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 3fxq_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLKLQTLQAL ICIEEVGSLR AAAQLLHLSQ PALSAAIQQL EDELKAPLLV DATA SEQUENCE RTKRGVSLTS FGQAFMKHAR LIVTESRRAQ EEIGQLRGRW EGHITFAASP DATA SEQUENCE AIALAALPLA LASFAREFPD VTVNVRDGMY PAVSPQLRDG TLDFALTAAH DATA SEQUENCE KHDIDTDLEA QPLYVSDVVI VGQRQHPMAN ATRLAELQEC RWAFSSAPRG DATA SEQUENCE PGAIIRNAFA RYGLPEPKLG LVCESFLALP GVVAHSDLLT TMPRTLYERN DATA SEQUENCE AFKDQLCSIP LQDALPNPTI YVLRRHDLPV TPAAAGLIRW IQHHAL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.313 176.300 0.022 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 L N 2.211 123.449 121.223 0.024 0.000 2.540 2 L HA 0.012 4.351 4.340 -0.001 0.000 0.276 2 L C 0.912 177.803 176.870 0.035 0.000 1.212 2 L CA 0.122 54.979 54.840 0.028 0.000 0.893 2 L CB 0.177 42.252 42.059 0.027 0.000 1.138 2 L HN 0.757 nan 8.230 nan 0.000 0.491 3 K N 2.268 122.692 120.400 0.039 0.000 2.103 3 K HA -0.213 4.107 4.320 -0.001 0.000 0.207 3 K C 1.748 178.385 176.600 0.061 0.000 1.048 3 K CA 1.143 57.463 56.287 0.056 0.000 0.930 3 K CB -0.092 32.445 32.500 0.062 0.000 0.716 3 K HN 0.439 nan 8.250 nan 0.000 0.444 4 L N 1.575 122.826 121.223 0.048 0.000 2.083 4 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 4 L C 2.227 179.124 176.870 0.044 0.000 1.083 4 L CA 1.634 56.500 54.840 0.044 0.000 0.752 4 L CB -0.267 41.812 42.059 0.033 0.000 0.899 4 L HN 0.189 nan 8.230 nan 0.000 0.433 5 Q N -1.536 118.289 119.800 0.041 0.000 2.084 5 Q HA -0.196 4.143 4.340 -0.001 0.000 0.202 5 Q C 1.952 177.979 176.000 0.044 0.000 0.978 5 Q CA 2.236 58.062 55.803 0.039 0.000 0.844 5 Q CB -0.082 28.677 28.738 0.035 0.000 0.898 5 Q HN 0.526 nan 8.270 nan 0.000 0.426 6 T N 1.207 115.792 114.554 0.051 0.000 2.746 6 T HA -0.102 4.247 4.350 -0.001 0.000 0.267 6 T C 1.819 176.569 174.700 0.084 0.000 1.039 6 T CA 0.845 62.980 62.100 0.059 0.000 1.142 6 T CB -0.146 68.756 68.868 0.057 0.000 0.866 6 T HN 0.195 nan 8.240 nan 0.000 0.444 7 L N 0.645 121.928 121.223 0.099 0.000 2.027 7 L HA -0.127 4.212 4.340 -0.001 0.000 0.206 7 L C 2.900 179.816 176.870 0.077 0.000 1.074 7 L CA 1.429 56.339 54.840 0.118 0.000 0.745 7 L CB -0.673 41.444 42.059 0.097 0.000 0.898 7 L HN 0.304 nan 8.230 nan 0.000 0.433 8 Q N -0.118 119.715 119.800 0.054 0.000 2.135 8 Q HA -0.200 4.139 4.340 -0.001 0.000 0.204 8 Q C 2.423 178.445 176.000 0.037 0.000 0.981 8 Q CA 1.702 57.528 55.803 0.038 0.000 0.856 8 Q CB -0.272 28.485 28.738 0.031 0.000 0.902 8 Q HN 0.557 nan 8.270 nan 0.000 0.425 9 A N 0.680 123.524 122.820 0.040 0.000 1.902 9 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 9 A C 2.047 179.655 177.584 0.041 0.000 1.181 9 A CA 1.036 53.093 52.037 0.033 0.000 0.623 9 A CB -0.633 18.386 19.000 0.031 0.000 0.818 9 A HN 0.296 nan 8.150 nan 0.000 0.443 10 L N -0.504 120.758 121.223 0.064 0.000 2.046 10 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 10 L C 2.476 179.387 176.870 0.068 0.000 1.077 10 L CA 1.264 56.152 54.840 0.080 0.000 0.747 10 L CB -0.471 41.671 42.059 0.138 0.000 0.896 10 L HN 0.398 nan 8.230 nan 0.000 0.432 11 I N -1.071 119.534 120.570 0.059 0.000 2.208 11 I HA -0.406 3.763 4.170 -0.001 0.000 0.245 11 I C 2.799 178.932 176.117 0.028 0.000 1.097 11 I CA 1.314 62.638 61.300 0.040 0.000 1.363 11 I CB -0.464 37.553 38.000 0.028 0.000 1.051 11 I HN 0.445 nan 8.210 nan 0.000 0.413 12 C N 1.103 120.417 119.300 0.023 0.000 2.440 12 C HA -0.103 4.357 4.460 -0.001 0.000 0.278 12 C C 2.743 177.741 174.990 0.013 0.000 1.295 12 C CA 0.557 59.582 59.018 0.012 0.000 1.738 12 C CB -0.894 26.848 27.740 0.004 0.000 1.987 12 C HN 0.391 nan 8.230 nan 0.000 0.492 13 I N 0.687 121.270 120.570 0.021 0.000 2.226 13 I HA -0.202 3.968 4.170 -0.001 0.000 0.245 13 I C 2.629 178.759 176.117 0.022 0.000 1.100 13 I CA 2.126 63.438 61.300 0.021 0.000 1.374 13 I CB -0.722 37.294 38.000 0.027 0.000 1.057 13 I HN 0.498 nan 8.210 nan 0.000 0.413 14 E N 1.124 121.341 120.200 0.028 0.000 2.118 14 E HA -0.310 4.040 4.350 -0.001 0.000 0.195 14 E C 2.079 178.689 176.600 0.016 0.000 0.992 14 E CA 1.619 58.035 56.400 0.026 0.000 0.804 14 E CB 0.001 29.719 29.700 0.031 0.000 0.741 14 E HN 0.546 nan 8.360 nan 0.000 0.458 15 E N -0.002 120.205 120.200 0.013 0.000 2.051 15 E HA -0.127 4.223 4.350 -0.001 0.000 0.189 15 E C 2.055 178.657 176.600 0.005 0.000 0.979 15 E CA 1.448 57.852 56.400 0.007 0.000 0.803 15 E CB 0.265 29.968 29.700 0.005 0.000 0.761 15 E HN 0.288 nan 8.360 nan 0.000 0.451 16 V N -3.166 116.750 119.914 0.004 0.000 3.644 16 V HA 0.430 4.550 4.120 -0.001 0.000 0.267 16 V C 1.302 177.398 176.094 0.003 0.000 1.277 16 V CA 0.616 62.916 62.300 0.001 0.000 1.096 16 V CB 0.201 32.022 31.823 -0.004 0.000 0.828 16 V HN 0.365 nan 8.190 nan 0.000 0.446 17 G N 0.254 109.058 108.800 0.006 0.000 2.147 17 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.244 17 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.244 17 G C 0.166 175.070 174.900 0.007 0.000 1.005 17 G CA 0.618 45.722 45.100 0.008 0.000 0.713 17 G HN 1.587 nan 8.290 nan 0.000 0.515 18 S N -1.422 114.282 115.700 0.006 0.000 2.592 18 S HA 0.532 5.002 4.470 -0.001 0.000 0.275 18 S C 0.817 175.420 174.600 0.005 0.000 1.169 18 S CA 0.209 58.412 58.200 0.005 0.000 0.958 18 S CB 1.375 64.576 63.200 0.001 0.000 1.095 18 S HN 1.011 nan 8.310 nan 0.000 0.471 19 L N 5.329 126.556 121.223 0.006 0.000 2.056 19 L HA 0.045 4.385 4.340 -0.001 0.000 0.207 19 L C 2.515 179.387 176.870 0.003 0.000 1.078 19 L CA 1.309 56.153 54.840 0.007 0.000 0.749 19 L CB -0.204 41.859 42.059 0.007 0.000 0.901 19 L HN 0.772 nan 8.230 nan 0.000 0.433 20 R N -0.242 120.259 120.500 0.002 0.000 2.081 20 R HA -0.135 4.205 4.340 -0.001 0.000 0.235 20 R C 2.322 178.619 176.300 -0.005 0.000 1.131 20 R CA 1.320 57.420 56.100 0.000 0.000 0.960 20 R CB -0.613 29.688 30.300 0.002 0.000 0.856 20 R HN 0.502 nan 8.270 nan 0.000 0.436 21 A N 1.303 124.119 122.820 -0.006 0.000 1.930 21 A HA -0.071 4.248 4.320 -0.001 0.000 0.217 21 A C 2.374 179.945 177.584 -0.022 0.000 1.175 21 A CA 1.574 53.603 52.037 -0.014 0.000 0.627 21 A CB -0.562 18.431 19.000 -0.010 0.000 0.815 21 A HN 0.392 nan 8.150 nan 0.000 0.443 22 A N -0.052 122.759 122.820 -0.015 0.000 1.898 22 A HA 0.180 4.499 4.320 -0.001 0.000 0.216 22 A C 2.510 180.079 177.584 -0.026 0.000 1.181 22 A CA 2.004 54.030 52.037 -0.018 0.000 0.620 22 A CB -1.043 17.955 19.000 -0.004 0.000 0.819 22 A HN 1.044 nan 8.150 nan 0.000 0.442 23 A N -1.091 121.720 122.820 -0.015 0.000 1.883 23 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 23 A C 2.145 179.710 177.584 -0.032 0.000 1.186 23 A CA 1.805 53.835 52.037 -0.012 0.000 0.624 23 A CB -0.518 18.483 19.000 0.002 0.000 0.822 23 A HN 0.491 nan 8.150 nan 0.000 0.444 24 Q N -0.714 119.064 119.800 -0.038 0.000 2.084 24 Q HA -0.131 4.209 4.340 -0.001 0.000 0.202 24 Q C 2.205 178.107 176.000 -0.164 0.000 0.978 24 Q CA 1.534 57.304 55.803 -0.055 0.000 0.844 24 Q CB -0.578 28.141 28.738 -0.032 0.000 0.898 24 Q HN 0.746 nan 8.270 nan 0.000 0.426 25 L N 0.046 121.175 121.223 -0.155 0.000 2.046 25 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 25 L C 1.839 178.511 176.870 -0.330 0.000 1.077 25 L CA 0.974 55.686 54.840 -0.212 0.000 0.747 25 L CB -0.057 41.937 42.059 -0.108 0.000 0.896 25 L HN 0.153 nan 8.230 nan 0.000 0.432 26 L N -1.090 120.011 121.223 -0.204 0.000 2.591 26 L HA 0.030 4.370 4.340 -0.001 0.000 0.228 26 L C 0.163 176.993 176.870 -0.066 0.000 1.133 26 L CA 0.023 54.785 54.840 -0.130 0.000 0.880 26 L CB -0.633 41.405 42.059 -0.035 0.000 1.033 26 L HN 0.381 nan 8.230 nan 0.000 0.450 27 H N -1.047 118.029 119.070 0.010 0.000 2.756 27 H HA -0.145 4.410 4.556 -0.001 0.000 0.315 27 H C -0.379 174.955 175.328 0.010 0.000 1.210 27 H CA -0.054 55.999 56.048 0.009 0.000 1.150 27 H CB -1.814 27.953 29.762 0.009 0.000 1.463 27 H HN 0.254 nan 8.280 nan 0.000 0.427 28 L N -0.246 121.023 121.223 0.077 0.000 2.330 28 L HA 0.396 4.735 4.340 -0.001 0.000 0.271 28 L C 0.752 177.648 176.870 0.043 0.000 1.013 28 L CA -0.870 54.003 54.840 0.055 0.000 0.816 28 L CB 1.803 43.882 42.059 0.034 0.000 1.287 28 L HN 0.220 nan 8.230 nan 0.000 0.435 29 S N 0.782 116.504 115.700 0.036 0.000 2.525 29 S HA 0.019 4.489 4.470 -0.001 0.000 0.285 29 S C 0.900 175.512 174.600 0.019 0.000 1.283 29 S CA -0.146 58.070 58.200 0.027 0.000 1.072 29 S CB 0.695 63.908 63.200 0.022 0.000 0.867 29 S HN 0.707 nan 8.310 nan 0.000 0.492 30 Q N 4.985 124.795 119.800 0.016 0.000 2.030 30 Q HA -0.081 4.258 4.340 -0.001 0.000 0.204 30 Q C -0.546 175.459 176.000 0.009 0.000 0.986 30 Q CA 1.716 57.526 55.803 0.011 0.000 0.843 30 Q CB -0.919 27.824 28.738 0.010 0.000 0.904 30 Q HN 0.678 nan 8.270 nan 0.000 0.420 31 P HA -0.163 nan 4.420 nan 0.000 0.216 31 P C 0.872 178.176 177.300 0.006 0.000 1.150 31 P CA 1.883 64.986 63.100 0.006 0.000 0.837 31 P CB -0.073 31.630 31.700 0.006 0.000 0.786 32 A N 0.107 122.932 122.820 0.009 0.000 1.883 32 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 32 A C 2.248 179.838 177.584 0.010 0.000 1.186 32 A CA 1.791 53.834 52.037 0.010 0.000 0.624 32 A CB -1.670 17.338 19.000 0.014 0.000 0.822 32 A HN 0.200 nan 8.150 nan 0.000 0.444 33 L N -0.221 121.009 121.223 0.012 0.000 2.056 33 L HA -0.079 4.260 4.340 -0.001 0.000 0.207 33 L C 2.568 179.442 176.870 0.007 0.000 1.078 33 L CA 2.560 57.407 54.840 0.012 0.000 0.749 33 L CB -0.832 41.235 42.059 0.013 0.000 0.901 33 L HN 0.357 nan 8.230 nan 0.000 0.433 34 S N -0.636 115.066 115.700 0.004 0.000 2.359 34 S HA -0.222 4.247 4.470 -0.001 0.000 0.224 34 S C 2.166 176.763 174.600 -0.004 0.000 1.035 34 S CA 1.451 59.651 58.200 0.000 0.000 1.018 34 S CB -0.535 62.665 63.200 0.000 0.000 0.876 34 S HN 0.670 nan 8.310 nan 0.000 0.448 35 A N 1.198 124.016 122.820 -0.003 0.000 1.933 35 A HA 0.214 4.534 4.320 -0.001 0.000 0.218 35 A C 2.459 180.037 177.584 -0.009 0.000 1.175 35 A CA 1.854 53.887 52.037 -0.006 0.000 0.628 35 A CB -1.327 17.671 19.000 -0.003 0.000 0.814 35 A HN 0.780 nan 8.150 nan 0.000 0.444 36 A N -0.165 122.653 122.820 -0.004 0.000 1.902 36 A HA -0.061 4.258 4.320 -0.001 0.000 0.217 36 A C 2.112 179.688 177.584 -0.013 0.000 1.181 36 A CA 1.522 53.558 52.037 -0.003 0.000 0.623 36 A CB -0.537 18.467 19.000 0.008 0.000 0.818 36 A HN 0.495 nan 8.150 nan 0.000 0.443 37 I N -0.993 119.569 120.570 -0.014 0.000 2.286 37 I HA -0.239 3.930 4.170 -0.001 0.000 0.245 37 I C 2.718 178.807 176.117 -0.047 0.000 1.104 37 I CA 1.586 62.869 61.300 -0.028 0.000 1.397 37 I CB -0.241 37.749 38.000 -0.016 0.000 1.072 37 I HN 0.410 nan 8.210 nan 0.000 0.417 38 Q N 1.180 120.959 119.800 -0.035 0.000 2.077 38 Q HA -0.308 4.031 4.340 -0.001 0.000 0.206 38 Q C 2.154 178.124 176.000 -0.049 0.000 0.989 38 Q CA 2.019 57.797 55.803 -0.041 0.000 0.853 38 Q CB -0.346 28.375 28.738 -0.028 0.000 0.907 38 Q HN 0.473 nan 8.270 nan 0.000 0.418 39 Q N -0.911 118.865 119.800 -0.040 0.000 2.124 39 Q HA -0.165 4.174 4.340 -0.001 0.000 0.202 39 Q C 1.955 177.921 176.000 -0.057 0.000 0.977 39 Q CA 1.396 57.175 55.803 -0.040 0.000 0.850 39 Q CB -0.184 28.538 28.738 -0.025 0.000 0.901 39 Q HN 0.474 nan 8.270 nan 0.000 0.429 40 L N 1.239 122.420 121.223 -0.069 0.000 2.017 40 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 40 L C 1.810 178.583 176.870 -0.161 0.000 1.073 40 L CA 1.949 56.722 54.840 -0.111 0.000 0.745 40 L CB -0.457 41.527 42.059 -0.125 0.000 0.894 40 L HN 0.217 nan 8.230 nan 0.000 0.432 41 E N -0.482 119.627 120.200 -0.152 0.000 2.085 41 E HA -0.240 4.109 4.350 -0.001 0.000 0.194 41 E C 1.781 178.300 176.600 -0.135 0.000 0.994 41 E CA 1.389 57.693 56.400 -0.160 0.000 0.801 41 E CB -0.235 29.392 29.700 -0.122 0.000 0.743 41 E HN 0.583 nan 8.360 nan 0.000 0.453 42 D N 0.809 121.149 120.400 -0.100 0.000 2.117 42 D HA -0.156 4.484 4.640 -0.001 0.000 0.197 42 D C 1.757 178.008 176.300 -0.083 0.000 0.987 42 D CA 1.071 55.022 54.000 -0.083 0.000 0.829 42 D CB -0.200 40.564 40.800 -0.060 0.000 0.961 42 D HN 0.293 nan 8.370 nan 0.000 0.460 43 E N 0.218 120.370 120.200 -0.081 0.000 2.072 43 E HA -0.068 4.281 4.350 -0.001 0.000 0.191 43 E C 2.225 178.775 176.600 -0.082 0.000 0.985 43 E CA 0.458 56.817 56.400 -0.068 0.000 0.801 43 E CB -0.071 29.597 29.700 -0.054 0.000 0.750 43 E HN 0.253 nan 8.360 nan 0.000 0.452 44 L N 0.451 121.601 121.223 -0.122 0.000 2.478 44 L HA -0.013 4.326 4.340 -0.001 0.000 0.223 44 L C 0.505 177.286 176.870 -0.150 0.000 1.140 44 L CA 0.404 55.162 54.840 -0.137 0.000 0.842 44 L CB -0.236 41.693 42.059 -0.216 0.000 0.953 44 L HN 0.060 nan 8.230 nan 0.000 0.452 45 K N -0.490 119.820 120.400 -0.150 0.000 3.071 45 K HA -0.184 4.135 4.320 -0.001 0.000 0.265 45 K C -0.131 176.310 176.600 -0.266 0.000 1.060 45 K CA 0.418 56.606 56.287 -0.165 0.000 0.767 45 K CB -1.625 30.800 32.500 -0.125 0.000 1.241 45 K HN 0.431 nan 8.250 nan 0.000 0.486 46 A N -0.271 122.362 122.820 -0.311 0.000 2.604 46 A HA 0.643 4.963 4.320 -0.001 0.000 0.295 46 A C -2.926 174.486 177.584 -0.285 0.000 1.067 46 A CA -1.354 50.398 52.037 -0.476 0.000 0.683 46 A CB 1.457 19.868 19.000 -0.981 0.000 1.281 46 A HN -0.098 nan 8.150 nan 0.000 0.407 47 P HA 0.463 nan 4.420 nan 0.000 0.279 47 P C 0.264 177.584 177.300 0.033 0.000 1.239 47 P CA -0.268 62.800 63.100 -0.053 0.000 0.789 47 P CB 0.745 32.449 31.700 0.007 0.000 0.933 48 L N 1.214 122.434 121.223 -0.004 0.000 2.416 48 L HA 0.225 4.564 4.340 -0.001 0.000 0.216 48 L C 0.680 177.588 176.870 0.062 0.000 1.098 48 L CA 0.560 55.419 54.840 0.032 0.000 0.840 48 L CB -0.104 41.924 42.059 -0.052 0.000 0.981 48 L HN 0.270 nan 8.230 nan 0.000 0.462 49 L N -0.381 120.867 121.223 0.042 0.000 2.370 49 L HA 0.603 4.942 4.340 -0.001 0.000 0.266 49 L C -1.051 175.842 176.870 0.039 0.000 1.002 49 L CA -0.631 54.232 54.840 0.038 0.000 0.818 49 L CB 3.072 45.144 42.059 0.022 0.000 1.325 49 L HN -0.353 nan 8.230 nan 0.000 0.418 50 V N 2.298 122.234 119.914 0.035 0.000 2.709 50 V HA 0.555 4.674 4.120 -0.001 0.000 0.308 50 V C -0.553 175.554 176.094 0.021 0.000 1.062 50 V CA -0.627 61.691 62.300 0.030 0.000 0.901 50 V CB 2.250 34.094 31.823 0.035 0.000 1.003 50 V HN 0.808 nan 8.190 nan 0.000 0.425 51 R N 3.629 124.139 120.500 0.016 0.000 2.490 51 R HA 0.640 4.980 4.340 -0.001 0.000 0.280 51 R C 0.009 176.316 176.300 0.011 0.000 1.077 51 R CA 0.776 56.883 56.100 0.012 0.000 1.065 51 R CB 0.987 31.292 30.300 0.009 0.000 1.003 51 R HN 1.030 nan 8.270 nan 0.000 0.470 52 T N -0.087 114.472 114.554 0.009 0.000 2.888 52 T HA 0.457 4.807 4.350 -0.001 0.000 0.288 52 T C 1.061 175.765 174.700 0.006 0.000 1.063 52 T CA -0.333 61.772 62.100 0.008 0.000 1.010 52 T CB 1.441 70.314 68.868 0.007 0.000 1.214 52 T HN 0.484 nan 8.240 nan 0.000 0.533 53 K N -0.187 120.216 120.400 0.005 0.000 2.147 53 K HA 0.077 4.396 4.320 -0.001 0.000 0.205 53 K C 2.779 179.381 176.600 0.004 0.000 1.049 53 K CA 2.071 58.360 56.287 0.004 0.000 0.936 53 K CB -1.738 30.764 32.500 0.003 0.000 0.722 53 K HN 0.870 nan 8.250 nan 0.000 0.446 54 R N -0.244 120.259 120.500 0.004 0.000 2.070 54 R HA 0.291 4.631 4.340 -0.001 0.000 0.233 54 R C 2.373 178.675 176.300 0.004 0.000 1.137 54 R CA 2.541 58.644 56.100 0.004 0.000 0.945 54 R CB -1.055 29.247 30.300 0.004 0.000 0.845 54 R HN 1.110 nan 8.270 nan 0.000 0.430 55 G N -2.292 106.511 108.800 0.006 0.000 2.445 55 G HA2 0.364 4.323 3.960 -0.001 0.000 0.104 55 G HA3 0.364 4.323 3.960 -0.001 0.000 0.104 55 G C -0.465 174.440 174.900 0.008 0.000 0.958 55 G CA 0.622 45.726 45.100 0.006 0.000 1.324 55 G HN 1.359 nan 8.290 nan 0.000 0.549 56 V N -1.438 118.482 119.914 0.010 0.000 3.007 56 V HA 0.943 5.062 4.120 -0.001 0.000 0.311 56 V C -0.520 175.583 176.094 0.016 0.000 1.120 56 V CA -0.424 61.884 62.300 0.013 0.000 0.980 56 V CB 1.440 33.272 31.823 0.015 0.000 1.033 56 V HN 0.838 nan 8.190 nan 0.000 0.429 57 S N 2.191 117.902 115.700 0.019 0.000 2.634 57 S HA 0.768 5.237 4.470 -0.001 0.000 0.296 57 S C -0.513 174.105 174.600 0.030 0.000 1.104 57 S CA -0.822 57.391 58.200 0.021 0.000 0.920 57 S CB 1.680 64.889 63.200 0.016 0.000 1.111 57 S HN 0.799 nan 8.310 nan 0.000 0.493 58 L N 2.369 123.613 121.223 0.035 0.000 2.426 58 L HA 0.273 4.613 4.340 -0.001 0.000 0.271 58 L C 1.245 178.141 176.870 0.043 0.000 1.169 58 L CA -0.428 54.442 54.840 0.051 0.000 0.836 58 L CB 0.377 42.471 42.059 0.059 0.000 1.112 58 L HN 0.794 nan 8.230 nan 0.000 0.465 59 T N -1.652 112.941 114.554 0.066 0.000 2.732 59 T HA 0.061 4.411 4.350 -0.001 0.000 0.287 59 T C 1.355 176.046 174.700 -0.015 0.000 0.993 59 T CA -0.218 61.913 62.100 0.052 0.000 0.966 59 T CB 0.992 69.960 68.868 0.167 0.000 1.047 59 T HN 0.731 nan 8.240 nan 0.000 0.527 60 S N 0.408 116.010 115.700 -0.163 0.000 2.370 60 S HA -0.165 4.305 4.470 -0.001 0.000 0.226 60 S C 1.723 176.172 174.600 -0.251 0.000 1.033 60 S CA 1.111 59.143 58.200 -0.280 0.000 1.011 60 S CB -1.196 61.717 63.200 -0.479 0.000 0.852 60 S HN 0.641 nan 8.310 nan 0.000 0.457 61 F N 2.738 122.716 119.950 0.046 0.000 2.134 61 F HA 0.176 4.703 4.527 -0.000 0.000 0.299 61 F C 2.913 178.779 175.800 0.110 0.000 1.097 61 F CA 0.608 58.647 58.000 0.065 0.000 1.264 61 F CB -1.354 37.662 39.000 0.027 0.000 1.001 61 F HN 0.372 nan 8.300 nan 0.000 0.479 62 G N -0.727 108.221 108.800 0.248 0.000 2.422 62 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.218 62 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.218 62 G C 1.516 176.538 174.900 0.203 0.000 1.146 62 G CA 0.551 45.782 45.100 0.219 0.000 0.769 62 G HN 0.350 nan 8.290 nan 0.000 0.547 63 Q N 0.206 120.076 119.800 0.116 0.000 2.079 63 Q HA 0.054 4.393 4.340 -0.001 0.000 0.200 63 Q C 3.016 179.067 176.000 0.084 0.000 0.974 63 Q CA 1.268 57.115 55.803 0.073 0.000 0.840 63 Q CB -0.262 28.487 28.738 0.019 0.000 0.898 63 Q HN 0.461 nan 8.270 nan 0.000 0.430 64 A N 0.568 123.456 122.820 0.113 0.000 1.877 64 A HA -0.207 4.112 4.320 -0.001 0.000 0.216 64 A C 1.896 179.617 177.584 0.228 0.000 1.186 64 A CA 1.281 53.400 52.037 0.137 0.000 0.620 64 A CB -0.853 18.252 19.000 0.175 0.000 0.822 64 A HN 0.456 nan 8.150 nan 0.000 0.443 65 F N -0.382 119.671 119.950 0.172 0.000 2.171 65 F HA -0.163 4.364 4.527 -0.001 0.000 0.300 65 F C 2.139 178.035 175.800 0.159 0.000 1.090 65 F CA 2.143 60.271 58.000 0.213 0.000 1.293 65 F CB -0.207 38.879 39.000 0.144 0.000 1.013 65 F HN 0.256 nan 8.300 nan 0.000 0.486 66 M N 0.916 120.605 119.600 0.148 0.000 2.213 66 M HA -0.184 4.295 4.480 -0.001 0.000 0.263 66 M C 1.892 178.140 176.300 -0.086 0.000 1.062 66 M CA 1.720 57.037 55.300 0.028 0.000 1.105 66 M CB -0.555 32.091 32.600 0.077 0.000 1.385 66 M HN 0.048 nan 8.290 nan 0.000 0.417 67 K N -1.149 119.179 120.400 -0.120 0.000 2.063 67 K HA -0.187 4.132 4.320 -0.001 0.000 0.208 67 K C 2.004 178.437 176.600 -0.279 0.000 1.048 67 K CA 1.572 57.733 56.287 -0.211 0.000 0.928 67 K CB -0.594 31.739 32.500 -0.278 0.000 0.713 67 K HN 0.535 nan 8.250 nan 0.000 0.442 68 H N 0.290 119.235 119.070 -0.207 0.000 2.357 68 H HA -0.004 4.551 4.556 -0.001 0.000 0.301 68 H C 2.260 177.402 175.328 -0.309 0.000 1.082 68 H CA 1.355 57.245 56.048 -0.263 0.000 1.342 68 H CB -0.243 29.311 29.762 -0.347 0.000 1.389 68 H HN 0.260 nan 8.280 nan 0.000 0.511 69 A N 1.762 124.389 122.820 -0.322 0.000 1.908 69 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 69 A C 2.527 180.052 177.584 -0.098 0.000 1.181 69 A CA 1.630 53.523 52.037 -0.240 0.000 0.627 69 A CB -0.482 18.411 19.000 -0.179 0.000 0.818 69 A HN 0.331 nan 8.150 nan 0.000 0.445 70 R N -0.714 119.736 120.500 -0.084 0.000 2.081 70 R HA -0.013 4.326 4.340 -0.001 0.000 0.235 70 R C 2.086 178.359 176.300 -0.046 0.000 1.131 70 R CA 1.373 57.443 56.100 -0.050 0.000 0.960 70 R CB -0.511 29.761 30.300 -0.046 0.000 0.856 70 R HN 0.513 nan 8.270 nan 0.000 0.436 71 L N 0.340 121.527 121.223 -0.059 0.000 2.046 71 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 71 L C 2.332 179.187 176.870 -0.026 0.000 1.077 71 L CA 1.311 56.127 54.840 -0.040 0.000 0.747 71 L CB -0.340 41.694 42.059 -0.040 0.000 0.896 71 L HN 0.174 nan 8.230 nan 0.000 0.432 72 I N -1.253 119.298 120.570 -0.032 0.000 2.252 72 I HA -0.234 3.935 4.170 -0.001 0.000 0.245 72 I C 2.403 178.514 176.117 -0.010 0.000 1.102 72 I CA 0.849 62.136 61.300 -0.020 0.000 1.385 72 I CB -0.192 37.789 38.000 -0.032 0.000 1.064 72 I HN -0.024 nan 8.210 nan 0.000 0.414 73 V N 0.429 120.336 119.914 -0.011 0.000 2.343 73 V HA -0.283 3.836 4.120 -0.001 0.000 0.247 73 V C 2.503 178.598 176.094 0.001 0.000 1.051 73 V CA 2.468 64.768 62.300 0.000 0.000 1.036 73 V CB -0.886 30.940 31.823 0.004 0.000 0.654 73 V HN 0.465 nan 8.190 nan 0.000 0.451 74 T N -0.635 113.916 114.554 -0.005 0.000 2.746 74 T HA -0.230 4.120 4.350 -0.001 0.000 0.267 74 T C 1.922 176.622 174.700 -0.000 0.000 1.039 74 T CA 1.809 63.907 62.100 -0.003 0.000 1.142 74 T CB -0.208 68.655 68.868 -0.008 0.000 0.866 74 T HN 0.449 nan 8.240 nan 0.000 0.444 75 E N 1.037 121.236 120.200 -0.002 0.000 2.106 75 E HA -0.057 4.292 4.350 -0.001 0.000 0.192 75 E C 2.393 178.995 176.600 0.005 0.000 0.984 75 E CA 1.030 57.431 56.400 0.001 0.000 0.806 75 E CB -0.301 29.398 29.700 -0.001 0.000 0.750 75 E HN 0.338 nan 8.360 nan 0.000 0.458 76 S N -0.095 115.609 115.700 0.006 0.000 2.368 76 S HA -0.140 4.329 4.470 -0.001 0.000 0.224 76 S C 1.910 176.517 174.600 0.012 0.000 1.029 76 S CA 1.197 59.403 58.200 0.010 0.000 0.988 76 S CB -0.259 62.949 63.200 0.013 0.000 0.838 76 S HN 0.272 nan 8.310 nan 0.000 0.462 77 R N 1.238 121.745 120.500 0.012 0.000 2.075 77 R HA 0.027 4.366 4.340 -0.001 0.000 0.232 77 R C 2.402 178.711 176.300 0.014 0.000 1.126 77 R CA 1.055 57.164 56.100 0.014 0.000 0.963 77 R CB -0.107 30.201 30.300 0.013 0.000 0.858 77 R HN 0.261 nan 8.270 nan 0.000 0.435 78 R N 0.013 120.519 120.500 0.010 0.000 2.091 78 R HA -0.107 4.232 4.340 -0.001 0.000 0.238 78 R C 2.363 178.670 176.300 0.011 0.000 1.136 78 R CA 1.503 57.609 56.100 0.010 0.000 0.959 78 R CB -0.373 29.931 30.300 0.007 0.000 0.856 78 R HN 0.286 nan 8.270 nan 0.000 0.437 79 A N 1.033 123.859 122.820 0.010 0.000 1.883 79 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 79 A C 2.078 179.670 177.584 0.015 0.000 1.186 79 A CA 1.248 53.291 52.037 0.010 0.000 0.624 79 A CB -0.382 18.623 19.000 0.008 0.000 0.822 79 A HN 0.244 nan 8.150 nan 0.000 0.444 80 Q N -0.340 119.471 119.800 0.018 0.000 2.084 80 Q HA -0.197 4.142 4.340 -0.001 0.000 0.202 80 Q C 1.942 177.959 176.000 0.027 0.000 0.978 80 Q CA 1.721 57.538 55.803 0.024 0.000 0.844 80 Q CB -0.355 28.398 28.738 0.025 0.000 0.898 80 Q HN 0.816 nan 8.270 nan 0.000 0.426 81 E N 0.749 120.964 120.200 0.024 0.000 2.051 81 E HA -0.206 4.143 4.350 -0.001 0.000 0.192 81 E C 1.987 178.604 176.600 0.029 0.000 0.991 81 E CA 0.951 57.367 56.400 0.027 0.000 0.799 81 E CB -0.035 29.679 29.700 0.023 0.000 0.748 81 E HN 0.398 nan 8.360 nan 0.000 0.449 82 E N 0.568 120.782 120.200 0.023 0.000 2.047 82 E HA -0.195 4.155 4.350 -0.001 0.000 0.191 82 E C 2.086 178.701 176.600 0.026 0.000 0.987 82 E CA 0.793 57.206 56.400 0.022 0.000 0.799 82 E CB 0.123 29.831 29.700 0.013 0.000 0.752 82 E HN 0.105 nan 8.360 nan 0.000 0.449 83 I N 1.195 121.779 120.570 0.023 0.000 2.226 83 I HA -0.165 4.004 4.170 -0.001 0.000 0.245 83 I C 2.557 178.705 176.117 0.051 0.000 1.100 83 I CA 1.542 62.857 61.300 0.026 0.000 1.374 83 I CB -1.791 36.221 38.000 0.020 0.000 1.057 83 I HN 0.256 nan 8.210 nan 0.000 0.413 84 G N 0.259 109.092 108.800 0.054 0.000 2.440 84 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.218 84 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.218 84 G C 1.541 176.489 174.900 0.079 0.000 1.154 84 G CA 0.372 45.513 45.100 0.069 0.000 0.767 84 G HN 0.331 nan 8.290 nan 0.000 0.552 85 Q N 0.039 119.879 119.800 0.066 0.000 2.079 85 Q HA 0.057 4.396 4.340 -0.001 0.000 0.200 85 Q C 2.838 178.893 176.000 0.090 0.000 0.974 85 Q CA 0.812 56.657 55.803 0.071 0.000 0.840 85 Q CB -0.435 28.335 28.738 0.053 0.000 0.898 85 Q HN 0.522 nan 8.270 nan 0.000 0.430 86 L N 0.060 121.328 121.223 0.076 0.000 2.056 86 L HA -0.116 4.223 4.340 -0.001 0.000 0.207 86 L C 2.733 179.691 176.870 0.148 0.000 1.078 86 L CA 1.133 56.022 54.840 0.081 0.000 0.749 86 L CB -0.458 41.616 42.059 0.025 0.000 0.901 86 L HN 0.160 nan 8.230 nan 0.000 0.433 87 R N 0.516 121.110 120.500 0.158 0.000 2.081 87 R HA -0.139 4.201 4.340 -0.001 0.000 0.235 87 R C 2.263 178.751 176.300 0.314 0.000 1.131 87 R CA 1.528 57.800 56.100 0.287 0.000 0.960 87 R CB -0.553 29.889 30.300 0.237 0.000 0.856 87 R HN 0.368 nan 8.270 nan 0.000 0.436 88 G N 0.671 109.594 108.800 0.205 0.000 2.440 88 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.218 88 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.218 88 G C 1.481 176.502 174.900 0.202 0.000 1.154 88 G CA 0.633 45.834 45.100 0.169 0.000 0.767 88 G HN 0.320 nan 8.290 nan 0.000 0.552 89 R N -1.380 119.265 120.500 0.241 0.000 2.090 89 R HA -0.056 4.284 4.340 -0.001 0.000 0.228 89 R C 2.242 178.795 176.300 0.422 0.000 1.110 89 R CA 1.084 57.374 56.100 0.317 0.000 0.973 89 R CB -0.340 30.093 30.300 0.222 0.000 0.869 89 R HN 0.540 nan 8.270 nan 0.000 0.440 90 W N 2.247 123.638 121.300 0.152 0.000 2.378 90 W HA -0.133 4.526 4.660 -0.001 0.000 0.313 90 W C 1.527 178.132 176.519 0.144 0.000 1.197 90 W CA 1.319 58.744 57.345 0.133 0.000 1.304 90 W CB -0.232 29.280 29.460 0.087 0.000 1.148 90 W HN -0.014 nan 8.180 nan 0.000 0.494 91 E N -0.899 119.337 120.200 0.061 0.000 2.268 91 E HA -0.080 4.269 4.350 -0.001 0.000 0.195 91 E C 2.181 178.742 176.600 -0.066 0.000 0.995 91 E CA 0.989 57.294 56.400 -0.159 0.000 0.836 91 E CB -0.614 29.074 29.700 -0.019 0.000 0.763 91 E HN 0.397 nan 8.360 nan 0.000 0.491 92 G N -0.009 108.797 108.800 0.010 0.000 2.920 92 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.208 92 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.208 92 G C -0.056 174.585 174.900 -0.433 0.000 1.159 92 G CA 0.204 45.211 45.100 -0.155 0.000 0.784 92 G HN 0.194 nan 8.290 nan 0.000 0.535 93 H N -1.503 117.583 119.070 0.026 0.000 2.894 93 H HA 0.619 5.175 4.556 -0.001 0.000 0.367 93 H C -1.006 174.323 175.328 0.001 0.000 1.144 93 H CA -0.688 55.381 56.048 0.035 0.000 1.180 93 H CB 2.212 32.003 29.762 0.049 0.000 1.758 93 H HN -0.020 nan 8.280 nan 0.000 0.541 94 I N 1.568 122.219 120.570 0.137 0.000 2.569 94 I HA 0.376 4.545 4.170 -0.001 0.000 0.290 94 I C -0.657 175.516 176.117 0.093 0.000 1.088 94 I CA -0.585 60.764 61.300 0.082 0.000 1.047 94 I CB 2.388 40.411 38.000 0.038 0.000 1.237 94 I HN 0.585 nan 8.210 nan 0.000 0.421 95 T N 6.085 120.664 114.554 0.041 0.000 2.841 95 T HA 0.780 5.130 4.350 -0.001 0.000 0.285 95 T C -0.987 173.645 174.700 -0.113 0.000 0.991 95 T CA -0.414 61.673 62.100 -0.021 0.000 0.966 95 T CB 0.805 69.652 68.868 -0.036 0.000 0.962 95 T HN 0.463 nan 8.240 nan 0.000 0.438 96 F N 2.014 121.708 119.950 -0.427 0.000 2.685 96 F HA 0.924 5.450 4.527 -0.001 0.000 0.315 96 F C -1.031 174.575 175.800 -0.323 0.000 1.126 96 F CA -1.491 56.138 58.000 -0.619 0.000 0.950 96 F CB 0.917 39.030 39.000 -1.479 0.000 1.360 96 F HN 0.757 nan 8.300 nan 0.000 0.469 97 A N 1.185 123.881 122.820 -0.206 0.000 2.337 97 A HA 0.979 5.298 4.320 -0.001 0.000 0.331 97 A C -1.160 176.447 177.584 0.038 0.000 1.137 97 A CA -0.373 51.567 52.037 -0.162 0.000 0.807 97 A CB 1.107 20.082 19.000 -0.041 0.000 1.250 97 A HN 1.848 nan 8.150 nan 0.000 0.468 98 A N 0.809 123.627 122.820 -0.002 0.000 2.486 98 A HA 0.748 5.067 4.320 -0.001 0.000 0.300 98 A C 0.095 177.722 177.584 0.072 0.000 1.048 98 A CA 0.104 52.210 52.037 0.115 0.000 0.696 98 A CB 1.050 20.140 19.000 0.151 0.000 1.278 98 A HN 2.037 nan 8.150 nan 0.000 0.405 99 S N 1.996 117.750 115.700 0.089 0.000 2.632 99 S HA 0.521 4.991 4.470 -0.001 0.000 0.267 99 S C -1.889 172.709 174.600 -0.004 0.000 1.276 99 S CA -0.853 57.376 58.200 0.049 0.000 0.998 99 S CB 0.704 63.937 63.200 0.055 0.000 0.953 99 S HN 0.360 nan 8.310 nan 0.000 0.547 100 P HA -0.062 nan 4.420 nan 0.000 0.215 100 P C 1.573 178.821 177.300 -0.087 0.000 1.153 100 P CA 2.011 65.040 63.100 -0.118 0.000 0.853 100 P CB -0.307 31.192 31.700 -0.335 0.000 0.788 101 A N -0.680 122.089 122.820 -0.085 0.000 1.933 101 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 101 A C 2.114 179.658 177.584 -0.067 0.000 1.175 101 A CA 1.374 53.382 52.037 -0.049 0.000 0.628 101 A CB -1.368 17.644 19.000 0.020 0.000 0.814 101 A HN 0.033 nan 8.150 nan 0.000 0.444 102 I N -0.039 120.512 120.570 -0.032 0.000 2.163 102 I HA -0.187 3.983 4.170 -0.001 0.000 0.240 102 I C 2.972 179.093 176.117 0.007 0.000 1.081 102 I CA 1.376 62.667 61.300 -0.014 0.000 1.353 102 I CB -1.695 36.342 38.000 0.061 0.000 1.054 102 I HN 0.346 nan 8.210 nan 0.000 0.407 103 A N 0.639 123.470 122.820 0.019 0.000 1.986 103 A HA -0.167 4.152 4.320 -0.001 0.000 0.220 103 A C 2.349 179.932 177.584 -0.001 0.000 1.171 103 A CA 1.553 53.601 52.037 0.019 0.000 0.640 103 A CB -0.739 18.267 19.000 0.009 0.000 0.811 103 A HN 0.461 nan 8.150 nan 0.000 0.451 104 L N -2.569 118.643 121.223 -0.018 0.000 2.416 104 L HA 0.165 4.504 4.340 -0.001 0.000 0.216 104 L C 2.510 179.358 176.870 -0.036 0.000 1.098 104 L CA 0.698 55.524 54.840 -0.022 0.000 0.840 104 L CB -0.079 41.968 42.059 -0.020 0.000 0.981 104 L HN 0.428 nan 8.230 nan 0.000 0.462 105 A N -0.715 122.073 122.820 -0.055 0.000 1.989 105 A HA 0.403 4.723 4.320 -0.001 0.000 0.201 105 A C 2.215 179.755 177.584 -0.073 0.000 1.720 105 A CA 0.711 52.706 52.037 -0.071 0.000 0.956 105 A CB -0.562 18.379 19.000 -0.099 0.000 1.094 105 A HN 0.126 nan 8.150 nan 0.000 0.561 106 A N 0.016 122.790 122.820 -0.077 0.000 1.872 106 A HA 0.091 4.411 4.320 -0.001 0.000 0.214 106 A C 2.124 179.710 177.584 0.004 0.000 1.187 106 A CA 1.372 53.396 52.037 -0.023 0.000 0.614 106 A CB -0.733 18.251 19.000 -0.027 0.000 0.826 106 A HN 0.409 nan 8.150 nan 0.000 0.442 107 L N -0.461 120.776 121.223 0.022 0.000 2.012 107 L HA -0.133 4.207 4.340 -0.001 0.000 0.210 107 L C -0.461 176.416 176.870 0.012 0.000 1.073 107 L CA 1.778 56.654 54.840 0.060 0.000 0.748 107 L CB -1.362 40.759 42.059 0.104 0.000 0.891 107 L HN 0.261 nan 8.230 nan 0.000 0.431 108 P HA -0.162 nan 4.420 nan 0.000 0.216 108 P C 1.944 179.178 177.300 -0.110 0.000 1.153 108 P CA 1.312 64.382 63.100 -0.049 0.000 0.848 108 P CB 0.114 31.783 31.700 -0.052 0.000 0.787 109 L N -1.252 119.845 121.223 -0.211 0.000 2.109 109 L HA -0.096 4.243 4.340 -0.001 0.000 0.207 109 L C 2.427 179.045 176.870 -0.420 0.000 1.086 109 L CA 1.382 55.974 54.840 -0.415 0.000 0.760 109 L CB -1.023 40.605 42.059 -0.718 0.000 0.910 109 L HN -0.046 nan 8.230 nan 0.000 0.437 110 A N 0.171 122.869 122.820 -0.204 0.000 1.898 110 A HA -0.153 4.167 4.320 -0.001 0.000 0.216 110 A C 2.214 179.833 177.584 0.059 0.000 1.181 110 A CA 1.244 53.366 52.037 0.141 0.000 0.620 110 A CB -0.617 18.553 19.000 0.284 0.000 0.819 110 A HN 0.342 nan 8.150 nan 0.000 0.442 111 L N -0.797 120.449 121.223 0.039 0.000 2.083 111 L HA -0.197 4.143 4.340 -0.001 0.000 0.209 111 L C 3.077 179.983 176.870 0.061 0.000 1.083 111 L CA 1.017 55.909 54.840 0.086 0.000 0.752 111 L CB -0.510 41.598 42.059 0.081 0.000 0.899 111 L HN 0.448 nan 8.230 nan 0.000 0.433 112 A N -0.640 122.151 122.820 -0.048 0.000 1.873 112 A HA -0.172 4.147 4.320 -0.001 0.000 0.215 112 A C 2.508 179.978 177.584 -0.191 0.000 1.186 112 A CA 1.982 53.964 52.037 -0.091 0.000 0.616 112 A CB -0.592 18.344 19.000 -0.107 0.000 0.823 112 A HN 0.361 nan 8.150 nan 0.000 0.442 113 S N -0.879 114.604 115.700 -0.362 0.000 2.356 113 S HA -0.145 4.325 4.470 -0.001 0.000 0.223 113 S C 1.684 175.804 174.600 -0.800 0.000 1.032 113 S CA 1.471 59.194 58.200 -0.795 0.000 1.005 113 S CB -0.587 61.669 63.200 -1.575 0.000 0.867 113 S HN 0.634 nan 8.310 nan 0.000 0.449 114 F N 2.775 122.309 119.950 -0.694 0.000 2.091 114 F HA -0.193 4.333 4.527 -0.001 0.000 0.299 114 F C 2.315 178.136 175.800 0.035 0.000 1.103 114 F CA 1.302 59.193 58.000 -0.182 0.000 1.228 114 F CB -0.720 38.304 39.000 0.040 0.000 0.984 114 F HN 0.178 nan 8.300 nan 0.000 0.477 115 A N 0.494 123.300 122.820 -0.023 0.000 2.019 115 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 115 A C 2.304 179.795 177.584 -0.155 0.000 1.164 115 A CA 1.451 53.444 52.037 -0.075 0.000 0.644 115 A CB -0.677 18.356 19.000 0.055 0.000 0.805 115 A HN 0.507 nan 8.150 nan 0.000 0.449 116 R N -0.843 119.551 120.500 -0.176 0.000 2.073 116 R HA -0.096 4.244 4.340 -0.001 0.000 0.229 116 R C 2.230 178.410 176.300 -0.200 0.000 1.120 116 R CA 1.440 57.442 56.100 -0.164 0.000 0.967 116 R CB -0.198 30.007 30.300 -0.158 0.000 0.862 116 R HN 0.761 nan 8.270 nan 0.000 0.436 117 E N -0.155 119.897 120.200 -0.247 0.000 2.112 117 E HA -0.073 4.276 4.350 -0.001 0.000 0.190 117 E C -0.325 175.863 176.600 -0.687 0.000 0.979 117 E CA 0.696 56.869 56.400 -0.379 0.000 0.814 117 E CB 0.320 29.890 29.700 -0.216 0.000 0.762 117 E HN 0.128 nan 8.360 nan 0.000 0.460 118 F N 0.843 120.501 119.950 -0.488 0.000 2.471 118 F HA 0.293 4.820 4.527 -0.001 0.000 0.318 118 F C -1.848 173.725 175.800 -0.378 0.000 1.308 118 F CA -1.944 55.750 58.000 -0.509 0.000 1.162 118 F CB 1.551 40.023 39.000 -0.880 0.000 1.383 118 F HN 0.015 nan 8.300 nan 0.000 0.552 119 P HA -0.128 nan 4.420 nan 0.000 0.222 119 P C 0.284 177.570 177.300 -0.024 0.000 1.147 119 P CA 1.358 64.414 63.100 -0.074 0.000 0.790 119 P CB 0.421 32.074 31.700 -0.077 0.000 0.780 120 D N -0.483 119.912 120.400 -0.008 0.000 2.424 120 D HA 0.127 4.766 4.640 -0.001 0.000 0.220 120 D C 0.092 176.392 176.300 0.001 0.000 1.150 120 D CA -0.021 53.980 54.000 0.000 0.000 0.831 120 D CB 0.874 41.674 40.800 -0.001 0.000 0.981 120 D HN 0.052 nan 8.370 nan 0.000 0.500 121 V N 1.112 121.053 119.914 0.046 0.000 2.427 121 V HA 0.214 4.334 4.120 -0.001 0.000 0.286 121 V C 0.606 176.744 176.094 0.073 0.000 1.034 121 V CA -0.412 61.923 62.300 0.058 0.000 0.893 121 V CB 1.902 33.851 31.823 0.210 0.000 0.982 121 V HN -0.068 nan 8.190 nan 0.000 0.452 122 T N 4.892 119.416 114.554 -0.051 0.000 2.749 122 T HA 0.436 4.786 4.350 -0.001 0.000 0.295 122 T C -0.126 174.634 174.700 0.101 0.000 0.936 122 T CA -0.135 61.980 62.100 0.026 0.000 1.060 122 T CB 1.017 69.889 68.868 0.007 0.000 0.904 122 T HN 0.376 nan 8.240 nan 0.000 0.500 123 V N 4.807 124.795 119.914 0.124 0.000 2.483 123 V HA 0.458 4.578 4.120 -0.001 0.000 0.295 123 V C 0.206 176.341 176.094 0.069 0.000 1.035 123 V CA -0.985 61.385 62.300 0.116 0.000 0.896 123 V CB 1.660 33.557 31.823 0.123 0.000 0.986 123 V HN 0.759 nan 8.190 nan 0.000 0.447 124 N N 3.459 122.176 118.700 0.029 0.000 2.483 124 N HA 0.400 5.139 4.740 -0.001 0.000 0.267 124 N C -1.463 173.896 175.510 -0.252 0.000 0.998 124 N CA -0.096 52.916 53.050 -0.064 0.000 0.918 124 N CB 1.932 40.398 38.487 -0.034 0.000 1.215 124 N HN 0.483 nan 8.380 nan 0.000 0.500 125 V N 4.881 124.591 119.914 -0.339 0.000 2.555 125 V HA 0.690 4.810 4.120 -0.001 0.000 0.302 125 V C -0.533 175.314 176.094 -0.413 0.000 1.038 125 V CA -0.621 61.274 62.300 -0.675 0.000 0.887 125 V CB 1.325 32.688 31.823 -0.766 0.000 0.991 125 V HN 0.776 nan 8.190 nan 0.000 0.434 126 R N 3.443 123.683 120.500 -0.432 0.000 2.888 126 R HA 0.645 4.984 4.340 -0.001 0.000 0.264 126 R C -1.369 174.819 176.300 -0.186 0.000 1.045 126 R CA -1.008 54.952 56.100 -0.233 0.000 0.962 126 R CB 1.428 31.625 30.300 -0.171 0.000 1.210 126 R HN 0.481 nan 8.270 nan 0.000 0.479 127 D N -0.261 120.085 120.400 -0.089 0.000 2.362 127 D HA 0.448 5.087 4.640 -0.001 0.000 0.242 127 D C -0.041 176.251 176.300 -0.013 0.000 1.132 127 D CA 0.539 54.523 54.000 -0.027 0.000 0.907 127 D CB 1.604 42.417 40.800 0.020 0.000 1.195 127 D HN 0.731 nan 8.370 nan 0.000 0.429 128 G N -0.130 108.688 108.800 0.030 0.000 2.616 128 G HA2 0.481 4.440 3.960 -0.001 0.000 0.294 128 G HA3 0.481 4.440 3.960 -0.001 0.000 0.294 128 G C -1.528 173.431 174.900 0.098 0.000 1.489 128 G CA -0.729 44.401 45.100 0.051 0.000 0.836 128 G HN 0.403 nan 8.290 nan 0.000 0.527 129 M N 1.093 120.758 119.600 0.108 0.000 2.550 129 M HA 0.693 5.173 4.480 -0.001 0.000 0.292 129 M C -1.766 174.628 176.300 0.157 0.000 1.221 129 M CA -1.055 54.334 55.300 0.148 0.000 0.873 129 M CB 2.566 35.256 32.600 0.150 0.000 1.727 129 M HN 0.649 nan 8.290 nan 0.000 0.459 130 Y N 4.515 124.861 120.300 0.076 0.000 2.299 130 Y HA 0.482 5.031 4.550 -0.001 0.000 0.326 130 Y C -1.947 173.992 175.900 0.065 0.000 1.164 130 Y CA -1.228 56.911 58.100 0.065 0.000 1.234 130 Y CB 1.157 39.656 38.460 0.063 0.000 1.219 130 Y HN 0.475 nan 8.280 nan 0.000 0.497 131 P HA 0.115 nan 4.420 nan 0.000 0.255 131 P C 0.638 177.677 177.300 -0.434 0.000 1.248 131 P CA 0.840 63.281 63.100 -1.099 0.000 0.807 131 P CB 0.147 31.259 31.700 -0.981 0.000 1.150 132 A N 1.240 123.947 122.820 -0.188 0.000 1.917 132 A HA -0.187 4.132 4.320 -0.001 0.000 0.219 132 A C 2.162 179.713 177.584 -0.055 0.000 1.182 132 A CA 2.481 54.466 52.037 -0.088 0.000 0.633 132 A CB -1.733 17.249 19.000 -0.030 0.000 0.819 132 A HN 0.201 nan 8.150 nan 0.000 0.448 133 V N -2.719 117.188 119.914 -0.012 0.000 3.141 133 V HA -0.096 4.024 4.120 -0.001 0.000 0.265 133 V C 2.168 178.289 176.094 0.044 0.000 1.126 133 V CA 2.067 64.391 62.300 0.040 0.000 1.141 133 V CB -1.045 30.840 31.823 0.105 0.000 0.743 133 V HN 0.459 nan 8.190 nan 0.000 0.492 134 S N 1.893 117.591 115.700 -0.003 0.000 2.353 134 S HA -0.081 4.388 4.470 -0.001 0.000 0.222 134 S C 0.441 175.053 174.600 0.021 0.000 1.035 134 S CA 2.204 60.423 58.200 0.032 0.000 1.025 134 S CB -1.224 61.944 63.200 -0.054 0.000 0.902 134 S HN 0.659 nan 8.310 nan 0.000 0.440 135 P HA -0.082 nan 4.420 nan 0.000 0.220 135 P C 1.061 178.365 177.300 0.006 0.000 1.148 135 P CA 1.245 64.343 63.100 -0.004 0.000 0.803 135 P CB -0.157 31.533 31.700 -0.016 0.000 0.782 136 Q N -0.703 119.103 119.800 0.010 0.000 2.163 136 Q HA 0.038 4.377 4.340 -0.001 0.000 0.198 136 Q C 2.416 178.433 176.000 0.029 0.000 0.954 136 Q CA 0.770 56.582 55.803 0.014 0.000 0.851 136 Q CB -0.534 28.209 28.738 0.007 0.000 0.928 136 Q HN 0.217 nan 8.270 nan 0.000 0.459 137 L N 0.200 121.451 121.223 0.047 0.000 2.046 137 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 137 L C 2.416 179.313 176.870 0.045 0.000 1.077 137 L CA 1.369 56.247 54.840 0.064 0.000 0.747 137 L CB -0.290 41.827 42.059 0.096 0.000 0.896 137 L HN 0.172 nan 8.230 nan 0.000 0.432 138 R N 0.156 120.675 120.500 0.032 0.000 2.073 138 R HA -0.143 4.196 4.340 -0.001 0.000 0.229 138 R C 1.832 178.138 176.300 0.010 0.000 1.120 138 R CA 1.530 57.638 56.100 0.013 0.000 0.967 138 R CB -0.373 29.933 30.300 0.010 0.000 0.862 138 R HN 0.516 nan 8.270 nan 0.000 0.436 139 D N -1.096 119.311 120.400 0.013 0.000 2.347 139 D HA -0.004 4.636 4.640 -0.001 0.000 0.215 139 D C 1.169 177.480 176.300 0.018 0.000 0.976 139 D CA 1.061 55.067 54.000 0.011 0.000 0.884 139 D CB 0.100 40.904 40.800 0.006 0.000 0.915 139 D HN 0.317 nan 8.370 nan 0.000 0.526 140 G N -0.277 108.540 108.800 0.029 0.000 2.176 140 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.232 140 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.232 140 G C 1.168 176.095 174.900 0.044 0.000 0.986 140 G CA 0.926 46.053 45.100 0.045 0.000 0.643 140 G HN 0.601 nan 8.290 nan 0.000 0.522 141 T N -2.130 112.440 114.554 0.027 0.000 2.995 141 T HA 0.383 4.732 4.350 -0.001 0.000 0.269 141 T C 0.878 175.584 174.700 0.011 0.000 1.091 141 T CA 1.332 63.441 62.100 0.016 0.000 1.128 141 T CB 0.375 69.245 68.868 0.003 0.000 0.891 141 T HN 0.698 nan 8.240 nan 0.000 0.492 142 L N 1.772 123.005 121.223 0.017 0.000 2.325 142 L HA 0.457 4.797 4.340 -0.001 0.000 0.281 142 L C 0.220 177.112 176.870 0.037 0.000 1.004 142 L CA -0.530 54.312 54.840 0.003 0.000 0.823 142 L CB 1.831 43.891 42.059 0.002 0.000 1.236 142 L HN -0.094 nan 8.230 nan 0.000 0.415 143 D N 3.827 124.242 120.400 0.025 0.000 2.084 143 D HA -0.045 4.595 4.640 -0.001 0.000 0.196 143 D C 0.121 176.557 176.300 0.226 0.000 0.985 143 D CA 1.879 55.950 54.000 0.117 0.000 0.826 143 D CB 0.077 40.957 40.800 0.134 0.000 0.978 143 D HN 0.396 nan 8.370 nan 0.000 0.456 144 F N -1.435 118.580 119.950 0.108 0.000 2.685 144 F HA 0.741 5.267 4.527 -0.001 0.000 0.315 144 F C -1.476 174.422 175.800 0.163 0.000 1.126 144 F CA -1.696 56.364 58.000 0.099 0.000 0.950 144 F CB 1.441 40.462 39.000 0.035 0.000 1.360 144 F HN -0.128 nan 8.300 nan 0.000 0.469 145 A N 1.605 124.645 122.820 0.366 0.000 2.414 145 A HA 0.818 5.138 4.320 -0.001 0.000 0.306 145 A C -1.787 176.015 177.584 0.364 0.000 1.054 145 A CA -0.880 51.333 52.037 0.293 0.000 0.724 145 A CB 1.539 20.661 19.000 0.203 0.000 1.267 145 A HN 0.846 nan 8.150 nan 0.000 0.418 146 L N 2.018 123.447 121.223 0.344 0.000 2.301 146 L HA 0.668 5.008 4.340 -0.001 0.000 0.278 146 L C 0.089 177.083 176.870 0.206 0.000 1.022 146 L CA -0.171 54.836 54.840 0.278 0.000 0.854 146 L CB 1.352 43.590 42.059 0.298 0.000 1.226 146 L HN 0.773 nan 8.230 nan 0.000 0.429 147 T N 1.533 116.202 114.554 0.191 0.000 2.889 147 T HA 0.684 5.033 4.350 -0.001 0.000 0.315 147 T C -0.797 174.003 174.700 0.166 0.000 1.291 147 T CA -0.287 61.916 62.100 0.170 0.000 1.028 147 T CB 1.647 70.633 68.868 0.197 0.000 1.235 147 T HN 0.550 nan 8.240 nan 0.000 0.491 148 A N 1.811 124.710 122.820 0.132 0.000 2.462 148 A HA 0.779 5.099 4.320 -0.001 0.000 0.243 148 A C 0.492 178.129 177.584 0.089 0.000 1.076 148 A CA 0.337 52.434 52.037 0.101 0.000 0.773 148 A CB -0.419 18.608 19.000 0.045 0.000 1.010 148 A HN 1.631 nan 8.150 nan 0.000 0.493 149 A N 1.622 124.468 122.820 0.044 0.000 2.599 149 A HA 0.666 4.985 4.320 -0.001 0.000 0.290 149 A C -1.030 176.431 177.584 -0.204 0.000 1.101 149 A CA -0.742 51.223 52.037 -0.120 0.000 0.674 149 A CB 0.765 19.537 19.000 -0.381 0.000 1.277 149 A HN 0.894 nan 8.150 nan 0.000 0.419 150 H N 1.321 120.400 119.070 0.016 0.000 2.519 150 H HA 0.252 4.807 4.556 -0.001 0.000 0.316 150 H C 0.840 176.152 175.328 -0.027 0.000 1.065 150 H CA -0.163 55.917 56.048 0.053 0.000 1.264 150 H CB 1.949 31.754 29.762 0.071 0.000 1.413 150 H HN 0.903 nan 8.280 nan 0.000 0.465 151 K N 2.353 122.808 120.400 0.091 0.000 2.052 151 K HA -0.259 4.061 4.320 -0.001 0.000 0.215 151 K C 0.818 177.396 176.600 -0.037 0.000 1.053 151 K CA 1.827 58.076 56.287 -0.063 0.000 0.934 151 K CB 0.080 32.631 32.500 0.084 0.000 0.717 151 K HN 0.575 nan 8.250 nan 0.000 0.450 152 H N -0.337 118.729 119.070 -0.006 0.000 2.546 152 H HA 0.009 4.565 4.556 -0.001 0.000 0.277 152 H C 0.941 176.275 175.328 0.010 0.000 1.004 152 H CA 1.066 57.113 56.048 -0.001 0.000 1.231 152 H CB 0.201 29.970 29.762 0.011 0.000 1.382 152 H HN 0.293 nan 8.280 nan 0.000 0.580 153 D N -0.211 120.272 120.400 0.138 0.000 2.360 153 D HA 0.088 4.728 4.640 -0.001 0.000 0.210 153 D C 0.257 176.630 176.300 0.122 0.000 1.047 153 D CA 0.079 54.161 54.000 0.138 0.000 0.854 153 D CB 0.377 41.298 40.800 0.201 0.000 0.936 153 D HN 0.298 nan 8.370 nan 0.000 0.514 154 I N 1.538 122.094 120.570 -0.024 0.000 2.496 154 I HA -0.026 4.143 4.170 -0.001 0.000 0.285 154 I C 0.863 177.001 176.117 0.035 0.000 1.080 154 I CA -0.562 60.676 61.300 -0.104 0.000 1.404 154 I CB 0.535 38.330 38.000 -0.342 0.000 1.403 154 I HN -0.199 nan 8.210 nan 0.000 0.539 155 D N 4.773 125.265 120.400 0.153 0.000 2.629 155 D HA -0.099 4.540 4.640 -0.001 0.000 0.228 155 D C 1.181 177.529 176.300 0.080 0.000 1.127 155 D CA 0.480 54.555 54.000 0.125 0.000 0.855 155 D CB 1.025 41.920 40.800 0.158 0.000 1.180 155 D HN 0.599 nan 8.370 nan 0.000 0.484 156 T N 2.535 117.137 114.554 0.079 0.000 2.849 156 T HA -0.155 4.194 4.350 -0.001 0.000 0.270 156 T C 1.102 175.923 174.700 0.201 0.000 1.066 156 T CA 0.912 63.072 62.100 0.099 0.000 1.130 156 T CB -0.017 68.899 68.868 0.080 0.000 0.864 156 T HN 0.442 nan 8.240 nan 0.000 0.481 157 D N 0.750 121.224 120.400 0.123 0.000 2.309 157 D HA 0.046 4.685 4.640 -0.001 0.000 0.212 157 D C 0.477 176.725 176.300 -0.087 0.000 0.968 157 D CA 0.599 54.590 54.000 -0.014 0.000 0.882 157 D CB -0.056 40.718 40.800 -0.042 0.000 0.918 157 D HN 0.388 nan 8.370 nan 0.000 0.503 158 L N 0.793 122.070 121.223 0.091 0.000 2.325 158 L HA 0.322 4.661 4.340 -0.001 0.000 0.278 158 L C 0.481 177.431 176.870 0.134 0.000 1.023 158 L CA -0.771 54.115 54.840 0.077 0.000 0.811 158 L CB 2.175 44.263 42.059 0.048 0.000 1.249 158 L HN -0.202 nan 8.230 nan 0.000 0.431 159 E N 1.962 122.235 120.200 0.122 0.000 2.331 159 E HA 0.569 4.919 4.350 -0.001 0.000 0.272 159 E C -1.038 175.572 176.600 0.018 0.000 1.036 159 E CA -0.540 55.908 56.400 0.081 0.000 0.864 159 E CB 1.469 31.228 29.700 0.099 0.000 1.035 159 E HN 0.675 nan 8.360 nan 0.000 0.408 160 A N 4.845 127.654 122.820 -0.018 0.000 2.357 160 A HA 0.238 4.558 4.320 -0.001 0.000 0.295 160 A C -1.154 176.511 177.584 0.136 0.000 1.121 160 A CA -0.697 51.326 52.037 -0.022 0.000 0.742 160 A CB 1.369 20.167 19.000 -0.335 0.000 1.181 160 A HN 0.652 nan 8.150 nan 0.000 0.454 161 Q N 3.964 123.893 119.800 0.215 0.000 2.341 161 Q HA 0.491 4.831 4.340 -0.001 0.000 0.268 161 Q C -2.798 173.293 176.000 0.152 0.000 1.013 161 Q CA -2.021 53.880 55.803 0.163 0.000 0.798 161 Q CB 1.973 30.739 28.738 0.047 0.000 1.253 161 Q HN 0.385 nan 8.270 nan 0.000 0.457 162 P HA -0.058 nan 4.420 nan 0.000 0.265 162 P C -0.377 176.830 177.300 -0.155 0.000 1.193 162 P CA -0.017 62.907 63.100 -0.294 0.000 0.765 162 P CB 0.736 32.282 31.700 -0.256 0.000 0.823 163 L N 3.785 124.909 121.223 -0.165 0.000 2.586 163 L HA 0.458 4.798 4.340 -0.001 0.000 0.204 163 L C -0.545 176.367 176.870 0.070 0.000 1.053 163 L CA 0.907 55.729 54.840 -0.030 0.000 0.856 163 L CB 0.032 42.097 42.059 0.009 0.000 1.192 163 L HN 0.283 nan 8.230 nan 0.000 0.484 164 Y N -0.632 119.582 120.300 -0.143 0.000 2.482 164 Y HA 0.557 5.107 4.550 -0.001 0.000 0.334 164 Y C -1.464 174.361 175.900 -0.125 0.000 1.091 164 Y CA -1.518 56.521 58.100 -0.102 0.000 1.027 164 Y CB 1.554 39.980 38.460 -0.058 0.000 1.306 164 Y HN -0.285 nan 8.280 nan 0.000 0.446 165 V N 6.096 125.621 119.914 -0.648 0.000 2.348 165 V HA 0.385 4.505 4.120 -0.001 0.000 0.270 165 V C 0.066 175.672 176.094 -0.813 0.000 1.037 165 V CA -0.170 61.803 62.300 -0.545 0.000 0.872 165 V CB 0.565 32.178 31.823 -0.349 0.000 1.002 165 V HN 0.799 nan 8.190 nan 0.000 0.464 166 S N 3.576 119.009 115.700 -0.445 0.000 2.693 166 S HA 0.584 5.053 4.470 -0.001 0.000 0.276 166 S C -0.680 173.846 174.600 -0.123 0.000 1.192 166 S CA -0.828 57.234 58.200 -0.230 0.000 0.994 166 S CB 1.730 64.949 63.200 0.031 0.000 1.012 166 S HN 0.595 nan 8.310 nan 0.000 0.550 167 D N 0.035 120.423 120.400 -0.021 0.000 2.350 167 D HA 0.591 5.231 4.640 -0.001 0.000 0.245 167 D C -0.966 175.350 176.300 0.026 0.000 1.036 167 D CA -0.407 53.593 54.000 -0.000 0.000 0.848 167 D CB 1.883 42.698 40.800 0.025 0.000 1.307 167 D HN 0.391 nan 8.370 nan 0.000 0.469 168 V N 1.806 121.735 119.914 0.025 0.000 2.435 168 V HA 0.540 4.660 4.120 -0.001 0.000 0.290 168 V C 0.050 176.161 176.094 0.028 0.000 1.030 168 V CA -0.726 61.597 62.300 0.039 0.000 0.881 168 V CB 1.595 33.445 31.823 0.046 0.000 0.983 168 V HN 0.430 nan 8.190 nan 0.000 0.445 169 V N 3.161 123.089 119.914 0.024 0.000 2.823 169 V HA 0.676 4.796 4.120 -0.001 0.000 0.312 169 V C -0.500 175.592 176.094 -0.004 0.000 1.072 169 V CA -0.885 61.396 62.300 -0.032 0.000 0.937 169 V CB 1.947 33.684 31.823 -0.142 0.000 1.013 169 V HN 0.647 nan 8.190 nan 0.000 0.430 170 I N 3.348 123.915 120.570 -0.006 0.000 2.365 170 I HA 0.574 4.743 4.170 -0.001 0.000 0.291 170 I C -0.473 175.603 176.117 -0.067 0.000 1.004 170 I CA -0.408 60.929 61.300 0.061 0.000 1.311 170 I CB 1.695 39.778 38.000 0.138 0.000 1.401 170 I HN 0.492 nan 8.210 nan 0.000 0.491 171 V N 5.003 124.892 119.914 -0.041 0.000 2.789 171 V HA 0.848 4.968 4.120 -0.001 0.000 0.311 171 V C 0.223 176.256 176.094 -0.101 0.000 1.073 171 V CA -0.465 61.781 62.300 -0.090 0.000 0.921 171 V CB 1.791 33.612 31.823 -0.002 0.000 1.009 171 V HN 0.918 nan 8.190 nan 0.000 0.426 172 G N 2.245 110.979 108.800 -0.109 0.000 2.766 172 G HA2 0.616 4.575 3.960 -0.001 0.000 0.288 172 G HA3 0.616 4.575 3.960 -0.001 0.000 0.288 172 G C -0.981 173.925 174.900 0.010 0.000 1.408 172 G CA -0.762 44.265 45.100 -0.120 0.000 0.852 172 G HN 0.804 nan 8.290 nan 0.000 0.487 173 Q N -0.422 119.411 119.800 0.055 0.000 2.474 173 Q HA 0.245 4.585 4.340 -0.001 0.000 0.256 173 Q C 1.510 177.556 176.000 0.075 0.000 1.048 173 Q CA -0.013 55.821 55.803 0.052 0.000 0.922 173 Q CB 1.153 29.906 28.738 0.025 0.000 1.288 173 Q HN 0.643 nan 8.270 nan 0.000 0.484 174 R N 0.519 121.053 120.500 0.057 0.000 2.117 174 R HA -0.200 4.140 4.340 -0.001 0.000 0.243 174 R C 0.811 177.145 176.300 0.057 0.000 1.143 174 R CA 1.793 57.930 56.100 0.062 0.000 0.968 174 R CB 0.172 30.501 30.300 0.047 0.000 0.863 174 R HN 0.748 nan 8.270 nan 0.000 0.444 175 Q N -0.077 119.749 119.800 0.044 0.000 2.222 175 Q HA 0.020 4.360 4.340 -0.001 0.000 0.206 175 Q C -0.485 175.533 176.000 0.030 0.000 0.877 175 Q CA -0.035 55.785 55.803 0.028 0.000 0.958 175 Q CB 0.220 28.959 28.738 0.002 0.000 1.075 175 Q HN 0.393 nan 8.270 nan 0.000 0.483 176 H N 2.265 121.320 119.070 -0.025 0.000 3.001 176 H HA -0.020 4.536 4.556 -0.001 0.000 0.334 176 H C -1.491 173.816 175.328 -0.035 0.000 1.034 176 H CA -0.822 55.201 56.048 -0.041 0.000 1.420 176 H CB 1.199 30.926 29.762 -0.058 0.000 1.405 176 H HN -0.081 nan 8.280 nan 0.000 0.593 177 P HA -0.120 nan 4.420 nan 0.000 0.219 177 P C 1.027 178.371 177.300 0.073 0.000 1.146 177 P CA 1.114 64.167 63.100 -0.078 0.000 0.808 177 P CB 0.283 31.884 31.700 -0.166 0.000 0.779 178 M N -1.868 117.907 119.600 0.291 0.000 2.493 178 M HA 0.270 4.750 4.480 -0.001 0.000 0.244 178 M C 1.524 177.884 176.300 0.099 0.000 1.182 178 M CA -0.635 54.775 55.300 0.184 0.000 0.981 178 M CB -1.261 31.442 32.600 0.171 0.000 1.551 178 M HN -0.139 nan 8.290 nan 0.000 0.476 179 A N 1.158 124.043 122.820 0.107 0.000 2.024 179 A HA -0.130 4.190 4.320 -0.001 0.000 0.220 179 A C 1.748 179.345 177.584 0.021 0.000 1.164 179 A CA 1.495 53.559 52.037 0.046 0.000 0.643 179 A CB -0.409 18.627 19.000 0.060 0.000 0.806 179 A HN 0.494 nan 8.150 nan 0.000 0.451 180 N N -0.106 118.609 118.700 0.025 0.000 2.270 180 N HA 0.257 4.996 4.740 -0.001 0.000 0.198 180 N C 0.447 175.961 175.510 0.008 0.000 1.117 180 N CA 0.656 53.715 53.050 0.015 0.000 0.845 180 N CB -0.058 38.439 38.487 0.016 0.000 0.980 180 N HN 0.455 nan 8.380 nan 0.000 0.486 181 A N 0.580 123.405 122.820 0.008 0.000 2.520 181 A HA 0.189 4.509 4.320 -0.001 0.000 0.235 181 A C 1.428 179.006 177.584 -0.011 0.000 1.065 181 A CA 0.513 52.550 52.037 0.001 0.000 0.764 181 A CB 0.226 19.229 19.000 0.005 0.000 1.002 181 A HN 0.353 nan 8.150 nan 0.000 0.502 182 T N -0.922 113.621 114.554 -0.018 0.000 2.978 182 T HA 0.259 4.609 4.350 -0.001 0.000 0.248 182 T C 0.666 175.336 174.700 -0.050 0.000 1.018 182 T CA -0.071 62.013 62.100 -0.026 0.000 1.026 182 T CB 0.179 69.036 68.868 -0.018 0.000 1.032 182 T HN 0.568 nan 8.240 nan 0.000 0.485 183 R N 0.527 120.990 120.500 -0.061 0.000 2.740 183 R HA 0.538 4.878 4.340 -0.001 0.000 0.282 183 R C 0.466 176.682 176.300 -0.140 0.000 0.969 183 R CA -0.962 55.071 56.100 -0.112 0.000 0.918 183 R CB 1.722 31.966 30.300 -0.092 0.000 1.175 183 R HN 0.052 nan 8.270 nan 0.000 0.464 184 L N 2.761 123.829 121.223 -0.259 0.000 2.079 184 L HA -0.148 4.192 4.340 -0.001 0.000 0.210 184 L C 2.003 178.714 176.870 -0.266 0.000 1.081 184 L CA 2.332 57.009 54.840 -0.273 0.000 0.752 184 L CB -0.558 41.195 42.059 -0.510 0.000 0.896 184 L HN 0.894 nan 8.230 nan 0.000 0.433 185 A N -0.882 121.785 122.820 -0.254 0.000 1.986 185 A HA -0.261 4.058 4.320 -0.001 0.000 0.220 185 A C 2.095 179.625 177.584 -0.091 0.000 1.171 185 A CA 1.902 53.824 52.037 -0.192 0.000 0.640 185 A CB -0.645 18.284 19.000 -0.119 0.000 0.811 185 A HN 0.646 nan 8.150 nan 0.000 0.451 186 E N -0.463 119.705 120.200 -0.054 0.000 2.338 186 E HA -0.058 4.292 4.350 -0.001 0.000 0.197 186 E C 1.066 177.697 176.600 0.052 0.000 1.007 186 E CA 0.646 57.046 56.400 0.000 0.000 0.849 186 E CB -0.171 29.528 29.700 -0.001 0.000 0.774 186 E HN 0.672 nan 8.360 nan 0.000 0.506 187 L N 0.957 122.235 121.223 0.092 0.000 2.640 187 L HA 0.053 4.392 4.340 -0.001 0.000 0.230 187 L C 2.299 179.413 176.870 0.406 0.000 1.123 187 L CA -0.053 54.930 54.840 0.238 0.000 0.900 187 L CB -0.139 42.147 42.059 0.378 0.000 1.146 187 L HN 0.120 nan 8.230 nan 0.000 0.484 188 Q N 0.276 120.221 119.800 0.241 0.000 2.364 188 Q HA -0.157 4.182 4.340 -0.001 0.000 0.209 188 Q C 0.892 177.156 176.000 0.441 0.000 0.977 188 Q CA 1.154 57.172 55.803 0.358 0.000 0.885 188 Q CB 0.073 28.849 28.738 0.062 0.000 0.941 188 Q HN 0.425 nan 8.270 nan 0.000 0.464 189 E N 0.145 120.515 120.200 0.283 0.000 2.481 189 E HA 0.124 4.474 4.350 -0.001 0.000 0.198 189 E C 0.312 177.015 176.600 0.172 0.000 1.027 189 E CA -0.086 56.438 56.400 0.207 0.000 0.900 189 E CB 0.342 30.114 29.700 0.120 0.000 0.993 189 E HN 0.294 nan 8.360 nan 0.000 0.482 190 C N 1.735 121.143 119.300 0.180 0.000 2.705 190 C HA 0.218 4.677 4.460 -0.001 0.000 0.382 190 C C 1.094 176.036 174.990 -0.081 0.000 1.322 190 C CA -0.380 58.628 59.018 -0.016 0.000 2.290 190 C CB 0.080 27.689 27.740 -0.218 0.000 2.650 190 C HN 0.173 nan 8.230 nan 0.000 0.695 191 R N 0.130 120.516 120.500 -0.189 0.000 2.428 191 R HA 0.369 4.709 4.340 -0.001 0.000 0.294 191 R C -1.505 174.592 176.300 -0.339 0.000 1.000 191 R CA -0.114 55.904 56.100 -0.137 0.000 0.960 191 R CB 1.066 31.323 30.300 -0.071 0.000 1.076 191 R HN 0.686 nan 8.270 nan 0.000 0.475 192 W N 0.370 121.639 121.300 -0.053 0.000 2.632 192 W HA 0.470 5.129 4.660 -0.001 0.000 0.328 192 W C -0.263 176.225 176.519 -0.051 0.000 1.044 192 W CA -0.649 56.694 57.345 -0.003 0.000 1.225 192 W CB 1.690 31.226 29.460 0.127 0.000 1.396 192 W HN 0.576 nan 8.180 nan 0.000 0.499 193 A N 3.800 126.758 122.820 0.230 0.000 2.343 193 A HA 0.436 4.755 4.320 -0.001 0.000 0.305 193 A C -0.951 176.839 177.584 0.343 0.000 1.308 193 A CA -0.441 51.696 52.037 0.167 0.000 0.949 193 A CB -0.441 18.613 19.000 0.089 0.000 1.148 193 A HN 0.431 nan 8.150 nan 0.000 0.545 194 F N 2.798 122.786 119.950 0.062 0.000 2.502 194 F HA 0.213 4.740 4.527 -0.001 0.000 0.371 194 F C 1.352 177.131 175.800 -0.036 0.000 1.083 194 F CA -0.351 57.657 58.000 0.013 0.000 1.174 194 F CB 0.405 39.393 39.000 -0.020 0.000 1.096 194 F HN 0.623 nan 8.300 nan 0.000 0.545 195 S N 1.653 117.416 115.700 0.106 0.000 2.713 195 S HA 0.585 5.055 4.470 -0.001 0.000 0.283 195 S C 0.007 174.562 174.600 -0.076 0.000 1.161 195 S CA -0.985 57.170 58.200 -0.074 0.000 0.999 195 S CB 1.314 64.494 63.200 -0.033 0.000 1.039 195 S HN 0.385 nan 8.310 nan 0.000 0.548 196 S N 0.671 116.242 115.700 -0.215 0.000 2.576 196 S HA 0.666 5.135 4.470 -0.001 0.000 0.276 196 S C 0.043 174.746 174.600 0.172 0.000 1.339 196 S CA -0.125 58.066 58.200 -0.016 0.000 1.039 196 S CB 0.476 63.664 63.200 -0.020 0.000 0.902 196 S HN 1.207 nan 8.310 nan 0.000 0.516 197 A N 3.416 126.311 122.820 0.125 0.000 2.604 197 A HA 0.687 5.007 4.320 -0.001 0.000 0.295 197 A C -2.571 175.094 177.584 0.134 0.000 1.067 197 A CA -1.335 50.788 52.037 0.143 0.000 0.683 197 A CB 0.389 19.449 19.000 0.100 0.000 1.281 197 A HN 0.486 nan 8.150 nan 0.000 0.407 198 P HA -0.156 nan 4.420 nan 0.000 0.217 198 P C 1.022 178.427 177.300 0.175 0.000 1.151 198 P CA 1.435 64.664 63.100 0.215 0.000 0.849 198 P CB 0.147 32.019 31.700 0.286 0.000 0.787 199 R N -1.340 119.254 120.500 0.157 0.000 2.320 199 R HA 0.381 4.721 4.340 -0.001 0.000 0.211 199 R C 0.687 176.998 176.300 0.019 0.000 0.931 199 R CA 0.353 56.498 56.100 0.075 0.000 1.071 199 R CB -0.019 30.302 30.300 0.034 0.000 1.025 199 R HN 0.215 nan 8.270 nan 0.000 0.495 200 G N 1.021 109.833 108.800 0.021 0.000 2.440 200 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.684 200 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.684 200 G C -3.005 171.877 174.900 -0.030 0.000 1.309 200 G CA -1.419 43.678 45.100 -0.004 0.000 0.931 200 G HN -0.167 nan 8.290 nan 0.000 0.612 201 P HA 0.372 nan 4.420 nan 0.000 0.264 201 P C 1.149 178.333 177.300 -0.193 0.000 1.193 201 P CA 1.967 65.058 63.100 -0.016 0.000 0.763 201 P CB 0.769 32.522 31.700 0.089 0.000 0.810 202 G N 2.820 111.423 108.800 -0.329 0.000 2.168 202 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.263 202 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.263 202 G C 1.177 175.668 174.900 -0.682 0.000 0.977 202 G CA 0.467 45.028 45.100 -0.899 0.000 0.659 202 G HN 0.682 nan 8.290 nan 0.000 0.533 203 A N -0.070 122.546 122.820 -0.341 0.000 1.940 203 A HA 0.145 4.465 4.320 -0.001 0.000 0.219 203 A C 2.370 179.840 177.584 -0.191 0.000 1.176 203 A CA 1.852 53.752 52.037 -0.228 0.000 0.631 203 A CB -0.304 18.644 19.000 -0.087 0.000 0.814 203 A HN 0.790 nan 8.150 nan 0.000 0.446 204 I N -1.139 119.343 120.570 -0.148 0.000 2.179 204 I HA -0.219 3.951 4.170 -0.001 0.000 0.242 204 I C 2.333 178.355 176.117 -0.159 0.000 1.088 204 I CA 1.388 62.634 61.300 -0.089 0.000 1.357 204 I CB -0.240 37.746 38.000 -0.022 0.000 1.051 204 I HN 0.348 nan 8.210 nan 0.000 0.409 205 I N 0.781 121.161 120.570 -0.316 0.000 2.439 205 I HA -0.177 3.993 4.170 -0.001 0.000 0.251 205 I C 2.557 178.399 176.117 -0.458 0.000 1.139 205 I CA 1.424 62.447 61.300 -0.462 0.000 1.438 205 I CB -0.409 37.054 38.000 -0.896 0.000 1.085 205 I HN 0.034 nan 8.210 nan 0.000 0.427 206 R N 0.180 120.393 120.500 -0.478 0.000 2.075 206 R HA -0.099 4.241 4.340 -0.001 0.000 0.232 206 R C 1.945 178.176 176.300 -0.116 0.000 1.126 206 R CA 1.501 57.401 56.100 -0.333 0.000 0.963 206 R CB -0.509 29.583 30.300 -0.347 0.000 0.858 206 R HN 0.402 nan 8.270 nan 0.000 0.435 207 N N 0.682 119.318 118.700 -0.106 0.000 2.244 207 N HA -0.090 4.649 4.740 -0.001 0.000 0.183 207 N C 1.599 177.131 175.510 0.036 0.000 1.016 207 N CA 1.270 54.299 53.050 -0.035 0.000 0.866 207 N CB -0.159 38.296 38.487 -0.052 0.000 0.980 207 N HN 0.210 nan 8.380 nan 0.000 0.430 208 A N 0.700 123.565 122.820 0.074 0.000 1.873 208 A HA -0.061 4.258 4.320 -0.001 0.000 0.215 208 A C 1.964 179.740 177.584 0.319 0.000 1.186 208 A CA 0.825 52.986 52.037 0.207 0.000 0.616 208 A CB -0.822 18.291 19.000 0.187 0.000 0.823 208 A HN 0.093 nan 8.150 nan 0.000 0.442 209 F N 0.426 120.368 119.950 -0.014 0.000 2.095 209 F HA -0.182 4.344 4.527 -0.001 0.000 0.298 209 F C 2.836 178.662 175.800 0.042 0.000 1.104 209 F CA 0.841 58.847 58.000 0.010 0.000 1.232 209 F CB -0.869 38.093 39.000 -0.064 0.000 0.987 209 F HN 0.268 nan 8.300 nan 0.000 0.475 210 A N -0.117 122.815 122.820 0.188 0.000 1.877 210 A HA -0.208 4.111 4.320 -0.001 0.000 0.216 210 A C 2.356 179.961 177.584 0.035 0.000 1.186 210 A CA 1.742 53.831 52.037 0.086 0.000 0.620 210 A CB -0.688 18.334 19.000 0.037 0.000 0.822 210 A HN 0.333 nan 8.150 nan 0.000 0.443 211 R N -2.188 118.316 120.500 0.008 0.000 2.115 211 R HA -0.095 4.244 4.340 -0.001 0.000 0.230 211 R C 1.056 177.239 176.300 -0.195 0.000 1.111 211 R CA 1.331 57.364 56.100 -0.113 0.000 0.976 211 R CB -0.297 29.895 30.300 -0.181 0.000 0.870 211 R HN 0.660 nan 8.270 nan 0.000 0.445 212 Y N -0.228 120.048 120.300 -0.040 0.000 2.462 212 Y HA 0.158 4.708 4.550 -0.001 0.000 0.293 212 Y C 1.407 177.263 175.900 -0.073 0.000 1.195 212 Y CA 0.536 58.596 58.100 -0.067 0.000 1.276 212 Y CB 0.524 38.920 38.460 -0.107 0.000 1.082 212 Y HN 0.257 nan 8.280 nan 0.000 0.514 213 G N 0.372 109.196 108.800 0.039 0.000 2.143 213 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.248 213 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.248 213 G C -0.036 174.875 174.900 0.019 0.000 0.991 213 G CA 0.160 45.272 45.100 0.020 0.000 0.689 213 G HN 0.291 nan 8.290 nan 0.000 0.522 214 L N 0.188 121.419 121.223 0.015 0.000 2.387 214 L HA 0.575 4.915 4.340 -0.001 0.000 0.266 214 L C -1.237 175.701 176.870 0.113 0.000 1.059 214 L CA -2.471 52.369 54.840 -0.001 0.000 0.801 214 L CB 0.565 42.484 42.059 -0.234 0.000 1.223 214 L HN -0.090 nan 8.230 nan 0.000 0.456 215 P HA 0.052 nan 4.420 nan 0.000 0.275 215 P C -0.714 176.748 177.300 0.269 0.000 1.270 215 P CA -0.548 62.657 63.100 0.174 0.000 0.791 215 P CB 0.302 32.094 31.700 0.153 0.000 1.089 216 E N 1.067 121.370 120.200 0.171 0.000 2.442 216 E HA 0.043 4.392 4.350 -0.001 0.000 0.262 216 E C -1.821 174.839 176.600 0.101 0.000 1.004 216 E CA -0.925 55.545 56.400 0.116 0.000 0.928 216 E CB -0.603 29.145 29.700 0.079 0.000 0.937 216 E HN 0.346 nan 8.360 nan 0.000 0.446 217 P HA 0.039 nan 4.420 nan 0.000 0.272 217 P C -0.574 176.740 177.300 0.024 0.000 1.223 217 P CA -0.004 62.838 63.100 -0.430 0.000 0.784 217 P CB 0.645 31.588 31.700 -1.262 0.000 0.923 218 K N 1.715 122.229 120.400 0.189 0.000 2.297 218 K HA 0.249 4.568 4.320 -0.001 0.000 0.286 218 K C 0.006 176.641 176.600 0.058 0.000 1.053 218 K CA -0.821 55.547 56.287 0.136 0.000 0.940 218 K CB 0.357 32.945 32.500 0.147 0.000 1.019 218 K HN 0.336 nan 8.250 nan 0.000 0.475 219 L N 3.358 124.484 121.223 -0.163 0.000 2.315 219 L HA 0.174 4.513 4.340 -0.001 0.000 0.283 219 L C 0.932 177.643 176.870 -0.266 0.000 1.089 219 L CA 0.674 55.221 54.840 -0.488 0.000 0.833 219 L CB 0.798 42.483 42.059 -0.623 0.000 1.170 219 L HN 0.809 nan 8.230 nan 0.000 0.442 220 G N 5.491 114.155 108.800 -0.227 0.000 2.497 220 G HA2 0.300 4.260 3.960 -0.001 0.000 0.210 220 G HA3 0.300 4.260 3.960 -0.001 0.000 0.210 220 G C -0.090 174.725 174.900 -0.142 0.000 1.177 220 G CA 0.845 45.866 45.100 -0.132 0.000 0.822 220 G HN 0.657 nan 8.290 nan 0.000 0.550 221 L N -3.031 118.095 121.223 -0.162 0.000 2.765 221 L HA 0.774 5.114 4.340 -0.001 0.000 0.263 221 L C -1.255 175.542 176.870 -0.122 0.000 1.068 221 L CA -1.369 53.392 54.840 -0.131 0.000 0.903 221 L CB 1.759 43.775 42.059 -0.072 0.000 1.512 221 L HN -0.155 nan 8.230 nan 0.000 0.404 222 V N 0.523 120.397 119.914 -0.067 0.000 2.370 222 V HA 0.491 4.610 4.120 -0.001 0.000 0.283 222 V C -0.554 175.534 176.094 -0.010 0.000 1.023 222 V CA -0.261 62.043 62.300 0.007 0.000 0.857 222 V CB 1.234 33.074 31.823 0.027 0.000 0.985 222 V HN 0.925 nan 8.190 nan 0.000 0.443 223 C N 5.016 124.308 119.300 -0.014 0.000 2.362 223 C HA 0.438 4.898 4.460 -0.001 0.000 0.309 223 C C 1.293 176.192 174.990 -0.152 0.000 1.110 223 C CA -0.422 58.555 59.018 -0.070 0.000 1.485 223 C CB -0.260 27.441 27.740 -0.065 0.000 1.949 223 C HN 1.042 nan 8.230 nan 0.000 0.419 224 E N 1.662 121.783 120.200 -0.131 0.000 2.358 224 E HA -0.039 4.310 4.350 -0.001 0.000 0.195 224 E C 0.891 177.346 176.600 -0.242 0.000 1.010 224 E CA 0.316 56.609 56.400 -0.180 0.000 0.856 224 E CB 0.289 29.939 29.700 -0.083 0.000 0.795 224 E HN 0.633 nan 8.360 nan 0.000 0.504 225 S N 0.004 115.600 115.700 -0.173 0.000 2.422 225 S HA 0.092 4.562 4.470 -0.001 0.000 0.283 225 S C 0.400 174.924 174.600 -0.126 0.000 1.163 225 S CA -0.544 57.596 58.200 -0.101 0.000 1.054 225 S CB 0.082 63.264 63.200 -0.031 0.000 0.967 225 S HN 0.050 nan 8.310 nan 0.000 0.499 226 F N 3.924 123.902 119.950 0.046 0.000 2.407 226 F HA 0.065 4.591 4.527 -0.001 0.000 0.299 226 F C 1.731 177.566 175.800 0.057 0.000 1.097 226 F CA 0.329 58.362 58.000 0.055 0.000 1.422 226 F CB -0.316 38.720 39.000 0.060 0.000 1.067 226 F HN 0.583 nan 8.300 nan 0.000 0.539 227 L N 0.373 121.718 121.223 0.204 0.000 2.046 227 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 227 L C 2.308 179.254 176.870 0.126 0.000 1.077 227 L CA 2.089 57.019 54.840 0.151 0.000 0.747 227 L CB -0.982 41.141 42.059 0.107 0.000 0.896 227 L HN 0.029 nan 8.230 nan 0.000 0.432 228 A N -1.204 121.661 122.820 0.075 0.000 2.021 228 A HA -0.044 4.275 4.320 -0.001 0.000 0.216 228 A C 2.135 179.719 177.584 -0.000 0.000 1.163 228 A CA 1.127 53.183 52.037 0.030 0.000 0.676 228 A CB -0.762 18.238 19.000 0.001 0.000 0.818 228 A HN 0.452 nan 8.150 nan 0.000 0.453 229 L N 0.698 121.939 121.223 0.031 0.000 1.989 229 L HA -0.075 4.265 4.340 -0.001 0.000 0.211 229 L C -0.751 176.124 176.870 0.008 0.000 1.071 229 L CA 2.531 57.385 54.840 0.024 0.000 0.749 229 L CB -1.173 40.931 42.059 0.074 0.000 0.890 229 L HN 0.161 nan 8.230 nan 0.000 0.431 230 P HA -0.111 nan 4.420 nan 0.000 0.215 230 P C 1.618 178.741 177.300 -0.294 0.000 1.157 230 P CA 1.861 64.971 63.100 0.016 0.000 0.868 230 P CB -0.427 31.375 31.700 0.170 0.000 0.788 231 G N -0.377 108.021 108.800 -0.670 0.000 2.418 231 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.217 231 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.217 231 G C 1.646 176.255 174.900 -0.485 0.000 1.158 231 G CA 0.701 44.968 45.100 -1.389 0.000 0.771 231 G HN 0.144 nan 8.290 nan 0.000 0.545 232 V N 0.576 120.345 119.914 -0.243 0.000 2.287 232 V HA -0.194 3.925 4.120 -0.001 0.000 0.248 232 V C 3.044 179.094 176.094 -0.073 0.000 1.053 232 V CA 1.660 63.899 62.300 -0.103 0.000 1.027 232 V CB -0.491 31.293 31.823 -0.066 0.000 0.646 232 V HN 0.255 nan 8.190 nan 0.000 0.447 233 V N 0.238 120.101 119.914 -0.085 0.000 2.343 233 V HA -0.227 3.892 4.120 -0.001 0.000 0.247 233 V C 2.684 178.730 176.094 -0.080 0.000 1.051 233 V CA 1.874 64.141 62.300 -0.055 0.000 1.036 233 V CB -1.133 30.678 31.823 -0.019 0.000 0.654 233 V HN 0.563 nan 8.190 nan 0.000 0.451 234 A N -1.268 121.452 122.820 -0.167 0.000 2.019 234 A HA -0.210 4.110 4.320 -0.001 0.000 0.219 234 A C 1.821 179.195 177.584 -0.349 0.000 1.164 234 A CA 1.490 53.387 52.037 -0.233 0.000 0.644 234 A CB -0.557 18.270 19.000 -0.289 0.000 0.805 234 A HN 0.701 nan 8.150 nan 0.000 0.449 235 H N -0.669 118.352 119.070 -0.081 0.000 2.487 235 H HA 0.268 4.823 4.556 -0.001 0.000 0.290 235 H C 0.255 175.562 175.328 -0.036 0.000 1.081 235 H CA 0.654 56.677 56.048 -0.041 0.000 1.116 235 H CB -0.002 29.730 29.762 -0.050 0.000 1.560 235 H HN 0.632 nan 8.280 nan 0.000 0.548 236 S N -0.953 114.760 115.700 0.022 0.000 2.794 236 S HA 0.239 4.709 4.470 -0.001 0.000 0.299 236 S C -0.032 174.571 174.600 0.005 0.000 1.179 236 S CA -0.836 57.370 58.200 0.010 0.000 0.838 236 S CB 2.255 65.455 63.200 -0.001 0.000 1.206 236 S HN -0.052 nan 8.310 nan 0.000 0.523 237 D N 0.454 120.852 120.400 -0.003 0.000 2.368 237 D HA 0.349 4.988 4.640 -0.001 0.000 0.218 237 D C -0.020 176.327 176.300 0.078 0.000 1.112 237 D CA 0.028 54.039 54.000 0.019 0.000 0.834 237 D CB -0.020 40.723 40.800 -0.095 0.000 0.953 237 D HN 0.392 nan 8.370 nan 0.000 0.505 238 L N 0.943 122.162 121.223 -0.008 0.000 2.439 238 L HA 0.217 4.557 4.340 -0.001 0.000 0.269 238 L C 0.609 177.366 176.870 -0.189 0.000 1.179 238 L CA -0.178 54.603 54.840 -0.098 0.000 0.828 238 L CB 0.920 42.939 42.059 -0.067 0.000 1.106 238 L HN -0.259 nan 8.230 nan 0.000 0.467 239 L N 1.556 122.510 121.223 -0.448 0.000 2.375 239 L HA 0.611 4.951 4.340 -0.001 0.000 0.268 239 L C 0.196 176.977 176.870 -0.148 0.000 1.058 239 L CA -0.190 54.315 54.840 -0.557 0.000 0.803 239 L CB 1.787 43.100 42.059 -1.244 0.000 1.212 239 L HN 0.595 nan 8.230 nan 0.000 0.451 240 T N -0.490 114.122 114.554 0.097 0.000 2.812 240 T HA 0.559 4.908 4.350 -0.001 0.000 0.294 240 T C -0.909 174.018 174.700 0.379 0.000 1.159 240 T CA -0.380 61.931 62.100 0.352 0.000 1.008 240 T CB 1.903 70.897 68.868 0.211 0.000 1.289 240 T HN 0.764 nan 8.240 nan 0.000 0.514 241 T N 0.697 115.439 114.554 0.313 0.000 2.885 241 T HA 0.798 5.148 4.350 -0.001 0.000 0.285 241 T C -0.297 174.549 174.700 0.244 0.000 1.019 241 T CA -0.860 61.373 62.100 0.222 0.000 1.010 241 T CB 1.175 70.129 68.868 0.144 0.000 1.022 241 T HN 0.896 nan 8.240 nan 0.000 0.466 242 M N -0.149 119.571 119.600 0.200 0.000 2.578 242 M HA 0.649 5.129 4.480 -0.001 0.000 0.276 242 M C -3.301 173.058 176.300 0.098 0.000 1.245 242 M CA -2.322 53.110 55.300 0.220 0.000 0.871 242 M CB 1.702 34.461 32.600 0.265 0.000 1.722 242 M HN 0.216 nan 8.290 nan 0.000 0.473 243 P HA 0.125 nan 4.420 nan 0.000 0.266 243 P C -0.148 177.196 177.300 0.074 0.000 1.195 243 P CA -0.047 63.056 63.100 0.005 0.000 0.768 243 P CB 0.557 32.207 31.700 -0.084 0.000 0.838 244 R N 1.845 122.406 120.500 0.101 0.000 2.105 244 R HA -0.138 4.201 4.340 -0.001 0.000 0.239 244 R C 1.423 177.826 176.300 0.171 0.000 1.135 244 R CA 2.027 58.224 56.100 0.161 0.000 0.967 244 R CB -0.745 29.639 30.300 0.139 0.000 0.861 244 R HN 0.423 nan 8.270 nan 0.000 0.442 245 T N 1.611 116.231 114.554 0.110 0.000 2.720 245 T HA -0.187 4.163 4.350 -0.001 0.000 0.268 245 T C 1.614 176.345 174.700 0.052 0.000 1.037 245 T CA 1.393 63.532 62.100 0.064 0.000 1.144 245 T CB -0.235 68.646 68.868 0.022 0.000 0.864 245 T HN 0.178 nan 8.240 nan 0.000 0.444 246 L N 0.298 121.551 121.223 0.051 0.000 2.093 246 L HA 0.003 4.342 4.340 -0.001 0.000 0.208 246 L C 2.127 179.076 176.870 0.132 0.000 1.085 246 L CA 1.567 56.446 54.840 0.064 0.000 0.755 246 L CB -0.891 41.187 42.059 0.031 0.000 0.904 246 L HN 0.292 nan 8.230 nan 0.000 0.435 247 Y N 0.754 121.083 120.300 0.049 0.000 2.165 247 Y HA -0.237 4.312 4.550 -0.001 0.000 0.286 247 Y C 2.311 178.243 175.900 0.053 0.000 1.155 247 Y CA 2.206 60.343 58.100 0.061 0.000 1.164 247 Y CB -0.204 38.290 38.460 0.057 0.000 0.978 247 Y HN 0.409 nan 8.280 nan 0.000 0.513 248 E N -0.147 120.000 120.200 -0.089 0.000 2.285 248 E HA -0.037 4.312 4.350 -0.001 0.000 0.194 248 E C 0.369 176.900 176.600 -0.116 0.000 0.997 248 E CA 0.527 56.830 56.400 -0.162 0.000 0.845 248 E CB 0.086 29.770 29.700 -0.028 0.000 0.782 248 E HN 0.333 nan 8.360 nan 0.000 0.491 249 R N 1.348 121.817 120.500 -0.053 0.000 2.585 249 R HA 0.214 4.553 4.340 -0.001 0.000 0.278 249 R C -1.077 175.228 176.300 0.009 0.000 1.663 249 R CA -0.320 55.764 56.100 -0.026 0.000 1.592 249 R CB 0.369 30.661 30.300 -0.014 0.000 1.200 249 R HN 0.144 nan 8.270 nan 0.000 0.611 250 N N -1.592 117.115 118.700 0.011 0.000 2.732 250 N HA 0.335 5.075 4.740 -0.001 0.000 0.259 250 N C -0.119 175.425 175.510 0.056 0.000 1.402 250 N CA -0.915 52.183 53.050 0.080 0.000 0.829 250 N CB 1.188 39.765 38.487 0.150 0.000 1.495 250 N HN 0.018 nan 8.380 nan 0.000 0.511 251 A N -0.699 122.173 122.820 0.087 0.000 2.238 251 A HA 0.270 4.589 4.320 -0.001 0.000 0.208 251 A C -0.028 177.339 177.584 -0.361 0.000 1.177 251 A CA 0.309 52.257 52.037 -0.148 0.000 0.804 251 A CB -0.845 18.007 19.000 -0.247 0.000 0.823 251 A HN 0.560 nan 8.150 nan 0.000 0.482 252 F N -0.568 119.389 119.950 0.012 0.000 2.791 252 F HA 0.264 4.791 4.527 -0.001 0.000 0.308 252 F C 1.492 177.282 175.800 -0.016 0.000 1.138 252 F CA -0.394 57.612 58.000 0.010 0.000 1.294 252 F CB 0.423 39.441 39.000 0.030 0.000 0.975 252 F HN 0.032 nan 8.300 nan 0.000 0.512 253 K N 0.262 120.692 120.400 0.050 0.000 2.063 253 K HA -0.174 4.145 4.320 -0.001 0.000 0.208 253 K C 1.112 177.710 176.600 -0.004 0.000 1.048 253 K CA 1.670 57.940 56.287 -0.029 0.000 0.928 253 K CB -0.105 32.334 32.500 -0.102 0.000 0.713 253 K HN 0.165 nan 8.250 nan 0.000 0.442 254 D N 0.809 121.209 120.400 -0.000 0.000 2.309 254 D HA -0.132 4.507 4.640 -0.001 0.000 0.212 254 D C 1.097 177.419 176.300 0.037 0.000 0.968 254 D CA 1.185 55.191 54.000 0.009 0.000 0.882 254 D CB 0.081 40.878 40.800 -0.005 0.000 0.918 254 D HN 0.347 nan 8.370 nan 0.000 0.503 255 Q N -0.601 119.240 119.800 0.069 0.000 2.194 255 Q HA 0.310 4.649 4.340 -0.001 0.000 0.214 255 Q C -0.037 176.006 176.000 0.071 0.000 0.838 255 Q CA -0.008 55.832 55.803 0.062 0.000 0.972 255 Q CB 1.264 30.042 28.738 0.065 0.000 1.131 255 Q HN 0.153 nan 8.270 nan 0.000 0.498 256 L N -0.359 120.930 121.223 0.110 0.000 2.388 256 L HA 0.602 4.942 4.340 -0.001 0.000 0.264 256 L C -1.059 175.949 176.870 0.230 0.000 0.998 256 L CA -0.976 53.964 54.840 0.166 0.000 0.817 256 L CB 2.428 44.629 42.059 0.237 0.000 1.338 256 L HN -0.046 nan 8.230 nan 0.000 0.414 257 C N 0.742 120.169 119.300 0.211 0.000 2.535 257 C HA 0.509 4.969 4.460 -0.001 0.000 0.319 257 C C 0.326 175.335 174.990 0.032 0.000 1.171 257 C CA -0.935 58.202 59.018 0.199 0.000 1.394 257 C CB 1.853 29.657 27.740 0.107 0.000 1.990 257 C HN 0.893 nan 8.230 nan 0.000 0.466 258 S N 2.712 118.307 115.700 -0.175 0.000 2.593 258 S HA 0.643 5.112 4.470 -0.001 0.000 0.269 258 S C -0.575 173.924 174.600 -0.168 0.000 1.334 258 S CA -0.272 57.672 58.200 -0.426 0.000 1.015 258 S CB 0.367 63.091 63.200 -0.794 0.000 0.912 258 S HN 0.595 nan 8.310 nan 0.000 0.541 259 I N 2.648 123.131 120.570 -0.144 0.000 2.388 259 I HA 0.290 4.459 4.170 -0.001 0.000 0.281 259 I C -2.194 173.887 176.117 -0.061 0.000 1.046 259 I CA -2.217 59.037 61.300 -0.077 0.000 1.187 259 I CB 1.434 39.391 38.000 -0.072 0.000 1.351 259 I HN 0.510 nan 8.210 nan 0.000 0.472 260 P HA 0.199 nan 4.420 nan 0.000 0.252 260 P C -0.192 177.094 177.300 -0.024 0.000 1.727 260 P CA -0.108 62.973 63.100 -0.032 0.000 1.134 260 P CB 0.066 31.755 31.700 -0.018 0.000 1.876 261 L N 1.993 123.199 121.223 -0.028 0.000 2.483 261 L HA 0.053 4.392 4.340 -0.001 0.000 0.276 261 L C 1.996 178.847 176.870 -0.031 0.000 1.213 261 L CA 0.040 54.857 54.840 -0.038 0.000 0.843 261 L CB 0.182 42.205 42.059 -0.059 0.000 1.107 261 L HN 0.261 nan 8.230 nan 0.000 0.487 262 Q N 0.243 120.024 119.800 -0.032 0.000 2.436 262 Q HA -0.037 4.303 4.340 -0.001 0.000 0.209 262 Q C -0.480 175.511 176.000 -0.016 0.000 0.965 262 Q CA 0.402 56.194 55.803 -0.017 0.000 0.910 262 Q CB 0.210 28.942 28.738 -0.010 0.000 0.980 262 Q HN 0.561 nan 8.270 nan 0.000 0.491 263 D N 0.813 121.172 120.400 -0.069 0.000 2.317 263 D HA 0.238 4.878 4.640 -0.001 0.000 0.252 263 D C -0.550 175.743 176.300 -0.011 0.000 1.174 263 D CA 0.049 53.991 54.000 -0.096 0.000 0.866 263 D CB 1.102 41.611 40.800 -0.484 0.000 1.127 263 D HN 0.116 nan 8.370 nan 0.000 0.467 264 A N 3.351 126.251 122.820 0.133 0.000 2.425 264 A HA 0.421 4.741 4.320 -0.001 0.000 0.249 264 A C 0.186 177.861 177.584 0.152 0.000 1.084 264 A CA -0.254 51.853 52.037 0.116 0.000 0.781 264 A CB 0.289 19.352 19.000 0.106 0.000 1.019 264 A HN 0.593 nan 8.150 nan 0.000 0.490 265 L N 2.099 123.376 121.223 0.089 0.000 2.332 265 L HA 0.466 4.805 4.340 -0.001 0.000 0.269 265 L C -2.026 174.884 176.870 0.068 0.000 1.016 265 L CA -2.104 52.791 54.840 0.091 0.000 0.809 265 L CB 0.915 43.010 42.059 0.059 0.000 1.280 265 L HN 0.471 nan 8.230 nan 0.000 0.447 266 P HA 0.167 nan 4.420 nan 0.000 0.272 266 P C -1.357 175.957 177.300 0.023 0.000 1.240 266 P CA -0.355 62.773 63.100 0.046 0.000 0.791 266 P CB 0.354 32.093 31.700 0.064 0.000 0.978 267 N N 0.892 119.594 118.700 0.002 0.000 2.706 267 N HA 0.314 5.054 4.740 -0.001 0.000 0.240 267 N C -2.625 172.858 175.510 -0.045 0.000 1.039 267 N CA -1.254 51.775 53.050 -0.035 0.000 0.888 267 N CB 0.258 38.706 38.487 -0.064 0.000 1.128 267 N HN 0.248 nan 8.380 nan 0.000 0.512 268 P HA 0.073 nan 4.420 nan 0.000 0.271 268 P C -0.536 176.712 177.300 -0.086 0.000 1.216 268 P CA -0.005 63.065 63.100 -0.049 0.000 0.771 268 P CB 0.641 32.323 31.700 -0.030 0.000 0.864 269 T N 4.430 118.927 114.554 -0.095 0.000 2.761 269 T HA 0.328 4.678 4.350 -0.001 0.000 0.296 269 T C 0.615 175.200 174.700 -0.191 0.000 0.934 269 T CA -0.184 61.788 62.100 -0.213 0.000 1.091 269 T CB -0.122 68.545 68.868 -0.335 0.000 0.896 269 T HN 0.195 nan 8.240 nan 0.000 0.515 270 I N 3.892 124.358 120.570 -0.173 0.000 2.371 270 I HA 0.297 4.466 4.170 -0.001 0.000 0.290 270 I C -0.449 175.564 176.117 -0.174 0.000 1.028 270 I CA -0.509 60.764 61.300 -0.045 0.000 1.345 270 I CB 0.372 38.420 38.000 0.080 0.000 1.407 270 I HN 0.580 nan 8.210 nan 0.000 0.501 271 Y N 4.386 124.696 120.300 0.018 0.000 2.487 271 Y HA 0.462 5.011 4.550 -0.001 0.000 0.337 271 Y C 0.020 175.940 175.900 0.034 0.000 1.076 271 Y CA -1.025 57.078 58.100 0.005 0.000 1.115 271 Y CB 1.697 40.135 38.460 -0.038 0.000 1.235 271 Y HN 0.129 nan 8.280 nan 0.000 0.468 272 V N 4.731 124.758 119.914 0.188 0.000 2.408 272 V HA 0.209 4.328 4.120 -0.001 0.000 0.267 272 V C -0.155 176.026 176.094 0.144 0.000 1.047 272 V CA -0.412 61.966 62.300 0.131 0.000 0.937 272 V CB -0.153 31.663 31.823 -0.012 0.000 0.999 272 V HN 0.493 nan 8.190 nan 0.000 0.472 273 L N 7.081 128.407 121.223 0.170 0.000 2.334 273 L HA 0.869 5.208 4.340 -0.001 0.000 0.276 273 L C 0.099 177.066 176.870 0.162 0.000 1.014 273 L CA -0.669 54.242 54.840 0.119 0.000 0.815 273 L CB 1.793 43.904 42.059 0.086 0.000 1.268 273 L HN 0.811 nan 8.230 nan 0.000 0.428 274 R N 1.147 121.718 120.500 0.118 0.000 2.774 274 R HA 0.423 4.763 4.340 -0.001 0.000 0.279 274 R C -1.485 174.858 176.300 0.073 0.000 1.022 274 R CA -1.175 55.001 56.100 0.127 0.000 0.855 274 R CB 1.173 31.566 30.300 0.155 0.000 1.279 274 R HN 0.443 nan 8.270 nan 0.000 0.485 275 R N 1.114 121.640 120.500 0.044 0.000 2.449 275 R HA 0.064 4.404 4.340 -0.001 0.000 0.296 275 R C 0.801 177.078 176.300 -0.039 0.000 1.047 275 R CA 0.266 56.333 56.100 -0.055 0.000 1.018 275 R CB 0.177 30.441 30.300 -0.059 0.000 0.962 275 R HN 0.754 nan 8.270 nan 0.000 0.428 276 H N 1.074 120.170 119.070 0.043 0.000 2.423 276 H HA -0.119 4.437 4.556 -0.001 0.000 0.297 276 H C 0.984 176.335 175.328 0.038 0.000 1.075 276 H CA 1.679 57.748 56.048 0.034 0.000 1.342 276 H CB -0.191 29.582 29.762 0.018 0.000 1.395 276 H HN 0.786 nan 8.280 nan 0.000 0.530 277 D N 0.220 120.626 120.400 0.011 0.000 2.312 277 D HA -0.073 4.566 4.640 -0.001 0.000 0.211 277 D C 0.429 176.765 176.300 0.061 0.000 0.964 277 D CA 0.156 54.206 54.000 0.084 0.000 0.877 277 D CB 0.002 40.807 40.800 0.008 0.000 0.924 277 D HN 0.316 nan 8.370 nan 0.000 0.515 278 L N 1.095 122.352 121.223 0.056 0.000 2.264 278 L HA 0.420 4.760 4.340 -0.001 0.000 0.289 278 L C -2.296 174.657 176.870 0.138 0.000 1.044 278 L CA -2.149 52.743 54.840 0.086 0.000 0.807 278 L CB 0.781 42.891 42.059 0.086 0.000 1.192 278 L HN -0.174 nan 8.230 nan 0.000 0.425 279 P HA 0.122 nan 4.420 nan 0.000 0.267 279 P C -1.205 176.314 177.300 0.365 0.000 1.200 279 P CA -0.159 63.090 63.100 0.249 0.000 0.772 279 P CB 0.671 32.518 31.700 0.245 0.000 0.855 280 V N 2.412 122.484 119.914 0.263 0.000 2.459 280 V HA 0.291 4.410 4.120 -0.001 0.000 0.295 280 V C 0.712 176.792 176.094 -0.022 0.000 1.029 280 V CA -0.589 61.785 62.300 0.124 0.000 0.874 280 V CB 1.405 33.248 31.823 0.035 0.000 0.985 280 V HN 0.730 nan 8.190 nan 0.000 0.438 281 T N 3.165 117.514 114.554 -0.341 0.000 2.900 281 T HA 0.177 4.526 4.350 -0.001 0.000 0.307 281 T C -1.625 172.900 174.700 -0.291 0.000 1.065 281 T CA -1.092 60.618 62.100 -0.650 0.000 1.105 281 T CB 0.973 69.300 68.868 -0.901 0.000 0.979 281 T HN 0.449 nan 8.240 nan 0.000 0.544 282 P HA -0.086 nan 4.420 nan 0.000 0.216 282 P C 1.692 178.878 177.300 -0.189 0.000 1.153 282 P CA 1.669 64.728 63.100 -0.069 0.000 0.858 282 P CB -0.329 31.407 31.700 0.060 0.000 0.789 283 A N -0.157 122.447 122.820 -0.360 0.000 1.898 283 A HA -0.088 4.232 4.320 -0.001 0.000 0.216 283 A C 2.338 179.699 177.584 -0.372 0.000 1.181 283 A CA 2.089 53.687 52.037 -0.732 0.000 0.620 283 A CB -1.563 17.180 19.000 -0.428 0.000 0.819 283 A HN 0.195 nan 8.150 nan 0.000 0.442 284 A N -0.040 122.626 122.820 -0.257 0.000 1.877 284 A HA 0.149 4.468 4.320 -0.001 0.000 0.216 284 A C 2.526 179.947 177.584 -0.273 0.000 1.186 284 A CA 2.157 54.080 52.037 -0.189 0.000 0.620 284 A CB -1.104 17.855 19.000 -0.068 0.000 0.822 284 A HN 1.086 nan 8.150 nan 0.000 0.443 285 A N -0.448 122.241 122.820 -0.217 0.000 1.883 285 A HA 0.043 4.363 4.320 -0.001 0.000 0.217 285 A C 2.435 179.939 177.584 -0.134 0.000 1.186 285 A CA 2.139 54.070 52.037 -0.177 0.000 0.624 285 A CB -1.463 17.477 19.000 -0.100 0.000 0.822 285 A HN 0.779 nan 8.150 nan 0.000 0.444 286 G N -0.471 108.281 108.800 -0.079 0.000 2.418 286 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.217 286 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.217 286 G C 1.471 176.523 174.900 0.252 0.000 1.158 286 G CA 1.175 46.355 45.100 0.134 0.000 0.771 286 G HN 0.494 nan 8.290 nan 0.000 0.545 287 L N 0.769 122.045 121.223 0.089 0.000 2.046 287 L HA 0.102 4.442 4.340 -0.001 0.000 0.208 287 L C 2.627 179.436 176.870 -0.101 0.000 1.077 287 L CA 1.321 56.120 54.840 -0.069 0.000 0.747 287 L CB -0.432 41.227 42.059 -0.666 0.000 0.896 287 L HN 0.265 nan 8.230 nan 0.000 0.432 288 I N -0.961 119.442 120.570 -0.278 0.000 2.315 288 I HA -0.273 3.896 4.170 -0.001 0.000 0.248 288 I C 2.636 178.665 176.117 -0.147 0.000 1.117 288 I CA 0.976 62.083 61.300 -0.321 0.000 1.404 288 I CB -0.314 37.380 38.000 -0.509 0.000 1.071 288 I HN 0.239 nan 8.210 nan 0.000 0.419 289 R N -0.132 120.290 120.500 -0.131 0.000 2.083 289 R HA -0.204 4.135 4.340 -0.001 0.000 0.237 289 R C 2.186 178.407 176.300 -0.131 0.000 1.137 289 R CA 2.077 58.075 56.100 -0.169 0.000 0.951 289 R CB -0.426 29.718 30.300 -0.260 0.000 0.851 289 R HN 0.389 nan 8.270 nan 0.000 0.434 290 W N 0.729 122.066 121.300 0.061 0.000 2.358 290 W HA -0.121 4.538 4.660 -0.001 0.000 0.303 290 W C 2.016 178.637 176.519 0.170 0.000 1.208 290 W CA 0.517 57.945 57.345 0.138 0.000 1.274 290 W CB -0.185 29.411 29.460 0.228 0.000 1.138 290 W HN 0.048 nan 8.180 nan 0.000 0.515 291 I N -0.133 120.616 120.570 0.298 0.000 2.179 291 I HA -0.349 3.820 4.170 -0.001 0.000 0.242 291 I C 2.617 178.810 176.117 0.127 0.000 1.088 291 I CA 1.158 62.569 61.300 0.185 0.000 1.357 291 I CB -0.735 37.299 38.000 0.056 0.000 1.051 291 I HN 0.018 nan 8.210 nan 0.000 0.409 292 Q N -0.087 119.748 119.800 0.058 0.000 2.061 292 Q HA -0.303 4.036 4.340 -0.001 0.000 0.204 292 Q C 2.209 178.230 176.000 0.034 0.000 0.984 292 Q CA 2.086 57.901 55.803 0.021 0.000 0.846 292 Q CB -0.690 28.031 28.738 -0.027 0.000 0.902 292 Q HN 0.614 nan 8.270 nan 0.000 0.421 293 H N 0.127 119.158 119.070 -0.067 0.000 2.352 293 H HA -0.124 4.432 4.556 -0.001 0.000 0.299 293 H C 1.418 176.652 175.328 -0.157 0.000 1.097 293 H CA 1.758 57.715 56.048 -0.152 0.000 1.311 293 H CB 0.072 29.686 29.762 -0.246 0.000 1.377 293 H HN 0.283 nan 8.280 nan 0.000 0.504 294 H N -0.959 118.163 119.070 0.087 0.000 2.539 294 H HA 0.370 4.926 4.556 -0.001 0.000 0.267 294 H C 0.516 175.799 175.328 -0.074 0.000 0.982 294 H CA 0.704 56.748 56.048 -0.006 0.000 1.146 294 H CB 0.219 30.040 29.762 0.100 0.000 1.382 294 H HN 0.422 nan 8.280 nan 0.000 0.577 295 A N 1.250 124.071 122.820 0.002 0.000 3.159 295 A HA 0.435 4.754 4.320 -0.001 0.000 0.301 295 A C -0.044 177.551 177.584 0.018 0.000 1.271 295 A CA -0.315 51.666 52.037 -0.092 0.000 0.998 295 A CB -0.792 18.162 19.000 -0.077 0.000 1.101 295 A HN 0.249 nan 8.150 nan 0.000 0.610 296 L N 0.000 121.224 121.223 0.002 0.000 2.949 296 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 296 L CA 0.000 54.873 54.840 0.054 0.000 0.813 296 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 296 L HN 0.000 nan 8.230 nan 0.000 0.502