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 1ted_1_A DATA FIRST_RESID 22 DATA SEQUENCE AQLPPAPPTT VAVIEGLATG TPRRVVNQSD AADRVAELXX XXGQRERIPR DATA SEQUENCE VYQKSRITTR RMAVDPLDAK FDVFRREPAT IRDRMHLFYE HAVPLAVDVS DATA SEQUENCE KRALAGLPYR AAEIGLLVLA TSTGFIAPGV DVAIVKELGL SPSISRVVVN DATA SEQUENCE FMGCAAAMNA LGTATNYVRA HPAMKALVVC IELCSVNAVF ADDINDVVIH DATA SEQUENCE SLFGDGCAAL VIGASQVQEK LEPGKVVVRS SFSQLLDNTE DGIVLGVNHN DATA SEQUENCE GITCELSENL PGYIFSGVAP VVTEMLWDNG LQISDIDLWA IHPGGPKIIE DATA SEQUENCE QSVRSLGISA ELAAQSWDVL ARFGNMLSVS LIFVLETMVQ QAESAKAIST DATA SEQUENCE GVAFAFGPGV TVEGMLFDII RR 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 22 A HA 0.000 nan 4.320 nan 0.000 0.244 22 A C 0.000 177.582 177.584 -0.003 0.000 1.274 22 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 22 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 23 Q N 1.883 121.681 119.800 -0.002 0.000 2.189 23 Q HA 0.321 4.653 4.340 -0.014 0.000 0.221 23 Q C 0.149 176.147 176.000 -0.003 0.000 0.848 23 Q CA -0.195 55.607 55.803 -0.003 0.000 1.007 23 Q CB 0.338 29.075 28.738 -0.002 0.000 1.116 23 Q HN 0.811 nan 8.270 nan 0.000 0.481 24 L N 1.733 122.954 121.223 -0.003 0.000 2.498 24 L HA -0.006 4.326 4.340 -0.014 0.000 0.293 24 L C -1.796 175.071 176.870 -0.004 0.000 1.271 24 L CA -1.088 53.750 54.840 -0.003 0.000 0.831 24 L CB -0.291 41.765 42.059 -0.004 0.000 1.091 24 L HN 0.018 nan 8.230 nan 0.000 0.535 25 P HA 0.222 nan 4.420 nan 0.000 0.275 25 P C -2.396 174.898 177.300 -0.009 0.000 1.228 25 P CA -0.921 62.176 63.100 -0.006 0.000 0.786 25 P CB -0.080 31.617 31.700 -0.005 0.000 0.927 26 P HA 0.181 nan 4.420 nan 0.000 0.269 26 P C -0.623 176.667 177.300 -0.017 0.000 1.215 26 P CA -0.184 62.907 63.100 -0.015 0.000 0.780 26 P CB 0.279 31.967 31.700 -0.019 0.000 0.898 27 A N 3.460 126.269 122.820 -0.018 0.000 2.498 27 A HA 0.383 4.695 4.320 -0.014 0.000 0.239 27 A C -1.829 175.740 177.584 -0.025 0.000 1.068 27 A CA -0.689 51.337 52.037 -0.019 0.000 0.766 27 A CB -1.320 17.669 19.000 -0.019 0.000 1.003 27 A HN 0.435 nan 8.150 nan 0.000 0.497 28 P HA 0.448 nan 4.420 nan 0.000 0.274 28 P C -2.481 174.797 177.300 -0.036 0.000 1.231 28 P CA -1.063 62.020 63.100 -0.029 0.000 0.790 28 P CB -0.326 31.362 31.700 -0.021 0.000 0.951 29 P HA 0.106 nan 4.420 nan 0.000 0.269 29 P C 0.399 177.676 177.300 -0.038 0.000 1.215 29 P CA 0.101 63.169 63.100 -0.053 0.000 0.780 29 P CB 0.350 32.007 31.700 -0.073 0.000 0.898 30 T N -0.597 113.936 114.554 -0.034 0.000 3.085 30 T HA 0.106 4.447 4.350 -0.014 0.000 0.264 30 T C 0.568 175.255 174.700 -0.022 0.000 1.019 30 T CA 0.084 62.169 62.100 -0.025 0.000 0.910 30 T CB -0.222 68.633 68.868 -0.022 0.000 1.059 30 T HN 0.423 nan 8.240 nan 0.000 0.542 31 T N 1.149 115.686 114.554 -0.027 0.000 2.874 31 T HA 0.591 4.932 4.350 -0.014 0.000 0.281 31 T C -0.491 174.200 174.700 -0.016 0.000 0.994 31 T CA -0.395 61.692 62.100 -0.022 0.000 1.015 31 T CB 0.815 69.665 68.868 -0.031 0.000 1.028 31 T HN -0.021 nan 8.240 nan 0.000 0.523 32 V N 2.668 122.578 119.914 -0.008 0.000 2.555 32 V HA 0.714 4.825 4.120 -0.014 0.000 0.302 32 V C 0.430 176.527 176.094 0.005 0.000 1.038 32 V CA -1.282 61.018 62.300 0.001 0.000 0.887 32 V CB 1.283 33.110 31.823 0.007 0.000 0.991 32 V HN 1.134 nan 8.190 nan 0.000 0.434 33 A N 4.072 126.898 122.820 0.009 0.000 2.401 33 A HA 0.678 4.990 4.320 -0.014 0.000 0.259 33 A C -0.404 177.192 177.584 0.019 0.000 1.103 33 A CA -0.174 51.871 52.037 0.012 0.000 0.789 33 A CB 0.506 19.515 19.000 0.015 0.000 1.035 33 A HN 0.762 nan 8.150 nan 0.000 0.491 34 V N 4.019 123.944 119.914 0.019 0.000 2.588 34 V HA 0.278 4.390 4.120 -0.014 0.000 0.304 34 V C -0.181 175.925 176.094 0.020 0.000 1.042 34 V CA -0.320 61.993 62.300 0.023 0.000 0.877 34 V CB 1.834 33.675 31.823 0.031 0.000 0.996 34 V HN 0.772 nan 8.190 nan 0.000 0.425 35 I N 4.076 124.650 120.570 0.005 0.000 2.347 35 I HA 0.198 4.359 4.170 -0.014 0.000 0.294 35 I C 1.169 177.295 176.117 0.014 0.000 1.090 35 I CA 0.324 61.621 61.300 -0.005 0.000 1.314 35 I CB 0.605 38.577 38.000 -0.047 0.000 1.423 35 I HN 0.758 nan 8.210 nan 0.000 0.503 36 E N 4.464 124.693 120.200 0.048 0.000 2.415 36 E HA 0.180 4.522 4.350 -0.014 0.000 0.197 36 E C 0.860 177.489 176.600 0.048 0.000 1.007 36 E CA -0.148 56.296 56.400 0.074 0.000 0.890 36 E CB 0.677 30.479 29.700 0.171 0.000 0.891 36 E HN 0.748 nan 8.360 nan 0.000 0.496 37 G N 1.303 110.125 108.800 0.036 0.000 2.682 37 G HA2 0.600 4.552 3.960 -0.014 0.000 0.300 37 G HA3 0.600 4.552 3.960 -0.014 0.000 0.300 37 G C -1.769 173.120 174.900 -0.018 0.000 1.391 37 G CA -0.527 44.578 45.100 0.008 0.000 0.990 37 G HN 0.042 nan 8.290 nan 0.000 0.501 38 L N 1.316 122.513 121.223 -0.043 0.000 2.543 38 L HA 0.810 5.142 4.340 -0.014 0.000 0.265 38 L C -0.645 176.172 176.870 -0.087 0.000 0.945 38 L CA -0.703 54.096 54.840 -0.067 0.000 0.869 38 L CB 1.800 43.809 42.059 -0.083 0.000 1.294 38 L HN 0.916 nan 8.230 nan 0.000 0.405 39 A N 2.839 125.601 122.820 -0.097 0.000 2.454 39 A HA 0.926 5.238 4.320 -0.014 0.000 0.302 39 A C -0.906 176.570 177.584 -0.179 0.000 1.079 39 A CA -0.488 51.475 52.037 -0.124 0.000 0.731 39 A CB 2.281 21.229 19.000 -0.086 0.000 1.299 39 A HN 0.573 nan 8.150 nan 0.000 0.413 40 T N -0.251 114.147 114.554 -0.260 0.000 2.900 40 T HA 0.814 5.156 4.350 -0.014 0.000 0.295 40 T C -0.167 174.358 174.700 -0.292 0.000 1.044 40 T CA 0.088 61.922 62.100 -0.443 0.000 0.995 40 T CB 1.965 70.279 68.868 -0.924 0.000 1.072 40 T HN 1.713 nan 8.240 nan 0.000 0.473 41 G N 0.912 109.622 108.800 -0.150 0.000 2.667 41 G HA2 0.642 4.594 3.960 -0.014 0.000 0.294 41 G HA3 0.642 4.594 3.960 -0.014 0.000 0.294 41 G C -0.988 173.999 174.900 0.146 0.000 1.467 41 G CA -0.353 44.748 45.100 0.001 0.000 0.852 41 G HN 0.925 nan 8.290 nan 0.000 0.521 42 T N -1.003 113.630 114.554 0.132 0.000 2.821 42 T HA 0.825 5.166 4.350 -0.014 0.000 0.306 42 T C -3.050 171.711 174.700 0.100 0.000 1.313 42 T CA -1.348 60.833 62.100 0.136 0.000 1.012 42 T CB 2.096 71.097 68.868 0.222 0.000 1.298 42 T HN 0.524 nan 8.240 nan 0.000 0.502 43 P HA 0.295 nan 4.420 nan 0.000 0.271 43 P C 1.013 178.363 177.300 0.084 0.000 1.233 43 P CA -0.237 62.902 63.100 0.065 0.000 0.789 43 P CB 0.315 32.038 31.700 0.039 0.000 0.951 44 R N 1.463 122.006 120.500 0.072 0.000 2.148 44 R HA -0.067 4.264 4.340 -0.014 0.000 0.223 44 R C 1.597 177.938 176.300 0.069 0.000 1.088 44 R CA 1.244 57.387 56.100 0.071 0.000 0.985 44 R CB -1.086 29.248 30.300 0.058 0.000 0.880 44 R HN 0.560 nan 8.270 nan 0.000 0.451 45 R N 0.893 121.432 120.500 0.064 0.000 2.458 45 R HA 0.181 4.513 4.340 -0.014 0.000 0.303 45 R C -1.033 175.303 176.300 0.061 0.000 1.013 45 R CA 0.156 56.291 56.100 0.058 0.000 1.026 45 R CB 0.498 30.831 30.300 0.054 0.000 0.948 45 R HN 0.180 nan 8.270 nan 0.000 0.417 46 V N 6.619 126.565 119.914 0.053 0.000 2.333 46 V HA 0.196 4.308 4.120 -0.014 0.000 0.274 46 V C -0.258 175.861 176.094 0.042 0.000 1.028 46 V CA -0.644 61.683 62.300 0.046 0.000 0.851 46 V CB 1.523 33.365 31.823 0.032 0.000 1.000 46 V HN 0.532 nan 8.190 nan 0.000 0.456 47 V N 5.526 125.469 119.914 0.048 0.000 2.383 47 V HA 0.292 4.404 4.120 -0.014 0.000 0.275 47 V C 0.508 176.630 176.094 0.047 0.000 1.036 47 V CA -0.635 61.697 62.300 0.053 0.000 0.889 47 V CB 1.462 33.330 31.823 0.074 0.000 0.985 47 V HN 0.871 nan 8.190 nan 0.000 0.459 48 N N 3.661 122.383 118.700 0.036 0.000 2.470 48 N HA 0.036 4.768 4.740 -0.014 0.000 0.268 48 N C 0.946 176.482 175.510 0.042 0.000 1.136 48 N CA -0.093 52.974 53.050 0.029 0.000 0.961 48 N CB 1.650 40.147 38.487 0.016 0.000 1.067 48 N HN 0.722 nan 8.380 nan 0.000 0.468 49 Q N 2.656 122.494 119.800 0.062 0.000 2.135 49 Q HA -0.111 4.221 4.340 -0.014 0.000 0.204 49 Q C 1.369 177.401 176.000 0.053 0.000 0.981 49 Q CA 1.869 57.737 55.803 0.108 0.000 0.856 49 Q CB -0.061 28.760 28.738 0.138 0.000 0.902 49 Q HN 0.673 nan 8.270 nan 0.000 0.425 50 S N 0.587 116.301 115.700 0.024 0.000 2.355 50 S HA -0.130 4.332 4.470 -0.014 0.000 0.222 50 S C 1.387 175.954 174.600 -0.056 0.000 1.031 50 S CA 1.242 59.434 58.200 -0.013 0.000 0.993 50 S CB -0.393 62.806 63.200 -0.002 0.000 0.859 50 S HN 0.504 nan 8.310 nan 0.000 0.453 51 D N 1.961 122.340 120.400 -0.035 0.000 2.117 51 D HA -0.045 4.586 4.640 -0.014 0.000 0.197 51 D C 2.198 178.452 176.300 -0.077 0.000 0.987 51 D CA 1.237 55.211 54.000 -0.044 0.000 0.829 51 D CB -0.520 40.271 40.800 -0.016 0.000 0.961 51 D HN 0.380 nan 8.370 nan 0.000 0.460 52 A N 1.532 124.313 122.820 -0.065 0.000 1.892 52 A HA -0.157 4.155 4.320 -0.014 0.000 0.218 52 A C 2.400 179.791 177.584 -0.323 0.000 1.188 52 A CA 2.702 54.686 52.037 -0.087 0.000 0.631 52 A CB -0.884 18.142 19.000 0.042 0.000 0.822 52 A HN 0.259 nan 8.150 nan 0.000 0.447 53 A N -0.039 122.452 122.820 -0.549 0.000 1.883 53 A HA -0.240 4.072 4.320 -0.014 0.000 0.217 53 A C 1.819 179.167 177.584 -0.393 0.000 1.186 53 A CA 1.990 53.515 52.037 -0.853 0.000 0.624 53 A CB -0.697 17.948 19.000 -0.592 0.000 0.822 53 A HN 0.527 nan 8.150 nan 0.000 0.444 54 D N -0.530 119.735 120.400 -0.225 0.000 2.097 54 D HA -0.131 4.501 4.640 -0.014 0.000 0.195 54 D C 2.178 178.401 176.300 -0.127 0.000 0.989 54 D CA 1.281 55.199 54.000 -0.137 0.000 0.827 54 D CB -0.379 40.367 40.800 -0.089 0.000 0.966 54 D HN 0.484 nan 8.370 nan 0.000 0.456 55 R N 0.414 120.838 120.500 -0.127 0.000 2.148 55 R HA -0.022 4.309 4.340 -0.014 0.000 0.227 55 R C 2.340 178.551 176.300 -0.149 0.000 1.103 55 R CA 0.437 56.470 56.100 -0.112 0.000 0.983 55 R CB -0.107 30.144 30.300 -0.081 0.000 0.874 55 R HN 0.097 nan 8.270 nan 0.000 0.451 56 V N 0.807 120.620 119.914 -0.168 0.000 2.535 56 V HA -0.086 4.026 4.120 -0.014 0.000 0.246 56 V C 2.380 178.407 176.094 -0.112 0.000 1.045 56 V CA 1.572 63.780 62.300 -0.154 0.000 1.058 56 V CB -0.361 31.447 31.823 -0.026 0.000 0.689 56 V HN 0.328 nan 8.190 nan 0.000 0.461 57 A N -0.026 122.726 122.820 -0.114 0.000 2.024 57 A HA -0.246 4.066 4.320 -0.014 0.000 0.220 57 A C 2.120 179.667 177.584 -0.062 0.000 1.164 57 A CA 1.836 53.832 52.037 -0.069 0.000 0.643 57 A CB -0.399 18.556 19.000 -0.074 0.000 0.806 57 A HN 0.651 nan 8.150 nan 0.000 0.451 58 E N -0.145 120.007 120.200 -0.080 0.000 2.150 58 E HA -0.016 4.326 4.350 -0.014 0.000 0.193 58 E C 0.475 177.032 176.600 -0.071 0.000 0.985 58 E CA 0.039 56.398 56.400 -0.068 0.000 0.814 58 E CB -0.288 29.369 29.700 -0.071 0.000 0.752 58 E HN 0.620 nan 8.360 nan 0.000 0.466 65 Q N 0.006 119.806 119.800 0.001 0.000 2.560 65 Q HA 0.668 5.000 4.340 -0.014 0.000 0.238 65 Q C 0.706 176.710 176.000 0.006 0.000 1.079 65 Q CA 0.494 56.298 55.803 0.002 0.000 0.866 65 Q CB 0.165 28.904 28.738 0.003 0.000 1.153 65 Q HN 1.564 nan 8.270 nan 0.000 0.530 66 R N 0.954 121.457 120.500 0.004 0.000 2.404 66 R HA 0.068 4.399 4.340 -0.014 0.000 0.236 66 R C 1.030 177.340 176.300 0.017 0.000 1.044 66 R CA 0.636 56.742 56.100 0.009 0.000 1.133 66 R CB -0.596 29.704 30.300 0.000 0.000 1.142 66 R HN 0.761 nan 8.270 nan 0.000 0.512 67 E N 0.834 121.043 120.200 0.015 0.000 2.265 67 E HA -0.179 4.163 4.350 -0.014 0.000 0.196 67 E C 1.622 178.242 176.600 0.034 0.000 0.996 67 E CA 0.942 57.353 56.400 0.020 0.000 0.832 67 E CB -0.115 29.593 29.700 0.014 0.000 0.756 67 E HN 0.678 nan 8.360 nan 0.000 0.491 68 R N 0.345 120.866 120.500 0.035 0.000 2.105 68 R HA -0.106 4.226 4.340 -0.014 0.000 0.239 68 R C 2.347 178.696 176.300 0.083 0.000 1.135 68 R CA 1.014 57.141 56.100 0.045 0.000 0.967 68 R CB -0.249 30.072 30.300 0.034 0.000 0.861 68 R HN 0.140 nan 8.270 nan 0.000 0.442 69 I N 0.846 121.480 120.570 0.106 0.000 2.113 69 I HA -0.139 4.022 4.170 -0.014 0.000 0.238 69 I C -0.669 175.603 176.117 0.258 0.000 1.070 69 I CA 1.292 62.715 61.300 0.205 0.000 1.332 69 I CB -2.156 35.918 38.000 0.125 0.000 1.044 69 I HN -0.020 nan 8.210 nan 0.000 0.402 70 P HA -0.165 nan 4.420 nan 0.000 0.216 70 P C 1.757 179.140 177.300 0.137 0.000 1.154 70 P CA 1.783 64.948 63.100 0.110 0.000 0.865 70 P CB -0.097 31.632 31.700 0.048 0.000 0.789 71 R N -0.749 119.812 120.500 0.102 0.000 2.061 71 R HA -0.028 4.303 4.340 -0.014 0.000 0.230 71 R C 1.858 178.203 176.300 0.076 0.000 1.140 71 R CA 1.029 57.172 56.100 0.073 0.000 0.940 71 R CB -1.536 28.790 30.300 0.044 0.000 0.839 71 R HN 0.039 nan 8.270 nan 0.000 0.429 72 V N 1.157 121.113 119.914 0.070 0.000 3.488 72 V HA -0.126 3.986 4.120 -0.014 0.000 0.286 72 V C -0.075 175.948 176.094 -0.119 0.000 1.206 72 V CA 1.317 63.606 62.300 -0.017 0.000 1.238 72 V CB -0.643 31.155 31.823 -0.042 0.000 1.004 72 V HN 0.323 nan 8.190 nan 0.000 0.445 73 Y N -0.716 119.601 120.300 0.029 0.000 2.589 73 Y HA 0.087 4.629 4.550 -0.013 0.000 0.274 73 Y C 2.236 178.156 175.900 0.033 0.000 1.177 73 Y CA 0.484 58.605 58.100 0.037 0.000 1.123 73 Y CB 0.198 38.680 38.460 0.037 0.000 1.330 73 Y HN 0.407 nan 8.280 nan 0.000 0.518 74 Q N 0.183 120.086 119.800 0.172 0.000 2.435 74 Q HA 0.095 4.427 4.340 -0.014 0.000 0.207 74 Q C 1.448 177.488 176.000 0.067 0.000 0.956 74 Q CA 1.301 57.166 55.803 0.104 0.000 0.917 74 Q CB -0.202 28.581 28.738 0.074 0.000 0.997 74 Q HN 0.293 nan 8.270 nan 0.000 0.497 75 K N 1.281 121.714 120.400 0.055 0.000 2.387 75 K HA 0.157 4.469 4.320 -0.014 0.000 0.198 75 K C 1.712 178.337 176.600 0.041 0.000 1.022 75 K CA 0.592 56.902 56.287 0.037 0.000 1.128 75 K CB 0.118 32.632 32.500 0.023 0.000 0.853 75 K HN 0.465 nan 8.250 nan 0.000 0.523 76 S N 0.256 115.980 115.700 0.039 0.000 2.436 76 S HA -0.057 4.405 4.470 -0.014 0.000 0.228 76 S C 1.108 175.768 174.600 0.100 0.000 1.014 76 S CA 0.553 58.777 58.200 0.040 0.000 0.950 76 S CB -0.222 62.978 63.200 0.000 0.000 0.784 76 S HN 0.585 nan 8.310 nan 0.000 0.504 77 R N 0.065 120.626 120.500 0.102 0.000 3.656 77 R HA -0.084 4.248 4.340 -0.014 0.000 0.297 77 R C -1.026 175.354 176.300 0.133 0.000 1.166 77 R CA 0.892 57.066 56.100 0.124 0.000 0.799 77 R CB -2.581 27.848 30.300 0.215 0.000 1.285 77 R HN 0.531 nan 8.270 nan 0.000 0.477 78 I N -0.596 120.036 120.570 0.104 0.000 2.433 78 I HA 0.176 4.337 4.170 -0.014 0.000 0.292 78 I C 1.324 177.485 176.117 0.074 0.000 1.001 78 I CA -0.443 60.911 61.300 0.091 0.000 1.119 78 I CB 2.129 40.185 38.000 0.093 0.000 1.289 78 I HN -0.056 nan 8.210 nan 0.000 0.438 79 T N 2.183 116.763 114.554 0.042 0.000 3.046 79 T HA 0.099 4.441 4.350 -0.014 0.000 0.242 79 T C 0.511 175.219 174.700 0.014 0.000 1.018 79 T CA 0.655 62.769 62.100 0.025 0.000 1.131 79 T CB 0.313 69.181 68.868 0.001 0.000 0.904 79 T HN 0.793 nan 8.240 nan 0.000 0.459 80 T N 0.819 115.364 114.554 -0.016 0.000 2.816 80 T HA 0.761 5.102 4.350 -0.014 0.000 0.299 80 T C -1.634 173.050 174.700 -0.028 0.000 1.230 80 T CA -1.269 60.817 62.100 -0.024 0.000 1.007 80 T CB 2.666 71.493 68.868 -0.068 0.000 1.289 80 T HN 0.450 nan 8.240 nan 0.000 0.508 81 R N -0.402 120.106 120.500 0.014 0.000 2.664 81 R HA 0.697 5.029 4.340 -0.014 0.000 0.266 81 R C -1.478 174.875 176.300 0.088 0.000 1.046 81 R CA -1.317 54.822 56.100 0.064 0.000 0.885 81 R CB 1.110 31.463 30.300 0.089 0.000 1.254 81 R HN 0.434 nan 8.270 nan 0.000 0.465 82 R N 1.821 122.403 120.500 0.137 0.000 2.486 82 R HA 0.559 4.890 4.340 -0.014 0.000 0.286 82 R C -0.385 175.956 176.300 0.069 0.000 0.999 82 R CA -0.648 55.523 56.100 0.117 0.000 0.993 82 R CB 1.073 31.478 30.300 0.176 0.000 1.084 82 R HN 0.696 nan 8.270 nan 0.000 0.487 83 M N 0.843 120.468 119.600 0.042 0.000 2.324 83 M HA 0.333 4.804 4.480 -0.014 0.000 0.288 83 M C 0.565 176.838 176.300 -0.045 0.000 1.097 83 M CA -0.667 54.631 55.300 -0.005 0.000 0.928 83 M CB 2.460 35.060 32.600 0.001 0.000 1.648 83 M HN 0.711 nan 8.290 nan 0.000 0.460 84 A N 2.606 125.354 122.820 -0.121 0.000 1.969 84 A HA 0.164 4.476 4.320 -0.014 0.000 0.218 84 A C 0.718 178.079 177.584 -0.371 0.000 1.169 84 A CA 1.189 53.080 52.037 -0.243 0.000 0.635 84 A CB 0.212 18.990 19.000 -0.370 0.000 0.810 84 A HN 0.542 nan 8.150 nan 0.000 0.445 85 V N 0.315 120.039 119.914 -0.317 0.000 2.769 85 V HA 0.313 4.424 4.120 -0.014 0.000 0.312 85 V C -1.184 174.840 176.094 -0.117 0.000 1.061 85 V CA -0.823 61.310 62.300 -0.278 0.000 0.931 85 V CB 1.949 33.432 31.823 -0.567 0.000 1.010 85 V HN 0.369 nan 8.190 nan 0.000 0.433 86 D N 5.636 126.062 120.400 0.044 0.000 2.479 86 D HA 0.271 4.903 4.640 -0.014 0.000 0.218 86 D C -1.320 175.085 176.300 0.175 0.000 1.131 86 D CA -1.906 52.173 54.000 0.132 0.000 0.916 86 D CB 1.795 42.713 40.800 0.198 0.000 1.022 86 D HN 0.247 nan 8.370 nan 0.000 0.515 87 P HA -0.167 nan 4.420 nan 0.000 0.217 87 P C 1.323 178.818 177.300 0.324 0.000 1.148 87 P CA 0.879 64.117 63.100 0.230 0.000 0.834 87 P CB 0.413 32.334 31.700 0.369 0.000 0.783 88 L N -1.121 120.235 121.223 0.223 0.000 2.592 88 L HA 0.180 4.511 4.340 -0.014 0.000 0.227 88 L C 1.281 178.232 176.870 0.135 0.000 1.127 88 L CA -0.313 54.587 54.840 0.100 0.000 0.884 88 L CB -0.748 41.306 42.059 -0.008 0.000 1.065 88 L HN -0.016 nan 8.230 nan 0.000 0.457 89 D N 1.035 121.577 120.400 0.236 0.000 2.443 89 D HA -0.045 4.587 4.640 -0.014 0.000 0.234 89 D C 1.184 177.557 176.300 0.122 0.000 1.172 89 D CA 0.713 54.829 54.000 0.193 0.000 0.878 89 D CB 1.634 42.611 40.800 0.295 0.000 1.204 89 D HN 0.130 nan 8.370 nan 0.000 0.453 90 A N 4.721 127.569 122.820 0.048 0.000 1.892 90 A HA -0.280 4.032 4.320 -0.014 0.000 0.218 90 A C 2.037 179.619 177.584 -0.004 0.000 1.188 90 A CA 2.609 54.656 52.037 0.017 0.000 0.631 90 A CB -0.527 18.470 19.000 -0.004 0.000 0.822 90 A HN 0.814 nan 8.150 nan 0.000 0.447 91 K N -1.561 118.784 120.400 -0.092 0.000 1.973 91 K HA -0.138 4.174 4.320 -0.014 0.000 0.212 91 K C 1.641 178.173 176.600 -0.115 0.000 1.047 91 K CA 1.820 57.984 56.287 -0.204 0.000 0.937 91 K CB -0.805 31.411 32.500 -0.473 0.000 0.721 91 K HN 0.270 nan 8.250 nan 0.000 0.440 92 F N 2.450 122.471 119.950 0.118 0.000 2.250 92 F HA -0.131 4.390 4.527 -0.011 0.000 0.301 92 F C 2.031 177.967 175.800 0.227 0.000 1.077 92 F CA 1.170 59.298 58.000 0.215 0.000 1.348 92 F CB -0.652 38.477 39.000 0.215 0.000 1.040 92 F HN 0.181 nan 8.300 nan 0.000 0.509 93 D N -0.029 120.544 120.400 0.289 0.000 2.384 93 D HA -0.083 4.549 4.640 -0.014 0.000 0.222 93 D C 2.041 178.437 176.300 0.161 0.000 0.976 93 D CA 0.650 54.763 54.000 0.189 0.000 0.915 93 D CB 0.242 41.100 40.800 0.096 0.000 0.896 93 D HN 0.156 nan 8.370 nan 0.000 0.523 94 V N -0.200 119.825 119.914 0.185 0.000 3.431 94 V HA -0.015 4.097 4.120 -0.014 0.000 0.253 94 V C 1.671 177.898 176.094 0.223 0.000 1.184 94 V CA 0.249 62.642 62.300 0.155 0.000 1.104 94 V CB -0.142 31.751 31.823 0.116 0.000 0.799 94 V HN 0.079 nan 8.190 nan 0.000 0.462 95 F N 1.218 121.252 119.950 0.140 0.000 2.446 95 F HA 0.177 4.695 4.527 -0.016 0.000 0.292 95 F C 2.257 178.165 175.800 0.181 0.000 1.096 95 F CA 0.842 58.943 58.000 0.169 0.000 1.438 95 F CB 0.033 39.176 39.000 0.238 0.000 1.107 95 F HN -0.079 nan 8.300 nan 0.000 0.546 96 R N 0.702 121.329 120.500 0.211 0.000 2.152 96 R HA -0.002 4.329 4.340 -0.014 0.000 0.232 96 R C 1.894 178.212 176.300 0.029 0.000 1.117 96 R CA 1.203 57.372 56.100 0.115 0.000 0.981 96 R CB -0.427 30.043 30.300 0.283 0.000 0.870 96 R HN 0.255 nan 8.270 nan 0.000 0.451 97 R N 0.041 120.566 120.500 0.041 0.000 2.334 97 R HA 0.127 4.459 4.340 -0.014 0.000 0.216 97 R C -0.243 176.061 176.300 0.008 0.000 0.905 97 R CA 0.039 56.159 56.100 0.034 0.000 1.064 97 R CB 0.434 30.766 30.300 0.053 0.000 1.046 97 R HN 0.279 nan 8.270 nan 0.000 0.508 98 E N 2.066 122.238 120.200 -0.047 0.000 2.313 98 E HA 0.213 4.555 4.350 -0.014 0.000 0.272 98 E C -2.240 174.350 176.600 -0.016 0.000 1.038 98 E CA -1.925 54.459 56.400 -0.027 0.000 0.863 98 E CB 1.104 30.789 29.700 -0.024 0.000 1.060 98 E HN -0.024 nan 8.360 nan 0.000 0.402 99 P HA 0.156 nan 4.420 nan 0.000 0.281 99 P C -0.565 176.845 177.300 0.183 0.000 1.264 99 P CA -0.142 63.087 63.100 0.215 0.000 0.824 99 P CB 1.044 32.788 31.700 0.072 0.000 1.092 100 A N 0.432 123.460 122.820 0.347 0.000 2.872 100 A HA -0.150 4.161 4.320 -0.014 0.000 0.273 100 A C 0.939 178.595 177.584 0.120 0.000 1.442 100 A CA 1.517 53.663 52.037 0.183 0.000 0.801 100 A CB -2.995 16.061 19.000 0.095 0.000 1.031 100 A HN 0.722 nan 8.150 nan 0.000 0.582 101 T N -3.206 111.384 114.554 0.060 0.000 3.122 101 T HA 0.332 4.673 4.350 -0.014 0.000 0.250 101 T C 1.389 176.160 174.700 0.118 0.000 1.067 101 T CA 0.642 62.775 62.100 0.055 0.000 0.966 101 T CB -0.124 68.575 68.868 -0.281 0.000 1.002 101 T HN 0.914 nan 8.240 nan 0.000 0.542 102 I N 2.203 122.821 120.570 0.081 0.000 2.194 102 I HA -0.132 4.030 4.170 -0.014 0.000 0.246 102 I C 2.461 178.642 176.117 0.106 0.000 1.093 102 I CA 1.376 62.720 61.300 0.073 0.000 1.355 102 I CB -0.337 37.696 38.000 0.056 0.000 1.046 102 I HN 0.128 nan 8.210 nan 0.000 0.413 103 R N 0.872 121.448 120.500 0.126 0.000 2.081 103 R HA -0.158 4.173 4.340 -0.014 0.000 0.235 103 R C 1.844 178.275 176.300 0.219 0.000 1.131 103 R CA 1.929 58.107 56.100 0.130 0.000 0.960 103 R CB -0.794 29.591 30.300 0.143 0.000 0.856 103 R HN 0.408 nan 8.270 nan 0.000 0.436 104 D N -0.414 120.165 120.400 0.299 0.000 2.178 104 D HA -0.073 4.558 4.640 -0.014 0.000 0.202 104 D C 1.814 178.326 176.300 0.354 0.000 0.974 104 D CA 0.932 55.152 54.000 0.366 0.000 0.841 104 D CB -0.051 40.993 40.800 0.407 0.000 0.953 104 D HN 0.254 nan 8.370 nan 0.000 0.478 105 R N -0.221 120.481 120.500 0.336 0.000 2.115 105 R HA 0.052 4.384 4.340 -0.014 0.000 0.226 105 R C 2.101 178.527 176.300 0.210 0.000 1.100 105 R CA 0.660 56.928 56.100 0.281 0.000 0.980 105 R CB 0.012 30.441 30.300 0.214 0.000 0.875 105 R HN 0.150 nan 8.270 nan 0.000 0.445 106 M N -0.359 119.322 119.600 0.135 0.000 2.254 106 M HA -0.079 4.392 4.480 -0.014 0.000 0.265 106 M C 1.771 178.178 176.300 0.179 0.000 1.066 106 M CA 1.552 56.901 55.300 0.082 0.000 1.123 106 M CB -0.773 31.793 32.600 -0.057 0.000 1.388 106 M HN 0.172 nan 8.290 nan 0.000 0.425 107 H N 0.188 119.382 119.070 0.207 0.000 2.389 107 H HA 0.060 4.608 4.556 -0.013 0.000 0.299 107 H C 2.296 177.770 175.328 0.243 0.000 1.081 107 H CA 1.108 57.278 56.048 0.204 0.000 1.345 107 H CB -0.170 29.670 29.762 0.131 0.000 1.393 107 H HN 0.305 nan 8.280 nan 0.000 0.520 108 L N -0.024 121.407 121.223 0.346 0.000 2.083 108 L HA -0.204 4.127 4.340 -0.014 0.000 0.209 108 L C 2.478 179.542 176.870 0.323 0.000 1.083 108 L CA 0.998 56.021 54.840 0.305 0.000 0.752 108 L CB -0.387 41.819 42.059 0.246 0.000 0.899 108 L HN 0.147 nan 8.230 nan 0.000 0.433 109 F N -0.484 119.563 119.950 0.163 0.000 2.075 109 F HA -0.334 4.179 4.527 -0.024 0.000 0.297 109 F C 2.482 178.372 175.800 0.151 0.000 1.113 109 F CA 1.772 59.841 58.000 0.115 0.000 1.218 109 F CB -0.625 38.398 39.000 0.038 0.000 0.984 109 F HN 0.015 nan 8.300 nan 0.000 0.472 110 Y N 1.378 121.769 120.300 0.153 0.000 2.128 110 Y HA -0.275 4.267 4.550 -0.013 0.000 0.284 110 Y C 2.669 178.526 175.900 -0.071 0.000 1.154 110 Y CA 2.373 60.489 58.100 0.026 0.000 1.149 110 Y CB -0.899 37.655 38.460 0.156 0.000 0.976 110 Y HN 0.358 nan 8.280 nan 0.000 0.505 111 E N -1.161 119.095 120.200 0.093 0.000 2.097 111 E HA -0.314 4.028 4.350 -0.014 0.000 0.196 111 E C 1.669 178.086 176.600 -0.305 0.000 1.000 111 E CA 2.119 58.463 56.400 -0.093 0.000 0.804 111 E CB -0.244 29.426 29.700 -0.051 0.000 0.740 111 E HN 0.717 nan 8.360 nan 0.000 0.454 112 H N -1.261 117.712 119.070 -0.162 0.000 2.520 112 H HA 0.235 4.781 4.556 -0.015 0.000 0.279 112 H C 1.712 176.862 175.328 -0.297 0.000 0.990 112 H CA 0.805 56.743 56.048 -0.184 0.000 1.288 112 H CB 0.247 29.933 29.762 -0.127 0.000 1.446 112 H HN 0.251 nan 8.280 nan 0.000 0.538 113 A N 0.526 123.105 122.820 -0.401 0.000 1.898 113 A HA -0.113 4.199 4.320 -0.014 0.000 0.216 113 A C 2.387 179.748 177.584 -0.372 0.000 1.181 113 A CA 1.404 53.123 52.037 -0.529 0.000 0.620 113 A CB -0.822 17.505 19.000 -1.122 0.000 0.819 113 A HN 0.202 nan 8.150 nan 0.000 0.442 114 V N 0.719 120.362 119.914 -0.451 0.000 2.231 114 V HA -0.219 3.893 4.120 -0.014 0.000 0.248 114 V C 0.047 176.005 176.094 -0.226 0.000 1.054 114 V CA 2.755 64.825 62.300 -0.382 0.000 1.015 114 V CB -1.770 29.722 31.823 -0.551 0.000 0.638 114 V HN 0.377 nan 8.190 nan 0.000 0.444 115 P HA -0.172 nan 4.420 nan 0.000 0.215 115 P C 1.916 179.161 177.300 -0.091 0.000 1.157 115 P CA 1.352 64.378 63.100 -0.123 0.000 0.874 115 P CB -0.109 31.525 31.700 -0.110 0.000 0.790 116 L N -0.568 120.599 121.223 -0.093 0.000 2.056 116 L HA -0.064 4.268 4.340 -0.014 0.000 0.207 116 L C 2.210 179.043 176.870 -0.062 0.000 1.078 116 L CA 2.078 56.881 54.840 -0.062 0.000 0.749 116 L CB -1.520 40.507 42.059 -0.054 0.000 0.901 116 L HN -0.125 nan 8.230 nan 0.000 0.433 117 A N -1.413 121.355 122.820 -0.087 0.000 1.929 117 A HA -0.087 4.224 4.320 -0.014 0.000 0.216 117 A C 2.244 179.796 177.584 -0.054 0.000 1.176 117 A CA 1.645 53.644 52.037 -0.064 0.000 0.628 117 A CB -0.959 17.998 19.000 -0.072 0.000 0.816 117 A HN 0.280 nan 8.150 nan 0.000 0.444 118 V N 0.766 120.640 119.914 -0.067 0.000 2.343 118 V HA -0.248 3.864 4.120 -0.014 0.000 0.247 118 V C 2.408 178.477 176.094 -0.041 0.000 1.051 118 V CA 2.485 64.754 62.300 -0.052 0.000 1.036 118 V CB -0.712 31.075 31.823 -0.060 0.000 0.654 118 V HN 0.743 nan 8.190 nan 0.000 0.451 119 D N 0.146 120.520 120.400 -0.043 0.000 2.084 119 D HA -0.147 4.485 4.640 -0.014 0.000 0.194 119 D C 2.015 178.295 176.300 -0.033 0.000 0.990 119 D CA 1.703 55.683 54.000 -0.034 0.000 0.826 119 D CB -0.177 40.605 40.800 -0.031 0.000 0.971 119 D HN 0.211 nan 8.370 nan 0.000 0.453 120 V N 0.207 120.100 119.914 -0.035 0.000 2.343 120 V HA -0.202 3.909 4.120 -0.014 0.000 0.247 120 V C 2.666 178.739 176.094 -0.035 0.000 1.051 120 V CA 1.821 64.098 62.300 -0.038 0.000 1.036 120 V CB -0.730 31.073 31.823 -0.033 0.000 0.654 120 V HN 0.198 nan 8.190 nan 0.000 0.451 121 S N -0.429 115.254 115.700 -0.029 0.000 2.370 121 S HA -0.253 4.209 4.470 -0.014 0.000 0.226 121 S C 1.999 176.588 174.600 -0.018 0.000 1.033 121 S CA 1.688 59.875 58.200 -0.021 0.000 1.011 121 S CB -0.293 62.895 63.200 -0.019 0.000 0.852 121 S HN 0.594 nan 8.310 nan 0.000 0.457 122 K N 0.822 121.209 120.400 -0.022 0.000 2.057 122 K HA -0.014 4.298 4.320 -0.014 0.000 0.207 122 K C 2.384 178.970 176.600 -0.024 0.000 1.049 122 K CA 1.001 57.276 56.287 -0.019 0.000 0.931 122 K CB -0.147 32.340 32.500 -0.021 0.000 0.714 122 K HN 0.260 nan 8.250 nan 0.000 0.440 123 R N 0.334 120.815 120.500 -0.031 0.000 2.120 123 R HA -0.085 4.246 4.340 -0.014 0.000 0.234 123 R C 2.307 178.583 176.300 -0.039 0.000 1.123 123 R CA 1.222 57.299 56.100 -0.039 0.000 0.975 123 R CB -0.322 29.948 30.300 -0.050 0.000 0.866 123 R HN 0.171 nan 8.270 nan 0.000 0.446 124 A N 0.893 123.693 122.820 -0.034 0.000 1.968 124 A HA -0.040 4.271 4.320 -0.014 0.000 0.217 124 A C 2.044 179.622 177.584 -0.010 0.000 1.169 124 A CA 0.957 52.978 52.037 -0.027 0.000 0.638 124 A CB -0.178 18.809 19.000 -0.022 0.000 0.812 124 A HN 0.168 nan 8.150 nan 0.000 0.446 125 L N -1.307 119.914 121.223 -0.004 0.000 2.307 125 L HA 0.063 4.394 4.340 -0.014 0.000 0.211 125 L C 2.891 179.745 176.870 -0.026 0.000 1.099 125 L CA 0.536 55.381 54.840 0.008 0.000 0.816 125 L CB -0.404 41.670 42.059 0.025 0.000 0.952 125 L HN 0.373 nan 8.230 nan 0.000 0.455 126 A N 0.879 123.681 122.820 -0.031 0.000 1.929 126 A HA -0.294 4.017 4.320 -0.014 0.000 0.221 126 A C 2.257 179.806 177.584 -0.058 0.000 1.211 126 A CA 2.401 54.414 52.037 -0.040 0.000 0.657 126 A CB -1.344 17.634 19.000 -0.037 0.000 0.827 126 A HN 0.459 nan 8.150 nan 0.000 0.462 127 G N -1.852 106.907 108.800 -0.069 0.000 2.777 127 G HA2 0.358 4.310 3.960 -0.014 0.000 0.211 127 G HA3 0.358 4.310 3.960 -0.014 0.000 0.211 127 G C 0.438 175.252 174.900 -0.143 0.000 1.149 127 G CA -0.099 44.948 45.100 -0.088 0.000 0.785 127 G HN 0.284 nan 8.290 nan 0.000 0.536 128 L N 1.153 122.259 121.223 -0.195 0.000 2.418 128 L HA 0.296 4.627 4.340 -0.014 0.000 0.265 128 L C -1.072 175.571 176.870 -0.378 0.000 1.143 128 L CA -1.952 52.641 54.840 -0.412 0.000 0.809 128 L CB 0.954 42.641 42.059 -0.619 0.000 1.124 128 L HN -0.020 nan 8.230 nan 0.000 0.456 129 P HA 0.021 nan 4.420 nan 0.000 0.257 129 P C -0.461 176.774 177.300 -0.109 0.000 1.281 129 P CA -0.088 62.873 63.100 -0.231 0.000 0.826 129 P CB 0.183 31.779 31.700 -0.172 0.000 1.237 130 Y N 1.156 121.456 120.300 0.000 0.000 2.544 130 Y HA 0.233 4.773 4.550 -0.018 0.000 0.330 130 Y C 1.502 177.403 175.900 0.002 0.000 1.136 130 Y CA -0.680 57.423 58.100 0.004 0.000 1.417 130 Y CB -0.136 38.328 38.460 0.007 0.000 1.229 130 Y HN -0.127 nan 8.280 nan 0.000 0.532 131 R N 1.577 122.178 120.500 0.169 0.000 2.577 131 R HA 0.553 4.885 4.340 -0.014 0.000 0.269 131 R C 1.120 177.468 176.300 0.079 0.000 1.084 131 R CA 0.371 56.525 56.100 0.089 0.000 1.163 131 R CB 0.569 30.907 30.300 0.063 0.000 1.100 131 R HN 0.774 nan 8.270 nan 0.000 0.547 132 A N 2.455 125.305 122.820 0.049 0.000 1.948 132 A HA -0.184 4.128 4.320 -0.014 0.000 0.220 132 A C 1.938 179.537 177.584 0.025 0.000 1.177 132 A CA 2.164 54.222 52.037 0.034 0.000 0.636 132 A CB -1.117 17.896 19.000 0.021 0.000 0.815 132 A HN 0.783 nan 8.150 nan 0.000 0.449 133 A N -0.349 122.485 122.820 0.024 0.000 2.121 133 A HA -0.111 4.200 4.320 -0.014 0.000 0.218 133 A C 1.764 179.357 177.584 0.015 0.000 1.154 133 A CA 1.429 53.476 52.037 0.016 0.000 0.679 133 A CB -0.423 18.587 19.000 0.016 0.000 0.795 133 A HN 0.683 nan 8.150 nan 0.000 0.458 134 E N -0.564 119.649 120.200 0.021 0.000 2.371 134 E HA 0.087 4.429 4.350 -0.014 0.000 0.194 134 E C -0.213 176.378 176.600 -0.015 0.000 1.012 134 E CA 0.054 56.454 56.400 -0.001 0.000 0.860 134 E CB 0.017 29.712 29.700 -0.007 0.000 0.811 134 E HN 0.616 nan 8.360 nan 0.000 0.502 135 I N 1.507 122.076 120.570 -0.002 0.000 2.269 135 I HA 0.087 4.248 4.170 -0.014 0.000 0.293 135 I C 1.146 177.247 176.117 -0.028 0.000 1.106 135 I CA -0.204 61.087 61.300 -0.015 0.000 1.248 135 I CB 1.098 39.093 38.000 -0.008 0.000 1.444 135 I HN 0.033 nan 8.210 nan 0.000 0.497 136 G N 6.538 115.330 108.800 -0.013 0.000 2.986 136 G HA2 0.234 4.186 3.960 -0.014 0.000 0.213 136 G HA3 0.234 4.186 3.960 -0.014 0.000 0.213 136 G C -0.032 174.636 174.900 -0.386 0.000 1.156 136 G CA 0.206 45.262 45.100 -0.072 0.000 0.763 136 G HN 0.392 nan 8.290 nan 0.000 0.547 137 L N 0.126 121.073 121.223 -0.460 0.000 2.482 137 L HA 0.756 5.088 4.340 -0.014 0.000 0.263 137 L C -1.963 174.754 176.870 -0.255 0.000 0.957 137 L CA -1.219 53.316 54.840 -0.509 0.000 0.836 137 L CB 2.448 43.948 42.059 -0.932 0.000 1.324 137 L HN -0.084 nan 8.230 nan 0.000 0.406 138 L N 5.839 126.954 121.223 -0.179 0.000 2.372 138 L HA 0.754 5.086 4.340 -0.014 0.000 0.273 138 L C -1.588 175.235 176.870 -0.079 0.000 0.989 138 L CA -0.344 54.436 54.840 -0.100 0.000 0.841 138 L CB 1.832 43.851 42.059 -0.067 0.000 1.225 138 L HN 0.354 nan 8.230 nan 0.000 0.414 139 V N 6.021 125.899 119.914 -0.060 0.000 2.398 139 V HA 0.485 4.596 4.120 -0.014 0.000 0.286 139 V C -0.446 175.641 176.094 -0.012 0.000 1.026 139 V CA -0.593 61.684 62.300 -0.037 0.000 0.868 139 V CB 1.601 33.403 31.823 -0.036 0.000 0.982 139 V HN 0.650 nan 8.190 nan 0.000 0.443 140 L N 5.122 126.348 121.223 0.005 0.000 2.325 140 L HA 0.877 5.209 4.340 -0.014 0.000 0.281 140 L C -0.115 176.782 176.870 0.045 0.000 1.004 140 L CA -0.171 54.688 54.840 0.031 0.000 0.823 140 L CB 1.305 43.394 42.059 0.050 0.000 1.236 140 L HN 0.770 nan 8.230 nan 0.000 0.415 141 A N 3.746 126.596 122.820 0.050 0.000 2.350 141 A HA 0.941 5.252 4.320 -0.014 0.000 0.324 141 A C -0.664 176.973 177.584 0.088 0.000 1.118 141 A CA -0.293 51.779 52.037 0.059 0.000 0.783 141 A CB 1.518 20.535 19.000 0.030 0.000 1.236 141 A HN 0.767 nan 8.150 nan 0.000 0.457 142 T N 0.294 114.914 114.554 0.111 0.000 2.827 142 T HA 0.457 4.798 4.350 -0.014 0.000 0.328 142 T C 0.009 174.803 174.700 0.157 0.000 1.598 142 T CA -0.343 61.824 62.100 0.112 0.000 1.043 142 T CB 1.600 70.534 68.868 0.110 0.000 1.447 142 T HN 0.463 nan 8.240 nan 0.000 0.491 143 S N 0.305 116.062 115.700 0.095 0.000 2.960 143 S HA 0.177 4.639 4.470 -0.014 0.000 0.256 143 S C 1.159 175.730 174.600 -0.048 0.000 1.017 143 S CA 0.067 58.416 58.200 0.249 0.000 1.144 143 S CB 0.436 63.784 63.200 0.247 0.000 1.109 143 S HN 0.929 nan 8.310 nan 0.000 0.638 144 T N -1.714 112.646 114.554 -0.323 0.000 3.170 144 T HA 0.484 4.825 4.350 -0.014 0.000 0.288 144 T C 0.926 175.065 174.700 -0.936 0.000 0.992 144 T CA 0.260 62.101 62.100 -0.433 0.000 0.909 144 T CB 0.896 69.699 68.868 -0.107 0.000 1.133 144 T HN 0.233 nan 8.240 nan 0.000 0.530 145 G N 1.189 109.050 108.800 -1.566 0.000 2.851 145 G HA2 0.532 4.484 3.960 -0.014 0.000 0.208 145 G HA3 0.532 4.484 3.960 -0.014 0.000 0.208 145 G C -0.834 173.372 174.900 -1.156 0.000 1.894 145 G CA -0.692 43.173 45.100 -2.057 0.000 0.732 145 G HN 0.344 nan 8.290 nan 0.000 0.802 146 F N -0.643 118.999 119.950 -0.514 0.000 2.183 146 F HA -0.005 4.511 4.527 -0.019 0.000 0.515 146 F C -0.637 175.059 175.800 -0.173 0.000 1.279 146 F CA -1.138 56.696 58.000 -0.276 0.000 1.650 146 F CB -2.204 36.621 39.000 -0.291 0.000 2.628 146 F HN 0.432 nan 8.300 nan 0.000 0.728 147 I N -0.777 119.842 120.570 0.082 0.000 2.913 147 I HA 0.878 5.040 4.170 -0.014 0.000 0.302 147 I C 0.724 176.828 176.117 -0.021 0.000 1.246 147 I CA -0.729 60.567 61.300 -0.006 0.000 1.010 147 I CB 1.166 39.153 38.000 -0.022 0.000 1.259 147 I HN 0.443 nan 8.210 nan 0.000 0.434 148 A N 3.439 126.216 122.820 -0.072 0.000 3.202 148 A HA 0.090 4.402 4.320 -0.014 0.000 0.178 148 A C -1.664 175.895 177.584 -0.042 0.000 0.773 148 A CA 1.039 53.041 52.037 -0.058 0.000 1.176 148 A CB -2.121 16.839 19.000 -0.067 0.000 0.777 148 A HN 0.689 nan 8.150 nan 0.000 0.527 149 P HA 0.293 nan 4.420 nan 0.000 0.265 149 P C 0.191 177.508 177.300 0.028 0.000 1.222 149 P CA 0.842 63.937 63.100 -0.008 0.000 0.767 149 P CB 0.596 32.290 31.700 -0.010 0.000 0.801 150 G N 1.638 110.512 108.800 0.123 0.000 2.574 150 G HA2 0.177 4.129 3.960 -0.014 0.000 0.248 150 G HA3 0.177 4.129 3.960 -0.014 0.000 0.248 150 G C 1.115 176.250 174.900 0.391 0.000 1.422 150 G CA -0.572 44.691 45.100 0.271 0.000 1.051 150 G HN 0.240 nan 8.290 nan 0.000 0.560 151 V N 1.581 121.694 119.914 0.333 0.000 2.515 151 V HA -0.136 3.976 4.120 -0.014 0.000 0.250 151 V C 2.719 178.873 176.094 0.100 0.000 1.058 151 V CA 2.319 64.714 62.300 0.158 0.000 1.064 151 V CB -0.652 31.237 31.823 0.110 0.000 0.675 151 V HN 0.860 nan 8.190 nan 0.000 0.461 152 D N 0.553 121.017 120.400 0.106 0.000 2.097 152 D HA -0.165 4.466 4.640 -0.014 0.000 0.195 152 D C 2.070 178.401 176.300 0.051 0.000 0.989 152 D CA 1.604 55.639 54.000 0.059 0.000 0.827 152 D CB -0.654 40.173 40.800 0.046 0.000 0.966 152 D HN 0.341 nan 8.370 nan 0.000 0.456 153 V N 1.832 121.792 119.914 0.076 0.000 2.287 153 V HA -0.228 3.883 4.120 -0.014 0.000 0.248 153 V C 2.999 179.132 176.094 0.064 0.000 1.053 153 V CA 2.060 64.398 62.300 0.065 0.000 1.027 153 V CB -1.015 30.854 31.823 0.077 0.000 0.646 153 V HN 0.414 nan 8.190 nan 0.000 0.447 154 A N -0.381 122.493 122.820 0.091 0.000 1.972 154 A HA -0.157 4.155 4.320 -0.014 0.000 0.219 154 A C 2.171 179.762 177.584 0.011 0.000 1.169 154 A CA 1.751 53.822 52.037 0.056 0.000 0.635 154 A CB -0.517 18.502 19.000 0.032 0.000 0.810 154 A HN 0.532 nan 8.150 nan 0.000 0.446 155 I N -0.618 119.956 120.570 0.006 0.000 2.179 155 I HA -0.208 3.953 4.170 -0.014 0.000 0.242 155 I C 2.350 178.465 176.117 -0.003 0.000 1.088 155 I CA 1.160 62.456 61.300 -0.008 0.000 1.357 155 I CB -0.413 37.582 38.000 -0.008 0.000 1.051 155 I HN 0.152 nan 8.210 nan 0.000 0.409 156 V N 1.049 120.965 119.914 0.003 0.000 2.287 156 V HA -0.300 3.812 4.120 -0.014 0.000 0.248 156 V C 2.449 178.545 176.094 0.003 0.000 1.053 156 V CA 1.885 64.185 62.300 -0.000 0.000 1.027 156 V CB -0.692 31.131 31.823 -0.000 0.000 0.646 156 V HN 0.388 nan 8.190 nan 0.000 0.447 157 K N -0.446 119.960 120.400 0.010 0.000 2.025 157 K HA -0.204 4.108 4.320 -0.014 0.000 0.207 157 K C 2.255 178.858 176.600 0.005 0.000 1.049 157 K CA 1.583 57.877 56.287 0.011 0.000 0.933 157 K CB -0.162 32.351 32.500 0.022 0.000 0.714 157 K HN 0.328 nan 8.250 nan 0.000 0.438 158 E N 0.832 121.033 120.200 0.001 0.000 2.047 158 E HA -0.118 4.224 4.350 -0.014 0.000 0.191 158 E C 1.453 178.049 176.600 -0.008 0.000 0.987 158 E CA 1.029 57.424 56.400 -0.007 0.000 0.799 158 E CB 0.059 29.747 29.700 -0.019 0.000 0.752 158 E HN 0.039 nan 8.360 nan 0.000 0.449 159 L N -0.733 120.486 121.223 -0.007 0.000 2.591 159 L HA 0.261 4.593 4.340 -0.014 0.000 0.228 159 L C 1.167 178.036 176.870 -0.001 0.000 1.133 159 L CA 0.875 55.712 54.840 -0.005 0.000 0.880 159 L CB -0.150 41.906 42.059 -0.005 0.000 1.033 159 L HN 0.282 nan 8.230 nan 0.000 0.450 160 G N 0.121 108.921 108.800 -0.000 0.000 2.272 160 G HA2 -0.264 3.688 3.960 -0.014 0.000 0.280 160 G HA3 -0.264 3.688 3.960 -0.014 0.000 0.280 160 G C 0.272 175.173 174.900 0.002 0.000 1.067 160 G CA 0.080 45.181 45.100 0.002 0.000 0.902 160 G HN 0.255 nan 8.290 nan 0.000 0.500 161 L N -0.040 121.183 121.223 0.000 0.000 2.475 161 L HA 0.497 4.829 4.340 -0.014 0.000 0.253 161 L C 1.544 178.412 176.870 -0.004 0.000 1.198 161 L CA -0.132 54.707 54.840 -0.002 0.000 0.814 161 L CB 0.912 42.966 42.059 -0.008 0.000 1.134 161 L HN 0.335 nan 8.230 nan 0.000 0.478 162 S N 0.714 116.410 115.700 -0.006 0.000 2.537 162 S HA 0.104 4.565 4.470 -0.014 0.000 0.286 162 S C -1.582 173.012 174.600 -0.011 0.000 1.299 162 S CA -1.044 57.151 58.200 -0.007 0.000 1.067 162 S CB 0.781 63.976 63.200 -0.008 0.000 0.864 162 S HN 0.349 nan 8.310 nan 0.000 0.494 163 P HA -0.055 nan 4.420 nan 0.000 0.221 163 P C 0.855 178.148 177.300 -0.012 0.000 1.145 163 P CA 0.910 64.005 63.100 -0.007 0.000 0.795 163 P CB 0.016 31.714 31.700 -0.004 0.000 0.775 164 S N -2.070 113.621 115.700 -0.015 0.000 2.572 164 S HA 0.141 4.602 4.470 -0.014 0.000 0.228 164 S C 0.550 175.132 174.600 -0.031 0.000 0.963 164 S CA -0.638 57.551 58.200 -0.019 0.000 0.939 164 S CB -1.011 62.180 63.200 -0.015 0.000 0.804 164 S HN 0.061 nan 8.310 nan 0.000 0.480 165 I N 2.708 123.256 120.570 -0.038 0.000 2.754 165 I HA 0.105 4.266 4.170 -0.014 0.000 0.285 165 I C -0.195 175.874 176.117 -0.080 0.000 1.166 165 I CA -0.024 61.238 61.300 -0.064 0.000 1.417 165 I CB 0.935 38.897 38.000 -0.064 0.000 1.382 165 I HN 0.195 nan 8.210 nan 0.000 0.588 166 S N 7.224 122.847 115.700 -0.129 0.000 2.545 166 S HA 0.474 4.936 4.470 -0.014 0.000 0.275 166 S C -0.382 174.137 174.600 -0.135 0.000 1.299 166 S CA -0.584 57.538 58.200 -0.130 0.000 1.048 166 S CB 0.901 63.994 63.200 -0.178 0.000 0.938 166 S HN 0.538 nan 8.310 nan 0.000 0.496 167 R N 1.127 121.575 120.500 -0.087 0.000 2.686 167 R HA 0.720 5.051 4.340 -0.014 0.000 0.283 167 R C -1.672 174.597 176.300 -0.052 0.000 0.978 167 R CA -0.729 55.330 56.100 -0.069 0.000 0.897 167 R CB 2.003 32.278 30.300 -0.042 0.000 1.192 167 R HN 0.411 nan 8.270 nan 0.000 0.457 168 V N 2.775 122.661 119.914 -0.046 0.000 2.612 168 V HA 0.307 4.418 4.120 -0.014 0.000 0.301 168 V C -0.667 175.417 176.094 -0.018 0.000 1.059 168 V CA -0.865 61.417 62.300 -0.031 0.000 0.886 168 V CB 2.139 33.942 31.823 -0.033 0.000 1.007 168 V HN 0.452 nan 8.190 nan 0.000 0.426 169 V N 5.471 125.377 119.914 -0.013 0.000 2.370 169 V HA 0.437 4.549 4.120 -0.014 0.000 0.279 169 V C -0.116 175.975 176.094 -0.006 0.000 1.029 169 V CA -0.534 61.767 62.300 0.001 0.000 0.870 169 V CB 1.859 33.685 31.823 0.004 0.000 0.984 169 V HN 0.615 nan 8.190 nan 0.000 0.451 170 V N 6.096 126.018 119.914 0.013 0.000 2.311 170 V HA 0.443 4.555 4.120 -0.014 0.000 0.275 170 V C -0.015 176.109 176.094 0.050 0.000 1.022 170 V CA -0.620 61.691 62.300 0.017 0.000 0.830 170 V CB 0.958 32.791 31.823 0.017 0.000 1.012 170 V HN 0.840 nan 8.190 nan 0.000 0.452 171 N N 3.473 122.193 118.700 0.033 0.000 2.384 171 N HA 0.517 5.248 4.740 -0.014 0.000 0.301 171 N C 0.077 175.712 175.510 0.209 0.000 1.133 171 N CA -0.670 52.440 53.050 0.100 0.000 0.853 171 N CB 1.462 39.864 38.487 -0.142 0.000 1.241 171 N HN 0.454 nan 8.380 nan 0.000 0.502 172 F N -0.120 119.901 119.950 0.119 0.000 3.093 172 F HA -0.205 4.310 4.527 -0.020 0.000 0.287 172 F C 1.064 176.882 175.800 0.029 0.000 0.882 172 F CA 0.352 58.404 58.000 0.087 0.000 1.063 172 F CB -1.462 37.577 39.000 0.065 0.000 1.097 172 F HN 0.562 nan 8.300 nan 0.000 0.604 173 M N -0.923 118.771 119.600 0.157 0.000 2.419 173 M HA 0.310 4.782 4.480 -0.014 0.000 0.252 173 M C 1.628 177.928 176.300 -0.000 0.000 1.143 173 M CA 0.708 56.040 55.300 0.054 0.000 0.985 173 M CB -0.175 32.444 32.600 0.033 0.000 1.489 173 M HN 0.378 nan 8.290 nan 0.000 0.484 174 G N 0.961 109.761 108.800 0.000 0.000 2.594 174 G HA2 -0.327 3.625 3.960 -0.014 0.000 0.297 174 G HA3 -0.327 3.625 3.960 -0.014 0.000 0.297 174 G C 0.562 175.390 174.900 -0.120 0.000 1.273 174 G CA 0.187 45.248 45.100 -0.066 0.000 0.974 174 G HN 0.453 nan 8.290 nan 0.000 0.552 175 C N 1.044 120.227 119.300 -0.195 0.000 2.419 175 C HA 0.312 4.764 4.460 -0.014 0.000 0.283 175 C C 3.041 177.794 174.990 -0.396 0.000 1.373 175 C CA 1.783 60.573 59.018 -0.379 0.000 1.781 175 C CB -1.569 25.820 27.740 -0.584 0.000 1.886 175 C HN 1.214 nan 8.230 nan 0.000 0.520 176 A N -0.253 122.425 122.820 -0.237 0.000 2.387 176 A HA 0.576 4.888 4.320 -0.014 0.000 0.234 176 A C 2.009 179.517 177.584 -0.126 0.000 1.253 176 A CA 0.779 52.700 52.037 -0.194 0.000 0.894 176 A CB -0.308 18.599 19.000 -0.154 0.000 0.963 176 A HN 0.437 nan 8.150 nan 0.000 0.508 177 A N 0.065 122.826 122.820 -0.098 0.000 2.070 177 A HA 0.154 4.466 4.320 -0.014 0.000 0.220 177 A C 2.297 179.848 177.584 -0.055 0.000 1.159 177 A CA 1.670 53.674 52.037 -0.055 0.000 0.656 177 A CB -0.574 18.413 19.000 -0.021 0.000 0.800 177 A HN 1.017 nan 8.150 nan 0.000 0.453 178 A N -0.831 121.947 122.820 -0.070 0.000 1.972 178 A HA -0.108 4.203 4.320 -0.014 0.000 0.219 178 A C 2.120 179.662 177.584 -0.070 0.000 1.169 178 A CA 1.823 53.824 52.037 -0.060 0.000 0.635 178 A CB -0.412 18.550 19.000 -0.063 0.000 0.810 178 A HN 0.436 nan 8.150 nan 0.000 0.446 179 M N 0.231 119.776 119.600 -0.091 0.000 2.156 179 M HA -0.074 4.398 4.480 -0.014 0.000 0.264 179 M C 1.654 177.905 176.300 -0.081 0.000 1.067 179 M CA 1.055 56.292 55.300 -0.105 0.000 1.131 179 M CB -1.543 30.964 32.600 -0.155 0.000 1.368 179 M HN 0.463 nan 8.290 nan 0.000 0.416 180 N N 0.703 119.364 118.700 -0.066 0.000 2.142 180 N HA -0.072 4.660 4.740 -0.014 0.000 0.186 180 N C 1.767 177.259 175.510 -0.029 0.000 1.023 180 N CA 1.588 54.612 53.050 -0.043 0.000 0.852 180 N CB -0.149 38.320 38.487 -0.030 0.000 0.998 180 N HN 0.309 nan 8.380 nan 0.000 0.424 181 A N 1.750 124.552 122.820 -0.029 0.000 1.858 181 A HA -0.101 4.211 4.320 -0.014 0.000 0.216 181 A C 2.257 179.828 177.584 -0.021 0.000 1.190 181 A CA 0.951 52.975 52.037 -0.021 0.000 0.617 181 A CB -0.820 18.168 19.000 -0.020 0.000 0.827 181 A HN 0.207 nan 8.150 nan 0.000 0.443 182 L N 0.393 121.597 121.223 -0.031 0.000 2.079 182 L HA -0.079 4.253 4.340 -0.014 0.000 0.210 182 L C 2.337 179.199 176.870 -0.014 0.000 1.081 182 L CA 2.393 57.217 54.840 -0.028 0.000 0.752 182 L CB -1.131 40.901 42.059 -0.046 0.000 0.896 182 L HN 0.310 nan 8.230 nan 0.000 0.433 183 G N -2.155 106.633 108.800 -0.020 0.000 2.432 183 G HA2 -0.231 3.721 3.960 -0.014 0.000 0.219 183 G HA3 -0.231 3.721 3.960 -0.014 0.000 0.219 183 G C 1.422 176.330 174.900 0.014 0.000 1.135 183 G CA 1.128 46.224 45.100 -0.007 0.000 0.767 183 G HN 0.450 nan 8.290 nan 0.000 0.550 184 T N 1.506 116.068 114.554 0.014 0.000 2.777 184 T HA 0.070 4.412 4.350 -0.014 0.000 0.266 184 T C 2.814 177.553 174.700 0.065 0.000 1.040 184 T CA 1.347 63.467 62.100 0.032 0.000 1.141 184 T CB -0.285 68.590 68.868 0.011 0.000 0.868 184 T HN 0.352 nan 8.240 nan 0.000 0.444 185 A N 1.090 123.937 122.820 0.045 0.000 1.969 185 A HA -0.077 4.234 4.320 -0.014 0.000 0.218 185 A C 2.528 180.181 177.584 0.114 0.000 1.169 185 A CA 1.800 53.883 52.037 0.076 0.000 0.635 185 A CB -1.125 17.893 19.000 0.029 0.000 0.810 185 A HN 0.433 nan 8.150 nan 0.000 0.445 186 T N 0.820 115.413 114.554 0.065 0.000 2.708 186 T HA -0.126 4.215 4.350 -0.014 0.000 0.266 186 T C 1.868 176.597 174.700 0.050 0.000 1.037 186 T CA 1.559 63.687 62.100 0.048 0.000 1.146 186 T CB -0.369 68.513 68.868 0.024 0.000 0.865 186 T HN 0.534 nan 8.240 nan 0.000 0.435 187 N N 0.434 119.170 118.700 0.059 0.000 2.142 187 N HA -0.078 4.654 4.740 -0.014 0.000 0.186 187 N C 1.600 177.142 175.510 0.053 0.000 1.023 187 N CA 1.014 54.088 53.050 0.041 0.000 0.852 187 N CB -0.653 37.862 38.487 0.047 0.000 0.998 187 N HN 0.472 nan 8.380 nan 0.000 0.424 188 Y N 2.041 122.358 120.300 0.029 0.000 2.097 188 Y HA -0.187 4.354 4.550 -0.014 0.000 0.282 188 Y C 2.360 178.323 175.900 0.106 0.000 1.152 188 Y CA 1.379 59.540 58.100 0.101 0.000 1.136 188 Y CB -0.574 37.939 38.460 0.089 0.000 0.975 188 Y HN -0.201 nan 8.280 nan 0.000 0.498 189 V N 1.021 120.970 119.914 0.058 0.000 2.407 189 V HA -0.300 3.811 4.120 -0.014 0.000 0.248 189 V C 2.322 178.344 176.094 -0.120 0.000 1.055 189 V CA 2.392 64.667 62.300 -0.042 0.000 1.049 189 V CB -0.479 31.383 31.823 0.065 0.000 0.662 189 V HN 0.415 nan 8.190 nan 0.000 0.455 190 R N -0.392 120.050 120.500 -0.098 0.000 2.193 190 R HA 0.066 4.398 4.340 -0.014 0.000 0.213 190 R C 2.230 178.417 176.300 -0.188 0.000 1.055 190 R CA 1.078 57.113 56.100 -0.109 0.000 0.995 190 R CB -0.310 29.951 30.300 -0.065 0.000 0.893 190 R HN 0.523 nan 8.270 nan 0.000 0.459 191 A N 0.552 123.192 122.820 -0.301 0.000 1.935 191 A HA -0.037 4.275 4.320 -0.014 0.000 0.214 191 A C 0.237 177.383 177.584 -0.730 0.000 1.178 191 A CA 0.805 52.539 52.037 -0.506 0.000 0.640 191 A CB -0.050 18.584 19.000 -0.611 0.000 0.825 191 A HN 0.315 nan 8.150 nan 0.000 0.447 192 H N -1.261 117.604 119.070 -0.343 0.000 2.418 192 H HA 0.329 4.876 4.556 -0.016 0.000 0.238 192 H C -2.274 172.893 175.328 -0.268 0.000 1.403 192 H CA -1.803 54.044 56.048 -0.336 0.000 1.419 192 H CB 0.606 30.053 29.762 -0.524 0.000 1.463 192 H HN 0.185 nan 8.280 nan 0.000 0.515 193 P HA -0.223 nan 4.420 nan 0.000 0.221 193 P C 1.183 178.448 177.300 -0.059 0.000 1.141 193 P CA 1.370 64.422 63.100 -0.079 0.000 0.794 193 P CB 0.355 32.015 31.700 -0.066 0.000 0.764 194 A N -2.806 119.986 122.820 -0.046 0.000 2.238 194 A HA 0.153 4.465 4.320 -0.014 0.000 0.210 194 A C 0.999 178.553 177.584 -0.051 0.000 1.179 194 A CA 0.577 52.590 52.037 -0.039 0.000 0.827 194 A CB -0.421 18.567 19.000 -0.019 0.000 0.856 194 A HN 0.023 nan 8.150 nan 0.000 0.488 195 M N -0.193 119.379 119.600 -0.046 0.000 2.753 195 M HA 0.514 4.986 4.480 -0.014 0.000 0.299 195 M C -0.482 175.809 176.300 -0.016 0.000 1.219 195 M CA -0.340 54.959 55.300 -0.002 0.000 0.900 195 M CB 0.990 33.663 32.600 0.122 0.000 1.628 195 M HN -0.097 nan 8.290 nan 0.000 0.502 196 K N 0.401 120.796 120.400 -0.007 0.000 2.400 196 K HA 0.884 5.195 4.320 -0.014 0.000 0.246 196 K C -1.226 175.401 176.600 0.045 0.000 0.995 196 K CA -0.721 55.528 56.287 -0.063 0.000 0.840 196 K CB 2.213 34.544 32.500 -0.281 0.000 1.293 196 K HN 0.784 nan 8.250 nan 0.000 0.445 197 A N 1.184 124.018 122.820 0.023 0.000 2.386 197 A HA 0.677 4.988 4.320 -0.014 0.000 0.311 197 A C -1.522 176.045 177.584 -0.028 0.000 1.068 197 A CA -0.690 51.330 52.037 -0.029 0.000 0.743 197 A CB 1.138 20.140 19.000 0.004 0.000 1.258 197 A HN 0.512 nan 8.150 nan 0.000 0.429 198 L N 2.796 123.989 121.223 -0.051 0.000 2.305 198 L HA 0.707 5.039 4.340 -0.014 0.000 0.284 198 L C -1.104 175.745 176.870 -0.034 0.000 1.013 198 L CA -0.263 54.560 54.840 -0.029 0.000 0.819 198 L CB 1.625 43.669 42.059 -0.025 0.000 1.227 198 L HN 0.415 nan 8.230 nan 0.000 0.417 199 V N 5.849 125.749 119.914 -0.023 0.000 2.459 199 V HA 0.623 4.734 4.120 -0.014 0.000 0.295 199 V C -0.574 175.512 176.094 -0.014 0.000 1.029 199 V CA -0.597 61.690 62.300 -0.021 0.000 0.874 199 V CB 1.858 33.667 31.823 -0.022 0.000 0.985 199 V HN 0.532 nan 8.190 nan 0.000 0.438 200 V N 3.820 123.730 119.914 -0.007 0.000 2.525 200 V HA 0.392 4.504 4.120 -0.014 0.000 0.299 200 V C -0.496 175.608 176.094 0.016 0.000 1.034 200 V CA -0.453 61.849 62.300 0.002 0.000 0.863 200 V CB 1.828 33.653 31.823 0.003 0.000 0.999 200 V HN 0.965 nan 8.190 nan 0.000 0.423 201 C N 6.128 125.439 119.300 0.017 0.000 2.298 201 C HA 0.778 5.230 4.460 -0.014 0.000 0.323 201 C C -0.115 174.897 174.990 0.037 0.000 1.284 201 C CA -0.583 58.451 59.018 0.026 0.000 1.577 201 C CB 0.497 28.242 27.740 0.008 0.000 2.249 201 C HN 0.784 nan 8.230 nan 0.000 0.497 202 I N 3.152 123.761 120.570 0.065 0.000 2.478 202 I HA 0.602 4.763 4.170 -0.014 0.000 0.287 202 I C -0.860 175.331 176.117 0.123 0.000 1.042 202 I CA 0.034 61.377 61.300 0.071 0.000 1.067 202 I CB 1.260 39.300 38.000 0.065 0.000 1.233 202 I HN 0.627 nan 8.210 nan 0.000 0.431 203 E N 6.004 126.245 120.200 0.069 0.000 2.244 203 E HA 0.578 4.920 4.350 -0.014 0.000 0.260 203 E C -1.729 174.911 176.600 0.066 0.000 0.884 203 E CA -0.309 56.136 56.400 0.076 0.000 0.777 203 E CB 1.446 31.132 29.700 -0.023 0.000 1.197 203 E HN 0.515 nan 8.360 nan 0.000 0.416 204 L N 4.559 125.877 121.223 0.158 0.000 2.445 204 L HA 0.285 4.617 4.340 -0.014 0.000 0.252 204 L C 0.289 177.203 176.870 0.072 0.000 1.105 204 L CA -0.141 54.761 54.840 0.102 0.000 0.943 204 L CB 0.334 42.474 42.059 0.135 0.000 1.277 204 L HN 0.773 nan 8.230 nan 0.000 0.465 205 C N -0.685 118.623 119.300 0.015 0.000 2.446 205 C HA -0.136 4.316 4.460 -0.014 0.000 0.277 205 C C 2.736 177.689 174.990 -0.061 0.000 1.275 205 C CA 1.053 60.070 59.018 -0.002 0.000 1.727 205 C CB -0.526 27.243 27.740 0.048 0.000 2.010 205 C HN 0.899 nan 8.230 nan 0.000 0.486 206 S N 1.071 116.729 115.700 -0.070 0.000 2.423 206 S HA -0.175 4.286 4.470 -0.014 0.000 0.238 206 S C 1.589 176.105 174.600 -0.140 0.000 1.028 206 S CA 1.854 59.987 58.200 -0.113 0.000 1.000 206 S CB -0.855 62.281 63.200 -0.106 0.000 0.797 206 S HN 0.425 nan 8.310 nan 0.000 0.487 207 V N 2.286 122.143 119.914 -0.094 0.000 2.913 207 V HA -0.028 4.084 4.120 -0.014 0.000 0.260 207 V C 1.219 177.300 176.094 -0.022 0.000 1.098 207 V CA 1.752 64.018 62.300 -0.056 0.000 1.121 207 V CB -0.974 30.882 31.823 0.055 0.000 0.714 207 V HN 0.580 nan 8.190 nan 0.000 0.487 208 N N 0.044 118.706 118.700 -0.062 0.000 2.214 208 N HA 0.349 5.081 4.740 -0.014 0.000 0.214 208 N C 0.365 175.802 175.510 -0.121 0.000 1.132 208 N CA 0.325 53.332 53.050 -0.071 0.000 0.856 208 N CB 0.392 38.834 38.487 -0.075 0.000 1.020 208 N HN 0.374 nan 8.380 nan 0.000 0.509 209 A N 0.084 122.809 122.820 -0.158 0.000 2.567 209 A HA 0.168 4.480 4.320 -0.014 0.000 0.240 209 A C 0.960 178.542 177.584 -0.005 0.000 1.053 209 A CA 0.309 52.223 52.037 -0.205 0.000 0.755 209 A CB 0.306 19.208 19.000 -0.163 0.000 0.978 209 A HN 0.132 nan 8.150 nan 0.000 0.507 210 V N 1.585 121.563 119.914 0.107 0.000 3.245 210 V HA 0.150 4.262 4.120 -0.014 0.000 0.246 210 V C -0.179 175.961 176.094 0.077 0.000 1.487 210 V CA 0.352 62.688 62.300 0.059 0.000 1.154 210 V CB -0.735 31.083 31.823 -0.009 0.000 0.971 210 V HN 1.021 nan 8.190 nan 0.000 0.443 211 F N 0.767 120.569 119.950 -0.247 0.000 2.685 211 F HA -0.114 4.406 4.527 -0.011 0.000 0.336 211 F C 0.689 176.343 175.800 -0.242 0.000 1.061 211 F CA 0.252 58.020 58.000 -0.387 0.000 1.118 211 F CB -1.575 37.350 39.000 -0.124 0.000 1.436 211 F HN 0.251 nan 8.300 nan 0.000 0.816 212 A N 0.263 122.972 122.820 -0.184 0.000 2.246 212 A HA 0.517 4.829 4.320 -0.014 0.000 0.291 212 A C 1.310 178.859 177.584 -0.059 0.000 1.103 212 A CA -0.062 51.927 52.037 -0.079 0.000 0.844 212 A CB 0.432 19.383 19.000 -0.081 0.000 1.136 212 A HN 0.358 nan 8.150 nan 0.000 0.500 213 D N 0.256 120.639 120.400 -0.027 0.000 2.149 213 D HA -0.068 4.564 4.640 -0.014 0.000 0.201 213 D C 0.336 176.622 176.300 -0.022 0.000 0.972 213 D CA 1.095 55.085 54.000 -0.016 0.000 0.835 213 D CB -0.292 40.505 40.800 -0.005 0.000 0.966 213 D HN 0.765 nan 8.370 nan 0.000 0.476 214 D N 1.066 121.447 120.400 -0.031 0.000 2.400 214 D HA -0.051 4.580 4.640 -0.014 0.000 0.238 214 D C 1.565 177.841 176.300 -0.040 0.000 1.157 214 D CA -0.340 53.642 54.000 -0.030 0.000 0.889 214 D CB 1.373 42.156 40.800 -0.029 0.000 1.199 214 D HN -0.047 nan 8.370 nan 0.000 0.436 215 I N 0.768 121.318 120.570 -0.034 0.000 2.163 215 I HA -0.302 3.860 4.170 -0.014 0.000 0.243 215 I C 2.301 178.382 176.117 -0.060 0.000 1.085 215 I CA 1.200 62.476 61.300 -0.040 0.000 1.347 215 I CB -1.336 36.644 38.000 -0.033 0.000 1.044 215 I HN 0.533 nan 8.210 nan 0.000 0.408 216 N N 0.963 119.628 118.700 -0.058 0.000 2.094 216 N HA -0.305 4.427 4.740 -0.014 0.000 0.191 216 N C 1.704 177.152 175.510 -0.103 0.000 1.023 216 N CA 2.360 55.365 53.050 -0.074 0.000 0.857 216 N CB -0.220 38.234 38.487 -0.054 0.000 1.013 216 N HN 0.521 nan 8.380 nan 0.000 0.426 217 D N -0.378 119.966 120.400 -0.093 0.000 2.097 217 D HA -0.058 4.574 4.640 -0.014 0.000 0.197 217 D C 2.116 178.333 176.300 -0.137 0.000 0.984 217 D CA 0.877 54.809 54.000 -0.113 0.000 0.826 217 D CB 0.169 40.878 40.800 -0.151 0.000 0.973 217 D HN 0.053 nan 8.370 nan 0.000 0.460 218 V N -0.157 119.686 119.914 -0.119 0.000 2.407 218 V HA -0.207 3.904 4.120 -0.014 0.000 0.248 218 V C 2.436 178.467 176.094 -0.106 0.000 1.055 218 V CA 1.088 63.345 62.300 -0.072 0.000 1.049 218 V CB -0.322 31.490 31.823 -0.018 0.000 0.662 218 V HN 0.161 nan 8.190 nan 0.000 0.455 219 V N -0.551 119.281 119.914 -0.138 0.000 2.307 219 V HA -0.218 3.893 4.120 -0.014 0.000 0.245 219 V C 2.256 178.189 176.094 -0.268 0.000 1.045 219 V CA 1.949 64.138 62.300 -0.185 0.000 1.024 219 V CB -0.448 31.293 31.823 -0.136 0.000 0.651 219 V HN 0.403 nan 8.190 nan 0.000 0.449 220 I N -0.429 119.929 120.570 -0.353 0.000 2.226 220 I HA -0.240 3.922 4.170 -0.014 0.000 0.245 220 I C 2.350 178.106 176.117 -0.602 0.000 1.100 220 I CA 1.723 62.545 61.300 -0.797 0.000 1.374 220 I CB -0.627 36.895 38.000 -0.796 0.000 1.057 220 I HN 0.388 nan 8.210 nan 0.000 0.413 221 H N -1.209 117.614 119.070 -0.412 0.000 2.546 221 H HA 0.003 4.553 4.556 -0.011 0.000 0.277 221 H C 2.177 177.437 175.328 -0.114 0.000 1.004 221 H CA 1.139 57.028 56.048 -0.265 0.000 1.231 221 H CB 0.176 29.771 29.762 -0.278 0.000 1.382 221 H HN 0.401 nan 8.280 nan 0.000 0.580 222 S N -0.308 115.304 115.700 -0.145 0.000 2.517 222 S HA 0.089 4.550 4.470 -0.014 0.000 0.214 222 S C 1.767 176.282 174.600 -0.142 0.000 0.991 222 S CA -0.198 57.797 58.200 -0.342 0.000 0.906 222 S CB 0.093 62.666 63.200 -1.045 0.000 0.789 222 S HN 0.232 nan 8.310 nan 0.000 0.513 223 L N -0.575 120.604 121.223 -0.073 0.000 2.467 223 L HA 0.451 4.782 4.340 -0.014 0.000 0.213 223 L C -0.125 176.946 176.870 0.334 0.000 1.053 223 L CA -0.059 54.850 54.840 0.115 0.000 0.847 223 L CB -0.088 42.070 42.059 0.166 0.000 1.075 223 L HN 0.211 nan 8.230 nan 0.000 0.479 224 F N 1.274 121.188 119.950 -0.060 0.000 2.484 224 F HA 0.477 5.010 4.527 0.009 0.000 0.360 224 F C 0.964 176.729 175.800 -0.058 0.000 1.101 224 F CA -0.988 56.972 58.000 -0.067 0.000 1.251 224 F CB 0.121 39.054 39.000 -0.111 0.000 1.132 224 F HN -0.157 nan 8.300 nan 0.000 0.570 225 G N 1.569 110.427 108.800 0.096 0.000 3.015 225 G HA2 0.539 4.491 3.960 -0.014 0.000 0.281 225 G HA3 0.539 4.491 3.960 -0.014 0.000 0.281 225 G C -1.742 173.152 174.900 -0.009 0.000 1.386 225 G CA -0.758 44.370 45.100 0.046 0.000 0.959 225 G HN 0.364 nan 8.290 nan 0.000 0.522 226 D N -0.992 119.406 120.400 -0.004 0.000 2.248 226 D HA 0.704 5.336 4.640 -0.014 0.000 0.246 226 D C 0.340 176.611 176.300 -0.048 0.000 1.027 226 D CA 0.259 54.245 54.000 -0.025 0.000 0.853 226 D CB 1.808 42.600 40.800 -0.014 0.000 1.243 226 D HN 0.765 nan 8.370 nan 0.000 0.462 227 G N -0.813 107.946 108.800 -0.069 0.000 2.523 227 G HA2 0.504 4.456 3.960 -0.014 0.000 0.291 227 G HA3 0.504 4.456 3.960 -0.014 0.000 0.291 227 G C -1.717 173.177 174.900 -0.010 0.000 1.450 227 G CA -0.533 44.520 45.100 -0.079 0.000 0.790 227 G HN 0.631 nan 8.290 nan 0.000 0.496 228 C N -0.232 119.123 119.300 0.092 0.000 2.985 228 C HA 1.007 5.458 4.460 -0.014 0.000 0.314 228 C C -0.292 174.787 174.990 0.148 0.000 1.215 228 C CA 0.669 59.736 59.018 0.081 0.000 1.414 228 C CB 0.662 28.420 27.740 0.030 0.000 1.842 228 C HN 2.052 nan 8.230 nan 0.000 0.477 229 A N 2.667 125.536 122.820 0.082 0.000 2.574 229 A HA 0.988 5.299 4.320 -0.014 0.000 0.297 229 A C -1.071 176.515 177.584 0.004 0.000 1.062 229 A CA 0.205 52.271 52.037 0.047 0.000 0.686 229 A CB 1.335 20.397 19.000 0.103 0.000 1.285 229 A HN 2.301 nan 8.150 nan 0.000 0.403 230 A N 0.895 123.700 122.820 -0.024 0.000 2.539 230 A HA 0.854 5.166 4.320 -0.014 0.000 0.296 230 A C -1.377 176.187 177.584 -0.032 0.000 1.073 230 A CA -0.433 51.589 52.037 -0.024 0.000 0.700 230 A CB 1.105 20.091 19.000 -0.023 0.000 1.296 230 A HN 1.050 nan 8.150 nan 0.000 0.405 231 L N 1.023 122.231 121.223 -0.025 0.000 2.388 231 L HA 0.680 5.011 4.340 -0.014 0.000 0.264 231 L C -1.055 175.812 176.870 -0.005 0.000 0.998 231 L CA -1.115 53.711 54.840 -0.024 0.000 0.817 231 L CB 2.285 44.324 42.059 -0.034 0.000 1.338 231 L HN 0.416 nan 8.230 nan 0.000 0.414 232 V N 3.913 123.835 119.914 0.013 0.000 2.378 232 V HA 0.446 4.557 4.120 -0.014 0.000 0.288 232 V C -0.109 176.011 176.094 0.043 0.000 1.016 232 V CA -0.457 61.869 62.300 0.043 0.000 0.840 232 V CB 1.684 33.567 31.823 0.100 0.000 0.994 232 V HN 0.385 nan 8.190 nan 0.000 0.431 233 I N 3.758 124.342 120.570 0.023 0.000 2.525 233 I HA 0.862 5.024 4.170 -0.014 0.000 0.301 233 I C 0.660 176.776 176.117 -0.002 0.000 0.992 233 I CA -0.227 61.084 61.300 0.020 0.000 1.162 233 I CB 1.534 39.549 38.000 0.025 0.000 1.332 233 I HN 0.700 nan 8.210 nan 0.000 0.458 234 G N 2.546 111.343 108.800 -0.004 0.000 2.704 234 G HA2 0.709 4.661 3.960 -0.014 0.000 0.293 234 G HA3 0.709 4.661 3.960 -0.014 0.000 0.293 234 G C -1.521 173.370 174.900 -0.016 0.000 1.421 234 G CA -0.604 44.470 45.100 -0.044 0.000 0.870 234 G HN 0.770 nan 8.290 nan 0.000 0.492 235 A N -0.040 122.762 122.820 -0.031 0.000 2.316 235 A HA 0.846 5.157 4.320 -0.014 0.000 0.284 235 A C 0.312 177.889 177.584 -0.012 0.000 1.115 235 A CA -0.059 51.964 52.037 -0.024 0.000 0.812 235 A CB 1.318 20.292 19.000 -0.043 0.000 1.064 235 A HN 1.672 nan 8.150 nan 0.000 0.489 236 S N 0.576 116.273 115.700 -0.005 0.000 2.540 236 S HA 0.380 4.841 4.470 -0.014 0.000 0.275 236 S C -1.057 173.542 174.600 -0.001 0.000 1.123 236 S CA -0.586 57.616 58.200 0.004 0.000 0.907 236 S CB 1.466 64.676 63.200 0.016 0.000 1.081 236 S HN 0.791 nan 8.310 nan 0.000 0.476 237 Q N 3.350 123.150 119.800 0.000 0.000 2.288 237 Q HA 0.187 4.519 4.340 -0.014 0.000 0.258 237 Q C 1.647 177.647 176.000 -0.001 0.000 0.957 237 Q CA 0.009 55.810 55.803 -0.003 0.000 0.919 237 Q CB 1.263 30.000 28.738 -0.003 0.000 1.185 237 Q HN 0.941 nan 8.270 nan 0.000 0.408 238 V N 2.409 122.321 119.914 -0.003 0.000 2.613 238 V HA -0.310 3.802 4.120 -0.014 0.000 0.259 238 V C 1.240 177.333 176.094 -0.002 0.000 1.099 238 V CA 2.094 64.392 62.300 -0.003 0.000 1.115 238 V CB -0.570 31.249 31.823 -0.006 0.000 0.686 238 V HN 0.751 nan 8.190 nan 0.000 0.481 239 Q N -0.086 119.713 119.800 -0.002 0.000 2.392 239 Q HA 0.138 4.470 4.340 -0.014 0.000 0.203 239 Q C 0.288 176.289 176.000 0.001 0.000 0.917 239 Q CA -0.054 55.748 55.803 -0.002 0.000 0.939 239 Q CB 0.151 28.888 28.738 -0.003 0.000 1.063 239 Q HN 0.687 nan 8.270 nan 0.000 0.516 240 E N 2.000 122.203 120.200 0.004 0.000 2.351 240 E HA 0.025 4.367 4.350 -0.014 0.000 0.266 240 E C -0.554 176.051 176.600 0.008 0.000 1.031 240 E CA 0.255 56.659 56.400 0.007 0.000 0.911 240 E CB 0.503 30.210 29.700 0.012 0.000 0.986 240 E HN 0.099 nan 8.360 nan 0.000 0.446 241 K N 3.801 124.206 120.400 0.007 0.000 2.278 241 K HA 0.182 4.493 4.320 -0.014 0.000 0.289 241 K C 0.184 176.789 176.600 0.009 0.000 1.080 241 K CA -0.150 56.141 56.287 0.006 0.000 0.934 241 K CB 0.191 32.694 32.500 0.004 0.000 1.093 241 K HN 0.241 nan 8.250 nan 0.000 0.459 242 L N 3.028 124.258 121.223 0.011 0.000 2.452 242 L HA 0.064 4.396 4.340 -0.014 0.000 0.267 242 L C 1.061 177.937 176.870 0.011 0.000 1.188 242 L CA -0.243 54.606 54.840 0.014 0.000 0.821 242 L CB 0.241 42.311 42.059 0.018 0.000 1.102 242 L HN 0.608 nan 8.230 nan 0.000 0.470 243 E N 1.888 122.094 120.200 0.009 0.000 2.349 243 E HA 0.357 4.699 4.350 -0.014 0.000 0.262 243 E C -2.536 174.067 176.600 0.005 0.000 1.088 243 E CA -2.214 54.189 56.400 0.004 0.000 0.899 243 E CB 0.147 29.846 29.700 -0.001 0.000 1.044 243 E HN 0.265 nan 8.360 nan 0.000 0.420 244 P HA -0.002 nan 4.420 nan 0.000 0.264 244 P C 0.576 177.877 177.300 0.002 0.000 1.183 244 P CA 1.597 64.699 63.100 0.004 0.000 0.763 244 P CB 0.578 32.279 31.700 0.002 0.000 0.807 245 G N 1.413 110.216 108.800 0.005 0.000 2.258 245 G HA2 -0.228 3.724 3.960 -0.014 0.000 0.233 245 G HA3 -0.228 3.724 3.960 -0.014 0.000 0.233 245 G C 0.217 175.117 174.900 -0.000 0.000 1.006 245 G CA -0.194 44.906 45.100 -0.001 0.000 0.620 245 G HN 0.521 nan 8.290 nan 0.000 0.511 246 K N 0.549 120.953 120.400 0.007 0.000 2.382 246 K HA 0.552 4.864 4.320 -0.014 0.000 0.275 246 K C 0.176 176.788 176.600 0.019 0.000 1.009 246 K CA 0.149 56.443 56.287 0.012 0.000 0.970 246 K CB 1.393 33.904 32.500 0.020 0.000 0.934 246 K HN 0.225 nan 8.250 nan 0.000 0.479 247 V N 3.939 123.860 119.914 0.011 0.000 2.378 247 V HA 0.248 4.360 4.120 -0.014 0.000 0.288 247 V C -0.659 175.458 176.094 0.039 0.000 1.016 247 V CA -1.052 61.261 62.300 0.022 0.000 0.840 247 V CB 1.672 33.459 31.823 -0.060 0.000 0.994 247 V HN 0.421 nan 8.190 nan 0.000 0.431 248 V N 5.780 125.741 119.914 0.078 0.000 2.461 248 V HA 0.234 4.346 4.120 -0.014 0.000 0.275 248 V C 0.275 176.430 176.094 0.102 0.000 1.047 248 V CA -0.438 61.904 62.300 0.070 0.000 0.955 248 V CB 1.654 33.512 31.823 0.057 0.000 0.988 248 V HN 0.618 nan 8.190 nan 0.000 0.471 249 V N 7.428 127.384 119.914 0.070 0.000 2.299 249 V HA 0.220 4.331 4.120 -0.014 0.000 0.255 249 V C 1.374 177.512 176.094 0.072 0.000 1.100 249 V CA -0.112 62.237 62.300 0.082 0.000 0.938 249 V CB -0.074 31.773 31.823 0.041 0.000 1.139 249 V HN 0.826 nan 8.190 nan 0.000 0.490 250 R N 1.881 122.434 120.500 0.088 0.000 2.073 250 R HA 0.071 4.403 4.340 -0.014 0.000 0.229 250 R C 0.829 177.166 176.300 0.062 0.000 1.120 250 R CA 0.939 57.074 56.100 0.058 0.000 0.967 250 R CB 0.105 30.429 30.300 0.040 0.000 0.862 250 R HN 0.566 nan 8.270 nan 0.000 0.436 251 S N -0.264 115.492 115.700 0.093 0.000 2.542 251 S HA 0.296 4.758 4.470 -0.014 0.000 0.276 251 S C -1.297 173.395 174.600 0.153 0.000 1.148 251 S CA -0.802 57.465 58.200 0.111 0.000 0.886 251 S CB 1.604 64.873 63.200 0.116 0.000 1.109 251 S HN 0.247 nan 8.310 nan 0.000 0.458 252 S N 2.697 118.472 115.700 0.125 0.000 2.607 252 S HA 0.981 5.442 4.470 -0.014 0.000 0.303 252 S C -0.857 173.833 174.600 0.150 0.000 1.086 252 S CA -0.720 57.514 58.200 0.056 0.000 0.995 252 S CB 1.326 64.509 63.200 -0.028 0.000 1.084 252 S HN 1.214 nan 8.310 nan 0.000 0.507 253 F N -1.687 118.289 119.950 0.044 0.000 2.654 253 F HA 0.870 5.400 4.527 0.004 0.000 0.308 253 F C -1.041 174.774 175.800 0.025 0.000 1.108 253 F CA -0.856 57.165 58.000 0.035 0.000 0.957 253 F CB 1.233 40.257 39.000 0.040 0.000 1.309 253 F HN 0.590 nan 8.300 nan 0.000 0.446 254 S N 1.575 117.397 115.700 0.204 0.000 2.549 254 S HA 0.683 5.145 4.470 -0.014 0.000 0.280 254 S C -1.646 173.051 174.600 0.162 0.000 1.109 254 S CA -0.770 57.498 58.200 0.113 0.000 0.905 254 S CB 2.094 65.317 63.200 0.038 0.000 1.081 254 S HN 0.643 nan 8.310 nan 0.000 0.477 255 Q N 1.942 121.822 119.800 0.132 0.000 2.334 255 Q HA 0.308 4.639 4.340 -0.014 0.000 0.249 255 Q C -1.614 174.424 176.000 0.063 0.000 0.909 255 Q CA -0.174 55.687 55.803 0.096 0.000 0.823 255 Q CB 2.119 30.919 28.738 0.104 0.000 1.353 255 Q HN 0.723 nan 8.270 nan 0.000 0.433 256 L N 4.280 125.523 121.223 0.033 0.000 2.360 256 L HA 0.382 4.713 4.340 -0.014 0.000 0.276 256 L C -0.528 176.338 176.870 -0.007 0.000 1.121 256 L CA -0.295 54.551 54.840 0.011 0.000 0.845 256 L CB 0.530 42.588 42.059 -0.001 0.000 1.143 256 L HN 0.517 nan 8.230 nan 0.000 0.452 257 L N 4.799 126.005 121.223 -0.028 0.000 2.265 257 L HA 0.246 4.578 4.340 -0.014 0.000 0.288 257 L C 0.229 177.034 176.870 -0.108 0.000 1.058 257 L CA -0.691 54.112 54.840 -0.062 0.000 0.809 257 L CB 0.913 42.925 42.059 -0.078 0.000 1.179 257 L HN 0.536 nan 8.230 nan 0.000 0.429 258 D N 4.573 124.923 120.400 -0.083 0.000 2.583 258 D HA -0.104 4.528 4.640 -0.014 0.000 0.232 258 D C 0.251 176.475 176.300 -0.126 0.000 1.128 258 D CA 0.720 54.670 54.000 -0.083 0.000 0.859 258 D CB 0.380 41.149 40.800 -0.052 0.000 1.169 258 D HN 0.542 nan 8.370 nan 0.000 0.481 259 N N 1.976 120.607 118.700 -0.115 0.000 2.696 259 N HA -0.179 4.553 4.740 -0.014 0.000 0.256 259 N C 0.397 175.743 175.510 -0.272 0.000 1.031 259 N CA 1.088 54.063 53.050 -0.126 0.000 0.730 259 N CB -1.438 37.011 38.487 -0.062 0.000 0.894 259 N HN 0.584 nan 8.380 nan 0.000 0.544 260 T N -4.928 109.414 114.554 -0.354 0.000 3.332 260 T HA 0.189 4.531 4.350 -0.014 0.000 0.304 260 T C 1.046 175.563 174.700 -0.304 0.000 0.971 260 T CA -0.401 61.295 62.100 -0.674 0.000 0.954 260 T CB 0.543 68.859 68.868 -0.921 0.000 1.175 260 T HN 0.134 nan 8.240 nan 0.000 0.519 261 E N 2.351 122.461 120.200 -0.151 0.000 2.187 261 E HA -0.201 4.141 4.350 -0.014 0.000 0.199 261 E C 1.559 178.147 176.600 -0.021 0.000 1.004 261 E CA 1.651 58.011 56.400 -0.067 0.000 0.813 261 E CB -0.055 29.621 29.700 -0.040 0.000 0.736 261 E HN 0.761 nan 8.360 nan 0.000 0.468 262 D N -0.470 119.937 120.400 0.012 0.000 2.349 262 D HA -0.042 4.589 4.640 -0.014 0.000 0.224 262 D C 1.618 177.991 176.300 0.122 0.000 1.029 262 D CA 0.705 54.744 54.000 0.064 0.000 0.879 262 D CB -0.226 40.625 40.800 0.085 0.000 0.906 262 D HN 0.126 nan 8.370 nan 0.000 0.528 263 G N 0.832 109.720 108.800 0.146 0.000 2.453 263 G HA2 -0.023 3.929 3.960 -0.014 0.000 0.215 263 G HA3 -0.023 3.929 3.960 -0.014 0.000 0.215 263 G C 0.883 175.855 174.900 0.120 0.000 1.201 263 G CA 0.272 45.513 45.100 0.235 0.000 0.784 263 G HN 0.366 nan 8.290 nan 0.000 0.545 264 I N 0.877 121.488 120.570 0.067 0.000 2.448 264 I HA 0.340 4.501 4.170 -0.014 0.000 0.281 264 I C -1.142 174.969 176.117 -0.009 0.000 1.027 264 I CA -0.562 60.761 61.300 0.038 0.000 1.111 264 I CB 2.556 40.582 38.000 0.043 0.000 1.236 264 I HN -0.210 nan 8.210 nan 0.000 0.452 265 V N 7.368 127.271 119.914 -0.019 0.000 2.417 265 V HA 0.487 4.598 4.120 -0.014 0.000 0.291 265 V C -0.015 176.011 176.094 -0.113 0.000 1.024 265 V CA -0.474 61.793 62.300 -0.054 0.000 0.861 265 V CB 1.946 33.757 31.823 -0.019 0.000 0.985 265 V HN 0.477 nan 8.190 nan 0.000 0.436 266 L N 4.359 125.438 121.223 -0.239 0.000 2.334 266 L HA 0.982 5.313 4.340 -0.014 0.000 0.276 266 L C 0.492 177.194 176.870 -0.280 0.000 1.014 266 L CA -0.284 54.287 54.840 -0.449 0.000 0.815 266 L CB 2.016 43.409 42.059 -1.110 0.000 1.268 266 L HN 0.780 nan 8.230 nan 0.000 0.428 267 G N 1.213 109.994 108.800 -0.031 0.000 2.660 267 G HA2 0.593 4.545 3.960 -0.014 0.000 0.290 267 G HA3 0.593 4.545 3.960 -0.014 0.000 0.290 267 G C -1.870 173.232 174.900 0.336 0.000 1.432 267 G CA -0.435 44.799 45.100 0.224 0.000 0.807 267 G HN 0.231 nan 8.290 nan 0.000 0.485 268 V N 1.918 122.001 119.914 0.282 0.000 2.357 268 V HA 0.430 4.541 4.120 -0.014 0.000 0.284 268 V C -0.648 175.514 176.094 0.114 0.000 1.018 268 V CA -1.103 61.319 62.300 0.203 0.000 0.841 268 V CB 1.104 33.039 31.823 0.187 0.000 0.991 268 V HN 0.613 nan 8.190 nan 0.000 0.437 269 N N 2.530 121.263 118.700 0.055 0.000 2.477 269 N HA 0.283 5.015 4.740 -0.014 0.000 0.284 269 N C 1.290 176.781 175.510 -0.031 0.000 1.182 269 N CA -0.599 52.456 53.050 0.009 0.000 0.949 269 N CB 0.972 39.408 38.487 -0.085 0.000 1.204 269 N HN 0.836 nan 8.380 nan 0.000 0.526 270 H N 0.443 119.529 119.070 0.027 0.000 2.457 270 H HA -0.092 4.456 4.556 -0.013 0.000 0.297 270 H C -0.034 175.297 175.328 0.005 0.000 1.092 270 H CA 1.336 57.395 56.048 0.019 0.000 1.309 270 H CB -0.058 29.712 29.762 0.013 0.000 1.382 270 H HN 0.495 nan 8.280 nan 0.000 0.535 271 N N 0.520 118.878 118.700 -0.571 0.000 2.234 271 N HA 0.292 5.023 4.740 -0.014 0.000 0.227 271 N C 0.426 175.816 175.510 -0.199 0.000 1.151 271 N CA 0.345 53.181 53.050 -0.356 0.000 0.865 271 N CB 1.060 39.277 38.487 -0.450 0.000 1.066 271 N HN 0.613 nan 8.380 nan 0.000 0.515 272 G N -0.089 108.631 108.800 -0.134 0.000 2.339 272 G HA2 0.124 4.076 3.960 -0.014 0.000 0.381 272 G HA3 0.124 4.076 3.960 -0.014 0.000 0.381 272 G C -1.458 173.417 174.900 -0.041 0.000 1.400 272 G CA -1.071 43.985 45.100 -0.072 0.000 1.002 272 G HN 0.129 nan 8.290 nan 0.000 0.633 273 I N 0.447 120.999 120.570 -0.030 0.000 2.638 273 I HA 0.564 4.725 4.170 -0.014 0.000 0.286 273 I C 0.972 177.106 176.117 0.029 0.000 1.088 273 I CA 0.028 61.349 61.300 0.035 0.000 1.397 273 I CB 1.702 39.705 38.000 0.004 0.000 1.414 273 I HN 0.624 nan 8.210 nan 0.000 0.566 274 T N 4.203 118.793 114.554 0.060 0.000 2.864 274 T HA 0.458 4.800 4.350 -0.014 0.000 0.299 274 T C -1.709 173.006 174.700 0.024 0.000 1.166 274 T CA -0.473 61.644 62.100 0.028 0.000 1.007 274 T CB 1.525 70.399 68.868 0.009 0.000 1.219 274 T HN 0.737 nan 8.240 nan 0.000 0.506 275 C N 2.826 122.143 119.300 0.030 0.000 2.397 275 C HA 0.721 5.173 4.460 -0.014 0.000 0.325 275 C C -0.863 174.135 174.990 0.012 0.000 1.201 275 C CA -0.381 58.661 59.018 0.040 0.000 1.377 275 C CB 0.069 27.931 27.740 0.204 0.000 2.038 275 C HN 0.969 nan 8.230 nan 0.000 0.457 276 E N 5.258 125.458 120.200 0.001 0.000 2.113 276 E HA 0.522 4.864 4.350 -0.014 0.000 0.273 276 E C -0.954 175.656 176.600 0.016 0.000 0.924 276 E CA -0.177 56.222 56.400 -0.002 0.000 0.764 276 E CB 1.370 31.068 29.700 -0.003 0.000 1.104 276 E HN 0.644 nan 8.360 nan 0.000 0.406 277 L N 2.003 123.236 121.223 0.016 0.000 2.309 277 L HA 0.386 4.718 4.340 -0.014 0.000 0.282 277 L C 0.400 177.278 176.870 0.014 0.000 1.036 277 L CA -0.734 54.124 54.840 0.031 0.000 0.806 277 L CB 1.698 43.782 42.059 0.041 0.000 1.220 277 L HN 0.421 nan 8.230 nan 0.000 0.429 278 S N 0.934 116.649 115.700 0.025 0.000 2.610 278 S HA 0.140 4.601 4.470 -0.014 0.000 0.273 278 S C 0.987 175.554 174.600 -0.054 0.000 1.274 278 S CA -0.568 57.634 58.200 0.004 0.000 1.023 278 S CB 1.009 64.243 63.200 0.056 0.000 0.962 278 S HN 0.645 nan 8.310 nan 0.000 0.523 279 E N 3.125 123.284 120.200 -0.068 0.000 2.204 279 E HA -0.119 4.223 4.350 -0.014 0.000 0.194 279 E C 1.177 177.677 176.600 -0.167 0.000 0.989 279 E CA 1.121 57.466 56.400 -0.091 0.000 0.824 279 E CB -0.416 29.241 29.700 -0.071 0.000 0.756 279 E HN 0.745 nan 8.360 nan 0.000 0.477 280 N N 0.758 119.304 118.700 -0.257 0.000 2.515 280 N HA 0.013 4.745 4.740 -0.014 0.000 0.185 280 N C 1.859 176.866 175.510 -0.839 0.000 1.109 280 N CA -0.226 52.496 53.050 -0.546 0.000 0.903 280 N CB 0.157 38.228 38.487 -0.693 0.000 0.969 280 N HN 0.064 nan 8.380 nan 0.000 0.450 281 L N 2.180 123.149 121.223 -0.423 0.000 1.990 281 L HA -0.120 4.211 4.340 -0.014 0.000 0.213 281 L C -0.592 176.152 176.870 -0.210 0.000 1.072 281 L CA 1.900 56.612 54.840 -0.213 0.000 0.755 281 L CB -1.199 40.829 42.059 -0.051 0.000 0.889 281 L HN 0.144 nan 8.230 nan 0.000 0.432 282 P HA -0.136 nan 4.420 nan 0.000 0.218 282 P C 1.442 178.696 177.300 -0.078 0.000 1.148 282 P CA 1.922 64.956 63.100 -0.111 0.000 0.822 282 P CB -0.272 31.380 31.700 -0.080 0.000 0.784 283 G N -1.240 107.463 108.800 -0.162 0.000 2.421 283 G HA2 -0.223 3.728 3.960 -0.014 0.000 0.217 283 G HA3 -0.223 3.728 3.960 -0.014 0.000 0.217 283 G C 1.255 176.187 174.900 0.054 0.000 1.143 283 G CA 0.311 45.371 45.100 -0.067 0.000 0.784 283 G HN 0.156 nan 8.290 nan 0.000 0.541 284 Y N 0.590 120.880 120.300 -0.016 0.000 2.263 284 Y HA 0.154 4.694 4.550 -0.016 0.000 0.292 284 Y C 2.643 178.487 175.900 -0.094 0.000 1.130 284 Y CA -0.346 57.727 58.100 -0.046 0.000 1.179 284 Y CB -0.538 37.880 38.460 -0.069 0.000 0.998 284 Y HN 0.139 nan 8.280 nan 0.000 0.532 285 I N -1.205 119.351 120.570 -0.024 0.000 2.163 285 I HA -0.323 3.839 4.170 -0.014 0.000 0.240 285 I C 2.332 178.452 176.117 0.005 0.000 1.081 285 I CA 1.529 62.711 61.300 -0.195 0.000 1.353 285 I CB -0.534 37.242 38.000 -0.374 0.000 1.054 285 I HN 0.112 nan 8.210 nan 0.000 0.407 286 F N 2.192 122.112 119.950 -0.051 0.000 2.095 286 F HA -0.291 4.227 4.527 -0.015 0.000 0.298 286 F C 2.687 178.482 175.800 -0.008 0.000 1.104 286 F CA 1.966 59.955 58.000 -0.019 0.000 1.232 286 F CB -0.470 38.516 39.000 -0.024 0.000 0.987 286 F HN 0.112 nan 8.300 nan 0.000 0.475 287 S N -0.926 114.656 115.700 -0.196 0.000 2.558 287 S HA 0.212 4.674 4.470 -0.014 0.000 0.217 287 S C 1.992 176.483 174.600 -0.183 0.000 0.975 287 S CA 0.306 58.324 58.200 -0.303 0.000 0.912 287 S CB -0.416 62.765 63.200 -0.032 0.000 0.776 287 S HN 0.438 nan 8.310 nan 0.000 0.526 288 G N 1.216 109.956 108.800 -0.100 0.000 2.608 288 G HA2 0.139 4.091 3.960 -0.014 0.000 0.210 288 G HA3 0.139 4.091 3.960 -0.014 0.000 0.210 288 G C 1.214 176.069 174.900 -0.075 0.000 1.139 288 G CA 0.506 45.575 45.100 -0.051 0.000 0.812 288 G HN 0.383 nan 8.290 nan 0.000 0.529 289 V N 2.041 121.897 119.914 -0.098 0.000 2.216 289 V HA -0.128 3.984 4.120 -0.014 0.000 0.243 289 V C 3.330 179.292 176.094 -0.220 0.000 1.044 289 V CA 2.202 64.393 62.300 -0.182 0.000 0.995 289 V CB -1.168 30.553 31.823 -0.169 0.000 0.633 289 V HN 0.417 nan 8.190 nan 0.000 0.446 290 A N 1.384 124.070 122.820 -0.223 0.000 1.881 290 A HA -0.230 4.082 4.320 -0.014 0.000 0.219 290 A C 0.860 178.350 177.584 -0.158 0.000 1.215 290 A CA 2.775 54.698 52.037 -0.191 0.000 0.648 290 A CB -2.295 16.570 19.000 -0.225 0.000 0.832 290 A HN 0.608 nan 8.150 nan 0.000 0.455 291 P HA -0.109 nan 4.420 nan 0.000 0.215 291 P C 1.610 178.829 177.300 -0.135 0.000 1.153 291 P CA 1.907 64.929 63.100 -0.130 0.000 0.853 291 P CB -0.347 31.282 31.700 -0.119 0.000 0.788 292 V N 0.205 120.026 119.914 -0.155 0.000 2.307 292 V HA -0.160 3.952 4.120 -0.014 0.000 0.245 292 V C 2.888 178.776 176.094 -0.343 0.000 1.045 292 V CA 1.583 63.759 62.300 -0.206 0.000 1.024 292 V CB -1.397 30.329 31.823 -0.162 0.000 0.651 292 V HN -0.078 nan 8.190 nan 0.000 0.449 293 V N 0.241 119.968 119.914 -0.313 0.000 2.407 293 V HA -0.266 3.846 4.120 -0.014 0.000 0.248 293 V C 2.619 178.642 176.094 -0.118 0.000 1.055 293 V CA 2.648 64.793 62.300 -0.258 0.000 1.049 293 V CB -0.957 30.842 31.823 -0.041 0.000 0.662 293 V HN 0.619 nan 8.190 nan 0.000 0.455 294 T N -0.783 113.726 114.554 -0.076 0.000 2.777 294 T HA -0.189 4.153 4.350 -0.014 0.000 0.266 294 T C 1.921 176.629 174.700 0.014 0.000 1.040 294 T CA 1.656 63.752 62.100 -0.007 0.000 1.141 294 T CB -0.143 68.710 68.868 -0.024 0.000 0.868 294 T HN 0.446 nan 8.240 nan 0.000 0.444 295 E N 0.964 121.134 120.200 -0.050 0.000 2.072 295 E HA -0.061 4.281 4.350 -0.014 0.000 0.191 295 E C 2.116 178.744 176.600 0.047 0.000 0.985 295 E CA 0.814 57.205 56.400 -0.014 0.000 0.801 295 E CB -0.310 29.347 29.700 -0.071 0.000 0.750 295 E HN 0.248 nan 8.360 nan 0.000 0.452 296 M N 0.063 119.612 119.600 -0.085 0.000 2.117 296 M HA -0.123 4.349 4.480 -0.014 0.000 0.262 296 M C 1.915 178.215 176.300 0.000 0.000 1.065 296 M CA 1.486 56.732 55.300 -0.091 0.000 1.114 296 M CB -0.536 31.832 32.600 -0.387 0.000 1.361 296 M HN 0.235 nan 8.290 nan 0.000 0.408 297 L N -1.407 119.817 121.223 0.002 0.000 2.083 297 L HA -0.229 4.103 4.340 -0.014 0.000 0.209 297 L C 2.374 179.282 176.870 0.064 0.000 1.083 297 L CA 1.484 56.342 54.840 0.030 0.000 0.752 297 L CB -0.877 41.214 42.059 0.053 0.000 0.899 297 L HN 0.470 nan 8.230 nan 0.000 0.433 298 W N 1.591 122.868 121.300 -0.039 0.000 2.342 298 W HA -0.232 4.418 4.660 -0.016 0.000 0.297 298 W C 2.178 178.683 176.519 -0.023 0.000 1.213 298 W CA 1.623 58.952 57.345 -0.027 0.000 1.251 298 W CB -0.053 29.389 29.460 -0.030 0.000 1.136 298 W HN 0.163 nan 8.180 nan 0.000 0.526 299 D N -0.310 120.212 120.400 0.203 0.000 2.221 299 D HA -0.167 4.465 4.640 -0.014 0.000 0.204 299 D C 0.672 176.906 176.300 -0.110 0.000 0.982 299 D CA 1.307 55.348 54.000 0.068 0.000 0.857 299 D CB -0.479 40.399 40.800 0.130 0.000 0.934 299 D HN 0.349 nan 8.370 nan 0.000 0.475 300 N N -0.755 117.883 118.700 -0.103 0.000 2.273 300 N HA 0.290 5.021 4.740 -0.014 0.000 0.231 300 N C 0.649 176.058 175.510 -0.168 0.000 1.134 300 N CA 0.246 53.227 53.050 -0.114 0.000 0.856 300 N CB 1.158 39.612 38.487 -0.056 0.000 1.068 300 N HN 0.009 nan 8.380 nan 0.000 0.510 301 G N 0.531 109.155 108.800 -0.293 0.000 2.249 301 G HA2 -0.274 3.678 3.960 -0.014 0.000 0.273 301 G HA3 -0.274 3.678 3.960 -0.014 0.000 0.273 301 G C -0.332 174.464 174.900 -0.173 0.000 1.036 301 G CA 0.442 45.361 45.100 -0.301 0.000 0.824 301 G HN 0.292 nan 8.290 nan 0.000 0.504 302 L N -1.802 119.350 121.223 -0.118 0.000 2.327 302 L HA 0.732 5.064 4.340 -0.014 0.000 0.258 302 L C 0.245 177.132 176.870 0.028 0.000 1.024 302 L CA -1.237 53.577 54.840 -0.042 0.000 0.825 302 L CB 1.976 44.008 42.059 -0.045 0.000 1.386 302 L HN 0.238 nan 8.230 nan 0.000 0.417 303 Q N -0.125 119.708 119.800 0.055 0.000 2.495 303 Q HA 0.490 4.821 4.340 -0.014 0.000 0.283 303 Q C 0.627 176.709 176.000 0.137 0.000 1.097 303 Q CA -0.897 54.967 55.803 0.101 0.000 0.836 303 Q CB 2.631 31.424 28.738 0.092 0.000 1.426 303 Q HN 0.492 nan 8.270 nan 0.000 0.459 304 I N 0.441 121.121 120.570 0.183 0.000 2.361 304 I HA -0.273 3.889 4.170 -0.014 0.000 0.251 304 I C 2.108 178.420 176.117 0.325 0.000 1.133 304 I CA 1.624 63.117 61.300 0.321 0.000 1.413 304 I CB -0.282 37.846 38.000 0.214 0.000 1.073 304 I HN 0.660 nan 8.210 nan 0.000 0.424 305 S N -0.336 115.476 115.700 0.187 0.000 2.474 305 S HA -0.132 4.330 4.470 -0.014 0.000 0.235 305 S C 1.398 176.074 174.600 0.126 0.000 0.997 305 S CA 0.835 59.128 58.200 0.155 0.000 0.949 305 S CB -0.327 62.932 63.200 0.099 0.000 0.766 305 S HN 0.399 nan 8.310 nan 0.000 0.517 306 D N 1.176 121.634 120.400 0.097 0.000 2.277 306 D HA 0.132 4.764 4.640 -0.014 0.000 0.208 306 D C 0.400 176.696 176.300 -0.006 0.000 0.962 306 D CA 0.288 54.308 54.000 0.034 0.000 0.865 306 D CB -0.038 40.763 40.800 0.001 0.000 0.939 306 D HN 0.365 nan 8.370 nan 0.000 0.510 307 I N 2.707 123.279 120.570 0.003 0.000 2.533 307 I HA 0.008 4.170 4.170 -0.014 0.000 0.284 307 I C 0.365 176.387 176.117 -0.158 0.000 1.109 307 I CA 0.002 61.185 61.300 -0.196 0.000 1.412 307 I CB 0.244 37.908 38.000 -0.560 0.000 1.396 307 I HN -0.207 nan 8.210 nan 0.000 0.543 308 D N 8.077 128.340 120.400 -0.228 0.000 2.233 308 D HA 0.578 5.210 4.640 -0.014 0.000 0.240 308 D C -0.087 176.069 176.300 -0.240 0.000 1.074 308 D CA -0.387 53.535 54.000 -0.130 0.000 0.838 308 D CB 2.212 42.960 40.800 -0.087 0.000 1.124 308 D HN 0.362 nan 8.370 nan 0.000 0.475 309 L N 1.149 122.295 121.223 -0.129 0.000 2.178 309 L HA -0.198 4.133 4.340 -0.014 0.000 0.544 309 L C -1.483 175.196 176.870 -0.319 0.000 1.001 309 L CA -0.059 54.718 54.840 -0.104 0.000 1.227 309 L CB -0.676 41.350 42.059 -0.054 0.000 1.826 309 L HN 0.646 nan 8.230 nan 0.000 0.953 310 W N 3.401 124.730 121.300 0.048 0.000 2.453 310 W HA 0.648 5.295 4.660 -0.021 0.000 0.310 310 W C 0.267 176.771 176.519 -0.024 0.000 1.000 310 W CA -0.311 57.046 57.345 0.020 0.000 1.367 310 W CB 1.861 31.341 29.460 0.034 0.000 1.269 310 W HN 0.624 nan 8.180 nan 0.000 0.418 311 A N 5.246 128.150 122.820 0.141 0.000 3.004 311 A HA 0.432 4.744 4.320 -0.014 0.000 0.286 311 A C -0.122 177.355 177.584 -0.178 0.000 1.632 311 A CA -0.233 51.827 52.037 0.039 0.000 1.339 311 A CB -0.635 18.421 19.000 0.094 0.000 1.136 311 A HN 0.620 nan 8.150 nan 0.000 0.577 312 I N 1.922 122.348 120.570 -0.239 0.000 2.416 312 I HA 0.053 4.215 4.170 -0.014 0.000 0.288 312 I C 0.794 176.760 176.117 -0.252 0.000 1.051 312 I CA -0.639 60.385 61.300 -0.460 0.000 1.375 312 I CB 0.584 38.411 38.000 -0.287 0.000 1.407 312 I HN 0.666 nan 8.210 nan 0.000 0.516 313 H N 9.564 128.477 119.070 -0.261 0.000 3.187 313 H HA 0.027 4.558 4.556 -0.042 0.000 0.286 313 H C -1.974 173.306 175.328 -0.081 0.000 0.944 313 H CA -1.373 54.599 56.048 -0.127 0.000 1.429 313 H CB 0.463 30.179 29.762 -0.076 0.000 1.483 313 H HN 0.263 nan 8.280 nan 0.000 0.555 314 P HA 0.098 nan 4.420 nan 0.000 0.225 314 P C 0.743 177.656 177.300 -0.645 0.000 1.813 314 P CA 0.144 62.909 63.100 -0.558 0.000 1.013 314 P CB 0.048 31.547 31.700 -0.335 0.000 1.961 315 G N 0.511 108.925 108.800 -0.643 0.000 2.650 315 G HA2 0.308 4.259 3.960 -0.014 0.000 0.214 315 G HA3 0.308 4.259 3.960 -0.014 0.000 0.214 315 G C 0.659 175.548 174.900 -0.018 0.000 1.136 315 G CA 0.395 45.382 45.100 -0.188 0.000 0.789 315 G HN 0.670 nan 8.290 nan 0.000 0.536 316 G N -1.297 107.461 108.800 -0.070 0.000 2.358 316 G HA2 0.350 4.301 3.960 -0.014 0.000 0.303 316 G HA3 0.350 4.301 3.960 -0.014 0.000 0.303 316 G C -2.027 172.863 174.900 -0.017 0.000 1.537 316 G CA -0.051 45.051 45.100 0.004 0.000 0.928 316 G HN -0.137 nan 8.290 nan 0.000 0.656 317 P HA -0.221 nan 4.420 nan 0.000 0.217 317 P C 1.420 178.808 177.300 0.146 0.000 1.158 317 P CA 1.648 64.884 63.100 0.227 0.000 0.887 317 P CB 0.134 32.017 31.700 0.306 0.000 0.792 318 K N -0.760 119.694 120.400 0.090 0.000 2.147 318 K HA -0.050 4.262 4.320 -0.014 0.000 0.205 318 K C 2.364 178.987 176.600 0.038 0.000 1.049 318 K CA 1.055 57.378 56.287 0.060 0.000 0.936 318 K CB -0.404 32.112 32.500 0.027 0.000 0.722 318 K HN 0.239 nan 8.250 nan 0.000 0.446 319 I N 0.747 121.332 120.570 0.024 0.000 2.286 319 I HA -0.226 3.936 4.170 -0.014 0.000 0.245 319 I C 2.214 178.369 176.117 0.062 0.000 1.104 319 I CA 1.090 62.419 61.300 0.050 0.000 1.397 319 I CB -0.224 37.843 38.000 0.111 0.000 1.072 319 I HN 0.080 nan 8.210 nan 0.000 0.417 320 I N 0.675 121.186 120.570 -0.098 0.000 2.202 320 I HA -0.275 3.886 4.170 -0.014 0.000 0.242 320 I C 2.570 178.674 176.117 -0.022 0.000 1.091 320 I CA 1.360 62.523 61.300 -0.227 0.000 1.368 320 I CB -0.441 37.025 38.000 -0.890 0.000 1.058 320 I HN 0.265 nan 8.210 nan 0.000 0.410 321 E N 0.710 120.955 120.200 0.075 0.000 2.068 321 E HA -0.310 4.032 4.350 -0.014 0.000 0.207 321 E C 2.241 178.929 176.600 0.146 0.000 1.032 321 E CA 1.772 58.290 56.400 0.196 0.000 0.839 321 E CB 0.069 29.881 29.700 0.187 0.000 0.758 321 E HN 0.377 nan 8.360 nan 0.000 0.457 322 Q N -0.145 119.730 119.800 0.124 0.000 2.230 322 Q HA -0.039 4.293 4.340 -0.014 0.000 0.202 322 Q C 2.336 178.473 176.000 0.228 0.000 0.963 322 Q CA 0.932 56.835 55.803 0.167 0.000 0.866 322 Q CB -0.061 28.754 28.738 0.128 0.000 0.931 322 Q HN 0.168 nan 8.270 nan 0.000 0.452 323 S N 0.314 116.148 115.700 0.224 0.000 2.368 323 S HA -0.082 4.380 4.470 -0.014 0.000 0.224 323 S C 2.138 176.853 174.600 0.192 0.000 1.029 323 S CA 1.018 59.404 58.200 0.310 0.000 0.988 323 S CB -0.111 63.396 63.200 0.513 0.000 0.838 323 S HN 0.142 nan 8.310 nan 0.000 0.462 324 V N 1.647 121.643 119.914 0.135 0.000 2.358 324 V HA -0.120 3.992 4.120 -0.014 0.000 0.246 324 V C 2.466 178.598 176.094 0.063 0.000 1.047 324 V CA 1.714 64.046 62.300 0.053 0.000 1.035 324 V CB -0.555 31.325 31.823 0.094 0.000 0.658 324 V HN 0.360 nan 8.190 nan 0.000 0.452 325 R N -0.132 120.454 120.500 0.144 0.000 2.075 325 R HA -0.160 4.171 4.340 -0.014 0.000 0.232 325 R C 2.642 179.106 176.300 0.274 0.000 1.126 325 R CA 1.708 57.922 56.100 0.191 0.000 0.963 325 R CB -0.487 29.920 30.300 0.178 0.000 0.858 325 R HN 0.447 nan 8.270 nan 0.000 0.435 326 S N 0.389 116.264 115.700 0.292 0.000 2.374 326 S HA -0.122 4.340 4.470 -0.014 0.000 0.227 326 S C 1.798 176.346 174.600 -0.087 0.000 1.037 326 S CA 1.394 59.582 58.200 -0.021 0.000 1.024 326 S CB -0.159 62.970 63.200 -0.119 0.000 0.861 326 S HN 0.383 nan 8.310 nan 0.000 0.456 327 L N 0.432 121.603 121.223 -0.085 0.000 2.395 327 L HA 0.203 4.535 4.340 -0.014 0.000 0.218 327 L C 1.672 178.472 176.870 -0.117 0.000 1.130 327 L CA 0.446 55.180 54.840 -0.177 0.000 0.826 327 L CB -0.648 41.167 42.059 -0.408 0.000 0.941 327 L HN 0.543 nan 8.230 nan 0.000 0.451 328 G N 1.178 109.954 108.800 -0.041 0.000 2.246 328 G HA2 -0.274 3.677 3.960 -0.014 0.000 0.273 328 G HA3 -0.274 3.677 3.960 -0.014 0.000 0.273 328 G C 0.104 174.986 174.900 -0.031 0.000 1.055 328 G CA 0.110 45.206 45.100 -0.006 0.000 0.851 328 G HN 0.290 nan 8.290 nan 0.000 0.500 329 I N -0.167 120.357 120.570 -0.077 0.000 2.822 329 I HA 0.454 4.616 4.170 -0.014 0.000 0.312 329 I C 1.131 177.241 176.117 -0.011 0.000 1.011 329 I CA -0.810 60.444 61.300 -0.076 0.000 1.105 329 I CB 1.791 39.643 38.000 -0.247 0.000 1.291 329 I HN 0.205 nan 8.210 nan 0.000 0.474 330 S N 2.292 118.009 115.700 0.028 0.000 2.549 330 S HA 0.141 4.602 4.470 -0.014 0.000 0.286 330 S C 1.107 175.755 174.600 0.081 0.000 1.314 330 S CA 0.081 58.315 58.200 0.057 0.000 1.062 330 S CB 1.161 64.403 63.200 0.071 0.000 0.865 330 S HN 0.686 nan 8.310 nan 0.000 0.498 331 A N 4.157 127.034 122.820 0.095 0.000 2.070 331 A HA -0.065 4.246 4.320 -0.014 0.000 0.220 331 A C 1.862 179.557 177.584 0.185 0.000 1.159 331 A CA 1.681 53.811 52.037 0.155 0.000 0.656 331 A CB -0.613 18.458 19.000 0.118 0.000 0.800 331 A HN 0.963 nan 8.150 nan 0.000 0.453 332 E N -0.409 119.870 120.200 0.132 0.000 2.274 332 E HA -0.012 4.330 4.350 -0.014 0.000 0.194 332 E C 1.267 177.972 176.600 0.174 0.000 0.996 332 E CA 0.391 56.873 56.400 0.137 0.000 0.840 332 E CB -0.171 29.586 29.700 0.095 0.000 0.772 332 E HN 0.617 nan 8.360 nan 0.000 0.491 333 L N -0.034 121.299 121.223 0.184 0.000 2.610 333 L HA 0.043 4.374 4.340 -0.014 0.000 0.232 333 L C 1.394 178.419 176.870 0.257 0.000 1.149 333 L CA -0.015 54.967 54.840 0.237 0.000 0.872 333 L CB 0.139 42.376 42.059 0.296 0.000 0.992 333 L HN 0.080 nan 8.230 nan 0.000 0.447 334 A N -1.171 121.797 122.820 0.247 0.000 2.564 334 A HA 0.498 4.810 4.320 -0.014 0.000 0.279 334 A C 1.963 179.737 177.584 0.316 0.000 1.232 334 A CA 0.511 52.680 52.037 0.220 0.000 0.950 334 A CB 0.049 19.158 19.000 0.182 0.000 1.138 334 A HN 0.239 nan 8.150 nan 0.000 0.526 335 A N 0.175 123.180 122.820 0.310 0.000 1.908 335 A HA -0.203 4.108 4.320 -0.014 0.000 0.218 335 A C 2.005 179.736 177.584 0.244 0.000 1.181 335 A CA 2.010 54.230 52.037 0.305 0.000 0.627 335 A CB -0.404 18.713 19.000 0.195 0.000 0.818 335 A HN 0.503 nan 8.150 nan 0.000 0.445 336 Q N 0.093 119.997 119.800 0.173 0.000 2.096 336 Q HA -0.107 4.225 4.340 -0.014 0.000 0.204 336 Q C 2.416 178.482 176.000 0.110 0.000 0.982 336 Q CA 2.052 57.937 55.803 0.136 0.000 0.850 336 Q CB -0.366 28.440 28.738 0.113 0.000 0.901 336 Q HN 0.640 nan 8.270 nan 0.000 0.422 337 S N -0.577 115.148 115.700 0.042 0.000 2.368 337 S HA -0.126 4.335 4.470 -0.014 0.000 0.224 337 S C 1.405 175.950 174.600 -0.090 0.000 1.029 337 S CA 0.933 59.081 58.200 -0.087 0.000 0.988 337 S CB -0.399 62.660 63.200 -0.235 0.000 0.838 337 S HN 0.458 nan 8.310 nan 0.000 0.462 338 W N 1.909 123.238 121.300 0.048 0.000 2.358 338 W HA -0.106 4.554 4.660 0.000 0.000 0.303 338 W C 2.273 178.820 176.519 0.047 0.000 1.208 338 W CA 0.895 58.264 57.345 0.040 0.000 1.274 338 W CB -0.482 29.001 29.460 0.039 0.000 1.138 338 W HN 0.318 nan 8.180 nan 0.000 0.515 339 D N -0.026 120.548 120.400 0.290 0.000 2.092 339 D HA -0.207 4.425 4.640 -0.014 0.000 0.193 339 D C 1.985 178.400 176.300 0.191 0.000 0.994 339 D CA 2.054 56.176 54.000 0.203 0.000 0.828 339 D CB -0.349 40.558 40.800 0.178 0.000 0.963 339 D HN -0.076 nan 8.370 nan 0.000 0.450 340 V N 0.993 121.038 119.914 0.218 0.000 2.287 340 V HA -0.206 3.906 4.120 -0.014 0.000 0.248 340 V C 2.537 178.770 176.094 0.232 0.000 1.053 340 V CA 1.468 63.959 62.300 0.319 0.000 1.027 340 V CB -0.669 31.288 31.823 0.223 0.000 0.646 340 V HN 0.422 nan 8.190 nan 0.000 0.447 341 L N 0.581 121.871 121.223 0.113 0.000 2.079 341 L HA -0.169 4.162 4.340 -0.014 0.000 0.210 341 L C 2.450 179.381 176.870 0.101 0.000 1.081 341 L CA 2.699 57.585 54.840 0.076 0.000 0.752 341 L CB -1.072 41.010 42.059 0.038 0.000 0.896 341 L HN 0.366 nan 8.230 nan 0.000 0.433 342 A N -0.022 122.869 122.820 0.119 0.000 1.929 342 A HA -0.170 4.141 4.320 -0.014 0.000 0.216 342 A C 2.261 179.824 177.584 -0.035 0.000 1.176 342 A CA 1.247 53.327 52.037 0.072 0.000 0.628 342 A CB -0.355 18.700 19.000 0.092 0.000 0.816 342 A HN 0.503 nan 8.150 nan 0.000 0.444 343 R N -2.588 117.834 120.500 -0.130 0.000 2.210 343 R HA 0.197 4.528 4.340 -0.014 0.000 0.203 343 R C 0.466 176.287 176.300 -0.797 0.000 1.010 343 R CA 0.911 56.721 56.100 -0.484 0.000 1.008 343 R CB 0.040 29.934 30.300 -0.678 0.000 0.923 343 R HN 0.562 nan 8.270 nan 0.000 0.469 344 F N -1.262 118.704 119.950 0.026 0.000 2.880 344 F HA 0.365 4.903 4.527 0.018 0.000 0.346 344 F C 1.215 176.985 175.800 -0.050 0.000 1.054 344 F CA 0.275 58.256 58.000 -0.032 0.000 1.151 344 F CB 0.745 39.659 39.000 -0.143 0.000 1.066 344 F HN 0.107 nan 8.300 nan 0.000 0.566 345 G N 1.584 110.451 108.800 0.110 0.000 2.593 345 G HA2 -0.287 3.664 3.960 -0.014 0.000 0.237 345 G HA3 -0.287 3.664 3.960 -0.014 0.000 0.237 345 G C -0.704 174.213 174.900 0.028 0.000 1.312 345 G CA -0.280 44.867 45.100 0.079 0.000 0.896 345 G HN 0.390 nan 8.290 nan 0.000 0.574 346 N N 0.314 119.024 118.700 0.015 0.000 2.457 346 N HA 0.614 5.345 4.740 -0.014 0.000 0.250 346 N C 0.643 176.048 175.510 -0.174 0.000 0.982 346 N CA -0.445 52.551 53.050 -0.091 0.000 0.941 346 N CB 0.633 39.072 38.487 -0.079 0.000 1.120 346 N HN 0.496 nan 8.380 nan 0.000 0.505 347 M N 4.141 123.627 119.600 -0.191 0.000 2.738 347 M HA 0.161 4.632 4.480 -0.014 0.000 0.295 347 M C -0.136 176.046 176.300 -0.197 0.000 1.266 347 M CA -0.468 54.699 55.300 -0.220 0.000 0.985 347 M CB -0.010 32.397 32.600 -0.321 0.000 1.365 347 M HN 0.388 nan 8.290 nan 0.000 0.492 348 L N -0.916 120.184 121.223 -0.206 0.000 6.519 348 L HA -0.435 3.897 4.340 -0.014 0.000 0.053 348 L C 1.974 178.769 176.870 -0.126 0.000 1.992 348 L CA 2.298 57.021 54.840 -0.195 0.000 1.661 348 L CB -2.096 39.823 42.059 -0.233 0.000 2.744 348 L HN 0.593 nan 8.230 nan 0.000 1.041 349 S N -1.461 114.159 115.700 -0.135 0.000 2.402 349 S HA -0.163 4.299 4.470 -0.014 0.000 0.233 349 S C 1.685 176.246 174.600 -0.065 0.000 1.030 349 S CA 1.742 59.878 58.200 -0.107 0.000 1.003 349 S CB -0.782 62.378 63.200 -0.066 0.000 0.813 349 S HN 0.410 nan 8.310 nan 0.000 0.477 350 V N 1.995 121.867 119.914 -0.070 0.000 2.427 350 V HA -0.136 3.975 4.120 -0.014 0.000 0.248 350 V C 2.808 178.860 176.094 -0.070 0.000 1.051 350 V CA 1.877 64.141 62.300 -0.060 0.000 1.048 350 V CB -1.218 30.530 31.823 -0.125 0.000 0.666 350 V HN 0.557 nan 8.190 nan 0.000 0.456 351 S N 0.281 115.907 115.700 -0.123 0.000 2.374 351 S HA -0.231 4.230 4.470 -0.014 0.000 0.227 351 S C 1.915 176.525 174.600 0.017 0.000 1.037 351 S CA 1.701 59.829 58.200 -0.121 0.000 1.024 351 S CB -0.478 62.672 63.200 -0.085 0.000 0.861 351 S HN 0.409 nan 8.310 nan 0.000 0.456 352 L N 1.608 122.872 121.223 0.068 0.000 2.079 352 L HA -0.010 4.321 4.340 -0.014 0.000 0.210 352 L C 1.877 178.751 176.870 0.007 0.000 1.081 352 L CA 1.533 56.391 54.840 0.030 0.000 0.752 352 L CB -0.615 41.444 42.059 -0.001 0.000 0.896 352 L HN 0.332 nan 8.230 nan 0.000 0.433 353 I N -2.334 118.256 120.570 0.034 0.000 2.546 353 I HA -0.256 3.905 4.170 -0.014 0.000 0.255 353 I C 1.994 178.154 176.117 0.073 0.000 1.163 353 I CA 0.592 61.905 61.300 0.022 0.000 1.457 353 I CB -0.276 37.736 38.000 0.020 0.000 1.092 353 I HN 0.118 nan 8.210 nan 0.000 0.434 354 F N 0.529 120.400 119.950 -0.132 0.000 2.186 354 F HA -0.154 4.322 4.527 -0.086 0.000 0.299 354 F C 2.410 178.161 175.800 -0.082 0.000 1.090 354 F CA 1.144 59.054 58.000 -0.149 0.000 1.307 354 F CB -0.764 38.095 39.000 -0.235 0.000 1.019 354 F HN -0.195 nan 8.300 nan 0.000 0.489 355 V N 0.025 120.018 119.914 0.133 0.000 2.295 355 V HA -0.271 3.840 4.120 -0.014 0.000 0.246 355 V C 2.471 178.574 176.094 0.015 0.000 1.049 355 V CA 1.379 63.718 62.300 0.066 0.000 1.024 355 V CB -0.663 31.174 31.823 0.024 0.000 0.648 355 V HN 0.270 nan 8.190 nan 0.000 0.447 356 L N 0.397 121.592 121.223 -0.047 0.000 2.046 356 L HA -0.195 4.136 4.340 -0.014 0.000 0.208 356 L C 2.469 179.285 176.870 -0.090 0.000 1.077 356 L CA 2.474 57.238 54.840 -0.126 0.000 0.747 356 L CB -0.845 41.070 42.059 -0.240 0.000 0.896 356 L HN 0.549 nan 8.230 nan 0.000 0.432 357 E N -0.964 119.185 120.200 -0.085 0.000 2.110 357 E HA -0.215 4.127 4.350 -0.014 0.000 0.193 357 E C 1.816 178.388 176.600 -0.046 0.000 0.988 357 E CA 1.863 58.208 56.400 -0.092 0.000 0.804 357 E CB 0.126 29.730 29.700 -0.160 0.000 0.745 357 E HN 0.453 nan 8.360 nan 0.000 0.458 358 T N 0.715 115.264 114.554 -0.009 0.000 2.777 358 T HA -0.125 4.217 4.350 -0.014 0.000 0.266 358 T C 1.784 176.504 174.700 0.033 0.000 1.040 358 T CA 1.520 63.637 62.100 0.028 0.000 1.141 358 T CB -0.117 68.794 68.868 0.072 0.000 0.868 358 T HN 0.235 nan 8.240 nan 0.000 0.444 359 M N 0.469 120.091 119.600 0.036 0.000 2.229 359 M HA -0.047 4.425 4.480 -0.014 0.000 0.264 359 M C 2.334 178.658 176.300 0.040 0.000 1.063 359 M CA 0.984 56.318 55.300 0.056 0.000 1.114 359 M CB -0.431 32.223 32.600 0.090 0.000 1.387 359 M HN 0.096 nan 8.290 nan 0.000 0.420 360 V N 0.292 120.212 119.914 0.009 0.000 2.323 360 V HA -0.243 3.869 4.120 -0.014 0.000 0.244 360 V C 2.166 178.261 176.094 0.002 0.000 1.041 360 V CA 1.724 64.024 62.300 -0.000 0.000 1.025 360 V CB -0.753 31.051 31.823 -0.032 0.000 0.656 360 V HN 0.500 nan 8.190 nan 0.000 0.451 361 Q N 0.459 120.257 119.800 -0.003 0.000 2.226 361 Q HA -0.131 4.201 4.340 -0.014 0.000 0.204 361 Q C 0.713 176.721 176.000 0.013 0.000 0.975 361 Q CA 0.910 56.713 55.803 0.000 0.000 0.866 361 Q CB 0.013 28.748 28.738 -0.004 0.000 0.915 361 Q HN 0.829 nan 8.270 nan 0.000 0.440 362 Q N -0.786 119.028 119.800 0.023 0.000 2.269 362 Q HA 0.653 4.984 4.340 -0.014 0.000 0.263 362 Q C -1.410 174.612 176.000 0.036 0.000 0.983 362 Q CA -0.689 55.131 55.803 0.029 0.000 0.777 362 Q CB 1.572 30.331 28.738 0.035 0.000 1.273 362 Q HN 0.019 nan 8.270 nan 0.000 0.440 363 A N 2.803 125.642 122.820 0.031 0.000 2.498 363 A HA 0.117 4.429 4.320 -0.014 0.000 0.239 363 A C 0.944 178.550 177.584 0.038 0.000 1.068 363 A CA 0.054 52.111 52.037 0.033 0.000 0.766 363 A CB 0.262 19.277 19.000 0.025 0.000 1.003 363 A HN 0.899 nan 8.150 nan 0.000 0.497 364 E N 1.316 121.540 120.200 0.041 0.000 2.474 364 E HA 0.063 4.404 4.350 -0.014 0.000 0.194 364 E C 0.312 176.936 176.600 0.039 0.000 1.041 364 E CA 0.890 57.318 56.400 0.047 0.000 0.874 364 E CB -0.345 29.389 29.700 0.056 0.000 0.914 364 E HN 0.775 nan 8.360 nan 0.000 0.498 365 S N -1.557 114.161 115.700 0.029 0.000 0.000 365 S HA 0.698 5.160 4.470 -0.014 0.000 0.000 365 S C 0.231 174.842 174.600 0.019 0.000 0.000 365 S CA -0.382 57.832 58.200 0.024 0.000 0.000 365 S CB 0.913 64.125 63.200 0.021 0.000 0.000 365 S HN 0.112 nan 8.310 nan 0.000 0.000 366 A N 0.277 123.106 122.820 0.015 0.000 2.308 366 A HA 0.295 4.607 4.320 -0.014 0.000 0.217 366 A C 0.785 178.374 177.584 0.008 0.000 1.216 366 A CA -0.153 51.891 52.037 0.012 0.000 0.864 366 A CB -0.597 18.410 19.000 0.012 0.000 0.902 366 A HN 0.741 nan 8.150 nan 0.000 0.499 367 K N 0.508 120.912 120.400 0.006 0.000 2.350 367 K HA 0.529 4.840 4.320 -0.014 0.000 0.279 367 K C -0.045 176.556 176.600 0.001 0.000 1.027 367 K CA 0.113 56.401 56.287 0.002 0.000 0.969 367 K CB 0.746 33.245 32.500 -0.003 0.000 0.954 367 K HN 0.054 nan 8.250 nan 0.000 0.474 368 A N 4.991 127.811 122.820 -0.000 0.000 2.396 368 A HA 0.364 4.676 4.320 -0.014 0.000 0.279 368 A C 0.150 177.732 177.584 -0.003 0.000 1.165 368 A CA -0.588 51.450 52.037 0.001 0.000 0.824 368 A CB -0.678 18.323 19.000 0.000 0.000 1.100 368 A HN 0.889 nan 8.150 nan 0.000 0.516 369 I N 1.500 122.070 120.570 0.001 0.000 7.187 369 I HA -0.165 3.997 4.170 -0.014 0.000 0.126 369 I C -0.077 176.030 176.117 -0.016 0.000 1.836 369 I CA -0.016 61.282 61.300 -0.003 0.000 2.037 369 I CB -1.455 36.540 38.000 -0.009 0.000 3.610 369 I HN 0.599 nan 8.210 nan 0.000 0.169 370 S N 4.669 120.362 115.700 -0.013 0.000 2.489 370 S HA 0.614 5.076 4.470 -0.014 0.000 0.291 370 S C 0.076 174.613 174.600 -0.105 0.000 1.151 370 S CA -0.593 57.581 58.200 -0.043 0.000 1.082 370 S CB 1.954 65.148 63.200 -0.011 0.000 1.019 370 S HN 0.524 nan 8.310 nan 0.000 0.492 371 T N 2.663 117.105 114.554 -0.187 0.000 2.767 371 T HA 0.686 5.028 4.350 -0.014 0.000 0.284 371 T C 0.381 174.740 174.700 -0.567 0.000 0.973 371 T CA -0.531 61.377 62.100 -0.321 0.000 0.996 371 T CB 1.328 70.051 68.868 -0.242 0.000 0.927 371 T HN 0.738 nan 8.240 nan 0.000 0.456 372 G N 1.095 109.259 108.800 -1.059 0.000 2.642 372 G HA2 0.668 4.620 3.960 -0.014 0.000 0.293 372 G HA3 0.668 4.620 3.960 -0.014 0.000 0.293 372 G C -1.574 172.479 174.900 -1.411 0.000 1.341 372 G CA -0.581 43.683 45.100 -1.394 0.000 0.916 372 G HN 0.661 nan 8.290 nan 0.000 0.474 373 V N 0.091 119.499 119.914 -0.843 0.000 2.540 373 V HA 0.795 4.907 4.120 -0.014 0.000 0.302 373 V C 0.154 176.350 176.094 0.170 0.000 1.035 373 V CA -0.614 61.547 62.300 -0.232 0.000 0.873 373 V CB 1.328 33.040 31.823 -0.184 0.000 0.992 373 V HN 1.231 nan 8.190 nan 0.000 0.428 374 A N 4.913 127.962 122.820 0.382 0.000 2.374 374 A HA 1.070 5.382 4.320 -0.014 0.000 0.317 374 A C -1.090 176.622 177.584 0.213 0.000 1.094 374 A CA -0.479 51.686 52.037 0.213 0.000 0.765 374 A CB 1.490 20.596 19.000 0.178 0.000 1.268 374 A HN 1.303 nan 8.150 nan 0.000 0.438 375 F N -1.338 118.668 119.950 0.092 0.000 2.719 375 F HA 0.880 5.403 4.527 -0.005 0.000 0.309 375 F C -0.414 175.252 175.800 -0.223 0.000 1.138 375 F CA -0.634 57.325 58.000 -0.069 0.000 0.943 375 F CB 0.917 39.960 39.000 0.071 0.000 1.304 375 F HN 1.097 nan 8.300 nan 0.000 0.445 376 A N 0.904 123.631 122.820 -0.155 0.000 2.567 376 A HA 0.896 5.207 4.320 -0.014 0.000 0.289 376 A C -2.331 174.839 177.584 -0.690 0.000 1.177 376 A CA -0.842 50.968 52.037 -0.380 0.000 0.694 376 A CB 1.305 20.128 19.000 -0.295 0.000 1.292 376 A HN 0.682 nan 8.150 nan 0.000 0.425 377 F N 0.137 120.103 119.950 0.027 0.000 2.477 377 F HA 0.621 5.149 4.527 0.002 0.000 0.335 377 F C 0.856 176.628 175.800 -0.046 0.000 1.130 377 F CA -0.337 57.681 58.000 0.029 0.000 0.948 377 F CB 2.167 41.221 39.000 0.090 0.000 1.154 377 F HN 0.771 nan 8.300 nan 0.000 0.439 378 G N 2.270 111.134 108.800 0.107 0.000 2.509 378 G HA2 0.684 4.636 3.960 -0.014 0.000 0.328 378 G HA3 0.684 4.636 3.960 -0.014 0.000 0.328 378 G C -2.883 172.045 174.900 0.047 0.000 1.194 378 G CA -2.090 43.030 45.100 0.033 0.000 0.967 378 G HN 0.290 nan 8.290 nan 0.000 0.488 379 P HA 0.088 nan 4.420 nan 0.000 0.270 379 P C 1.019 178.320 177.300 0.001 0.000 1.221 379 P CA 1.460 64.555 63.100 -0.009 0.000 0.788 379 P CB 0.781 32.449 31.700 -0.053 0.000 0.904 380 G N -0.303 108.491 108.800 -0.010 0.000 2.267 380 G HA2 -0.291 3.660 3.960 -0.014 0.000 0.257 380 G HA3 -0.291 3.660 3.960 -0.014 0.000 0.257 380 G C 0.083 174.961 174.900 -0.036 0.000 0.998 380 G CA 0.001 45.087 45.100 -0.023 0.000 0.620 380 G HN 0.733 nan 8.290 nan 0.000 0.529 381 V N -0.183 119.733 119.914 0.003 0.000 3.964 381 V HA -0.133 3.978 4.120 -0.014 0.000 0.444 381 V C 0.376 176.503 176.094 0.054 0.000 0.680 381 V CA 1.520 63.843 62.300 0.038 0.000 1.854 381 V CB -1.672 30.128 31.823 -0.039 0.000 2.264 381 V HN 1.206 nan 8.190 nan 0.000 0.491 382 T N 4.800 119.417 114.554 0.105 0.000 2.861 382 T HA 0.628 4.969 4.350 -0.014 0.000 0.287 382 T C -0.124 174.666 174.700 0.150 0.000 1.003 382 T CA -0.650 61.506 62.100 0.093 0.000 0.977 382 T CB 2.214 71.109 68.868 0.045 0.000 0.996 382 T HN 0.465 nan 8.240 nan 0.000 0.448 383 V N 3.119 123.125 119.914 0.153 0.000 2.406 383 V HA 0.434 4.546 4.120 -0.014 0.000 0.272 383 V C 0.102 176.218 176.094 0.038 0.000 1.043 383 V CA -0.446 61.929 62.300 0.125 0.000 0.915 383 V CB 1.077 33.013 31.823 0.188 0.000 0.988 383 V HN 0.768 nan 8.190 nan 0.000 0.466 384 E N 2.871 123.005 120.200 -0.110 0.000 2.187 384 E HA 0.782 5.123 4.350 -0.014 0.000 0.268 384 E C 0.112 176.479 176.600 -0.387 0.000 0.896 384 E CA 0.124 56.382 56.400 -0.238 0.000 0.766 384 E CB 1.877 31.474 29.700 -0.172 0.000 1.142 384 E HN 0.872 nan 8.360 nan 0.000 0.408 385 G N 1.911 110.176 108.800 -0.891 0.000 2.554 385 G HA2 0.609 4.561 3.960 -0.014 0.000 0.306 385 G HA3 0.609 4.561 3.960 -0.014 0.000 0.306 385 G C -1.354 173.025 174.900 -0.868 0.000 1.320 385 G CA -0.432 44.166 45.100 -0.837 0.000 0.800 385 G HN 0.591 nan 8.290 nan 0.000 0.481 386 M N -1.143 118.346 119.600 -0.186 0.000 2.603 386 M HA 0.799 5.271 4.480 -0.014 0.000 0.275 386 M C -2.212 174.296 176.300 0.346 0.000 1.226 386 M CA -0.961 54.403 55.300 0.106 0.000 0.870 386 M CB 2.219 34.860 32.600 0.068 0.000 1.716 386 M HN 0.801 nan 8.290 nan 0.000 0.482 387 L N 3.419 124.808 121.223 0.277 0.000 2.309 387 L HA 0.906 5.238 4.340 -0.014 0.000 0.282 387 L C -1.524 175.432 176.870 0.143 0.000 1.036 387 L CA -0.018 54.893 54.840 0.119 0.000 0.806 387 L CB 1.319 43.419 42.059 0.067 0.000 1.220 387 L HN 0.782 nan 8.230 nan 0.000 0.429 388 F N 1.048 120.983 119.950 -0.023 0.000 2.662 388 F HA 0.747 5.286 4.527 0.020 0.000 0.312 388 F C -1.471 174.300 175.800 -0.047 0.000 1.113 388 F CA -1.062 56.919 58.000 -0.031 0.000 0.951 388 F CB 1.232 40.213 39.000 -0.032 0.000 1.344 388 F HN 0.319 nan 8.300 nan 0.000 0.462 389 D N 1.780 122.312 120.400 0.219 0.000 2.649 389 D HA 0.539 5.171 4.640 -0.014 0.000 0.249 389 D C -0.882 175.536 176.300 0.197 0.000 1.112 389 D CA -0.052 54.014 54.000 0.109 0.000 0.850 389 D CB 2.544 43.367 40.800 0.038 0.000 1.399 389 D HN 0.611 nan 8.370 nan 0.000 0.503 390 I N 3.081 123.749 120.570 0.163 0.000 2.339 390 I HA 0.321 4.483 4.170 -0.014 0.000 0.290 390 I C 0.221 176.375 176.117 0.061 0.000 0.994 390 I CA -0.698 60.678 61.300 0.126 0.000 1.191 390 I CB 1.324 39.410 38.000 0.143 0.000 1.343 390 I HN 0.172 nan 8.210 nan 0.000 0.458 391 I N 6.732 127.328 120.570 0.043 0.000 2.452 391 I HA 0.141 4.302 4.170 -0.014 0.000 0.287 391 I C 1.171 177.300 176.117 0.020 0.000 1.079 391 I CA -0.292 61.023 61.300 0.026 0.000 1.387 391 I CB 0.696 38.708 38.000 0.020 0.000 1.404 391 I HN 0.632 nan 8.210 nan 0.000 0.522 392 R N 5.887 126.396 120.500 0.016 0.000 2.105 392 R HA 0.185 4.517 4.340 -0.014 0.000 0.214 392 R C 0.561 176.866 176.300 0.009 0.000 1.091 392 R CA 0.728 56.836 56.100 0.013 0.000 1.007 392 R CB -0.025 30.283 30.300 0.013 0.000 0.912 392 R HN 0.709 nan 8.270 nan 0.000 0.450 393 R N 0.000 120.504 120.500 0.007 0.000 2.786 393 R HA 0.000 4.332 4.340 -0.014 0.000 0.208 393 R CA 0.000 56.103 56.100 0.005 0.000 0.921 393 R CB 0.000 30.302 30.300 0.004 0.000 0.687 393 R HN 0.000 nan 8.270 nan 0.000 0.535