0.375 120.081 119.914 -0.346 0.000 2.871 198 V HA -0.132 3.990 4.120 0.003 0.000 0.256 198 V C 2.147 178.106 176.094 -0.225 0.000 1.082 198 V CA 1.712 63.867 62.300 -0.240 0.000 1.105 198 V CB -0.410 31.281 31.823 -0.220 0.000 0.713 198 V HN 0.650 nan 8.190 nan 0.000 0.473 199 Q N -2.400 117.251 119.800 -0.248 0.000 2.384 199 Q HA 0.015 4.357 4.340 0.003 0.000 0.207 199 Q C 1.641 177.505 176.000 -0.226 0.000 0.904 199 Q CA 0.397 56.074 55.803 -0.210 0.000 0.933 199 Q CB 0.270 28.895 28.738 -0.188 0.000 1.077 199 Q HN 0.751 nan 8.270 nan 0.000 0.522 200 Y N 1.510 121.548 120.300 -0.437 0.000 2.177 200 Y HA -0.015 4.536 4.550 0.003 0.000 0.291 200 Y C 0.741 176.342 175.900 -0.498 0.000 1.117 200 Y CA 0.860 58.659 58.100 -0.502 0.000 1.114 200 Y CB 0.514 38.537 38.460 -0.730 0.000 1.017 200 Y HN 0.044 nan 8.280 nan 0.000 0.505 201 N N 0.105 118.561 118.700 -0.406 0.000 2.321 201 N HA 0.161 4.902 4.740 0.003 0.000 0.299 201 N C -0.407 174.994 175.510 -0.181 0.000 1.048 201 N CA -0.404 52.463 53.050 -0.305 0.000 0.836 201 N CB 1.537 39.826 38.487 -0.331 0.000 1.269 201 N HN -0.125 nan 8.380 nan 0.000 0.486 202 K N 1.375 121.702 120.400 -0.121 0.000 2.444 202 K HA 0.037 4.359 4.320 0.003 0.000 0.193 202 K C 0.703 177.279 176.600 -0.041 0.000 1.024 202 K CA 0.418 56.653 56.287 -0.087 0.000 1.077 202 K CB 0.215 32.666 32.500 -0.083 0.000 0.833 202 K HN 0.847 nan 8.250 nan 0.000 0.517 203 E N -0.067 120.130 120.200 -0.005 0.000 2.453 203 E HA 0.021 4.372 4.350 0.003 0.000 0.211 203 E C 0.029 176.662 176.600 0.056 0.000 0.897 203 E CA -0.015 56.402 56.400 0.027 0.000 1.063 203 E CB 0.663 30.390 29.700 0.046 0.000 1.080 203 E HN -0.123 nan 8.360 nan 0.000 0.512 204 V N 2.069 122.039 119.914 0.093 0.000 2.788 204 V HA 0.003 4.125 4.120 0.003 0.000 0.307 204 V C -0.579 175.554 176.094 0.066 0.000 1.069 204 V CA 0.708 63.089 62.300 0.136 0.000 1.173 204 V CB 1.007 33.008 31.823 0.297 0.000 0.925 204 V HN 0.239 nan 8.190 nan 0.000 0.492 205 E N 4.034 124.285 120.200 0.086 0.000 2.176 205 E HA 0.549 4.901 4.350 0.003 0.000 0.267 205 E C -1.282 175.386 176.600 0.114 0.000 0.893 205 E CA -0.568 55.874 56.400 0.071 0.000 0.761 205 E CB 2.160 31.947 29.700 0.145 0.000 1.133 205 E HN 0.571 nan 8.360 nan 0.000 0.409 206 V N 2.835 122.756 119.914 0.011 0.000 2.459 206 V HA 0.401 4.522 4.120 0.003 0.000 0.295 206 V C -0.162 175.968 176.094 0.060 0.000 1.029 206 V CA -0.604 61.703 62.300 0.011 0.000 0.874 206 V CB 1.873 33.623 31.823 -0.121 0.000 0.985 206 V HN 0.679 nan 8.190 nan 0.000 0.438 207 T N 6.034 120.641 114.554 0.089 0.000 2.786 207 T HA 0.605 4.957 4.350 0.003 0.000 0.283 207 T C -0.234 174.459 174.700 -0.012 0.000 0.992 207 T CA -0.176 61.989 62.100 0.107 0.000 0.954 207 T CB 0.870 69.836 68.868 0.164 0.000 0.934 207 T HN 0.381 nan 8.240 nan 0.000 0.440 208 I N 3.175 123.774 120.570 0.049 0.000 2.385 208 I HA 0.431 4.603 4.170 0.003 0.000 0.294 208 I C -0.309 175.851 176.117 0.071 0.000 0.988 208 I CA -0.960 60.362 61.300 0.038 0.000 1.265 208 I CB 1.505 39.541 38.000 0.060 0.000 1.388 208 I HN 0.235 nan 8.210 nan 0.000 0.480 209 V N 5.240 125.174 119.914 0.033 0.000 2.384 209 V HA 0.552 4.674 4.120 0.003 0.000 0.287 209 V C -0.433 175.730 176.094 0.115 0.000 1.020 209 V CA -0.308 62.058 62.300 0.109 0.000 0.850 209 V CB 1.524 33.388 31.823 0.067 0.000 0.987 209 V HN 0.725 nan 8.190 nan 0.000 0.436 210 D N 2.815 123.307 120.400 0.153 0.000 2.742 210 D HA 0.297 4.939 4.640 0.003 0.000 0.262 210 D C -1.019 175.365 176.300 0.140 0.000 1.240 210 D CA -0.656 53.442 54.000 0.164 0.000 0.752 210 D CB 1.917 42.810 40.800 0.156 0.000 1.290 210 D HN 0.235 nan 8.370 nan 0.000 0.420 211 L N 2.703 124.011 121.223 0.143 0.000 2.593 211 L HA 0.077 4.418 4.340 0.003 0.000 0.287 211 L C -0.978 175.943 176.870 0.085 0.000 1.243 211 L CA -0.098 54.807 54.840 0.109 0.000 0.890 211 L CB -0.291 41.836 42.059 0.112 0.000 1.134 211 L HN 0.378 nan 8.230 nan 0.000 0.502 212 P HA -0.241 nan 4.420 nan 0.000 0.217 212 P C 1.116 178.449 177.300 0.055 0.000 1.151 212 P CA 1.426 64.554 63.100 0.047 0.000 0.849 212 P CB 0.204 31.924 31.700 0.033 0.000 0.787 213 Q N -0.701 119.135 119.800 0.059 0.000 2.046 213 Q HA -0.170 4.172 4.340 0.003 0.000 0.200 213 Q C 2.418 178.460 176.000 0.070 0.000 0.975 213 Q CA 1.229 57.067 55.803 0.058 0.000 0.836 213 Q CB -1.123 27.647 28.738 0.054 0.000 0.896 213 Q HN 0.119 nan 8.270 nan 0.000 0.428 214 Q N 0.627 120.479 119.800 0.087 0.000 2.133 214 Q HA -0.134 4.208 4.340 0.003 0.000 0.208 214 Q C 1.844 177.901 176.000 0.095 0.000 0.991 214 Q CA 1.525 57.392 55.803 0.107 0.000 0.867 214 Q CB -0.329 28.488 28.738 0.132 0.000 0.911 214 Q HN 0.430 nan 8.270 nan 0.000 0.417 215 L N -0.173 121.101 121.223 0.085 0.000 2.201 215 L HA -0.129 4.213 4.340 0.003 0.000 0.212 215 L C 2.363 179.270 176.870 0.061 0.000 1.105 215 L CA 1.303 56.189 54.840 0.075 0.000 0.775 215 L CB -0.523 41.580 42.059 0.073 0.000 0.913 215 L HN 0.372 nan 8.230 nan 0.000 0.440 216 E N 0.847 121.080 120.200 0.055 0.000 2.077 216 E HA -0.239 4.113 4.350 0.003 0.000 0.193 216 E C 2.332 178.958 176.600 0.043 0.000 0.989 216 E CA 1.215 57.642 56.400 0.045 0.000 0.800 216 E CB -0.021 29.703 29.700 0.041 0.000 0.746 216 E HN 0.437 nan 8.360 nan 0.000 0.452 217 M N 0.286 119.916 119.600 0.050 0.000 2.108 217 M HA -0.180 4.302 4.480 0.003 0.000 0.261 217 M C 2.563 178.888 176.300 0.041 0.000 1.066 217 M CA 1.745 57.072 55.300 0.045 0.000 1.107 217 M CB -0.399 32.238 32.600 0.061 0.000 1.356 217 M HN 0.305 nan 8.290 nan 0.000 0.406 218 M N -0.115 119.516 119.600 0.053 0.000 2.394 218 M HA -0.027 4.455 4.480 0.003 0.000 0.264 218 M C 1.708 178.025 176.300 0.029 0.000 1.073 218 M CA 1.694 57.022 55.300 0.047 0.000 1.111 218 M CB -0.470 32.166 32.600 0.060 0.000 1.401 218 M HN -0.029 nan 8.290 nan 0.000 0.448 219 R N 0.269 120.787 120.500 0.030 0.000 2.090 219 R HA -0.013 4.329 4.340 0.003 0.000 0.228 219 R C 2.216 178.524 176.300 0.012 0.000 1.110 219 R CA 0.852 56.964 56.100 0.020 0.000 0.973 219 R CB -0.377 29.940 30.300 0.028 0.000 0.869 219 R HN 0.287 nan 8.270 nan 0.000 0.440 220 K N 1.404 121.813 120.400 0.015 0.000 1.991 220 K HA -0.188 4.134 4.320 0.003 0.000 0.212 220 K C 1.937 178.537 176.600 0.001 0.000 1.049 220 K CA 1.675 57.966 56.287 0.008 0.000 0.932 220 K CB -0.253 32.252 32.500 0.009 0.000 0.717 220 K HN 0.170 nan 8.250 nan 0.000 0.441 221 Q N -0.329 119.473 119.800 0.003 0.000 2.084 221 Q HA -0.111 4.231 4.340 0.003 0.000 0.202 221 Q C 1.291 177.288 176.000 -0.006 0.000 0.978 221 Q CA 2.210 58.013 55.803 -0.001 0.000 0.844 221 Q CB -0.065 28.678 28.738 0.008 0.000 0.898 221 Q HN 0.547 nan 8.270 nan 0.000 0.426 222 T N -2.068 112.481 114.554 -0.009 0.000 3.219 222 T HA 0.426 4.778 4.350 0.003 0.000 0.249 222 T C 0.347 175.032 174.700 -0.026 0.000 1.099 222 T CA 0.079 62.164 62.100 -0.025 0.000 0.988 222 T CB 0.138 68.986 68.868 -0.035 0.000 0.999 222 T HN 0.258 nan 8.240 nan 0.000 0.550 223 A N 0.787 123.597 122.820 -0.016 0.000 2.520 223 A HA 0.524 4.846 4.320 0.003 0.000 0.245 223 A C 1.716 179.287 177.584 -0.021 0.000 1.072 223 A CA 0.136 52.164 52.037 -0.015 0.000 0.761 223 A CB -1.039 17.956 19.000 -0.008 0.000 1.004 223 A HN 1.421 nan 8.150 nan 0.000 0.499 224 G N 1.277 110.064 108.800 -0.022 0.000 2.233 224 G HA2 -0.237 3.724 3.960 0.003 0.000 0.270 224 G HA3 -0.237 3.724 3.960 0.003 0.000 0.270 224 G C 0.104 174.984 174.900 -0.034 0.000 1.011 224 G CA 0.843 45.928 45.100 -0.025 0.000 0.762 224 G HN 0.769 nan 8.290 nan 0.000 0.511 225 L N -0.420 120.777 121.223 -0.043 0.000 2.439 225 L HA 0.494 4.836 4.340 0.003 0.000 0.259 225 L C 1.989 178.819 176.870 -0.066 0.000 1.129 225 L CA 0.047 54.853 54.840 -0.056 0.000 0.803 225 L CB 1.128 43.148 42.059 -0.064 0.000 1.161 225 L HN 0.129 nan 8.230 nan 0.000 0.462 226 S N 1.004 116.658 115.700 -0.076 0.000 2.370 226 S HA -0.133 4.339 4.470 0.003 0.000 0.226 226 S C 1.422 175.968 174.600 -0.089 0.000 1.033 226 S CA 1.803 59.955 58.200 -0.080 0.000 1.011 226 S CB -0.248 62.899 63.200 -0.088 0.000 0.852 226 S HN 0.913 nan 8.310 nan 0.000 0.457 227 G N -0.059 108.675 108.800 -0.110 0.000 3.233 227 G HA2 0.147 4.109 3.960 0.003 0.000 0.234 227 G HA3 0.147 4.109 3.960 0.003 0.000 0.234 227 G C 1.251 176.082 174.900 -0.116 0.000 1.137 227 G CA 0.585 45.615 45.100 -0.117 0.000 0.763 227 G HN 0.601 nan 8.290 nan 0.000 0.549 228 S N 1.028 116.668 115.700 -0.100 0.000 2.442 228 S HA -0.110 4.361 4.470 0.003 0.000 0.236 228 S C 1.721 176.261 174.600 -0.100 0.000 1.007 228 S CA 1.332 59.472 58.200 -0.100 0.000 0.965 228 S CB -0.092 63.065 63.200 -0.071 0.000 0.773 228 S HN 0.374 nan 8.310 nan 0.000 0.504 229 E N 1.577 121.732 120.200 -0.075 0.000 2.396 229 E HA -0.047 4.305 4.350 0.003 0.000 0.200 229 E C 1.644 178.180 176.600 -0.107 0.000 1.023 229 E CA 0.836 57.205 56.400 -0.052 0.000 0.857 229 E CB -0.321 29.365 29.700 -0.024 0.000 0.775 229 E HN 0.613 nan 8.360 nan 0.000 0.525 230 R N -0.036 120.354 120.500 -0.183 0.000 2.509 230 R HA 0.353 4.694 4.340 0.003 0.000 0.300 230 R C -0.237 175.797 176.300 -0.444 0.000 0.985 230 R CA -0.111 55.828 56.100 -0.268 0.000 1.092 230 R CB 0.646 30.865 30.300 -0.136 0.000 1.237 230 R HN 0.109 nan 8.270 nan 0.000 0.546 231 I N 0.724 121.037 120.570 -0.429 0.000 2.378 231 I HA 0.287 4.459 4.170 0.003 0.000 0.291 231 I C -0.361 175.541 176.117 -0.358 0.000 0.992 231 I CA -0.703 60.387 61.300 -0.349 0.000 1.154 231 I CB 1.417 39.312 38.000 -0.176 0.000 1.315 231 I HN 0.115 nan 8.210 nan 0.000 0.448 232 H N 2.923 122.017 119.070 0.040 0.000 2.731 232 H HA 0.690 5.248 4.556 0.003 0.000 0.368 232 H C 0.128 175.501 175.328 0.075 0.000 1.168 232 H CA -0.851 55.236 56.048 0.064 0.000 1.181 232 H CB 2.032 31.851 29.762 0.095 0.000 1.743 232 H HN 0.685 nan 8.280 nan 0.000 0.547 233 G N -0.270 108.665 108.800 0.225 0.000 2.432 233 G HA2 0.290 4.252 3.960 0.003 0.000 0.331 233 G HA3 0.290 4.252 3.960 0.003 0.000 0.331 233 G C -1.429 173.600 174.900 0.214 0.000 1.170 233 G CA -0.309 44.894 45.100 0.172 0.000 0.943 233 G HN 0.718 nan 8.290 nan 0.000 0.483 234 H N 0.781 119.908 119.070 0.095 0.000 3.092 234 H HA 0.387 4.945 4.556 0.003 0.000 0.308 234 H C 0.176 175.562 175.328 0.095 0.000 1.047 234 H CA -0.476 55.630 56.048 0.097 0.000 1.466 234 H CB 0.843 30.667 29.762 0.105 0.000 1.597 234 H HN 0.722 nan 8.280 nan 0.000 0.512 235 G N 3.041 111.704 108.800 -0.228 0.000 2.335 235 G HA2 0.458 4.420 3.960 0.003 0.000 0.268 235 G HA3 0.458 4.420 3.960 0.003 0.000 0.268 235 G C -0.468 174.348 174.900 -0.140 0.000 1.228 235 G CA 0.297 45.325 45.100 -0.119 0.000 0.968 235 G HN 0.680 nan 8.290 nan 0.000 0.459 236 A N 2.854 125.691 122.820 0.029 0.000 2.587 236 A HA 0.674 4.996 4.320 0.003 0.000 0.293 236 A C -0.475 177.182 177.584 0.121 0.000 1.087 236 A CA -0.891 51.202 52.037 0.093 0.000 0.692 236 A CB 1.653 20.794 19.000 0.235 0.000 1.291 236 A HN 0.530 nan 8.150 nan 0.000 0.407 237 N N 1.368 120.130 118.700 0.104 0.000 2.949 237 N HA 0.302 5.044 4.740 0.003 0.000 0.243 237 N C 0.718 176.294 175.510 0.109 0.000 1.113 237 N CA -0.435 52.679 53.050 0.106 0.000 0.980 237 N CB -0.154 38.377 38.487 0.074 0.000 1.256 237 N HN 0.575 nan 8.380 nan 0.000 0.508 238 L N 1.229 122.557 121.223 0.176 0.000 2.302 238 L HA -0.268 4.074 4.340 0.003 0.000 0.218 238 L C 1.646 178.539 176.870 0.038 0.000 1.100 238 L CA 0.785 55.735 54.840 0.184 0.000 0.774 238 L CB -0.368 41.876 42.059 0.309 0.000 0.896 238 L HN 0.426 nan 8.230 nan 0.000 0.439 239 L N -0.595 120.656 121.223 0.046 0.000 1.993 239 L HA -0.063 4.279 4.340 0.003 0.000 0.206 239 L C 1.036 177.896 176.870 -0.015 0.000 1.074 239 L CA 1.194 56.038 54.840 0.007 0.000 0.746 239 L CB -0.903 41.192 42.059 0.059 0.000 0.896 239 L HN 0.166 nan 8.230 nan 0.000 0.435 240 D N 1.000 121.402 120.400 0.003 0.000 5.044 240 D HA -0.177 4.464 4.640 0.003 0.000 0.263 240 D C 1.159 177.426 176.300 -0.055 0.000 1.567 240 D CA 0.290 54.281 54.000 -0.014 0.000 1.204 240 D CB 0.100 40.898 40.800 -0.003 0.000 1.347 240 D HN 0.172 nan 8.370 nan 0.000 0.758 241 R N 1.653 122.121 120.500 -0.054 0.000 2.417 241 R HA -0.144 4.198 4.340 0.003 0.000 0.220 241 R C 0.710 176.960 176.300 -0.083 0.000 1.128 241 R CA 0.559 56.613 56.100 -0.077 0.000 1.048 241 R CB 0.220 30.488 30.300 -0.052 0.000 0.835 241 R HN 0.408 nan 8.270 nan 0.000 0.483 242 D N 0.305 120.664 120.400 -0.068 0.000 2.394 242 D HA -0.013 4.629 4.640 0.003 0.000 0.226 242 D C 0.662 176.923 176.300 -0.065 0.000 0.990 242 D CA 0.483 54.451 54.000 -0.054 0.000 0.902 242 D CB 0.448 41.232 40.800 -0.028 0.000 1.038 242 D HN 0.041 nan 8.370 nan 0.000 0.499 243 V N 1.536 121.406 119.914 -0.073 0.000 2.555 243 V HA 0.364 4.486 4.120 0.003 0.000 0.286 243 V C -2.460 173.541 176.094 -0.154 0.000 1.044 243 V CA -1.370 60.891 62.300 -0.065 0.000 1.026 243 V CB 0.772 32.585 31.823 -0.016 0.000 0.981 243 V HN -0.109 nan 8.190 nan 0.000 0.480 244 P HA 0.414 nan 4.420 nan 0.000 0.281 244 P C -0.746 176.509 177.300 -0.075 0.000 1.249 244 P CA -0.475 62.546 63.100 -0.133 0.000 0.810 244 P CB 0.640 32.324 31.700 -0.026 0.000 1.008 245 F N 1.522 121.493 119.950 0.035 0.000 2.459 245 F HA 0.269 4.799 4.527 0.003 0.000 0.346 245 F C -1.403 174.397 175.800 -0.000 0.000 1.128 245 F CA -1.952 56.053 58.000 0.007 0.000 1.268 245 F CB -1.178 37.818 39.000 -0.007 0.000 1.161 245 F HN 0.189 nan 8.300 nan 0.000 0.583 246 P HA 0.101 nan 4.420 nan 0.000 0.267 246 P C -0.292 177.179 177.300 0.285 0.000 1.200 246 P CA -0.080 63.094 63.100 0.123 0.000 0.772 246 P CB 0.329 32.032 31.700 0.006 0.000 0.855 247 T N -2.117 112.562 114.554 0.208 0.000 2.889 247 T HA 0.588 4.939 4.350 0.003 0.000 0.278 247 T C 0.842 175.553 174.700 0.019 0.000 0.995 247 T CA -0.180 62.022 62.100 0.170 0.000 0.966 247 T CB 0.893 69.808 68.868 0.079 0.000 1.237 247 T HN 0.708 nan 8.240 nan 0.000 0.591 248 G N -0.166 108.614 108.800 -0.034 0.000 2.149 248 G HA2 -0.153 3.809 3.960 0.003 0.000 0.235 248 G HA3 -0.153 3.809 3.960 0.003 0.000 0.235 248 G C -0.337 174.357 174.900 -0.343 0.000 1.018 248 G CA -0.389 44.591 45.100 -0.199 0.000 0.728 248 G HN 0.616 nan 8.290 nan 0.000 0.508 249 F N 0.751 120.706 119.950 0.007 0.000 2.458 249 F HA 0.493 5.021 4.527 0.003 0.000 0.336 249 F C 0.861 176.668 175.800 0.012 0.000 1.114 249 F CA -0.773 57.232 58.000 0.009 0.000 0.987 249 F CB 1.798 40.798 39.000 -0.001 0.000 1.130 249 F HN 0.055 nan 8.300 nan 0.000 0.458 250 D N 0.828 121.340 120.400 0.186 0.000 2.360 250 D HA 0.328 4.970 4.640 0.003 0.000 0.210 250 D C 0.063 176.437 176.300 0.122 0.000 1.047 250 D CA 0.173 54.242 54.000 0.114 0.000 0.854 250 D CB 0.333 41.180 40.800 0.079 0.000 0.936 250 D HN 0.336 nan 8.370 nan 0.000 0.514 251 A N 0.306 123.230 122.820 0.174 0.000 2.398 251 A HA 0.629 4.951 4.320 0.003 0.000 0.301 251 A C -1.194 176.503 177.584 0.189 0.000 1.041 251 A CA -0.694 51.471 52.037 0.214 0.000 0.711 251 A CB 1.842 20.965 19.000 0.205 0.000 1.240 251 A HN -0.010 nan 8.150 nan 0.000 0.420 252 V N 3.045 123.069 119.914 0.183 0.000 2.540 252 V HA 0.627 4.749 4.120 0.003 0.000 0.302 252 V C -0.835 175.395 176.094 0.226 0.000 1.035 252 V CA -0.541 61.806 62.300 0.080 0.000 0.873 252 V CB 1.782 33.574 31.823 -0.052 0.000 0.992 252 V HN 0.887 nan 8.190 nan 0.000 0.428 253 W N 7.047 128.316 121.300 -0.051 0.000 2.839 253 W HA 0.755 5.417 4.660 0.003 0.000 0.334 253 W C -1.886 174.554 176.519 -0.131 0.000 1.064 253 W CA -1.057 56.277 57.345 -0.019 0.000 1.236 253 W CB 2.073 31.566 29.460 0.056 0.000 1.405 253 W HN 0.511 nan 8.180 nan 0.000 0.478 254 M N 5.780 124.978 119.600 -0.670 0.000 2.165 254 M HA 0.184 4.666 4.480 0.003 0.000 0.283 254 M C -0.461 175.458 176.300 -0.635 0.000 0.978 254 M CA -0.389 54.628 55.300 -0.471 0.000 0.948 254 M CB 2.356 34.877 32.600 -0.132 0.000 1.599 254 M HN 0.361 nan 8.290 nan 0.000 0.450 255 S N 3.097 118.571 115.700 -0.376 0.000 2.707 255 S HA 0.411 4.883 4.470 0.003 0.000 0.303 255 S C -0.081 174.571 174.600 0.086 0.000 1.132 255 S CA -0.544 57.511 58.200 -0.243 0.000 1.046 255 S CB 1.666 64.729 63.200 -0.228 0.000 1.004 255 S HN 0.761 nan 8.310 nan 0.000 0.483 256 Q N 0.629 120.507 119.800 0.130 0.000 2.461 256 Q HA -0.201 4.141 4.340 0.003 0.000 0.273 256 Q C -0.727 175.447 176.000 0.291 0.000 1.163 256 Q CA 1.167 57.095 55.803 0.207 0.000 0.929 256 Q CB -1.851 26.997 28.738 0.184 0.000 1.334 256 Q HN 0.861 nan 8.270 nan 0.000 0.499 257 F N -1.265 118.756 119.950 0.119 0.000 2.563 257 F HA 0.543 5.072 4.527 0.003 0.000 0.316 257 F C 0.811 176.729 175.800 0.198 0.000 1.076 257 F CA -0.226 57.861 58.000 0.145 0.000 0.921 257 F CB 1.073 40.168 39.000 0.159 0.000 1.209 257 F HN -0.043 nan 8.300 nan 0.000 0.462 258 L N 2.536 123.491 121.223 -0.446 0.000 2.143 258 L HA -0.237 4.105 4.340 0.003 0.000 0.481 258 L C 0.765 177.729 176.870 0.156 0.000 0.721 258 L CA 2.107 56.967 54.840 0.032 0.000 3.051 258 L CB -1.458 40.780 42.059 0.298 0.000 0.790 258 L HN 0.797 nan 8.230 nan 0.000 0.723 259 D N -0.703 119.714 120.400 0.028 0.000 2.363 259 D HA 0.038 4.680 4.640 0.003 0.000 0.226 259 D C 1.235 177.169 176.300 -0.610 0.000 1.020 259 D CA 0.970 54.736 54.000 -0.390 0.000 0.892 259 D CB -0.566 40.051 40.800 -0.304 0.000 0.900 259 D HN 0.499 nan 8.370 nan 0.000 0.531 260 C N -0.227 118.802 119.300 -0.452 0.000 2.780 260 C HA 0.412 4.874 4.460 0.003 0.000 0.287 260 C C -0.143 174.425 174.990 -0.704 0.000 1.288 260 C CA -0.857 57.907 59.018 -0.424 0.000 1.713 260 C CB -2.028 25.448 27.740 -0.441 0.000 1.955 260 C HN 0.137 nan 8.230 nan 0.000 0.613 261 F N 0.715 120.581 119.950 -0.140 0.000 2.563 261 F HA 0.451 4.980 4.527 0.003 0.000 0.316 261 F C 0.690 176.460 175.800 -0.051 0.000 1.076 261 F CA -0.654 57.300 58.000 -0.077 0.000 0.921 261 F CB 1.154 40.097 39.000 -0.094 0.000 1.209 261 F HN -0.124 nan 8.300 nan 0.000 0.462 262 S N 0.400 116.215 115.700 0.192 0.000 2.580 262 S HA -0.010 4.462 4.470 0.003 0.000 0.266 262 S C 1.121 175.813 174.600 0.154 0.000 1.354 262 S CA -0.570 57.696 58.200 0.110 0.000 1.008 262 S CB 0.840 64.094 63.200 0.091 0.000 0.898 262 S HN 0.807 nan 8.310 nan 0.000 0.555 263 E N 0.947 121.231 120.200 0.139 0.000 2.049 263 E HA -0.216 4.136 4.350 0.003 0.000 0.198 263 E C 1.994 178.651 176.600 0.095 0.000 1.007 263 E CA 1.447 57.939 56.400 0.153 0.000 0.809 263 E CB -0.077 29.694 29.700 0.119 0.000 0.749 263 E HN 0.660 nan 8.360 nan 0.000 0.450 264 E N 0.286 120.527 120.200 0.069 0.000 2.068 264 E HA -0.279 4.073 4.350 0.003 0.000 0.207 264 E C 2.059 178.677 176.600 0.031 0.000 1.032 264 E CA 1.805 58.231 56.400 0.042 0.000 0.839 264 E CB -0.208 29.514 29.700 0.037 0.000 0.758 264 E HN 0.411 nan 8.360 nan 0.000 0.457 265 E N 0.355 120.581 120.200 0.043 0.000 2.077 265 E HA -0.156 4.196 4.350 0.003 0.000 0.193 265 E C 2.354 178.920 176.600 -0.057 0.000 0.989 265 E CA 1.172 57.560 56.400 -0.019 0.000 0.800 265 E CB -0.163 29.546 29.700 0.015 0.000 0.746 265 E HN 0.076 nan 8.360 nan 0.000 0.452 266 V N 2.424 122.364 119.914 0.045 0.000 2.252 266 V HA -0.302 3.819 4.120 0.003 0.000 0.249 266 V C 2.389 178.492 176.094 0.016 0.000 1.056 266 V CA 1.888 64.220 62.300 0.054 0.000 1.022 266 V CB -0.594 31.308 31.823 0.132 0.000 0.641 266 V HN 0.294 nan 8.190 nan 0.000 0.445 267 I N 0.200 120.780 120.570 0.016 0.000 2.286 267 I HA -0.242 3.929 4.170 0.003 0.000 0.248 267 I C 2.728 178.844 176.117 -0.001 0.000 1.115 267 I CA 1.871 63.173 61.300 0.004 0.000 1.392 267 I CB -0.816 37.186 38.000 0.004 0.000 1.065 267 I HN 0.433 nan 8.210 nan 0.000 0.418 268 S N 1.796 117.487 115.700 -0.015 0.000 2.351 268 S HA -0.189 4.283 4.470 0.003 0.000 0.220 268 S C 2.118 176.703 174.600 -0.025 0.000 1.035 268 S CA 1.446 59.627 58.200 -0.032 0.000 1.031 268 S CB -0.418 62.751 63.200 -0.051 0.000 0.928 268 S HN 0.334 nan 8.310 nan 0.000 0.433 269 I N 1.385 121.939 120.570 -0.027 0.000 2.151 269 I HA -0.205 3.967 4.170 0.003 0.000 0.243 269 I C 2.302 178.528 176.117 0.182 0.000 1.080 269 I CA 1.403 62.750 61.300 0.077 0.000 1.339 269 I CB -0.331 37.698 38.000 0.049 0.000 1.039 269 I HN 0.342 nan 8.210 nan 0.000 0.409 270 L N -0.018 121.266 121.223 0.102 0.000 2.201 270 L HA -0.161 4.181 4.340 0.003 0.000 0.212 270 L C 2.738 179.652 176.870 0.074 0.000 1.105 270 L CA 1.677 56.569 54.840 0.087 0.000 0.775 270 L CB -1.032 41.045 42.059 0.029 0.000 0.913 270 L HN 0.470 nan 8.230 nan 0.000 0.440 271 T N -2.884 111.698 114.554 0.048 0.000 2.812 271 T HA -0.141 4.210 4.350 0.003 0.000 0.264 271 T C 1.986 176.714 174.700 0.048 0.000 1.042 271 T CA 0.497 62.616 62.100 0.031 0.000 1.140 271 T CB -0.246 68.625 68.868 0.004 0.000 0.870 271 T HN 0.255 nan 8.240 nan 0.000 0.445 272 R N 0.654 121.179 120.500 0.042 0.000 2.120 272 R HA 0.024 4.366 4.340 0.003 0.000 0.234 272 R C 2.504 178.948 176.300 0.239 0.000 1.123 272 R CA 1.065 57.163 56.100 -0.005 0.000 0.975 272 R CB -0.852 29.261 30.300 -0.313 0.000 0.866 272 R HN 0.321 nan 8.270 nan 0.000 0.446 273 V N 1.136 121.282 119.914 0.387 0.000 2.283 273 V HA -0.193 3.929 4.120 0.003 0.000 0.243 273 V C 2.496 178.681 176.094 0.152 0.000 1.039 273 V CA 1.819 64.314 62.300 0.326 0.000 1.016 273 V CB -0.685 31.228 31.823 0.150 0.000 0.650 273 V HN 0.367 nan 8.190 nan 0.000 0.449 274 A N -0.488 122.388 122.820 0.093 0.000 2.042 274 A HA -0.300 4.022 4.320 0.003 0.000 0.222 274 A C 1.888 179.505 177.584 0.054 0.000 1.167 274 A CA 1.958 54.023 52.037 0.048 0.000 0.649 274 A CB -0.461 18.554 19.000 0.026 0.000 0.809 274 A HN 0.731 nan 8.150 nan 0.000 0.457 275 Q N -0.515 119.329 119.800 0.073 0.000 2.212 275 Q HA 0.218 4.560 4.340 0.003 0.000 0.213 275 Q C 0.667 176.718 176.000 0.086 0.000 0.874 275 Q CA 0.397 56.236 55.803 0.060 0.000 0.965 275 Q CB 0.340 29.100 28.738 0.037 0.000 1.074 275 Q HN 0.588 nan 8.270 nan 0.000 0.473 276 S N 0.104 115.875 115.700 0.118 0.000 2.559 276 S HA 0.199 4.671 4.470 0.003 0.000 0.226 276 S C 0.624 175.292 174.600 0.112 0.000 1.030 276 S CA -0.372 57.913 58.200 0.142 0.000 0.956 276 S CB 0.346 63.677 63.200 0.218 0.000 0.900 276 S HN 0.418 nan 8.310 nan 0.000 0.510 277 I N -0.719 119.899 120.570 0.081 0.000 2.750 277 I HA 0.905 5.077 4.170 0.003 0.000 0.308 277 I C 0.347 176.487 176.117 0.037 0.000 1.016 277 I CA -1.255 60.083 61.300 0.063 0.000 1.098 277 I CB 0.973 39.000 38.000 0.045 0.000 1.279 277 I HN 0.010 nan 8.210 nan 0.000 0.454 278 G N 2.433 111.251 108.800 0.029 0.000 2.562 278 G HA2 0.286 4.248 3.960 0.003 0.000 0.275 278 G HA3 0.286 4.248 3.960 0.003 0.000 0.275 278 G C 0.311 175.214 174.900 0.005 0.000 1.196 278 G CA -0.679 44.431 45.100 0.016 0.000 0.908 278 G HN 0.753 nan 8.290 nan 0.000 0.524 279 K N 0.229 120.630 120.400 0.002 0.000 2.211 279 K HA -0.045 4.277 4.320 0.003 0.000 0.204 279 K C 1.267 177.861 176.600 -0.010 0.000 1.047 279 K CA 1.412 57.696 56.287 -0.005 0.000 0.935 279 K CB 0.099 32.598 32.500 -0.002 0.000 0.728 279 K HN 0.421 nan 8.250 nan 0.000 0.452 280 D N 0.019 120.418 120.400 -0.002 0.000 2.350 280 D HA 0.060 4.702 4.640 0.003 0.000 0.213 280 D C -0.220 176.072 176.300 -0.014 0.000 1.031 280 D CA 0.198 54.198 54.000 -0.000 0.000 0.861 280 D CB 0.258 41.068 40.800 0.017 0.000 0.926 280 D HN -0.028 nan 8.370 nan 0.000 0.520 281 S N 1.318 117.009 115.700 -0.015 0.000 2.548 281 S HA 0.167 4.639 4.470 0.003 0.000 0.277 281 S C 0.408 174.954 174.600 -0.089 0.000 1.315 281 S CA -0.204 57.984 58.200 -0.020 0.000 1.050 281 S CB 1.360 64.569 63.200 0.015 0.000 0.918 281 S HN -0.044 nan 8.310 nan 0.000 0.497 282 K N 2.073 122.392 120.400 -0.135 0.000 2.244 282 K HA 0.477 4.799 4.320 0.003 0.000 0.260 282 K C -0.841 175.544 176.600 -0.358 0.000 0.951 282 K CA -0.584 55.503 56.287 -0.333 0.000 0.826 282 K CB 1.979 34.167 32.500 -0.519 0.000 1.108 282 K HN 0.427 nan 8.250 nan 0.000 0.433 283 V N 4.451 124.095 119.914 -0.449 0.000 2.448 283 V HA 0.502 4.624 4.120 0.003 0.000 0.295 283 V C -1.671 174.144 176.094 -0.465 0.000 1.025 283 V CA -0.601 61.511 62.300 -0.313 0.000 0.859 283 V CB 0.694 32.419 31.823 -0.162 0.000 0.988 283 V HN 0.607 nan 8.190 nan 0.000 0.431 284 Y N 6.261 126.503 120.300 -0.098 0.000 2.335 284 Y HA 0.665 5.217 4.550 0.003 0.000 0.338 284 Y C 0.255 175.908 175.900 -0.411 0.000 0.977 284 Y CA -0.813 57.167 58.100 -0.200 0.000 1.114 284 Y CB 1.740 40.143 38.460 -0.094 0.000 1.182 284 Y HN 0.482 nan 8.280 nan 0.000 0.463 285 I N 4.702 125.129 120.570 -0.239 0.000 2.406 285 I HA 0.410 4.582 4.170 0.003 0.000 0.290 285 I C -0.655 175.272 176.117 -0.317 0.000 0.999 285 I CA -0.717 60.408 61.300 -0.292 0.000 1.124 285 I CB 1.755 39.651 38.000 -0.175 0.000 1.289 285 I HN 0.578 nan 8.210 nan 0.000 0.441 286 M N 6.218 125.573 119.600 -0.409 0.000 2.085 286 M HA 0.419 4.901 4.480 0.003 0.000 0.309 286 M C -1.208 175.049 176.300 -0.072 0.000 0.947 286 M CA -0.289 54.845 55.300 -0.277 0.000 0.918 286 M CB 1.198 33.518 32.600 -0.466 0.000 1.504 286 M HN 0.482 nan 8.290 nan 0.000 0.420 287 E N 2.037 122.249 120.200 0.020 0.000 2.359 287 E HA 0.450 4.802 4.350 0.003 0.000 0.266 287 E C -0.803 175.847 176.600 0.084 0.000 0.920 287 E CA -0.390 56.073 56.400 0.105 0.000 0.788 287 E CB 2.258 32.044 29.700 0.145 0.000 1.279 287 E HN 0.656 nan 8.360 nan 0.000 0.438 288 T N -0.382 114.211 114.554 0.064 0.000 2.891 288 T HA 0.532 4.884 4.350 0.003 0.000 0.315 288 T C 0.267 175.009 174.700 0.070 0.000 1.054 288 T CA -0.583 61.504 62.100 -0.022 0.000 0.958 288 T CB -0.749 68.088 68.868 -0.051 0.000 1.008 288 T HN 0.150 nan 8.240 nan 0.000 0.521 289 L N 4.737 125.977 121.223 0.029 0.000 2.255 289 L HA 0.337 4.679 4.340 0.003 0.000 0.289 289 L C 1.761 178.600 176.870 -0.053 0.000 1.046 289 L CA -1.239 53.597 54.840 -0.007 0.000 0.816 289 L CB 0.499 42.494 42.059 -0.106 0.000 1.197 289 L HN 0.758 nan 8.230 nan 0.000 0.427 290 W N 3.396 124.695 121.300 -0.002 0.000 2.325 290 W HA -0.208 4.454 4.660 0.003 0.000 0.299 290 W C 1.207 177.705 176.519 -0.035 0.000 1.215 290 W CA 1.488 58.835 57.345 0.004 0.000 1.244 290 W CB -0.572 28.906 29.460 0.030 0.000 1.140 290 W HN 0.809 nan 8.180 nan 0.000 0.523 291 D N 0.776 120.556 120.400 -1.033 0.000 2.371 291 D HA -0.158 4.484 4.640 0.003 0.000 0.221 291 D C 1.363 177.390 176.300 -0.455 0.000 0.986 291 D CA 0.563 53.964 54.000 -0.998 0.000 0.899 291 D CB -0.591 39.221 40.800 -1.646 0.000 0.902 291 D HN 0.319 nan 8.370 nan 0.000 0.530 292 R N 0.030 120.351 120.500 -0.298 0.000 2.577 292 R HA 0.149 4.491 4.340 0.003 0.000 0.344 292 R C 0.102 176.349 176.300 -0.089 0.000 1.037 292 R CA -0.383 55.609 56.100 -0.179 0.000 1.102 292 R CB 0.694 30.895 30.300 -0.164 0.000 1.313 292 R HN 0.127 nan 8.270 nan 0.000 0.561 293 Q N 0.889 120.665 119.800 -0.040 0.000 2.293 293 Q HA 0.152 4.493 4.340 0.003 0.000 0.251 293 Q C 0.721 176.704 176.000 -0.028 0.000 0.930 293 Q CA 0.051 55.864 55.803 0.017 0.000 0.893 293 Q CB 1.933 30.736 28.738 0.108 0.000 1.215 293 Q HN 0.085 nan 8.270 nan 0.000 0.425 294 R N 1.397 121.844 120.500 -0.088 0.000 2.153 294 R HA -0.000 4.342 4.340 0.003 0.000 0.218 294 R C -0.253 175.786 176.300 -0.435 0.000 1.072 294 R CA 0.775 56.695 56.100 -0.300 0.000 0.990 294 R CB 0.473 30.500 30.300 -0.455 0.000 0.889 294 R HN 0.450 nan 8.270 nan 0.000 0.452 295 Y N 0.076 120.406 120.300 0.050 0.000 2.352 295 Y HA 0.137 4.689 4.550 0.003 0.000 0.339 295 Y C 1.046 176.996 175.900 0.084 0.000 0.992 295 Y CA -0.869 57.266 58.100 0.059 0.000 1.100 295 Y CB 1.607 40.103 38.460 0.059 0.000 1.192 295 Y HN -0.118 nan 8.280 nan 0.000 0.458 296 E N 1.345 121.673 120.200 0.213 0.000 2.085 296 E HA -0.163 4.188 4.350 0.003 0.000 0.194 296 E C 1.396 178.122 176.600 0.211 0.000 0.994 296 E CA 1.983 58.488 56.400 0.176 0.000 0.801 296 E CB 0.115 29.885 29.700 0.116 0.000 0.743 296 E HN 0.911 nan 8.360 nan 0.000 0.453 297 T N 1.054 115.723 114.554 0.191 0.000 2.699 297 T HA -0.198 4.154 4.350 0.003 0.000 0.268 297 T C 1.819 176.687 174.700 0.279 0.000 1.036 297 T CA 1.907 64.126 62.100 0.199 0.000 1.147 297 T CB -0.380 68.561 68.868 0.123 0.000 0.862 297 T HN 0.363 nan 8.240 nan 0.000 0.446 298 A N 1.254 124.230 122.820 0.260 0.000 1.865 298 A HA -0.148 4.174 4.320 0.003 0.000 0.217 298 A C 2.630 180.375 177.584 0.268 0.000 1.191 298 A CA 2.267 54.459 52.037 0.257 0.000 0.623 298 A CB -1.132 18.013 19.000 0.241 0.000 0.826 298 A HN 0.458 nan 8.150 nan 0.000 0.444 299 S N -1.529 114.340 115.700 0.283 0.000 2.368 299 S HA -0.253 4.219 4.470 0.003 0.000 0.226 299 S C 1.810 176.555 174.600 0.242 0.000 1.044 299 S CA 1.810 60.210 58.200 0.332 0.000 1.062 299 S CB -0.693 62.738 63.200 0.385 0.000 0.931 299 S HN 0.684 nan 8.310 nan 0.000 0.440 300 Y N 1.681 122.049 120.300 0.114 0.000 2.040 300 Y HA -0.337 4.215 4.550 0.003 0.000 0.275 300 Y C 2.654 178.587 175.900 0.054 0.000 1.171 300 Y CA 1.385 59.516 58.100 0.052 0.000 1.123 300 Y CB -1.086 37.410 38.460 0.059 0.000 0.963 300 Y HN 0.304 nan 8.280 nan 0.000 0.493 301 C N 0.406 119.718 119.300 0.020 0.000 2.413 301 C HA -0.212 4.250 4.460 0.003 0.000 0.276 301 C C 2.856 177.832 174.990 -0.024 0.000 1.236 301 C CA 1.362 60.364 59.018 -0.028 0.000 1.735 301 C CB -1.601 26.264 27.740 0.209 0.000 2.031 301 C HN 0.647 nan 8.230 nan 0.000 0.474 302 L N 1.161 122.433 121.223 0.082 0.000 2.042 302 L HA -0.172 4.170 4.340 0.003 0.000 0.210 302 L C 2.869 179.726 176.870 -0.022 0.000 1.076 302 L CA 2.213 57.108 54.840 0.092 0.000 0.749 302 L CB -1.321 40.867 42.059 0.216 0.000 0.893 302 L HN 0.570 nan 8.230 nan 0.000 0.432 303 T N -3.395 111.060 114.554 -0.165 0.000 2.833 303 T HA -0.171 4.181 4.350 0.003 0.000 0.269 303 T C 1.805 176.357 174.700 -0.246 0.000 1.054 303 T CA 0.807 62.703 62.100 -0.340 0.000 1.135 303 T CB -0.154 68.375 68.868 -0.566 0.000 0.869 303 T HN 0.287 nan 8.240 nan 0.000 0.466 304 Q N 0.627 120.269 119.800 -0.262 0.000 2.187 304 Q HA 0.179 4.521 4.340 0.003 0.000 0.199 304 Q C 2.444 178.386 176.000 -0.095 0.000 0.957 304 Q CA 0.549 56.217 55.803 -0.225 0.000 0.857 304 Q CB -0.378 28.157 28.738 -0.339 0.000 0.929 304 Q HN 0.468 nan 8.270 nan 0.000 0.453 305 I N 1.445 121.987 120.570 -0.046 0.000 2.567 305 I HA -0.159 4.013 4.170 0.003 0.000 0.257 305 I C 1.678 177.917 176.117 0.203 0.000 1.184 305 I CA 0.913 62.239 61.300 0.043 0.000 1.451 305 I CB -0.753 37.245 38.000 -0.004 0.000 1.089 305 I HN 0.059 nan 8.210 nan 0.000 0.441 306 S N 0.852 116.649 115.700 0.162 0.000 2.447 306 S HA -0.056 4.416 4.470 0.003 0.000 0.233 306 S C 1.896 176.621 174.600 0.210 0.000 1.006 306 S CA 0.795 59.150 58.200 0.258 0.000 0.957 306 S CB -0.136 63.088 63.200 0.040 0.000 0.773 306 S HN 0.379 nan 8.310 nan 0.000 0.507 307 L N 0.124 121.394 121.223 0.078 0.000 2.446 307 L HA 0.097 4.439 4.340 0.003 0.000 0.219 307 L C 2.055 178.912 176.870 -0.022 0.000 1.116 307 L CA 0.539 55.380 54.840 0.002 0.000 0.844 307 L CB -0.569 41.452 42.059 -0.063 0.000 0.970 307 L HN 0.382 nan 8.230 nan 0.000 0.457 308 Y N -0.167 120.055 120.300 -0.130 0.000 2.224 308 Y HA -0.243 4.308 4.550 0.003 0.000 0.289 308 Y C 2.030 177.813 175.900 -0.195 0.000 1.146 308 Y CA 1.297 59.247 58.100 -0.250 0.000 1.182 308 Y CB -0.468 37.761 38.460 -0.386 0.000 0.983 308 Y HN 0.004 nan 8.280 nan 0.000 0.524 309 F N 0.982 120.646 119.950 -0.477 0.000 2.102 309 F HA -0.186 4.343 4.527 0.003 0.000 0.298 309 F C 2.506 178.102 175.800 -0.339 0.000 1.105 309 F CA 2.201 59.889 58.000 -0.520 0.000 1.239 309 F CB -1.034 37.842 39.000 -0.206 0.000 0.991 309 F HN 0.026 nan 8.300 nan 0.000 0.474 310 T N -0.255 114.292 114.554 -0.011 0.000 2.674 310 T HA -0.193 4.159 4.350 0.003 0.000 0.265 310 T C 2.232 176.877 174.700 -0.091 0.000 1.039 310 T CA 1.491 63.564 62.100 -0.044 0.000 1.150 310 T CB -0.750 68.093 68.868 -0.042 0.000 0.864 310 T HN 0.290 nan 8.240 nan 0.000 0.427 311 A N 0.836 123.581 122.820 -0.126 0.000 1.903 311 A HA 0.140 4.462 4.320 0.003 0.000 0.213 311 A C 2.228 179.731 177.584 -0.135 0.000 1.185 311 A CA 1.003 52.971 52.037 -0.114 0.000 0.628 311 A CB -0.236 18.698 19.000 -0.111 0.000 0.830 311 A HN 0.297 nan 8.150 nan 0.000 0.446 312 M N -1.148 118.313 119.600 -0.231 0.000 2.691 312 M HA 0.306 4.787 4.480 0.003 0.000 0.261 312 M C 1.926 178.039 176.300 -0.312 0.000 1.227 312 M CA 1.029 56.193 55.300 -0.227 0.000 1.197 312 M CB -1.398 31.092 32.600 -0.182 0.000 1.294 312 M HN 0.368 nan 8.290 nan 0.000 0.508 313 A N 2.328 124.827 122.820 -0.534 0.000 3.975 313 A HA 0.057 4.379 4.320 0.003 0.000 0.169 313 A C 1.448 178.939 177.584 -0.156 0.000 1.707 313 A CA 0.943 52.711 52.037 -0.449 0.000 1.474 313 A CB -0.958 17.716 19.000 -0.543 0.000 1.327 313 A HN 0.473 nan 8.150 nan 0.000 0.500 314 N N -0.741 117.969 118.700 0.017 0.000 2.149 314 N HA 0.151 4.893 4.740 0.003 0.000 0.188 314 N C 1.131 176.660 175.510 0.032 0.000 1.019 314 N CA 1.992 55.095 53.050 0.089 0.000 0.857 314 N CB -0.658 37.917 38.487 0.148 0.000 0.997 314 N HN 1.635 nan 8.380 nan 0.000 0.426 315 G N 0.038 108.838 108.800 -0.000 0.000 2.136 315 G HA2 -0.326 3.636 3.960 0.003 0.000 0.242 315 G HA3 -0.326 3.636 3.960 0.003 0.000 0.242 315 G C 0.166 175.064 174.900 -0.003 0.000 0.989 315 G CA 0.528 45.620 45.100 -0.014 0.000 0.682 315 G HN 0.911 nan 8.290 nan 0.000 0.522 316 N N -2.206 116.497 118.700 0.004 0.000 1.856 316 N HA 0.206 4.948 4.740 0.003 0.000 0.223 316 N C 0.376 175.858 175.510 -0.047 0.000 1.438 316 N CA 0.445 53.491 53.050 -0.007 0.000 0.693 316 N CB 0.033 38.533 38.487 0.022 0.000 1.051 316 N HN 0.775 nan 8.380 nan 0.000 0.563 317 S N 0.660 116.296 115.700 -0.107 0.000 2.798 317 S HA 0.776 5.248 4.470 0.003 0.000 0.312 317 S C -0.762 173.520 174.600 -0.531 0.000 1.122 317 S CA -0.473 57.531 58.200 -0.328 0.000 0.949 317 S CB 2.237 65.179 63.200 -0.429 0.000 1.235 317 S HN 0.411 nan 8.310 nan 0.000 0.552 318 K N -1.066 118.809 120.400 -0.875 0.000 2.735 318 K HA 0.302 4.623 4.320 0.003 0.000 0.295 318 K C -1.326 174.798 176.600 -0.794 0.000 1.052 318 K CA -1.013 54.832 56.287 -0.736 0.000 0.853 318 K CB 0.498 32.807 32.500 -0.319 0.000 1.535 318 K HN 0.475 nan 8.250 nan 0.000 0.383 319 M N 1.820 121.224 119.600 -0.327 0.000 2.268 319 M HA 0.208 4.690 4.480 0.003 0.000 0.349 319 M C -0.656 175.642 176.300 -0.003 0.000 1.485 319 M CA 0.227 55.459 55.300 -0.115 0.000 1.094 319 M CB -1.060 31.615 32.600 0.126 0.000 1.843 319 M HN 0.450 nan 8.290 nan 0.000 0.460 320 F N 1.879 121.903 119.950 0.124 0.000 2.484 320 F HA 0.101 4.630 4.527 0.003 0.000 0.360 320 F C 1.083 176.971 175.800 0.147 0.000 1.101 320 F CA -0.067 58.009 58.000 0.127 0.000 1.251 320 F CB 0.043 39.067 39.000 0.040 0.000 1.132 320 F HN 0.501 nan 8.300 nan 0.000 0.570 321 H N 1.158 120.412 119.070 0.306 0.000 2.646 321 H HA 0.155 4.712 4.556 0.003 0.000 0.325 321 H C 1.175 176.480 175.328 -0.039 0.000 1.075 321 H CA 0.010 56.018 56.048 -0.067 0.000 1.421 321 H CB 1.110 30.895 29.762 0.037 0.000 1.461 321 H HN 0.699 nan 8.280 nan 0.000 0.525 322 S N 2.354 117.932 115.700 -0.203 0.000 2.400 322 S HA -0.219 4.253 4.470 0.003 0.000 0.232 322 S C 1.394 176.062 174.600 0.114 0.000 1.025 322 S CA 1.407 59.575 58.200 -0.052 0.000 0.993 322 S CB -0.054 63.039 63.200 -0.179 0.000 0.808 322 S HN 0.753 nan 8.310 nan 0.000 0.478 323 D N 2.058 122.706 120.400 0.413 0.000 2.182 323 D HA -0.075 4.567 4.640 0.003 0.000 0.201 323 D C 1.516 177.839 176.300 0.039 0.000 0.986 323 D CA 1.269 55.343 54.000 0.124 0.000 0.847 323 D CB -0.404 40.387 40.800 -0.015 0.000 0.942 323 D HN 0.468 nan 8.370 nan 0.000 0.467 324 D N -0.162 120.290 120.400 0.086 0.000 2.137 324 D HA -0.081 4.560 4.640 0.003 0.000 0.202 324 D C 2.172 178.435 176.300 -0.061 0.000 0.970 324 D CA 0.138 54.173 54.000 0.057 0.000 0.837 324 D CB -0.253 40.655 40.800 0.180 0.000 0.981 324 D HN 0.130 nan 8.370 nan 0.000 0.475 325 L N 1.415 122.526 121.223 -0.187 0.000 2.042 325 L HA -0.111 4.230 4.340 0.003 0.000 0.210 325 L C 2.097 178.808 176.870 -0.265 0.000 1.076 325 L CA 1.383 55.924 54.840 -0.498 0.000 0.749 325 L CB -0.760 40.929 42.059 -0.616 0.000 0.893 325 L HN -0.034 nan 8.230 nan 0.000 0.432 326 I N -0.780 119.698 120.570 -0.152 0.000 2.179 326 I HA -0.309 3.863 4.170 0.003 0.000 0.242 326 I C 2.723 178.791 176.117 -0.083 0.000 1.088 326 I CA 1.427 62.664 61.300 -0.106 0.000 1.357 326 I CB -0.430 37.529 38.000 -0.070 0.000 1.051 326 I HN 0.316 nan 8.210 nan 0.000 0.409 327 R N 0.580 121.042 120.500 -0.063 0.000 2.122 327 R HA -0.262 4.079 4.340 0.003 0.000 0.236 327 R C 2.566 178.834 176.300 -0.052 0.000 1.129 327 R CA 2.710 58.783 56.100 -0.046 0.000 0.925 327 R CB -0.685 29.598 30.300 -0.029 0.000 0.850 327 R HN 0.401 nan 8.270 nan 0.000 0.431 328 C N 0.397 119.657 119.300 -0.066 0.000 2.375 328 C HA -0.188 4.274 4.460 0.003 0.000 0.274 328 C C 2.625 177.574 174.990 -0.068 0.000 1.190 328 C CA 1.107 60.086 59.018 -0.064 0.000 1.775 328 C CB -1.015 26.666 27.740 -0.099 0.000 2.067 328 C HN 0.572 nan 8.230 nan 0.000 0.463 329 I N 0.305 120.817 120.570 -0.096 0.000 2.208 329 I HA -0.243 3.929 4.170 0.003 0.000 0.245 329 I C 2.477 178.559 176.117 -0.058 0.000 1.097 329 I CA 1.803 63.052 61.300 -0.084 0.000 1.363 329 I CB -0.406 37.532 38.000 -0.104 0.000 1.051 329 I HN 0.428 nan 8.210 nan 0.000 0.413 330 E N 0.283 120.451 120.200 -0.054 0.000 2.158 330 E HA -0.135 4.217 4.350 0.003 0.000 0.191 330 E C 1.815 178.397 176.600 -0.030 0.000 0.982 330 E CA 0.924 57.300 56.400 -0.040 0.000 0.823 330 E CB -0.071 29.606 29.700 -0.038 0.000 0.766 330 E HN 0.561 nan 8.360 nan 0.000 0.468 331 N N 0.572 119.255 118.700 -0.028 0.000 2.188 331 N HA -0.129 4.613 4.740 0.003 0.000 0.184 331 N C 1.726 177.226 175.510 -0.016 0.000 1.018 331 N CA 0.762 53.800 53.050 -0.019 0.000 0.858 331 N CB -0.087 38.391 38.487 -0.015 0.000 0.989 331 N HN 0.062 nan 8.380 nan 0.000 0.426 332 A N 0.675 123.484 122.820 -0.018 0.000 2.225 332 A HA 0.168 4.489 4.320 0.003 0.000 0.215 332 A C 1.638 179.216 177.584 -0.010 0.000 1.164 332 A CA 1.072 53.102 52.037 -0.010 0.000 0.710 332 A CB -0.610 18.385 19.000 -0.007 0.000 0.780 332 A HN 0.409 nan 8.150 nan 0.000 0.473 333 G N -2.012 106.778 108.800 -0.018 0.000 2.132 333 G HA2 -0.185 3.777 3.960 0.003 0.000 0.228 333 G HA3 -0.185 3.777 3.960 0.003 0.000 0.228 333 G C -0.000 174.886 174.900 -0.023 0.000 1.000 333 G CA 0.357 45.447 45.100 -0.017 0.000 0.693 333 G HN 0.486 nan 8.290 nan 0.000 0.515 334 L N -0.653 120.550 121.223 -0.033 0.000 2.491 334 L HA 0.949 5.291 4.340 0.003 0.000 0.264 334 L C 0.472 177.312 176.870 -0.050 0.000 1.053 334 L CA -0.998 53.815 54.840 -0.045 0.000 0.858 334 L CB 1.204 43.228 42.059 -0.058 0.000 1.519 334 L HN 0.462 nan 8.230 nan 0.000 0.508 335 E N -1.076 119.088 120.200 -0.061 0.000 2.372 335 E HA 0.476 4.828 4.350 0.003 0.000 0.279 335 E C -1.494 175.061 176.600 -0.074 0.000 0.946 335 E CA -0.950 55.414 56.400 -0.059 0.000 0.769 335 E CB 2.291 31.963 29.700 -0.046 0.000 1.230 335 E HN 0.274 nan 8.360 nan 0.000 0.442 336 V N 2.473 122.345 119.914 -0.071 0.000 2.432 336 V HA 0.203 4.325 4.120 0.003 0.000 0.271 336 V C 0.229 176.286 176.094 -0.061 0.000 1.046 336 V CA 0.312 62.565 62.300 -0.078 0.000 0.945 336 V CB 1.022 32.799 31.823 -0.077 0.000 0.992 336 V HN 0.890 nan 8.190 nan 0.000 0.471 337 E N 3.807 123.968 120.200 -0.066 0.000 2.079 337 E HA 0.176 4.528 4.350 0.003 0.000 0.191 337 E C 0.497 177.084 176.600 -0.021 0.000 0.961 337 E CA 0.455 56.831 56.400 -0.040 0.000 0.823 337 E CB 0.496 30.173 29.700 -0.039 0.000 0.789 337 E HN 0.861 nan 8.360 nan 0.000 0.459 338 E N 0.184 120.371 120.200 -0.020 0.000 2.359 338 E HA 0.551 4.903 4.350 0.003 0.000 0.266 338 E C -1.561 175.038 176.600 -0.002 0.000 0.920 338 E CA -0.637 55.766 56.400 0.005 0.000 0.788 338 E CB 2.042 31.768 29.700 0.044 0.000 1.279 338 E HN -0.030 nan 8.360 nan 0.000 0.438 339 I N 3.159 123.731 120.570 0.005 0.000 2.588 339 I HA 0.109 4.281 4.170 0.003 0.000 0.278 339 I C -1.563 174.557 176.117 0.004 0.000 1.144 339 I CA -0.196 61.100 61.300 -0.007 0.000 1.074 339 I CB 1.440 39.423 38.000 -0.028 0.000 1.235 339 I HN 0.429 nan 8.210 nan 0.000 0.472 340 Q N 5.728 125.539 119.800 0.019 0.000 2.293 340 Q HA 0.553 4.895 4.340 0.003 0.000 0.261 340 Q C -1.434 174.575 176.000 0.015 0.000 0.960 340 Q CA -0.192 55.625 55.803 0.024 0.000 0.882 340 Q CB 1.536 30.302 28.738 0.047 0.000 1.275 340 Q HN 0.655 nan 8.270 nan 0.000 0.445 341 D N 1.270 121.675 120.400 0.008 0.000 2.867 341 D HA 0.415 5.057 4.640 0.003 0.000 0.308 341 D C -0.592 175.717 176.300 0.015 0.000 1.202 341 D CA -0.570 53.435 54.000 0.008 0.000 1.035 341 D CB 0.230 41.020 40.800 -0.016 0.000 1.427 341 D HN 0.553 nan 8.370 nan 0.000 0.570 342 N N -0.803 117.907 118.700 0.016 0.000 2.741 342 N HA -0.137 4.604 4.740 0.003 0.000 0.251 342 N C -0.200 175.340 175.510 0.050 0.000 1.112 342 N CA 0.993 54.061 53.050 0.031 0.000 0.750 342 N CB -1.556 36.940 38.487 0.015 0.000 1.119 342 N HN 0.666 nan 8.380 nan 0.000 0.561 343 I N -3.104 117.502 120.570 0.060 0.000 2.532 343 I HA 0.552 4.724 4.170 0.003 0.000 0.292 343 I C 1.520 177.687 176.117 0.083 0.000 1.014 343 I CA 0.275 61.609 61.300 0.056 0.000 1.340 343 I CB 0.865 38.886 38.000 0.036 0.000 1.422 343 I HN 0.186 nan 8.210 nan 0.000 0.528 344 G N 4.809 113.625 108.800 0.028 0.000 2.602 344 G HA2 -0.329 3.632 3.960 0.003 0.000 0.306 344 G HA3 -0.329 3.632 3.960 0.003 0.000 0.306 344 G C 0.217 175.143 174.900 0.042 0.000 1.301 344 G CA 0.522 45.627 45.100 0.008 0.000 0.974 344 G HN 0.757 nan 8.290 nan 0.000 0.547 345 L N 2.513 123.747 121.223 0.019 0.000 2.747 345 L HA 0.453 4.794 4.340 0.003 0.000 0.248 345 L C 1.776 178.630 176.870 -0.027 0.000 1.191 345 L CA 1.775 56.591 54.840 -0.041 0.000 1.003 345 L CB -0.232 41.710 42.059 -0.195 0.000 1.235 345 L HN 1.946 nan 8.230 nan 0.000 0.426 346 G N -1.733 107.074 108.800 0.012 0.000 2.186 346 G HA2 -0.171 3.791 3.960 0.003 0.000 0.130 346 G HA3 -0.171 3.791 3.960 0.003 0.000 0.130 346 G C 0.031 174.854 174.900 -0.128 0.000 1.031 346 G CA -0.828 44.260 45.100 -0.019 0.000 0.697 346 G HN 0.330 nan 8.290 nan 0.000 0.494 347 H N 0.466 119.527 119.070 -0.014 0.000 2.511 347 H HA 0.602 5.160 4.556 0.003 0.000 0.346 347 H C 0.027 175.338 175.328 -0.028 0.000 1.128 347 H CA 0.703 56.735 56.048 -0.027 0.000 1.342 347 H CB 1.673 31.396 29.762 -0.066 0.000 1.470 347 H HN 0.256 nan 8.280 nan 0.000 0.546 348 S N 2.367 118.110 115.700 0.072 0.000 2.536 348 S HA 0.431 4.902 4.470 0.003 0.000 0.298 348 S C -0.120 174.477 174.600 -0.005 0.000 1.083 348 S CA -0.814 57.399 58.200 0.020 0.000 0.995 348 S CB 1.986 65.175 63.200 -0.019 0.000 1.058 348 S HN 0.547 nan 8.310 nan 0.000 0.488 349 I N 2.554 123.117 120.570 -0.011 0.000 2.436 349 I HA 0.486 4.658 4.170 0.003 0.000 0.289 349 I C -1.972 174.137 176.117 -0.015 0.000 1.010 349 I CA -1.256 60.022 61.300 -0.038 0.000 1.098 349 I CB 0.798 38.800 38.000 0.003 0.000 1.266 349 I HN 0.427 nan 8.210 nan 0.000 0.434 350 L N 7.284 128.474 121.223 -0.055 0.000 2.272 350 L HA 0.422 4.764 4.340 0.003 0.000 0.289 350 L C 0.018 176.841 176.870 -0.079 0.000 1.032 350 L CA 0.086 54.887 54.840 -0.064 0.000 0.810 350 L CB 1.281 43.279 42.059 -0.102 0.000 1.205 350 L HN 0.577 nan 8.230 nan 0.000 0.422 351 Q N 3.058 122.813 119.800 -0.075 0.000 2.303 351 Q HA 0.529 4.871 4.340 0.003 0.000 0.257 351 Q C -1.197 174.663 176.000 -0.234 0.000 0.941 351 Q CA -0.382 55.286 55.803 -0.226 0.000 0.931 351 Q CB 1.057 29.730 28.738 -0.108 0.000 1.215 351 Q HN 0.807 nan 8.270 nan 0.000 0.437 352 C N 2.906 122.014 119.300 -0.319 0.000 3.028 352 C HA 0.901 5.362 4.460 0.003 0.000 0.338 352 C C -0.655 174.199 174.990 -0.227 0.000 1.366 352 C CA -0.874 58.013 59.018 -0.218 0.000 1.610 352 C CB 1.808 29.444 27.740 -0.174 0.000 2.063 352 C HN 1.128 nan 8.230 nan 0.000 0.463 353 R N -0.454 119.957 120.500 -0.148 0.000 2.728 353 R HA 0.604 4.946 4.340 0.003 0.000 0.274 353 R C -2.092 174.162 176.300 -0.076 0.000 1.032 353 R CA -0.792 55.236 56.100 -0.119 0.000 0.866 353 R CB 0.224 30.458 30.300 -0.111 0.000 1.263 353 R HN 0.608 nan 8.270 nan 0.000 0.475 354 L N 2.154 123.344 121.223 -0.054 0.000 2.490 354 L HA 0.303 4.645 4.340 0.003 0.000 0.274 354 L C -0.161 176.690 176.870 -0.032 0.000 1.201 354 L CA 0.681 55.500 54.840 -0.035 0.000 0.869 354 L CB 0.297 42.344 42.059 -0.021 0.000 1.123 354 L HN 0.807 nan 8.230 nan 0.000 0.484 355 K N 0.000 120.384 120.400 -0.027 0.000 2.780 355 K HA 0.000 4.322 4.320 0.003 0.000 0.191 355 K CA 0.000 56.274 56.287 -0.022 0.000 0.838 355 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 355 K HN 0.000 nan 8.250 nan 0.000 0.543