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 1xlt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKIAIPKERR PGEDRVAISP EVVKKLVGLG FEVIVEQGAG VGASITDDAL DATA SEQUENCE TAAGATIAST AAQALSQADV VWKVQRPMTA EEGTDEVALI KEGAVLMCHL DATA SEQUENCE GALTNRPVVE ALTKRKITAY AMELMPRISR AQSMDILSSQ SNLAGYRAVI DATA SEQUENCE DGAYEFARAF PMMMTAAGTV PPARVLVFGV GVAGLQAIAT AKRLGAVVMA DATA SEQUENCE TDVRAATKEQ VESLGGKFIT VDDXXXXXXX XXXXXXXXXX XEFRKKQAEA DATA SEQUENCE VLKELVKTDI AITTALIPGK PAPVLITEEM VTKMKPGSVI IDLAVEAGGN DATA SEQUENCE CPLSEPGKIV VKHGVKIVGH TNVPSRVAAD ASPLFAKNLL NFLTPHVDKD DATA SEQUENCE TKTLVMKLED ETVSGTCVTR DGAIVHPALT G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.400 176.300 0.167 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 1 M CB 0.000 32.389 32.600 -0.351 0.000 1.302 2 K N 2.455 122.927 120.400 0.121 0.000 2.292 2 K HA 0.556 4.876 4.320 0.000 0.000 0.290 2 K C -0.564 176.074 176.600 0.063 0.000 1.083 2 K CA 0.120 56.463 56.287 0.093 0.000 0.918 2 K CB 0.530 33.057 32.500 0.045 0.000 1.089 2 K HN 0.686 nan 8.250 nan 0.000 0.473 3 I N 2.019 122.582 120.570 -0.012 0.000 2.437 3 I HA 0.576 4.746 4.170 0.000 0.000 0.298 3 I C -1.005 175.004 176.117 -0.181 0.000 0.984 3 I CA -0.375 60.781 61.300 -0.241 0.000 1.214 3 I CB 1.166 38.736 38.000 -0.717 0.000 1.365 3 I HN 0.646 nan 8.210 nan 0.000 0.469 4 A N 7.754 130.488 122.820 -0.143 0.000 2.408 4 A HA 0.744 5.064 4.320 0.000 0.000 0.295 4 A C -1.386 176.203 177.584 0.009 0.000 1.040 4 A CA -0.419 51.586 52.037 -0.053 0.000 0.707 4 A CB 0.979 19.973 19.000 -0.011 0.000 1.235 4 A HN 0.541 nan 8.150 nan 0.000 0.418 5 I N 4.256 124.847 120.570 0.035 0.000 2.378 5 I HA 0.569 4.739 4.170 0.000 0.000 0.291 5 I C -2.241 173.916 176.117 0.067 0.000 0.992 5 I CA -1.661 59.699 61.300 0.100 0.000 1.154 5 I CB 2.274 40.358 38.000 0.140 0.000 1.315 5 I HN 0.454 nan 8.210 nan 0.000 0.448 6 P HA 0.329 nan 4.420 nan 0.000 0.288 6 P C -1.419 175.900 177.300 0.032 0.000 1.300 6 P CA -1.115 62.011 63.100 0.042 0.000 0.910 6 P CB 1.720 33.444 31.700 0.040 0.000 1.256 7 K N 1.206 121.617 120.400 0.017 0.000 2.350 7 K HA 0.098 4.418 4.320 0.000 0.000 0.279 7 K C 0.143 176.742 176.600 -0.002 0.000 1.027 7 K CA -0.206 56.084 56.287 0.005 0.000 0.969 7 K CB 0.287 32.788 32.500 0.001 0.000 0.954 7 K HN 0.293 nan 8.250 nan 0.000 0.474 8 E N 3.771 123.960 120.200 -0.017 0.000 2.376 8 E HA -0.015 4.335 4.350 0.000 0.000 0.266 8 E C 0.407 176.993 176.600 -0.024 0.000 1.009 8 E CA 0.078 56.461 56.400 -0.028 0.000 0.902 8 E CB 0.922 30.588 29.700 -0.057 0.000 0.972 8 E HN 0.534 nan 8.360 nan 0.000 0.439 9 R N 1.771 122.260 120.500 -0.018 0.000 2.307 9 R HA 0.104 4.444 4.340 0.000 0.000 0.200 9 R C 0.375 176.664 176.300 -0.018 0.000 0.893 9 R CA -0.047 56.044 56.100 -0.015 0.000 1.042 9 R CB 0.335 30.631 30.300 -0.006 0.000 1.059 9 R HN 0.301 nan 8.270 nan 0.000 0.530 10 R N 2.763 123.249 120.500 -0.024 0.000 2.679 10 R HA 0.133 4.473 4.340 0.000 0.000 0.268 10 R C -2.066 174.216 176.300 -0.030 0.000 1.044 10 R CA -1.472 54.612 56.100 -0.026 0.000 1.105 10 R CB -0.576 29.705 30.300 -0.033 0.000 0.989 10 R HN 0.021 nan 8.270 nan 0.000 0.447 11 P HA 0.053 nan 4.420 nan 0.000 0.271 11 P C 0.341 177.622 177.300 -0.032 0.000 1.226 11 P CA 0.229 63.314 63.100 -0.025 0.000 0.765 11 P CB 0.662 32.351 31.700 -0.018 0.000 0.835 12 G N 1.548 110.327 108.800 -0.036 0.000 2.142 12 G HA2 -0.195 3.765 3.960 0.000 0.000 0.225 12 G HA3 -0.195 3.765 3.960 0.000 0.000 0.225 12 G C -0.206 174.658 174.900 -0.060 0.000 1.015 12 G CA -0.073 45.001 45.100 -0.044 0.000 0.716 12 G HN 0.696 nan 8.290 nan 0.000 0.508 13 E N 0.369 120.531 120.200 -0.065 0.000 2.185 13 E HA 0.587 4.937 4.350 0.000 0.000 0.261 13 E C 0.363 176.916 176.600 -0.079 0.000 0.879 13 E CA -0.831 55.517 56.400 -0.086 0.000 0.756 13 E CB 0.887 30.531 29.700 -0.094 0.000 1.152 13 E HN 0.060 nan 8.360 nan 0.000 0.416 14 D N 3.295 123.643 120.400 -0.086 0.000 2.423 14 D HA 0.086 4.726 4.640 0.000 0.000 0.208 14 D C -0.044 176.207 176.300 -0.082 0.000 1.068 14 D CA 0.040 53.996 54.000 -0.073 0.000 0.860 14 D CB 0.465 41.226 40.800 -0.065 0.000 0.992 14 D HN 0.316 nan 8.370 nan 0.000 0.504 15 R N 0.951 121.381 120.500 -0.116 0.000 2.643 15 R HA 0.328 4.668 4.340 0.000 0.000 0.270 15 R C -0.079 176.140 176.300 -0.135 0.000 1.061 15 R CA -0.066 55.949 56.100 -0.141 0.000 1.107 15 R CB 1.678 31.842 30.300 -0.228 0.000 0.999 15 R HN -0.127 nan 8.270 nan 0.000 0.460 16 V N 0.932 120.788 119.914 -0.096 0.000 2.919 16 V HA 0.599 4.719 4.120 0.000 0.000 0.316 16 V C -0.557 175.522 176.094 -0.025 0.000 1.077 16 V CA -0.544 61.726 62.300 -0.050 0.000 0.977 16 V CB 1.959 33.779 31.823 -0.005 0.000 1.039 16 V HN 0.878 nan 8.190 nan 0.000 0.441 17 A N 5.692 128.540 122.820 0.048 0.000 3.290 17 A HA 0.743 5.063 4.320 0.000 0.000 0.297 17 A C -0.505 177.213 177.584 0.224 0.000 1.285 17 A CA -0.099 52.041 52.037 0.172 0.000 1.060 17 A CB -0.679 18.460 19.000 0.232 0.000 1.114 17 A HN 1.029 nan 8.150 nan 0.000 0.601 18 I N -0.458 120.215 120.570 0.172 0.000 2.763 18 I HA 0.422 4.592 4.170 0.000 0.000 0.292 18 I C -0.700 175.489 176.117 0.119 0.000 1.610 18 I CA 0.230 61.648 61.300 0.196 0.000 1.002 18 I CB 1.948 40.062 38.000 0.190 0.000 1.416 18 I HN 0.296 nan 8.210 nan 0.000 0.479 19 S N 5.063 120.832 115.700 0.115 0.000 2.599 19 S HA 0.764 5.234 4.470 0.000 0.000 0.287 19 S C -2.682 171.956 174.600 0.063 0.000 1.105 19 S CA -1.318 56.926 58.200 0.072 0.000 0.899 19 S CB 2.304 65.540 63.200 0.061 0.000 1.100 19 S HN 0.440 nan 8.310 nan 0.000 0.482 20 P HA 0.038 nan 4.420 nan 0.000 0.219 20 P C 0.830 178.151 177.300 0.036 0.000 1.150 20 P CA 0.981 64.102 63.100 0.035 0.000 0.814 20 P CB 0.053 31.768 31.700 0.024 0.000 0.787 21 E N -0.617 119.605 120.200 0.037 0.000 2.118 21 E HA -0.120 4.230 4.350 0.000 0.000 0.195 21 E C 1.988 178.617 176.600 0.048 0.000 0.992 21 E CA 0.940 57.362 56.400 0.036 0.000 0.804 21 E CB -1.440 28.280 29.700 0.033 0.000 0.741 21 E HN 0.070 nan 8.360 nan 0.000 0.458 22 V N -0.013 119.942 119.914 0.067 0.000 2.323 22 V HA -0.179 3.941 4.120 0.000 0.000 0.244 22 V C 2.249 178.381 176.094 0.064 0.000 1.041 22 V CA 1.110 63.466 62.300 0.093 0.000 1.025 22 V CB -0.413 31.508 31.823 0.163 0.000 0.656 22 V HN 0.115 nan 8.190 nan 0.000 0.451 23 V N -0.019 119.924 119.914 0.048 0.000 2.370 23 V HA -0.363 3.757 4.120 0.000 0.000 0.252 23 V C 2.445 178.549 176.094 0.017 0.000 1.068 23 V CA 2.386 64.692 62.300 0.010 0.000 1.061 23 V CB -0.694 31.136 31.823 0.012 0.000 0.656 23 V HN 0.525 nan 8.190 nan 0.000 0.455 24 K N -0.553 119.864 120.400 0.028 0.000 2.147 24 K HA -0.170 4.150 4.320 0.000 0.000 0.205 24 K C 2.235 178.857 176.600 0.037 0.000 1.049 24 K CA 1.307 57.611 56.287 0.029 0.000 0.936 24 K CB -0.043 32.474 32.500 0.027 0.000 0.722 24 K HN 0.418 nan 8.250 nan 0.000 0.446 25 K N 0.119 120.546 120.400 0.046 0.000 2.137 25 K HA 0.031 4.351 4.320 0.000 0.000 0.202 25 K C 2.044 178.689 176.600 0.075 0.000 1.052 25 K CA 0.480 56.801 56.287 0.058 0.000 0.961 25 K CB 0.109 32.648 32.500 0.066 0.000 0.741 25 K HN 0.081 nan 8.250 nan 0.000 0.452 26 L N 0.741 121.994 121.223 0.050 0.000 2.017 26 L HA -0.198 4.142 4.340 0.000 0.000 0.208 26 L C 2.324 179.297 176.870 0.173 0.000 1.073 26 L CA 1.025 55.897 54.840 0.053 0.000 0.745 26 L CB -0.482 41.445 42.059 -0.219 0.000 0.894 26 L HN -0.019 nan 8.230 nan 0.000 0.432 27 V N 0.308 120.277 119.914 0.092 0.000 2.392 27 V HA -0.266 3.854 4.120 0.000 0.000 0.249 27 V C 2.612 178.757 176.094 0.086 0.000 1.059 27 V CA 2.007 64.365 62.300 0.095 0.000 1.051 27 V CB -1.256 30.597 31.823 0.049 0.000 0.658 27 V HN 0.614 nan 8.190 nan 0.000 0.455 28 G N -0.062 108.783 108.800 0.074 0.000 2.491 28 G HA2 -0.261 3.699 3.960 0.000 0.000 0.218 28 G HA3 -0.261 3.699 3.960 0.000 0.000 0.218 28 G C 1.414 176.347 174.900 0.055 0.000 1.180 28 G CA 0.958 46.090 45.100 0.054 0.000 0.774 28 G HN 0.503 nan 8.290 nan 0.000 0.562 29 L N 1.118 122.403 121.223 0.103 0.000 2.651 29 L HA 0.115 4.455 4.340 0.000 0.000 0.236 29 L C 1.770 178.610 176.870 -0.049 0.000 1.173 29 L CA 0.465 55.348 54.840 0.072 0.000 0.843 29 L CB -0.773 41.413 42.059 0.211 0.000 0.964 29 L HN 0.463 nan 8.230 nan 0.000 0.454 30 G N -0.249 108.544 108.800 -0.012 0.000 2.303 30 G HA2 -0.277 3.683 3.960 0.000 0.000 0.260 30 G HA3 -0.277 3.683 3.960 0.000 0.000 0.260 30 G C -0.263 174.539 174.900 -0.164 0.000 1.106 30 G CA -0.407 44.642 45.100 -0.086 0.000 0.900 30 G HN 0.199 nan 8.290 nan 0.000 0.495 31 F N -0.646 119.273 119.950 -0.051 0.000 2.613 31 F HA 0.739 5.266 4.527 0.000 0.000 0.342 31 F C 0.620 176.383 175.800 -0.061 0.000 1.066 31 F CA -0.864 57.094 58.000 -0.071 0.000 1.002 31 F CB 1.802 40.734 39.000 -0.113 0.000 1.319 31 F HN 0.095 nan 8.300 nan 0.000 0.495 32 E N 1.258 121.586 120.200 0.212 0.000 2.220 32 E HA 0.474 4.824 4.350 0.000 0.000 0.256 32 E C -1.819 174.802 176.600 0.034 0.000 0.881 32 E CA -0.465 55.985 56.400 0.083 0.000 0.766 32 E CB 1.526 31.259 29.700 0.055 0.000 1.187 32 E HN 0.338 nan 8.360 nan 0.000 0.419 33 V N 5.791 125.699 119.914 -0.010 0.000 2.567 33 V HA 0.470 4.590 4.120 0.000 0.000 0.289 33 V C 0.149 176.221 176.094 -0.036 0.000 1.049 33 V CA -0.395 61.865 62.300 -0.067 0.000 0.969 33 V CB 1.234 33.007 31.823 -0.084 0.000 0.995 33 V HN 0.603 nan 8.190 nan 0.000 0.471 34 I N 4.166 124.710 120.570 -0.043 0.000 2.548 34 I HA 0.540 4.710 4.170 0.000 0.000 0.287 34 I C -0.910 175.202 176.117 -0.008 0.000 1.103 34 I CA -0.594 60.695 61.300 -0.017 0.000 1.049 34 I CB 2.086 40.081 38.000 -0.010 0.000 1.232 34 I HN 0.263 nan 8.210 nan 0.000 0.429 35 V N 4.697 124.612 119.914 0.003 0.000 2.769 35 V HA 0.388 4.508 4.120 0.000 0.000 0.312 35 V C -0.305 175.797 176.094 0.013 0.000 1.061 35 V CA -0.736 61.573 62.300 0.014 0.000 0.931 35 V CB 2.343 34.178 31.823 0.020 0.000 1.010 35 V HN 0.848 nan 8.190 nan 0.000 0.433 36 E N 2.710 122.920 120.200 0.015 0.000 2.249 36 E HA 0.466 4.816 4.350 0.000 0.000 0.280 36 E C -0.712 175.894 176.600 0.009 0.000 1.016 36 E CA -0.756 55.651 56.400 0.012 0.000 0.830 36 E CB 0.815 30.523 29.700 0.012 0.000 1.081 36 E HN 0.600 nan 8.360 nan 0.000 0.395 37 Q N 1.737 121.541 119.800 0.007 0.000 3.405 37 Q HA -0.160 4.180 4.340 0.000 0.000 0.402 37 Q C 0.765 176.767 176.000 0.004 0.000 1.085 37 Q CA 1.132 56.938 55.803 0.005 0.000 1.182 37 Q CB -0.404 28.336 28.738 0.003 0.000 1.168 37 Q HN 1.001 nan 8.270 nan 0.000 0.513 38 G N 2.323 111.124 108.800 0.003 0.000 2.332 38 G HA2 -0.198 3.762 3.960 0.000 0.000 0.277 38 G HA3 -0.198 3.762 3.960 0.000 0.000 0.277 38 G C 0.789 175.689 174.900 -0.000 0.000 0.884 38 G CA 0.331 45.432 45.100 0.001 0.000 1.251 38 G HN 0.886 nan 8.290 nan 0.000 0.462 39 A N -0.019 122.803 122.820 0.004 0.000 2.016 39 A HA 0.469 4.789 4.320 0.000 0.000 0.217 39 A C 2.217 179.799 177.584 -0.003 0.000 1.162 39 A CA 1.857 53.896 52.037 0.004 0.000 0.662 39 A CB 0.247 19.256 19.000 0.015 0.000 0.812 39 A HN 1.646 nan 8.150 nan 0.000 0.450 40 G N -1.246 107.553 108.800 -0.001 0.000 3.993 40 G HA2 0.335 4.295 3.960 0.000 0.000 0.294 40 G HA3 0.335 4.295 3.960 0.000 0.000 0.294 40 G C 0.704 175.599 174.900 -0.009 0.000 1.043 40 G CA 0.484 45.580 45.100 -0.007 0.000 0.839 40 G HN 0.136 nan 8.290 nan 0.000 0.516 41 V N 0.787 120.695 119.914 -0.009 0.000 2.867 41 V HA -0.027 4.093 4.120 0.000 0.000 0.260 41 V C 2.427 178.512 176.094 -0.016 0.000 1.099 41 V CA 2.422 64.716 62.300 -0.010 0.000 1.122 41 V CB 0.057 31.875 31.823 -0.009 0.000 0.708 41 V HN 0.390 nan 8.190 nan 0.000 0.490 42 G N -1.541 107.246 108.800 -0.022 0.000 2.939 42 G HA2 0.224 4.184 3.960 0.000 0.000 0.210 42 G HA3 0.224 4.184 3.960 0.000 0.000 0.210 42 G C 1.060 175.940 174.900 -0.032 0.000 1.160 42 G CA 0.618 45.701 45.100 -0.029 0.000 0.770 42 G HN 0.615 nan 8.290 nan 0.000 0.543 43 A N -0.405 122.399 122.820 -0.026 0.000 2.503 43 A HA 0.565 4.885 4.320 0.000 0.000 0.263 43 A C 1.387 178.962 177.584 -0.016 0.000 1.258 43 A CA 0.822 52.845 52.037 -0.025 0.000 0.936 43 A CB 0.015 19.001 19.000 -0.024 0.000 1.070 43 A HN 0.527 nan 8.150 nan 0.000 0.522 44 S N -0.623 115.068 115.700 -0.015 0.000 3.490 44 S HA -0.131 4.339 4.470 0.000 0.000 0.301 44 S C 0.034 174.631 174.600 -0.005 0.000 1.233 44 S CA 0.936 59.129 58.200 -0.011 0.000 0.914 44 S CB -1.585 61.608 63.200 -0.012 0.000 1.047 44 S HN 0.532 nan 8.310 nan 0.000 0.602 45 I N 2.554 123.123 120.570 -0.003 0.000 2.307 45 I HA 0.288 4.458 4.170 0.000 0.000 0.289 45 I C 1.015 177.134 176.117 0.003 0.000 1.021 45 I CA 0.013 61.315 61.300 0.003 0.000 1.224 45 I CB 0.540 38.545 38.000 0.009 0.000 1.376 45 I HN 0.280 nan 8.210 nan 0.000 0.470 46 T N 2.936 117.492 114.554 0.003 0.000 2.910 46 T HA 0.143 4.493 4.350 0.000 0.000 0.293 46 T C 1.018 175.722 174.700 0.005 0.000 1.015 46 T CA -0.327 61.775 62.100 0.003 0.000 1.094 46 T CB 1.030 69.899 68.868 0.002 0.000 0.968 46 T HN 0.484 nan 8.240 nan 0.000 0.521 47 D N 2.664 123.067 120.400 0.005 0.000 2.123 47 D HA -0.067 4.573 4.640 0.000 0.000 0.196 47 D C 1.353 177.657 176.300 0.006 0.000 0.992 47 D CA 1.566 55.569 54.000 0.006 0.000 0.833 47 D CB -0.178 40.625 40.800 0.005 0.000 0.954 47 D HN 0.729 nan 8.370 nan 0.000 0.455 48 D N -0.430 119.973 120.400 0.005 0.000 2.363 48 D HA 0.115 4.755 4.640 0.000 0.000 0.220 48 D C 1.767 178.071 176.300 0.006 0.000 0.994 48 D CA 0.544 54.548 54.000 0.005 0.000 0.890 48 D CB 0.031 40.833 40.800 0.004 0.000 0.906 48 D HN 0.142 nan 8.370 nan 0.000 0.530 49 A N 0.328 123.153 122.820 0.007 0.000 1.930 49 A HA -0.101 4.219 4.320 0.000 0.000 0.217 49 A C 1.759 179.350 177.584 0.011 0.000 1.175 49 A CA 0.876 52.918 52.037 0.009 0.000 0.627 49 A CB -0.174 18.832 19.000 0.009 0.000 0.815 49 A HN 0.163 nan 8.150 nan 0.000 0.443 50 L N -0.419 120.811 121.223 0.012 0.000 2.249 50 L HA -0.019 4.321 4.340 0.000 0.000 0.207 50 L C 2.436 179.312 176.870 0.010 0.000 1.090 50 L CA 1.984 56.832 54.840 0.013 0.000 0.802 50 L CB -2.033 40.035 42.059 0.015 0.000 0.947 50 L HN 0.402 nan 8.230 nan 0.000 0.453 51 T N 0.121 114.680 114.554 0.008 0.000 2.962 51 T HA -0.059 4.291 4.350 0.000 0.000 0.270 51 T C 1.952 176.657 174.700 0.008 0.000 1.088 51 T CA 1.068 63.172 62.100 0.007 0.000 1.127 51 T CB -0.096 68.775 68.868 0.006 0.000 0.883 51 T HN 0.325 nan 8.240 nan 0.000 0.493 52 A N 1.139 123.964 122.820 0.008 0.000 2.021 52 A HA 0.532 4.852 4.320 0.000 0.000 0.216 52 A C 2.548 180.138 177.584 0.010 0.000 1.163 52 A CA 1.029 53.071 52.037 0.008 0.000 0.676 52 A CB -0.718 18.287 19.000 0.008 0.000 0.818 52 A HN 0.511 nan 8.150 nan 0.000 0.453 53 A N -1.936 120.891 122.820 0.012 0.000 2.067 53 A HA 0.402 4.722 4.320 0.000 0.000 0.217 53 A C 1.816 179.408 177.584 0.013 0.000 1.156 53 A CA 1.651 53.696 52.037 0.014 0.000 0.683 53 A CB -0.422 18.588 19.000 0.017 0.000 0.808 53 A HN 1.639 nan 8.150 nan 0.000 0.455 54 G N -2.517 106.290 108.800 0.011 0.000 2.421 54 G HA2 0.229 4.189 3.960 0.000 0.000 0.188 54 G HA3 0.229 4.189 3.960 0.000 0.000 0.188 54 G C 0.467 175.372 174.900 0.007 0.000 1.001 54 G CA 0.072 45.178 45.100 0.010 0.000 0.693 54 G HN 1.380 nan 8.290 nan 0.000 0.479 55 A N 0.618 123.440 122.820 0.004 0.000 2.425 55 A HA 0.640 4.960 4.320 0.000 0.000 0.242 55 A C 0.637 178.222 177.584 0.002 0.000 1.077 55 A CA 1.314 53.350 52.037 -0.001 0.000 0.781 55 A CB 0.268 19.265 19.000 -0.004 0.000 1.020 55 A HN 0.677 nan 8.150 nan 0.000 0.494 56 T N 2.747 117.302 114.554 0.000 0.000 2.875 56 T HA 0.480 4.830 4.350 0.000 0.000 0.284 56 T C 0.050 174.752 174.700 0.003 0.000 0.995 56 T CA -0.209 61.893 62.100 0.003 0.000 1.060 56 T CB 0.583 69.454 68.868 0.003 0.000 0.967 56 T HN 0.374 nan 8.240 nan 0.000 0.476 57 I N 2.423 122.996 120.570 0.005 0.000 2.385 57 I HA 0.559 4.729 4.170 0.000 0.000 0.294 57 I C 0.395 176.515 176.117 0.005 0.000 0.988 57 I CA -0.994 60.309 61.300 0.005 0.000 1.265 57 I CB 0.940 38.944 38.000 0.005 0.000 1.388 57 I HN 0.676 nan 8.210 nan 0.000 0.480 58 A N 4.131 126.955 122.820 0.006 0.000 2.318 58 A HA 0.478 4.798 4.320 0.000 0.000 0.324 58 A C 0.964 178.551 177.584 0.006 0.000 1.170 58 A CA -0.374 51.667 52.037 0.006 0.000 0.810 58 A CB 1.164 20.169 19.000 0.008 0.000 1.198 58 A HN 0.731 nan 8.150 nan 0.000 0.484 59 S N 0.306 116.009 115.700 0.006 0.000 2.402 59 S HA -0.077 4.393 4.470 0.000 0.000 0.233 59 S C 1.208 175.811 174.600 0.005 0.000 1.030 59 S CA 1.932 60.135 58.200 0.005 0.000 1.003 59 S CB -0.243 62.960 63.200 0.004 0.000 0.813 59 S HN 1.226 nan 8.310 nan 0.000 0.477 60 T N -3.018 111.540 114.554 0.007 0.000 2.896 60 T HA 0.761 5.111 4.350 0.000 0.000 0.297 60 T C 0.786 175.492 174.700 0.010 0.000 1.108 60 T CA -0.287 61.817 62.100 0.007 0.000 1.004 60 T CB 1.650 70.522 68.868 0.007 0.000 1.159 60 T HN -0.071 nan 8.240 nan 0.000 0.499 61 A N 1.800 124.627 122.820 0.011 0.000 1.845 61 A HA 0.252 4.572 4.320 0.000 0.000 0.215 61 A C 2.674 180.267 177.584 0.015 0.000 1.195 61 A CA 2.289 54.335 52.037 0.014 0.000 0.616 61 A CB -1.649 17.360 19.000 0.015 0.000 0.832 61 A HN 1.633 nan 8.150 nan 0.000 0.443 62 A N -0.818 122.009 122.820 0.013 0.000 1.971 62 A HA -0.319 4.001 4.320 0.000 0.000 0.222 62 A C 2.110 179.702 177.584 0.013 0.000 1.182 62 A CA 2.130 54.175 52.037 0.013 0.000 0.649 62 A CB -0.625 18.381 19.000 0.011 0.000 0.818 62 A HN 0.728 nan 8.150 nan 0.000 0.458 63 Q N -1.538 118.269 119.800 0.012 0.000 2.204 63 Q HA 0.195 4.535 4.340 0.000 0.000 0.198 63 Q C 1.920 177.927 176.000 0.012 0.000 0.946 63 Q CA 0.750 56.559 55.803 0.011 0.000 0.859 63 Q CB -0.137 28.607 28.738 0.009 0.000 0.946 63 Q HN 0.634 nan 8.270 nan 0.000 0.474 64 A N 0.186 123.013 122.820 0.013 0.000 2.291 64 A HA 0.148 4.468 4.320 0.000 0.000 0.220 64 A C 1.268 178.862 177.584 0.016 0.000 1.262 64 A CA 0.406 52.450 52.037 0.013 0.000 0.867 64 A CB -0.081 18.927 19.000 0.013 0.000 0.888 64 A HN 0.266 nan 8.150 nan 0.000 0.487 65 L N -1.831 119.403 121.223 0.018 0.000 3.154 65 L HA -0.004 4.336 4.340 0.000 0.000 0.280 65 L C 2.530 179.414 176.870 0.022 0.000 1.134 65 L CA 0.901 55.755 54.840 0.023 0.000 1.037 65 L CB -0.219 41.857 42.059 0.028 0.000 1.571 65 L HN 0.495 nan 8.230 nan 0.000 0.576 66 S N 0.939 116.650 115.700 0.019 0.000 2.389 66 S HA -0.323 4.147 4.470 0.000 0.000 0.229 66 S C 1.250 175.862 174.600 0.019 0.000 1.048 66 S CA 1.536 59.746 58.200 0.017 0.000 1.117 66 S CB -0.488 62.720 63.200 0.014 0.000 1.020 66 S HN 0.554 nan 8.310 nan 0.000 0.430 67 Q N 1.571 121.382 119.800 0.018 0.000 2.341 67 Q HA 0.648 4.988 4.340 0.000 0.000 0.325 67 Q C -0.424 175.590 176.000 0.023 0.000 0.920 67 Q CA -0.106 55.709 55.803 0.019 0.000 1.065 67 Q CB 0.734 29.482 28.738 0.016 0.000 1.218 67 Q HN 0.658 nan 8.270 nan 0.000 0.434 68 A N 0.414 123.249 122.820 0.026 0.000 2.276 68 A HA 0.253 4.573 4.320 0.000 0.000 0.316 68 A C 0.126 177.736 177.584 0.043 0.000 1.229 68 A CA -0.610 51.445 52.037 0.029 0.000 0.851 68 A CB 0.675 19.687 19.000 0.019 0.000 1.165 68 A HN 0.205 nan 8.150 nan 0.000 0.513 69 D N 1.003 121.436 120.400 0.055 0.000 2.162 69 D HA -0.004 4.636 4.640 0.000 0.000 0.203 69 D C 0.576 176.932 176.300 0.093 0.000 0.967 69 D CA 1.452 55.496 54.000 0.073 0.000 0.840 69 D CB 0.442 41.291 40.800 0.082 0.000 0.972 69 D HN 0.346 nan 8.370 nan 0.000 0.482 70 V N 0.636 120.597 119.914 0.078 0.000 2.769 70 V HA 0.475 4.595 4.120 0.000 0.000 0.312 70 V C -1.152 174.956 176.094 0.023 0.000 1.061 70 V CA -0.565 61.780 62.300 0.076 0.000 0.931 70 V CB 2.542 34.389 31.823 0.039 0.000 1.010 70 V HN -0.217 nan 8.190 nan 0.000 0.433 71 V N 5.726 125.706 119.914 0.111 0.000 2.524 71 V HA 0.458 4.578 4.120 0.000 0.000 0.297 71 V C -1.409 174.881 176.094 0.326 0.000 1.035 71 V CA -0.594 61.788 62.300 0.137 0.000 0.867 71 V CB 1.938 33.834 31.823 0.121 0.000 1.004 71 V HN 0.902 nan 8.190 nan 0.000 0.426 72 W N 4.901 126.216 121.300 0.026 0.000 2.349 72 W HA 0.710 5.370 4.660 0.000 0.000 0.309 72 W C 0.173 176.734 176.519 0.070 0.000 1.083 72 W CA -1.151 56.219 57.345 0.043 0.000 1.224 72 W CB 1.184 30.653 29.460 0.015 0.000 1.256 72 W HN 0.392 nan 8.180 nan 0.000 0.461 73 K N 1.291 121.843 120.400 0.253 0.000 2.509 73 K HA 0.459 4.779 4.320 0.000 0.000 0.266 73 K C 0.257 176.972 176.600 0.193 0.000 0.987 73 K CA -0.775 55.615 56.287 0.172 0.000 0.868 73 K CB 2.870 35.444 32.500 0.123 0.000 1.421 73 K HN 0.037 nan 8.250 nan 0.000 0.444 74 V N 0.313 120.236 119.914 0.015 0.000 2.341 74 V HA -0.009 4.111 4.120 0.000 0.000 0.240 74 V C 0.462 176.510 176.094 -0.078 0.000 1.035 74 V CA 1.022 63.163 62.300 -0.265 0.000 1.033 74 V CB -0.016 31.484 31.823 -0.538 0.000 0.678 74 V HN 0.594 nan 8.190 nan 0.000 0.464 75 Q N 0.115 119.880 119.800 -0.059 0.000 2.257 75 Q HA 0.460 4.800 4.340 0.000 0.000 0.262 75 Q C -0.309 175.719 176.000 0.045 0.000 0.997 75 Q CA -0.984 54.817 55.803 -0.004 0.000 0.873 75 Q CB 1.843 30.543 28.738 -0.064 0.000 1.312 75 Q HN 0.540 nan 8.270 nan 0.000 0.450 76 R N 1.017 121.560 120.500 0.073 0.000 2.494 76 R HA 0.072 4.412 4.340 0.000 0.000 0.291 76 R C -2.546 173.776 176.300 0.036 0.000 0.953 76 R CA -0.608 55.529 56.100 0.062 0.000 1.098 76 R CB -0.810 29.529 30.300 0.065 0.000 0.911 76 R HN 0.164 nan 8.270 nan 0.000 0.407 77 P HA -0.113 nan 4.420 nan 0.000 0.270 77 P C -0.386 176.925 177.300 0.019 0.000 1.216 77 P CA 0.348 63.465 63.100 0.028 0.000 0.788 77 P CB 0.474 32.194 31.700 0.032 0.000 0.883 78 M N 0.960 120.569 119.600 0.015 0.000 2.188 78 M HA 0.216 4.696 4.480 0.000 0.000 0.357 78 M C 0.752 177.059 176.300 0.011 0.000 1.204 78 M CA -0.352 54.954 55.300 0.010 0.000 1.095 78 M CB 0.918 33.522 32.600 0.007 0.000 1.604 78 M HN 0.371 nan 8.290 nan 0.000 0.464 79 T N -0.289 114.270 114.554 0.009 0.000 2.816 79 T HA 0.441 4.791 4.350 0.000 0.000 0.282 79 T C 1.175 175.879 174.700 0.007 0.000 0.993 79 T CA -0.421 61.684 62.100 0.009 0.000 0.994 79 T CB 1.169 70.041 68.868 0.008 0.000 1.025 79 T HN 0.701 nan 8.240 nan 0.000 0.529 80 A N -0.280 122.544 122.820 0.007 0.000 2.121 80 A HA -0.008 4.312 4.320 0.000 0.000 0.218 80 A C 2.227 179.813 177.584 0.005 0.000 1.154 80 A CA 0.878 52.919 52.037 0.006 0.000 0.679 80 A CB -0.788 18.215 19.000 0.006 0.000 0.795 80 A HN 0.903 nan 8.150 nan 0.000 0.458 81 E N 0.665 120.867 120.200 0.005 0.000 1.998 81 E HA -0.187 4.163 4.350 0.000 0.000 0.195 81 E C 1.720 178.322 176.600 0.003 0.000 0.994 81 E CA 1.376 57.779 56.400 0.004 0.000 0.835 81 E CB -0.513 29.190 29.700 0.004 0.000 0.786 81 E HN 0.670 nan 8.360 nan 0.000 0.467 82 E N -0.601 119.601 120.200 0.003 0.000 2.245 82 E HA -0.284 4.066 4.350 0.000 0.000 0.217 82 E C 1.305 177.906 176.600 0.002 0.000 1.069 82 E CA 1.381 57.782 56.400 0.002 0.000 0.877 82 E CB -0.112 29.590 29.700 0.003 0.000 0.757 82 E HN 0.508 nan 8.360 nan 0.000 0.464 83 G N -0.798 108.004 108.800 0.002 0.000 2.684 83 G HA2 -0.118 3.842 3.960 0.000 0.000 0.107 83 G HA3 -0.118 3.842 3.960 0.000 0.000 0.107 83 G C -0.260 174.641 174.900 0.003 0.000 1.201 83 G CA -0.008 45.093 45.100 0.002 0.000 1.113 83 G HN 0.229 nan 8.290 nan 0.000 0.356 84 T N 0.939 115.494 114.554 0.003 0.000 2.767 84 T HA 0.501 4.851 4.350 0.000 0.000 0.288 84 T C -1.124 173.580 174.700 0.006 0.000 0.963 84 T CA 0.180 62.282 62.100 0.004 0.000 1.019 84 T CB 1.461 70.332 68.868 0.004 0.000 0.923 84 T HN 0.277 nan 8.240 nan 0.000 0.468 85 D N 3.722 124.126 120.400 0.007 0.000 2.402 85 D HA 0.188 4.829 4.640 0.000 0.000 0.235 85 D C 1.081 177.388 176.300 0.012 0.000 1.226 85 D CA -0.118 53.887 54.000 0.009 0.000 0.918 85 D CB 0.676 41.481 40.800 0.009 0.000 1.043 85 D HN 0.683 nan 8.370 nan 0.000 0.506 86 E N 1.868 122.076 120.200 0.013 0.000 2.072 86 E HA -0.109 4.241 4.350 0.000 0.000 0.190 86 E C 2.057 178.670 176.600 0.021 0.000 0.982 86 E CA 0.573 56.983 56.400 0.017 0.000 0.803 86 E CB 0.223 29.934 29.700 0.019 0.000 0.755 86 E HN 0.371 nan 8.360 nan 0.000 0.453 87 V N 1.883 121.809 119.914 0.020 0.000 2.313 87 V HA -0.353 3.767 4.120 0.000 0.000 0.253 87 V C 2.312 178.419 176.094 0.020 0.000 1.070 87 V CA 2.033 64.346 62.300 0.021 0.000 1.057 87 V CB -0.835 30.998 31.823 0.017 0.000 0.653 87 V HN 0.342 nan 8.190 nan 0.000 0.450 88 A N -1.075 121.755 122.820 0.017 0.000 2.259 88 A HA 0.003 4.323 4.320 0.000 0.000 0.212 88 A C 2.058 179.652 177.584 0.017 0.000 1.178 88 A CA 1.197 53.243 52.037 0.015 0.000 0.734 88 A CB -0.449 18.559 19.000 0.012 0.000 0.774 88 A HN 0.590 nan 8.150 nan 0.000 0.481 89 L N -0.770 120.465 121.223 0.020 0.000 2.408 89 L HA 0.222 4.562 4.340 0.000 0.000 0.215 89 L C 0.286 177.172 176.870 0.025 0.000 1.081 89 L CA -0.069 54.783 54.840 0.021 0.000 0.840 89 L CB -0.162 41.909 42.059 0.021 0.000 1.002 89 L HN 0.256 nan 8.230 nan 0.000 0.468 90 I N 1.364 121.952 120.570 0.030 0.000 2.533 90 I HA -0.017 4.153 4.170 0.000 0.000 0.284 90 I C 0.649 176.785 176.117 0.032 0.000 1.109 90 I CA -0.293 61.028 61.300 0.036 0.000 1.412 90 I CB 0.415 38.442 38.000 0.044 0.000 1.396 90 I HN -0.001 nan 8.210 nan 0.000 0.543 91 K N 6.869 127.289 120.400 0.032 0.000 2.466 91 K HA -0.035 4.285 4.320 0.000 0.000 0.278 91 K C -0.110 176.508 176.600 0.029 0.000 1.048 91 K CA 0.144 56.448 56.287 0.029 0.000 1.088 91 K CB 0.267 32.786 32.500 0.030 0.000 0.884 91 K HN 0.464 nan 8.250 nan 0.000 0.478 92 E N 3.133 123.347 120.200 0.023 0.000 2.653 92 E HA -0.039 4.311 4.350 0.000 0.000 0.264 92 E C 0.303 176.918 176.600 0.025 0.000 0.949 92 E CA 1.081 57.494 56.400 0.021 0.000 0.953 92 E CB 0.032 29.742 29.700 0.017 0.000 0.925 92 E HN 0.860 nan 8.360 nan 0.000 0.475 93 G N 1.622 110.437 108.800 0.025 0.000 2.434 93 G HA2 0.017 3.977 3.960 0.000 0.000 0.224 93 G HA3 0.017 3.977 3.960 0.000 0.000 0.224 93 G C -0.281 174.644 174.900 0.041 0.000 0.807 93 G CA 0.085 45.202 45.100 0.029 0.000 1.113 93 G HN 0.766 nan 8.290 nan 0.000 0.327 94 A N 1.042 123.894 122.820 0.053 0.000 2.564 94 A HA 0.933 5.253 4.320 0.000 0.000 0.291 94 A C -0.379 177.266 177.584 0.101 0.000 1.102 94 A CA -0.032 52.049 52.037 0.074 0.000 0.660 94 A CB 1.170 20.210 19.000 0.066 0.000 1.283 94 A HN 1.882 nan 8.150 nan 0.000 0.430 95 V N 0.722 120.721 119.914 0.141 0.000 2.472 95 V HA 0.654 4.774 4.120 0.000 0.000 0.290 95 V C -0.312 175.911 176.094 0.215 0.000 1.037 95 V CA -0.637 61.792 62.300 0.215 0.000 0.908 95 V CB 1.392 33.385 31.823 0.285 0.000 0.985 95 V HN 0.757 nan 8.190 nan 0.000 0.454 96 L N 6.004 127.367 121.223 0.233 0.000 2.376 96 L HA 0.659 4.999 4.340 0.000 0.000 0.275 96 L C -1.029 175.992 176.870 0.253 0.000 0.987 96 L CA -0.387 54.577 54.840 0.207 0.000 0.828 96 L CB 1.756 43.888 42.059 0.122 0.000 1.249 96 L HN 0.749 nan 8.230 nan 0.000 0.409 97 M N 6.081 125.832 119.600 0.252 0.000 2.253 97 M HA 0.545 5.025 4.480 0.000 0.000 0.314 97 M C -0.655 175.672 176.300 0.046 0.000 1.019 97 M CA -0.375 54.999 55.300 0.123 0.000 0.932 97 M CB 1.844 34.497 32.600 0.088 0.000 1.606 97 M HN 0.834 nan 8.290 nan 0.000 0.430 98 C N 0.658 119.959 119.300 0.001 0.000 3.056 98 C HA 0.315 4.775 4.460 0.000 0.000 0.336 98 C C -1.022 174.032 174.990 0.108 0.000 1.356 98 C CA -1.118 57.964 59.018 0.106 0.000 1.216 98 C CB 1.006 28.837 27.740 0.151 0.000 1.391 98 C HN 1.004 nan 8.230 nan 0.000 0.445 99 H N 1.365 120.539 119.070 0.173 0.000 3.118 99 H HA 0.458 5.014 4.556 0.000 0.000 0.266 99 H C 0.909 176.263 175.328 0.044 0.000 1.465 99 H CA -0.294 55.821 56.048 0.112 0.000 1.460 99 H CB 0.415 30.284 29.762 0.179 0.000 1.661 99 H HN 0.598 nan 8.280 nan 0.000 0.516 100 L N 4.079 125.301 121.223 -0.003 0.000 2.083 100 L HA 0.042 4.382 4.340 0.000 0.000 0.209 100 L C 1.922 178.824 176.870 0.053 0.000 1.083 100 L CA 1.876 56.725 54.840 0.016 0.000 0.752 100 L CB -0.613 41.412 42.059 -0.057 0.000 0.899 100 L HN 1.022 nan 8.230 nan 0.000 0.433 101 G N -1.990 106.807 108.800 -0.006 0.000 2.273 101 G HA2 -0.310 3.650 3.960 0.000 0.000 0.280 101 G HA3 -0.310 3.650 3.960 0.000 0.000 0.280 101 G C 1.215 176.117 174.900 0.004 0.000 1.047 101 G CA 0.844 45.989 45.100 0.076 0.000 0.869 101 G HN 0.690 nan 8.290 nan 0.000 0.502 102 A N -0.222 122.561 122.820 -0.063 0.000 1.877 102 A HA 0.089 4.409 4.320 0.000 0.000 0.216 102 A C 2.390 179.945 177.584 -0.048 0.000 1.186 102 A CA 1.663 53.659 52.037 -0.068 0.000 0.620 102 A CB -0.313 18.609 19.000 -0.129 0.000 0.822 102 A HN 0.995 nan 8.150 nan 0.000 0.443 103 L N 0.236 121.427 121.223 -0.053 0.000 2.651 103 L HA -0.089 4.251 4.340 0.000 0.000 0.236 103 L C 0.949 177.820 176.870 0.002 0.000 1.173 103 L CA 1.384 56.212 54.840 -0.020 0.000 0.843 103 L CB -0.973 41.078 42.059 -0.013 0.000 0.964 103 L HN 0.670 nan 8.230 nan 0.000 0.454 104 T N -5.337 109.219 114.554 0.004 0.000 3.855 104 T HA 0.191 4.541 4.350 0.000 0.000 0.313 104 T C 0.248 174.955 174.700 0.013 0.000 0.938 104 T CA -0.482 61.625 62.100 0.012 0.000 1.011 104 T CB -0.182 68.698 68.868 0.020 0.000 1.188 104 T HN 0.134 nan 8.240 nan 0.000 0.477 105 N N 0.821 119.526 118.700 0.007 0.000 2.605 105 N HA 0.207 4.947 4.740 0.000 0.000 0.265 105 N C 0.749 176.261 175.510 0.003 0.000 1.625 105 N CA -0.245 52.810 53.050 0.008 0.000 0.862 105 N CB 1.242 39.738 38.487 0.015 0.000 1.415 105 N HN 0.020 nan 8.380 nan 0.000 0.513 106 R N 1.852 122.354 120.500 0.003 0.000 2.113 106 R HA -0.094 4.246 4.340 0.000 0.000 0.244 106 R C -0.593 175.708 176.300 0.002 0.000 1.142 106 R CA 2.094 58.195 56.100 0.002 0.000 0.953 106 R CB -1.092 29.211 30.300 0.005 0.000 0.860 106 R HN 0.340 nan 8.270 nan 0.000 0.438 107 P HA -0.251 nan 4.420 nan 0.000 0.219 107 P C 1.389 178.691 177.300 0.004 0.000 1.153 107 P CA 1.468 64.571 63.100 0.004 0.000 0.865 107 P CB -0.082 31.621 31.700 0.005 0.000 0.788 108 V N -0.616 119.300 119.914 0.004 0.000 2.535 108 V HA -0.111 4.009 4.120 0.000 0.000 0.246 108 V C 2.534 178.628 176.094 -0.000 0.000 1.045 108 V CA 1.133 63.436 62.300 0.005 0.000 1.058 108 V CB -0.585 31.243 31.823 0.009 0.000 0.689 108 V HN -0.113 nan 8.190 nan 0.000 0.461 109 V N 0.065 119.976 119.914 -0.006 0.000 2.295 109 V HA -0.224 3.896 4.120 0.000 0.000 0.246 109 V C 2.458 178.547 176.094 -0.008 0.000 1.049 109 V CA 2.365 64.657 62.300 -0.013 0.000 1.024 109 V CB -0.752 31.062 31.823 -0.015 0.000 0.648 109 V HN 0.557 nan 8.190 nan 0.000 0.447 110 E N 0.642 120.840 120.200 -0.003 0.000 2.007 110 E HA -0.169 4.181 4.350 0.000 0.000 0.194 110 E C 2.247 178.847 176.600 0.000 0.000 0.999 110 E CA 1.634 58.033 56.400 -0.001 0.000 0.811 110 E CB -0.675 29.026 29.700 0.002 0.000 0.762 110 E HN 0.503 nan 8.360 nan 0.000 0.450 111 A N -0.047 122.775 122.820 0.002 0.000 2.139 111 A HA -0.172 4.148 4.320 0.000 0.000 0.221 111 A C 2.090 179.677 177.584 0.005 0.000 1.159 111 A CA 1.162 53.202 52.037 0.004 0.000 0.662 111 A CB -0.521 18.482 19.000 0.006 0.000 0.796 111 A HN 0.245 nan 8.150 nan 0.000 0.463 112 L N -2.168 119.056 121.223 0.002 0.000 2.121 112 L HA -0.061 4.279 4.340 0.000 0.000 0.200 112 L C 2.757 179.626 176.870 -0.002 0.000 1.077 112 L CA 1.370 56.212 54.840 0.002 0.000 0.766 112 L CB -0.868 41.189 42.059 -0.003 0.000 0.931 112 L HN 0.284 nan 8.230 nan 0.000 0.452 113 T N -0.127 114.423 114.554 -0.007 0.000 2.564 113 T HA -0.301 4.050 4.350 0.000 0.000 0.264 113 T C 1.810 176.508 174.700 -0.003 0.000 1.100 113 T CA 1.807 63.902 62.100 -0.008 0.000 1.171 113 T CB -0.184 68.679 68.868 -0.007 0.000 0.863 113 T HN 0.007 nan 8.240 nan 0.000 0.430 114 K N 0.778 121.178 120.400 0.000 0.000 2.444 114 K HA -0.019 4.301 4.320 0.000 0.000 0.200 114 K C 1.899 178.501 176.600 0.005 0.000 1.045 114 K CA 0.897 57.185 56.287 0.002 0.000 0.934 114 K CB -0.067 32.435 32.500 0.003 0.000 0.756 114 K HN 0.186 nan 8.250 nan 0.000 0.477 115 R N 0.065 120.568 120.500 0.006 0.000 2.362 115 R HA 0.132 4.472 4.340 0.000 0.000 0.227 115 R C -0.124 176.182 176.300 0.010 0.000 0.905 115 R CA -0.032 56.074 56.100 0.009 0.000 1.067 115 R CB 0.450 30.758 30.300 0.013 0.000 1.078 115 R HN 0.001 nan 8.270 nan 0.000 0.516 116 K N 0.443 120.846 120.400 0.005 0.000 3.281 116 K HA -0.148 4.172 4.320 0.000 0.000 0.295 116 K C -0.139 176.465 176.600 0.007 0.000 1.233 116 K CA 0.562 56.852 56.287 0.005 0.000 0.866 116 K CB -1.451 31.055 32.500 0.009 0.000 1.265 116 K HN 0.136 nan 8.250 nan 0.000 0.482 117 I N 1.936 122.509 120.570 0.005 0.000 2.396 117 I HA 0.046 4.216 4.170 0.000 0.000 0.289 117 I C 0.807 176.914 176.117 -0.016 0.000 1.056 117 I CA 0.286 61.591 61.300 0.009 0.000 1.365 117 I CB 0.904 38.913 38.000 0.015 0.000 1.407 117 I HN -0.084 nan 8.210 nan 0.000 0.509 118 T N 6.804 121.347 114.554 -0.017 0.000 2.728 118 T HA 0.550 4.900 4.350 0.000 0.000 0.296 118 T C 0.216 174.836 174.700 -0.133 0.000 0.940 118 T CA -0.454 61.586 62.100 -0.101 0.000 1.013 118 T CB 0.880 69.702 68.868 -0.077 0.000 0.912 118 T HN 0.704 nan 8.240 nan 0.000 0.484 119 A N 3.885 126.575 122.820 -0.217 0.000 2.330 119 A HA 0.693 5.013 4.320 0.000 0.000 0.313 119 A C -1.268 176.149 177.584 -0.277 0.000 1.124 119 A CA -0.759 51.191 52.037 -0.145 0.000 0.774 119 A CB 0.676 19.640 19.000 -0.059 0.000 1.198 119 A HN 0.810 nan 8.150 nan 0.000 0.465 120 Y N 1.387 121.676 120.300 -0.019 0.000 2.341 120 Y HA 0.478 5.028 4.550 0.000 0.000 0.340 120 Y C 0.842 176.648 175.900 -0.157 0.000 0.997 120 Y CA -0.234 57.819 58.100 -0.079 0.000 1.149 120 Y CB 1.749 40.152 38.460 -0.095 0.000 1.171 120 Y HN 0.755 nan 8.280 nan 0.000 0.494 121 A N 5.421 128.200 122.820 -0.070 0.000 2.798 121 A HA 0.218 4.538 4.320 0.000 0.000 0.316 121 A C 1.243 178.703 177.584 -0.207 0.000 1.506 121 A CA -0.507 51.438 52.037 -0.155 0.000 1.162 121 A CB -0.177 18.702 19.000 -0.202 0.000 1.138 121 A HN 0.903 nan 8.150 nan 0.000 0.532 122 M N 1.347 120.798 119.600 -0.249 0.000 2.192 122 M HA -0.203 4.277 4.480 0.000 0.000 0.256 122 M C 2.056 178.198 176.300 -0.263 0.000 1.076 122 M CA 1.927 57.036 55.300 -0.320 0.000 1.075 122 M CB -0.815 31.559 32.600 -0.377 0.000 1.368 122 M HN 0.947 nan 8.290 nan 0.000 0.406 123 E N 0.412 120.419 120.200 -0.322 0.000 2.516 123 E HA -0.114 4.236 4.350 0.000 0.000 0.199 123 E C 1.199 177.696 176.600 -0.171 0.000 1.069 123 E CA 0.660 56.890 56.400 -0.285 0.000 0.876 123 E CB -0.375 28.978 29.700 -0.578 0.000 0.843 123 E HN 0.539 nan 8.360 nan 0.000 0.530 124 L N 0.894 122.022 121.223 -0.159 0.000 2.910 124 L HA 0.294 4.634 4.340 0.000 0.000 0.252 124 L C 0.557 177.409 176.870 -0.030 0.000 1.195 124 L CA -0.697 54.090 54.840 -0.089 0.000 1.003 124 L CB 0.208 42.193 42.059 -0.123 0.000 1.328 124 L HN 0.083 nan 8.230 nan 0.000 0.540 125 M N 2.885 122.457 119.600 -0.046 0.000 2.252 125 M HA 0.149 4.629 4.480 0.000 0.000 0.348 125 M C -2.015 174.304 176.300 0.031 0.000 1.334 125 M CA -1.387 53.916 55.300 0.005 0.000 1.071 125 M CB 0.139 32.727 32.600 -0.020 0.000 1.763 125 M HN -0.178 nan 8.290 nan 0.000 0.452 126 P HA 0.059 nan 4.420 nan 0.000 0.271 126 P C -0.850 176.474 177.300 0.041 0.000 1.216 126 P CA -0.113 63.019 63.100 0.054 0.000 0.776 126 P CB 0.388 32.128 31.700 0.067 0.000 0.881 127 R N 3.286 123.807 120.500 0.033 0.000 4.828 127 R HA 0.107 4.447 4.340 0.000 0.000 0.167 127 R C 0.617 176.933 176.300 0.027 0.000 2.071 127 R CA 0.101 56.218 56.100 0.028 0.000 1.630 127 R CB -1.658 28.657 30.300 0.026 0.000 1.359 127 R HN 0.586 nan 8.270 nan 0.000 0.834 128 I N -2.856 117.732 120.570 0.029 0.000 2.441 128 I HA 0.253 4.423 4.170 0.000 0.000 0.295 128 I C 0.935 177.064 176.117 0.021 0.000 0.994 128 I CA -0.584 60.731 61.300 0.025 0.000 1.144 128 I CB 2.151 40.168 38.000 0.029 0.000 1.314 128 I HN -0.120 nan 8.210 nan 0.000 0.445 129 S N 4.532 120.242 115.700 0.016 0.000 2.421 129 S HA -0.270 4.200 4.470 0.000 0.000 0.239 129 S C 1.666 176.272 174.600 0.010 0.000 1.054 129 S CA 2.441 60.648 58.200 0.012 0.000 1.035 129 S CB -0.590 62.616 63.200 0.010 0.000 0.840 129 S HN 0.876 nan 8.310 nan 0.000 0.475 130 R N 0.730 121.237 120.500 0.011 0.000 2.280 130 R HA 0.418 4.758 4.340 0.000 0.000 0.195 130 R C 1.842 178.148 176.300 0.011 0.000 0.935 130 R CA 0.772 56.876 56.100 0.007 0.000 1.033 130 R CB -0.143 30.159 30.300 0.004 0.000 0.964 130 R HN 0.311 nan 8.270 nan 0.000 0.489 131 A N 1.103 123.936 122.820 0.022 0.000 2.147 131 A HA 0.029 4.349 4.320 0.000 0.000 0.211 131 A C 1.853 179.450 177.584 0.022 0.000 1.160 131 A CA 0.038 52.096 52.037 0.035 0.000 0.781 131 A CB -0.043 18.988 19.000 0.051 0.000 0.842 131 A HN 0.332 nan 8.150 nan 0.000 0.475 132 Q N 0.662 120.470 119.800 0.012 0.000 2.156 132 Q HA -0.229 4.111 4.340 0.000 0.000 0.211 132 Q C 1.979 177.977 176.000 -0.005 0.000 0.995 132 Q CA 2.209 58.014 55.803 0.004 0.000 0.877 132 Q CB -0.322 28.419 28.738 0.005 0.000 0.920 132 Q HN 0.811 nan 8.270 nan 0.000 0.416 133 S N -1.090 114.607 115.700 -0.004 0.000 2.660 133 S HA 0.023 4.493 4.470 0.000 0.000 0.228 133 S C 1.152 175.738 174.600 -0.023 0.000 0.966 133 S CA 0.512 58.704 58.200 -0.012 0.000 0.940 133 S CB 0.051 63.246 63.200 -0.009 0.000 0.773 133 S HN 0.309 nan 8.310 nan 0.000 0.535 134 M N 0.314 119.901 119.600 -0.021 0.000 2.314 134 M HA 0.312 4.792 4.480 0.000 0.000 0.383 134 M C -0.574 175.669 176.300 -0.094 0.000 0.984 134 M CA -0.270 55.007 55.300 -0.039 0.000 0.982 134 M CB 0.722 33.364 32.600 0.069 0.000 1.745 134 M HN -0.005 nan 8.290 nan 0.000 0.600 135 D N 2.338 122.696 120.400 -0.070 0.000 2.339 135 D HA 0.189 4.829 4.640 0.000 0.000 0.241 135 D C 1.092 177.333 176.300 -0.098 0.000 1.183 135 D CA -0.133 53.822 54.000 -0.076 0.000 0.859 135 D CB 0.873 41.656 40.800 -0.029 0.000 1.067 135 D HN 0.454 nan 8.370 nan 0.000 0.484 136 I N 1.587 122.063 120.570 -0.158 0.000 2.252 136 I HA -0.177 3.993 4.170 0.000 0.000 0.245 136 I C 1.926 178.065 176.117 0.038 0.000 1.102 136 I CA 0.485 61.709 61.300 -0.126 0.000 1.385 136 I CB -0.257 37.595 38.000 -0.247 0.000 1.064 136 I HN 0.280 nan 8.210 nan 0.000 0.414 137 L N 1.132 122.383 121.223 0.047 0.000 2.010 137 L HA -0.250 4.090 4.340 0.000 0.000 0.219 137 L C 2.833 179.739 176.870 0.060 0.000 1.077 137 L CA 2.101 56.988 54.840 0.079 0.000 0.773 137 L CB -0.898 41.196 42.059 0.058 0.000 0.892 137 L HN 0.368 nan 8.230 nan 0.000 0.436 138 S N -0.414 115.307 115.700 0.035 0.000 2.357 138 S HA -0.119 4.351 4.470 0.000 0.000 0.221 138 S C 1.657 176.277 174.600 0.034 0.000 1.031 138 S CA 1.260 59.479 58.200 0.032 0.000 0.982 138 S CB -0.280 62.932 63.200 0.020 0.000 0.853 138 S HN 0.582 nan 8.310 nan 0.000 0.458 139 S N 1.002 116.717 115.700 0.026 0.000 3.048 139 S HA 0.162 4.632 4.470 0.000 0.000 0.254 139 S C 0.781 175.418 174.600 0.061 0.000 1.084 139 S CA 0.038 58.255 58.200 0.029 0.000 1.195 139 S CB -0.161 63.044 63.200 0.009 0.000 0.870 139 S HN 0.313 nan 8.310 nan 0.000 0.483 140 Q N 0.123 119.963 119.800 0.066 0.000 2.340 140 Q HA 0.045 4.385 4.340 0.000 0.000 0.173 140 Q C 1.580 177.616 176.000 0.060 0.000 0.692 140 Q CA 1.118 56.965 55.803 0.073 0.000 0.904 140 Q CB -0.676 28.126 28.738 0.107 0.000 1.228 140 Q HN 0.680 nan 8.270 nan 0.000 0.387 141 S N 1.141 116.877 115.700 0.060 0.000 2.595 141 S HA -0.060 4.410 4.470 0.000 0.000 0.235 141 S C 1.215 175.851 174.600 0.059 0.000 0.974 141 S CA 1.370 59.604 58.200 0.056 0.000 0.942 141 S CB -0.107 63.127 63.200 0.055 0.000 0.766 141 S HN 0.292 nan 8.310 nan 0.000 0.536 142 N N 1.626 120.361 118.700 0.058 0.000 2.322 142 N HA 0.201 4.941 4.740 0.000 0.000 0.186 142 N C 1.517 177.077 175.510 0.083 0.000 1.037 142 N CA 0.810 53.896 53.050 0.060 0.000 0.869 142 N CB -0.498 38.014 38.487 0.040 0.000 1.036 142 N HN 0.350 nan 8.380 nan 0.000 0.439 143 L N 0.261 121.527 121.223 0.072 0.000 2.187 143 L HA -0.075 4.265 4.340 0.000 0.000 0.213 143 L C 2.247 179.211 176.870 0.155 0.000 1.100 143 L CA 1.139 56.042 54.840 0.105 0.000 0.765 143 L CB -0.575 41.520 42.059 0.060 0.000 0.904 143 L HN 0.281 nan 8.230 nan 0.000 0.437 144 A N 0.213 123.092 122.820 0.098 0.000 1.929 144 A HA -0.055 4.265 4.320 0.000 0.000 0.216 144 A C 2.381 180.012 177.584 0.078 0.000 1.176 144 A CA 1.463 53.546 52.037 0.076 0.000 0.628 144 A CB -0.908 18.124 19.000 0.053 0.000 0.816 144 A HN 0.421 nan 8.150 nan 0.000 0.444 145 G N -1.905 106.952 108.800 0.094 0.000 2.484 145 G HA2 -0.130 3.830 3.960 0.000 0.000 0.218 145 G HA3 -0.130 3.830 3.960 0.000 0.000 0.218 145 G C 1.420 176.378 174.900 0.097 0.000 1.130 145 G CA 1.138 46.288 45.100 0.084 0.000 0.784 145 G HN 0.591 nan 8.290 nan 0.000 0.543 146 Y N 1.481 121.790 120.300 0.014 0.000 2.114 146 Y HA 0.021 4.571 4.550 0.000 0.000 0.284 146 Y C 2.849 178.748 175.900 -0.001 0.000 1.119 146 Y CA 1.725 59.827 58.100 0.004 0.000 1.108 146 Y CB -0.394 38.064 38.460 -0.004 0.000 0.995 146 Y HN 0.103 nan 8.280 nan 0.000 0.491 147 R N 1.267 121.665 120.500 -0.171 0.000 2.117 147 R HA -0.174 4.166 4.340 0.000 0.000 0.243 147 R C 2.278 178.472 176.300 -0.177 0.000 1.143 147 R CA 1.559 57.509 56.100 -0.251 0.000 0.968 147 R CB -1.173 29.106 30.300 -0.036 0.000 0.863 147 R HN 0.556 nan 8.270 nan 0.000 0.444 148 A N -0.341 122.434 122.820 -0.074 0.000 1.869 148 A HA -0.215 4.105 4.320 0.000 0.000 0.218 148 A C 2.343 179.899 177.584 -0.046 0.000 1.203 148 A CA 2.223 54.247 52.037 -0.021 0.000 0.638 148 A CB -1.158 17.851 19.000 0.014 0.000 0.831 148 A HN 0.184 nan 8.150 nan 0.000 0.450 149 V N 0.453 120.314 119.914 -0.088 0.000 2.252 149 V HA -0.302 3.818 4.120 0.000 0.000 0.249 149 V C 2.494 178.482 176.094 -0.177 0.000 1.056 149 V CA 2.057 64.304 62.300 -0.088 0.000 1.022 149 V CB -0.740 31.022 31.823 -0.102 0.000 0.641 149 V HN 0.538 nan 8.190 nan 0.000 0.445 150 I N 0.307 120.680 120.570 -0.329 0.000 2.127 150 I HA -0.236 3.934 4.170 0.000 0.000 0.241 150 I C 2.295 178.355 176.117 -0.095 0.000 1.075 150 I CA 1.874 62.999 61.300 -0.292 0.000 1.334 150 I CB -1.412 36.332 38.000 -0.426 0.000 1.040 150 I HN 0.394 nan 8.210 nan 0.000 0.405 151 D N 0.507 120.874 120.400 -0.054 0.000 2.264 151 D HA -0.090 4.550 4.640 0.000 0.000 0.208 151 D C 2.190 178.584 176.300 0.156 0.000 0.966 151 D CA 1.260 55.308 54.000 0.080 0.000 0.864 151 D CB -0.197 40.673 40.800 0.116 0.000 0.933 151 D HN 0.421 nan 8.370 nan 0.000 0.499 152 G N 0.940 109.800 108.800 0.100 0.000 2.394 152 G HA2 -0.112 3.848 3.960 0.000 0.000 0.215 152 G HA3 -0.112 3.848 3.960 0.000 0.000 0.215 152 G C 1.697 176.748 174.900 0.252 0.000 1.165 152 G CA 0.873 46.058 45.100 0.143 0.000 0.784 152 G HN 0.363 nan 8.290 nan 0.000 0.535 153 A N -0.348 122.605 122.820 0.222 0.000 1.970 153 A HA 0.116 4.436 4.320 0.000 0.000 0.216 153 A C 2.140 179.904 177.584 0.300 0.000 1.170 153 A CA 1.309 53.542 52.037 0.327 0.000 0.645 153 A CB -0.538 18.300 19.000 -0.271 0.000 0.816 153 A HN 0.418 nan 8.150 nan 0.000 0.447 154 Y N 0.776 121.129 120.300 0.089 0.000 2.274 154 Y HA -0.105 4.445 4.550 0.000 0.000 0.290 154 Y C 1.696 177.666 175.900 0.116 0.000 1.145 154 Y CA 1.866 60.011 58.100 0.075 0.000 1.203 154 Y CB 0.241 38.722 38.460 0.035 0.000 0.984 154 Y HN 0.293 nan 8.280 nan 0.000 0.533 155 E N -0.636 119.679 120.200 0.190 0.000 2.474 155 E HA -0.002 4.348 4.350 0.000 0.000 0.195 155 E C -0.604 176.107 176.600 0.186 0.000 1.039 155 E CA -0.068 56.398 56.400 0.110 0.000 0.881 155 E CB -0.159 29.637 29.700 0.161 0.000 0.970 155 E HN 0.194 nan 8.360 nan 0.000 0.486 156 F N 1.213 121.192 119.950 0.047 0.000 2.394 156 F HA 0.399 4.926 4.527 0.000 0.000 0.340 156 F C 1.058 176.869 175.800 0.019 0.000 1.105 156 F CA -1.273 56.764 58.000 0.061 0.000 1.124 156 F CB 1.312 40.411 39.000 0.165 0.000 1.145 156 F HN -0.136 nan 8.300 nan 0.000 0.505 157 A N 6.399 129.059 122.820 -0.266 0.000 2.251 157 A HA 0.253 4.573 4.320 0.000 0.000 0.209 157 A C 1.048 178.325 177.584 -0.512 0.000 1.187 157 A CA 0.181 52.023 52.037 -0.325 0.000 0.823 157 A CB -0.223 18.663 19.000 -0.189 0.000 0.846 157 A HN 0.763 nan 8.150 nan 0.000 0.486 158 R N -1.840 118.043 120.500 -1.028 0.000 3.055 158 R HA 0.752 5.092 4.340 0.000 0.000 0.231 158 R C -0.431 175.652 176.300 -0.361 0.000 1.443 158 R CA -0.268 55.398 56.100 -0.724 0.000 1.063 158 R CB 1.263 31.038 30.300 -0.875 0.000 1.514 158 R HN 0.197 nan 8.270 nan 0.000 0.510 159 A N 0.186 122.939 122.820 -0.111 0.000 2.325 159 A HA 0.446 4.766 4.320 0.000 0.000 0.333 159 A C -0.191 177.554 177.584 0.269 0.000 1.155 159 A CA -0.512 51.597 52.037 0.120 0.000 0.814 159 A CB 0.437 19.478 19.000 0.068 0.000 1.206 159 A HN 0.631 nan 8.150 nan 0.000 0.482 160 F N 1.537 121.563 119.950 0.127 0.000 2.098 160 F HA 0.053 4.580 4.527 0.000 0.000 0.294 160 F C -0.944 174.909 175.800 0.089 0.000 1.107 160 F CA 0.979 59.066 58.000 0.145 0.000 1.234 160 F CB -0.694 38.376 39.000 0.117 0.000 1.002 160 F HN 0.339 nan 8.300 nan 0.000 0.472 161 P HA 0.009 nan 4.420 nan 0.000 0.274 161 P C -0.495 176.858 177.300 0.089 0.000 1.256 161 P CA -0.245 62.941 63.100 0.144 0.000 0.795 161 P CB 0.833 32.605 31.700 0.119 0.000 1.038 162 M N 2.047 121.685 119.600 0.063 0.000 2.180 162 M HA 0.375 4.855 4.480 0.000 0.000 0.358 162 M C -0.875 175.447 176.300 0.036 0.000 1.233 162 M CA -0.007 55.317 55.300 0.041 0.000 1.114 162 M CB 0.098 32.716 32.600 0.031 0.000 1.594 162 M HN 0.250 nan 8.290 nan 0.000 0.467 163 M N 5.699 125.316 119.600 0.028 0.000 2.213 163 M HA 0.377 4.857 4.480 0.000 0.000 0.286 163 M C -1.410 174.899 176.300 0.015 0.000 1.008 163 M CA -0.442 54.872 55.300 0.023 0.000 0.937 163 M CB 2.313 34.927 32.600 0.023 0.000 1.600 163 M HN 0.685 nan 8.290 nan 0.000 0.450 164 M N 3.270 122.878 119.600 0.013 0.000 2.077 164 M HA 0.315 4.795 4.480 0.000 0.000 0.348 164 M C 0.067 176.371 176.300 0.008 0.000 1.252 164 M CA 0.048 55.354 55.300 0.009 0.000 1.096 164 M CB 0.981 33.587 32.600 0.009 0.000 1.568 164 M HN 0.712 nan 8.290 nan 0.000 0.456 165 T N 0.092 114.649 114.554 0.005 0.000 2.926 165 T HA 0.741 5.091 4.350 0.000 0.000 0.289 165 T C 0.970 175.671 174.700 0.002 0.000 1.054 165 T CA -0.575 61.527 62.100 0.004 0.000 1.015 165 T CB 1.579 70.449 68.868 0.003 0.000 1.167 165 T HN 0.529 nan 8.240 nan 0.000 0.526 166 A N 0.305 123.126 122.820 0.002 0.000 2.070 166 A HA 0.357 4.677 4.320 0.000 0.000 0.220 166 A C 2.169 179.753 177.584 -0.001 0.000 1.159 166 A CA 1.300 53.337 52.037 0.001 0.000 0.656 166 A CB -1.164 17.837 19.000 0.001 0.000 0.800 166 A HN 1.281 nan 8.150 nan 0.000 0.453 167 A N -1.336 121.483 122.820 -0.002 0.000 2.379 167 A HA 0.522 4.842 4.320 0.000 0.000 0.236 167 A C 1.078 178.660 177.584 -0.004 0.000 1.272 167 A CA 0.911 52.946 52.037 -0.004 0.000 0.886 167 A CB -0.889 18.108 19.000 -0.005 0.000 0.962 167 A HN 1.962 nan 8.150 nan 0.000 0.504 168 G N -1.768 107.031 108.800 -0.002 0.000 2.408 168 G HA2 0.150 4.110 3.960 0.000 0.000 0.682 168 G HA3 0.150 4.110 3.960 0.000 0.000 0.682 168 G C -0.554 174.345 174.900 -0.001 0.000 1.303 168 G CA -0.438 44.661 45.100 -0.002 0.000 0.966 168 G HN 0.487 nan 8.290 nan 0.000 0.560 169 T N 0.440 114.993 114.554 -0.001 0.000 2.743 169 T HA 0.519 4.869 4.350 0.000 0.000 0.292 169 T C 0.493 175.194 174.700 0.001 0.000 0.972 169 T CA 0.283 62.384 62.100 0.002 0.000 0.967 169 T CB 1.417 70.287 68.868 0.003 0.000 0.926 169 T HN 1.746 nan 8.240 nan 0.000 0.459 170 V N 7.081 126.996 119.914 0.003 0.000 2.427 170 V HA 0.420 4.540 4.120 0.000 0.000 0.268 170 V C -2.247 173.852 176.094 0.009 0.000 1.046 170 V CA -1.929 60.372 62.300 0.002 0.000 0.970 170 V CB 0.521 32.345 31.823 0.002 0.000 1.001 170 V HN 0.597 nan 8.190 nan 0.000 0.476 171 P HA 0.425 nan 4.420 nan 0.000 0.276 171 P C -2.845 174.466 177.300 0.019 0.000 1.252 171 P CA -1.933 61.173 63.100 0.010 0.000 0.802 171 P CB 0.792 32.495 31.700 0.004 0.000 1.035 172 P HA 0.164 nan 4.420 nan 0.000 0.274 172 P C -0.324 176.962 177.300 -0.024 0.000 1.237 172 P CA -0.134 62.975 63.100 0.015 0.000 0.793 172 P CB 0.573 32.282 31.700 0.015 0.000 0.977 173 A N 3.392 126.151 122.820 -0.101 0.000 2.280 173 A HA 0.404 4.724 4.320 0.000 0.000 0.268 173 A C 0.213 177.663 177.584 -0.223 0.000 1.111 173 A CA -0.412 51.484 52.037 -0.235 0.000 0.814 173 A CB 0.133 18.683 19.000 -0.751 0.000 1.093 173 A HN 0.553 nan 8.150 nan 0.000 0.498 174 R N 0.150 120.500 120.500 -0.251 0.000 2.545 174 R HA 0.419 4.759 4.340 0.000 0.000 0.289 174 R C -1.317 174.858 176.300 -0.209 0.000 1.327 174 R CA -0.443 55.551 56.100 -0.176 0.000 1.040 174 R CB 1.498 31.728 30.300 -0.117 0.000 1.176 174 R HN 0.478 nan 8.270 nan 0.000 0.518 175 V N 3.166 122.967 119.914 -0.188 0.000 3.133 175 V HA 0.381 4.501 4.120 0.000 0.000 0.305 175 V C 0.296 176.300 176.094 -0.151 0.000 1.084 175 V CA -0.583 61.622 62.300 -0.158 0.000 1.089 175 V CB 1.425 33.200 31.823 -0.080 0.000 1.073 175 V HN 0.587 nan 8.190 nan 0.000 0.477 176 L N 2.897 124.024 121.223 -0.159 0.000 2.482 176 L HA 0.613 4.953 4.340 0.000 0.000 0.269 176 L C -1.342 175.370 176.870 -0.265 0.000 0.967 176 L CA -0.473 54.198 54.840 -0.282 0.000 0.851 176 L CB 1.921 43.785 42.059 -0.325 0.000 1.242 176 L HN 0.528 nan 8.230 nan 0.000 0.404 177 V N 5.499 125.232 119.914 -0.301 0.000 2.376 177 V HA 0.495 4.615 4.120 0.000 0.000 0.287 177 V C -0.862 175.111 176.094 -0.202 0.000 1.015 177 V CA -0.231 61.988 62.300 -0.136 0.000 0.834 177 V CB 1.350 33.146 31.823 -0.045 0.000 1.001 177 V HN 0.525 nan 8.190 nan 0.000 0.428 178 F N 5.309 125.223 119.950 -0.060 0.000 2.424 178 F HA 0.726 5.253 4.527 0.000 0.000 0.356 178 F C 1.026 176.805 175.800 -0.034 0.000 1.110 178 F CA 0.297 58.259 58.000 -0.064 0.000 1.161 178 F CB 1.406 40.372 39.000 -0.057 0.000 1.115 178 F HN 0.838 nan 8.300 nan 0.000 0.507 179 G N 2.210 111.086 108.800 0.126 0.000 3.035 179 G HA2 -0.038 3.922 3.960 0.000 0.000 0.674 179 G HA3 -0.038 3.922 3.960 0.000 0.000 0.674 179 G C -0.906 174.038 174.900 0.074 0.000 1.159 179 G CA -1.109 44.049 45.100 0.097 0.000 1.098 179 G HN 0.612 nan 8.290 nan 0.000 0.473 180 V N 3.190 123.151 119.914 0.079 0.000 2.847 180 V HA 0.548 4.668 4.120 0.000 0.000 0.364 180 V C 1.613 177.755 176.094 0.079 0.000 1.374 180 V CA 0.692 63.043 62.300 0.085 0.000 1.542 180 V CB -0.112 31.789 31.823 0.130 0.000 1.471 180 V HN 1.087 nan 8.190 nan 0.000 0.557 181 G N 0.271 109.112 108.800 0.069 0.000 2.666 181 G HA2 0.305 4.265 3.960 0.000 0.000 0.207 181 G HA3 0.305 4.265 3.960 0.000 0.000 0.207 181 G C 1.147 176.080 174.900 0.056 0.000 1.481 181 G CA 0.108 45.244 45.100 0.061 0.000 1.071 181 G HN 0.081 nan 8.290 nan 0.000 0.572 182 V N 1.003 120.948 119.914 0.051 0.000 2.261 182 V HA -0.130 3.990 4.120 0.000 0.000 0.246 182 V C 3.334 179.461 176.094 0.055 0.000 1.047 182 V CA 2.607 64.936 62.300 0.049 0.000 1.015 182 V CB -0.968 30.882 31.823 0.045 0.000 0.642 182 V HN 0.727 nan 8.190 nan 0.000 0.446 183 A N 0.309 123.163 122.820 0.058 0.000 1.902 183 A HA -0.082 4.238 4.320 0.000 0.000 0.217 183 A C 2.411 180.033 177.584 0.063 0.000 1.181 183 A CA 1.897 53.972 52.037 0.063 0.000 0.623 183 A CB -1.282 17.754 19.000 0.060 0.000 0.818 183 A HN 0.543 nan 8.150 nan 0.000 0.443 184 G N -0.424 108.413 108.800 0.061 0.000 2.450 184 G HA2 -0.169 3.791 3.960 0.000 0.000 0.220 184 G HA3 -0.169 3.791 3.960 0.000 0.000 0.220 184 G C 1.515 176.448 174.900 0.056 0.000 1.130 184 G CA 0.955 46.090 45.100 0.058 0.000 0.760 184 G HN 0.408 nan 8.290 nan 0.000 0.557 185 L N -0.431 120.828 121.223 0.059 0.000 2.093 185 L HA -0.066 4.274 4.340 0.000 0.000 0.208 185 L C 2.920 179.827 176.870 0.060 0.000 1.085 185 L CA 1.456 56.331 54.840 0.058 0.000 0.755 185 L CB -0.223 41.868 42.059 0.054 0.000 0.904 185 L HN 0.304 nan 8.230 nan 0.000 0.435 186 Q N -0.201 119.640 119.800 0.067 0.000 2.245 186 Q HA -0.037 4.303 4.340 0.000 0.000 0.201 186 Q C 2.089 178.144 176.000 0.092 0.000 0.955 186 Q CA 1.390 57.243 55.803 0.084 0.000 0.870 186 Q CB -0.005 28.794 28.738 0.100 0.000 0.945 186 Q HN 0.398 nan 8.270 nan 0.000 0.461 187 A N 0.377 123.242 122.820 0.075 0.000 1.908 187 A HA -0.168 4.152 4.320 0.000 0.000 0.218 187 A C 2.029 179.650 177.584 0.062 0.000 1.181 187 A CA 1.568 53.642 52.037 0.063 0.000 0.627 187 A CB -0.726 18.305 19.000 0.052 0.000 0.818 187 A HN 0.469 nan 8.150 nan 0.000 0.445 188 I N -0.433 120.170 120.570 0.055 0.000 2.252 188 I HA -0.245 3.925 4.170 0.000 0.000 0.245 188 I C 2.989 179.143 176.117 0.062 0.000 1.102 188 I CA 0.914 62.244 61.300 0.051 0.000 1.385 188 I CB -0.491 37.536 38.000 0.044 0.000 1.064 188 I HN 0.366 nan 8.210 nan 0.000 0.414 189 A N 0.913 123.774 122.820 0.067 0.000 1.841 189 A HA -0.239 4.081 4.320 0.000 0.000 0.216 189 A C 2.407 180.041 177.584 0.082 0.000 1.199 189 A CA 2.764 54.842 52.037 0.069 0.000 0.621 189 A CB -1.336 17.705 19.000 0.068 0.000 0.835 189 A HN 0.377 nan 8.150 nan 0.000 0.445 190 T N 0.480 115.097 114.554 0.105 0.000 2.737 190 T HA -0.102 4.248 4.350 0.000 0.000 0.269 190 T C 2.131 176.878 174.700 0.077 0.000 1.040 190 T CA 1.807 63.974 62.100 0.112 0.000 1.142 190 T CB -0.543 68.403 68.868 0.131 0.000 0.861 190 T HN 0.642 nan 8.240 nan 0.000 0.456 191 A N 1.762 124.639 122.820 0.095 0.000 1.877 191 A HA -0.121 4.199 4.320 0.000 0.000 0.216 191 A C 2.291 179.968 177.584 0.155 0.000 1.186 191 A CA 1.451 53.581 52.037 0.155 0.000 0.620 191 A CB -0.386 18.699 19.000 0.141 0.000 0.822 191 A HN 0.425 nan 8.150 nan 0.000 0.443 192 K N -0.702 119.759 120.400 0.103 0.000 2.148 192 K HA -0.067 4.253 4.320 0.000 0.000 0.204 192 K C 2.249 178.900 176.600 0.085 0.000 1.050 192 K CA 0.953 57.293 56.287 0.088 0.000 0.942 192 K CB -0.159 32.378 32.500 0.062 0.000 0.724 192 K HN 0.400 nan 8.250 nan 0.000 0.446 193 R N 0.864 121.410 120.500 0.077 0.000 2.083 193 R HA -0.069 4.271 4.340 0.000 0.000 0.237 193 R C 1.971 178.311 176.300 0.068 0.000 1.137 193 R CA 1.118 57.257 56.100 0.064 0.000 0.951 193 R CB -0.344 29.994 30.300 0.062 0.000 0.851 193 R HN 0.154 nan 8.270 nan 0.000 0.434 194 L N 0.419 121.688 121.223 0.077 0.000 2.711 194 L HA 0.043 4.383 4.340 0.000 0.000 0.242 194 L C 1.018 177.994 176.870 0.176 0.000 1.153 194 L CA 0.646 55.539 54.840 0.088 0.000 0.898 194 L CB -0.489 41.561 42.059 -0.016 0.000 1.044 194 L HN 0.599 nan 8.230 nan 0.000 0.437 195 G N -0.077 108.808 108.800 0.141 0.000 2.162 195 G HA2 -0.307 3.653 3.960 0.000 0.000 0.260 195 G HA3 -0.307 3.653 3.960 0.000 0.000 0.260 195 G C 0.527 175.508 174.900 0.135 0.000 0.976 195 G CA 0.261 45.436 45.100 0.125 0.000 0.655 195 G HN 0.561 nan 8.290 nan 0.000 0.533 196 A N -0.918 122.013 122.820 0.185 0.000 2.310 196 A HA 0.701 5.021 4.320 0.000 0.000 0.260 196 A C 0.536 178.143 177.584 0.039 0.000 1.112 196 A CA 0.441 52.539 52.037 0.101 0.000 0.804 196 A CB 0.914 19.991 19.000 0.129 0.000 1.081 196 A HN 1.131 nan 8.150 nan 0.000 0.499 197 V N 1.613 121.517 119.914 -0.017 0.000 2.294 197 V HA 0.279 4.399 4.120 0.000 0.000 0.272 197 V C -0.242 175.827 176.094 -0.041 0.000 1.027 197 V CA -0.400 61.887 62.300 -0.021 0.000 0.823 197 V CB 0.750 32.554 31.823 -0.031 0.000 1.030 197 V HN 0.562 nan 8.190 nan 0.000 0.457 198 V N 6.259 126.160 119.914 -0.022 0.000 2.498 198 V HA 0.476 4.596 4.120 0.000 0.000 0.279 198 V C 0.093 176.149 176.094 -0.063 0.000 1.048 198 V CA -0.284 61.993 62.300 -0.039 0.000 0.967 198 V CB 1.317 33.135 31.823 -0.008 0.000 0.988 198 V HN 0.785 nan 8.190 nan 0.000 0.473 199 M N 3.987 123.519 119.600 -0.113 0.000 2.395 199 M HA 0.806 5.286 4.480 0.000 0.000 0.307 199 M C -0.388 175.767 176.300 -0.241 0.000 1.091 199 M CA -0.025 55.176 55.300 -0.165 0.000 0.919 199 M CB 2.012 34.494 32.600 -0.196 0.000 1.662 199 M HN 0.887 nan 8.290 nan 0.000 0.440 200 A N 1.576 124.224 122.820 -0.286 0.000 2.566 200 A HA 0.964 5.284 4.320 0.000 0.000 0.292 200 A C -1.060 176.143 177.584 -0.635 0.000 1.112 200 A CA -0.607 51.207 52.037 -0.370 0.000 0.707 200 A CB 1.942 20.831 19.000 -0.186 0.000 1.302 200 A HN 0.642 nan 8.150 nan 0.000 0.409 201 T N -0.567 113.608 114.554 -0.630 0.000 2.889 201 T HA 0.616 4.966 4.350 0.000 0.000 0.315 201 T C -2.148 172.334 174.700 -0.364 0.000 1.291 201 T CA -0.191 61.435 62.100 -0.789 0.000 1.028 201 T CB 1.689 70.255 68.868 -0.503 0.000 1.235 201 T HN 0.912 nan 8.240 nan 0.000 0.491 202 D N -0.015 120.269 120.400 -0.195 0.000 2.622 202 D HA 0.439 5.080 4.640 0.000 0.000 0.255 202 D C 1.150 177.559 176.300 0.182 0.000 1.246 202 D CA -0.253 53.810 54.000 0.104 0.000 0.795 202 D CB 1.598 42.539 40.800 0.235 0.000 1.369 202 D HN 0.322 nan 8.370 nan 0.000 0.425 203 V N -0.196 119.801 119.914 0.140 0.000 2.379 203 V HA 0.231 4.351 4.120 0.000 0.000 0.243 203 V C 0.865 177.040 176.094 0.134 0.000 1.035 203 V CA 0.690 63.065 62.300 0.125 0.000 1.035 203 V CB -0.576 31.299 31.823 0.086 0.000 0.673 203 V HN 0.348 nan 8.190 nan 0.000 0.457 204 R N 1.304 121.877 120.500 0.122 0.000 2.248 204 R HA 0.545 4.885 4.340 0.000 0.000 0.337 204 R C 1.133 177.493 176.300 0.099 0.000 1.085 204 R CA 0.442 56.598 56.100 0.093 0.000 0.934 204 R CB 0.837 31.181 30.300 0.074 0.000 1.034 204 R HN 0.468 nan 8.270 nan 0.000 0.465 205 A N 3.096 125.948 122.820 0.054 0.000 2.216 205 A HA -0.076 4.244 4.320 0.000 0.000 0.214 205 A C 2.015 179.525 177.584 -0.123 0.000 1.160 205 A CA 1.264 53.275 52.037 -0.043 0.000 0.725 205 A CB -0.144 18.830 19.000 -0.044 0.000 0.784 205 A HN 0.796 nan 8.150 nan 0.000 0.472 206 A N -1.034 121.757 122.820 -0.048 0.000 2.172 206 A HA -0.010 4.310 4.320 0.000 0.000 0.216 206 A C 2.108 179.655 177.584 -0.062 0.000 1.154 206 A CA 1.891 53.897 52.037 -0.052 0.000 0.701 206 A CB -0.810 18.181 19.000 -0.015 0.000 0.789 206 A HN 0.391 nan 8.150 nan 0.000 0.465 207 T N -0.378 114.147 114.554 -0.049 0.000 2.701 207 T HA -0.120 4.230 4.350 0.000 0.000 0.263 207 T C 1.943 176.580 174.700 -0.106 0.000 1.040 207 T CA 1.536 63.642 62.100 0.010 0.000 1.147 207 T CB -0.175 68.811 68.868 0.197 0.000 0.865 207 T HN 0.641 nan 8.240 nan 0.000 0.426 208 K N 0.966 121.047 120.400 -0.531 0.000 2.044 208 K HA -0.256 4.064 4.320 0.000 0.000 0.224 208 K C 1.966 178.406 176.600 -0.267 0.000 1.056 208 K CA 2.105 57.907 56.287 -0.809 0.000 0.962 208 K CB -0.149 31.634 32.500 -1.195 0.000 0.730 208 K HN 0.267 nan 8.250 nan 0.000 0.453 209 E N 0.457 120.534 120.200 -0.204 0.000 2.393 209 E HA -0.229 4.121 4.350 0.000 0.000 0.201 209 E C 1.841 178.414 176.600 -0.046 0.000 1.025 209 E CA 1.275 57.616 56.400 -0.099 0.000 0.856 209 E CB -0.125 29.526 29.700 -0.080 0.000 0.771 209 E HN 0.617 nan 8.360 nan 0.000 0.526 210 Q N -0.039 119.743 119.800 -0.030 0.000 2.304 210 Q HA 0.058 4.398 4.340 0.000 0.000 0.204 210 Q C 2.401 178.426 176.000 0.041 0.000 0.936 210 Q CA 0.330 56.140 55.803 0.012 0.000 0.878 210 Q CB 0.188 28.942 28.738 0.026 0.000 0.983 210 Q HN 0.085 nan 8.270 nan 0.000 0.516 211 V N 2.340 122.300 119.914 0.077 0.000 2.261 211 V HA -0.267 3.853 4.120 0.000 0.000 0.246 211 V C 2.039 178.181 176.094 0.079 0.000 1.047 211 V CA 2.026 64.397 62.300 0.119 0.000 1.015 211 V CB -0.413 31.568 31.823 0.262 0.000 0.642 211 V HN 0.387 nan 8.190 nan 0.000 0.446 212 E N 0.560 120.797 120.200 0.062 0.000 2.204 212 E HA -0.187 4.163 4.350 0.000 0.000 0.195 212 E C 2.185 178.801 176.600 0.026 0.000 0.990 212 E CA 1.582 58.006 56.400 0.039 0.000 0.821 212 E CB -0.345 29.365 29.700 0.017 0.000 0.750 212 E HN 0.764 nan 8.360 nan 0.000 0.477 213 S N 0.567 116.280 115.700 0.021 0.000 2.481 213 S HA 0.008 4.478 4.470 0.000 0.000 0.231 213 S C 1.913 176.527 174.600 0.023 0.000 0.996 213 S CA 0.379 58.589 58.200 0.017 0.000 0.942 213 S CB -0.144 63.062 63.200 0.011 0.000 0.768 213 S HN 0.168 nan 8.310 nan 0.000 0.520 214 L N 0.065 121.307 121.223 0.032 0.000 2.513 214 L HA 0.424 4.764 4.340 0.000 0.000 0.222 214 L C 1.977 178.867 176.870 0.034 0.000 1.096 214 L CA 0.554 55.415 54.840 0.034 0.000 0.857 214 L CB 0.090 42.174 42.059 0.041 0.000 1.026 214 L HN 0.583 nan 8.230 nan 0.000 0.469 215 G N -0.785 108.036 108.800 0.034 0.000 2.421 215 G HA2 -0.166 3.794 3.960 0.000 0.000 0.188 215 G HA3 -0.166 3.794 3.960 0.000 0.000 0.188 215 G C 0.599 175.518 174.900 0.032 0.000 1.001 215 G CA -0.339 44.780 45.100 0.031 0.000 0.693 215 G HN 0.410 nan 8.290 nan 0.000 0.479 216 G N -0.156 108.666 108.800 0.037 0.000 2.553 216 G HA2 0.546 4.506 3.960 0.000 0.000 0.278 216 G HA3 0.546 4.506 3.960 0.000 0.000 0.278 216 G C -0.451 174.477 174.900 0.046 0.000 1.349 216 G CA -0.017 45.102 45.100 0.031 0.000 1.037 216 G HN 0.329 nan 8.290 nan 0.000 0.508 217 K N -1.325 119.097 120.400 0.036 0.000 2.371 217 K HA 0.495 4.815 4.320 0.000 0.000 0.251 217 K C -1.492 175.159 176.600 0.084 0.000 0.934 217 K CA -0.641 55.682 56.287 0.061 0.000 0.798 217 K CB 1.836 34.349 32.500 0.022 0.000 1.204 217 K HN 0.272 nan 8.250 nan 0.000 0.427 218 F N 3.582 123.510 119.950 -0.037 0.000 2.411 218 F HA 0.409 4.936 4.527 0.000 0.000 0.350 218 F C 0.264 176.036 175.800 -0.047 0.000 1.114 218 F CA -0.719 57.255 58.000 -0.042 0.000 1.135 218 F CB 0.498 39.483 39.000 -0.025 0.000 1.120 218 F HN 0.385 nan 8.300 nan 0.000 0.495 219 I N 6.111 126.548 120.570 -0.221 0.000 2.574 219 I HA 0.029 4.199 4.170 0.000 0.000 0.291 219 I C 0.499 176.610 176.117 -0.009 0.000 1.131 219 I CA 0.131 61.349 61.300 -0.136 0.000 1.352 219 I CB -0.594 37.266 38.000 -0.234 0.000 1.431 219 I HN 0.581 nan 8.210 nan 0.000 0.543 220 T N 3.001 117.589 114.554 0.056 0.000 2.919 220 T HA 0.646 4.996 4.350 0.000 0.000 0.282 220 T C 0.201 174.907 174.700 0.010 0.000 1.020 220 T CA -0.868 61.282 62.100 0.083 0.000 0.994 220 T CB 1.875 70.813 68.868 0.117 0.000 1.180 220 T HN 0.300 nan 8.240 nan 0.000 0.566 221 V N -1.140 118.780 119.914 0.011 0.000 3.170 221 V HA 0.581 4.701 4.120 0.000 0.000 0.309 221 V C -0.922 175.172 176.094 0.000 0.000 1.071 221 V CA -0.849 61.420 62.300 -0.052 0.000 1.063 221 V CB 0.579 32.370 31.823 -0.053 0.000 1.123 221 V HN 0.833 nan 8.190 nan 0.000 0.464 222 D N 2.309 122.702 120.400 -0.012 0.000 2.505 222 D HA 0.570 5.210 4.640 0.000 0.000 0.242 222 D C -0.645 175.700 176.300 0.076 0.000 1.136 222 D CA 0.142 54.156 54.000 0.025 0.000 0.954 222 D CB 0.137 40.938 40.800 0.002 0.000 1.002 222 D HN 0.993 nan 8.370 nan 0.000 0.512 243 F N 2.872 122.830 119.950 0.012 0.000 2.558 243 F HA 0.092 4.619 4.527 0.000 0.000 0.298 243 F C 2.338 178.149 175.800 0.018 0.000 1.119 243 F CA 1.390 59.399 58.000 0.015 0.000 1.451 243 F CB -0.009 39.001 39.000 0.017 0.000 1.091 243 F HN 0.098 nan 8.300 nan 0.000 0.563 244 R N 0.895 121.486 120.500 0.151 0.000 2.096 244 R HA -0.199 4.141 4.340 0.000 0.000 0.240 244 R C 1.879 178.188 176.300 0.015 0.000 1.139 244 R CA 1.846 57.992 56.100 0.075 0.000 0.952 244 R CB -0.436 29.905 30.300 0.068 0.000 0.854 244 R HN -0.072 nan 8.270 nan 0.000 0.436 245 K N -0.497 119.906 120.400 0.004 0.000 2.356 245 K HA 0.131 4.451 4.320 0.000 0.000 0.195 245 K C 1.473 178.033 176.600 -0.067 0.000 1.037 245 K CA 0.569 56.843 56.287 -0.022 0.000 1.014 245 K CB 0.339 32.835 32.500 -0.007 0.000 0.815 245 K HN -0.020 nan 8.250 nan 0.000 0.507 246 K N 0.299 120.625 120.400 -0.123 0.000 2.209 246 K HA -0.135 4.185 4.320 0.000 0.000 0.204 246 K C 1.863 178.327 176.600 -0.226 0.000 1.048 246 K CA 1.129 57.291 56.287 -0.210 0.000 0.940 246 K CB 0.010 32.269 32.500 -0.402 0.000 0.729 246 K HN 0.148 nan 8.250 nan 0.000 0.451 247 Q N 0.101 119.777 119.800 -0.206 0.000 1.984 247 Q HA 0.067 4.407 4.340 0.000 0.000 0.196 247 Q C 1.910 177.863 176.000 -0.078 0.000 0.975 247 Q CA 1.907 57.624 55.803 -0.143 0.000 0.827 247 Q CB -0.673 28.009 28.738 -0.094 0.000 0.894 247 Q HN 0.119 nan 8.270 nan 0.000 0.438 248 A N 0.859 123.651 122.820 -0.046 0.000 1.997 248 A HA -0.319 4.001 4.320 0.000 0.000 0.221 248 A C 2.058 179.627 177.584 -0.024 0.000 1.172 248 A CA 2.030 54.056 52.037 -0.019 0.000 0.645 248 A CB -0.976 18.019 19.000 -0.009 0.000 0.813 248 A HN 0.736 nan 8.150 nan 0.000 0.454 249 E N -0.135 120.039 120.200 -0.043 0.000 2.047 249 E HA -0.105 4.245 4.350 0.000 0.000 0.191 249 E C 2.166 178.741 176.600 -0.041 0.000 0.987 249 E CA 1.093 57.469 56.400 -0.041 0.000 0.799 249 E CB -0.343 29.327 29.700 -0.051 0.000 0.752 249 E HN 0.521 nan 8.360 nan 0.000 0.449 250 A N 0.907 123.692 122.820 -0.058 0.000 1.908 250 A HA -0.170 4.150 4.320 0.000 0.000 0.218 250 A C 2.453 180.007 177.584 -0.050 0.000 1.181 250 A CA 1.651 53.654 52.037 -0.058 0.000 0.627 250 A CB -0.917 18.040 19.000 -0.072 0.000 0.818 250 A HN 0.251 nan 8.150 nan 0.000 0.445 251 V N -0.401 119.487 119.914 -0.043 0.000 2.370 251 V HA -0.301 3.819 4.120 0.000 0.000 0.252 251 V C 2.497 178.590 176.094 -0.001 0.000 1.068 251 V CA 2.212 64.496 62.300 -0.026 0.000 1.061 251 V CB -0.827 31.021 31.823 0.041 0.000 0.656 251 V HN 0.617 nan 8.190 nan 0.000 0.455 252 L N 0.259 121.482 121.223 0.001 0.000 2.109 252 L HA -0.103 4.237 4.340 0.000 0.000 0.207 252 L C 2.438 179.298 176.870 -0.016 0.000 1.086 252 L CA 2.073 56.914 54.840 0.001 0.000 0.760 252 L CB -0.705 41.349 42.059 -0.008 0.000 0.910 252 L HN 0.259 nan 8.230 nan 0.000 0.437 253 K N -0.873 119.511 120.400 -0.027 0.000 2.286 253 K HA -0.200 4.120 4.320 0.000 0.000 0.203 253 K C 1.563 178.141 176.600 -0.036 0.000 1.045 253 K CA 1.490 57.758 56.287 -0.031 0.000 0.935 253 K CB 0.080 32.559 32.500 -0.036 0.000 0.737 253 K HN 0.413 nan 8.250 nan 0.000 0.460 254 E N -0.023 120.150 120.200 -0.044 0.000 2.340 254 E HA -0.037 4.313 4.350 0.000 0.000 0.198 254 E C 1.542 178.112 176.600 -0.051 0.000 0.961 254 E CA 0.115 56.479 56.400 -0.060 0.000 0.905 254 E CB 0.199 29.841 29.700 -0.096 0.000 0.884 254 E HN 0.184 nan 8.360 nan 0.000 0.491 255 L N 1.386 122.597 121.223 -0.021 0.000 2.465 255 L HA -0.065 4.275 4.340 0.000 0.000 0.224 255 L C 2.124 178.991 176.870 -0.004 0.000 1.145 255 L CA 0.787 55.633 54.840 0.010 0.000 0.834 255 L CB -0.167 41.936 42.059 0.074 0.000 0.944 255 L HN -0.030 nan 8.230 nan 0.000 0.451 256 V N -4.050 115.855 119.914 -0.014 0.000 2.788 256 V HA -0.023 4.097 4.120 0.000 0.000 0.251 256 V C 2.136 178.220 176.094 -0.018 0.000 1.068 256 V CA 0.918 63.210 62.300 -0.014 0.000 1.090 256 V CB -0.734 31.080 31.823 -0.016 0.000 0.710 256 V HN 0.277 nan 8.190 nan 0.000 0.467 257 K N 0.651 121.034 120.400 -0.027 0.000 2.314 257 K HA 0.188 4.508 4.320 0.000 0.000 0.198 257 K C 0.999 177.572 176.600 -0.046 0.000 1.045 257 K CA 0.475 56.743 56.287 -0.032 0.000 0.988 257 K CB -0.466 32.011 32.500 -0.038 0.000 0.783 257 K HN 0.508 nan 8.250 nan 0.000 0.484 258 T N 2.510 117.030 114.554 -0.056 0.000 2.932 258 T HA 0.003 4.353 4.350 0.000 0.000 0.312 258 T C 0.751 175.390 174.700 -0.101 0.000 1.071 258 T CA 0.410 62.459 62.100 -0.086 0.000 1.128 258 T CB 0.811 69.636 68.868 -0.073 0.000 0.984 258 T HN 0.123 nan 8.240 nan 0.000 0.549 259 D N 0.804 121.090 120.400 -0.190 0.000 2.422 259 D HA 0.234 4.874 4.640 0.000 0.000 0.218 259 D C 0.383 176.403 176.300 -0.466 0.000 1.047 259 D CA 0.537 54.349 54.000 -0.313 0.000 0.885 259 D CB 0.904 41.442 40.800 -0.436 0.000 1.035 259 D HN 0.382 nan 8.370 nan 0.000 0.502 260 I N 0.953 121.304 120.570 -0.364 0.000 2.607 260 I HA 0.382 4.552 4.170 0.000 0.000 0.290 260 I C -1.222 174.828 176.117 -0.111 0.000 1.129 260 I CA -0.819 60.321 61.300 -0.267 0.000 1.042 260 I CB 2.435 40.249 38.000 -0.310 0.000 1.242 260 I HN -0.226 nan 8.210 nan 0.000 0.421 261 A N 7.681 130.491 122.820 -0.017 0.000 2.291 261 A HA 0.762 5.082 4.320 0.000 0.000 0.311 261 A C -0.800 176.857 177.584 0.121 0.000 1.224 261 A CA -0.454 51.652 52.037 0.115 0.000 0.821 261 A CB 0.797 19.929 19.000 0.220 0.000 1.172 261 A HN 0.504 nan 8.150 nan 0.000 0.494 262 I N 3.611 124.267 120.570 0.143 0.000 2.330 262 I HA 0.316 4.486 4.170 0.000 0.000 0.289 262 I C 0.304 176.543 176.117 0.202 0.000 1.001 262 I CA 0.020 61.392 61.300 0.120 0.000 1.193 262 I CB 1.047 39.090 38.000 0.072 0.000 1.345 262 I HN 0.700 nan 8.210 nan 0.000 0.461 263 T N 1.211 115.846 114.554 0.135 0.000 2.794 263 T HA 0.548 4.898 4.350 0.000 0.000 0.280 263 T C 0.599 175.340 174.700 0.068 0.000 0.987 263 T CA -0.555 61.612 62.100 0.112 0.000 0.993 263 T CB 1.598 70.443 68.868 -0.038 0.000 0.939 263 T HN 0.706 nan 8.240 nan 0.000 0.449 264 T N -1.699 112.903 114.554 0.080 0.000 3.262 264 T HA 0.499 4.849 4.350 0.000 0.000 0.300 264 T C 0.713 175.445 174.700 0.053 0.000 0.959 264 T CA -0.113 62.023 62.100 0.059 0.000 0.936 264 T CB -0.129 68.778 68.868 0.066 0.000 1.169 264 T HN 0.962 nan 8.240 nan 0.000 0.532 265 A N 2.146 124.997 122.820 0.052 0.000 2.484 265 A HA 0.646 4.966 4.320 0.000 0.000 0.268 265 A C 0.061 177.662 177.584 0.029 0.000 1.114 265 A CA -0.072 51.992 52.037 0.044 0.000 0.780 265 A CB -0.195 18.829 19.000 0.040 0.000 1.061 265 A HN 0.650 nan 8.150 nan 0.000 0.505 266 L N 2.016 123.260 121.223 0.034 0.000 2.235 266 L HA 0.723 5.063 4.340 0.000 0.000 0.260 266 L C -0.497 176.391 176.870 0.030 0.000 1.025 266 L CA -0.877 53.981 54.840 0.029 0.000 0.836 266 L CB 2.014 44.093 42.059 0.034 0.000 1.395 266 L HN 0.592 nan 8.230 nan 0.000 0.443 267 I N 1.626 122.212 120.570 0.027 0.000 2.627 267 I HA 0.212 4.382 4.170 0.000 0.000 0.288 267 I C -2.323 173.810 176.117 0.027 0.000 1.202 267 I CA -1.365 59.951 61.300 0.027 0.000 1.050 267 I CB 2.646 40.659 38.000 0.022 0.000 1.264 267 I HN 0.396 nan 8.210 nan 0.000 0.429 268 P HA 0.249 nan 4.420 nan 0.000 0.267 268 P C 0.467 177.782 177.300 0.026 0.000 1.209 268 P CA 0.676 63.793 63.100 0.028 0.000 0.763 268 P CB 1.361 33.078 31.700 0.028 0.000 0.816 269 G N 3.819 112.633 108.800 0.025 0.000 3.038 269 G HA2 -0.177 3.783 3.960 0.000 0.000 0.197 269 G HA3 -0.177 3.783 3.960 0.000 0.000 0.197 269 G C 0.362 175.274 174.900 0.021 0.000 1.925 269 G CA 0.319 45.432 45.100 0.023 0.000 1.405 269 G HN 0.604 nan 8.290 nan 0.000 0.524 270 K N 0.085 120.496 120.400 0.018 0.000 3.340 270 K HA 0.411 4.731 4.320 0.000 0.000 0.291 270 K C -2.321 174.286 176.600 0.013 0.000 1.512 270 K CA -0.088 56.208 56.287 0.015 0.000 1.268 270 K CB -0.494 32.014 32.500 0.013 0.000 2.947 270 K HN 0.432 nan 8.250 nan 0.000 0.848 271 P HA 0.258 nan 4.420 nan 0.000 0.278 271 P C -1.170 176.132 177.300 0.004 0.000 1.238 271 P CA -0.188 62.915 63.100 0.004 0.000 0.794 271 P CB 1.259 32.960 31.700 0.001 0.000 0.955 272 A N 4.499 127.319 122.820 -0.001 0.000 2.366 272 A HA 0.512 4.832 4.320 0.000 0.000 0.272 272 A C -1.841 175.736 177.584 -0.012 0.000 1.135 272 A CA -1.398 50.637 52.037 -0.004 0.000 0.804 272 A CB -0.635 18.361 19.000 -0.007 0.000 1.064 272 A HN 0.499 nan 8.150 nan 0.000 0.499 273 P HA 0.130 nan 4.420 nan 0.000 0.270 273 P C -0.575 176.699 177.300 -0.042 0.000 1.227 273 P CA -0.056 63.032 63.100 -0.019 0.000 0.788 273 P CB 0.635 32.330 31.700 -0.009 0.000 0.926 274 V N 2.837 122.720 119.914 -0.051 0.000 2.370 274 V HA 0.126 4.246 4.120 0.000 0.000 0.283 274 V C 1.348 177.373 176.094 -0.115 0.000 1.023 274 V CA -0.102 62.150 62.300 -0.081 0.000 0.857 274 V CB 0.808 32.591 31.823 -0.066 0.000 0.985 274 V HN 0.460 nan 8.190 nan 0.000 0.443 275 L N 5.351 126.456 121.223 -0.197 0.000 2.537 275 L HA 0.448 4.788 4.340 0.000 0.000 0.224 275 L C 0.235 176.864 176.870 -0.402 0.000 1.065 275 L CA 0.589 55.242 54.840 -0.312 0.000 0.860 275 L CB 0.452 42.225 42.059 -0.477 0.000 1.086 275 L HN 0.429 nan 8.230 nan 0.000 0.482 276 I N 1.097 121.459 120.570 -0.346 0.000 2.466 276 I HA 0.135 4.305 4.170 0.000 0.000 0.279 276 I C 0.088 176.111 176.117 -0.156 0.000 1.033 276 I CA -0.391 60.745 61.300 -0.274 0.000 1.123 276 I CB 1.715 39.529 38.000 -0.309 0.000 1.237 276 I HN 0.031 nan 8.210 nan 0.000 0.460 277 T N 0.415 114.898 114.554 -0.118 0.000 2.884 277 T HA 0.083 4.433 4.350 0.000 0.000 0.298 277 T C 1.101 175.753 174.700 -0.080 0.000 0.998 277 T CA -0.478 61.572 62.100 -0.084 0.000 1.124 277 T CB 1.544 70.372 68.868 -0.068 0.000 0.931 277 T HN 0.745 nan 8.240 nan 0.000 0.531 278 E N 1.273 121.436 120.200 -0.062 0.000 2.352 278 E HA -0.303 4.047 4.350 0.000 0.000 0.203 278 E C 1.669 178.192 176.600 -0.127 0.000 1.024 278 E CA 1.520 57.882 56.400 -0.064 0.000 0.842 278 E CB -0.019 29.673 29.700 -0.014 0.000 0.753 278 E HN 0.877 nan 8.360 nan 0.000 0.508 279 E N 0.388 120.527 120.200 -0.102 0.000 2.007 279 E HA -0.236 4.114 4.350 0.000 0.000 0.194 279 E C 2.056 178.578 176.600 -0.130 0.000 0.999 279 E CA 1.801 58.134 56.400 -0.111 0.000 0.811 279 E CB -0.178 29.477 29.700 -0.073 0.000 0.762 279 E HN 0.443 nan 8.360 nan 0.000 0.450 280 M N 0.444 119.986 119.600 -0.097 0.000 2.202 280 M HA -0.166 4.314 4.480 0.000 0.000 0.262 280 M C 2.398 178.644 176.300 -0.089 0.000 1.063 280 M CA 0.983 56.235 55.300 -0.079 0.000 1.097 280 M CB -0.282 32.283 32.600 -0.058 0.000 1.382 280 M HN 0.033 nan 8.290 nan 0.000 0.413 281 V N 0.133 119.983 119.914 -0.108 0.000 2.332 281 V HA -0.269 3.851 4.120 0.000 0.000 0.248 281 V C 2.347 178.362 176.094 -0.133 0.000 1.055 281 V CA 2.369 64.619 62.300 -0.083 0.000 1.038 281 V CB -1.103 30.700 31.823 -0.034 0.000 0.651 281 V HN 0.497 nan 8.190 nan 0.000 0.450 282 T N -0.615 113.747 114.554 -0.320 0.000 2.849 282 T HA -0.179 4.171 4.350 0.000 0.000 0.270 282 T C 1.632 176.251 174.700 -0.134 0.000 1.066 282 T CA 1.238 63.119 62.100 -0.365 0.000 1.130 282 T CB -0.219 68.356 68.868 -0.489 0.000 0.864 282 T HN 0.516 nan 8.240 nan 0.000 0.481 283 K N -0.016 120.325 120.400 -0.100 0.000 2.444 283 K HA 0.255 4.575 4.320 0.000 0.000 0.193 283 K C 0.515 177.098 176.600 -0.028 0.000 1.024 283 K CA 0.019 56.274 56.287 -0.053 0.000 1.077 283 K CB 0.138 32.609 32.500 -0.048 0.000 0.833 283 K HN 0.388 nan 8.250 nan 0.000 0.517 284 M N 0.881 120.468 119.600 -0.021 0.000 2.227 284 M HA 0.133 4.613 4.480 0.000 0.000 0.316 284 M C 0.206 176.512 176.300 0.010 0.000 1.144 284 M CA -0.309 54.990 55.300 -0.003 0.000 1.121 284 M CB 0.713 33.315 32.600 0.003 0.000 1.440 284 M HN -0.203 nan 8.290 nan 0.000 0.473 285 K N 2.311 122.718 120.400 0.013 0.000 2.326 285 K HA 0.205 4.525 4.320 0.000 0.000 0.275 285 K C -2.248 174.374 176.600 0.038 0.000 1.018 285 K CA -1.263 55.038 56.287 0.023 0.000 0.962 285 K CB 0.491 33.005 32.500 0.024 0.000 0.953 285 K HN 0.216 nan 8.250 nan 0.000 0.475 286 P HA 0.049 nan 4.420 nan 0.000 0.271 286 P C 0.209 177.547 177.300 0.063 0.000 1.226 286 P CA 0.392 63.519 63.100 0.045 0.000 0.765 286 P CB 0.991 32.711 31.700 0.032 0.000 0.835 287 G N 2.013 110.857 108.800 0.074 0.000 2.213 287 G HA2 -0.209 3.751 3.960 0.000 0.000 0.226 287 G HA3 -0.209 3.751 3.960 0.000 0.000 0.226 287 G C 0.411 175.414 174.900 0.171 0.000 0.992 287 G CA -0.043 45.128 45.100 0.118 0.000 0.632 287 G HN 0.583 nan 8.290 nan 0.000 0.511 288 S N -0.779 114.981 115.700 0.100 0.000 2.572 288 S HA 0.469 4.939 4.470 0.000 0.000 0.267 288 S C 0.238 174.852 174.600 0.022 0.000 1.361 288 S CA 0.558 58.778 58.200 0.033 0.000 1.009 288 S CB 1.942 65.146 63.200 0.006 0.000 0.888 288 S HN 0.994 nan 8.310 nan 0.000 0.553 289 V N 1.978 121.862 119.914 -0.050 0.000 2.733 289 V HA 0.447 4.567 4.120 0.000 0.000 0.306 289 V C -0.667 175.405 176.094 -0.036 0.000 1.084 289 V CA -0.518 61.768 62.300 -0.023 0.000 0.905 289 V CB 1.724 33.543 31.823 -0.008 0.000 1.010 289 V HN 0.719 nan 8.190 nan 0.000 0.424 290 I N 5.251 125.814 120.570 -0.012 0.000 2.493 290 I HA 0.536 4.706 4.170 0.000 0.000 0.298 290 I C -0.938 175.176 176.117 -0.005 0.000 0.998 290 I CA -0.738 60.558 61.300 -0.006 0.000 1.137 290 I CB 1.993 39.983 38.000 -0.016 0.000 1.310 290 I HN 0.307 nan 8.210 nan 0.000 0.445 291 I N 4.398 124.973 120.570 0.009 0.000 2.448 291 I HA 0.245 4.415 4.170 0.000 0.000 0.281 291 I C -0.741 175.382 176.117 0.010 0.000 1.027 291 I CA -0.323 60.984 61.300 0.012 0.000 1.111 291 I CB 1.248 39.267 38.000 0.033 0.000 1.236 291 I HN 0.471 nan 8.210 nan 0.000 0.452 292 D N 6.521 126.915 120.400 -0.010 0.000 2.347 292 D HA 0.306 4.946 4.640 0.000 0.000 0.235 292 D C 0.973 177.273 176.300 0.001 0.000 1.149 292 D CA -0.168 53.823 54.000 -0.015 0.000 0.850 292 D CB 1.745 42.525 40.800 -0.035 0.000 1.061 292 D HN 0.414 nan 8.370 nan 0.000 0.487 293 L N 2.206 123.437 121.223 0.013 0.000 2.307 293 L HA 0.090 4.430 4.340 0.000 0.000 0.211 293 L C 1.988 178.867 176.870 0.015 0.000 1.099 293 L CA 0.303 55.156 54.840 0.022 0.000 0.816 293 L CB 0.086 42.165 42.059 0.033 0.000 0.952 293 L HN 0.356 nan 8.230 nan 0.000 0.455 294 A N -0.570 122.254 122.820 0.007 0.000 2.259 294 A HA -0.002 4.318 4.320 0.000 0.000 0.208 294 A C 2.127 179.708 177.584 -0.005 0.000 1.201 294 A CA 0.282 52.321 52.037 0.003 0.000 0.824 294 A CB -0.407 18.592 19.000 -0.001 0.000 0.838 294 A HN 0.148 nan 8.150 nan 0.000 0.485 295 V N 0.603 120.513 119.914 -0.008 0.000 2.313 295 V HA -0.309 3.811 4.120 0.000 0.000 0.253 295 V C 1.739 177.827 176.094 -0.009 0.000 1.070 295 V CA 2.683 64.975 62.300 -0.014 0.000 1.057 295 V CB -0.412 31.402 31.823 -0.015 0.000 0.653 295 V HN 0.751 nan 8.190 nan 0.000 0.450 296 E N -0.494 119.704 120.200 -0.004 0.000 2.382 296 E HA 0.275 4.625 4.350 0.000 0.000 0.190 296 E C 0.756 177.357 176.600 0.001 0.000 1.125 296 E CA 0.440 56.838 56.400 -0.003 0.000 0.929 296 E CB -0.026 29.671 29.700 -0.005 0.000 1.053 296 E HN 0.646 nan 8.360 nan 0.000 0.475 297 A N -0.592 122.228 122.820 -0.001 0.000 2.524 297 A HA 0.500 4.820 4.320 0.000 0.000 0.267 297 A C 1.093 178.674 177.584 -0.005 0.000 0.881 297 A CA 0.087 52.125 52.037 0.002 0.000 1.077 297 A CB 0.090 19.094 19.000 0.007 0.000 1.220 297 A HN 0.245 nan 8.150 nan 0.000 0.488 298 G N -0.805 107.990 108.800 -0.010 0.000 2.268 298 G HA2 0.244 4.204 3.960 0.000 0.000 0.240 298 G HA3 0.244 4.204 3.960 0.000 0.000 0.240 298 G C 1.624 176.510 174.900 -0.024 0.000 1.010 298 G CA 0.663 45.754 45.100 -0.015 0.000 0.618 298 G HN 2.632 nan 8.290 nan 0.000 0.516 299 G N -0.546 108.240 108.800 -0.024 0.000 2.731 299 G HA2 0.049 4.009 3.960 0.000 0.000 0.686 299 G HA3 0.049 4.009 3.960 0.000 0.000 0.686 299 G C 0.095 174.964 174.900 -0.051 0.000 1.395 299 G CA 0.404 45.483 45.100 -0.034 0.000 0.870 299 G HN 1.243 nan 8.290 nan 0.000 0.591 300 N N -0.982 117.676 118.700 -0.070 0.000 2.571 300 N HA 0.226 4.966 4.740 0.000 0.000 0.189 300 N C 0.409 175.835 175.510 -0.141 0.000 1.154 300 N CA 1.155 54.140 53.050 -0.109 0.000 0.907 300 N CB 0.402 38.803 38.487 -0.143 0.000 0.977 300 N HN 0.808 nan 8.380 nan 0.000 0.449 301 C N 0.819 120.056 119.300 -0.106 0.000 2.505 301 C HA 0.320 4.780 4.460 0.000 0.000 0.342 301 C C -1.496 173.457 174.990 -0.063 0.000 1.121 301 C CA -1.904 57.054 59.018 -0.100 0.000 1.306 301 C CB 1.141 28.816 27.740 -0.108 0.000 1.897 301 C HN 0.207 nan 8.230 nan 0.000 0.446 302 P HA -0.162 nan 4.420 nan 0.000 0.217 302 P C 1.057 178.342 177.300 -0.024 0.000 1.148 302 P CA 1.550 64.630 63.100 -0.033 0.000 0.834 302 P CB 0.180 31.863 31.700 -0.028 0.000 0.783 303 L N 0.473 121.684 121.223 -0.020 0.000 2.610 303 L HA 0.016 4.356 4.340 0.000 0.000 0.232 303 L C 2.119 178.975 176.870 -0.023 0.000 1.149 303 L CA 1.066 55.898 54.840 -0.012 0.000 0.872 303 L CB -1.350 40.713 42.059 0.006 0.000 0.992 303 L HN 0.011 nan 8.230 nan 0.000 0.447 304 S N -1.217 114.464 115.700 -0.032 0.000 2.889 304 S HA -0.066 4.404 4.470 0.000 0.000 0.235 304 S C 0.543 175.120 174.600 -0.038 0.000 0.978 304 S CA -0.299 57.877 58.200 -0.039 0.000 1.010 304 S CB -1.097 62.077 63.200 -0.042 0.000 0.799 304 S HN 0.414 nan 8.310 nan 0.000 0.534 305 E N 3.418 123.599 120.200 -0.032 0.000 3.655 305 E HA -0.116 4.234 4.350 0.000 0.000 0.282 305 E C -2.172 174.407 176.600 -0.034 0.000 0.811 305 E CA 0.116 56.498 56.400 -0.029 0.000 0.985 305 E CB 0.131 29.815 29.700 -0.027 0.000 0.926 305 E HN 0.459 nan 8.360 nan 0.000 0.560 306 P HA 0.011 nan 4.420 nan 0.000 0.271 306 P C 0.430 177.722 177.300 -0.013 0.000 1.226 306 P CA 0.400 63.488 63.100 -0.020 0.000 0.765 306 P CB 0.843 32.536 31.700 -0.012 0.000 0.835 307 G N 2.578 111.372 108.800 -0.009 0.000 2.142 307 G HA2 -0.184 3.776 3.960 0.000 0.000 0.225 307 G HA3 -0.184 3.776 3.960 0.000 0.000 0.225 307 G C -0.252 174.650 174.900 0.004 0.000 1.015 307 G CA 0.194 45.307 45.100 0.022 0.000 0.716 307 G HN 0.837 nan 8.290 nan 0.000 0.508 308 K N -1.427 118.934 120.400 -0.064 0.000 2.610 308 K HA 0.668 4.988 4.320 0.000 0.000 0.278 308 K C -0.872 175.652 176.600 -0.127 0.000 0.964 308 K CA -1.355 54.890 56.287 -0.071 0.000 0.859 308 K CB 1.089 33.570 32.500 -0.031 0.000 1.434 308 K HN 0.056 nan 8.250 nan 0.000 0.410 309 I N 1.245 121.751 120.570 -0.107 0.000 2.612 309 I HA 0.338 4.508 4.170 0.000 0.000 0.295 309 I C -0.512 175.574 176.117 -0.052 0.000 1.011 309 I CA -0.485 60.759 61.300 -0.094 0.000 1.326 309 I CB 1.675 39.647 38.000 -0.047 0.000 1.427 309 I HN 0.393 nan 8.210 nan 0.000 0.537 310 V N 5.617 125.505 119.914 -0.044 0.000 2.668 310 V HA 0.398 4.518 4.120 0.000 0.000 0.304 310 V C -0.679 175.399 176.094 -0.026 0.000 1.071 310 V CA -0.713 61.567 62.300 -0.033 0.000 0.894 310 V CB 2.166 33.968 31.823 -0.034 0.000 1.008 310 V HN 0.380 nan 8.190 nan 0.000 0.425 311 V N 5.322 125.219 119.914 -0.027 0.000 2.398 311 V HA 0.729 4.849 4.120 0.000 0.000 0.286 311 V C -0.196 175.864 176.094 -0.056 0.000 1.026 311 V CA -0.642 61.642 62.300 -0.027 0.000 0.868 311 V CB 1.643 33.453 31.823 -0.021 0.000 0.982 311 V HN 0.744 nan 8.190 nan 0.000 0.443 312 K N 2.558 122.922 120.400 -0.060 0.000 2.557 312 K HA 0.412 4.732 4.320 0.000 0.000 0.261 312 K C -0.308 176.224 176.600 -0.114 0.000 0.932 312 K CA -0.765 55.416 56.287 -0.177 0.000 0.829 312 K CB 1.452 33.840 32.500 -0.187 0.000 1.358 312 K HN 0.801 nan 8.250 nan 0.000 0.430 313 H N 0.147 119.212 119.070 -0.008 0.000 2.791 313 H HA -0.188 4.368 4.556 0.000 0.000 0.302 313 H C 0.688 176.014 175.328 -0.003 0.000 1.198 313 H CA 1.233 57.277 56.048 -0.006 0.000 1.145 313 H CB -1.451 28.305 29.762 -0.009 0.000 1.385 313 H HN 1.087 nan 8.280 nan 0.000 0.409 314 G N -0.690 108.134 108.800 0.039 0.000 2.305 314 G HA2 -0.187 3.773 3.960 0.000 0.000 0.287 314 G HA3 -0.187 3.773 3.960 0.000 0.000 0.287 314 G C 0.117 175.046 174.900 0.048 0.000 1.036 314 G CA 0.491 45.612 45.100 0.035 0.000 0.887 314 G HN 0.567 nan 8.290 nan 0.000 0.505 315 V N -0.883 119.059 119.914 0.048 0.000 2.841 315 V HA 0.504 4.624 4.120 0.000 0.000 0.310 315 V C 0.160 176.272 176.094 0.030 0.000 1.090 315 V CA -1.357 60.972 62.300 0.047 0.000 0.930 315 V CB 2.180 34.037 31.823 0.057 0.000 1.014 315 V HN 0.272 nan 8.190 nan 0.000 0.425 316 K N 4.005 124.423 120.400 0.030 0.000 2.248 316 K HA 0.530 4.850 4.320 0.000 0.000 0.281 316 K C -0.995 175.608 176.600 0.004 0.000 1.054 316 K CA -0.541 55.757 56.287 0.018 0.000 0.903 316 K CB 1.145 33.666 32.500 0.034 0.000 1.077 316 K HN 0.411 nan 8.250 nan 0.000 0.474 317 I N 4.842 125.405 120.570 -0.012 0.000 2.377 317 I HA 0.101 4.271 4.170 0.000 0.000 0.282 317 I C -0.095 175.988 176.117 -0.056 0.000 1.091 317 I CA -0.673 60.611 61.300 -0.027 0.000 1.207 317 I CB 0.561 38.546 38.000 -0.025 0.000 1.429 317 I HN 0.216 nan 8.210 nan 0.000 0.491 318 V N 4.781 124.656 119.914 -0.064 0.000 2.405 318 V HA 0.453 4.573 4.120 0.000 0.000 0.264 318 V C 1.066 177.067 176.094 -0.156 0.000 1.048 318 V CA -0.281 61.938 62.300 -0.135 0.000 0.966 318 V CB 0.796 32.568 31.823 -0.086 0.000 1.015 318 V HN 0.861 nan 8.190 nan 0.000 0.477 319 G N 3.957 112.631 108.800 -0.211 0.000 4.519 319 G HA2 0.326 4.286 3.960 0.000 0.000 0.336 319 G HA3 0.326 4.286 3.960 0.000 0.000 0.336 319 G C -0.099 174.720 174.900 -0.134 0.000 1.491 319 G CA -0.462 44.559 45.100 -0.132 0.000 1.008 319 G HN 0.648 nan 8.290 nan 0.000 0.515 320 H N 0.887 119.954 119.070 -0.004 0.000 2.745 320 H HA 0.267 4.823 4.556 0.000 0.000 0.373 320 H C 0.792 176.109 175.328 -0.018 0.000 1.226 320 H CA 0.709 56.751 56.048 -0.011 0.000 1.435 320 H CB 1.309 31.062 29.762 -0.015 0.000 1.461 320 H HN 0.460 nan 8.280 nan 0.000 0.616 321 T N -0.797 113.835 114.554 0.129 0.000 2.859 321 T HA 0.203 4.553 4.350 0.000 0.000 0.281 321 T C 0.326 175.033 174.700 0.012 0.000 1.005 321 T CA -1.056 61.071 62.100 0.045 0.000 1.025 321 T CB 1.117 69.998 68.868 0.022 0.000 0.977 321 T HN 0.671 nan 8.240 nan 0.000 0.458 322 N N 1.528 120.219 118.700 -0.015 0.000 2.681 322 N HA -0.166 4.574 4.740 0.000 0.000 0.259 322 N C 0.636 176.123 175.510 -0.039 0.000 1.066 322 N CA 0.764 53.785 53.050 -0.048 0.000 0.717 322 N CB -1.558 36.887 38.487 -0.070 0.000 0.885 322 N HN 0.591 nan 8.380 nan 0.000 0.547 323 V N 0.771 120.676 119.914 -0.015 0.000 2.380 323 V HA -0.176 3.944 4.120 0.000 0.000 0.251 323 V C -0.385 175.695 176.094 -0.024 0.000 1.063 323 V CA 2.149 64.444 62.300 -0.008 0.000 1.055 323 V CB -1.090 30.744 31.823 0.018 0.000 0.657 323 V HN 0.442 nan 8.190 nan 0.000 0.455 324 P HA -0.162 nan 4.420 nan 0.000 0.217 324 P C 2.118 179.385 177.300 -0.055 0.000 1.148 324 P CA 1.956 65.037 63.100 -0.032 0.000 0.828 324 P CB -0.086 31.588 31.700 -0.044 0.000 0.783 325 S N -0.918 114.735 115.700 -0.078 0.000 2.402 325 S HA -0.123 4.347 4.470 0.000 0.000 0.229 325 S C 1.717 176.272 174.600 -0.075 0.000 1.021 325 S CA 0.875 59.022 58.200 -0.087 0.000 0.974 325 S CB -0.568 62.575 63.200 -0.095 0.000 0.800 325 S HN 0.081 nan 8.310 nan 0.000 0.484 326 R N 0.117 120.572 120.500 -0.075 0.000 2.341 326 R HA 0.014 4.354 4.340 0.000 0.000 0.213 326 R C 0.537 176.808 176.300 -0.049 0.000 1.082 326 R CA 0.786 56.833 56.100 -0.087 0.000 1.017 326 R CB -0.033 30.200 30.300 -0.112 0.000 0.860 326 R HN 0.295 nan 8.270 nan 0.000 0.473 327 V N -0.590 119.309 119.914 -0.026 0.000 2.991 327 V HA 0.216 4.336 4.120 0.000 0.000 0.355 327 V C 1.393 177.475 176.094 -0.021 0.000 1.384 327 V CA 0.232 62.532 62.300 0.001 0.000 1.171 327 V CB 0.486 32.334 31.823 0.041 0.000 1.190 327 V HN 0.230 nan 8.190 nan 0.000 0.540 328 A N 2.102 124.898 122.820 -0.040 0.000 1.906 328 A HA -0.371 3.949 4.320 0.000 0.000 0.236 328 A C 2.500 180.062 177.584 -0.035 0.000 1.793 328 A CA 3.391 55.399 52.037 -0.049 0.000 0.813 328 A CB -1.319 17.650 19.000 -0.052 0.000 0.841 328 A HN 1.083 nan 8.150 nan 0.000 0.491 329 A N -1.523 121.280 122.820 -0.029 0.000 1.985 329 A HA -0.333 3.987 4.320 0.000 0.000 0.223 329 A C 1.787 179.360 177.584 -0.019 0.000 1.189 329 A CA 2.883 54.907 52.037 -0.022 0.000 0.658 329 A CB -0.889 18.099 19.000 -0.021 0.000 0.820 329 A HN 0.653 nan 8.150 nan 0.000 0.464 330 D N -1.452 118.935 120.400 -0.022 0.000 2.197 330 D HA 0.247 4.887 4.640 0.000 0.000 0.212 330 D C 2.354 178.647 176.300 -0.011 0.000 0.963 330 D CA 1.271 55.256 54.000 -0.025 0.000 0.864 330 D CB -0.362 40.410 40.800 -0.046 0.000 1.009 330 D HN 0.358 nan 8.370 nan 0.000 0.479 331 A N 0.414 123.230 122.820 -0.007 0.000 1.851 331 A HA -0.186 4.134 4.320 0.000 0.000 0.216 331 A C 2.311 179.914 177.584 0.032 0.000 1.195 331 A CA 2.203 54.247 52.037 0.012 0.000 0.622 331 A CB -0.945 18.050 19.000 -0.008 0.000 0.831 331 A HN 0.178 nan 8.150 nan 0.000 0.444 332 S N 0.659 116.358 115.700 -0.002 0.000 2.401 332 S HA -0.175 4.295 4.470 0.000 0.000 0.236 332 S C -0.086 174.553 174.600 0.066 0.000 1.058 332 S CA 2.199 60.407 58.200 0.014 0.000 1.151 332 S CB -1.641 61.551 63.200 -0.012 0.000 1.049 332 S HN 0.476 nan 8.310 nan 0.000 0.432 333 P HA -0.095 nan 4.420 nan 0.000 0.217 333 P C 1.166 178.491 177.300 0.042 0.000 1.148 333 P CA 1.041 64.165 63.100 0.040 0.000 0.834 333 P CB -0.117 31.596 31.700 0.020 0.000 0.783 334 L N -3.785 117.468 121.223 0.049 0.000 2.270 334 L HA -0.007 4.333 4.340 0.000 0.000 0.210 334 L C 2.212 179.112 176.870 0.049 0.000 1.104 334 L CA 0.646 55.509 54.840 0.037 0.000 0.804 334 L CB -0.583 41.497 42.059 0.036 0.000 0.937 334 L HN -0.079 nan 8.230 nan 0.000 0.450 335 F N 0.970 120.871 119.950 -0.082 0.000 2.206 335 F HA -0.078 4.449 4.527 0.000 0.000 0.298 335 F C 2.432 178.114 175.800 -0.196 0.000 1.090 335 F CA 1.117 59.043 58.000 -0.124 0.000 1.323 335 F CB -0.009 38.927 39.000 -0.107 0.000 1.028 335 F HN -0.027 nan 8.300 nan 0.000 0.492 336 A N -0.669 122.182 122.820 0.051 0.000 2.119 336 A HA -0.100 4.220 4.320 0.000 0.000 0.217 336 A C 2.121 179.637 177.584 -0.114 0.000 1.153 336 A CA 1.086 53.082 52.037 -0.068 0.000 0.692 336 A CB -0.505 18.547 19.000 0.087 0.000 0.799 336 A HN 0.362 nan 8.150 nan 0.000 0.458 337 K N -0.560 119.796 120.400 -0.072 0.000 2.361 337 K HA 0.026 4.346 4.320 0.000 0.000 0.196 337 K C 1.087 177.624 176.600 -0.105 0.000 1.039 337 K CA 0.279 56.538 56.287 -0.047 0.000 1.001 337 K CB 0.034 32.526 32.500 -0.013 0.000 0.795 337 K HN 0.375 nan 8.250 nan 0.000 0.495 338 N N 1.206 119.782 118.700 -0.206 0.000 2.148 338 N HA -0.058 4.682 4.740 0.000 0.000 0.186 338 N C 1.872 177.204 175.510 -0.297 0.000 1.031 338 N CA 0.836 53.740 53.050 -0.243 0.000 0.848 338 N CB -0.242 38.032 38.487 -0.354 0.000 1.005 338 N HN 0.063 nan 8.380 nan 0.000 0.427 339 L N 0.700 121.584 121.223 -0.567 0.000 2.021 339 L HA -0.200 4.140 4.340 0.000 0.000 0.215 339 L C 2.338 179.067 176.870 -0.235 0.000 1.074 339 L CA 0.960 55.367 54.840 -0.723 0.000 0.760 339 L CB -0.588 40.409 42.059 -1.771 0.000 0.889 339 L HN 0.149 nan 8.230 nan 0.000 0.433 340 L N 0.553 121.708 121.223 -0.114 0.000 2.012 340 L HA -0.209 4.131 4.340 0.000 0.000 0.210 340 L C 2.139 179.099 176.870 0.149 0.000 1.073 340 L CA 1.815 56.808 54.840 0.255 0.000 0.748 340 L CB -0.803 41.394 42.059 0.229 0.000 0.891 340 L HN 0.290 nan 8.230 nan 0.000 0.431 341 N N -1.340 117.395 118.700 0.058 0.000 2.573 341 N HA -0.172 4.568 4.740 0.000 0.000 0.187 341 N C 1.467 177.011 175.510 0.057 0.000 1.107 341 N CA 1.042 54.114 53.050 0.036 0.000 0.918 341 N CB -0.254 38.237 38.487 0.007 0.000 0.966 341 N HN 0.536 nan 8.380 nan 0.000 0.448 342 F N -0.061 119.851 119.950 -0.062 0.000 2.602 342 F HA 0.289 4.816 4.527 0.000 0.000 0.284 342 F C 1.721 177.512 175.800 -0.014 0.000 1.111 342 F CA -0.135 57.829 58.000 -0.060 0.000 1.405 342 F CB 0.178 39.126 39.000 -0.088 0.000 1.121 342 F HN -0.085 nan 8.300 nan 0.000 0.603 343 L N -0.644 120.737 121.223 0.263 0.000 2.477 343 L HA 0.082 4.422 4.340 0.000 0.000 0.220 343 L C 1.824 178.749 176.870 0.091 0.000 1.106 343 L CA 0.818 55.808 54.840 0.250 0.000 0.851 343 L CB -0.432 41.934 42.059 0.512 0.000 0.994 343 L HN 0.057 nan 8.230 nan 0.000 0.462 344 T N 1.087 115.671 114.554 0.049 0.000 2.746 344 T HA -0.067 4.283 4.350 0.000 0.000 0.267 344 T C -0.651 173.981 174.700 -0.113 0.000 1.039 344 T CA 1.663 63.775 62.100 0.020 0.000 1.142 344 T CB -0.692 68.194 68.868 0.029 0.000 0.866 344 T HN 0.316 nan 8.240 nan 0.000 0.444 345 P HA -0.106 nan 4.420 nan 0.000 0.213 345 P C 0.751 177.852 177.300 -0.331 0.000 1.170 345 P CA 1.075 63.937 63.100 -0.397 0.000 0.902 345 P CB -0.185 31.110 31.700 -0.674 0.000 0.789 346 H N -1.208 117.795 119.070 -0.111 0.000 2.711 346 H HA 0.120 4.676 4.556 0.000 0.000 0.288 346 H C -0.077 175.231 175.328 -0.033 0.000 1.102 346 H CA 0.264 56.262 56.048 -0.083 0.000 1.212 346 H CB -1.306 28.380 29.762 -0.126 0.000 1.282 346 H HN 0.027 nan 8.280 nan 0.000 0.642 347 V N 2.148 122.075 119.914 0.022 0.000 2.376 347 V HA 0.024 4.144 4.120 0.000 0.000 0.287 347 V C 0.115 176.190 176.094 -0.031 0.000 1.015 347 V CA -1.235 61.064 62.300 -0.002 0.000 0.834 347 V CB 1.725 33.555 31.823 0.012 0.000 1.001 347 V HN 0.372 nan 8.190 nan 0.000 0.428 348 D N 5.250 125.626 120.400 -0.040 0.000 2.443 348 D HA 0.093 4.733 4.640 0.000 0.000 0.239 348 D C 1.027 177.294 176.300 -0.055 0.000 1.136 348 D CA -0.158 53.818 54.000 -0.040 0.000 0.879 348 D CB 1.126 41.902 40.800 -0.040 0.000 1.195 348 D HN 0.217 nan 8.370 nan 0.000 0.443 349 K N 2.884 123.259 120.400 -0.043 0.000 1.991 349 K HA -0.073 4.247 4.320 0.000 0.000 0.207 349 K C 1.341 177.911 176.600 -0.050 0.000 1.045 349 K CA 1.414 57.675 56.287 -0.043 0.000 0.937 349 K CB -0.481 32.001 32.500 -0.029 0.000 0.720 349 K HN 0.563 nan 8.250 nan 0.000 0.438 350 D N 0.004 120.380 120.400 -0.041 0.000 2.194 350 D HA -0.044 4.596 4.640 0.000 0.000 0.204 350 D C 1.058 177.329 176.300 -0.048 0.000 0.964 350 D CA 0.989 54.965 54.000 -0.040 0.000 0.846 350 D CB 0.038 40.820 40.800 -0.029 0.000 0.962 350 D HN 0.158 nan 8.370 nan 0.000 0.490 351 T N 0.521 115.045 114.554 -0.051 0.000 3.194 351 T HA 0.026 4.376 4.350 0.000 0.000 0.251 351 T C 0.180 174.832 174.700 -0.081 0.000 1.132 351 T CA -0.127 61.940 62.100 -0.054 0.000 1.028 351 T CB -0.211 68.631 68.868 -0.044 0.000 0.976 351 T HN 0.070 nan 8.240 nan 0.000 0.535 352 K N 2.038 122.377 120.400 -0.102 0.000 3.903 352 K HA -0.161 4.159 4.320 0.000 0.000 0.275 352 K C 0.102 176.583 176.600 -0.199 0.000 0.825 352 K CA 0.467 56.655 56.287 -0.164 0.000 0.684 352 K CB -1.497 30.913 32.500 -0.151 0.000 1.707 352 K HN 0.372 nan 8.250 nan 0.000 0.435 353 T N -0.153 114.298 114.554 -0.171 0.000 2.883 353 T HA 0.658 5.008 4.350 0.000 0.000 0.301 353 T C -1.557 173.072 174.700 -0.118 0.000 1.158 353 T CA -1.050 60.962 62.100 -0.146 0.000 1.007 353 T CB 1.190 70.009 68.868 -0.081 0.000 1.186 353 T HN 0.327 nan 8.240 nan 0.000 0.499 354 L N 3.558 124.736 121.223 -0.075 0.000 2.333 354 L HA 0.985 5.325 4.340 0.000 0.000 0.269 354 L C -1.422 175.466 176.870 0.030 0.000 1.010 354 L CA -0.769 54.070 54.840 -0.002 0.000 0.818 354 L CB 1.920 44.015 42.059 0.060 0.000 1.306 354 L HN 0.513 nan 8.230 nan 0.000 0.430 355 V N 5.198 125.143 119.914 0.050 0.000 2.663 355 V HA 0.334 4.454 4.120 0.000 0.000 0.286 355 V C -0.811 175.282 176.094 -0.002 0.000 1.085 355 V CA -0.416 61.904 62.300 0.033 0.000 0.916 355 V CB 1.805 33.640 31.823 0.020 0.000 1.039 355 V HN 0.877 nan 8.190 nan 0.000 0.453 356 M N 6.173 125.743 119.600 -0.050 0.000 2.429 356 M HA 0.360 4.840 4.480 0.000 0.000 0.334 356 M C 1.073 177.257 176.300 -0.192 0.000 1.560 356 M CA 0.274 55.416 55.300 -0.263 0.000 1.291 356 M CB 0.373 32.892 32.600 -0.136 0.000 1.754 356 M HN 0.726 nan 8.290 nan 0.000 0.456 357 K N 2.572 122.820 120.400 -0.252 0.000 2.032 357 K HA -0.268 4.052 4.320 0.000 0.000 0.225 357 K C 0.749 177.321 176.600 -0.046 0.000 0.881 357 K CA 2.523 58.748 56.287 -0.103 0.000 1.002 357 K CB -0.436 32.059 32.500 -0.009 0.000 0.748 357 K HN 0.722 nan 8.250 nan 0.000 0.569 358 L N -4.062 117.141 121.223 -0.033 0.000 1.893 358 L HA -0.203 4.137 4.340 0.000 0.000 0.497 358 L C 1.175 178.057 176.870 0.021 0.000 0.726 358 L CA 2.079 56.925 54.840 0.009 0.000 3.089 358 L CB -1.512 40.556 42.059 0.015 0.000 0.782 358 L HN 0.354 nan 8.230 nan 0.000 0.733 359 E N 0.134 120.344 120.200 0.016 0.000 2.358 359 E HA 0.034 4.384 4.350 0.000 0.000 0.195 359 E C 0.638 177.255 176.600 0.029 0.000 1.010 359 E CA 0.668 57.080 56.400 0.021 0.000 0.856 359 E CB -0.108 29.602 29.700 0.017 0.000 0.795 359 E HN 0.456 nan 8.360 nan 0.000 0.504 360 D N 1.472 121.891 120.400 0.033 0.000 2.342 360 D HA -0.059 4.581 4.640 0.000 0.000 0.260 360 D C 0.826 177.163 176.300 0.062 0.000 1.278 360 D CA 0.120 54.150 54.000 0.050 0.000 0.910 360 D CB 0.529 41.377 40.800 0.081 0.000 1.079 360 D HN 0.137 nan 8.370 nan 0.000 0.496 361 E N 2.175 122.411 120.200 0.060 0.000 2.208 361 E HA -0.274 4.076 4.350 0.000 0.000 0.202 361 E C 1.152 177.818 176.600 0.109 0.000 1.014 361 E CA 1.399 57.842 56.400 0.072 0.000 0.819 361 E CB 0.324 30.058 29.700 0.057 0.000 0.735 361 E HN 0.454 nan 8.360 nan 0.000 0.469 362 T N -0.645 113.981 114.554 0.121 0.000 2.701 362 T HA -0.097 4.253 4.350 0.000 0.000 0.263 362 T C 1.627 176.509 174.700 0.304 0.000 1.040 362 T CA 1.385 63.606 62.100 0.203 0.000 1.147 362 T CB 0.011 68.967 68.868 0.147 0.000 0.865 362 T HN 0.060 nan 8.240 nan 0.000 0.426 363 V N 1.302 121.330 119.914 0.190 0.000 3.217 363 V HA -0.029 4.091 4.120 0.000 0.000 0.264 363 V C 2.409 178.674 176.094 0.285 0.000 1.135 363 V CA 1.405 63.862 62.300 0.263 0.000 1.142 363 V CB -0.399 31.439 31.823 0.026 0.000 0.754 363 V HN 0.471 nan 8.190 nan 0.000 0.484 364 S N 1.615 117.430 115.700 0.192 0.000 2.317 364 S HA -0.020 4.450 4.470 0.000 0.000 0.212 364 S C 1.972 176.683 174.600 0.186 0.000 1.030 364 S CA 1.411 59.702 58.200 0.152 0.000 0.970 364 S CB -0.530 62.727 63.200 0.095 0.000 0.928 364 S HN 0.507 nan 8.310 nan 0.000 0.451 365 G N -0.463 108.446 108.800 0.182 0.000 2.848 365 G HA2 0.104 4.064 3.960 0.000 0.000 0.208 365 G HA3 0.104 4.064 3.960 0.000 0.000 0.208 365 G C 1.179 176.219 174.900 0.235 0.000 1.152 365 G CA 0.919 46.153 45.100 0.225 0.000 0.789 365 G HN 0.556 nan 8.290 nan 0.000 0.531 366 T N -0.804 113.878 114.554 0.214 0.000 3.038 366 T HA 0.054 4.404 4.350 0.000 0.000 0.244 366 T C 1.307 176.064 174.700 0.096 0.000 1.016 366 T CA -0.075 62.103 62.100 0.131 0.000 1.098 366 T CB -0.175 68.797 68.868 0.173 0.000 0.954 366 T HN 0.188 nan 8.240 nan 0.000 0.469 367 C N 2.982 122.398 119.300 0.193 0.000 2.633 367 C HA 0.302 4.762 4.460 0.000 0.000 0.415 367 C C 1.838 176.808 174.990 -0.032 0.000 1.393 367 C CA -0.286 58.705 59.018 -0.044 0.000 1.700 367 C CB -0.630 27.046 27.740 -0.107 0.000 2.541 367 C HN 0.373 nan 8.230 nan 0.000 0.603 368 V N 4.676 124.500 119.914 -0.151 0.000 3.621 368 V HA 0.260 4.380 4.120 0.000 0.000 0.263 368 V C 0.902 176.966 176.094 -0.049 0.000 1.272 368 V CA 0.910 63.146 62.300 -0.108 0.000 1.080 368 V CB 0.047 31.762 31.823 -0.180 0.000 0.816 368 V HN 0.962 nan 8.190 nan 0.000 0.451 369 T N 1.272 115.762 114.554 -0.107 0.000 3.289 369 T HA 0.488 4.838 4.350 0.000 0.000 0.370 369 T C -1.668 172.958 174.700 -0.124 0.000 1.546 369 T CA -0.697 61.355 62.100 -0.080 0.000 1.144 369 T CB 1.330 70.164 68.868 -0.057 0.000 1.379 369 T HN 0.524 nan 8.240 nan 0.000 0.478 370 R N 2.638 123.089 120.500 -0.081 0.000 2.668 370 R HA 0.520 4.860 4.340 0.000 0.000 0.272 370 R C -1.038 175.242 176.300 -0.033 0.000 1.019 370 R CA -0.762 55.293 56.100 -0.076 0.000 0.894 370 R CB 0.943 31.194 30.300 -0.082 0.000 1.228 370 R HN 0.569 nan 8.270 nan 0.000 0.460 371 D N 1.480 121.869 120.400 -0.019 0.000 2.733 371 D HA -0.252 4.388 4.640 0.000 0.000 0.228 371 D C 0.907 177.205 176.300 -0.004 0.000 1.182 371 D CA 2.259 56.256 54.000 -0.004 0.000 0.620 371 D CB -0.804 39.998 40.800 0.003 0.000 1.027 371 D HN 1.079 nan 8.370 nan 0.000 0.415 372 G N -1.606 107.189 108.800 -0.008 0.000 2.259 372 G HA2 -0.047 3.913 3.960 0.000 0.000 0.217 372 G HA3 -0.047 3.913 3.960 0.000 0.000 0.217 372 G C 0.263 175.159 174.900 -0.007 0.000 1.001 372 G CA 0.351 45.448 45.100 -0.005 0.000 0.627 372 G HN 1.066 nan 8.290 nan 0.000 0.501 373 A N -0.312 122.502 122.820 -0.010 0.000 2.423 373 A HA 0.819 5.139 4.320 0.000 0.000 0.304 373 A C 0.037 177.616 177.584 -0.010 0.000 1.104 373 A CA -0.647 51.386 52.037 -0.007 0.000 0.757 373 A CB 0.927 19.924 19.000 -0.005 0.000 1.313 373 A HN 0.677 nan 8.150 nan 0.000 0.423 374 I N 2.534 123.103 120.570 -0.001 0.000 2.268 374 I HA 0.032 4.202 4.170 0.000 0.000 0.298 374 I C 1.324 177.453 176.117 0.020 0.000 1.185 374 I CA 0.095 61.400 61.300 0.009 0.000 1.548 374 I CB 0.634 38.644 38.000 0.017 0.000 1.492 374 I HN 0.513 nan 8.210 nan 0.000 0.711 375 V N 4.430 124.351 119.914 0.012 0.000 3.284 375 V HA -0.221 3.899 4.120 0.000 0.000 0.273 375 V C 0.835 176.952 176.094 0.040 0.000 1.178 375 V CA 1.331 63.639 62.300 0.014 0.000 1.177 375 V CB -0.988 30.835 31.823 -0.000 0.000 0.793 375 V HN 0.670 nan 8.190 nan 0.000 0.536 376 H N 1.208 120.261 119.070 -0.028 0.000 2.467 376 H HA 0.440 4.996 4.556 0.000 0.000 0.331 376 H C -1.769 173.553 175.328 -0.011 0.000 1.120 376 H CA -1.945 54.092 56.048 -0.018 0.000 1.270 376 H CB 2.001 31.748 29.762 -0.024 0.000 1.466 376 H HN 0.051 nan 8.280 nan 0.000 0.504 377 P HA 0.065 nan 4.420 nan 0.000 0.253 377 P C 0.418 177.614 177.300 -0.172 0.000 1.260 377 P CA 0.441 63.361 63.100 -0.300 0.000 0.800 377 P CB 0.165 31.692 31.700 -0.289 0.000 1.162 378 A N 1.673 124.494 122.820 0.001 0.000 2.125 378 A HA -0.098 4.222 4.320 0.000 0.000 0.199 378 A C 1.588 179.219 177.584 0.079 0.000 1.193 378 A CA 1.196 53.349 52.037 0.193 0.000 0.747 378 A CB -1.268 17.960 19.000 0.380 0.000 0.853 378 A HN 0.156 nan 8.150 nan 0.000 0.513 379 L N 0.040 121.312 121.223 0.081 0.000 2.928 379 L HA 0.239 4.579 4.340 0.000 0.000 0.246 379 L C -0.292 176.597 176.870 0.031 0.000 1.239 379 L CA 0.674 55.539 54.840 0.042 0.000 1.035 379 L CB -0.321 41.759 42.059 0.036 0.000 1.360 379 L HN 0.453 nan 8.230 nan 0.000 0.529 380 T N -0.425 114.148 114.554 0.031 0.000 4.076 380 T HA 0.501 4.851 4.350 0.000 0.000 0.222 380 T C 0.262 174.961 174.700 -0.003 0.000 1.008 380 T CA -0.266 61.844 62.100 0.018 0.000 1.486 380 T CB 1.264 70.150 68.868 0.029 0.000 0.828 380 T HN 0.415 nan 8.240 nan 0.000 0.625 381 G N 0.000 108.790 108.800 -0.016 0.000 5.446 381 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 381 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 381 G CA 0.000 45.078 45.100 -0.036 0.000 0.502 381 G HN 0.000 nan 8.290 nan 0.000 0.925