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 1vcg_1_C DATA FIRST_RESID 9 DATA SEQUENCE KHLEACLEGE VAYQKTTTGL EGFRLRYQAL AGLALSEVDL TTPFLGKTLK DATA SEQUENCE APFLIGAXTX XXXXXERINL ALAEAAEALG VGXXLGSGRI LLERPEALRX DATA SEQUENCE XRVRKVAPKA LLIANLGLAQ LRRYGRDDLL RLVEXLEADA LAFHVNPLQE DATA SEQUENCE AVQRGDTDFR GLVERLAELL PLPFPVXVKE VGHGLSREAA LALRDLPLAA DATA SEQUENCE VDVAGAGGTS WARVEEWVRF GEVRHPELCE IGIPTARAIL EVREVLPHLP DATA SEQUENCE LVASGGVYTG TDGAKALALG ADLLAVARPL LRPALEGAER VAAWIGDYLE DATA SEQUENCE ELRTALFAIG ARNPKEARGR VERV 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.694 176.600 0.156 0.000 0.988 9 K CA 0.000 56.377 56.287 0.149 0.000 0.838 9 K CB 0.000 32.605 32.500 0.175 0.000 1.064 10 H N 1.882 121.002 119.070 0.082 0.000 2.389 10 H HA 0.042 4.598 4.556 -0.000 0.000 0.299 10 H C 1.763 177.115 175.328 0.039 0.000 1.081 10 H CA 1.476 57.583 56.048 0.098 0.000 1.345 10 H CB 0.168 30.078 29.762 0.246 0.000 1.393 10 H HN 0.006 nan 8.280 nan 0.000 0.520 11 L N 0.918 122.249 121.223 0.180 0.000 2.141 11 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 11 L C 1.959 178.837 176.870 0.015 0.000 1.094 11 L CA 1.748 56.638 54.840 0.083 0.000 0.763 11 L CB -0.602 41.499 42.059 0.071 0.000 0.908 11 L HN 0.375 nan 8.230 nan 0.000 0.437 12 E N -0.216 120.000 120.200 0.028 0.000 2.028 12 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 12 E C 2.145 178.709 176.600 -0.061 0.000 0.988 12 E CA 1.260 57.662 56.400 0.003 0.000 0.799 12 E CB 0.079 29.805 29.700 0.044 0.000 0.755 12 E HN 0.561 nan 8.360 nan 0.000 0.447 13 A N 0.600 123.369 122.820 -0.085 0.000 1.883 13 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 13 A C 2.475 179.811 177.584 -0.415 0.000 1.186 13 A CA 1.593 53.467 52.037 -0.271 0.000 0.624 13 A CB -0.994 17.876 19.000 -0.216 0.000 0.822 13 A HN 0.521 nan 8.150 nan 0.000 0.444 14 C N -0.938 118.179 119.300 -0.304 0.000 2.419 14 C HA -0.005 4.455 4.460 -0.000 0.000 0.281 14 C C 2.363 177.204 174.990 -0.247 0.000 1.336 14 C CA 0.812 59.646 59.018 -0.307 0.000 1.770 14 C CB -1.116 26.497 27.740 -0.213 0.000 1.929 14 C HN 0.602 nan 8.230 nan 0.000 0.509 15 L N 0.524 121.634 121.223 -0.189 0.000 2.307 15 L HA 0.088 4.428 4.340 -0.000 0.000 0.211 15 L C 1.820 178.597 176.870 -0.155 0.000 1.099 15 L CA 1.818 56.573 54.840 -0.142 0.000 0.816 15 L CB -0.598 41.410 42.059 -0.084 0.000 0.952 15 L HN 0.456 nan 8.230 nan 0.000 0.455 16 E N -1.647 118.429 120.200 -0.206 0.000 2.541 16 E HA 0.193 4.543 4.350 -0.000 0.000 0.219 16 E C 0.769 177.157 176.600 -0.354 0.000 0.922 16 E CA 0.041 56.334 56.400 -0.179 0.000 1.095 16 E CB 0.961 30.633 29.700 -0.047 0.000 1.112 16 E HN 0.319 nan 8.360 nan 0.000 0.516 17 G N 0.909 109.238 108.800 -0.784 0.000 2.552 17 G HA2 0.248 4.208 3.960 -0.000 0.000 0.324 17 G HA3 0.248 4.208 3.960 -0.000 0.000 0.324 17 G C -0.275 173.954 174.900 -1.119 0.000 1.217 17 G CA -0.540 43.546 45.100 -1.690 0.000 0.989 17 G HN -0.107 nan 8.290 nan 0.000 0.490 18 E N 1.406 120.921 120.200 -1.141 0.000 1.979 18 E HA 0.075 4.425 4.350 -0.000 0.000 0.285 18 E C 1.434 177.828 176.600 -0.342 0.000 1.188 18 E CA -0.291 55.864 56.400 -0.408 0.000 1.214 18 E CB 0.721 30.383 29.700 -0.063 0.000 1.210 18 E HN 0.380 nan 8.360 nan 0.000 0.477 19 V N -1.628 118.037 119.914 -0.414 0.000 3.649 19 V HA 0.326 4.446 4.120 -0.000 0.000 0.275 19 V C 0.989 176.920 176.094 -0.271 0.000 1.281 19 V CA -0.049 62.038 62.300 -0.356 0.000 1.143 19 V CB -0.180 31.356 31.823 -0.479 0.000 0.892 19 V HN 0.258 nan 8.190 nan 0.000 0.441 20 A N -0.477 122.243 122.820 -0.166 0.000 2.304 20 A HA 0.624 4.944 4.320 -0.000 0.000 0.271 20 A C -0.392 177.162 177.584 -0.050 0.000 1.091 20 A CA -0.500 51.505 52.037 -0.053 0.000 0.812 20 A CB -0.041 18.987 19.000 0.046 0.000 1.056 20 A HN 0.414 nan 8.150 nan 0.000 0.489 21 Y N 0.379 120.664 120.300 -0.025 0.000 2.597 21 Y HA 0.054 4.604 4.550 -0.000 0.000 0.336 21 Y C 1.688 177.586 175.900 -0.003 0.000 1.216 21 Y CA 0.594 58.682 58.100 -0.019 0.000 1.463 21 Y CB 0.688 39.127 38.460 -0.035 0.000 1.303 21 Y HN 0.669 nan 8.280 nan 0.000 0.576 22 Q N 1.927 121.818 119.800 0.152 0.000 2.324 22 Q HA 0.048 4.388 4.340 -0.000 0.000 0.207 22 Q C 1.078 177.134 176.000 0.093 0.000 0.928 22 Q CA 1.051 56.913 55.803 0.097 0.000 0.890 22 Q CB 0.265 29.043 28.738 0.067 0.000 1.001 22 Q HN 0.723 nan 8.270 nan 0.000 0.517 23 K N 0.474 120.941 120.400 0.113 0.000 2.312 23 K HA 0.114 4.434 4.320 -0.000 0.000 0.206 23 K C 0.669 177.302 176.600 0.054 0.000 1.121 23 K CA 0.625 56.957 56.287 0.074 0.000 0.923 23 K CB 0.297 32.836 32.500 0.066 0.000 1.162 23 K HN 0.169 nan 8.250 nan 0.000 0.478 24 T N 1.771 116.366 114.554 0.069 0.000 2.930 24 T HA 0.155 4.505 4.350 -0.000 0.000 0.306 24 T C 0.375 175.007 174.700 -0.113 0.000 1.045 24 T CA -0.480 61.594 62.100 -0.043 0.000 1.134 24 T CB 1.081 69.879 68.868 -0.117 0.000 0.961 24 T HN 0.258 nan 8.240 nan 0.000 0.545 25 T N -2.126 112.350 114.554 -0.130 0.000 2.910 25 T HA 0.487 4.837 4.350 -0.000 0.000 0.287 25 T C 1.610 176.213 174.700 -0.162 0.000 1.050 25 T CA -0.220 61.803 62.100 -0.127 0.000 1.011 25 T CB 1.252 70.082 68.868 -0.064 0.000 1.195 25 T HN 0.720 nan 8.240 nan 0.000 0.540 26 T N -2.179 112.289 114.554 -0.143 0.000 2.833 26 T HA 0.203 4.553 4.350 -0.000 0.000 0.269 26 T C 1.924 176.597 174.700 -0.044 0.000 1.054 26 T CA 1.570 63.597 62.100 -0.122 0.000 1.135 26 T CB -1.142 67.659 68.868 -0.111 0.000 0.869 26 T HN 2.095 nan 8.240 nan 0.000 0.466 27 G N 0.817 109.607 108.800 -0.017 0.000 2.195 27 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.246 27 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.246 27 G C 0.790 175.781 174.900 0.151 0.000 0.984 27 G CA 0.294 45.418 45.100 0.040 0.000 0.633 27 G HN 0.550 nan 8.290 nan 0.000 0.525 28 L N 1.364 122.669 121.223 0.136 0.000 2.265 28 L HA -0.030 4.310 4.340 -0.000 0.000 0.215 28 L C 2.899 179.889 176.870 0.200 0.000 1.117 28 L CA 1.757 56.729 54.840 0.220 0.000 0.782 28 L CB -0.285 41.821 42.059 0.078 0.000 0.914 28 L HN 0.599 nan 8.230 nan 0.000 0.441 29 E N 0.554 120.799 120.200 0.075 0.000 2.338 29 E HA -0.154 4.196 4.350 -0.000 0.000 0.197 29 E C 1.796 178.379 176.600 -0.029 0.000 1.007 29 E CA 1.285 57.699 56.400 0.022 0.000 0.849 29 E CB -0.321 29.374 29.700 -0.009 0.000 0.774 29 E HN 0.410 nan 8.360 nan 0.000 0.506 30 G N 0.091 108.833 108.800 -0.098 0.000 2.920 30 G HA2 0.148 4.108 3.960 -0.000 0.000 0.208 30 G HA3 0.148 4.108 3.960 -0.000 0.000 0.208 30 G C -0.141 174.394 174.900 -0.608 0.000 1.159 30 G CA -0.217 44.662 45.100 -0.368 0.000 0.784 30 G HN 0.108 nan 8.290 nan 0.000 0.535 31 F N -0.897 119.041 119.950 -0.019 0.000 2.565 31 F HA 0.604 5.131 4.527 -0.000 0.000 0.313 31 F C 0.275 176.067 175.800 -0.013 0.000 1.091 31 F CA -1.175 56.816 58.000 -0.015 0.000 0.915 31 F CB 2.003 40.994 39.000 -0.014 0.000 1.208 31 F HN -0.325 nan 8.300 nan 0.000 0.453 32 R N 2.141 122.745 120.500 0.172 0.000 2.562 32 R HA 0.602 4.942 4.340 -0.000 0.000 0.298 32 R C -1.114 175.245 176.300 0.099 0.000 0.961 32 R CA -0.985 55.173 56.100 0.098 0.000 0.881 32 R CB 1.867 32.199 30.300 0.054 0.000 1.159 32 R HN 0.636 nan 8.270 nan 0.000 0.450 33 L N 3.819 125.085 121.223 0.072 0.000 2.416 33 L HA 0.232 4.572 4.340 -0.000 0.000 0.272 33 L C 0.845 177.759 176.870 0.074 0.000 1.161 33 L CA -0.079 54.798 54.840 0.061 0.000 0.845 33 L CB 0.388 42.477 42.059 0.049 0.000 1.119 33 L HN 0.339 nan 8.230 nan 0.000 0.464 34 R N 3.244 123.780 120.500 0.060 0.000 2.459 34 R HA 0.017 4.357 4.340 -0.000 0.000 0.301 34 R C -0.696 175.647 176.300 0.071 0.000 1.286 34 R CA -0.324 55.810 56.100 0.057 0.000 1.046 34 R CB -0.303 30.010 30.300 0.023 0.000 1.071 34 R HN 0.364 nan 8.270 nan 0.000 0.512 35 Y N 3.296 123.577 120.300 -0.033 0.000 2.605 35 Y HA -0.061 4.489 4.550 -0.000 0.000 0.336 35 Y C -0.145 175.715 175.900 -0.066 0.000 1.111 35 Y CA 0.007 58.075 58.100 -0.053 0.000 1.422 35 Y CB 0.637 39.071 38.460 -0.043 0.000 1.193 35 Y HN 0.298 nan 8.280 nan 0.000 0.526 36 Q N 6.519 125.978 119.800 -0.568 0.000 2.509 36 Q HA 0.362 4.702 4.340 -0.000 0.000 0.236 36 Q C 0.900 176.387 176.000 -0.855 0.000 1.073 36 Q CA 0.209 55.668 55.803 -0.572 0.000 0.867 36 Q CB 1.230 29.779 28.738 -0.315 0.000 1.181 36 Q HN 0.945 nan 8.270 nan 0.000 0.526 37 A N 2.500 124.705 122.820 -1.025 0.000 2.024 37 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 37 A C 1.103 178.485 177.584 -0.337 0.000 1.164 37 A CA 1.146 52.766 52.037 -0.695 0.000 0.643 37 A CB 0.109 18.912 19.000 -0.328 0.000 0.806 37 A HN 0.602 nan 8.150 nan 0.000 0.451 38 L N -1.088 119.967 121.223 -0.281 0.000 3.154 38 L HA 0.293 4.633 4.340 -0.000 0.000 0.266 38 L C 1.615 178.387 176.870 -0.163 0.000 1.300 38 L CA 0.110 54.847 54.840 -0.171 0.000 1.028 38 L CB 0.460 42.450 42.059 -0.115 0.000 1.412 38 L HN 0.303 nan 8.230 nan 0.000 0.564 39 A N -0.182 122.508 122.820 -0.217 0.000 2.209 39 A HA 0.195 4.515 4.320 -0.000 0.000 0.212 39 A C 1.681 179.196 177.584 -0.115 0.000 1.158 39 A CA 0.638 52.572 52.037 -0.172 0.000 0.742 39 A CB -0.435 18.432 19.000 -0.222 0.000 0.790 39 A HN 0.579 nan 8.150 nan 0.000 0.472 40 G N -0.363 108.373 108.800 -0.106 0.000 2.372 40 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.290 40 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.290 40 G C -0.219 174.681 174.900 0.000 0.000 0.965 40 G CA 0.824 45.899 45.100 -0.042 0.000 1.263 40 G HN 1.467 nan 8.290 nan 0.000 0.498 41 L N -2.730 118.515 121.223 0.036 0.000 2.322 41 L HA 1.060 5.400 4.340 -0.000 0.000 0.252 41 L C 0.039 177.075 176.870 0.277 0.000 1.055 41 L CA -1.392 53.518 54.840 0.116 0.000 0.849 41 L CB 1.122 43.238 42.059 0.094 0.000 1.446 41 L HN 0.893 nan 8.230 nan 0.000 0.416 42 A N 0.256 123.210 122.820 0.224 0.000 2.317 42 A HA 0.636 4.956 4.320 -0.000 0.000 0.327 42 A C 0.691 178.319 177.584 0.074 0.000 1.178 42 A CA -0.428 51.709 52.037 0.167 0.000 0.817 42 A CB 0.844 19.878 19.000 0.056 0.000 1.189 42 A HN 0.972 nan 8.150 nan 0.000 0.489 43 L N 3.173 124.199 121.223 -0.328 0.000 2.081 43 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 43 L C 2.491 179.229 176.870 -0.220 0.000 1.080 43 L CA 3.126 57.579 54.840 -0.644 0.000 0.754 43 L CB -0.655 40.813 42.059 -0.984 0.000 0.893 43 L HN 0.814 nan 8.230 nan 0.000 0.433 44 S N -0.497 115.117 115.700 -0.144 0.000 2.442 44 S HA -0.223 4.247 4.470 -0.000 0.000 0.236 44 S C 1.573 176.159 174.600 -0.023 0.000 1.007 44 S CA 0.994 59.150 58.200 -0.072 0.000 0.965 44 S CB -0.793 62.375 63.200 -0.054 0.000 0.773 44 S HN 0.821 nan 8.310 nan 0.000 0.504 45 E N 0.986 121.190 120.200 0.007 0.000 2.489 45 E HA 0.197 4.547 4.350 -0.000 0.000 0.193 45 E C 0.362 176.991 176.600 0.050 0.000 1.057 45 E CA -0.080 56.340 56.400 0.034 0.000 0.866 45 E CB 0.056 29.785 29.700 0.049 0.000 0.916 45 E HN 0.344 nan 8.360 nan 0.000 0.500 46 V N 2.289 122.236 119.914 0.056 0.000 2.389 46 V HA 0.085 4.204 4.120 -0.000 0.000 0.264 46 V C -0.758 175.364 176.094 0.046 0.000 1.049 46 V CA -0.474 61.870 62.300 0.072 0.000 0.932 46 V CB 1.017 32.908 31.823 0.113 0.000 1.011 46 V HN 0.243 nan 8.190 nan 0.000 0.475 47 D N 5.777 126.204 120.400 0.046 0.000 2.280 47 D HA 0.228 4.868 4.640 -0.000 0.000 0.236 47 D C 0.724 177.052 176.300 0.047 0.000 1.082 47 D CA -0.400 53.624 54.000 0.039 0.000 0.834 47 D CB 1.866 42.687 40.800 0.035 0.000 1.100 47 D HN 0.602 nan 8.370 nan 0.000 0.486 48 L N 2.575 123.826 121.223 0.047 0.000 2.554 48 L HA 0.034 4.374 4.340 -0.000 0.000 0.226 48 L C 1.011 177.916 176.870 0.059 0.000 1.137 48 L CA 0.245 55.120 54.840 0.058 0.000 0.863 48 L CB -0.199 41.898 42.059 0.063 0.000 0.985 48 L HN 0.344 nan 8.230 nan 0.000 0.451 49 T N 1.602 116.187 114.554 0.051 0.000 2.866 49 T HA 0.119 4.469 4.350 -0.000 0.000 0.293 49 T C 0.466 175.203 174.700 0.061 0.000 1.005 49 T CA 0.522 62.655 62.100 0.054 0.000 1.162 49 T CB 0.105 69.001 68.868 0.046 0.000 0.968 49 T HN 0.383 nan 8.240 nan 0.000 0.530 50 T N 1.982 116.580 114.554 0.073 0.000 3.237 50 T HA 0.489 4.839 4.350 -0.000 0.000 0.319 50 T C -3.317 171.452 174.700 0.115 0.000 1.037 50 T CA -1.780 60.370 62.100 0.084 0.000 1.048 50 T CB 2.275 71.188 68.868 0.074 0.000 1.081 50 T HN 0.244 nan 8.240 nan 0.000 0.455 51 P HA 0.511 nan 4.420 nan 0.000 0.287 51 P C -1.339 176.097 177.300 0.227 0.000 1.281 51 P CA -0.369 62.813 63.100 0.136 0.000 0.781 51 P CB 0.579 32.333 31.700 0.091 0.000 0.903 52 F N 4.719 124.688 119.950 0.032 0.000 2.578 52 F HA 0.307 4.834 4.527 -0.000 0.000 0.311 52 F C 0.438 176.254 175.800 0.027 0.000 1.094 52 F CA -1.140 56.878 58.000 0.030 0.000 0.923 52 F CB 1.293 40.311 39.000 0.030 0.000 1.230 52 F HN 0.182 nan 8.300 nan 0.000 0.450 53 L N 5.251 126.022 121.223 -0.754 0.000 3.829 53 L HA -0.238 4.102 4.340 -0.000 0.000 0.440 53 L C 0.859 177.598 176.870 -0.217 0.000 1.192 53 L CA 1.047 55.550 54.840 -0.560 0.000 0.848 53 L CB -1.995 39.627 42.059 -0.729 0.000 1.744 53 L HN 1.263 nan 8.230 nan 0.000 0.920 54 G N -0.027 108.703 108.800 -0.117 0.000 2.324 54 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.292 54 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.292 54 G C -0.036 174.854 174.900 -0.017 0.000 1.079 54 G CA 0.632 45.704 45.100 -0.046 0.000 1.026 54 G HN 0.537 nan 8.290 nan 0.000 0.506 55 K N -1.120 119.287 120.400 0.011 0.000 2.639 55 K HA 0.369 4.689 4.320 -0.000 0.000 0.279 55 K C -1.026 175.615 176.600 0.069 0.000 0.976 55 K CA -0.845 55.465 56.287 0.037 0.000 0.861 55 K CB 1.307 33.831 32.500 0.039 0.000 1.436 55 K HN 0.060 nan 8.250 nan 0.000 0.400 56 T N 2.868 117.460 114.554 0.063 0.000 2.832 56 T HA 0.371 4.721 4.350 -0.000 0.000 0.313 56 T C 0.099 174.846 174.700 0.078 0.000 1.035 56 T CA -0.529 61.615 62.100 0.073 0.000 0.950 56 T CB -0.076 68.825 68.868 0.054 0.000 0.984 56 T HN 0.218 nan 8.240 nan 0.000 0.486 57 L N 2.933 124.217 121.223 0.102 0.000 2.418 57 L HA 0.398 4.738 4.340 -0.000 0.000 0.265 57 L C 1.579 178.496 176.870 0.079 0.000 1.143 57 L CA -0.574 54.326 54.840 0.099 0.000 0.809 57 L CB 0.756 42.891 42.059 0.126 0.000 1.124 57 L HN 0.514 nan 8.230 nan 0.000 0.456 58 K N 1.148 121.589 120.400 0.067 0.000 2.459 58 K HA 0.273 4.593 4.320 -0.000 0.000 0.193 58 K C 0.066 176.701 176.600 0.059 0.000 1.030 58 K CA 0.243 56.562 56.287 0.053 0.000 1.026 58 K CB 0.318 32.840 32.500 0.037 0.000 0.809 58 K HN 0.687 nan 8.250 nan 0.000 0.504 59 A N 1.282 124.150 122.820 0.080 0.000 2.589 59 A HA 0.313 4.633 4.320 -0.000 0.000 0.296 59 A C -2.714 174.945 177.584 0.125 0.000 1.062 59 A CA -1.233 50.863 52.037 0.099 0.000 0.686 59 A CB 1.098 20.156 19.000 0.096 0.000 1.282 59 A HN -0.152 nan 8.150 nan 0.000 0.404 60 P HA 0.162 nan 4.420 nan 0.000 0.249 60 P C -0.755 176.594 177.300 0.081 0.000 1.686 60 P CA 0.637 63.772 63.100 0.057 0.000 0.873 60 P CB -0.806 30.919 31.700 0.041 0.000 1.828 61 F N 1.077 120.995 119.950 -0.053 0.000 2.532 61 F HA 0.533 5.060 4.527 0.000 0.000 0.321 61 F C -1.041 174.707 175.800 -0.086 0.000 1.089 61 F CA -1.106 56.849 58.000 -0.075 0.000 0.926 61 F CB 1.574 40.537 39.000 -0.062 0.000 1.168 61 F HN -0.216 nan 8.300 nan 0.000 0.459 62 L N 6.927 127.797 121.223 -0.588 0.000 2.410 62 L HA 0.481 4.821 4.340 -0.000 0.000 0.270 62 L C -0.652 175.935 176.870 -0.471 0.000 0.983 62 L CA -0.932 53.719 54.840 -0.314 0.000 0.822 62 L CB 2.192 44.106 42.059 -0.241 0.000 1.285 62 L HN 0.562 nan 8.230 nan 0.000 0.409 63 I N 2.183 122.697 120.570 -0.093 0.000 2.556 63 I HA 0.112 4.282 4.170 -0.000 0.000 0.284 63 I C 1.154 177.198 176.117 -0.121 0.000 1.114 63 I CA 0.216 61.485 61.300 -0.050 0.000 1.418 63 I CB 1.147 39.178 38.000 0.052 0.000 1.394 63 I HN 0.696 nan 8.210 nan 0.000 0.552 64 G N 4.655 113.366 108.800 -0.149 0.000 2.594 64 G HA2 0.418 4.378 3.960 -0.000 0.000 0.243 64 G HA3 0.418 4.378 3.960 -0.000 0.000 0.243 64 G C 0.265 175.122 174.900 -0.072 0.000 1.229 64 G CA -0.273 44.762 45.100 -0.108 0.000 0.843 64 G HN 0.834 nan 8.290 nan 0.000 0.578 75 R N 3.029 123.524 120.500 -0.009 0.000 2.200 75 R HA 0.300 4.640 4.340 -0.000 0.000 0.208 75 R C 2.568 178.861 176.300 -0.012 0.000 1.033 75 R CA 1.493 57.588 56.100 -0.009 0.000 1.000 75 R CB -1.283 29.013 30.300 -0.007 0.000 0.906 75 R HN 0.441 nan 8.270 nan 0.000 0.462 76 I N -0.901 119.660 120.570 -0.014 0.000 2.226 76 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 76 I C 1.136 177.240 176.117 -0.021 0.000 1.100 76 I CA 1.420 62.708 61.300 -0.020 0.000 1.374 76 I CB -0.652 37.334 38.000 -0.023 0.000 1.057 76 I HN 0.052 nan 8.210 nan 0.000 0.413 77 N N 1.868 120.556 118.700 -0.020 0.000 2.205 77 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 77 N C 2.040 177.540 175.510 -0.016 0.000 1.015 77 N CA 1.484 54.521 53.050 -0.021 0.000 0.862 77 N CB -0.258 38.215 38.487 -0.023 0.000 0.986 77 N HN 0.469 nan 8.380 nan 0.000 0.429 78 L N 0.540 121.755 121.223 -0.014 0.000 2.217 78 L HA -0.008 4.331 4.340 -0.000 0.000 0.211 78 L C 2.420 179.285 176.870 -0.008 0.000 1.107 78 L CA 0.537 55.371 54.840 -0.010 0.000 0.783 78 L CB -0.274 41.779 42.059 -0.009 0.000 0.919 78 L HN 0.104 nan 8.230 nan 0.000 0.442 79 A N -0.118 122.696 122.820 -0.010 0.000 1.935 79 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 79 A C 2.211 179.789 177.584 -0.009 0.000 1.178 79 A CA 0.751 52.783 52.037 -0.009 0.000 0.640 79 A CB -0.333 18.660 19.000 -0.012 0.000 0.825 79 A HN 0.282 nan 8.150 nan 0.000 0.447 80 L N -0.650 120.564 121.223 -0.014 0.000 2.005 80 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 80 L C 3.138 180.009 176.870 0.002 0.000 1.072 80 L CA 1.117 55.950 54.840 -0.011 0.000 0.744 80 L CB -0.580 41.467 42.059 -0.020 0.000 0.895 80 L HN 0.416 nan 8.230 nan 0.000 0.433 81 A N -0.065 122.754 122.820 -0.001 0.000 1.865 81 A HA -0.300 4.020 4.320 -0.000 0.000 0.217 81 A C 2.223 179.810 177.584 0.006 0.000 1.191 81 A CA 2.055 54.094 52.037 0.003 0.000 0.623 81 A CB -0.712 18.285 19.000 -0.003 0.000 0.826 81 A HN 0.487 nan 8.150 nan 0.000 0.444 82 E N -0.282 119.919 120.200 0.002 0.000 2.130 82 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 82 E C 2.005 178.609 176.600 0.006 0.000 0.998 82 E CA 1.302 57.704 56.400 0.003 0.000 0.806 82 E CB -0.255 29.446 29.700 0.001 0.000 0.738 82 E HN 0.572 nan 8.360 nan 0.000 0.459 83 A N 0.781 123.606 122.820 0.007 0.000 1.930 83 A HA 0.071 4.391 4.320 -0.000 0.000 0.215 83 A C 2.372 179.963 177.584 0.013 0.000 1.176 83 A CA 1.306 53.348 52.037 0.008 0.000 0.632 83 A CB -0.614 18.391 19.000 0.009 0.000 0.819 83 A HN 0.403 nan 8.150 nan 0.000 0.445 84 A N -0.088 122.745 122.820 0.023 0.000 1.892 84 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 84 A C 2.000 179.603 177.584 0.031 0.000 1.188 84 A CA 1.795 53.856 52.037 0.039 0.000 0.631 84 A CB -0.467 18.560 19.000 0.045 0.000 0.822 84 A HN 0.499 nan 8.150 nan 0.000 0.447 85 E N -0.318 119.895 120.200 0.021 0.000 2.007 85 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 85 E C 2.495 179.104 176.600 0.014 0.000 0.999 85 E CA 1.210 57.620 56.400 0.018 0.000 0.811 85 E CB -0.711 28.996 29.700 0.012 0.000 0.762 85 E HN 0.531 nan 8.360 nan 0.000 0.450 86 A N 0.964 123.789 122.820 0.009 0.000 1.915 86 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 86 A C 2.186 179.771 177.584 0.003 0.000 1.198 86 A CA 1.967 54.007 52.037 0.005 0.000 0.647 86 A CB -0.587 18.415 19.000 0.002 0.000 0.825 86 A HN 0.178 nan 8.150 nan 0.000 0.456 87 L N -2.085 119.138 121.223 0.001 0.000 2.513 87 L HA 0.343 4.683 4.340 -0.000 0.000 0.222 87 L C 1.583 178.458 176.870 0.008 0.000 1.096 87 L CA 1.096 55.932 54.840 -0.007 0.000 0.857 87 L CB -0.245 41.793 42.059 -0.035 0.000 1.026 87 L HN 0.688 nan 8.230 nan 0.000 0.469 88 G N 0.546 109.360 108.800 0.024 0.000 2.204 88 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.244 88 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.244 88 G C 0.063 175.001 174.900 0.064 0.000 1.062 88 G CA 0.144 45.268 45.100 0.040 0.000 0.798 88 G HN 0.338 nan 8.290 nan 0.000 0.496 89 V N -2.216 117.746 119.914 0.080 0.000 3.019 89 V HA 1.034 5.154 4.120 -0.000 0.000 0.317 89 V C 1.035 177.211 176.094 0.136 0.000 1.094 89 V CA -0.204 62.179 62.300 0.139 0.000 1.000 89 V CB 1.667 33.620 31.823 0.218 0.000 1.060 89 V HN 1.254 nan 8.190 nan 0.000 0.443 94 G N -0.327 108.432 108.800 -0.068 0.000 2.667 94 G HA2 0.334 4.294 3.960 -0.000 0.000 0.250 94 G HA3 0.334 4.294 3.960 -0.000 0.000 0.250 94 G C -0.010 174.844 174.900 -0.075 0.000 1.212 94 G CA 0.015 45.068 45.100 -0.078 0.000 0.874 94 G HN 0.631 nan 8.290 nan 0.000 0.561 95 S N -0.588 115.070 115.700 -0.070 0.000 2.670 95 S HA 0.163 4.633 4.470 -0.000 0.000 0.308 95 S C 1.615 176.170 174.600 -0.075 0.000 1.232 95 S CA 0.233 58.408 58.200 -0.041 0.000 1.126 95 S CB -0.119 63.086 63.200 0.009 0.000 0.897 95 S HN 0.955 nan 8.310 nan 0.000 0.508 96 G N 5.062 113.802 108.800 -0.100 0.000 3.061 96 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.208 96 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.208 96 G C 1.486 176.314 174.900 -0.119 0.000 1.175 96 G CA -0.337 44.701 45.100 -0.104 0.000 0.812 96 G HN 0.643 nan 8.290 nan 0.000 0.523 97 R N 0.466 120.884 120.500 -0.136 0.000 2.133 97 R HA -0.132 4.208 4.340 -0.000 0.000 0.247 97 R C 2.071 178.303 176.300 -0.113 0.000 1.151 97 R CA 1.153 57.141 56.100 -0.186 0.000 0.971 97 R CB -0.352 29.856 30.300 -0.154 0.000 0.866 97 R HN 0.440 nan 8.270 nan 0.000 0.447 98 I N 0.539 121.069 120.570 -0.067 0.000 2.830 98 I HA -0.189 3.981 4.170 -0.000 0.000 0.263 98 I C 2.080 178.189 176.117 -0.014 0.000 1.230 98 I CA 0.452 61.735 61.300 -0.029 0.000 1.480 98 I CB -0.337 37.646 38.000 -0.029 0.000 1.095 98 I HN 0.077 nan 8.210 nan 0.000 0.455 99 L N -0.218 120.987 121.223 -0.030 0.000 2.179 99 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 99 L C 1.972 178.852 176.870 0.016 0.000 1.096 99 L CA 1.575 56.406 54.840 -0.015 0.000 0.779 99 L CB -0.300 41.738 42.059 -0.035 0.000 0.922 99 L HN 0.164 nan 8.230 nan 0.000 0.443 100 L N -1.080 120.163 121.223 0.033 0.000 2.610 100 L HA -0.028 4.312 4.340 -0.000 0.000 0.232 100 L C 1.555 178.535 176.870 0.182 0.000 1.149 100 L CA 0.451 55.374 54.840 0.138 0.000 0.872 100 L CB -0.244 41.960 42.059 0.242 0.000 0.992 100 L HN 0.350 nan 8.230 nan 0.000 0.447 101 E N -0.199 120.069 120.200 0.114 0.000 2.434 101 E HA 0.162 4.512 4.350 -0.000 0.000 0.207 101 E C 0.324 176.953 176.600 0.049 0.000 0.929 101 E CA 0.003 56.460 56.400 0.096 0.000 1.001 101 E CB 0.738 30.495 29.700 0.094 0.000 1.016 101 E HN 0.260 nan 8.360 nan 0.000 0.502 102 R N 0.838 121.359 120.500 0.035 0.000 2.684 102 R HA 0.173 4.513 4.340 -0.000 0.000 0.252 102 R C -2.444 173.864 176.300 0.013 0.000 1.628 102 R CA -1.174 54.938 56.100 0.020 0.000 1.622 102 R CB 1.070 31.377 30.300 0.013 0.000 1.418 102 R HN -0.058 nan 8.270 nan 0.000 0.697 103 P HA -0.223 nan 4.420 nan 0.000 0.219 103 P C 0.456 177.758 177.300 0.004 0.000 1.144 103 P CA 1.417 64.523 63.100 0.010 0.000 0.806 103 P CB 0.442 32.150 31.700 0.013 0.000 0.771 104 E N 0.245 120.448 120.200 0.005 0.000 2.031 104 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 104 E C 1.580 178.179 176.600 -0.001 0.000 0.994 104 E CA 1.260 57.661 56.400 0.002 0.000 0.800 104 E CB -1.284 28.418 29.700 0.003 0.000 0.752 104 E HN 0.123 nan 8.360 nan 0.000 0.447 105 A N 1.934 124.753 122.820 -0.001 0.000 2.958 105 A HA 0.090 4.410 4.320 -0.000 0.000 0.247 105 A C 0.672 178.251 177.584 -0.008 0.000 1.679 105 A CA -0.012 52.023 52.037 -0.004 0.000 1.345 105 A CB -0.834 18.164 19.000 -0.003 0.000 1.013 105 A HN 0.255 nan 8.150 nan 0.000 0.641 106 L N -1.787 119.431 121.223 -0.008 0.000 2.667 106 L HA 0.313 4.653 4.340 -0.000 0.000 0.232 106 L C 0.736 177.597 176.870 -0.015 0.000 1.138 106 L CA -0.134 54.698 54.840 -0.013 0.000 0.921 106 L CB -1.966 40.085 42.059 -0.012 0.000 1.180 106 L HN 0.549 nan 8.230 nan 0.000 0.487 111 V N 4.334 124.236 119.914 -0.021 0.000 3.411 111 V HA 0.188 4.308 4.120 -0.000 0.000 0.287 111 V C 1.531 177.617 176.094 -0.014 0.000 1.543 111 V CA 0.339 62.629 62.300 -0.017 0.000 1.028 111 V CB 0.479 32.291 31.823 -0.019 0.000 0.840 111 V HN 0.731 nan 8.190 nan 0.000 0.435 112 R N 2.070 122.560 120.500 -0.016 0.000 2.170 112 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 112 R C 2.137 178.432 176.300 -0.008 0.000 1.145 112 R CA 2.322 58.414 56.100 -0.013 0.000 0.984 112 R CB -0.382 29.909 30.300 -0.015 0.000 0.869 112 R HN 0.743 nan 8.270 nan 0.000 0.455 113 K N -1.089 119.306 120.400 -0.008 0.000 2.113 113 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 113 K C 1.498 178.096 176.600 -0.004 0.000 1.047 113 K CA 1.903 58.187 56.287 -0.005 0.000 0.928 113 K CB -0.275 32.221 32.500 -0.006 0.000 0.716 113 K HN 0.089 nan 8.250 nan 0.000 0.446 114 V N 0.293 120.204 119.914 -0.004 0.000 3.174 114 V HA 0.145 4.265 4.120 -0.000 0.000 0.254 114 V C 1.158 177.252 176.094 -0.000 0.000 1.120 114 V CA 0.729 63.028 62.300 -0.002 0.000 1.114 114 V CB 0.273 32.094 31.823 -0.003 0.000 0.756 114 V HN 0.420 nan 8.190 nan 0.000 0.467 115 A N 1.479 124.299 122.820 -0.001 0.000 2.938 115 A HA 0.552 4.872 4.320 -0.000 0.000 0.344 115 A C -1.172 176.413 177.584 0.001 0.000 1.142 115 A CA -1.155 50.883 52.037 0.002 0.000 0.841 115 A CB 0.353 19.354 19.000 0.002 0.000 1.083 115 A HN 0.252 nan 8.150 nan 0.000 0.479 116 P HA -0.184 nan 4.420 nan 0.000 0.214 116 P C 0.862 178.164 177.300 0.004 0.000 1.162 116 P CA 1.479 64.580 63.100 0.002 0.000 0.879 116 P CB 0.318 32.020 31.700 0.003 0.000 0.786 117 K N -0.052 120.353 120.400 0.008 0.000 2.128 117 K HA 0.171 4.491 4.320 -0.000 0.000 0.202 117 K C 1.487 178.097 176.600 0.016 0.000 1.050 117 K CA 0.312 56.606 56.287 0.012 0.000 0.966 117 K CB -1.182 31.326 32.500 0.015 0.000 0.759 117 K HN 0.071 nan 8.250 nan 0.000 0.454 118 A N 2.798 125.629 122.820 0.019 0.000 2.616 118 A HA -0.041 4.279 4.320 -0.000 0.000 0.234 118 A C 0.248 177.847 177.584 0.027 0.000 1.024 118 A CA -0.112 51.942 52.037 0.028 0.000 0.758 118 A CB -0.388 18.629 19.000 0.027 0.000 0.939 118 A HN 0.329 nan 8.150 nan 0.000 0.510 119 L N 3.828 125.078 121.223 0.044 0.000 2.462 119 L HA 0.422 4.762 4.340 -0.000 0.000 0.272 119 L C -0.457 176.433 176.870 0.033 0.000 1.166 119 L CA 0.702 55.567 54.840 0.043 0.000 0.880 119 L CB -0.140 41.970 42.059 0.085 0.000 1.142 119 L HN 0.497 nan 8.230 nan 0.000 0.473 120 L N 6.891 128.115 121.223 0.001 0.000 2.372 120 L HA 0.418 4.758 4.340 -0.000 0.000 0.273 120 L C -0.818 176.024 176.870 -0.047 0.000 0.989 120 L CA -0.796 54.033 54.840 -0.017 0.000 0.841 120 L CB 1.531 43.570 42.059 -0.032 0.000 1.225 120 L HN 0.476 nan 8.230 nan 0.000 0.414 121 I N 2.981 123.529 120.570 -0.036 0.000 2.337 121 I HA 0.345 4.515 4.170 -0.000 0.000 0.291 121 I C 0.931 176.980 176.117 -0.113 0.000 1.046 121 I CA 0.325 61.582 61.300 -0.072 0.000 1.324 121 I CB 1.419 39.408 38.000 -0.018 0.000 1.409 121 I HN 0.626 nan 8.210 nan 0.000 0.494 122 A N 5.912 128.622 122.820 -0.183 0.000 2.366 122 A HA 0.423 4.743 4.320 -0.000 0.000 0.249 122 A C 0.142 177.599 177.584 -0.212 0.000 1.084 122 A CA -0.276 51.638 52.037 -0.205 0.000 0.794 122 A CB 0.264 19.095 19.000 -0.282 0.000 1.034 122 A HN 0.733 nan 8.150 nan 0.000 0.491 123 N N 0.804 119.395 118.700 -0.182 0.000 2.238 123 N HA 0.474 5.214 4.740 -0.000 0.000 0.302 123 N C -0.466 174.940 175.510 -0.172 0.000 1.072 123 N CA -0.521 52.438 53.050 -0.151 0.000 0.792 123 N CB 1.826 40.277 38.487 -0.060 0.000 1.425 123 N HN 0.510 nan 8.380 nan 0.000 0.478 124 L N 1.509 122.607 121.223 -0.208 0.000 2.718 124 L HA 0.350 4.690 4.340 -0.000 0.000 0.247 124 L C 0.064 176.790 176.870 -0.241 0.000 1.028 124 L CA 1.122 55.835 54.840 -0.211 0.000 1.031 124 L CB -0.389 41.498 42.059 -0.287 0.000 1.910 124 L HN 0.841 nan 8.230 nan 0.000 0.526 125 G N 1.560 110.162 108.800 -0.330 0.000 3.409 125 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.686 125 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.686 125 G C 0.269 175.079 174.900 -0.150 0.000 1.017 125 G CA 0.083 44.730 45.100 -0.754 0.000 0.854 125 G HN 0.188 nan 8.290 nan 0.000 0.508 126 L N 2.616 123.813 121.223 -0.044 0.000 2.011 126 L HA -0.141 4.199 4.340 -0.000 0.000 0.225 126 L C 3.284 180.062 176.870 -0.155 0.000 1.084 126 L CA 3.858 58.631 54.840 -0.111 0.000 0.791 126 L CB -0.711 41.314 42.059 -0.057 0.000 0.898 126 L HN 1.629 nan 8.230 nan 0.000 0.440 127 A N -1.831 120.872 122.820 -0.195 0.000 2.204 127 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 127 A C 2.027 179.510 177.584 -0.168 0.000 1.165 127 A CA 1.715 53.574 52.037 -0.297 0.000 0.671 127 A CB -0.464 18.250 19.000 -0.476 0.000 0.792 127 A HN 0.634 nan 8.150 nan 0.000 0.473 128 Q N -0.666 119.068 119.800 -0.110 0.000 2.331 128 Q HA 0.121 4.461 4.340 -0.000 0.000 0.203 128 Q C 1.764 177.807 176.000 0.072 0.000 0.944 128 Q CA 0.563 56.345 55.803 -0.035 0.000 0.892 128 Q CB -0.357 28.284 28.738 -0.162 0.000 0.983 128 Q HN 0.752 nan 8.270 nan 0.000 0.482 129 L N 0.603 121.822 121.223 -0.007 0.000 2.642 129 L HA -0.065 4.275 4.340 -0.000 0.000 0.236 129 L C 2.234 179.109 176.870 0.007 0.000 1.169 129 L CA 0.578 55.417 54.840 -0.000 0.000 0.851 129 L CB -0.268 41.703 42.059 -0.147 0.000 0.968 129 L HN 0.109 nan 8.230 nan 0.000 0.453 130 R N 0.581 121.084 120.500 0.004 0.000 2.297 130 R HA 0.027 4.367 4.340 -0.000 0.000 0.197 130 R C 1.334 177.644 176.300 0.017 0.000 0.943 130 R CA 0.437 56.529 56.100 -0.013 0.000 1.038 130 R CB 0.276 30.545 30.300 -0.053 0.000 0.957 130 R HN 0.290 nan 8.270 nan 0.000 0.484 131 R N -1.746 118.812 120.500 0.097 0.000 2.526 131 R HA 0.198 4.538 4.340 -0.000 0.000 0.346 131 R C -1.008 175.229 176.300 -0.105 0.000 0.926 131 R CA -0.121 55.994 56.100 0.026 0.000 1.147 131 R CB 0.894 31.233 30.300 0.066 0.000 1.629 131 R HN 0.016 nan 8.270 nan 0.000 0.516 132 Y N -0.702 119.594 120.300 -0.007 0.000 2.553 132 Y HA 0.712 5.262 4.550 -0.000 0.000 0.347 132 Y C 0.512 176.424 175.900 0.021 0.000 1.019 132 Y CA -1.236 56.872 58.100 0.013 0.000 1.032 132 Y CB 2.611 41.090 38.460 0.031 0.000 1.284 132 Y HN -0.019 nan 8.280 nan 0.000 0.466 133 G N 0.622 109.519 108.800 0.161 0.000 2.733 133 G HA2 0.432 4.392 3.960 -0.000 0.000 0.288 133 G HA3 0.432 4.392 3.960 -0.000 0.000 0.288 133 G C -0.098 174.872 174.900 0.117 0.000 1.373 133 G CA -0.908 44.257 45.100 0.108 0.000 0.895 133 G HN 0.616 nan 8.290 nan 0.000 0.479 134 R N -0.194 120.360 120.500 0.091 0.000 2.398 134 R HA -0.288 4.052 4.340 -0.000 0.000 0.233 134 R C 1.685 178.047 176.300 0.103 0.000 1.022 134 R CA 3.121 59.272 56.100 0.085 0.000 0.855 134 R CB -0.785 29.539 30.300 0.040 0.000 0.962 134 R HN 0.608 nan 8.270 nan 0.000 0.416 135 D N -0.269 120.181 120.400 0.082 0.000 2.075 135 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 135 D C 1.539 177.905 176.300 0.111 0.000 0.985 135 D CA 1.650 55.699 54.000 0.082 0.000 0.834 135 D CB -0.608 40.224 40.800 0.053 0.000 0.987 135 D HN 0.427 nan 8.370 nan 0.000 0.452 136 D N 0.689 121.163 120.400 0.123 0.000 2.170 136 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 136 D C 2.271 178.663 176.300 0.154 0.000 1.004 136 D CA 0.752 54.850 54.000 0.162 0.000 0.860 136 D CB -0.228 40.732 40.800 0.267 0.000 0.931 136 D HN 0.126 nan 8.370 nan 0.000 0.448 137 L N 0.701 122.033 121.223 0.181 0.000 1.970 137 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 137 L C 2.720 179.694 176.870 0.173 0.000 1.071 137 L CA 1.223 56.174 54.840 0.185 0.000 0.751 137 L CB -1.010 41.242 42.059 0.320 0.000 0.889 137 L HN 0.061 nan 8.230 nan 0.000 0.432 138 L N -1.160 120.221 121.223 0.262 0.000 2.081 138 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 138 L C 2.735 179.678 176.870 0.122 0.000 1.080 138 L CA 1.304 56.312 54.840 0.281 0.000 0.754 138 L CB -0.661 41.522 42.059 0.205 0.000 0.893 138 L HN 0.259 nan 8.230 nan 0.000 0.433 139 R N -0.394 120.156 120.500 0.084 0.000 2.081 139 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 139 R C 2.257 178.558 176.300 0.001 0.000 1.131 139 R CA 1.270 57.396 56.100 0.044 0.000 0.960 139 R CB -0.548 29.784 30.300 0.053 0.000 0.856 139 R HN 0.209 nan 8.270 nan 0.000 0.436 140 L N 0.850 122.061 121.223 -0.021 0.000 1.976 140 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 140 L C 2.169 178.952 176.870 -0.143 0.000 1.071 140 L CA 1.604 56.395 54.840 -0.082 0.000 0.746 140 L CB -0.487 41.504 42.059 -0.115 0.000 0.890 140 L HN -0.117 nan 8.230 nan 0.000 0.432 141 V N -0.412 119.360 119.914 -0.237 0.000 2.469 141 V HA -0.234 3.886 4.120 -0.000 0.000 0.251 141 V C 1.616 177.611 176.094 -0.166 0.000 1.064 141 V CA 1.321 63.418 62.300 -0.338 0.000 1.066 141 V CB -0.903 30.493 31.823 -0.713 0.000 0.667 141 V HN 0.514 nan 8.190 nan 0.000 0.461 145 E N 0.487 120.650 120.200 -0.063 0.000 2.442 145 E HA -0.158 4.192 4.350 -0.000 0.000 0.256 145 E C 0.227 176.789 176.600 -0.062 0.000 1.095 145 E CA 0.439 56.810 56.400 -0.048 0.000 0.747 145 E CB -1.134 28.548 29.700 -0.030 0.000 1.310 145 E HN 0.500 nan 8.360 nan 0.000 0.396 146 A N 0.484 123.242 122.820 -0.103 0.000 2.304 146 A HA 0.277 4.597 4.320 -0.000 0.000 0.271 146 A C 0.853 178.369 177.584 -0.113 0.000 1.091 146 A CA -0.283 51.680 52.037 -0.123 0.000 0.812 146 A CB 0.492 19.377 19.000 -0.192 0.000 1.056 146 A HN 0.215 nan 8.150 nan 0.000 0.489 147 D N 0.021 120.368 120.400 -0.090 0.000 2.339 147 D HA 0.389 5.029 4.640 -0.000 0.000 0.217 147 D C 0.493 176.754 176.300 -0.065 0.000 1.050 147 D CA 1.386 55.352 54.000 -0.057 0.000 0.856 147 D CB 0.462 41.239 40.800 -0.039 0.000 0.922 147 D HN 0.714 nan 8.370 nan 0.000 0.518 148 A N 0.329 123.063 122.820 -0.143 0.000 2.483 148 A HA 0.526 4.846 4.320 -0.000 0.000 0.294 148 A C -2.228 175.169 177.584 -0.311 0.000 1.077 148 A CA -0.639 51.312 52.037 -0.144 0.000 0.633 148 A CB 1.299 20.246 19.000 -0.089 0.000 1.318 148 A HN 0.041 nan 8.150 nan 0.000 0.455 149 L N 0.164 121.229 121.223 -0.264 0.000 2.436 149 L HA 0.844 5.184 4.340 -0.000 0.000 0.268 149 L C -0.647 176.042 176.870 -0.301 0.000 0.974 149 L CA -0.165 54.443 54.840 -0.386 0.000 0.826 149 L CB 1.458 43.178 42.059 -0.566 0.000 1.291 149 L HN 1.542 nan 8.230 nan 0.000 0.406 150 A N 4.684 127.304 122.820 -0.334 0.000 2.330 150 A HA 0.748 5.068 4.320 -0.000 0.000 0.313 150 A C -1.461 175.944 177.584 -0.298 0.000 1.124 150 A CA -0.402 51.510 52.037 -0.207 0.000 0.774 150 A CB 0.717 19.681 19.000 -0.060 0.000 1.198 150 A HN 0.565 nan 8.150 nan 0.000 0.465 151 F N 3.321 123.269 119.950 -0.003 0.000 2.420 151 F HA 0.401 4.928 4.527 0.000 0.000 0.342 151 F C 1.080 176.868 175.800 -0.020 0.000 1.113 151 F CA -0.122 57.838 58.000 -0.065 0.000 1.059 151 F CB 1.433 40.401 39.000 -0.054 0.000 1.128 151 F HN 0.684 nan 8.300 nan 0.000 0.475 152 H N 1.709 120.881 119.070 0.170 0.000 2.469 152 H HA 0.695 5.251 4.556 -0.000 0.000 0.342 152 H C -1.453 173.955 175.328 0.134 0.000 1.115 152 H CA -1.012 55.096 56.048 0.100 0.000 1.204 152 H CB 1.648 31.416 29.762 0.010 0.000 1.492 152 H HN 0.547 nan 8.280 nan 0.000 0.499 153 V N 3.777 123.843 119.914 0.254 0.000 2.630 153 V HA 0.330 4.450 4.120 -0.000 0.000 0.305 153 V C -0.670 175.539 176.094 0.192 0.000 1.046 153 V CA -0.617 61.832 62.300 0.247 0.000 0.934 153 V CB 1.505 33.419 31.823 0.152 0.000 1.003 153 V HN 1.064 nan 8.190 nan 0.000 0.451 154 N N 5.219 124.000 118.700 0.135 0.000 2.728 154 N HA 0.162 4.902 4.740 -0.000 0.000 0.221 154 N C -2.494 172.905 175.510 -0.184 0.000 1.412 154 N CA -0.594 52.460 53.050 0.007 0.000 1.003 154 N CB 0.890 39.444 38.487 0.111 0.000 1.525 154 N HN 0.408 nan 8.380 nan 0.000 0.552 155 P HA -0.174 nan 4.420 nan 0.000 0.216 155 P C 1.633 178.777 177.300 -0.260 0.000 1.153 155 P CA 0.473 63.104 63.100 -0.781 0.000 0.858 155 P CB 0.811 31.964 31.700 -0.911 0.000 0.789 156 L N -0.147 120.932 121.223 -0.239 0.000 2.046 156 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 156 L C 2.848 179.630 176.870 -0.147 0.000 1.077 156 L CA 1.984 56.702 54.840 -0.203 0.000 0.747 156 L CB -0.898 40.963 42.059 -0.329 0.000 0.896 156 L HN 0.060 nan 8.230 nan 0.000 0.432 157 Q N -0.379 119.340 119.800 -0.134 0.000 2.030 157 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 157 Q C 1.885 177.945 176.000 0.099 0.000 0.986 157 Q CA 1.768 57.589 55.803 0.031 0.000 0.843 157 Q CB 0.028 28.836 28.738 0.117 0.000 0.904 157 Q HN 0.420 nan 8.270 nan 0.000 0.420 158 E N 0.207 120.481 120.200 0.124 0.000 2.209 158 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 158 E C 1.768 178.449 176.600 0.135 0.000 0.993 158 E CA 1.007 57.514 56.400 0.178 0.000 0.819 158 E CB -0.225 29.669 29.700 0.323 0.000 0.745 158 E HN 0.498 nan 8.360 nan 0.000 0.477 159 A N 0.944 123.816 122.820 0.087 0.000 1.841 159 A HA -0.129 4.191 4.320 -0.000 0.000 0.214 159 A C 2.620 180.241 177.584 0.063 0.000 1.195 159 A CA 1.527 53.602 52.037 0.063 0.000 0.611 159 A CB -0.787 18.225 19.000 0.020 0.000 0.835 159 A HN 0.134 nan 8.150 nan 0.000 0.443 160 V N 0.468 120.418 119.914 0.061 0.000 2.332 160 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 160 V C 2.746 178.901 176.094 0.102 0.000 1.055 160 V CA 2.362 64.713 62.300 0.086 0.000 1.038 160 V CB -0.939 30.946 31.823 0.102 0.000 0.651 160 V HN 0.790 nan 8.190 nan 0.000 0.450 161 Q N 0.280 120.149 119.800 0.115 0.000 2.167 161 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 161 Q C 0.517 176.569 176.000 0.087 0.000 0.970 161 Q CA 1.017 56.891 55.803 0.119 0.000 0.855 161 Q CB 0.157 28.998 28.738 0.172 0.000 0.911 161 Q HN 0.596 nan 8.270 nan 0.000 0.438 162 R N -0.899 119.652 120.500 0.085 0.000 3.390 162 R HA -0.118 4.222 4.340 -0.000 0.000 0.280 162 R C 0.079 176.421 176.300 0.069 0.000 1.126 162 R CA 0.341 56.482 56.100 0.068 0.000 0.757 162 R CB -2.342 27.988 30.300 0.050 0.000 1.296 162 R HN 0.476 nan 8.270 nan 0.000 0.431 163 G N 0.109 108.961 108.800 0.087 0.000 2.782 163 G HA2 0.261 4.221 3.960 -0.000 0.000 0.201 163 G HA3 0.261 4.221 3.960 -0.000 0.000 0.201 163 G C -0.548 174.390 174.900 0.063 0.000 1.374 163 G CA -0.256 44.889 45.100 0.074 0.000 1.039 163 G HN 0.153 nan 8.290 nan 0.000 0.576 164 D N -0.291 120.130 120.400 0.035 0.000 2.426 164 D HA 0.136 4.776 4.640 -0.000 0.000 0.261 164 D C 0.770 177.085 176.300 0.024 0.000 1.245 164 D CA 0.364 54.355 54.000 -0.016 0.000 0.917 164 D CB 0.829 41.573 40.800 -0.094 0.000 1.123 164 D HN 0.134 nan 8.370 nan 0.000 0.508 165 T N 2.661 117.253 114.554 0.064 0.000 3.145 165 T HA 0.030 4.380 4.350 -0.000 0.000 0.255 165 T C -0.317 174.499 174.700 0.194 0.000 1.039 165 T CA -0.445 61.765 62.100 0.184 0.000 0.928 165 T CB -0.110 68.838 68.868 0.132 0.000 1.029 165 T HN 0.298 nan 8.240 nan 0.000 0.554 166 D N 0.304 120.706 120.400 0.004 0.000 2.427 166 D HA 0.268 4.908 4.640 -0.000 0.000 0.226 166 D C -0.343 175.847 176.300 -0.183 0.000 1.076 166 D CA -0.674 53.321 54.000 -0.009 0.000 0.849 166 D CB 0.244 41.017 40.800 -0.045 0.000 1.052 166 D HN 0.184 nan 8.370 nan 0.000 0.515 167 F N 2.095 122.043 119.950 -0.002 0.000 2.708 167 F HA 0.321 4.848 4.527 -0.000 0.000 0.300 167 F C 1.114 176.906 175.800 -0.013 0.000 1.118 167 F CA -0.668 57.327 58.000 -0.009 0.000 1.307 167 F CB 0.324 39.322 39.000 -0.004 0.000 0.986 167 F HN 0.015 nan 8.300 nan 0.000 0.522 168 R N 0.077 120.629 120.500 0.086 0.000 2.491 168 R HA 0.312 4.652 4.340 -0.000 0.000 0.283 168 R C 1.334 177.644 176.300 0.018 0.000 1.072 168 R CA 0.624 56.755 56.100 0.052 0.000 1.048 168 R CB 0.369 30.687 30.300 0.030 0.000 0.983 168 R HN 0.411 nan 8.270 nan 0.000 0.450 169 G N 2.573 111.384 108.800 0.018 0.000 2.337 169 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.290 169 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.290 169 G C 0.446 175.333 174.900 -0.020 0.000 1.003 169 G CA 0.227 45.325 45.100 -0.002 0.000 0.825 169 G HN 0.470 nan 8.290 nan 0.000 0.509 170 L N -0.550 120.665 121.223 -0.012 0.000 2.209 170 L HA 0.088 4.428 4.340 -0.000 0.000 0.207 170 L C 2.914 179.743 176.870 -0.068 0.000 1.094 170 L CA 1.469 56.278 54.840 -0.051 0.000 0.790 170 L CB -0.253 41.787 42.059 -0.033 0.000 0.932 170 L HN 0.227 nan 8.230 nan 0.000 0.447 171 V N 0.172 120.068 119.914 -0.030 0.000 2.407 171 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 171 V C 2.510 178.576 176.094 -0.048 0.000 1.055 171 V CA 1.767 64.045 62.300 -0.036 0.000 1.049 171 V CB -0.778 31.041 31.823 -0.006 0.000 0.662 171 V HN 0.541 nan 8.190 nan 0.000 0.455 172 E N 1.075 121.252 120.200 -0.038 0.000 2.076 172 E HA -0.221 4.129 4.350 -0.000 0.000 0.190 172 E C 2.222 178.791 176.600 -0.052 0.000 0.979 172 E CA 0.922 57.301 56.400 -0.036 0.000 0.807 172 E CB -0.571 29.116 29.700 -0.023 0.000 0.761 172 E HN 0.528 nan 8.360 nan 0.000 0.454 173 R N 0.505 120.968 120.500 -0.063 0.000 2.170 173 R HA -0.142 4.198 4.340 -0.000 0.000 0.242 173 R C 2.343 178.583 176.300 -0.101 0.000 1.145 173 R CA 1.117 57.174 56.100 -0.073 0.000 0.984 173 R CB -0.165 30.086 30.300 -0.080 0.000 0.869 173 R HN 0.221 nan 8.270 nan 0.000 0.455 174 L N -0.351 120.790 121.223 -0.137 0.000 2.084 174 L HA 0.166 4.506 4.340 -0.000 0.000 0.202 174 L C 2.213 179.031 176.870 -0.087 0.000 1.074 174 L CA 1.844 56.579 54.840 -0.175 0.000 0.757 174 L CB -0.702 41.201 42.059 -0.260 0.000 0.918 174 L HN 0.133 nan 8.230 nan 0.000 0.444 175 A N 0.408 123.191 122.820 -0.063 0.000 1.915 175 A HA -0.338 3.981 4.320 -0.000 0.000 0.220 175 A C 2.128 179.695 177.584 -0.028 0.000 1.198 175 A CA 2.521 54.538 52.037 -0.034 0.000 0.647 175 A CB -1.003 17.982 19.000 -0.025 0.000 0.825 175 A HN 0.758 nan 8.150 nan 0.000 0.456 176 E N 0.271 120.453 120.200 -0.031 0.000 2.001 176 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 176 E C 1.639 178.224 176.600 -0.025 0.000 0.994 176 E CA 1.321 57.706 56.400 -0.025 0.000 0.815 176 E CB -0.869 28.817 29.700 -0.024 0.000 0.770 176 E HN 0.733 nan 8.360 nan 0.000 0.453 177 L N 0.603 121.810 121.223 -0.026 0.000 2.821 177 L HA 0.080 4.420 4.340 -0.000 0.000 0.254 177 L C 1.555 178.416 176.870 -0.015 0.000 1.151 177 L CA 0.478 55.308 54.840 -0.018 0.000 0.937 177 L CB -0.296 41.758 42.059 -0.008 0.000 1.141 177 L HN 0.156 nan 8.230 nan 0.000 0.425 178 L N 1.127 122.339 121.223 -0.019 0.000 1.848 178 L HA 0.165 4.505 4.340 -0.000 0.000 0.225 178 L C -0.942 175.908 176.870 -0.034 0.000 1.106 178 L CA 0.637 55.471 54.840 -0.010 0.000 0.906 178 L CB -1.739 40.317 42.059 -0.005 0.000 0.914 178 L HN 0.311 nan 8.230 nan 0.000 0.476 179 P HA -0.175 nan 4.420 nan 0.000 0.035 179 P C -0.958 176.271 177.300 -0.118 0.000 0.507 179 P CA 0.677 63.738 63.100 -0.064 0.000 1.047 179 P CB -0.564 31.107 31.700 -0.049 0.000 1.842 180 L N 4.618 125.730 121.223 -0.185 0.000 2.375 180 L HA 0.382 4.722 4.340 -0.000 0.000 0.268 180 L C -0.646 175.929 176.870 -0.491 0.000 1.058 180 L CA -1.944 52.658 54.840 -0.398 0.000 0.803 180 L CB 0.244 41.954 42.059 -0.581 0.000 1.212 180 L HN 0.083 nan 8.230 nan 0.000 0.451 181 P HA -0.142 nan 4.420 nan 0.000 0.219 181 P C -0.385 176.745 177.300 -0.284 0.000 1.146 181 P CA 1.323 64.194 63.100 -0.382 0.000 0.808 181 P CB -0.078 31.462 31.700 -0.268 0.000 0.779 182 F N -0.567 119.373 119.950 -0.016 0.000 2.538 182 F HA 0.741 5.268 4.527 -0.000 0.000 0.325 182 F C -2.745 173.034 175.800 -0.037 0.000 1.066 182 F CA -4.405 53.575 58.000 -0.033 0.000 0.946 182 F CB -0.663 38.312 39.000 -0.042 0.000 1.199 182 F HN -0.336 nan 8.300 nan 0.000 0.473 183 P HA 0.166 nan 4.420 nan 0.000 0.268 183 P C -0.624 176.772 177.300 0.161 0.000 1.204 183 P CA 0.075 63.228 63.100 0.090 0.000 0.768 183 P CB 1.780 33.467 31.700 -0.022 0.000 0.842 187 K N 1.469 121.952 120.400 0.139 0.000 2.533 187 K HA 0.907 5.227 4.320 -0.000 0.000 0.272 187 K C -0.919 175.758 176.600 0.129 0.000 0.985 187 K CA -0.876 55.479 56.287 0.114 0.000 0.876 187 K CB 3.182 35.739 32.500 0.095 0.000 1.452 187 K HN 0.592 nan 8.250 nan 0.000 0.439 188 E N 0.131 120.390 120.200 0.099 0.000 2.446 188 E HA 0.328 4.678 4.350 -0.000 0.000 0.251 188 E C -0.327 176.314 176.600 0.068 0.000 1.087 188 E CA -0.628 55.833 56.400 0.102 0.000 0.937 188 E CB 1.692 31.453 29.700 0.103 0.000 1.254 188 E HN 0.511 nan 8.360 nan 0.000 0.479 189 V N -1.208 118.749 119.914 0.070 0.000 3.006 189 V HA 0.641 4.761 4.120 -0.000 0.000 0.357 189 V C 0.705 176.919 176.094 0.199 0.000 1.377 189 V CA 0.257 62.551 62.300 -0.011 0.000 1.198 189 V CB -0.182 31.479 31.823 -0.270 0.000 1.216 189 V HN 0.907 nan 8.190 nan 0.000 0.520 190 G N 0.617 109.554 108.800 0.227 0.000 2.205 190 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.180 190 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.180 190 G C 0.238 175.241 174.900 0.172 0.000 1.004 190 G CA 0.314 45.566 45.100 0.254 0.000 0.670 190 G HN 0.643 nan 8.290 nan 0.000 0.496 191 H N 0.275 119.472 119.070 0.212 0.000 2.705 191 H HA 0.498 5.054 4.556 -0.000 0.000 0.269 191 H C 1.473 176.858 175.328 0.096 0.000 0.998 191 H CA 1.341 57.509 56.048 0.200 0.000 1.193 191 H CB 0.958 30.827 29.762 0.179 0.000 1.485 191 H HN 1.399 nan 8.280 nan 0.000 0.521 192 G N 0.417 109.308 108.800 0.151 0.000 2.733 192 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.686 192 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.686 192 G C -0.942 174.000 174.900 0.070 0.000 1.373 192 G CA -0.682 44.466 45.100 0.080 0.000 0.838 192 G HN 0.196 nan 8.290 nan 0.000 0.588 193 L N 1.679 122.931 121.223 0.047 0.000 2.287 193 L HA 0.588 4.928 4.340 -0.000 0.000 0.287 193 L C 1.265 178.152 176.870 0.027 0.000 1.022 193 L CA -0.428 54.435 54.840 0.038 0.000 0.814 193 L CB 1.686 43.768 42.059 0.040 0.000 1.217 193 L HN 0.989 nan 8.230 nan 0.000 0.420 194 S N 2.851 118.565 115.700 0.024 0.000 2.641 194 S HA 0.214 4.684 4.470 -0.000 0.000 0.261 194 S C 1.175 175.785 174.600 0.015 0.000 1.257 194 S CA -0.443 57.767 58.200 0.018 0.000 0.983 194 S CB 0.985 64.195 63.200 0.016 0.000 0.990 194 S HN 0.813 nan 8.310 nan 0.000 0.572 195 R N 0.803 121.311 120.500 0.012 0.000 2.092 195 R HA -0.094 4.246 4.340 -0.000 0.000 0.231 195 R C 1.606 177.913 176.300 0.012 0.000 1.119 195 R CA 1.560 57.667 56.100 0.010 0.000 0.970 195 R CB -0.664 29.641 30.300 0.008 0.000 0.864 195 R HN 0.799 nan 8.270 nan 0.000 0.440 196 E N 1.441 121.648 120.200 0.011 0.000 2.150 196 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 196 E C 2.026 178.634 176.600 0.013 0.000 0.985 196 E CA 1.251 57.657 56.400 0.011 0.000 0.814 196 E CB -0.360 29.346 29.700 0.010 0.000 0.752 196 E HN 0.514 nan 8.360 nan 0.000 0.466 197 A N 2.034 124.862 122.820 0.014 0.000 1.933 197 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 197 A C 2.506 180.103 177.584 0.022 0.000 1.175 197 A CA 2.044 54.092 52.037 0.017 0.000 0.628 197 A CB -0.622 18.389 19.000 0.019 0.000 0.814 197 A HN 0.340 nan 8.150 nan 0.000 0.444 198 A N -0.412 122.420 122.820 0.021 0.000 1.969 198 A HA 0.047 4.367 4.320 -0.000 0.000 0.218 198 A C 2.118 179.715 177.584 0.021 0.000 1.169 198 A CA 1.285 53.336 52.037 0.023 0.000 0.635 198 A CB -0.501 18.510 19.000 0.018 0.000 0.810 198 A HN 0.472 nan 8.150 nan 0.000 0.445 199 L N -0.848 120.385 121.223 0.017 0.000 2.056 199 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 199 L C 2.925 179.804 176.870 0.016 0.000 1.078 199 L CA 1.015 55.865 54.840 0.016 0.000 0.749 199 L CB -0.459 41.608 42.059 0.013 0.000 0.901 199 L HN 0.411 nan 8.230 nan 0.000 0.433 200 A N -0.640 122.189 122.820 0.016 0.000 2.216 200 A HA -0.038 4.282 4.320 -0.000 0.000 0.214 200 A C 2.052 179.646 177.584 0.018 0.000 1.160 200 A CA 1.067 53.114 52.037 0.016 0.000 0.725 200 A CB -0.334 18.675 19.000 0.016 0.000 0.784 200 A HN 0.436 nan 8.150 nan 0.000 0.472 201 L N -2.382 118.855 121.223 0.023 0.000 2.672 201 L HA 0.170 4.510 4.340 -0.000 0.000 0.236 201 L C 2.263 179.150 176.870 0.028 0.000 1.092 201 L CA 0.113 54.969 54.840 0.027 0.000 0.887 201 L CB -0.198 41.884 42.059 0.038 0.000 1.168 201 L HN 0.386 nan 8.230 nan 0.000 0.502 202 R N 0.833 121.348 120.500 0.026 0.000 2.185 202 R HA -0.216 4.124 4.340 -0.000 0.000 0.247 202 R C 1.241 177.556 176.300 0.026 0.000 1.159 202 R CA 1.881 57.997 56.100 0.028 0.000 0.988 202 R CB 0.071 30.385 30.300 0.024 0.000 0.871 202 R HN 0.308 nan 8.270 nan 0.000 0.458 203 D N -0.322 120.090 120.400 0.020 0.000 2.240 203 D HA 0.009 4.649 4.640 -0.000 0.000 0.206 203 D C -0.007 176.303 176.300 0.016 0.000 0.963 203 D CA 0.370 54.380 54.000 0.016 0.000 0.863 203 D CB 0.058 40.864 40.800 0.011 0.000 0.973 203 D HN 0.036 nan 8.370 nan 0.000 0.501 204 L N 2.623 123.856 121.223 0.017 0.000 2.453 204 L HA 0.147 4.487 4.340 -0.000 0.000 0.272 204 L C -1.800 175.085 176.870 0.025 0.000 1.182 204 L CA -0.931 53.920 54.840 0.018 0.000 0.858 204 L CB -0.328 41.743 42.059 0.019 0.000 1.120 204 L HN -0.084 nan 8.230 nan 0.000 0.474 205 P HA 0.153 nan 4.420 nan 0.000 0.231 205 P C -0.514 176.807 177.300 0.033 0.000 1.811 205 P CA -0.122 62.991 63.100 0.022 0.000 1.051 205 P CB -0.010 31.695 31.700 0.009 0.000 1.951 206 L N 1.290 122.542 121.223 0.047 0.000 2.439 206 L HA 0.356 4.696 4.340 -0.000 0.000 0.261 206 L C 1.837 178.738 176.870 0.051 0.000 1.153 206 L CA -0.558 54.319 54.840 0.063 0.000 0.808 206 L CB 0.661 42.767 42.059 0.077 0.000 1.126 206 L HN 0.112 nan 8.230 nan 0.000 0.460 207 A N 1.732 124.579 122.820 0.046 0.000 1.975 207 A HA 0.540 4.860 4.320 -0.000 0.000 0.215 207 A C 0.752 178.358 177.584 0.036 0.000 1.170 207 A CA 1.111 53.154 52.037 0.009 0.000 0.656 207 A CB -0.021 18.954 19.000 -0.041 0.000 0.821 207 A HN 0.831 nan 8.150 nan 0.000 0.449 208 A N -2.608 120.264 122.820 0.086 0.000 2.490 208 A HA 0.559 4.879 4.320 -0.000 0.000 0.292 208 A C -1.541 176.132 177.584 0.147 0.000 1.047 208 A CA -0.147 51.987 52.037 0.161 0.000 0.632 208 A CB 0.255 19.449 19.000 0.324 0.000 1.323 208 A HN 0.651 nan 8.150 nan 0.000 0.448 209 V N 0.728 120.728 119.914 0.143 0.000 2.925 209 V HA 0.631 4.751 4.120 -0.000 0.000 0.311 209 V C -1.454 174.693 176.094 0.087 0.000 1.104 209 V CA -0.386 61.978 62.300 0.107 0.000 0.954 209 V CB 2.158 34.028 31.823 0.079 0.000 1.022 209 V HN 0.949 nan 8.190 nan 0.000 0.427 210 D N 1.757 122.202 120.400 0.074 0.000 2.453 210 D HA 0.375 5.015 4.640 -0.000 0.000 0.238 210 D C 0.767 177.092 176.300 0.041 0.000 1.088 210 D CA -0.291 53.735 54.000 0.044 0.000 0.854 210 D CB 1.940 42.765 40.800 0.042 0.000 1.076 210 D HN 0.355 nan 8.370 nan 0.000 0.533 211 V N 2.513 122.443 119.914 0.026 0.000 2.626 211 V HA 0.084 4.204 4.120 -0.000 0.000 0.252 211 V C 1.374 177.489 176.094 0.034 0.000 1.067 211 V CA 0.730 63.047 62.300 0.027 0.000 1.081 211 V CB -1.426 30.403 31.823 0.010 0.000 0.686 211 V HN 0.808 nan 8.190 nan 0.000 0.468 212 A N 0.740 123.578 122.820 0.029 0.000 2.049 212 A HA -0.006 4.314 4.320 -0.000 0.000 0.263 212 A C 0.932 178.548 177.584 0.053 0.000 1.316 212 A CA 0.762 52.825 52.037 0.044 0.000 0.759 212 A CB -1.944 17.091 19.000 0.059 0.000 1.141 212 A HN 1.585 nan 8.150 nan 0.000 0.325 213 G N -0.357 108.452 108.800 0.015 0.000 2.588 213 G HA2 0.738 4.698 3.960 -0.000 0.000 0.281 213 G HA3 0.738 4.698 3.960 -0.000 0.000 0.281 213 G C 0.490 175.345 174.900 -0.075 0.000 1.236 213 G CA 0.030 45.120 45.100 -0.017 0.000 0.969 213 G HN 1.991 nan 8.290 nan 0.000 0.504 214 A N -1.909 120.788 122.820 -0.205 0.000 2.332 214 A HA 0.639 4.959 4.320 -0.000 0.000 0.258 214 A C 1.267 178.473 177.584 -0.631 0.000 1.087 214 A CA 0.904 52.579 52.037 -0.604 0.000 0.802 214 A CB 0.437 18.954 19.000 -0.805 0.000 1.042 214 A HN 2.342 nan 8.150 nan 0.000 0.489 215 G N -0.434 107.806 108.800 -0.933 0.000 2.545 215 G HA2 0.080 4.040 3.960 -0.000 0.000 0.195 215 G HA3 0.080 4.040 3.960 -0.000 0.000 0.195 215 G C 0.837 175.676 174.900 -0.100 0.000 1.009 215 G CA 0.563 45.417 45.100 -0.410 0.000 0.703 215 G HN 1.651 nan 8.290 nan 0.000 0.479 216 G N -0.197 108.614 108.800 0.018 0.000 3.387 216 G HA2 0.483 4.442 3.960 -0.000 0.000 0.195 216 G HA3 0.483 4.442 3.960 -0.000 0.000 0.195 216 G C 0.567 175.672 174.900 0.342 0.000 1.853 216 G CA 1.115 46.277 45.100 0.103 0.000 0.879 216 G HN 1.166 nan 8.290 nan 0.000 0.651 217 T N -0.612 114.120 114.554 0.296 0.000 2.832 217 T HA 0.430 4.780 4.350 -0.000 0.000 0.296 217 T C 0.038 174.722 174.700 -0.027 0.000 0.968 217 T CA 0.110 62.256 62.100 0.077 0.000 1.107 217 T CB 0.924 69.790 68.868 -0.004 0.000 0.916 217 T HN 0.496 nan 8.240 nan 0.000 0.517 218 S N 4.346 119.787 115.700 -0.432 0.000 2.404 218 S HA 0.246 4.716 4.470 -0.000 0.000 0.309 218 S C 0.557 174.996 174.600 -0.269 0.000 1.076 218 S CA -0.861 56.918 58.200 -0.702 0.000 1.095 218 S CB -0.040 62.381 63.200 -1.298 0.000 0.972 218 S HN 0.898 nan 8.310 nan 0.000 0.484 219 W N 3.700 125.071 121.300 0.118 0.000 2.611 219 W HA 0.102 4.762 4.660 -0.000 0.000 0.251 219 W C 2.248 178.862 176.519 0.159 0.000 1.265 219 W CA 0.654 58.097 57.345 0.164 0.000 1.295 219 W CB -0.169 29.405 29.460 0.191 0.000 1.129 219 W HN 0.904 nan 8.180 nan 0.000 0.630 220 A N 0.135 123.169 122.820 0.357 0.000 1.929 220 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 220 A C 2.028 179.684 177.584 0.120 0.000 1.176 220 A CA 1.135 53.294 52.037 0.204 0.000 0.628 220 A CB -0.421 18.712 19.000 0.222 0.000 0.816 220 A HN 0.249 nan 8.150 nan 0.000 0.444 221 R N -0.604 119.907 120.500 0.019 0.000 2.062 221 R HA -0.053 4.287 4.340 -0.000 0.000 0.229 221 R C 2.024 178.323 176.300 -0.001 0.000 1.128 221 R CA 1.384 57.487 56.100 0.004 0.000 0.960 221 R CB -0.575 29.662 30.300 -0.105 0.000 0.855 221 R HN 0.359 nan 8.270 nan 0.000 0.432 222 V N 1.277 121.073 119.914 -0.196 0.000 2.392 222 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 222 V C 2.140 178.151 176.094 -0.137 0.000 1.059 222 V CA 1.933 64.036 62.300 -0.328 0.000 1.051 222 V CB -0.442 30.850 31.823 -0.884 0.000 0.658 222 V HN 0.261 nan 8.190 nan 0.000 0.455 223 E N 0.219 120.414 120.200 -0.008 0.000 2.047 223 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 223 E C 2.295 178.927 176.600 0.054 0.000 0.987 223 E CA 1.339 57.766 56.400 0.044 0.000 0.799 223 E CB -0.212 29.586 29.700 0.164 0.000 0.752 223 E HN 0.615 nan 8.360 nan 0.000 0.449 224 E N -0.655 119.635 120.200 0.150 0.000 2.106 224 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 224 E C 1.797 178.538 176.600 0.234 0.000 0.984 224 E CA 0.580 57.138 56.400 0.263 0.000 0.806 224 E CB -0.343 29.578 29.700 0.369 0.000 0.750 224 E HN 0.455 nan 8.360 nan 0.000 0.458 225 W N 1.372 122.682 121.300 0.015 0.000 2.374 225 W HA -0.152 4.508 4.660 0.000 0.000 0.288 225 W C 1.659 178.133 176.519 -0.074 0.000 1.218 225 W CA 1.005 58.340 57.345 -0.018 0.000 1.245 225 W CB 0.065 29.475 29.460 -0.084 0.000 1.126 225 W HN -0.117 nan 8.180 nan 0.000 0.545 226 V N 0.927 120.898 119.914 0.094 0.000 2.667 226 V HA -0.191 3.929 4.120 -0.000 0.000 0.252 226 V C 2.313 178.323 176.094 -0.140 0.000 1.065 226 V CA 1.657 63.938 62.300 -0.032 0.000 1.083 226 V CB -0.590 31.122 31.823 -0.185 0.000 0.692 226 V HN 0.074 nan 8.190 nan 0.000 0.468 227 R N -1.156 119.181 120.500 -0.271 0.000 2.140 227 R HA 0.145 4.485 4.340 -0.000 0.000 0.213 227 R C 1.575 177.425 176.300 -0.749 0.000 1.059 227 R CA 1.082 56.828 56.100 -0.589 0.000 1.000 227 R CB 0.033 29.777 30.300 -0.927 0.000 0.910 227 R HN 0.544 nan 8.270 nan 0.000 0.455 228 F N -1.735 118.138 119.950 -0.128 0.000 2.767 228 F HA 0.369 4.896 4.527 -0.000 0.000 0.323 228 F C 1.253 176.854 175.800 -0.331 0.000 1.091 228 F CA 0.107 57.996 58.000 -0.185 0.000 1.192 228 F CB 1.051 39.950 39.000 -0.169 0.000 1.056 228 F HN 0.074 nan 8.300 nan 0.000 0.571 229 G N 1.504 110.089 108.800 -0.358 0.000 2.143 229 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.248 229 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.248 229 G C -0.133 173.985 174.900 -1.305 0.000 0.991 229 G CA 0.462 45.106 45.100 -0.760 0.000 0.689 229 G HN 0.543 nan 8.290 nan 0.000 0.522 230 E N -2.334 117.278 120.200 -0.980 0.000 2.389 230 E HA 0.449 4.799 4.350 -0.000 0.000 0.281 230 E C -1.005 175.465 176.600 -0.217 0.000 1.072 230 E CA -1.198 54.730 56.400 -0.787 0.000 0.845 230 E CB 1.037 30.451 29.700 -0.476 0.000 1.239 230 E HN 0.377 nan 8.360 nan 0.000 0.434 231 V N 2.872 122.763 119.914 -0.037 0.000 2.372 231 V HA 0.176 4.296 4.120 -0.000 0.000 0.261 231 V C 1.219 177.244 176.094 -0.115 0.000 1.055 231 V CA -0.174 62.155 62.300 0.049 0.000 0.930 231 V CB 0.240 32.142 31.823 0.131 0.000 1.031 231 V HN 0.650 nan 8.190 nan 0.000 0.479 232 R N 2.238 122.573 120.500 -0.274 0.000 2.161 232 R HA 0.084 4.424 4.340 -0.000 0.000 0.213 232 R C 0.194 176.116 176.300 -0.630 0.000 1.055 232 R CA 0.664 56.419 56.100 -0.575 0.000 0.996 232 R CB 0.170 29.842 30.300 -1.048 0.000 0.901 232 R HN 0.722 nan 8.270 nan 0.000 0.456 233 H N 0.671 119.689 119.070 -0.087 0.000 2.340 233 H HA 0.175 4.731 4.556 -0.000 0.000 0.233 233 H C -1.828 173.504 175.328 0.007 0.000 1.435 233 H CA -1.900 54.127 56.048 -0.034 0.000 1.389 233 H CB 1.074 30.829 29.762 -0.012 0.000 1.491 233 H HN 0.051 nan 8.280 nan 0.000 0.518 234 P HA -0.257 nan 4.420 nan 0.000 0.214 234 P C 1.540 178.893 177.300 0.089 0.000 1.169 234 P CA 1.334 64.472 63.100 0.064 0.000 0.908 234 P CB 0.661 32.381 31.700 0.034 0.000 0.791 235 E N -0.683 119.569 120.200 0.086 0.000 2.118 235 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 235 E C 2.146 178.811 176.600 0.108 0.000 0.992 235 E CA 0.496 56.950 56.400 0.091 0.000 0.804 235 E CB -0.459 29.284 29.700 0.072 0.000 0.741 235 E HN 0.012 nan 8.360 nan 0.000 0.458 236 L N 0.672 121.965 121.223 0.116 0.000 2.083 236 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 236 L C 1.902 178.850 176.870 0.131 0.000 1.083 236 L CA 1.494 56.398 54.840 0.106 0.000 0.752 236 L CB -0.782 41.330 42.059 0.089 0.000 0.899 236 L HN 0.409 nan 8.230 nan 0.000 0.433 237 C N 0.002 119.388 119.300 0.143 0.000 2.562 237 C HA 0.065 4.525 4.460 -0.000 0.000 0.266 237 C C 2.060 177.154 174.990 0.173 0.000 1.382 237 C CA -0.324 58.789 59.018 0.158 0.000 1.742 237 C CB -0.643 27.156 27.740 0.099 0.000 1.812 237 C HN 0.465 nan 8.230 nan 0.000 0.559 238 E N 0.872 121.195 120.200 0.205 0.000 2.479 238 E HA 0.221 4.571 4.350 -0.000 0.000 0.193 238 E C 0.498 177.312 176.600 0.356 0.000 1.049 238 E CA 0.049 56.647 56.400 0.329 0.000 0.870 238 E CB 0.089 29.930 29.700 0.236 0.000 0.944 238 E HN 0.661 nan 8.360 nan 0.000 0.492 239 I N 1.458 122.207 120.570 0.299 0.000 2.683 239 I HA 0.111 4.281 4.170 -0.000 0.000 0.286 239 I C 0.941 177.261 176.117 0.339 0.000 1.175 239 I CA 0.652 62.102 61.300 0.250 0.000 1.429 239 I CB 0.398 38.508 38.000 0.183 0.000 1.371 239 I HN 0.003 nan 8.210 nan 0.000 0.569 240 G N 5.909 114.825 108.800 0.194 0.000 2.320 240 G HA2 0.343 4.303 3.960 -0.000 0.000 0.297 240 G HA3 0.343 4.303 3.960 -0.000 0.000 0.297 240 G C -1.769 173.158 174.900 0.045 0.000 1.344 240 G CA -0.890 44.306 45.100 0.162 0.000 0.851 240 G HN 0.264 nan 8.290 nan 0.000 0.567 241 I N 1.934 122.519 120.570 0.025 0.000 2.330 241 I HA 0.400 4.570 4.170 -0.000 0.000 0.289 241 I C -2.075 174.005 176.117 -0.061 0.000 1.001 241 I CA -2.287 59.008 61.300 -0.009 0.000 1.193 241 I CB 1.825 39.831 38.000 0.011 0.000 1.345 241 I HN 0.096 nan 8.210 nan 0.000 0.461 242 P HA 0.035 nan 4.420 nan 0.000 0.264 242 P C 0.867 178.122 177.300 -0.075 0.000 1.183 242 P CA 0.247 63.275 63.100 -0.121 0.000 0.763 242 P CB 0.412 32.062 31.700 -0.084 0.000 0.807 243 T N 2.417 116.914 114.554 -0.095 0.000 2.680 243 T HA -0.301 4.049 4.350 -0.000 0.000 0.268 243 T C 1.731 176.408 174.700 -0.039 0.000 1.033 243 T CA 2.259 64.322 62.100 -0.061 0.000 1.152 243 T CB -0.626 68.198 68.868 -0.074 0.000 0.859 243 T HN 0.493 nan 8.240 nan 0.000 0.452 244 A N 1.661 124.470 122.820 -0.018 0.000 1.877 244 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 244 A C 2.421 180.011 177.584 0.010 0.000 1.186 244 A CA 1.206 53.244 52.037 0.002 0.000 0.620 244 A CB -0.401 18.681 19.000 0.137 0.000 0.822 244 A HN 0.203 nan 8.150 nan 0.000 0.443 245 R N -0.359 120.162 120.500 0.034 0.000 2.081 245 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 245 R C 2.432 178.735 176.300 0.006 0.000 1.131 245 R CA 1.471 57.590 56.100 0.031 0.000 0.960 245 R CB -1.208 29.106 30.300 0.024 0.000 0.856 245 R HN 0.538 nan 8.270 nan 0.000 0.436 246 A N 1.047 123.863 122.820 -0.006 0.000 1.902 246 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 246 A C 2.334 179.910 177.584 -0.013 0.000 1.181 246 A CA 1.216 53.249 52.037 -0.006 0.000 0.623 246 A CB -0.497 18.500 19.000 -0.005 0.000 0.818 246 A HN 0.206 nan 8.150 nan 0.000 0.443 247 I N -0.320 120.233 120.570 -0.029 0.000 2.099 247 I HA -0.298 3.872 4.170 -0.000 0.000 0.239 247 I C 2.475 178.566 176.117 -0.043 0.000 1.066 247 I CA 1.431 62.706 61.300 -0.042 0.000 1.324 247 I CB -0.502 37.455 38.000 -0.071 0.000 1.037 247 I HN 0.308 nan 8.210 nan 0.000 0.401 248 L N 0.272 121.466 121.223 -0.048 0.000 1.990 248 L HA -0.258 4.082 4.340 -0.000 0.000 0.213 248 L C 2.595 179.454 176.870 -0.019 0.000 1.072 248 L CA 1.676 56.494 54.840 -0.037 0.000 0.755 248 L CB -0.726 41.322 42.059 -0.018 0.000 0.889 248 L HN 0.285 nan 8.230 nan 0.000 0.432 249 E N -0.398 119.798 120.200 -0.007 0.000 2.051 249 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 249 E C 2.269 178.867 176.600 -0.004 0.000 0.991 249 E CA 1.492 57.891 56.400 -0.001 0.000 0.799 249 E CB -0.078 29.625 29.700 0.005 0.000 0.748 249 E HN 0.260 nan 8.360 nan 0.000 0.449 250 V N 1.008 120.920 119.914 -0.004 0.000 2.270 250 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 250 V C 2.396 178.484 176.094 -0.010 0.000 1.043 250 V CA 2.005 64.305 62.300 -0.001 0.000 1.014 250 V CB -0.480 31.346 31.823 0.006 0.000 0.645 250 V HN 0.157 nan 8.190 nan 0.000 0.447 251 R N 1.061 121.549 120.500 -0.022 0.000 2.096 251 R HA -0.267 4.073 4.340 -0.000 0.000 0.240 251 R C 2.212 178.485 176.300 -0.045 0.000 1.139 251 R CA 2.363 58.440 56.100 -0.038 0.000 0.952 251 R CB -0.701 29.571 30.300 -0.047 0.000 0.854 251 R HN 0.597 nan 8.270 nan 0.000 0.436 252 E N -0.372 119.808 120.200 -0.034 0.000 2.136 252 E HA -0.182 4.168 4.350 -0.000 0.000 0.202 252 E C 1.644 178.228 176.600 -0.026 0.000 1.019 252 E CA 2.347 58.730 56.400 -0.029 0.000 0.819 252 E CB -0.319 29.372 29.700 -0.015 0.000 0.739 252 E HN 0.279 nan 8.360 nan 0.000 0.458 253 V N -0.033 119.871 119.914 -0.017 0.000 2.599 253 V HA 0.017 4.137 4.120 -0.000 0.000 0.245 253 V C 1.264 177.354 176.094 -0.007 0.000 1.046 253 V CA 1.096 63.392 62.300 -0.007 0.000 1.065 253 V CB -0.252 31.573 31.823 0.003 0.000 0.703 253 V HN 0.232 nan 8.190 nan 0.000 0.464 254 L N 2.129 123.344 121.223 -0.013 0.000 2.599 254 L HA 0.311 4.651 4.340 -0.000 0.000 0.241 254 L C -1.462 175.376 176.870 -0.053 0.000 1.207 254 L CA -1.177 53.660 54.840 -0.005 0.000 0.987 254 L CB 0.785 42.856 42.059 0.020 0.000 1.318 254 L HN 0.133 nan 8.230 nan 0.000 0.458 255 P HA -0.181 nan 4.420 nan 0.000 0.222 255 P C 0.608 177.609 177.300 -0.498 0.000 1.142 255 P CA 1.652 64.555 63.100 -0.329 0.000 0.788 255 P CB 0.277 31.719 31.700 -0.431 0.000 0.767 256 H N -2.488 116.595 119.070 0.023 0.000 3.091 256 H HA 0.213 4.769 4.556 -0.000 0.000 0.249 256 H C 0.712 176.063 175.328 0.038 0.000 0.985 256 H CA -0.742 55.322 56.048 0.028 0.000 1.177 256 H CB -0.196 29.580 29.762 0.024 0.000 1.456 256 H HN -0.028 nan 8.280 nan 0.000 0.467 257 L N 5.133 126.435 121.223 0.132 0.000 2.540 257 L HA 0.134 4.474 4.340 -0.000 0.000 0.276 257 L C -2.256 174.678 176.870 0.107 0.000 1.212 257 L CA -2.082 52.824 54.840 0.111 0.000 0.893 257 L CB 0.250 42.361 42.059 0.087 0.000 1.138 257 L HN -0.033 nan 8.230 nan 0.000 0.491 258 P HA 0.071 nan 4.420 nan 0.000 0.267 258 P C -1.044 176.339 177.300 0.137 0.000 1.205 258 P CA 0.148 63.343 63.100 0.159 0.000 0.765 258 P CB 0.485 32.351 31.700 0.276 0.000 0.828 259 L N 3.495 124.758 121.223 0.066 0.000 2.334 259 L HA 0.472 4.812 4.340 -0.000 0.000 0.276 259 L C 0.116 176.970 176.870 -0.028 0.000 1.014 259 L CA -1.250 53.608 54.840 0.030 0.000 0.815 259 L CB 2.168 44.233 42.059 0.009 0.000 1.268 259 L HN 0.101 nan 8.230 nan 0.000 0.428 260 V N 2.236 122.130 119.914 -0.033 0.000 2.417 260 V HA 0.521 4.641 4.120 -0.000 0.000 0.291 260 V C 0.267 176.325 176.094 -0.059 0.000 1.024 260 V CA -0.580 61.664 62.300 -0.094 0.000 0.861 260 V CB 1.621 33.376 31.823 -0.113 0.000 0.985 260 V HN 0.847 nan 8.190 nan 0.000 0.436 261 A N 4.473 127.253 122.820 -0.066 0.000 2.260 261 A HA 0.822 5.142 4.320 -0.000 0.000 0.308 261 A C 0.191 177.752 177.584 -0.039 0.000 1.254 261 A CA -0.116 51.896 52.037 -0.041 0.000 0.874 261 A CB 0.599 19.580 19.000 -0.033 0.000 1.153 261 A HN 1.149 nan 8.150 nan 0.000 0.527 262 S N 1.156 116.843 115.700 -0.023 0.000 2.550 262 S HA 0.819 5.289 4.470 -0.000 0.000 0.270 262 S C -0.263 174.346 174.600 0.015 0.000 1.145 262 S CA -0.062 58.135 58.200 -0.005 0.000 0.852 262 S CB 1.361 64.549 63.200 -0.020 0.000 1.119 262 S HN 2.516 nan 8.310 nan 0.000 0.465 263 G N -0.005 108.821 108.800 0.043 0.000 2.602 263 G HA2 0.464 4.423 3.960 -0.000 0.000 0.291 263 G HA3 0.464 4.423 3.960 -0.000 0.000 0.291 263 G C 0.907 175.739 174.900 -0.113 0.000 0.988 263 G CA 0.282 45.399 45.100 0.029 0.000 1.295 263 G HN 2.494 nan 8.290 nan 0.000 0.630 264 G N -1.535 107.099 108.800 -0.277 0.000 2.137 264 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.237 264 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.237 264 G C 0.508 174.976 174.900 -0.720 0.000 1.002 264 G CA 0.427 44.922 45.100 -1.009 0.000 0.702 264 G HN 1.814 nan 8.290 nan 0.000 0.515 265 V N 1.537 121.324 119.914 -0.211 0.000 2.224 265 V HA 0.247 4.367 4.120 -0.000 0.000 0.289 265 V C 1.116 177.475 176.094 0.443 0.000 1.518 265 V CA -0.534 61.810 62.300 0.074 0.000 1.533 265 V CB -0.817 31.088 31.823 0.137 0.000 1.460 265 V HN 0.336 nan 8.190 nan 0.000 0.515 266 Y N 1.018 121.499 120.300 0.302 0.000 2.529 266 Y HA 0.164 4.714 4.550 -0.000 0.000 0.290 266 Y C 1.502 177.648 175.900 0.410 0.000 1.177 266 Y CA -0.262 58.112 58.100 0.457 0.000 1.305 266 Y CB -0.659 38.001 38.460 0.335 0.000 1.047 266 Y HN 0.618 nan 8.280 nan 0.000 0.522 267 T N -5.321 109.377 114.554 0.240 0.000 2.883 267 T HA 0.577 4.927 4.350 -0.000 0.000 0.296 267 T C 1.308 175.574 174.700 -0.722 0.000 1.117 267 T CA -0.351 61.615 62.100 -0.222 0.000 1.006 267 T CB 1.539 70.343 68.868 -0.106 0.000 1.191 267 T HN 0.034 nan 8.240 nan 0.000 0.508 268 G N 0.724 108.983 108.800 -0.901 0.000 2.421 268 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.216 268 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.216 268 G C 1.333 176.052 174.900 -0.302 0.000 1.171 268 G CA 1.396 46.053 45.100 -0.737 0.000 0.775 268 G HN 0.833 nan 8.290 nan 0.000 0.543 269 T N 0.983 115.414 114.554 -0.206 0.000 2.759 269 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 269 T C 1.923 176.585 174.700 -0.065 0.000 1.042 269 T CA 1.522 63.563 62.100 -0.097 0.000 1.140 269 T CB -0.235 68.588 68.868 -0.074 0.000 0.864 269 T HN 0.148 nan 8.240 nan 0.000 0.455 270 D N 0.701 121.057 120.400 -0.073 0.000 2.149 270 D HA 0.028 4.668 4.640 -0.000 0.000 0.201 270 D C 2.403 178.707 176.300 0.005 0.000 0.972 270 D CA 0.992 54.981 54.000 -0.019 0.000 0.835 270 D CB -0.685 40.118 40.800 0.004 0.000 0.966 270 D HN 0.472 nan 8.370 nan 0.000 0.476 271 G N 0.825 109.631 108.800 0.010 0.000 2.418 271 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 271 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 271 G C 1.724 176.654 174.900 0.050 0.000 1.158 271 G CA 1.203 46.365 45.100 0.104 0.000 0.771 271 G HN 0.372 nan 8.290 nan 0.000 0.545 272 A N 0.967 123.796 122.820 0.015 0.000 1.883 272 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 272 A C 2.309 179.888 177.584 -0.009 0.000 1.186 272 A CA 2.084 54.129 52.037 0.012 0.000 0.624 272 A CB -0.416 18.588 19.000 0.007 0.000 0.822 272 A HN 0.386 nan 8.150 nan 0.000 0.444 273 K N -0.422 119.967 120.400 -0.019 0.000 2.057 273 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 273 K C 2.354 178.898 176.600 -0.093 0.000 1.049 273 K CA 1.129 57.385 56.287 -0.052 0.000 0.931 273 K CB -0.377 32.107 32.500 -0.027 0.000 0.714 273 K HN 0.456 nan 8.250 nan 0.000 0.440 274 A N 1.672 124.459 122.820 -0.054 0.000 1.883 274 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 274 A C 2.171 179.717 177.584 -0.063 0.000 1.186 274 A CA 1.449 53.450 52.037 -0.060 0.000 0.624 274 A CB -0.768 18.225 19.000 -0.011 0.000 0.822 274 A HN 0.159 nan 8.150 nan 0.000 0.444 275 L N -0.836 120.369 121.223 -0.032 0.000 1.994 275 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 275 L C 3.127 179.967 176.870 -0.049 0.000 1.071 275 L CA 1.185 56.009 54.840 -0.027 0.000 0.745 275 L CB -0.784 41.276 42.059 0.002 0.000 0.892 275 L HN 0.427 nan 8.230 nan 0.000 0.431 276 A N 0.250 123.035 122.820 -0.057 0.000 1.958 276 A HA -0.208 4.112 4.320 -0.000 0.000 0.221 276 A C 2.201 179.716 177.584 -0.116 0.000 1.178 276 A CA 1.738 53.731 52.037 -0.073 0.000 0.642 276 A CB -0.863 18.094 19.000 -0.072 0.000 0.816 276 A HN 0.438 nan 8.150 nan 0.000 0.453 277 L N -2.057 119.063 121.223 -0.173 0.000 2.552 277 L HA 0.146 4.486 4.340 -0.000 0.000 0.227 277 L C 1.626 178.415 176.870 -0.135 0.000 1.146 277 L CA 0.670 55.378 54.840 -0.221 0.000 0.858 277 L CB -0.195 41.662 42.059 -0.337 0.000 0.969 277 L HN 0.641 nan 8.230 nan 0.000 0.451 278 G N -0.837 107.906 108.800 -0.093 0.000 2.200 278 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.145 278 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.145 278 G C 0.139 175.010 174.900 -0.048 0.000 1.021 278 G CA -0.206 44.855 45.100 -0.065 0.000 0.720 278 G HN 0.352 nan 8.290 nan 0.000 0.494 279 A N -0.146 122.644 122.820 -0.050 0.000 2.271 279 A HA 0.730 5.050 4.320 -0.000 0.000 0.288 279 A C 0.776 178.343 177.584 -0.029 0.000 1.094 279 A CA 0.386 52.399 52.037 -0.039 0.000 0.828 279 A CB 0.751 19.725 19.000 -0.044 0.000 1.091 279 A HN 0.048 nan 8.150 nan 0.000 0.493 280 D N -0.864 119.514 120.400 -0.037 0.000 2.482 280 D HA 0.193 4.833 4.640 -0.000 0.000 0.251 280 D C -0.214 176.035 176.300 -0.085 0.000 1.073 280 D CA 0.595 54.574 54.000 -0.035 0.000 0.892 280 D CB 0.412 41.208 40.800 -0.006 0.000 1.202 280 D HN 0.215 nan 8.370 nan 0.000 0.496 281 L N 1.449 122.582 121.223 -0.150 0.000 2.371 281 L HA 0.406 4.746 4.340 -0.000 0.000 0.262 281 L C -0.771 176.003 176.870 -0.160 0.000 1.006 281 L CA -0.679 54.029 54.840 -0.221 0.000 0.818 281 L CB 2.493 44.249 42.059 -0.505 0.000 1.354 281 L HN -0.172 nan 8.230 nan 0.000 0.415 282 L N 1.434 122.572 121.223 -0.143 0.000 2.334 282 L HA 0.839 5.179 4.340 -0.000 0.000 0.273 282 L C 0.127 176.765 176.870 -0.387 0.000 1.013 282 L CA -0.635 54.125 54.840 -0.132 0.000 0.816 282 L CB 1.457 43.556 42.059 0.067 0.000 1.278 282 L HN 0.749 nan 8.230 nan 0.000 0.431 283 A N 2.564 125.178 122.820 -0.343 0.000 2.398 283 A HA 0.810 5.130 4.320 -0.000 0.000 0.301 283 A C -1.245 176.152 177.584 -0.311 0.000 1.041 283 A CA -0.463 51.295 52.037 -0.465 0.000 0.711 283 A CB 1.733 20.570 19.000 -0.271 0.000 1.240 283 A HN 0.357 nan 8.150 nan 0.000 0.420 284 V N 1.692 121.357 119.914 -0.415 0.000 2.540 284 V HA 0.715 4.835 4.120 -0.000 0.000 0.302 284 V C 0.701 176.698 176.094 -0.162 0.000 1.035 284 V CA 0.330 62.541 62.300 -0.150 0.000 0.873 284 V CB 1.129 32.892 31.823 -0.099 0.000 0.992 284 V HN 1.315 nan 8.190 nan 0.000 0.428 285 A N 4.276 127.048 122.820 -0.081 0.000 2.113 285 A HA 0.304 4.624 4.320 -0.000 0.000 0.211 285 A C 1.852 179.343 177.584 -0.155 0.000 2.359 285 A CA 0.528 52.512 52.037 -0.089 0.000 1.274 285 A CB -0.393 18.617 19.000 0.016 0.000 1.160 285 A HN 0.705 nan 8.150 nan 0.000 0.585 286 R N 0.338 120.782 120.500 -0.094 0.000 2.134 286 R HA -0.160 4.180 4.340 -0.000 0.000 0.248 286 R C -1.026 175.086 176.300 -0.314 0.000 1.143 286 R CA 2.545 58.548 56.100 -0.161 0.000 0.957 286 R CB -1.332 28.900 30.300 -0.113 0.000 0.867 286 R HN 0.357 nan 8.270 nan 0.000 0.441 287 P HA -0.162 nan 4.420 nan 0.000 0.220 287 P C 0.556 177.429 177.300 -0.711 0.000 1.144 287 P CA 0.969 63.727 63.100 -0.571 0.000 0.800 287 P CB 0.099 31.400 31.700 -0.665 0.000 0.772 288 L N -2.002 118.819 121.223 -0.670 0.000 2.529 288 L HA 0.070 4.410 4.340 -0.000 0.000 0.223 288 L C 1.946 178.629 176.870 -0.312 0.000 1.113 288 L CA 0.700 55.184 54.840 -0.594 0.000 0.861 288 L CB -1.560 40.221 42.059 -0.464 0.000 1.012 288 L HN 0.055 nan 8.230 nan 0.000 0.461 289 L N 0.588 121.665 121.223 -0.243 0.000 2.042 289 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 289 L C 2.754 179.553 176.870 -0.118 0.000 1.076 289 L CA 1.869 56.622 54.840 -0.145 0.000 0.749 289 L CB -0.544 41.446 42.059 -0.115 0.000 0.893 289 L HN 0.201 nan 8.230 nan 0.000 0.432 290 R N -0.159 120.264 120.500 -0.128 0.000 2.062 290 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 290 R C -0.524 175.739 176.300 -0.062 0.000 1.128 290 R CA 1.422 57.474 56.100 -0.080 0.000 0.960 290 R CB -1.252 29.012 30.300 -0.061 0.000 0.855 290 R HN 0.364 nan 8.270 nan 0.000 0.432 291 P HA -0.112 nan 4.420 nan 0.000 0.219 291 P C 0.718 177.993 177.300 -0.040 0.000 1.146 291 P CA 1.706 64.786 63.100 -0.034 0.000 0.808 291 P CB 0.002 31.690 31.700 -0.021 0.000 0.779 292 A N 0.146 122.923 122.820 -0.071 0.000 1.969 292 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 292 A C 2.335 179.899 177.584 -0.034 0.000 1.169 292 A CA 0.966 52.972 52.037 -0.052 0.000 0.635 292 A CB -1.406 17.554 19.000 -0.066 0.000 0.810 292 A HN 0.138 nan 8.150 nan 0.000 0.445 293 L N -0.757 120.446 121.223 -0.034 0.000 2.291 293 L HA -0.101 4.239 4.340 -0.000 0.000 0.214 293 L C 2.053 178.916 176.870 -0.013 0.000 1.120 293 L CA 1.048 55.875 54.840 -0.022 0.000 0.799 293 L CB -0.419 41.626 42.059 -0.023 0.000 0.925 293 L HN 0.505 nan 8.230 nan 0.000 0.446 294 E N -0.231 119.963 120.200 -0.010 0.000 2.400 294 E HA 0.217 4.567 4.350 -0.000 0.000 0.195 294 E C 0.741 177.342 176.600 0.001 0.000 1.012 294 E CA 0.370 56.769 56.400 -0.001 0.000 0.875 294 E CB 0.488 30.192 29.700 0.006 0.000 0.859 294 E HN 0.419 nan 8.360 nan 0.000 0.498 295 G N 0.227 109.026 108.800 -0.003 0.000 2.428 295 G HA2 0.039 3.999 3.960 -0.000 0.000 0.681 295 G HA3 0.039 3.999 3.960 -0.000 0.000 0.681 295 G C 0.401 175.303 174.900 0.003 0.000 1.340 295 G CA -0.534 44.566 45.100 -0.000 0.000 0.915 295 G HN 0.076 nan 8.290 nan 0.000 0.645 296 A N -0.052 122.769 122.820 0.002 0.000 1.927 296 A HA -0.087 4.232 4.320 -0.000 0.000 0.220 296 A C 2.143 179.735 177.584 0.012 0.000 1.185 296 A CA 2.560 54.600 52.037 0.005 0.000 0.639 296 A CB -0.435 18.567 19.000 0.003 0.000 0.820 296 A HN 1.077 nan 8.150 nan 0.000 0.451 297 E N -0.094 120.113 120.200 0.013 0.000 2.058 297 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 297 E C 2.229 178.847 176.600 0.030 0.000 0.997 297 E CA 1.762 58.172 56.400 0.017 0.000 0.801 297 E CB -0.228 29.480 29.700 0.013 0.000 0.746 297 E HN 0.424 nan 8.360 nan 0.000 0.450 298 R N 0.454 120.974 120.500 0.033 0.000 2.073 298 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 298 R C 2.467 178.819 176.300 0.087 0.000 1.134 298 R CA 1.514 57.648 56.100 0.056 0.000 0.952 298 R CB -0.905 29.421 30.300 0.043 0.000 0.850 298 R HN 0.116 nan 8.270 nan 0.000 0.433 299 V N 0.710 120.656 119.914 0.054 0.000 2.343 299 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 299 V C 2.343 178.491 176.094 0.089 0.000 1.051 299 V CA 1.967 64.299 62.300 0.053 0.000 1.036 299 V CB -0.986 30.837 31.823 0.000 0.000 0.654 299 V HN 0.521 nan 8.190 nan 0.000 0.451 300 A N -0.130 122.721 122.820 0.052 0.000 1.933 300 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 300 A C 2.414 180.027 177.584 0.048 0.000 1.175 300 A CA 1.982 54.039 52.037 0.033 0.000 0.628 300 A CB -0.676 18.332 19.000 0.015 0.000 0.814 300 A HN 0.565 nan 8.150 nan 0.000 0.444 301 A N -1.404 121.458 122.820 0.069 0.000 1.877 301 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 301 A C 1.986 179.618 177.584 0.081 0.000 1.186 301 A CA 1.452 53.523 52.037 0.056 0.000 0.620 301 A CB -0.947 18.086 19.000 0.055 0.000 0.822 301 A HN 0.803 nan 8.150 nan 0.000 0.443 302 W N 0.622 121.903 121.300 -0.032 0.000 2.329 302 W HA -0.227 4.433 4.660 -0.000 0.000 0.324 302 W C 1.961 178.456 176.519 -0.039 0.000 1.222 302 W CA 2.340 59.675 57.345 -0.017 0.000 1.270 302 W CB -0.288 29.163 29.460 -0.015 0.000 1.167 302 W HN 0.305 nan 8.180 nan 0.000 0.467 303 I N 0.556 121.364 120.570 0.396 0.000 2.264 303 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 303 I C 2.609 178.662 176.117 -0.107 0.000 1.111 303 I CA 1.472 62.800 61.300 0.046 0.000 1.382 303 I CB -1.381 36.471 38.000 -0.247 0.000 1.060 303 I HN 0.234 nan 8.210 nan 0.000 0.418 304 G N 0.591 109.358 108.800 -0.055 0.000 2.446 304 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.217 304 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.217 304 G C 1.279 176.139 174.900 -0.066 0.000 1.168 304 G CA 1.386 46.448 45.100 -0.063 0.000 0.771 304 G HN 0.380 nan 8.290 nan 0.000 0.551 305 D N -1.272 119.070 120.400 -0.096 0.000 2.144 305 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 305 D C 1.968 178.185 176.300 -0.138 0.000 0.984 305 D CA 0.744 54.660 54.000 -0.139 0.000 0.834 305 D CB -0.242 40.430 40.800 -0.214 0.000 0.955 305 D HN 0.437 nan 8.370 nan 0.000 0.465 306 Y N 0.356 120.463 120.300 -0.322 0.000 2.145 306 Y HA -0.105 4.445 4.550 -0.000 0.000 0.286 306 Y C 1.871 177.699 175.900 -0.119 0.000 1.145 306 Y CA 1.313 59.256 58.100 -0.262 0.000 1.148 306 Y CB 0.001 38.322 38.460 -0.232 0.000 0.981 306 Y HN -0.007 nan 8.280 nan 0.000 0.507 307 L N 0.067 121.400 121.223 0.183 0.000 2.156 307 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 307 L C 2.449 179.339 176.870 0.034 0.000 1.095 307 L CA 1.361 56.277 54.840 0.128 0.000 0.770 307 L CB -0.531 41.546 42.059 0.029 0.000 0.914 307 L HN 0.300 nan 8.230 nan 0.000 0.439 308 E N 0.958 121.150 120.200 -0.014 0.000 2.110 308 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 308 E C 1.947 178.522 176.600 -0.042 0.000 0.988 308 E CA 1.627 58.005 56.400 -0.036 0.000 0.804 308 E CB 0.189 29.855 29.700 -0.055 0.000 0.745 308 E HN 0.699 nan 8.360 nan 0.000 0.458 309 E N 0.245 120.403 120.200 -0.071 0.000 2.170 309 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 309 E C 2.277 178.839 176.600 -0.062 0.000 0.981 309 E CA 0.398 56.747 56.400 -0.085 0.000 0.830 309 E CB -0.387 29.224 29.700 -0.148 0.000 0.775 309 E HN 0.189 nan 8.360 nan 0.000 0.470 310 L N 1.958 123.145 121.223 -0.059 0.000 2.042 310 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 310 L C 2.610 179.505 176.870 0.041 0.000 1.076 310 L CA 1.969 56.806 54.840 -0.004 0.000 0.749 310 L CB -0.529 41.584 42.059 0.092 0.000 0.893 310 L HN 0.100 nan 8.230 nan 0.000 0.432 311 R N -1.138 119.388 120.500 0.043 0.000 2.070 311 R HA -0.167 4.173 4.340 -0.000 0.000 0.233 311 R C 2.071 178.429 176.300 0.097 0.000 1.137 311 R CA 2.194 58.328 56.100 0.057 0.000 0.945 311 R CB -0.638 29.674 30.300 0.021 0.000 0.845 311 R HN 0.424 nan 8.270 nan 0.000 0.430 312 T N 0.764 115.361 114.554 0.072 0.000 2.759 312 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 312 T C 1.773 176.593 174.700 0.200 0.000 1.042 312 T CA 1.401 63.589 62.100 0.147 0.000 1.140 312 T CB -0.319 68.594 68.868 0.074 0.000 0.864 312 T HN 0.507 nan 8.240 nan 0.000 0.455 313 A N 1.289 124.170 122.820 0.102 0.000 1.858 313 A HA 0.016 4.336 4.320 -0.000 0.000 0.216 313 A C 2.308 179.951 177.584 0.098 0.000 1.190 313 A CA 1.210 53.294 52.037 0.078 0.000 0.617 313 A CB -0.907 18.107 19.000 0.023 0.000 0.827 313 A HN 0.470 nan 8.150 nan 0.000 0.443 314 L N -1.785 119.498 121.223 0.101 0.000 2.079 314 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 314 L C 2.498 179.443 176.870 0.125 0.000 1.081 314 L CA 1.669 56.565 54.840 0.094 0.000 0.752 314 L CB -0.573 41.542 42.059 0.093 0.000 0.896 314 L HN 0.539 nan 8.230 nan 0.000 0.433 315 F N 1.042 121.009 119.950 0.027 0.000 2.102 315 F HA -0.237 4.290 4.527 0.000 0.000 0.298 315 F C 2.409 178.236 175.800 0.045 0.000 1.105 315 F CA 1.386 59.403 58.000 0.029 0.000 1.239 315 F CB -0.422 38.595 39.000 0.028 0.000 0.991 315 F HN -0.014 nan 8.300 nan 0.000 0.474 316 A N 0.336 123.095 122.820 -0.101 0.000 2.015 316 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 316 A C 2.167 179.705 177.584 -0.076 0.000 1.163 316 A CA 1.418 53.394 52.037 -0.102 0.000 0.646 316 A CB -0.961 18.162 19.000 0.205 0.000 0.806 316 A HN 0.423 nan 8.150 nan 0.000 0.448 317 I N -1.109 119.441 120.570 -0.033 0.000 2.546 317 I HA -0.023 4.147 4.170 -0.000 0.000 0.255 317 I C 1.860 177.923 176.117 -0.090 0.000 1.163 317 I CA 1.658 62.940 61.300 -0.030 0.000 1.457 317 I CB -1.217 36.787 38.000 0.007 0.000 1.092 317 I HN 0.555 nan 8.210 nan 0.000 0.434 318 G N 0.643 109.368 108.800 -0.124 0.000 2.138 318 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.193 318 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.193 318 G C 0.365 175.237 174.900 -0.046 0.000 0.998 318 G CA 0.085 45.112 45.100 -0.122 0.000 0.668 318 G HN 0.678 nan 8.290 nan 0.000 0.516 319 A N -0.505 122.310 122.820 -0.010 0.000 2.292 319 A HA 0.857 5.177 4.320 -0.000 0.000 0.319 319 A C 0.944 178.559 177.584 0.052 0.000 1.206 319 A CA -0.249 51.800 52.037 0.020 0.000 0.835 319 A CB 0.861 19.875 19.000 0.023 0.000 1.164 319 A HN 0.231 nan 8.150 nan 0.000 0.505 320 R N 0.567 121.096 120.500 0.048 0.000 2.276 320 R HA 0.105 4.445 4.340 -0.000 0.000 0.196 320 R C -0.370 175.964 176.300 0.058 0.000 0.961 320 R CA 1.095 57.232 56.100 0.061 0.000 1.024 320 R CB -0.035 30.294 30.300 0.048 0.000 0.940 320 R HN 0.967 nan 8.270 nan 0.000 0.480 321 N N -4.404 114.326 118.700 0.050 0.000 2.961 321 N HA 0.203 4.943 4.740 -0.000 0.000 0.245 321 N C -2.725 172.813 175.510 0.046 0.000 1.404 321 N CA -1.492 51.588 53.050 0.050 0.000 0.880 321 N CB 1.012 39.526 38.487 0.045 0.000 1.461 321 N HN -0.399 nan 8.380 nan 0.000 0.510 322 P HA -0.232 nan 4.420 nan 0.000 0.218 322 P C 0.732 178.051 177.300 0.031 0.000 1.147 322 P CA 1.431 64.557 63.100 0.042 0.000 0.827 322 P CB 0.208 31.935 31.700 0.045 0.000 0.778 323 K N -0.158 120.262 120.400 0.033 0.000 2.031 323 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 323 K C 1.744 178.356 176.600 0.020 0.000 1.049 323 K CA 1.241 57.544 56.287 0.027 0.000 0.939 323 K CB -0.578 31.942 32.500 0.033 0.000 0.717 323 K HN 0.360 nan 8.250 nan 0.000 0.438 324 E N 0.673 120.885 120.200 0.021 0.000 2.515 324 E HA -0.069 4.281 4.350 -0.000 0.000 0.201 324 E C 1.597 178.202 176.600 0.008 0.000 1.071 324 E CA 0.375 56.784 56.400 0.014 0.000 0.880 324 E CB 0.010 29.719 29.700 0.016 0.000 0.828 324 E HN 0.232 nan 8.360 nan 0.000 0.540 325 A N 1.752 124.578 122.820 0.010 0.000 1.970 325 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 325 A C 1.515 179.093 177.584 -0.010 0.000 1.170 325 A CA 0.088 52.127 52.037 0.003 0.000 0.645 325 A CB -0.189 18.817 19.000 0.009 0.000 0.816 325 A HN 0.047 nan 8.150 nan 0.000 0.447 326 R N 0.068 120.562 120.500 -0.011 0.000 2.481 326 R HA 0.220 4.560 4.340 -0.000 0.000 0.291 326 R C 1.225 177.511 176.300 -0.023 0.000 0.934 326 R CA 1.209 57.296 56.100 -0.022 0.000 1.116 326 R CB -0.719 29.573 30.300 -0.014 0.000 0.895 326 R HN 1.040 nan 8.270 nan 0.000 0.410 327 G N 4.326 113.105 108.800 -0.035 0.000 2.234 327 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.260 327 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.260 327 G C 0.440 175.329 174.900 -0.017 0.000 0.987 327 G CA 0.442 45.526 45.100 -0.027 0.000 0.625 327 G HN 0.639 nan 8.290 nan 0.000 0.532 328 R N 0.124 120.614 120.500 -0.017 0.000 3.385 328 R HA 0.428 4.768 4.340 -0.000 0.000 0.236 328 R C 0.038 176.341 176.300 0.004 0.000 1.663 328 R CA 0.664 56.760 56.100 -0.007 0.000 1.444 328 R CB 0.082 30.377 30.300 -0.008 0.000 1.218 328 R HN 0.447 nan 8.270 nan 0.000 0.575 329 V N 0.372 120.290 119.914 0.007 0.000 3.147 329 V HA 0.335 4.455 4.120 -0.000 0.000 0.306 329 V C -1.364 174.781 176.094 0.084 0.000 1.209 329 V CA -0.860 61.461 62.300 0.036 0.000 1.023 329 V CB 2.725 34.540 31.823 -0.013 0.000 1.059 329 V HN 0.484 nan 8.190 nan 0.000 0.435 330 E N 4.091 124.383 120.200 0.152 0.000 2.393 330 E HA 0.548 4.898 4.350 -0.000 0.000 0.273 330 E C -1.019 175.736 176.600 0.258 0.000 0.918 330 E CA -1.105 55.401 56.400 0.177 0.000 0.773 330 E CB 2.238 31.993 29.700 0.091 0.000 1.275 330 E HN 0.683 nan 8.360 nan 0.000 0.451 331 R N 1.817 122.426 120.500 0.182 0.000 2.389 331 R HA 0.266 4.606 4.340 -0.000 0.000 0.295 331 R C -0.224 176.015 176.300 -0.101 0.000 1.075 331 R CA -0.403 55.652 56.100 -0.076 0.000 1.005 331 R CB 0.837 31.055 30.300 -0.137 0.000 0.987 331 R HN 0.464 nan 8.270 nan 0.000 0.452 332 V N 0.000 119.811 119.914 -0.172 0.000 2.409 332 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 332 V CA 0.000 62.236 62.300 -0.106 0.000 1.235 332 V CB 0.000 31.758 31.823 -0.108 0.000 1.184 332 V HN 0.000 nan 8.190 nan 0.000 0.556