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 2i6r_1_D DATA FIRST_RESID 0 DATA SEQUENCE SMQQLINSLF MEAFANPWLA XQEDQARLDL AQLVAEGDRL AFSTDSYVID DATA SEQUENCE PLFFPGGNIG KLAICGTAND VAVSGAIPRY LSCGFILEEG LPMETLKAVV DATA SEQUENCE TSMAETARTA GIAIVTGDTK VVQRGAADKL FINTAGMGAI PTNIHWGAQT DATA SEQUENCE LTAGDILLVS GTLGDHGATI LNLREQLGLD GELVSDCAVL TPLIQTLRDI DATA SEQUENCE PGVKALRDAT RGGVNAVVHE FAAACGCGIE ISESALPVKP AVRGVCELLG DATA SEQUENCE LDALNFANEG KLVIAVERNA AEQVLAALHS HPLGKDAALI GEVVERKGVR DATA SEQUENCE LAGLYGVKRT LDLPHAEPLP RIC 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.595 174.600 -0.009 0.000 1.055 0 S CA 0.000 58.197 58.200 -0.004 0.000 1.107 0 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 1 M N 2.497 122.093 119.600 -0.006 0.000 2.175 1 M HA 0.175 4.655 4.480 -0.000 0.000 0.264 1 M C 1.688 177.985 176.300 -0.005 0.000 1.063 1 M CA 2.242 57.536 55.300 -0.010 0.000 1.119 1 M CB -0.632 31.964 32.600 -0.006 0.000 1.377 1 M HN 0.341 nan 8.290 nan 0.000 0.415 2 Q N -0.036 119.770 119.800 0.009 0.000 2.119 2 Q HA -0.131 4.209 4.340 -0.000 0.000 0.201 2 Q C 2.024 178.038 176.000 0.024 0.000 0.972 2 Q CA 1.885 57.704 55.803 0.026 0.000 0.847 2 Q CB -0.216 28.542 28.738 0.034 0.000 0.903 2 Q HN 0.721 nan 8.270 nan 0.000 0.433 3 Q N -0.566 119.240 119.800 0.010 0.000 2.170 3 Q HA -0.128 4.212 4.340 -0.000 0.000 0.203 3 Q C 2.016 178.004 176.000 -0.019 0.000 0.976 3 Q CA 1.162 56.967 55.803 0.003 0.000 0.858 3 Q CB -0.034 28.704 28.738 -0.001 0.000 0.907 3 Q HN 0.368 nan 8.270 nan 0.000 0.433 4 L N -0.154 121.047 121.223 -0.037 0.000 1.976 4 L HA -0.231 4.108 4.340 -0.000 0.000 0.209 4 L C 2.144 178.940 176.870 -0.123 0.000 1.071 4 L CA 0.974 55.770 54.840 -0.073 0.000 0.746 4 L CB -0.316 41.700 42.059 -0.070 0.000 0.890 4 L HN 0.193 nan 8.230 nan 0.000 0.432 5 I N 0.209 120.711 120.570 -0.114 0.000 2.087 5 I HA -0.377 3.793 4.170 -0.000 0.000 0.240 5 I C 2.266 178.296 176.117 -0.146 0.000 1.054 5 I CA 1.607 62.797 61.300 -0.182 0.000 1.311 5 I CB -0.634 37.353 38.000 -0.021 0.000 1.024 5 I HN 0.316 nan 8.210 nan 0.000 0.402 6 N N -0.437 118.298 118.700 0.057 0.000 2.166 6 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 6 N C 2.079 177.626 175.510 0.061 0.000 1.019 6 N CA 1.588 54.737 53.050 0.165 0.000 0.856 6 N CB -0.548 38.014 38.487 0.126 0.000 0.993 6 N HN 0.343 nan 8.380 nan 0.000 0.426 7 S N 0.509 116.193 115.700 -0.025 0.000 2.399 7 S HA -0.055 4.415 4.470 -0.000 0.000 0.231 7 S C 1.833 176.357 174.600 -0.128 0.000 1.022 7 S CA 0.469 58.637 58.200 -0.054 0.000 0.983 7 S CB -0.188 62.978 63.200 -0.057 0.000 0.803 7 S HN 0.226 nan 8.310 nan 0.000 0.480 8 L N 0.512 121.583 121.223 -0.253 0.000 2.056 8 L HA 0.152 4.491 4.340 -0.000 0.000 0.207 8 L C 1.814 178.391 176.870 -0.487 0.000 1.078 8 L CA 1.875 56.470 54.840 -0.409 0.000 0.749 8 L CB -0.916 40.793 42.059 -0.584 0.000 0.901 8 L HN 0.321 nan 8.230 nan 0.000 0.433 9 F N -1.043 118.740 119.950 -0.279 0.000 2.134 9 F HA -0.203 4.324 4.527 -0.000 0.000 0.299 9 F C 2.369 178.013 175.800 -0.261 0.000 1.097 9 F CA 1.181 58.947 58.000 -0.390 0.000 1.264 9 F CB -0.837 38.074 39.000 -0.149 0.000 1.001 9 F HN 0.052 nan 8.300 nan 0.000 0.479 10 M N -0.425 119.223 119.600 0.079 0.000 2.229 10 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 10 M C 2.170 178.489 176.300 0.032 0.000 1.063 10 M CA 1.264 56.619 55.300 0.092 0.000 1.114 10 M CB -1.104 31.544 32.600 0.081 0.000 1.387 10 M HN 0.177 nan 8.290 nan 0.000 0.420 11 E N 0.266 120.439 120.200 -0.045 0.000 2.046 11 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 11 E C 1.967 178.535 176.600 -0.053 0.000 0.982 11 E CA 1.410 57.780 56.400 -0.050 0.000 0.800 11 E CB 0.172 29.823 29.700 -0.082 0.000 0.756 11 E HN 0.412 nan 8.360 nan 0.000 0.449 12 A N 0.102 122.826 122.820 -0.160 0.000 1.929 12 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 12 A C 1.638 179.251 177.584 0.049 0.000 1.176 12 A CA 0.860 52.803 52.037 -0.156 0.000 0.628 12 A CB -0.426 18.357 19.000 -0.363 0.000 0.816 12 A HN 0.183 nan 8.150 nan 0.000 0.444 13 F N 0.179 120.207 119.950 0.131 0.000 2.765 13 F HA 0.453 4.980 4.527 -0.000 0.000 0.302 13 F C 1.496 177.379 175.800 0.138 0.000 1.111 13 F CA -0.848 57.240 58.000 0.147 0.000 1.359 13 F CB -1.062 38.047 39.000 0.181 0.000 1.097 13 F HN 0.152 nan 8.300 nan 0.000 0.577 14 A N 2.322 125.293 122.820 0.252 0.000 2.592 14 A HA 0.196 4.515 4.320 -0.000 0.000 0.250 14 A C 0.351 178.045 177.584 0.183 0.000 1.017 14 A CA 0.717 52.862 52.037 0.179 0.000 0.794 14 A CB -1.139 17.922 19.000 0.103 0.000 0.917 14 A HN 0.653 nan 8.150 nan 0.000 0.515 15 N N 0.920 119.731 118.700 0.184 0.000 2.927 15 N HA 0.580 5.320 4.740 -0.000 0.000 0.248 15 N C -2.884 172.664 175.510 0.064 0.000 1.443 15 N CA -1.547 51.607 53.050 0.174 0.000 0.870 15 N CB 0.755 39.457 38.487 0.359 0.000 1.444 15 N HN 0.015 nan 8.380 nan 0.000 0.519 16 P HA 0.024 nan 4.420 nan 0.000 0.230 16 P C 0.242 177.327 177.300 -0.358 0.000 1.158 16 P CA 0.784 63.673 63.100 -0.352 0.000 0.769 16 P CB 0.043 31.373 31.700 -0.616 0.000 0.807 17 W N -1.132 120.187 121.300 0.031 0.000 2.523 17 W HA 0.169 4.829 4.660 -0.000 0.000 0.278 17 W C 1.762 178.290 176.519 0.015 0.000 1.236 17 W CA 0.275 57.620 57.345 0.000 0.000 1.306 17 W CB -0.756 28.682 29.460 -0.036 0.000 1.101 17 W HN -0.012 nan 8.180 nan 0.000 0.577 18 L N 0.159 121.530 121.223 0.246 0.000 2.095 18 L HA 0.041 4.381 4.340 -0.000 0.000 0.204 18 L C 1.810 178.748 176.870 0.113 0.000 1.080 18 L CA 0.423 55.371 54.840 0.180 0.000 0.759 18 L CB -0.993 41.191 42.059 0.209 0.000 0.914 18 L HN -0.270 nan 8.230 nan 0.000 0.439 22 E N 1.149 121.368 120.200 0.032 0.000 3.497 22 E HA 0.161 4.510 4.350 -0.000 0.000 0.384 22 E C -0.194 176.423 176.600 0.028 0.000 0.451 22 E CA -0.289 56.127 56.400 0.027 0.000 2.217 22 E CB 0.361 30.072 29.700 0.019 0.000 2.185 22 E HN 0.580 nan 8.360 nan 0.000 0.461 23 D N 0.538 120.951 120.400 0.022 0.000 2.355 23 D HA -0.035 4.605 4.640 -0.000 0.000 0.218 23 D C 0.108 176.418 176.300 0.018 0.000 1.004 23 D CA 0.595 54.608 54.000 0.020 0.000 0.880 23 D CB 0.420 41.230 40.800 0.016 0.000 0.911 23 D HN 0.158 nan 8.370 nan 0.000 0.528 24 Q N -0.236 119.574 119.800 0.017 0.000 2.482 24 Q HA 0.578 4.917 4.340 -0.000 0.000 0.286 24 Q C -1.457 174.551 176.000 0.014 0.000 1.007 24 Q CA -1.056 54.752 55.803 0.008 0.000 0.801 24 Q CB 1.334 30.068 28.738 -0.006 0.000 1.455 24 Q HN -0.160 nan 8.270 nan 0.000 0.398 25 A N 1.483 124.303 122.820 -0.001 0.000 2.304 25 A HA 0.750 5.070 4.320 -0.000 0.000 0.271 25 A C -0.480 177.090 177.584 -0.024 0.000 1.091 25 A CA -0.525 51.514 52.037 0.003 0.000 0.812 25 A CB 0.474 19.443 19.000 -0.051 0.000 1.056 25 A HN 0.612 nan 8.150 nan 0.000 0.489 26 R N 0.738 121.249 120.500 0.019 0.000 2.473 26 R HA 0.489 4.829 4.340 -0.000 0.000 0.303 26 R C -1.564 174.748 176.300 0.020 0.000 1.002 26 R CA -0.184 55.919 56.100 0.005 0.000 0.884 26 R CB 1.351 31.671 30.300 0.033 0.000 1.173 26 R HN 0.642 nan 8.270 nan 0.000 0.464 27 L N 1.288 122.447 121.223 -0.106 0.000 2.325 27 L HA 0.421 4.760 4.340 -0.000 0.000 0.278 27 L C -0.080 176.779 176.870 -0.019 0.000 1.023 27 L CA -0.963 53.766 54.840 -0.185 0.000 0.811 27 L CB 1.774 43.516 42.059 -0.529 0.000 1.249 27 L HN 0.472 nan 8.230 nan 0.000 0.431 28 D N 1.186 121.638 120.400 0.087 0.000 2.358 28 D HA 0.086 4.725 4.640 -0.000 0.000 0.258 28 D C 0.736 177.081 176.300 0.075 0.000 1.223 28 D CA -0.298 53.760 54.000 0.098 0.000 0.886 28 D CB 0.966 41.852 40.800 0.143 0.000 1.120 28 D HN 0.332 nan 8.370 nan 0.000 0.482 29 L N 4.566 125.813 121.223 0.040 0.000 2.156 29 L HA 0.090 4.430 4.340 -0.000 0.000 0.208 29 L C 2.166 179.055 176.870 0.031 0.000 1.095 29 L CA 1.467 56.323 54.840 0.027 0.000 0.770 29 L CB -1.039 41.023 42.059 0.006 0.000 0.914 29 L HN 0.666 nan 8.230 nan 0.000 0.439 30 A N -1.312 121.529 122.820 0.034 0.000 1.902 30 A HA -0.261 4.058 4.320 -0.000 0.000 0.217 30 A C 2.187 179.791 177.584 0.035 0.000 1.181 30 A CA 1.611 53.665 52.037 0.029 0.000 0.623 30 A CB -0.450 18.567 19.000 0.027 0.000 0.818 30 A HN 0.534 nan 8.150 nan 0.000 0.443 31 Q N -0.595 119.239 119.800 0.056 0.000 2.096 31 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 31 Q C 2.089 178.113 176.000 0.040 0.000 0.982 31 Q CA 1.623 57.462 55.803 0.059 0.000 0.850 31 Q CB -0.341 28.458 28.738 0.102 0.000 0.901 31 Q HN 0.704 nan 8.270 nan 0.000 0.422 32 L N -0.545 120.706 121.223 0.046 0.000 2.056 32 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 32 L C 2.376 179.247 176.870 0.002 0.000 1.078 32 L CA 0.625 55.479 54.840 0.023 0.000 0.749 32 L CB -0.462 41.620 42.059 0.037 0.000 0.901 32 L HN 0.120 nan 8.230 nan 0.000 0.433 33 V N -0.076 119.841 119.914 0.005 0.000 2.594 33 V HA -0.227 3.892 4.120 -0.000 0.000 0.253 33 V C 2.508 178.597 176.094 -0.008 0.000 1.069 33 V CA 1.660 63.957 62.300 -0.004 0.000 1.082 33 V CB -0.054 31.769 31.823 -0.001 0.000 0.680 33 V HN 0.433 nan 8.190 nan 0.000 0.469 34 A N -1.050 121.768 122.820 -0.003 0.000 1.968 34 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 34 A C 2.117 179.691 177.584 -0.018 0.000 1.169 34 A CA 1.593 53.626 52.037 -0.006 0.000 0.638 34 A CB -0.359 18.643 19.000 0.003 0.000 0.812 34 A HN 0.655 nan 8.150 nan 0.000 0.446 35 E N -1.170 119.016 120.200 -0.023 0.000 2.170 35 E HA 0.253 4.602 4.350 -0.000 0.000 0.191 35 E C 0.952 177.519 176.600 -0.056 0.000 0.981 35 E CA 0.485 56.861 56.400 -0.040 0.000 0.830 35 E CB 0.160 29.833 29.700 -0.045 0.000 0.775 35 E HN 0.579 nan 8.360 nan 0.000 0.470 36 G N 0.438 109.208 108.800 -0.050 0.000 2.430 36 G HA2 0.036 3.995 3.960 -0.000 0.000 0.300 36 G HA3 0.036 3.995 3.960 -0.000 0.000 0.300 36 G C -1.040 173.833 174.900 -0.044 0.000 1.330 36 G CA -0.070 44.992 45.100 -0.063 0.000 0.813 36 G HN 0.063 nan 8.290 nan 0.000 0.487 37 D N -1.283 119.090 120.400 -0.045 0.000 2.379 37 D HA 0.143 4.783 4.640 -0.000 0.000 0.208 37 D C 0.727 177.017 176.300 -0.017 0.000 1.065 37 D CA 0.152 54.138 54.000 -0.024 0.000 0.848 37 D CB 0.609 41.401 40.800 -0.014 0.000 0.949 37 D HN 0.339 nan 8.370 nan 0.000 0.509 38 R N -0.057 120.429 120.500 -0.024 0.000 2.686 38 R HA 0.523 4.863 4.340 -0.000 0.000 0.286 38 R C -1.354 174.940 176.300 -0.010 0.000 0.969 38 R CA -1.010 55.084 56.100 -0.010 0.000 0.898 38 R CB 2.244 32.543 30.300 -0.002 0.000 1.183 38 R HN -0.030 nan 8.270 nan 0.000 0.456 39 L N 2.393 123.619 121.223 0.004 0.000 2.257 39 L HA 0.497 4.836 4.340 -0.000 0.000 0.290 39 L C -0.449 176.456 176.870 0.058 0.000 1.044 39 L CA -0.112 54.738 54.840 0.016 0.000 0.810 39 L CB 1.221 43.279 42.059 -0.002 0.000 1.193 39 L HN 0.812 nan 8.230 nan 0.000 0.425 40 A N 5.215 128.071 122.820 0.060 0.000 2.409 40 A HA 0.448 4.768 4.320 -0.000 0.000 0.267 40 A C -0.937 176.758 177.584 0.185 0.000 1.127 40 A CA -0.087 52.004 52.037 0.091 0.000 0.795 40 A CB -0.300 18.727 19.000 0.045 0.000 1.061 40 A HN 0.615 nan 8.150 nan 0.000 0.502 41 F N 2.666 122.612 119.950 -0.007 0.000 2.562 41 F HA 0.648 5.174 4.527 -0.001 0.000 0.319 41 F C -0.230 175.566 175.800 -0.006 0.000 1.154 41 F CA -0.556 57.440 58.000 -0.007 0.000 0.931 41 F CB 1.866 40.862 39.000 -0.007 0.000 1.198 41 F HN 0.529 nan 8.300 nan 0.000 0.444 42 S N 3.644 119.066 115.700 -0.463 0.000 2.627 42 S HA 0.831 5.301 4.470 -0.000 0.000 0.283 42 S C -1.224 173.078 174.600 -0.497 0.000 1.127 42 S CA -0.324 57.609 58.200 -0.445 0.000 0.863 42 S CB 1.942 65.037 63.200 -0.175 0.000 1.121 42 S HN 0.931 nan 8.310 nan 0.000 0.479 43 T N 1.475 115.811 114.554 -0.364 0.000 2.894 43 T HA 0.597 4.947 4.350 -0.000 0.000 0.309 43 T C -2.388 172.198 174.700 -0.191 0.000 1.208 43 T CA -0.483 61.468 62.100 -0.247 0.000 1.016 43 T CB 1.659 70.372 68.868 -0.259 0.000 1.192 43 T HN 0.586 nan 8.240 nan 0.000 0.491 44 D N 1.074 121.376 120.400 -0.164 0.000 2.753 44 D HA 0.502 5.142 4.640 -0.000 0.000 0.224 44 D C -1.090 174.973 176.300 -0.395 0.000 1.213 44 D CA -0.347 53.463 54.000 -0.316 0.000 0.833 44 D CB 2.706 43.259 40.800 -0.413 0.000 1.607 44 D HN 0.508 nan 8.370 nan 0.000 0.463 45 S N 0.797 116.190 115.700 -0.512 0.000 2.549 45 S HA 0.582 5.051 4.470 -0.000 0.000 0.297 45 S C -0.983 173.199 174.600 -0.696 0.000 1.115 45 S CA -0.557 57.390 58.200 -0.422 0.000 1.059 45 S CB 0.930 63.974 63.200 -0.260 0.000 1.046 45 S HN 0.251 nan 8.310 nan 0.000 0.506 46 Y N 0.638 120.888 120.300 -0.083 0.000 2.331 46 Y HA 0.460 5.010 4.550 -0.000 0.000 0.334 46 Y C 0.560 176.456 175.900 -0.007 0.000 0.960 46 Y CA -0.981 57.092 58.100 -0.045 0.000 1.130 46 Y CB 1.401 39.847 38.460 -0.023 0.000 1.164 46 Y HN 0.451 nan 8.280 nan 0.000 0.458 47 V N 1.486 121.433 119.914 0.056 0.000 3.017 47 V HA 0.391 4.511 4.120 -0.000 0.000 0.354 47 V C 0.103 176.281 176.094 0.139 0.000 1.389 47 V CA -0.530 61.794 62.300 0.041 0.000 1.163 47 V CB -0.489 31.106 31.823 -0.380 0.000 1.178 47 V HN 0.746 nan 8.190 nan 0.000 0.547 48 I N 2.134 122.806 120.570 0.170 0.000 2.752 48 I HA 0.337 4.507 4.170 -0.000 0.000 0.287 48 I C -0.210 175.999 176.117 0.153 0.000 1.188 48 I CA 0.768 62.151 61.300 0.138 0.000 1.427 48 I CB 0.910 39.010 38.000 0.167 0.000 1.365 48 I HN 0.548 nan 8.210 nan 0.000 0.585 49 D N 8.722 129.182 120.400 0.099 0.000 2.788 49 D HA 0.491 5.130 4.640 -0.000 0.000 0.247 49 D C -2.695 173.644 176.300 0.066 0.000 1.236 49 D CA -1.719 52.344 54.000 0.106 0.000 0.898 49 D CB 2.029 42.885 40.800 0.093 0.000 1.401 49 D HN 0.121 nan 8.370 nan 0.000 0.549 50 P HA 0.232 nan 4.420 nan 0.000 0.279 50 P C 0.861 178.315 177.300 0.255 0.000 1.276 50 P CA -0.581 62.626 63.100 0.178 0.000 0.801 50 P CB 1.446 33.258 31.700 0.187 0.000 1.127 51 L N -1.338 120.022 121.223 0.228 0.000 2.156 51 L HA 0.066 4.406 4.340 -0.000 0.000 0.208 51 L C 0.648 177.441 176.870 -0.128 0.000 1.095 51 L CA 1.256 56.163 54.840 0.111 0.000 0.770 51 L CB -0.403 41.727 42.059 0.118 0.000 0.914 51 L HN 0.228 nan 8.230 nan 0.000 0.439 52 F N -0.357 119.656 119.950 0.106 0.000 2.507 52 F HA 0.498 5.024 4.527 -0.000 0.000 0.325 52 F C -0.229 175.600 175.800 0.048 0.000 1.116 52 F CA -1.108 56.845 58.000 -0.079 0.000 0.930 52 F CB 1.751 40.711 39.000 -0.067 0.000 1.146 52 F HN -0.205 nan 8.300 nan 0.000 0.447 53 F N 0.715 120.774 119.950 0.181 0.000 2.645 53 F HA 0.770 5.297 4.527 -0.000 0.000 0.310 53 F C -3.195 172.666 175.800 0.102 0.000 1.102 53 F CA -3.413 54.650 58.000 0.106 0.000 0.952 53 F CB 0.462 39.491 39.000 0.048 0.000 1.326 53 F HN 0.076 nan 8.300 nan 0.000 0.456 54 P HA 0.291 nan 4.420 nan 0.000 0.263 54 P C 0.679 178.128 177.300 0.248 0.000 1.195 54 P CA 1.490 64.698 63.100 0.181 0.000 0.762 54 P CB 0.672 32.459 31.700 0.146 0.000 0.799 55 G N 1.673 110.550 108.800 0.128 0.000 2.195 55 G HA2 0.071 4.031 3.960 -0.000 0.000 0.224 55 G HA3 0.071 4.031 3.960 -0.000 0.000 0.224 55 G C 0.336 175.282 174.900 0.076 0.000 0.990 55 G CA -0.089 45.100 45.100 0.148 0.000 0.639 55 G HN 0.991 nan 8.290 nan 0.000 0.514 56 G N -0.501 108.171 108.800 -0.212 0.000 2.356 56 G HA2 0.695 4.654 3.960 -0.000 0.000 0.281 56 G HA3 0.695 4.654 3.960 -0.000 0.000 0.281 56 G C -1.101 173.123 174.900 -1.127 0.000 1.246 56 G CA 0.490 45.308 45.100 -0.469 0.000 0.889 56 G HN 1.814 nan 8.290 nan 0.000 0.486 57 N N -2.156 115.982 118.700 -0.937 0.000 3.116 57 N HA 0.401 5.141 4.740 -0.000 0.000 0.244 57 N C 0.784 176.082 175.510 -0.355 0.000 1.485 57 N CA -0.387 52.091 53.050 -0.953 0.000 0.884 57 N CB 1.238 39.039 38.487 -1.144 0.000 1.415 57 N HN 0.671 nan 8.380 nan 0.000 0.524 58 I N -0.318 120.103 120.570 -0.248 0.000 2.335 58 I HA -0.136 4.033 4.170 -0.000 0.000 0.251 58 I C 1.776 177.816 176.117 -0.128 0.000 1.129 58 I CA 2.081 63.349 61.300 -0.053 0.000 1.402 58 I CB -0.461 37.555 38.000 0.027 0.000 1.069 58 I HN 0.826 nan 8.210 nan 0.000 0.424 59 G N 0.331 109.047 108.800 -0.140 0.000 2.414 59 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.215 59 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.215 59 G C 1.687 176.525 174.900 -0.103 0.000 1.188 59 G CA 0.812 45.876 45.100 -0.060 0.000 0.783 59 G HN 0.342 nan 8.290 nan 0.000 0.537 60 K N -0.346 119.991 120.400 -0.105 0.000 2.032 60 K HA -0.086 4.234 4.320 -0.000 0.000 0.209 60 K C 2.431 178.950 176.600 -0.134 0.000 1.048 60 K CA 1.322 57.556 56.287 -0.089 0.000 0.927 60 K CB -0.299 32.156 32.500 -0.074 0.000 0.712 60 K HN 0.231 nan 8.250 nan 0.000 0.441 61 L N 0.856 121.990 121.223 -0.148 0.000 2.083 61 L HA -0.103 4.236 4.340 -0.000 0.000 0.209 61 L C 2.136 178.642 176.870 -0.606 0.000 1.083 61 L CA 2.022 56.733 54.840 -0.215 0.000 0.752 61 L CB -0.618 41.401 42.059 -0.066 0.000 0.899 61 L HN 0.249 nan 8.230 nan 0.000 0.433 62 A N -0.767 121.593 122.820 -0.767 0.000 2.015 62 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 62 A C 2.080 179.329 177.584 -0.558 0.000 1.163 62 A CA 1.525 52.850 52.037 -1.187 0.000 0.646 62 A CB -0.570 18.019 19.000 -0.685 0.000 0.806 62 A HN 0.419 nan 8.150 nan 0.000 0.448 63 I N -0.439 119.940 120.570 -0.317 0.000 2.235 63 I HA -0.171 3.999 4.170 -0.000 0.000 0.241 63 I C 2.569 178.611 176.117 -0.124 0.000 1.085 63 I CA 0.890 62.087 61.300 -0.173 0.000 1.378 63 I CB -1.759 36.174 38.000 -0.113 0.000 1.076 63 I HN 0.333 nan 8.210 nan 0.000 0.415 64 C N 1.361 120.588 119.300 -0.121 0.000 2.413 64 C HA -0.109 4.350 4.460 -0.000 0.000 0.277 64 C C 3.059 178.027 174.990 -0.036 0.000 1.228 64 C CA 1.105 60.084 59.018 -0.065 0.000 1.731 64 C CB -1.775 25.932 27.740 -0.055 0.000 2.042 64 C HN 0.659 nan 8.230 nan 0.000 0.468 65 G N -0.080 108.705 108.800 -0.024 0.000 2.421 65 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 65 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 65 G C 1.690 176.650 174.900 0.100 0.000 1.171 65 G CA 1.731 46.893 45.100 0.102 0.000 0.775 65 G HN 0.523 nan 8.290 nan 0.000 0.543 66 T N 1.459 116.074 114.554 0.101 0.000 2.812 66 T HA 0.155 4.504 4.350 -0.000 0.000 0.264 66 T C 2.840 177.541 174.700 0.001 0.000 1.042 66 T CA 1.219 63.349 62.100 0.049 0.000 1.140 66 T CB -0.336 68.562 68.868 0.051 0.000 0.870 66 T HN 0.357 nan 8.240 nan 0.000 0.445 67 A N 2.693 125.503 122.820 -0.016 0.000 1.917 67 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 67 A C 2.225 179.804 177.584 -0.009 0.000 1.182 67 A CA 1.776 53.800 52.037 -0.023 0.000 0.633 67 A CB -0.689 18.291 19.000 -0.033 0.000 0.819 67 A HN 0.392 nan 8.150 nan 0.000 0.448 68 N N 0.419 119.117 118.700 -0.003 0.000 2.142 68 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 68 N C 1.175 176.692 175.510 0.012 0.000 1.023 68 N CA 1.486 54.538 53.050 0.004 0.000 0.852 68 N CB -0.540 37.947 38.487 0.001 0.000 0.998 68 N HN 0.434 nan 8.380 nan 0.000 0.424 69 D N 0.294 120.698 120.400 0.007 0.000 2.149 69 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 69 D C 2.005 178.311 176.300 0.010 0.000 0.990 69 D CA 0.514 54.515 54.000 0.002 0.000 0.839 69 D CB -0.133 40.653 40.800 -0.023 0.000 0.948 69 D HN 0.028 nan 8.370 nan 0.000 0.460 70 V N 1.082 121.000 119.914 0.006 0.000 2.283 70 V HA -0.151 3.969 4.120 -0.000 0.000 0.243 70 V C 2.480 178.591 176.094 0.027 0.000 1.039 70 V CA 1.648 63.957 62.300 0.014 0.000 1.016 70 V CB -0.727 31.098 31.823 0.004 0.000 0.650 70 V HN 0.173 nan 8.190 nan 0.000 0.449 71 A N -0.575 122.260 122.820 0.024 0.000 2.024 71 A HA -0.162 4.157 4.320 -0.000 0.000 0.220 71 A C 2.315 179.963 177.584 0.107 0.000 1.164 71 A CA 1.743 53.805 52.037 0.041 0.000 0.643 71 A CB -0.638 18.376 19.000 0.023 0.000 0.806 71 A HN 0.331 nan 8.150 nan 0.000 0.451 72 V N 0.909 120.887 119.914 0.108 0.000 2.913 72 V HA -0.165 3.955 4.120 -0.000 0.000 0.260 72 V C 2.717 178.977 176.094 0.275 0.000 1.098 72 V CA 2.036 64.434 62.300 0.163 0.000 1.121 72 V CB -0.433 31.446 31.823 0.094 0.000 0.714 72 V HN 0.844 nan 8.190 nan 0.000 0.487 73 S N -0.736 115.076 115.700 0.187 0.000 2.527 73 S HA 0.208 4.678 4.470 -0.000 0.000 0.222 73 S C 1.657 176.278 174.600 0.035 0.000 0.985 73 S CA 0.964 59.255 58.200 0.152 0.000 0.921 73 S CB 0.642 63.876 63.200 0.056 0.000 0.772 73 S HN 1.009 nan 8.310 nan 0.000 0.529 74 G N 0.625 109.458 108.800 0.054 0.000 2.238 74 G HA2 -0.053 3.906 3.960 -0.000 0.000 0.217 74 G HA3 -0.053 3.906 3.960 -0.000 0.000 0.217 74 G C 0.280 175.094 174.900 -0.143 0.000 0.996 74 G CA -0.133 44.833 45.100 -0.223 0.000 0.632 74 G HN 1.237 nan 8.290 nan 0.000 0.503 75 A N 0.289 123.059 122.820 -0.083 0.000 2.407 75 A HA 0.677 4.996 4.320 -0.000 0.000 0.248 75 A C 0.456 178.008 177.584 -0.054 0.000 1.082 75 A CA 0.090 52.082 52.037 -0.074 0.000 0.785 75 A CB 0.239 19.207 19.000 -0.052 0.000 1.020 75 A HN 0.767 nan 8.150 nan 0.000 0.489 76 I N 3.155 123.682 120.570 -0.071 0.000 2.337 76 I HA 0.207 4.377 4.170 -0.000 0.000 0.291 76 I C -2.028 174.029 176.117 -0.099 0.000 1.046 76 I CA -1.796 59.461 61.300 -0.072 0.000 1.324 76 I CB 1.370 39.324 38.000 -0.076 0.000 1.409 76 I HN 0.414 nan 8.210 nan 0.000 0.494 77 P HA 0.159 nan 4.420 nan 0.000 0.268 77 P C -0.159 177.023 177.300 -0.197 0.000 1.205 77 P CA -0.053 62.981 63.100 -0.111 0.000 0.771 77 P CB 0.996 32.651 31.700 -0.074 0.000 0.858 78 R N 1.346 121.661 120.500 -0.309 0.000 2.562 78 R HA 0.296 4.635 4.340 -0.000 0.000 0.191 78 R C -0.340 175.505 176.300 -0.760 0.000 0.835 78 R CA 0.405 56.126 56.100 -0.632 0.000 1.036 78 R CB 0.574 30.325 30.300 -0.915 0.000 1.437 78 R HN 0.467 nan 8.270 nan 0.000 0.654 79 Y N -0.050 120.146 120.300 -0.174 0.000 2.386 79 Y HA 0.526 5.076 4.550 -0.001 0.000 0.334 79 Y C -1.184 174.637 175.900 -0.132 0.000 1.002 79 Y CA -1.266 56.701 58.100 -0.221 0.000 1.068 79 Y CB 2.119 40.411 38.460 -0.281 0.000 1.203 79 Y HN -0.172 nan 8.280 nan 0.000 0.443 80 L N 2.951 124.191 121.223 0.028 0.000 2.362 80 L HA 0.666 5.005 4.340 -0.000 0.000 0.271 80 L C -0.174 176.679 176.870 -0.029 0.000 1.002 80 L CA -0.356 54.476 54.840 -0.013 0.000 0.818 80 L CB 2.243 44.259 42.059 -0.073 0.000 1.298 80 L HN 0.714 nan 8.230 nan 0.000 0.420 81 S N 1.394 117.087 115.700 -0.012 0.000 2.681 81 S HA 0.782 5.251 4.470 -0.000 0.000 0.299 81 S C -0.661 173.905 174.600 -0.056 0.000 1.113 81 S CA -0.711 57.476 58.200 -0.022 0.000 1.013 81 S CB 1.736 64.948 63.200 0.019 0.000 1.076 81 S HN 0.858 nan 8.310 nan 0.000 0.534 82 C N 1.534 120.798 119.300 -0.059 0.000 2.833 82 C HA 0.773 5.233 4.460 -0.000 0.000 0.383 82 C C 0.023 174.963 174.990 -0.083 0.000 1.058 82 C CA 0.131 59.083 59.018 -0.109 0.000 1.259 82 C CB -0.034 27.625 27.740 -0.135 0.000 1.726 82 C HN 1.263 nan 8.230 nan 0.000 0.484 83 G N 4.556 113.278 108.800 -0.130 0.000 2.422 83 G HA2 0.684 4.644 3.960 -0.000 0.000 0.317 83 G HA3 0.684 4.644 3.960 -0.000 0.000 0.317 83 G C -1.135 173.686 174.900 -0.132 0.000 1.210 83 G CA -0.242 44.825 45.100 -0.055 0.000 0.930 83 G HN 0.612 nan 8.290 nan 0.000 0.468 84 F N 1.293 121.234 119.950 -0.014 0.000 2.422 84 F HA 0.564 5.090 4.527 -0.000 0.000 0.333 84 F C 0.557 176.403 175.800 0.076 0.000 1.095 84 F CA -0.693 57.340 58.000 0.056 0.000 1.038 84 F CB 2.098 41.141 39.000 0.071 0.000 1.156 84 F HN 0.159 nan 8.300 nan 0.000 0.483 85 I N 4.990 125.720 120.570 0.267 0.000 2.411 85 I HA 0.344 4.513 4.170 -0.000 0.000 0.284 85 I C -1.032 175.151 176.117 0.109 0.000 1.012 85 I CA -0.390 61.019 61.300 0.183 0.000 1.119 85 I CB 1.083 39.203 38.000 0.200 0.000 1.261 85 I HN 0.324 nan 8.210 nan 0.000 0.448 86 L N 5.373 126.655 121.223 0.098 0.000 2.334 86 L HA 0.534 4.874 4.340 -0.000 0.000 0.273 86 L C 0.139 176.998 176.870 -0.019 0.000 1.013 86 L CA -0.697 54.169 54.840 0.044 0.000 0.816 86 L CB 1.747 43.860 42.059 0.090 0.000 1.278 86 L HN 0.562 nan 8.230 nan 0.000 0.431 87 E N 2.243 122.407 120.200 -0.060 0.000 2.259 87 E HA 0.078 4.428 4.350 -0.000 0.000 0.281 87 E C -0.483 176.106 176.600 -0.018 0.000 1.027 87 E CA -0.677 55.691 56.400 -0.053 0.000 0.838 87 E CB 0.926 30.578 29.700 -0.080 0.000 1.066 87 E HN 0.429 nan 8.360 nan 0.000 0.401 88 E N 2.299 122.494 120.200 -0.008 0.000 2.608 88 E HA -0.057 4.293 4.350 -0.000 0.000 0.259 88 E C 0.559 177.156 176.600 -0.005 0.000 0.951 88 E CA 1.496 57.895 56.400 -0.002 0.000 0.945 88 E CB 0.702 30.403 29.700 0.001 0.000 0.916 88 E HN 0.921 nan 8.360 nan 0.000 0.477 89 G N 3.090 111.887 108.800 -0.005 0.000 2.143 89 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.249 89 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.249 89 G C 0.150 175.047 174.900 -0.005 0.000 0.981 89 G CA 0.296 45.392 45.100 -0.006 0.000 0.665 89 G HN 0.456 nan 8.290 nan 0.000 0.528 90 L N 2.108 123.328 121.223 -0.004 0.000 2.462 90 L HA 0.553 4.893 4.340 -0.000 0.000 0.272 90 L C -1.415 175.453 176.870 -0.002 0.000 1.166 90 L CA -1.346 53.496 54.840 0.003 0.000 0.880 90 L CB 0.110 42.175 42.059 0.010 0.000 1.142 90 L HN 0.010 nan 8.230 nan 0.000 0.473 91 P HA 0.071 nan 4.420 nan 0.000 0.268 91 P C 0.688 177.978 177.300 -0.017 0.000 1.204 91 P CA -0.212 62.882 63.100 -0.010 0.000 0.768 91 P CB 0.551 32.246 31.700 -0.008 0.000 0.842 92 M N 1.561 121.140 119.600 -0.036 0.000 2.279 92 M HA -0.138 4.342 4.480 -0.000 0.000 0.264 92 M C 1.640 177.908 176.300 -0.054 0.000 1.062 92 M CA 1.687 56.953 55.300 -0.057 0.000 1.099 92 M CB -0.837 31.721 32.600 -0.070 0.000 1.394 92 M HN 0.541 nan 8.290 nan 0.000 0.426 93 E N -0.621 119.553 120.200 -0.043 0.000 2.118 93 E HA -0.156 4.193 4.350 -0.000 0.000 0.195 93 E C 1.754 178.339 176.600 -0.025 0.000 0.992 93 E CA 1.797 58.169 56.400 -0.047 0.000 0.804 93 E CB 0.202 29.868 29.700 -0.056 0.000 0.741 93 E HN 0.433 nan 8.360 nan 0.000 0.458 94 T N 1.098 115.656 114.554 0.008 0.000 2.770 94 T HA -0.094 4.256 4.350 -0.000 0.000 0.263 94 T C 1.798 176.581 174.700 0.138 0.000 1.039 94 T CA 0.555 62.713 62.100 0.097 0.000 1.142 94 T CB -0.189 68.751 68.868 0.120 0.000 0.868 94 T HN 0.140 nan 8.240 nan 0.000 0.435 95 L N 0.665 121.921 121.223 0.054 0.000 2.012 95 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 95 L C 2.622 179.474 176.870 -0.029 0.000 1.073 95 L CA 1.740 56.586 54.840 0.011 0.000 0.748 95 L CB -0.356 41.654 42.059 -0.083 0.000 0.891 95 L HN 0.244 nan 8.230 nan 0.000 0.431 96 K N -0.453 119.911 120.400 -0.060 0.000 2.032 96 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 96 K C 1.981 178.580 176.600 -0.002 0.000 1.048 96 K CA 1.646 57.883 56.287 -0.083 0.000 0.927 96 K CB -0.140 32.311 32.500 -0.081 0.000 0.712 96 K HN 0.427 nan 8.250 nan 0.000 0.441 97 A N 0.045 122.908 122.820 0.071 0.000 1.969 97 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 97 A C 2.169 179.902 177.584 0.248 0.000 1.169 97 A CA 1.267 53.398 52.037 0.156 0.000 0.635 97 A CB -0.336 18.758 19.000 0.156 0.000 0.810 97 A HN 0.148 nan 8.150 nan 0.000 0.445 98 V N -0.602 119.463 119.914 0.251 0.000 2.323 98 V HA -0.189 3.930 4.120 -0.000 0.000 0.244 98 V C 2.564 178.789 176.094 0.219 0.000 1.041 98 V CA 1.859 64.273 62.300 0.190 0.000 1.025 98 V CB -0.666 31.276 31.823 0.198 0.000 0.656 98 V HN 0.353 nan 8.190 nan 0.000 0.451 99 V N -0.075 119.953 119.914 0.189 0.000 2.295 99 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 99 V C 2.615 178.815 176.094 0.177 0.000 1.049 99 V CA 2.709 65.129 62.300 0.200 0.000 1.024 99 V CB -0.994 30.752 31.823 -0.129 0.000 0.648 99 V HN 0.606 nan 8.190 nan 0.000 0.447 100 T N -0.596 114.006 114.554 0.080 0.000 2.684 100 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 100 T C 2.142 176.920 174.700 0.130 0.000 1.036 100 T CA 2.082 64.230 62.100 0.079 0.000 1.148 100 T CB -0.358 68.535 68.868 0.042 0.000 0.863 100 T HN 0.542 nan 8.240 nan 0.000 0.436 101 S N 0.395 116.175 115.700 0.133 0.000 2.368 101 S HA -0.061 4.409 4.470 -0.000 0.000 0.224 101 S C 2.161 176.832 174.600 0.118 0.000 1.029 101 S CA 1.081 59.345 58.200 0.107 0.000 0.988 101 S CB -0.404 62.845 63.200 0.081 0.000 0.838 101 S HN 0.402 nan 8.310 nan 0.000 0.462 102 M N 1.081 120.790 119.600 0.181 0.000 2.065 102 M HA -0.126 4.354 4.480 -0.000 0.000 0.259 102 M C 2.589 179.024 176.300 0.226 0.000 1.069 102 M CA 1.829 57.248 55.300 0.198 0.000 1.110 102 M CB -0.796 32.013 32.600 0.347 0.000 1.328 102 M HN 0.525 nan 8.290 nan 0.000 0.405 103 A N 0.304 123.371 122.820 0.412 0.000 1.892 103 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 103 A C 1.899 179.600 177.584 0.196 0.000 1.188 103 A CA 2.088 54.359 52.037 0.389 0.000 0.631 103 A CB -0.870 18.380 19.000 0.417 0.000 0.822 103 A HN 0.592 nan 8.150 nan 0.000 0.447 104 E N -0.983 119.305 120.200 0.148 0.000 2.077 104 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 104 E C 2.099 178.742 176.600 0.071 0.000 0.989 104 E CA 1.602 58.060 56.400 0.096 0.000 0.800 104 E CB -0.342 29.405 29.700 0.078 0.000 0.746 104 E HN 0.644 nan 8.360 nan 0.000 0.452 105 T N 0.961 115.551 114.554 0.061 0.000 2.777 105 T HA -0.110 4.239 4.350 -0.000 0.000 0.266 105 T C 2.046 176.759 174.700 0.023 0.000 1.040 105 T CA 1.119 63.239 62.100 0.032 0.000 1.141 105 T CB -0.202 68.672 68.868 0.010 0.000 0.868 105 T HN 0.237 nan 8.240 nan 0.000 0.444 106 A N 1.697 124.532 122.820 0.025 0.000 1.877 106 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 106 A C 2.339 179.942 177.584 0.032 0.000 1.186 106 A CA 1.580 53.622 52.037 0.007 0.000 0.620 106 A CB -0.574 18.417 19.000 -0.015 0.000 0.822 106 A HN 0.360 nan 8.150 nan 0.000 0.443 107 R N -0.976 119.562 120.500 0.063 0.000 2.073 107 R HA -0.111 4.228 4.340 -0.000 0.000 0.234 107 R C 2.244 178.576 176.300 0.053 0.000 1.134 107 R CA 1.954 58.097 56.100 0.072 0.000 0.952 107 R CB -0.562 29.792 30.300 0.090 0.000 0.850 107 R HN 0.526 nan 8.270 nan 0.000 0.433 108 T N 0.438 115.020 114.554 0.047 0.000 2.720 108 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 108 T C 1.613 176.331 174.700 0.030 0.000 1.037 108 T CA 1.448 63.571 62.100 0.039 0.000 1.144 108 T CB -0.207 68.683 68.868 0.038 0.000 0.864 108 T HN 0.405 nan 8.240 nan 0.000 0.444 109 A N 0.420 123.252 122.820 0.020 0.000 2.235 109 A HA 0.462 4.782 4.320 -0.000 0.000 0.208 109 A C 1.899 179.480 177.584 -0.004 0.000 1.172 109 A CA 0.840 52.880 52.037 0.005 0.000 0.786 109 A CB -0.996 17.999 19.000 -0.009 0.000 0.804 109 A HN 0.755 nan 8.150 nan 0.000 0.479 110 G N -0.731 108.075 108.800 0.010 0.000 2.225 110 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.267 110 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.267 110 G C 0.031 174.916 174.900 -0.025 0.000 1.024 110 G CA 0.601 45.706 45.100 0.008 0.000 0.784 110 G HN 0.517 nan 8.290 nan 0.000 0.507 111 I N 0.769 121.322 120.570 -0.029 0.000 2.359 111 I HA 0.591 4.761 4.170 -0.000 0.000 0.294 111 I C 0.744 176.848 176.117 -0.021 0.000 0.987 111 I CA -0.527 60.731 61.300 -0.070 0.000 1.225 111 I CB 1.797 39.753 38.000 -0.074 0.000 1.366 111 I HN 0.257 nan 8.210 nan 0.000 0.466 112 A N 7.496 130.296 122.820 -0.033 0.000 2.290 112 A HA 0.661 4.981 4.320 -0.000 0.000 0.310 112 A C -0.347 177.245 177.584 0.013 0.000 1.202 112 A CA -0.467 51.606 52.037 0.060 0.000 0.837 112 A CB 0.267 19.323 19.000 0.093 0.000 1.139 112 A HN 0.684 nan 8.150 nan 0.000 0.509 113 I N 3.988 124.557 120.570 -0.002 0.000 2.281 113 I HA 0.139 4.309 4.170 -0.000 0.000 0.293 113 I C 1.106 177.241 176.117 0.029 0.000 1.085 113 I CA -0.204 61.036 61.300 -0.100 0.000 1.257 113 I CB 1.286 39.032 38.000 -0.423 0.000 1.430 113 I HN 0.602 nan 8.210 nan 0.000 0.489 114 V N 1.365 121.287 119.914 0.014 0.000 3.644 114 V HA 0.288 4.408 4.120 -0.000 0.000 0.267 114 V C 0.566 176.700 176.094 0.067 0.000 1.277 114 V CA 0.431 62.767 62.300 0.061 0.000 1.096 114 V CB 0.406 32.145 31.823 -0.139 0.000 0.828 114 V HN 0.729 nan 8.190 nan 0.000 0.446 115 T N -1.373 113.203 114.554 0.037 0.000 2.786 115 T HA 0.713 5.063 4.350 -0.000 0.000 0.316 115 T C -0.483 174.238 174.700 0.035 0.000 1.503 115 T CA 0.281 62.408 62.100 0.045 0.000 1.019 115 T CB 1.482 70.362 68.868 0.020 0.000 1.415 115 T HN 0.953 nan 8.240 nan 0.000 0.496 116 G N 1.047 109.872 108.800 0.041 0.000 2.490 116 G HA2 0.593 4.553 3.960 -0.000 0.000 0.308 116 G HA3 0.593 4.553 3.960 -0.000 0.000 0.308 116 G C -2.132 172.778 174.900 0.017 0.000 1.286 116 G CA -0.240 44.875 45.100 0.024 0.000 0.825 116 G HN 0.843 nan 8.290 nan 0.000 0.479 117 D N -2.201 118.203 120.400 0.006 0.000 2.683 117 D HA 0.633 5.273 4.640 -0.000 0.000 0.246 117 D C -1.254 175.068 176.300 0.037 0.000 1.238 117 D CA -0.094 53.919 54.000 0.021 0.000 0.759 117 D CB 2.100 42.922 40.800 0.036 0.000 1.349 117 D HN 0.426 nan 8.370 nan 0.000 0.426 118 T N 2.306 116.893 114.554 0.054 0.000 2.991 118 T HA 0.508 4.857 4.350 -0.000 0.000 0.303 118 T C -1.200 173.564 174.700 0.106 0.000 1.015 118 T CA -0.873 61.291 62.100 0.106 0.000 1.007 118 T CB 1.371 70.300 68.868 0.103 0.000 1.034 118 T HN 0.123 nan 8.240 nan 0.000 0.446 119 K N 2.341 122.815 120.400 0.123 0.000 2.324 119 K HA 0.681 5.001 4.320 -0.000 0.000 0.253 119 K C -0.906 175.751 176.600 0.095 0.000 0.932 119 K CA -0.725 55.620 56.287 0.095 0.000 0.799 119 K CB 2.595 35.148 32.500 0.087 0.000 1.154 119 K HN 0.363 nan 8.250 nan 0.000 0.425 120 V N 3.197 123.153 119.914 0.070 0.000 2.435 120 V HA 0.379 4.499 4.120 -0.000 0.000 0.290 120 V C 0.133 176.251 176.094 0.040 0.000 1.030 120 V CA -0.888 61.444 62.300 0.054 0.000 0.881 120 V CB 1.690 33.539 31.823 0.044 0.000 0.983 120 V HN 0.565 nan 8.190 nan 0.000 0.445 121 V N 3.037 122.968 119.914 0.028 0.000 3.093 121 V HA 0.677 4.796 4.120 -0.000 0.000 0.320 121 V C 0.000 176.101 176.094 0.011 0.000 1.093 121 V CA -0.822 61.492 62.300 0.023 0.000 1.016 121 V CB 1.774 33.612 31.823 0.025 0.000 1.096 121 V HN 0.878 nan 8.190 nan 0.000 0.452 122 Q N 1.289 121.097 119.800 0.013 0.000 2.500 122 Q HA 0.320 4.660 4.340 -0.000 0.000 0.215 122 Q C -0.275 175.726 176.000 0.002 0.000 1.062 122 Q CA -0.553 55.255 55.803 0.008 0.000 0.996 122 Q CB 0.618 29.363 28.738 0.012 0.000 1.239 122 Q HN 0.738 nan 8.270 nan 0.000 0.578 123 R N -0.492 120.009 120.500 0.002 0.000 2.502 123 R HA 0.163 4.503 4.340 -0.000 0.000 0.292 123 R C 0.901 177.203 176.300 0.004 0.000 0.998 123 R CA 1.330 57.429 56.100 -0.000 0.000 1.056 123 R CB -0.318 29.983 30.300 0.001 0.000 0.939 123 R HN 1.039 nan 8.270 nan 0.000 0.411 124 G N 1.590 110.392 108.800 0.003 0.000 2.241 124 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.244 124 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.244 124 G C 0.816 175.729 174.900 0.021 0.000 0.998 124 G CA 0.220 45.328 45.100 0.012 0.000 0.621 124 G HN 0.688 nan 8.290 nan 0.000 0.519 125 A N -0.204 122.626 122.820 0.016 0.000 2.072 125 A HA 0.775 5.095 4.320 -0.000 0.000 0.216 125 A C 1.306 178.916 177.584 0.043 0.000 1.156 125 A CA 1.980 54.036 52.037 0.032 0.000 0.701 125 A CB -0.112 18.905 19.000 0.029 0.000 0.816 125 A HN 2.262 nan 8.150 nan 0.000 0.458 126 A N -0.702 122.109 122.820 -0.015 0.000 2.574 126 A HA 0.523 4.843 4.320 -0.000 0.000 0.297 126 A C -1.693 175.780 177.584 -0.186 0.000 1.062 126 A CA -0.456 51.514 52.037 -0.112 0.000 0.686 126 A CB 0.793 19.608 19.000 -0.307 0.000 1.285 126 A HN 0.005 nan 8.150 nan 0.000 0.403 127 D N 1.505 121.781 120.400 -0.207 0.000 2.483 127 D HA 0.370 5.010 4.640 -0.000 0.000 0.220 127 D C 0.820 176.997 176.300 -0.207 0.000 1.173 127 D CA 0.643 54.584 54.000 -0.098 0.000 0.964 127 D CB -0.554 40.296 40.800 0.083 0.000 1.046 127 D HN 0.592 nan 8.370 nan 0.000 0.517 128 K N 0.677 120.978 120.400 -0.166 0.000 10.669 128 K HA -0.250 4.069 4.320 -0.000 0.000 0.523 128 K C -0.044 176.464 176.600 -0.155 0.000 0.380 128 K CA 1.129 57.353 56.287 -0.105 0.000 1.946 128 K CB -0.978 31.515 32.500 -0.011 0.000 0.755 128 K HN 0.427 nan 8.250 nan 0.000 1.190 129 L N 0.742 121.834 121.223 -0.219 0.000 2.614 129 L HA 0.473 4.813 4.340 -0.000 0.000 0.264 129 L C -1.645 175.203 176.870 -0.036 0.000 0.940 129 L CA -0.790 53.997 54.840 -0.088 0.000 0.903 129 L CB 1.226 43.351 42.059 0.110 0.000 1.306 129 L HN 0.095 nan 8.230 nan 0.000 0.410 130 F N 4.539 124.561 119.950 0.120 0.000 2.522 130 F HA 0.677 5.204 4.527 -0.000 0.000 0.324 130 F C 0.090 175.906 175.800 0.027 0.000 1.077 130 F CA -1.185 56.860 58.000 0.074 0.000 0.944 130 F CB 1.916 40.945 39.000 0.048 0.000 1.175 130 F HN 0.116 nan 8.300 nan 0.000 0.468 131 I N 2.087 122.768 120.570 0.186 0.000 2.582 131 I HA 0.330 4.499 4.170 -0.000 0.000 0.292 131 I C -0.791 175.349 176.117 0.038 0.000 1.066 131 I CA -0.748 60.508 61.300 -0.074 0.000 1.053 131 I CB 2.229 40.091 38.000 -0.229 0.000 1.241 131 I HN 0.501 nan 8.210 nan 0.000 0.421 132 N N 3.755 122.422 118.700 -0.055 0.000 2.342 132 N HA 0.509 5.248 4.740 -0.000 0.000 0.293 132 N C -1.287 174.204 175.510 -0.032 0.000 1.026 132 N CA -0.156 52.889 53.050 -0.008 0.000 0.857 132 N CB 2.231 40.697 38.487 -0.036 0.000 1.256 132 N HN 0.739 nan 8.380 nan 0.000 0.484 133 T N -0.013 114.571 114.554 0.049 0.000 2.863 133 T HA 0.832 5.181 4.350 -0.000 0.000 0.285 133 T C -0.547 174.150 174.700 -0.005 0.000 1.009 133 T CA -0.866 61.235 62.100 0.002 0.000 0.989 133 T CB 1.783 70.647 68.868 -0.007 0.000 1.004 133 T HN 0.522 nan 8.240 nan 0.000 0.455 134 A N 1.233 124.048 122.820 -0.009 0.000 2.365 134 A HA 1.003 5.323 4.320 -0.000 0.000 0.318 134 A C 0.062 177.677 177.584 0.052 0.000 1.091 134 A CA -0.664 51.368 52.037 -0.007 0.000 0.763 134 A CB 1.579 20.618 19.000 0.064 0.000 1.248 134 A HN 1.466 nan 8.150 nan 0.000 0.442 135 G N 0.372 109.207 108.800 0.059 0.000 2.660 135 G HA2 0.718 4.677 3.960 -0.000 0.000 0.294 135 G HA3 0.718 4.677 3.960 -0.000 0.000 0.294 135 G C -0.805 174.199 174.900 0.173 0.000 1.369 135 G CA -0.367 44.784 45.100 0.084 0.000 0.912 135 G HN 1.459 nan 8.290 nan 0.000 0.479 136 M N 0.342 120.023 119.600 0.135 0.000 2.520 136 M HA 0.887 5.366 4.480 -0.000 0.000 0.283 136 M C -0.479 175.830 176.300 0.016 0.000 1.237 136 M CA -0.781 54.603 55.300 0.140 0.000 0.885 136 M CB 2.413 35.119 32.600 0.177 0.000 1.727 136 M HN 1.204 nan 8.290 nan 0.000 0.468 137 G N 0.645 109.448 108.800 0.005 0.000 2.660 137 G HA2 0.762 4.722 3.960 -0.000 0.000 0.290 137 G HA3 0.762 4.722 3.960 -0.000 0.000 0.290 137 G C -2.131 172.749 174.900 -0.034 0.000 1.432 137 G CA -0.539 44.526 45.100 -0.058 0.000 0.807 137 G HN 1.059 nan 8.290 nan 0.000 0.485 138 A N 0.178 122.965 122.820 -0.055 0.000 2.301 138 A HA 0.718 5.037 4.320 -0.000 0.000 0.298 138 A C 0.125 177.665 177.584 -0.073 0.000 1.185 138 A CA -0.518 51.490 52.037 -0.049 0.000 0.830 138 A CB 0.169 19.142 19.000 -0.045 0.000 1.112 138 A HN 0.620 nan 8.150 nan 0.000 0.508 139 I N 3.855 124.378 120.570 -0.078 0.000 2.396 139 I HA 0.207 4.377 4.170 -0.000 0.000 0.289 139 I C -2.123 173.899 176.117 -0.159 0.000 1.056 139 I CA -1.843 59.380 61.300 -0.130 0.000 1.365 139 I CB 1.216 39.142 38.000 -0.123 0.000 1.407 139 I HN 0.404 nan 8.210 nan 0.000 0.509 140 P HA 0.038 nan 4.420 nan 0.000 0.268 140 P C 0.709 177.859 177.300 -0.249 0.000 1.205 140 P CA 0.025 63.006 63.100 -0.199 0.000 0.771 140 P CB 0.516 32.087 31.700 -0.216 0.000 0.858 141 T N 1.070 115.515 114.554 -0.183 0.000 2.778 141 T HA -0.167 4.182 4.350 -0.000 0.000 0.269 141 T C 1.286 175.804 174.700 -0.304 0.000 1.050 141 T CA 1.973 63.968 62.100 -0.175 0.000 1.137 141 T CB -0.760 68.062 68.868 -0.077 0.000 0.860 141 T HN 0.615 nan 8.240 nan 0.000 0.468 142 N N 0.908 119.432 118.700 -0.293 0.000 2.412 142 N HA 0.045 4.785 4.740 -0.000 0.000 0.184 142 N C 0.235 175.457 175.510 -0.480 0.000 1.101 142 N CA 0.138 53.015 53.050 -0.288 0.000 0.881 142 N CB -0.408 37.993 38.487 -0.144 0.000 0.969 142 N HN 0.376 nan 8.380 nan 0.000 0.459 143 I N 1.531 121.704 120.570 -0.663 0.000 2.304 143 I HA 0.119 4.289 4.170 -0.000 0.000 0.291 143 I C -0.267 175.342 176.117 -0.847 0.000 1.018 143 I CA -0.456 60.371 61.300 -0.788 0.000 1.260 143 I CB 0.535 37.971 38.000 -0.940 0.000 1.390 143 I HN 0.102 nan 8.210 nan 0.000 0.475 144 H N 5.992 124.868 119.070 -0.323 0.000 2.336 144 H HA 0.187 4.743 4.556 -0.000 0.000 0.230 144 H C -1.131 174.243 175.328 0.076 0.000 1.426 144 H CA -0.524 55.459 56.048 -0.109 0.000 1.359 144 H CB 0.257 29.994 29.762 -0.043 0.000 1.555 144 H HN 0.459 nan 8.280 nan 0.000 0.512 145 W N 1.364 122.694 121.300 0.050 0.000 2.331 145 W HA 0.552 5.212 4.660 -0.001 0.000 0.306 145 W C 0.636 177.157 176.519 0.003 0.000 1.162 145 W CA -0.778 56.573 57.345 0.010 0.000 1.232 145 W CB 1.473 30.931 29.460 -0.004 0.000 1.235 145 W HN 0.539 nan 8.180 nan 0.000 0.479 146 G N 0.412 109.314 108.800 0.171 0.000 2.655 146 G HA2 0.465 4.425 3.960 -0.000 0.000 0.296 146 G HA3 0.465 4.425 3.960 -0.000 0.000 0.296 146 G C -0.044 174.810 174.900 -0.076 0.000 1.485 146 G CA -0.221 44.913 45.100 0.056 0.000 0.869 146 G HN 0.474 nan 8.290 nan 0.000 0.540 147 A N 0.381 123.115 122.820 -0.144 0.000 2.168 147 A HA 0.057 4.377 4.320 -0.000 0.000 0.215 147 A C 1.941 179.429 177.584 -0.160 0.000 1.152 147 A CA 1.549 53.400 52.037 -0.310 0.000 0.716 147 A CB -0.237 18.561 19.000 -0.337 0.000 0.794 147 A HN 0.678 nan 8.150 nan 0.000 0.465 148 Q N -0.395 119.361 119.800 -0.072 0.000 2.291 148 Q HA -0.133 4.206 4.340 -0.000 0.000 0.206 148 Q C 1.951 177.919 176.000 -0.053 0.000 0.976 148 Q CA 1.694 57.470 55.803 -0.044 0.000 0.875 148 Q CB -0.349 28.378 28.738 -0.020 0.000 0.927 148 Q HN 0.885 nan 8.270 nan 0.000 0.450 149 T N -2.096 112.419 114.554 -0.064 0.000 3.113 149 T HA 0.134 4.484 4.350 -0.000 0.000 0.256 149 T C 0.861 175.521 174.700 -0.067 0.000 1.131 149 T CA -0.123 61.947 62.100 -0.050 0.000 1.074 149 T CB -0.091 68.762 68.868 -0.025 0.000 0.944 149 T HN 0.007 nan 8.240 nan 0.000 0.516 150 L N 2.918 124.079 121.223 -0.103 0.000 2.439 150 L HA 0.464 4.804 4.340 -0.000 0.000 0.269 150 L C 0.656 177.488 176.870 -0.064 0.000 1.179 150 L CA -0.373 54.404 54.840 -0.106 0.000 0.828 150 L CB 0.437 42.400 42.059 -0.161 0.000 1.106 150 L HN 0.366 nan 8.230 nan 0.000 0.467 151 T N -1.132 113.391 114.554 -0.051 0.000 2.843 151 T HA 0.640 4.989 4.350 -0.000 0.000 0.302 151 T C -0.400 174.282 174.700 -0.029 0.000 1.232 151 T CA -0.868 61.212 62.100 -0.034 0.000 1.009 151 T CB 1.582 70.433 68.868 -0.027 0.000 1.254 151 T HN 0.685 nan 8.240 nan 0.000 0.504 152 A N 0.042 122.849 122.820 -0.021 0.000 2.567 152 A HA 0.533 4.852 4.320 -0.000 0.000 0.240 152 A C 1.603 179.177 177.584 -0.016 0.000 1.053 152 A CA 0.757 52.783 52.037 -0.017 0.000 0.755 152 A CB -1.316 17.676 19.000 -0.013 0.000 0.978 152 A HN 2.455 nan 8.150 nan 0.000 0.507 153 G N 2.109 110.900 108.800 -0.016 0.000 2.307 153 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.210 153 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.210 153 G C -0.040 174.850 174.900 -0.017 0.000 1.005 153 G CA 0.144 45.236 45.100 -0.014 0.000 0.634 153 G HN 0.792 nan 8.290 nan 0.000 0.496 154 D N 1.475 121.861 120.400 -0.024 0.000 2.423 154 D HA 0.420 5.060 4.640 -0.000 0.000 0.238 154 D C 0.843 177.129 176.300 -0.022 0.000 1.142 154 D CA 0.267 54.249 54.000 -0.030 0.000 0.884 154 D CB 0.865 41.636 40.800 -0.048 0.000 1.199 154 D HN 0.206 nan 8.370 nan 0.000 0.438 155 I N 1.930 122.485 120.570 -0.024 0.000 2.437 155 I HA 0.227 4.397 4.170 -0.000 0.000 0.298 155 I C 0.104 176.216 176.117 -0.009 0.000 0.984 155 I CA -0.719 60.572 61.300 -0.015 0.000 1.214 155 I CB 1.284 39.273 38.000 -0.019 0.000 1.365 155 I HN 0.119 nan 8.210 nan 0.000 0.469 156 L N 6.549 127.775 121.223 0.006 0.000 2.282 156 L HA 0.485 4.824 4.340 -0.000 0.000 0.288 156 L C -0.293 176.578 176.870 0.001 0.000 1.033 156 L CA 0.045 54.900 54.840 0.025 0.000 0.807 156 L CB 1.092 43.178 42.059 0.044 0.000 1.209 156 L HN 0.335 nan 8.230 nan 0.000 0.423 157 L N 3.918 125.137 121.223 -0.007 0.000 2.319 157 L HA 0.765 5.104 4.340 -0.000 0.000 0.267 157 L C -0.646 176.208 176.870 -0.026 0.000 1.011 157 L CA -1.065 53.759 54.840 -0.025 0.000 0.818 157 L CB 2.168 44.197 42.059 -0.051 0.000 1.316 157 L HN 0.264 nan 8.230 nan 0.000 0.432 158 V N 0.202 120.100 119.914 -0.026 0.000 2.864 158 V HA 0.322 4.442 4.120 -0.000 0.000 0.314 158 V C 0.798 176.880 176.094 -0.019 0.000 1.073 158 V CA 0.099 62.384 62.300 -0.026 0.000 0.956 158 V CB 2.403 34.213 31.823 -0.021 0.000 1.023 158 V HN 0.941 nan 8.190 nan 0.000 0.435 159 S N 3.157 118.847 115.700 -0.017 0.000 2.593 159 S HA 0.516 4.986 4.470 -0.000 0.000 0.217 159 S C 0.581 175.200 174.600 0.031 0.000 0.966 159 S CA 0.420 58.617 58.200 -0.005 0.000 0.914 159 S CB -0.030 63.160 63.200 -0.016 0.000 0.776 159 S HN 1.733 nan 8.310 nan 0.000 0.523 160 G N 0.728 109.548 108.800 0.033 0.000 2.427 160 G HA2 0.426 4.386 3.960 -0.000 0.000 0.306 160 G HA3 0.426 4.386 3.960 -0.000 0.000 0.306 160 G C -0.822 174.101 174.900 0.039 0.000 1.280 160 G CA -0.219 44.911 45.100 0.049 0.000 0.837 160 G HN 0.473 nan 8.290 nan 0.000 0.482 161 T N -0.379 114.202 114.554 0.044 0.000 2.918 161 T HA 0.578 4.927 4.350 -0.000 0.000 0.302 161 T C 0.418 175.144 174.700 0.044 0.000 1.045 161 T CA -0.313 61.811 62.100 0.040 0.000 1.114 161 T CB 0.824 69.719 68.868 0.044 0.000 0.965 161 T HN 0.509 nan 8.240 nan 0.000 0.540 162 L N 2.190 123.435 121.223 0.037 0.000 2.325 162 L HA 0.561 4.901 4.340 -0.000 0.000 0.279 162 L C 1.569 178.494 176.870 0.091 0.000 1.054 162 L CA -0.258 54.607 54.840 0.041 0.000 0.804 162 L CB 0.956 43.015 42.059 0.000 0.000 1.200 162 L HN 1.152 nan 8.230 nan 0.000 0.436 163 G N 1.186 110.073 108.800 0.145 0.000 2.159 163 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.256 163 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.256 163 G C 0.593 175.626 174.900 0.223 0.000 0.977 163 G CA 0.312 45.588 45.100 0.293 0.000 0.652 163 G HN 0.788 nan 8.290 nan 0.000 0.531 164 D N -0.284 120.201 120.400 0.142 0.000 2.116 164 D HA -0.156 4.483 4.640 -0.000 0.000 0.193 164 D C 1.671 178.010 176.300 0.065 0.000 0.998 164 D CA 1.826 55.886 54.000 0.100 0.000 0.836 164 D CB -0.076 40.783 40.800 0.098 0.000 0.951 164 D HN 0.656 nan 8.370 nan 0.000 0.449 165 H N 0.440 119.504 119.070 -0.010 0.000 2.299 165 H HA -0.024 4.531 4.556 -0.001 0.000 0.302 165 H C 2.195 177.423 175.328 -0.167 0.000 1.078 165 H CA 2.334 58.330 56.048 -0.086 0.000 1.323 165 H CB -0.585 29.129 29.762 -0.081 0.000 1.381 165 H HN 0.103 nan 8.280 nan 0.000 0.498 166 G N 0.080 108.768 108.800 -0.185 0.000 2.446 166 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.217 166 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.217 166 G C 1.913 176.467 174.900 -0.577 0.000 1.168 166 G CA 1.201 46.073 45.100 -0.379 0.000 0.771 166 G HN 0.633 nan 8.290 nan 0.000 0.551 167 A N 0.110 122.643 122.820 -0.479 0.000 1.902 167 A HA -0.020 4.299 4.320 -0.000 0.000 0.217 167 A C 2.533 179.954 177.584 -0.272 0.000 1.181 167 A CA 2.473 54.266 52.037 -0.407 0.000 0.623 167 A CB -0.980 17.959 19.000 -0.101 0.000 0.818 167 A HN 0.308 nan 8.150 nan 0.000 0.443 168 T N 0.534 114.949 114.554 -0.232 0.000 2.684 168 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 168 T C 1.779 176.334 174.700 -0.241 0.000 1.036 168 T CA 1.581 63.572 62.100 -0.182 0.000 1.148 168 T CB -0.286 68.501 68.868 -0.135 0.000 0.863 168 T HN 0.324 nan 8.240 nan 0.000 0.436 169 I N 0.888 121.214 120.570 -0.407 0.000 2.286 169 I HA -0.016 4.154 4.170 -0.000 0.000 0.245 169 I C 2.350 178.314 176.117 -0.255 0.000 1.104 169 I CA 1.038 62.116 61.300 -0.370 0.000 1.397 169 I CB -1.376 36.310 38.000 -0.523 0.000 1.072 169 I HN 0.255 nan 8.210 nan 0.000 0.417 170 L N 0.803 121.847 121.223 -0.298 0.000 2.079 170 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 170 L C 2.344 179.123 176.870 -0.152 0.000 1.081 170 L CA 1.680 56.378 54.840 -0.236 0.000 0.752 170 L CB -0.718 41.146 42.059 -0.326 0.000 0.896 170 L HN 0.319 nan 8.230 nan 0.000 0.433 171 N N 0.172 118.787 118.700 -0.142 0.000 2.166 171 N HA -0.186 4.554 4.740 -0.000 0.000 0.186 171 N C 1.774 177.253 175.510 -0.051 0.000 1.019 171 N CA 1.370 54.373 53.050 -0.078 0.000 0.856 171 N CB -0.080 38.372 38.487 -0.059 0.000 0.993 171 N HN 0.240 nan 8.380 nan 0.000 0.426 172 L N -0.454 120.736 121.223 -0.056 0.000 2.095 172 L HA 0.041 4.381 4.340 -0.000 0.000 0.204 172 L C 2.537 179.395 176.870 -0.020 0.000 1.080 172 L CA 0.607 55.436 54.840 -0.019 0.000 0.759 172 L CB -0.207 41.854 42.059 0.004 0.000 0.914 172 L HN 0.149 nan 8.230 nan 0.000 0.439 173 R N 0.139 120.612 120.500 -0.045 0.000 2.075 173 R HA -0.040 4.300 4.340 -0.000 0.000 0.226 173 R C 1.619 177.900 176.300 -0.030 0.000 1.114 173 R CA 0.961 57.040 56.100 -0.036 0.000 0.972 173 R CB -0.179 30.088 30.300 -0.056 0.000 0.869 173 R HN 0.453 nan 8.270 nan 0.000 0.437 174 E N 0.854 121.028 120.200 -0.042 0.000 2.479 174 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 174 E C -0.447 176.141 176.600 -0.020 0.000 1.049 174 E CA -0.145 56.237 56.400 -0.030 0.000 0.870 174 E CB 0.279 29.956 29.700 -0.037 0.000 0.944 174 E HN 0.189 nan 8.360 nan 0.000 0.492 175 Q N 0.146 119.935 119.800 -0.018 0.000 2.457 175 Q HA -0.180 4.160 4.340 -0.000 0.000 0.333 175 Q C 0.308 176.303 176.000 -0.008 0.000 1.448 175 Q CA 0.052 55.850 55.803 -0.009 0.000 0.891 175 Q CB -1.548 27.189 28.738 -0.002 0.000 1.142 175 Q HN 0.354 nan 8.270 nan 0.000 0.375 176 L N -1.047 120.168 121.223 -0.013 0.000 2.591 176 L HA 0.143 4.483 4.340 -0.000 0.000 0.228 176 L C 1.594 178.463 176.870 -0.002 0.000 1.133 176 L CA 0.637 55.471 54.840 -0.009 0.000 0.880 176 L CB -0.035 42.015 42.059 -0.016 0.000 1.033 176 L HN 0.772 nan 8.230 nan 0.000 0.450 177 G N 0.575 109.375 108.800 -0.001 0.000 2.148 177 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 177 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 177 G C 0.452 175.355 174.900 0.005 0.000 0.981 177 G CA 0.135 45.237 45.100 0.003 0.000 0.670 177 G HN 0.353 nan 8.290 nan 0.000 0.528 178 L N 0.748 121.973 121.223 0.004 0.000 3.017 178 L HA 0.294 4.634 4.340 -0.000 0.000 0.255 178 L C -0.006 176.870 176.870 0.010 0.000 1.247 178 L CA -0.847 53.997 54.840 0.007 0.000 1.038 178 L CB 0.186 42.248 42.059 0.005 0.000 1.380 178 L HN -0.003 nan 8.230 nan 0.000 0.548 179 D N 1.340 121.748 120.400 0.012 0.000 2.488 179 D HA 0.231 4.871 4.640 -0.000 0.000 0.238 179 D C 1.329 177.641 176.300 0.020 0.000 1.138 179 D CA 1.459 55.471 54.000 0.019 0.000 0.873 179 D CB 1.208 42.020 40.800 0.020 0.000 1.183 179 D HN 0.356 nan 8.370 nan 0.000 0.458 180 G N 2.130 110.946 108.800 0.026 0.000 2.175 180 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.244 180 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.244 180 G C 0.969 175.884 174.900 0.026 0.000 0.982 180 G CA 0.399 45.514 45.100 0.026 0.000 0.641 180 G HN 0.487 nan 8.290 nan 0.000 0.527 181 E N -0.766 119.449 120.200 0.025 0.000 2.465 181 E HA 0.497 4.847 4.350 -0.000 0.000 0.209 181 E C 0.742 177.359 176.600 0.029 0.000 0.951 181 E CA 0.253 56.667 56.400 0.024 0.000 0.997 181 E CB 0.344 30.056 29.700 0.020 0.000 1.025 181 E HN 0.534 nan 8.360 nan 0.000 0.500 182 L N 0.131 121.372 121.223 0.031 0.000 2.381 182 L HA 0.622 4.961 4.340 -0.000 0.000 0.268 182 L C -1.143 175.760 176.870 0.054 0.000 0.997 182 L CA -1.122 53.738 54.840 0.034 0.000 0.818 182 L CB 2.468 44.533 42.059 0.011 0.000 1.310 182 L HN -0.322 nan 8.230 nan 0.000 0.416 183 V N 0.804 120.759 119.914 0.068 0.000 2.733 183 V HA 0.311 4.431 4.120 -0.000 0.000 0.306 183 V C -0.057 176.114 176.094 0.128 0.000 1.084 183 V CA -0.628 61.734 62.300 0.104 0.000 0.905 183 V CB 1.998 33.876 31.823 0.091 0.000 1.010 183 V HN 0.807 nan 8.190 nan 0.000 0.424 184 S N 2.164 117.986 115.700 0.202 0.000 2.568 184 S HA 0.068 4.537 4.470 -0.000 0.000 0.282 184 S C 0.803 175.528 174.600 0.209 0.000 1.338 184 S CA 0.218 58.577 58.200 0.265 0.000 1.045 184 S CB 0.511 64.016 63.200 0.509 0.000 0.873 184 S HN 0.972 nan 8.310 nan 0.000 0.516 185 D N 2.059 122.563 120.400 0.173 0.000 2.368 185 D HA 0.008 4.648 4.640 -0.000 0.000 0.218 185 D C 0.657 177.008 176.300 0.086 0.000 1.112 185 D CA -0.385 53.682 54.000 0.112 0.000 0.834 185 D CB -1.253 39.600 40.800 0.089 0.000 0.953 185 D HN 0.372 nan 8.370 nan 0.000 0.505 186 C N 1.438 120.803 119.300 0.108 0.000 2.409 186 C HA 0.448 4.908 4.460 -0.000 0.000 0.399 186 C C 0.488 175.505 174.990 0.045 0.000 1.505 186 C CA 0.272 59.325 59.018 0.058 0.000 1.435 186 C CB -2.251 25.580 27.740 0.150 0.000 2.462 186 C HN 0.535 nan 8.230 nan 0.000 0.619 187 A N 5.377 128.208 122.820 0.017 0.000 2.604 187 A HA 0.616 4.935 4.320 -0.000 0.000 0.295 187 A C -0.922 176.664 177.584 0.004 0.000 1.067 187 A CA -0.481 51.568 52.037 0.021 0.000 0.683 187 A CB 0.872 19.896 19.000 0.039 0.000 1.281 187 A HN 0.855 nan 8.150 nan 0.000 0.407 188 V N 2.555 122.472 119.914 0.005 0.000 2.439 188 V HA 0.123 4.243 4.120 -0.000 0.000 0.271 188 V C 0.850 176.941 176.094 -0.005 0.000 1.040 188 V CA 0.336 62.633 62.300 -0.005 0.000 1.002 188 V CB 0.550 32.370 31.823 -0.006 0.000 1.000 188 V HN 0.725 nan 8.190 nan 0.000 0.477 189 L N 3.658 124.872 121.223 -0.015 0.000 2.592 189 L HA 0.031 4.370 4.340 -0.000 0.000 0.227 189 L C 2.186 179.023 176.870 -0.054 0.000 1.127 189 L CA 0.156 54.976 54.840 -0.034 0.000 0.884 189 L CB -0.420 41.623 42.059 -0.027 0.000 1.065 189 L HN 0.746 nan 8.230 nan 0.000 0.457 190 T N 0.779 115.312 114.554 -0.035 0.000 2.653 190 T HA -0.148 4.201 4.350 -0.000 0.000 0.268 190 T C -0.474 174.188 174.700 -0.062 0.000 1.035 190 T CA 1.645 63.727 62.100 -0.031 0.000 1.154 190 T CB -1.092 67.763 68.868 -0.023 0.000 0.862 190 T HN 0.258 nan 8.240 nan 0.000 0.441 191 P HA 0.031 nan 4.420 nan 0.000 0.218 191 P C 1.660 178.736 177.300 -0.374 0.000 1.149 191 P CA 0.636 63.648 63.100 -0.147 0.000 0.817 191 P CB -0.170 31.499 31.700 -0.052 0.000 0.785 192 L N -1.117 119.822 121.223 -0.472 0.000 2.109 192 L HA -0.096 4.243 4.340 -0.000 0.000 0.207 192 L C 2.168 178.942 176.870 -0.160 0.000 1.086 192 L CA 1.520 56.112 54.840 -0.414 0.000 0.760 192 L CB -0.463 41.434 42.059 -0.271 0.000 0.910 192 L HN -0.059 nan 8.230 nan 0.000 0.437 193 I N -0.791 119.729 120.570 -0.083 0.000 2.439 193 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 193 I C 2.390 178.560 176.117 0.089 0.000 1.139 193 I CA 0.595 61.908 61.300 0.022 0.000 1.438 193 I CB -0.167 37.880 38.000 0.077 0.000 1.085 193 I HN 0.300 nan 8.210 nan 0.000 0.427 194 Q N -0.047 119.773 119.800 0.034 0.000 2.297 194 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 194 Q C 2.220 178.249 176.000 0.047 0.000 0.962 194 Q CA 1.193 57.024 55.803 0.046 0.000 0.879 194 Q CB -0.633 28.114 28.738 0.014 0.000 0.947 194 Q HN 0.384 nan 8.270 nan 0.000 0.462 195 T N 1.131 115.697 114.554 0.020 0.000 2.803 195 T HA -0.079 4.270 4.350 -0.000 0.000 0.269 195 T C 1.677 176.406 174.700 0.047 0.000 1.052 195 T CA 0.878 62.995 62.100 0.029 0.000 1.136 195 T CB 0.000 68.871 68.868 0.004 0.000 0.864 195 T HN 0.209 nan 8.240 nan 0.000 0.467 196 L N -0.093 121.173 121.223 0.071 0.000 2.513 196 L HA 0.274 4.614 4.340 -0.000 0.000 0.222 196 L C 2.591 179.612 176.870 0.252 0.000 1.096 196 L CA 0.164 55.061 54.840 0.095 0.000 0.857 196 L CB -0.334 41.719 42.059 -0.009 0.000 1.026 196 L HN 0.035 nan 8.230 nan 0.000 0.469 197 R N 0.721 121.379 120.500 0.262 0.000 2.148 197 R HA -0.139 4.201 4.340 -0.000 0.000 0.227 197 R C 1.129 177.494 176.300 0.108 0.000 1.103 197 R CA 1.356 57.579 56.100 0.205 0.000 0.983 197 R CB 0.036 30.384 30.300 0.080 0.000 0.874 197 R HN 0.328 nan 8.270 nan 0.000 0.451 198 D N 0.195 120.645 120.400 0.085 0.000 2.249 198 D HA 0.026 4.665 4.640 -0.000 0.000 0.205 198 D C 0.669 177.000 176.300 0.052 0.000 0.962 198 D CA 0.581 54.613 54.000 0.052 0.000 0.860 198 D CB 0.444 41.269 40.800 0.041 0.000 0.955 198 D HN 0.232 nan 8.370 nan 0.000 0.505 199 I N 1.804 122.412 120.570 0.064 0.000 2.441 199 I HA 0.226 4.396 4.170 -0.000 0.000 0.295 199 I C -2.242 173.915 176.117 0.066 0.000 0.994 199 I CA -2.365 58.966 61.300 0.050 0.000 1.144 199 I CB 2.330 40.350 38.000 0.034 0.000 1.314 199 I HN -0.247 nan 8.210 nan 0.000 0.445 200 P HA 0.302 nan 4.420 nan 0.000 0.274 200 P C 0.185 177.514 177.300 0.050 0.000 1.256 200 P CA 0.245 63.383 63.100 0.064 0.000 0.795 200 P CB 1.111 32.838 31.700 0.044 0.000 1.038 201 G N -1.256 107.578 108.800 0.057 0.000 2.380 201 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.197 201 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.197 201 G C -0.180 174.713 174.900 -0.012 0.000 1.001 201 G CA -0.155 44.955 45.100 0.018 0.000 0.668 201 G HN 0.534 nan 8.290 nan 0.000 0.483 202 V N 1.621 121.527 119.914 -0.014 0.000 2.572 202 V HA 0.393 4.513 4.120 -0.000 0.000 0.291 202 V C 1.258 177.288 176.094 -0.106 0.000 1.039 202 V CA 1.111 63.301 62.300 -0.184 0.000 1.055 202 V CB 1.463 32.996 31.823 -0.484 0.000 0.969 202 V HN 0.402 nan 8.190 nan 0.000 0.482 203 K N 2.765 123.060 120.400 -0.176 0.000 2.424 203 K HA 0.539 4.859 4.320 -0.000 0.000 0.198 203 K C 0.288 176.814 176.600 -0.124 0.000 1.190 203 K CA 0.582 56.829 56.287 -0.066 0.000 0.935 203 K CB 1.120 33.574 32.500 -0.077 0.000 1.087 203 K HN 0.733 nan 8.250 nan 0.000 0.524 204 A N 1.310 123.959 122.820 -0.286 0.000 2.520 204 A HA 0.675 4.995 4.320 -0.000 0.000 0.298 204 A C -2.052 175.398 177.584 -0.224 0.000 1.051 204 A CA -0.603 51.263 52.037 -0.284 0.000 0.690 204 A CB 1.580 20.219 19.000 -0.602 0.000 1.281 204 A HN 0.070 nan 8.150 nan 0.000 0.402 205 L N 1.532 122.708 121.223 -0.078 0.000 2.464 205 L HA 0.833 5.173 4.340 -0.000 0.000 0.266 205 L C -0.931 176.008 176.870 0.115 0.000 0.965 205 L CA -0.126 54.680 54.840 -0.056 0.000 0.833 205 L CB 1.770 43.616 42.059 -0.355 0.000 1.296 205 L HN 0.794 nan 8.230 nan 0.000 0.405 206 R N 2.294 122.856 120.500 0.103 0.000 2.604 206 R HA 0.412 4.751 4.340 -0.000 0.000 0.270 206 R C -1.628 174.666 176.300 -0.009 0.000 1.052 206 R CA -0.767 55.372 56.100 0.064 0.000 0.902 206 R CB 2.128 32.462 30.300 0.056 0.000 1.233 206 R HN 0.843 nan 8.270 nan 0.000 0.455 207 D N 0.539 120.933 120.400 -0.010 0.000 2.354 207 D HA 0.366 5.006 4.640 -0.000 0.000 0.247 207 D C -0.380 175.890 176.300 -0.049 0.000 1.138 207 D CA -0.607 53.376 54.000 -0.027 0.000 0.958 207 D CB 1.048 41.838 40.800 -0.016 0.000 1.144 207 D HN 0.469 nan 8.370 nan 0.000 0.458 208 A N 0.724 123.516 122.820 -0.047 0.000 3.105 208 A HA 0.461 4.781 4.320 -0.000 0.000 0.336 208 A C 0.743 178.308 177.584 -0.032 0.000 1.042 208 A CA -0.281 51.723 52.037 -0.055 0.000 0.851 208 A CB -0.422 18.542 19.000 -0.059 0.000 1.068 208 A HN 0.646 nan 8.150 nan 0.000 0.477 209 T N -1.096 113.437 114.554 -0.036 0.000 3.203 209 T HA 0.195 4.544 4.350 -0.000 0.000 0.183 209 T C 0.989 175.677 174.700 -0.019 0.000 0.730 209 T CA -0.039 62.044 62.100 -0.029 0.000 2.473 209 T CB -0.419 68.423 68.868 -0.042 0.000 2.163 209 T HN 0.570 nan 8.240 nan 0.000 0.381 210 R N 1.699 122.177 120.500 -0.037 0.000 2.504 210 R HA 0.294 4.634 4.340 -0.000 0.000 0.291 210 R C 1.267 177.546 176.300 -0.034 0.000 0.974 210 R CA 1.119 57.196 56.100 -0.038 0.000 1.077 210 R CB -0.654 29.607 30.300 -0.065 0.000 0.926 210 R HN 1.076 nan 8.270 nan 0.000 0.407 211 G N 2.446 111.234 108.800 -0.019 0.000 2.205 211 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.261 211 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.261 211 G C 0.727 175.619 174.900 -0.013 0.000 0.980 211 G CA 0.186 45.272 45.100 -0.023 0.000 0.632 211 G HN 1.515 nan 8.290 nan 0.000 0.533 212 G N -1.431 107.369 108.800 -0.001 0.000 2.601 212 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.261 212 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.261 212 G C 1.509 176.385 174.900 -0.040 0.000 1.289 212 G CA 2.384 47.485 45.100 0.001 0.000 0.920 212 G HN 1.929 nan 8.290 nan 0.000 0.571 213 V N 0.074 119.958 119.914 -0.049 0.000 2.871 213 V HA -0.003 4.116 4.120 -0.000 0.000 0.256 213 V C 2.279 178.327 176.094 -0.077 0.000 1.082 213 V CA 2.570 64.818 62.300 -0.086 0.000 1.105 213 V CB -0.481 31.288 31.823 -0.089 0.000 0.713 213 V HN 0.896 nan 8.190 nan 0.000 0.473 214 N N 1.697 120.378 118.700 -0.031 0.000 2.104 214 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 214 N C 1.820 177.390 175.510 0.099 0.000 1.024 214 N CA 2.298 55.374 53.050 0.043 0.000 0.853 214 N CB -0.526 37.978 38.487 0.029 0.000 1.008 214 N HN 0.637 nan 8.380 nan 0.000 0.424 215 A N -0.008 122.813 122.820 0.002 0.000 1.898 215 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 215 A C 2.525 180.085 177.584 -0.040 0.000 1.181 215 A CA 1.549 53.576 52.037 -0.016 0.000 0.620 215 A CB -0.803 18.168 19.000 -0.048 0.000 0.819 215 A HN 0.161 nan 8.150 nan 0.000 0.442 216 V N -0.467 119.365 119.914 -0.137 0.000 2.343 216 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 216 V C 2.541 178.370 176.094 -0.442 0.000 1.051 216 V CA 1.923 64.030 62.300 -0.322 0.000 1.036 216 V CB -0.692 30.868 31.823 -0.439 0.000 0.654 216 V HN 0.362 nan 8.190 nan 0.000 0.451 217 V N -0.485 119.259 119.914 -0.283 0.000 2.358 217 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 217 V C 2.311 178.346 176.094 -0.098 0.000 1.047 217 V CA 2.164 64.335 62.300 -0.215 0.000 1.035 217 V CB -0.787 30.948 31.823 -0.148 0.000 0.658 217 V HN 0.613 nan 8.190 nan 0.000 0.452 218 H N 0.076 119.109 119.070 -0.062 0.000 2.387 218 H HA -0.130 4.426 4.556 -0.001 0.000 0.299 218 H C 2.352 177.693 175.328 0.021 0.000 1.090 218 H CA 1.856 57.896 56.048 -0.012 0.000 1.332 218 H CB 0.015 29.764 29.762 -0.022 0.000 1.386 218 H HN 0.508 nan 8.280 nan 0.000 0.516 219 E N -0.272 120.003 120.200 0.124 0.000 2.051 219 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 219 E C 1.548 178.291 176.600 0.239 0.000 0.991 219 E CA 0.890 57.370 56.400 0.133 0.000 0.799 219 E CB -0.094 29.660 29.700 0.090 0.000 0.748 219 E HN 0.300 nan 8.360 nan 0.000 0.449 220 F N 0.949 120.901 119.950 0.004 0.000 2.091 220 F HA -0.209 4.318 4.527 -0.001 0.000 0.299 220 F C 2.417 178.204 175.800 -0.021 0.000 1.103 220 F CA 1.134 59.126 58.000 -0.014 0.000 1.228 220 F CB -1.263 37.718 39.000 -0.030 0.000 0.984 220 F HN 0.028 nan 8.300 nan 0.000 0.477 221 A N -0.286 122.633 122.820 0.165 0.000 1.902 221 A HA -0.040 4.279 4.320 -0.000 0.000 0.217 221 A C 2.441 180.057 177.584 0.054 0.000 1.181 221 A CA 1.963 54.035 52.037 0.060 0.000 0.623 221 A CB -1.194 17.794 19.000 -0.020 0.000 0.818 221 A HN 0.305 nan 8.150 nan 0.000 0.443 222 A N -0.458 122.407 122.820 0.076 0.000 1.968 222 A HA 0.302 4.621 4.320 -0.000 0.000 0.217 222 A C 2.442 180.056 177.584 0.050 0.000 1.169 222 A CA 1.680 53.753 52.037 0.061 0.000 0.638 222 A CB -0.812 18.230 19.000 0.071 0.000 0.812 222 A HN 0.922 nan 8.150 nan 0.000 0.446 223 A N -0.161 122.697 122.820 0.063 0.000 1.855 223 A HA -0.015 4.305 4.320 -0.000 0.000 0.215 223 A C 1.762 179.351 177.584 0.008 0.000 1.191 223 A CA 1.294 53.354 52.037 0.037 0.000 0.613 223 A CB -1.483 17.544 19.000 0.045 0.000 0.829 223 A HN 1.056 nan 8.150 nan 0.000 0.442 224 C N -2.820 116.477 119.300 -0.005 0.000 2.517 224 C HA 0.728 5.188 4.460 -0.000 0.000 0.357 224 C C 1.582 176.569 174.990 -0.006 0.000 1.485 224 C CA -0.206 58.800 59.018 -0.020 0.000 2.148 224 C CB 0.212 27.925 27.740 -0.045 0.000 2.019 224 C HN 0.577 nan 8.230 nan 0.000 0.576 225 G N -0.707 108.087 108.800 -0.010 0.000 3.518 225 G HA2 0.462 4.421 3.960 -0.000 0.000 0.273 225 G HA3 0.462 4.421 3.960 -0.000 0.000 0.273 225 G C 0.039 174.936 174.900 -0.005 0.000 1.199 225 G CA -0.019 45.078 45.100 -0.004 0.000 0.899 225 G HN 0.920 nan 8.290 nan 0.000 0.533 226 C N -1.385 117.912 119.300 -0.005 0.000 3.044 226 C HA 0.891 5.351 4.460 -0.000 0.000 0.315 226 C C 0.904 175.888 174.990 -0.009 0.000 1.320 226 C CA -0.771 58.241 59.018 -0.009 0.000 1.582 226 C CB 1.439 29.170 27.740 -0.014 0.000 2.039 226 C HN 0.400 nan 8.230 nan 0.000 0.466 227 G N -0.119 108.672 108.800 -0.014 0.000 2.488 227 G HA2 0.754 4.714 3.960 -0.000 0.000 0.318 227 G HA3 0.754 4.714 3.960 -0.000 0.000 0.318 227 G C -1.187 173.698 174.900 -0.025 0.000 1.188 227 G CA -0.357 44.728 45.100 -0.025 0.000 0.944 227 G HN 0.685 nan 8.290 nan 0.000 0.495 228 I N 0.150 120.694 120.570 -0.044 0.000 2.533 228 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 228 I C -0.790 175.297 176.117 -0.049 0.000 1.056 228 I CA -0.486 60.792 61.300 -0.036 0.000 1.057 228 I CB 2.534 40.516 38.000 -0.029 0.000 1.240 228 I HN 0.447 nan 8.210 nan 0.000 0.423 229 E N 6.805 126.986 120.200 -0.032 0.000 2.176 229 E HA 0.592 4.942 4.350 -0.000 0.000 0.267 229 E C -1.105 175.478 176.600 -0.028 0.000 0.893 229 E CA -0.592 55.789 56.400 -0.031 0.000 0.761 229 E CB 2.860 32.547 29.700 -0.021 0.000 1.133 229 E HN 0.406 nan 8.360 nan 0.000 0.409 230 I N 1.740 122.290 120.570 -0.033 0.000 2.441 230 I HA 0.171 4.340 4.170 -0.000 0.000 0.295 230 I C 0.047 176.146 176.117 -0.029 0.000 0.994 230 I CA -0.651 60.630 61.300 -0.032 0.000 1.144 230 I CB 1.985 39.961 38.000 -0.040 0.000 1.314 230 I HN 0.350 nan 8.210 nan 0.000 0.445 231 S N 4.697 120.382 115.700 -0.026 0.000 2.465 231 S HA 0.125 4.594 4.470 -0.000 0.000 0.279 231 S C 0.972 175.552 174.600 -0.032 0.000 1.201 231 S CA -0.387 57.797 58.200 -0.026 0.000 1.053 231 S CB 0.830 64.019 63.200 -0.019 0.000 0.953 231 S HN 0.771 nan 8.310 nan 0.000 0.488 232 E N 3.502 123.678 120.200 -0.040 0.000 2.077 232 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 232 E C 1.759 178.334 176.600 -0.043 0.000 0.989 232 E CA 1.573 57.945 56.400 -0.047 0.000 0.800 232 E CB -0.165 29.501 29.700 -0.057 0.000 0.746 232 E HN 0.862 nan 8.360 nan 0.000 0.452 233 S N -0.251 115.425 115.700 -0.040 0.000 2.515 233 S HA 0.062 4.532 4.470 -0.000 0.000 0.231 233 S C 1.873 176.460 174.600 -0.021 0.000 0.987 233 S CA 0.599 58.780 58.200 -0.032 0.000 0.936 233 S CB 0.326 63.506 63.200 -0.032 0.000 0.766 233 S HN 0.344 nan 8.310 nan 0.000 0.528 234 A N 1.143 123.951 122.820 -0.019 0.000 2.132 234 A HA 0.440 4.759 4.320 -0.000 0.000 0.213 234 A C 0.890 178.467 177.584 -0.010 0.000 1.154 234 A CA -0.192 51.839 52.037 -0.010 0.000 0.753 234 A CB -0.449 18.546 19.000 -0.008 0.000 0.826 234 A HN 0.547 nan 8.150 nan 0.000 0.469 235 L N 2.215 123.426 121.223 -0.020 0.000 2.534 235 L HA 0.170 4.510 4.340 -0.000 0.000 0.271 235 L C -2.141 174.721 176.870 -0.013 0.000 1.178 235 L CA -1.295 53.532 54.840 -0.021 0.000 0.907 235 L CB 0.191 42.227 42.059 -0.037 0.000 1.164 235 L HN 0.162 nan 8.230 nan 0.000 0.482 236 P HA 0.245 nan 4.420 nan 0.000 0.287 236 P C -0.938 176.367 177.300 0.008 0.000 1.294 236 P CA -0.207 62.898 63.100 0.008 0.000 0.776 236 P CB 1.438 33.151 31.700 0.021 0.000 0.889 237 V N 4.366 124.285 119.914 0.007 0.000 2.569 237 V HA 0.257 4.377 4.120 -0.000 0.000 0.301 237 V C 0.497 176.605 176.094 0.023 0.000 1.044 237 V CA -0.916 61.392 62.300 0.014 0.000 0.874 237 V CB 2.071 33.892 31.823 -0.002 0.000 1.002 237 V HN 0.410 nan 8.190 nan 0.000 0.424 238 K N 4.726 125.148 120.400 0.036 0.000 2.414 238 K HA 0.134 4.454 4.320 -0.000 0.000 0.272 238 K C -1.570 175.050 176.600 0.033 0.000 0.993 238 K CA -1.141 55.167 56.287 0.035 0.000 0.964 238 K CB 1.001 33.526 32.500 0.043 0.000 0.925 238 K HN 0.335 nan 8.250 nan 0.000 0.487 239 P HA -0.274 nan 4.420 nan 0.000 0.216 239 P C 0.937 178.255 177.300 0.030 0.000 1.157 239 P CA 1.740 64.854 63.100 0.023 0.000 0.880 239 P CB 0.128 31.839 31.700 0.019 0.000 0.791 240 A N -0.980 121.860 122.820 0.034 0.000 1.933 240 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 240 A C 2.307 179.923 177.584 0.053 0.000 1.175 240 A CA 1.778 53.837 52.037 0.037 0.000 0.628 240 A CB -1.631 17.389 19.000 0.033 0.000 0.814 240 A HN 0.065 nan 8.150 nan 0.000 0.444 241 V N -0.001 119.954 119.914 0.069 0.000 2.427 241 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 241 V C 2.521 178.686 176.094 0.118 0.000 1.051 241 V CA 2.039 64.409 62.300 0.116 0.000 1.048 241 V CB -0.854 31.052 31.823 0.137 0.000 0.666 241 V HN 0.539 nan 8.190 nan 0.000 0.456 242 R N 0.555 121.094 120.500 0.065 0.000 2.127 242 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 242 R C 2.440 178.768 176.300 0.047 0.000 1.134 242 R CA 1.435 57.559 56.100 0.040 0.000 0.975 242 R CB -0.756 29.555 30.300 0.019 0.000 0.865 242 R HN 0.587 nan 8.270 nan 0.000 0.447 243 G N 0.407 109.237 108.800 0.050 0.000 2.402 243 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 243 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 243 G C 1.462 176.395 174.900 0.056 0.000 1.162 243 G CA 0.486 45.611 45.100 0.042 0.000 0.777 243 G HN 0.118 nan 8.290 nan 0.000 0.539 244 V N 0.652 120.615 119.914 0.081 0.000 2.343 244 V HA -0.230 3.889 4.120 -0.000 0.000 0.247 244 V C 3.080 179.271 176.094 0.162 0.000 1.051 244 V CA 1.808 64.170 62.300 0.104 0.000 1.036 244 V CB -0.701 31.181 31.823 0.100 0.000 0.654 244 V HN 0.506 nan 8.190 nan 0.000 0.451 245 C N -0.403 119.006 119.300 0.181 0.000 2.398 245 C HA -0.169 4.291 4.460 -0.000 0.000 0.276 245 C C 2.751 177.777 174.990 0.061 0.000 1.222 245 C CA 0.873 59.957 59.018 0.110 0.000 1.746 245 C CB -1.046 26.700 27.740 0.011 0.000 2.039 245 C HN 0.575 nan 8.230 nan 0.000 0.470 246 E N 0.515 120.741 120.200 0.044 0.000 2.085 246 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 246 E C 2.102 178.722 176.600 0.032 0.000 0.994 246 E CA 1.123 57.539 56.400 0.028 0.000 0.801 246 E CB -0.444 29.268 29.700 0.020 0.000 0.743 246 E HN 0.660 nan 8.360 nan 0.000 0.453 247 L N -0.031 121.217 121.223 0.042 0.000 2.056 247 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 247 L C 1.965 178.859 176.870 0.039 0.000 1.078 247 L CA 0.670 55.531 54.840 0.035 0.000 0.749 247 L CB -0.074 42.004 42.059 0.031 0.000 0.901 247 L HN 0.132 nan 8.230 nan 0.000 0.433 248 L N -1.222 120.038 121.223 0.061 0.000 2.590 248 L HA 0.293 4.632 4.340 -0.000 0.000 0.227 248 L C 1.590 178.498 176.870 0.064 0.000 1.099 248 L CA 0.943 55.823 54.840 0.067 0.000 0.872 248 L CB -1.056 41.061 42.059 0.097 0.000 1.088 248 L HN 0.366 nan 8.230 nan 0.000 0.479 249 G N 0.793 109.624 108.800 0.053 0.000 2.179 249 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.257 249 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.257 249 G C 0.358 175.273 174.900 0.025 0.000 1.010 249 G CA 0.552 45.669 45.100 0.028 0.000 0.736 249 G HN 0.310 nan 8.290 nan 0.000 0.513 250 L N -0.590 120.669 121.223 0.059 0.000 2.358 250 L HA 0.595 4.935 4.340 -0.000 0.000 0.268 250 L C 0.012 176.774 176.870 -0.180 0.000 1.032 250 L CA -1.117 53.745 54.840 0.036 0.000 0.805 250 L CB 1.101 43.303 42.059 0.239 0.000 1.253 250 L HN 0.016 nan 8.230 nan 0.000 0.452 251 D N 0.202 120.414 120.400 -0.314 0.000 2.274 251 D HA 0.304 4.944 4.640 -0.000 0.000 0.239 251 D C 0.560 176.319 176.300 -0.902 0.000 1.104 251 D CA -0.241 53.496 54.000 -0.438 0.000 0.840 251 D CB 2.152 42.815 40.800 -0.229 0.000 1.100 251 D HN 0.584 nan 8.370 nan 0.000 0.477 252 A N 4.208 126.522 122.820 -0.844 0.000 2.076 252 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 252 A C 2.176 179.541 177.584 -0.365 0.000 1.160 252 A CA 0.873 52.454 52.037 -0.760 0.000 0.653 252 A CB -0.389 18.418 19.000 -0.323 0.000 0.801 252 A HN 0.733 nan 8.150 nan 0.000 0.455 253 L N -0.507 120.554 121.223 -0.271 0.000 2.362 253 L HA -0.125 4.215 4.340 -0.000 0.000 0.219 253 L C 1.738 178.545 176.870 -0.104 0.000 1.134 253 L CA 0.694 55.450 54.840 -0.141 0.000 0.807 253 L CB -0.311 41.687 42.059 -0.102 0.000 0.927 253 L HN 0.368 nan 8.230 nan 0.000 0.447 254 N N -1.136 117.476 118.700 -0.147 0.000 2.415 254 N HA 0.030 4.770 4.740 -0.000 0.000 0.174 254 N C 0.321 175.909 175.510 0.130 0.000 1.048 254 N CA 0.143 53.178 53.050 -0.025 0.000 0.895 254 N CB 0.207 38.685 38.487 -0.014 0.000 1.036 254 N HN -0.005 nan 8.380 nan 0.000 0.449 255 F N 2.091 122.030 119.950 -0.019 0.000 2.602 255 F HA 0.173 4.700 4.527 -0.000 0.000 0.367 255 F C 1.336 177.133 175.800 -0.006 0.000 1.126 255 F CA -1.570 56.420 58.000 -0.018 0.000 1.321 255 F CB -0.422 38.569 39.000 -0.017 0.000 1.094 255 F HN -0.129 nan 8.300 nan 0.000 0.594 256 A N 4.552 127.486 122.820 0.190 0.000 2.462 256 A HA 0.299 4.619 4.320 -0.000 0.000 0.243 256 A C 0.272 177.946 177.584 0.149 0.000 1.076 256 A CA -0.497 51.617 52.037 0.129 0.000 0.773 256 A CB -0.028 19.046 19.000 0.124 0.000 1.010 256 A HN 0.765 nan 8.150 nan 0.000 0.493 257 N N 1.187 119.934 118.700 0.079 0.000 2.319 257 N HA 0.328 5.068 4.740 -0.000 0.000 0.305 257 N C -0.584 174.903 175.510 -0.038 0.000 1.103 257 N CA -0.517 52.566 53.050 0.055 0.000 0.815 257 N CB 1.855 40.363 38.487 0.035 0.000 1.288 257 N HN 0.649 nan 8.380 nan 0.000 0.493 258 E N 0.112 120.261 120.200 -0.085 0.000 2.603 258 E HA 0.222 4.572 4.350 -0.000 0.000 0.211 258 E C 0.273 176.839 176.600 -0.057 0.000 0.995 258 E CA -0.044 56.265 56.400 -0.151 0.000 0.990 258 E CB 0.930 30.406 29.700 -0.373 0.000 1.036 258 E HN 0.824 nan 8.360 nan 0.000 0.475 259 G N 1.036 109.827 108.800 -0.015 0.000 5.482 259 G HA2 0.107 4.067 3.960 -0.000 0.000 0.208 259 G HA3 0.107 4.067 3.960 -0.000 0.000 0.208 259 G C -0.089 174.817 174.900 0.010 0.000 0.756 259 G CA -0.366 44.736 45.100 0.004 0.000 0.682 259 G HN -0.219 nan 8.290 nan 0.000 0.405 260 K N 0.690 121.090 120.400 -0.000 0.000 2.371 260 K HA 0.650 4.969 4.320 -0.000 0.000 0.251 260 K C -0.794 175.794 176.600 -0.019 0.000 0.934 260 K CA -0.560 55.726 56.287 -0.002 0.000 0.798 260 K CB 2.811 35.314 32.500 0.005 0.000 1.204 260 K HN 0.116 nan 8.250 nan 0.000 0.427 261 L N 1.214 122.420 121.223 -0.027 0.000 2.334 261 L HA 0.596 4.936 4.340 -0.000 0.000 0.273 261 L C -0.318 176.523 176.870 -0.049 0.000 1.013 261 L CA -1.401 53.414 54.840 -0.042 0.000 0.816 261 L CB 1.918 43.944 42.059 -0.055 0.000 1.278 261 L HN 0.106 nan 8.230 nan 0.000 0.431 262 V N 3.455 123.334 119.914 -0.057 0.000 2.417 262 V HA 0.511 4.631 4.120 -0.000 0.000 0.291 262 V C -0.143 175.968 176.094 0.027 0.000 1.024 262 V CA -0.320 61.947 62.300 -0.056 0.000 0.861 262 V CB 1.827 33.544 31.823 -0.176 0.000 0.985 262 V HN 0.482 nan 8.190 nan 0.000 0.436 263 I N 3.743 124.333 120.570 0.033 0.000 2.499 263 I HA 0.730 4.900 4.170 -0.000 0.000 0.288 263 I C 0.031 176.165 176.117 0.028 0.000 1.048 263 I CA -0.727 60.565 61.300 -0.014 0.000 1.062 263 I CB 2.063 39.992 38.000 -0.118 0.000 1.238 263 I HN 0.642 nan 8.210 nan 0.000 0.426 264 A N 6.465 129.276 122.820 -0.014 0.000 2.304 264 A HA 0.834 5.154 4.320 -0.000 0.000 0.323 264 A C -0.443 177.066 177.584 -0.125 0.000 1.195 264 A CA -0.511 51.487 52.037 -0.065 0.000 0.826 264 A CB 1.228 20.122 19.000 -0.176 0.000 1.184 264 A HN 0.642 nan 8.150 nan 0.000 0.496 265 V N 0.260 120.122 119.914 -0.086 0.000 2.962 265 V HA 0.688 4.808 4.120 -0.000 0.000 0.313 265 V C -0.241 175.821 176.094 -0.054 0.000 1.099 265 V CA -1.023 61.228 62.300 -0.081 0.000 0.971 265 V CB 1.381 33.158 31.823 -0.076 0.000 1.028 265 V HN 0.910 nan 8.190 nan 0.000 0.430 266 E N 1.441 121.617 120.200 -0.040 0.000 2.568 266 E HA 0.049 4.398 4.350 -0.000 0.000 0.262 266 E C 1.285 177.871 176.600 -0.022 0.000 0.961 266 E CA 0.830 57.215 56.400 -0.025 0.000 0.945 266 E CB 0.612 30.305 29.700 -0.011 0.000 0.924 266 E HN 0.729 nan 8.360 nan 0.000 0.467 267 R N 3.476 123.965 120.500 -0.018 0.000 2.096 267 R HA -0.241 4.098 4.340 -0.000 0.000 0.240 267 R C 1.556 177.849 176.300 -0.012 0.000 1.139 267 R CA 2.268 58.359 56.100 -0.015 0.000 0.952 267 R CB -0.275 30.017 30.300 -0.012 0.000 0.854 267 R HN 0.823 nan 8.270 nan 0.000 0.436 268 N N -1.025 117.669 118.700 -0.009 0.000 2.515 268 N HA -0.049 4.691 4.740 -0.000 0.000 0.185 268 N C 1.086 176.592 175.510 -0.007 0.000 1.109 268 N CA 0.586 53.633 53.050 -0.006 0.000 0.903 268 N CB 0.150 38.636 38.487 -0.002 0.000 0.969 268 N HN 0.148 nan 8.380 nan 0.000 0.450 269 A N 0.151 122.964 122.820 -0.011 0.000 2.308 269 A HA 0.545 4.865 4.320 -0.000 0.000 0.217 269 A C 2.187 179.756 177.584 -0.024 0.000 1.216 269 A CA 0.226 52.255 52.037 -0.013 0.000 0.864 269 A CB -0.155 18.838 19.000 -0.011 0.000 0.902 269 A HN 0.402 nan 8.150 nan 0.000 0.499 270 A N 0.366 123.171 122.820 -0.025 0.000 1.877 270 A HA -0.142 4.177 4.320 -0.000 0.000 0.216 270 A C 1.917 179.479 177.584 -0.036 0.000 1.186 270 A CA 1.700 53.718 52.037 -0.033 0.000 0.620 270 A CB -0.318 18.667 19.000 -0.025 0.000 0.822 270 A HN 0.387 nan 8.150 nan 0.000 0.443 271 E N 0.052 120.239 120.200 -0.022 0.000 2.072 271 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 271 E C 2.358 178.944 176.600 -0.024 0.000 0.985 271 E CA 1.579 57.970 56.400 -0.016 0.000 0.801 271 E CB -0.560 29.140 29.700 0.001 0.000 0.750 271 E HN 0.971 nan 8.360 nan 0.000 0.452 272 Q N 0.512 120.300 119.800 -0.019 0.000 2.119 272 Q HA -0.056 4.283 4.340 -0.000 0.000 0.201 272 Q C 2.118 178.097 176.000 -0.034 0.000 0.972 272 Q CA 1.422 57.215 55.803 -0.016 0.000 0.847 272 Q CB -0.340 28.395 28.738 -0.005 0.000 0.903 272 Q HN 0.051 nan 8.270 nan 0.000 0.433 273 V N 1.545 121.429 119.914 -0.050 0.000 2.427 273 V HA -0.220 3.899 4.120 -0.000 0.000 0.248 273 V C 2.397 178.418 176.094 -0.121 0.000 1.051 273 V CA 1.299 63.555 62.300 -0.073 0.000 1.048 273 V CB -0.508 31.267 31.823 -0.080 0.000 0.666 273 V HN 0.338 nan 8.190 nan 0.000 0.456 274 L N 0.023 121.156 121.223 -0.150 0.000 2.012 274 L HA -0.198 4.141 4.340 -0.000 0.000 0.210 274 L C 2.739 179.387 176.870 -0.370 0.000 1.073 274 L CA 1.708 56.367 54.840 -0.301 0.000 0.748 274 L CB -0.715 41.204 42.059 -0.233 0.000 0.891 274 L HN 0.382 nan 8.230 nan 0.000 0.431 275 A N -0.175 122.565 122.820 -0.133 0.000 1.908 275 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 275 A C 2.508 180.085 177.584 -0.011 0.000 1.181 275 A CA 1.831 53.858 52.037 -0.017 0.000 0.627 275 A CB -0.754 18.259 19.000 0.022 0.000 0.818 275 A HN 0.444 nan 8.150 nan 0.000 0.445 276 A N -0.155 122.645 122.820 -0.032 0.000 1.865 276 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 276 A C 2.194 179.777 177.584 -0.000 0.000 1.191 276 A CA 1.650 53.684 52.037 -0.005 0.000 0.623 276 A CB -0.729 18.264 19.000 -0.012 0.000 0.826 276 A HN 0.488 nan 8.150 nan 0.000 0.444 277 L N -1.473 119.707 121.223 -0.071 0.000 2.012 277 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 277 L C 2.494 179.397 176.870 0.055 0.000 1.073 277 L CA 1.872 56.683 54.840 -0.049 0.000 0.748 277 L CB -0.851 41.125 42.059 -0.139 0.000 0.891 277 L HN 0.548 nan 8.230 nan 0.000 0.431 278 H N -1.171 117.924 119.070 0.041 0.000 2.518 278 H HA -0.111 4.445 4.556 -0.000 0.000 0.289 278 H C 2.445 177.800 175.328 0.044 0.000 1.051 278 H CA 0.861 56.932 56.048 0.039 0.000 1.280 278 H CB 0.124 29.900 29.762 0.024 0.000 1.380 278 H HN 0.413 nan 8.280 nan 0.000 0.566 279 S N -0.123 115.674 115.700 0.161 0.000 2.481 279 S HA -0.122 4.347 4.470 -0.000 0.000 0.231 279 S C 0.789 175.458 174.600 0.115 0.000 0.996 279 S CA 0.266 58.534 58.200 0.114 0.000 0.942 279 S CB 0.031 63.286 63.200 0.092 0.000 0.768 279 S HN 0.409 nan 8.310 nan 0.000 0.520 280 H N 1.715 120.818 119.070 0.056 0.000 2.469 280 H HA 0.349 4.905 4.556 -0.000 0.000 0.342 280 H C -2.189 173.169 175.328 0.050 0.000 1.115 280 H CA -1.869 54.205 56.048 0.044 0.000 1.204 280 H CB 2.231 32.013 29.762 0.034 0.000 1.492 280 H HN -0.023 nan 8.280 nan 0.000 0.499 281 P HA -0.138 nan 4.420 nan 0.000 0.220 281 P C 1.451 178.836 177.300 0.142 0.000 1.144 281 P CA 0.970 64.056 63.100 -0.024 0.000 0.800 281 P CB 0.348 31.974 31.700 -0.123 0.000 0.772 282 L N -2.884 118.558 121.223 0.364 0.000 2.341 282 L HA 0.151 4.490 4.340 -0.000 0.000 0.214 282 L C 1.883 178.834 176.870 0.135 0.000 1.115 282 L CA 0.919 55.898 54.840 0.231 0.000 0.820 282 L CB -0.678 41.505 42.059 0.205 0.000 0.944 282 L HN 0.160 nan 8.230 nan 0.000 0.452 283 G N 0.869 109.749 108.800 0.134 0.000 2.591 283 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.226 283 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.226 283 G C 0.705 175.725 174.900 0.201 0.000 1.598 283 G CA 0.064 45.274 45.100 0.182 0.000 1.349 283 G HN 0.232 nan 8.290 nan 0.000 0.493 284 K N 0.906 121.403 120.400 0.162 0.000 2.283 284 K HA 0.175 4.495 4.320 -0.000 0.000 0.202 284 K C 0.998 177.669 176.600 0.119 0.000 1.048 284 K CA 1.879 58.246 56.287 0.133 0.000 0.948 284 K CB 0.055 32.577 32.500 0.037 0.000 0.742 284 K HN 0.312 nan 8.250 nan 0.000 0.458 285 D N 0.926 121.406 120.400 0.133 0.000 2.363 285 D HA 0.151 4.791 4.640 -0.000 0.000 0.214 285 D C -0.069 176.327 176.300 0.161 0.000 1.093 285 D CA 0.013 54.075 54.000 0.104 0.000 0.837 285 D CB 0.370 41.206 40.800 0.062 0.000 0.948 285 D HN 0.300 nan 8.370 nan 0.000 0.507 286 A N 1.003 123.958 122.820 0.224 0.000 2.587 286 A HA 0.409 4.728 4.320 -0.000 0.000 0.233 286 A C 0.371 178.048 177.584 0.155 0.000 1.049 286 A CA 0.435 52.542 52.037 0.116 0.000 0.754 286 A CB 0.283 19.255 19.000 -0.047 0.000 0.977 286 A HN 0.212 nan 8.150 nan 0.000 0.509 287 A N 1.875 124.729 122.820 0.056 0.000 2.572 287 A HA 0.624 4.943 4.320 -0.000 0.000 0.295 287 A C -0.638 176.952 177.584 0.010 0.000 1.072 287 A CA -0.576 51.493 52.037 0.053 0.000 0.691 287 A CB 0.900 19.929 19.000 0.049 0.000 1.291 287 A HN 1.254 nan 8.150 nan 0.000 0.404 288 L N 2.461 123.690 121.223 0.010 0.000 2.360 288 L HA 0.457 4.797 4.340 -0.000 0.000 0.276 288 L C 0.695 177.564 176.870 -0.002 0.000 1.121 288 L CA 0.008 54.847 54.840 -0.002 0.000 0.845 288 L CB 0.537 42.596 42.059 0.000 0.000 1.143 288 L HN 0.782 nan 8.230 nan 0.000 0.452 289 I N 1.053 121.619 120.570 -0.007 0.000 4.403 289 I HA 0.607 4.777 4.170 -0.000 0.000 0.331 289 I C 0.513 176.622 176.117 -0.013 0.000 1.327 289 I CA 0.035 61.328 61.300 -0.011 0.000 1.175 289 I CB 0.664 38.654 38.000 -0.017 0.000 1.165 289 I HN 0.567 nan 8.210 nan 0.000 0.413 290 G N 0.502 109.297 108.800 -0.009 0.000 2.489 290 G HA2 0.510 4.470 3.960 -0.000 0.000 0.305 290 G HA3 0.510 4.470 3.960 -0.000 0.000 0.305 290 G C -2.120 172.777 174.900 -0.004 0.000 1.311 290 G CA -0.444 44.651 45.100 -0.009 0.000 0.813 290 G HN 0.141 nan 8.290 nan 0.000 0.480 291 E N -1.068 119.129 120.200 -0.004 0.000 2.356 291 E HA 0.536 4.885 4.350 -0.000 0.000 0.275 291 E C -1.216 175.382 176.600 -0.003 0.000 0.904 291 E CA -0.672 55.725 56.400 -0.004 0.000 0.757 291 E CB 2.908 32.604 29.700 -0.007 0.000 1.232 291 E HN 0.327 nan 8.360 nan 0.000 0.442 292 V N 3.581 123.492 119.914 -0.005 0.000 2.432 292 V HA 0.344 4.464 4.120 -0.000 0.000 0.275 292 V C 0.275 176.362 176.094 -0.012 0.000 1.043 292 V CA -0.378 61.918 62.300 -0.008 0.000 0.925 292 V CB 0.817 32.630 31.823 -0.015 0.000 0.985 292 V HN 0.475 nan 8.190 nan 0.000 0.466 293 V N 1.721 121.628 119.914 -0.012 0.000 3.126 293 V HA 0.569 4.689 4.120 -0.000 0.000 0.314 293 V C 0.902 176.989 176.094 -0.012 0.000 1.138 293 V CA -0.512 61.781 62.300 -0.012 0.000 1.034 293 V CB 1.945 33.761 31.823 -0.011 0.000 1.075 293 V HN 0.754 nan 8.190 nan 0.000 0.442 294 E N 0.928 121.122 120.200 -0.010 0.000 2.047 294 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 294 E C 1.342 177.937 176.600 -0.008 0.000 0.987 294 E CA 0.648 57.043 56.400 -0.009 0.000 0.799 294 E CB 0.116 29.811 29.700 -0.008 0.000 0.752 294 E HN 0.678 nan 8.360 nan 0.000 0.449 295 R N 1.891 122.386 120.500 -0.008 0.000 2.421 295 R HA 0.009 4.348 4.340 -0.000 0.000 0.305 295 R C -0.407 175.887 176.300 -0.010 0.000 1.039 295 R CA -0.036 56.060 56.100 -0.007 0.000 1.003 295 R CB 0.473 30.769 30.300 -0.006 0.000 0.959 295 R HN -0.074 nan 8.270 nan 0.000 0.427 296 K N 2.777 123.173 120.400 -0.007 0.000 2.397 296 K HA 0.221 4.541 4.320 -0.000 0.000 0.265 296 K C 0.230 176.822 176.600 -0.012 0.000 0.982 296 K CA 0.945 57.227 56.287 -0.008 0.000 0.931 296 K CB 0.541 33.040 32.500 -0.001 0.000 0.943 296 K HN 0.952 nan 8.250 nan 0.000 0.501 297 G N -0.724 108.065 108.800 -0.019 0.000 2.612 297 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.686 297 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.686 297 G C -1.309 173.544 174.900 -0.078 0.000 1.274 297 G CA -1.011 44.071 45.100 -0.030 0.000 0.849 297 G HN 0.397 nan 8.290 nan 0.000 0.595 298 V N 1.229 121.068 119.914 -0.125 0.000 2.417 298 V HA 0.791 4.911 4.120 -0.000 0.000 0.291 298 V C 0.582 176.620 176.094 -0.093 0.000 1.024 298 V CA -0.491 61.690 62.300 -0.198 0.000 0.861 298 V CB 1.582 33.074 31.823 -0.552 0.000 0.985 298 V HN 0.857 nan 8.190 nan 0.000 0.436 299 R N 3.178 123.637 120.500 -0.069 0.000 2.807 299 R HA 0.728 5.068 4.340 -0.000 0.000 0.276 299 R C -1.590 174.689 176.300 -0.035 0.000 0.979 299 R CA -0.927 55.151 56.100 -0.036 0.000 0.928 299 R CB 2.360 32.645 30.300 -0.025 0.000 1.191 299 R HN 0.537 nan 8.270 nan 0.000 0.471 300 L N 1.654 122.861 121.223 -0.026 0.000 2.325 300 L HA 0.564 4.904 4.340 -0.000 0.000 0.281 300 L C -0.798 176.054 176.870 -0.030 0.000 1.004 300 L CA -0.200 54.622 54.840 -0.030 0.000 0.823 300 L CB 1.737 43.778 42.059 -0.030 0.000 1.236 300 L HN 0.801 nan 8.230 nan 0.000 0.415 301 A N 4.287 127.089 122.820 -0.030 0.000 2.376 301 A HA 0.611 4.931 4.320 -0.000 0.000 0.298 301 A C 0.603 178.159 177.584 -0.047 0.000 1.271 301 A CA 0.305 52.324 52.037 -0.030 0.000 0.926 301 A CB -0.491 18.496 19.000 -0.022 0.000 1.141 301 A HN 0.901 nan 8.150 nan 0.000 0.539 302 G N 1.313 110.077 108.800 -0.060 0.000 2.714 302 G HA2 0.461 4.420 3.960 -0.000 0.000 0.197 302 G HA3 0.461 4.420 3.960 -0.000 0.000 0.197 302 G C 0.026 174.837 174.900 -0.148 0.000 1.449 302 G CA -0.691 44.351 45.100 -0.096 0.000 1.065 302 G HN 0.519 nan 8.290 nan 0.000 0.575 303 L N -0.022 121.043 121.223 -0.263 0.000 2.543 303 L HA 0.119 4.459 4.340 -0.000 0.000 0.285 303 L C 0.257 176.852 176.870 -0.457 0.000 1.236 303 L CA 0.302 54.817 54.840 -0.541 0.000 0.871 303 L CB -0.935 40.557 42.059 -0.944 0.000 1.121 303 L HN 0.601 nan 8.230 nan 0.000 0.501 304 Y N 1.198 121.495 120.300 -0.006 0.000 3.721 304 Y HA -0.182 4.368 4.550 -0.001 0.000 0.218 304 Y C 1.547 177.443 175.900 -0.006 0.000 1.188 304 Y CA 0.882 58.979 58.100 -0.005 0.000 1.607 304 Y CB -2.404 36.053 38.460 -0.005 0.000 1.496 304 Y HN 0.871 nan 8.280 nan 0.000 0.626 305 G N -1.839 106.999 108.800 0.065 0.000 2.168 305 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.257 305 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.257 305 G C 0.039 174.960 174.900 0.033 0.000 0.997 305 G CA -0.018 45.106 45.100 0.039 0.000 0.708 305 G HN 0.707 nan 8.290 nan 0.000 0.520 306 V N 0.283 120.217 119.914 0.033 0.000 2.479 306 V HA 0.324 4.443 4.120 -0.000 0.000 0.281 306 V C 0.725 176.820 176.094 0.002 0.000 1.031 306 V CA 0.271 62.588 62.300 0.029 0.000 1.038 306 V CB 1.219 33.066 31.823 0.040 0.000 0.981 306 V HN 0.328 nan 8.190 nan 0.000 0.478 307 K N 5.650 126.052 120.400 0.004 0.000 2.253 307 K HA 0.555 4.875 4.320 -0.000 0.000 0.277 307 K C -0.233 176.364 176.600 -0.005 0.000 1.053 307 K CA -0.162 56.123 56.287 -0.005 0.000 0.892 307 K CB 0.945 33.442 32.500 -0.004 0.000 1.102 307 K HN 0.597 nan 8.250 nan 0.000 0.469 308 R N 1.431 121.926 120.500 -0.009 0.000 2.740 308 R HA 0.376 4.716 4.340 -0.000 0.000 0.282 308 R C -0.557 175.740 176.300 -0.004 0.000 0.969 308 R CA -0.956 55.140 56.100 -0.006 0.000 0.918 308 R CB 1.721 32.017 30.300 -0.008 0.000 1.175 308 R HN 0.467 nan 8.270 nan 0.000 0.464 309 T N 2.773 117.329 114.554 0.003 0.000 2.905 309 T HA -0.024 4.326 4.350 -0.000 0.000 0.299 309 T C 0.146 174.860 174.700 0.024 0.000 1.024 309 T CA 0.314 62.422 62.100 0.014 0.000 1.151 309 T CB 0.225 69.106 68.868 0.022 0.000 0.987 309 T HN 0.202 nan 8.240 nan 0.000 0.535 310 L N 4.655 125.904 121.223 0.042 0.000 2.262 310 L HA 0.271 4.611 4.340 -0.000 0.000 0.288 310 L C -0.104 176.864 176.870 0.163 0.000 1.035 310 L CA -0.678 54.206 54.840 0.074 0.000 0.820 310 L CB 0.644 42.740 42.059 0.063 0.000 1.204 310 L HN 0.636 nan 8.230 nan 0.000 0.424 311 D N 4.878 125.326 120.400 0.081 0.000 2.283 311 D HA 0.285 4.924 4.640 -0.000 0.000 0.248 311 D C 0.166 176.435 176.300 -0.052 0.000 1.072 311 D CA -0.275 53.745 54.000 0.033 0.000 0.929 311 D CB 2.067 42.866 40.800 -0.000 0.000 1.182 311 D HN 0.385 nan 8.370 nan 0.000 0.433 312 L N 2.446 123.537 121.223 -0.219 0.000 2.426 312 L HA 0.207 4.546 4.340 -0.000 0.000 0.271 312 L C -1.645 175.177 176.870 -0.080 0.000 1.169 312 L CA -1.357 53.344 54.840 -0.232 0.000 0.836 312 L CB 0.243 42.100 42.059 -0.336 0.000 1.112 312 L HN 0.175 nan 8.230 nan 0.000 0.465 313 P HA 0.102 nan 4.420 nan 0.000 0.277 313 P C 0.067 177.438 177.300 0.118 0.000 1.240 313 P CA -0.386 62.760 63.100 0.077 0.000 0.798 313 P CB 0.577 32.331 31.700 0.090 0.000 0.979 314 H N 1.132 120.177 119.070 -0.041 0.000 2.319 314 H HA 0.079 4.635 4.556 -0.001 0.000 0.297 314 H C 0.501 175.807 175.328 -0.036 0.000 1.097 314 H CA 0.597 56.623 56.048 -0.037 0.000 1.285 314 H CB -0.114 29.631 29.762 -0.027 0.000 1.368 314 H HN 0.557 nan 8.280 nan 0.000 0.495 315 A N 0.158 122.714 122.820 -0.440 0.000 2.564 315 A HA 0.428 4.748 4.320 -0.000 0.000 0.288 315 A C -1.109 176.347 177.584 -0.214 0.000 1.164 315 A CA -0.848 50.960 52.037 -0.381 0.000 0.712 315 A CB 1.537 20.208 19.000 -0.548 0.000 1.303 315 A HN 0.305 nan 8.150 nan 0.000 0.418 316 E N 0.192 120.304 120.200 -0.147 0.000 2.383 316 E HA 0.393 4.742 4.350 -0.000 0.000 0.264 316 E C -1.736 174.824 176.600 -0.068 0.000 1.050 316 E CA -1.354 54.999 56.400 -0.079 0.000 0.896 316 E CB 0.613 30.270 29.700 -0.073 0.000 0.982 316 E HN 0.301 nan 8.360 nan 0.000 0.424 317 P HA -0.066 nan 4.420 nan 0.000 0.218 317 P C -0.742 176.535 177.300 -0.038 0.000 1.146 317 P CA 0.915 64.019 63.100 0.007 0.000 0.813 317 P CB 0.235 31.952 31.700 0.028 0.000 0.778 318 L N -2.185 119.001 121.223 -0.062 0.000 2.703 318 L HA 0.362 4.701 4.340 -0.000 0.000 0.257 318 L C -2.724 174.104 176.870 -0.070 0.000 0.923 318 L CA -1.787 53.013 54.840 -0.067 0.000 0.936 318 L CB 1.702 43.713 42.059 -0.080 0.000 1.482 318 L HN -0.306 nan 8.230 nan 0.000 0.432 319 P HA 0.310 nan 4.420 nan 0.000 0.272 319 P C -0.655 176.612 177.300 -0.054 0.000 1.230 319 P CA -0.076 62.986 63.100 -0.062 0.000 0.788 319 P CB 0.516 32.183 31.700 -0.054 0.000 0.949 320 R N 0.160 120.626 120.500 -0.057 0.000 3.531 320 R HA -0.159 4.181 4.340 -0.000 0.000 0.280 320 R C 0.973 177.251 176.300 -0.036 0.000 1.130 320 R CA 0.122 56.200 56.100 -0.037 0.000 0.757 320 R CB -2.526 27.772 30.300 -0.003 0.000 1.218 320 R HN 0.482 nan 8.270 nan 0.000 0.454 321 I N -0.796 119.741 120.570 -0.055 0.000 2.716 321 I HA -0.096 4.074 4.170 -0.000 0.000 0.259 321 I C 1.049 177.180 176.117 0.024 0.000 1.172 321 I CA 0.962 62.215 61.300 -0.078 0.000 1.478 321 I CB 0.286 38.223 38.000 -0.104 0.000 1.104 321 I HN 0.325 nan 8.210 nan 0.000 0.439 322 C N 0.000 119.318 119.300 0.030 0.000 2.653 322 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 322 C CA 0.000 59.059 59.018 0.068 0.000 1.963 322 C CB 0.000 27.750 27.740 0.017 0.000 2.134 322 C HN 0.000 nan 8.230 nan 0.000 0.568