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 2d5n_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEEYYMKLAL DLAKQGEGQT ESNPLVGAVV VKDGQIVGMG AHLKYGEAHA DATA SEQUENCE EVHAIHMAGA HAEGADIYVT LEPcSHYGKT PPcAELIINS GIKRVFVAMR DATA SEQUENCE DPNPLVAGRG ISMMKEAGIE VREGILADQA ERLNEKFLHF MRTGLPYVTL DATA SEQUENCE KAAASLDGKI ATSTGDSKWI TSEAARQDAQ QYRKTHQSIL VGVGTVKADN DATA SEQUENCE PSLTCRLPNV TKQPVRVILD TVLSIPEDAK VICDQIAPTW IFTTARADEE DATA SEQUENCE KKKRLSAFGV NIFTLETERI QIPDVLKILA EEGIMSVYVE GGSAVHGSFV DATA SEQUENCE KEGCFQEIIF YFAPKLIGGT HAPSLISGEG FQSMKDVPLL QFTDITQIGR DATA SEQUENCE DIKLTAKPT 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 0.000 176.189 176.300 -0.185 0.000 1.140 1 M CA 0.000 55.194 55.300 -0.178 0.000 0.988 1 M CB 0.000 32.504 32.600 -0.159 0.000 1.302 2 E N 1.175 121.321 120.200 -0.090 0.000 2.106 2 E HA -0.043 4.307 4.350 -0.000 0.000 0.192 2 E C 1.186 177.723 176.600 -0.106 0.000 0.984 2 E CA 1.823 58.170 56.400 -0.090 0.000 0.806 2 E CB 0.006 29.671 29.700 -0.057 0.000 0.750 2 E HN 0.667 nan 8.360 nan 0.000 0.458 3 E N -1.059 119.100 120.200 -0.067 0.000 2.427 3 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 3 E C 1.345 177.880 176.600 -0.109 0.000 1.028 3 E CA 0.220 56.586 56.400 -0.057 0.000 0.864 3 E CB -0.041 29.643 29.700 -0.027 0.000 0.813 3 E HN 0.351 nan 8.360 nan 0.000 0.514 4 Y N 0.107 120.237 120.300 -0.282 0.000 2.153 4 Y HA -0.257 4.292 4.550 -0.000 0.000 0.289 4 Y C 1.615 177.315 175.900 -0.333 0.000 1.127 4 Y CA 1.514 59.408 58.100 -0.343 0.000 1.131 4 Y CB -0.115 38.027 38.460 -0.529 0.000 0.995 4 Y HN -0.045 nan 8.280 nan 0.000 0.505 5 Y N -0.929 119.219 120.300 -0.252 0.000 2.293 5 Y HA -0.192 4.358 4.550 -0.000 0.000 0.291 5 Y C 2.427 178.067 175.900 -0.433 0.000 1.137 5 Y CA 1.381 59.178 58.100 -0.504 0.000 1.202 5 Y CB -0.742 37.010 38.460 -1.181 0.000 0.990 5 Y HN 0.281 nan 8.280 nan 0.000 0.537 6 M N 0.285 119.786 119.600 -0.166 0.000 2.319 6 M HA -0.048 4.432 4.480 -0.000 0.000 0.265 6 M C 1.930 178.199 176.300 -0.053 0.000 1.068 6 M CA 1.482 56.781 55.300 -0.002 0.000 1.118 6 M CB -0.154 32.491 32.600 0.076 0.000 1.395 6 M HN -0.041 nan 8.290 nan 0.000 0.435 7 K N -0.106 120.208 120.400 -0.142 0.000 2.116 7 K HA -0.024 4.296 4.320 -0.000 0.000 0.203 7 K C 1.717 178.207 176.600 -0.183 0.000 1.052 7 K CA 1.014 57.206 56.287 -0.159 0.000 0.952 7 K CB -0.715 31.659 32.500 -0.210 0.000 0.729 7 K HN 0.342 nan 8.250 nan 0.000 0.446 8 L N 0.622 121.691 121.223 -0.257 0.000 2.012 8 L HA -0.007 4.333 4.340 -0.000 0.000 0.210 8 L C 2.073 178.894 176.870 -0.081 0.000 1.073 8 L CA 2.346 57.066 54.840 -0.200 0.000 0.748 8 L CB -1.194 40.759 42.059 -0.178 0.000 0.891 8 L HN 0.178 nan 8.230 nan 0.000 0.431 9 A N -0.399 122.397 122.820 -0.040 0.000 1.940 9 A HA -0.169 4.150 4.320 -0.000 0.000 0.219 9 A C 2.287 179.870 177.584 -0.000 0.000 1.176 9 A CA 2.070 54.114 52.037 0.012 0.000 0.631 9 A CB -0.962 18.076 19.000 0.063 0.000 0.814 9 A HN 0.552 nan 8.150 nan 0.000 0.446 10 L N -0.614 120.597 121.223 -0.020 0.000 2.093 10 L HA -0.174 4.165 4.340 -0.000 0.000 0.208 10 L C 1.855 178.707 176.870 -0.030 0.000 1.085 10 L CA 1.410 56.237 54.840 -0.022 0.000 0.755 10 L CB -0.553 41.489 42.059 -0.029 0.000 0.904 10 L HN 0.284 nan 8.230 nan 0.000 0.435 11 D N -0.253 120.120 120.400 -0.046 0.000 2.224 11 D HA -0.090 4.549 4.640 -0.000 0.000 0.205 11 D C 2.359 178.642 176.300 -0.029 0.000 0.965 11 D CA 0.881 54.854 54.000 -0.044 0.000 0.852 11 D CB 0.003 40.766 40.800 -0.062 0.000 0.947 11 D HN 0.236 nan 8.370 nan 0.000 0.494 12 L N 0.487 121.699 121.223 -0.019 0.000 2.044 12 L HA -0.035 4.305 4.340 -0.000 0.000 0.205 12 L C 2.466 179.341 176.870 0.007 0.000 1.075 12 L CA 0.851 55.690 54.840 -0.002 0.000 0.747 12 L CB -0.428 41.639 42.059 0.013 0.000 0.903 12 L HN -0.012 nan 8.230 nan 0.000 0.435 13 A N 0.604 123.429 122.820 0.008 0.000 1.903 13 A HA -0.332 3.988 4.320 -0.000 0.000 0.219 13 A C 2.281 179.865 177.584 -0.001 0.000 1.191 13 A CA 2.472 54.516 52.037 0.010 0.000 0.638 13 A CB -0.566 18.433 19.000 -0.002 0.000 0.823 13 A HN 0.312 nan 8.150 nan 0.000 0.451 14 K N -0.700 119.691 120.400 -0.014 0.000 2.362 14 K HA -0.096 4.224 4.320 -0.000 0.000 0.200 14 K C 1.432 178.020 176.600 -0.020 0.000 1.046 14 K CA 0.972 57.246 56.287 -0.021 0.000 0.952 14 K CB -0.043 32.441 32.500 -0.027 0.000 0.753 14 K HN 0.356 nan 8.250 nan 0.000 0.466 15 Q N -0.540 119.251 119.800 -0.015 0.000 2.547 15 Q HA 0.025 4.364 4.340 -0.000 0.000 0.217 15 Q C 0.993 176.983 176.000 -0.017 0.000 0.978 15 Q CA 0.950 56.743 55.803 -0.017 0.000 0.962 15 Q CB 0.554 29.282 28.738 -0.016 0.000 0.990 15 Q HN 0.473 nan 8.270 nan 0.000 0.538 16 G N -0.683 108.109 108.800 -0.014 0.000 3.443 16 G HA2 0.018 3.977 3.960 -0.000 0.000 0.252 16 G HA3 0.018 3.977 3.960 -0.000 0.000 0.252 16 G C 0.126 175.014 174.900 -0.020 0.000 1.015 16 G CA -0.387 44.702 45.100 -0.018 0.000 0.891 16 G HN 0.263 nan 8.290 nan 0.000 0.510 17 E N 0.571 120.758 120.200 -0.022 0.000 2.604 17 E HA 0.274 4.624 4.350 -0.000 0.000 0.267 17 E C 1.446 178.032 176.600 -0.024 0.000 0.970 17 E CA 0.912 57.297 56.400 -0.026 0.000 0.956 17 E CB 0.073 29.752 29.700 -0.035 0.000 0.939 17 E HN 0.500 nan 8.360 nan 0.000 0.465 18 G N 3.464 112.252 108.800 -0.020 0.000 2.249 18 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.273 18 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.273 18 G C 0.330 175.225 174.900 -0.009 0.000 1.036 18 G CA 0.803 45.893 45.100 -0.018 0.000 0.824 18 G HN 0.632 nan 8.290 nan 0.000 0.504 19 Q N -1.669 118.132 119.800 0.002 0.000 2.036 19 Q HA 0.176 4.516 4.340 -0.000 0.000 0.208 19 Q C 1.769 177.791 176.000 0.037 0.000 0.770 19 Q CA 0.757 56.562 55.803 0.005 0.000 0.992 19 Q CB 0.870 29.596 28.738 -0.020 0.000 1.209 19 Q HN 0.672 nan 8.270 nan 0.000 0.445 20 T N -3.987 110.615 114.554 0.080 0.000 2.980 20 T HA 0.246 4.596 4.350 -0.000 0.000 0.252 20 T C 0.606 175.475 174.700 0.282 0.000 0.962 20 T CA 0.673 62.892 62.100 0.197 0.000 0.932 20 T CB 0.759 69.739 68.868 0.186 0.000 1.188 20 T HN 0.178 nan 8.240 nan 0.000 0.500 21 E N 1.411 121.687 120.200 0.127 0.000 3.010 21 E HA -0.244 4.106 4.350 -0.000 0.000 0.383 21 E C 0.854 177.523 176.600 0.115 0.000 1.454 21 E CA 1.503 57.944 56.400 0.068 0.000 1.171 21 E CB -1.810 27.868 29.700 -0.037 0.000 1.619 21 E HN 0.583 nan 8.360 nan 0.000 0.517 22 S N 1.446 117.254 115.700 0.181 0.000 2.660 22 S HA 0.204 4.673 4.470 -0.000 0.000 0.227 22 S C 0.234 175.072 174.600 0.397 0.000 0.948 22 S CA -0.153 58.178 58.200 0.217 0.000 0.948 22 S CB -0.062 63.233 63.200 0.158 0.000 0.779 22 S HN 0.232 nan 8.310 nan 0.000 0.487 23 N N 2.859 121.753 118.700 0.323 0.000 2.443 23 N HA 0.567 5.307 4.740 -0.000 0.000 0.293 23 N C -2.929 172.469 175.510 -0.187 0.000 1.159 23 N CA -1.863 51.288 53.050 0.168 0.000 0.904 23 N CB 1.165 39.771 38.487 0.199 0.000 1.214 23 N HN 0.150 nan 8.380 nan 0.000 0.513 24 P HA 0.230 nan 4.420 nan 0.000 0.281 24 P C -0.759 176.353 177.300 -0.313 0.000 1.249 24 P CA -0.524 62.067 63.100 -0.848 0.000 0.810 24 P CB 0.990 31.956 31.700 -1.224 0.000 1.008 25 L N 2.922 124.007 121.223 -0.230 0.000 2.290 25 L HA 0.295 4.635 4.340 -0.000 0.000 0.284 25 L C 0.123 176.941 176.870 -0.086 0.000 1.078 25 L CA -0.080 54.712 54.840 -0.080 0.000 0.815 25 L CB 0.725 42.745 42.059 -0.065 0.000 1.162 25 L HN 0.159 nan 8.230 nan 0.000 0.435 26 V N 2.364 122.265 119.914 -0.022 0.000 2.760 26 V HA 0.845 4.965 4.120 -0.000 0.000 0.309 26 V C 0.214 176.322 176.094 0.025 0.000 1.077 26 V CA -0.792 61.491 62.300 -0.028 0.000 0.910 26 V CB 1.836 33.610 31.823 -0.082 0.000 1.008 26 V HN 0.809 nan 8.190 nan 0.000 0.424 27 G N 1.744 110.558 108.800 0.024 0.000 2.448 27 G HA2 0.839 4.798 3.960 -0.000 0.000 0.324 27 G HA3 0.839 4.798 3.960 -0.000 0.000 0.324 27 G C -0.927 174.010 174.900 0.063 0.000 1.203 27 G CA -0.375 44.752 45.100 0.045 0.000 0.954 27 G HN 1.264 nan 8.290 nan 0.000 0.480 28 A N 0.849 123.717 122.820 0.080 0.000 2.427 28 A HA 0.743 5.063 4.320 -0.000 0.000 0.298 28 A C -1.226 176.420 177.584 0.103 0.000 1.036 28 A CA -0.487 51.608 52.037 0.097 0.000 0.701 28 A CB 1.980 21.033 19.000 0.087 0.000 1.250 28 A HN 1.132 nan 8.150 nan 0.000 0.412 29 V N 2.376 122.370 119.914 0.133 0.000 2.588 29 V HA 0.494 4.614 4.120 -0.000 0.000 0.304 29 V C -0.563 175.610 176.094 0.132 0.000 1.042 29 V CA -0.605 61.760 62.300 0.108 0.000 0.877 29 V CB 1.892 33.754 31.823 0.065 0.000 0.996 29 V HN 0.694 nan 8.190 nan 0.000 0.425 30 V N 5.616 125.574 119.914 0.074 0.000 2.328 30 V HA 0.420 4.540 4.120 -0.000 0.000 0.278 30 V C -0.133 175.962 176.094 0.001 0.000 1.021 30 V CA -0.467 61.872 62.300 0.065 0.000 0.838 30 V CB 1.739 33.601 31.823 0.065 0.000 0.999 30 V HN 0.629 nan 8.190 nan 0.000 0.447 31 V N 5.726 125.625 119.914 -0.026 0.000 2.427 31 V HA 0.467 4.587 4.120 -0.000 0.000 0.286 31 V C 0.691 176.774 176.094 -0.019 0.000 1.034 31 V CA -0.449 61.771 62.300 -0.133 0.000 0.893 31 V CB 1.666 33.276 31.823 -0.355 0.000 0.982 31 V HN 0.768 nan 8.190 nan 0.000 0.452 32 K N 1.936 122.324 120.400 -0.021 0.000 2.312 32 K HA 0.205 4.525 4.320 -0.000 0.000 0.223 32 K C 0.345 176.945 176.600 0.001 0.000 1.043 32 K CA 0.652 56.937 56.287 -0.004 0.000 0.981 32 K CB 0.147 32.623 32.500 -0.041 0.000 1.142 32 K HN 0.608 nan 8.250 nan 0.000 0.463 33 D N 0.173 120.560 120.400 -0.020 0.000 3.163 33 D HA 0.280 4.920 4.640 -0.000 0.000 0.284 33 D C 0.095 176.403 176.300 0.014 0.000 1.368 33 D CA 0.290 54.289 54.000 -0.003 0.000 0.895 33 D CB 0.206 40.990 40.800 -0.026 0.000 1.061 33 D HN 0.658 nan 8.370 nan 0.000 0.496 34 G N 1.265 110.090 108.800 0.043 0.000 2.157 34 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.248 34 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.248 34 G C 0.217 175.164 174.900 0.079 0.000 0.979 34 G CA -0.256 44.894 45.100 0.082 0.000 0.650 34 G HN 0.419 nan 8.290 nan 0.000 0.529 35 Q N -0.227 119.588 119.800 0.024 0.000 2.331 35 Q HA 0.618 4.958 4.340 -0.000 0.000 0.267 35 Q C 0.185 176.179 176.000 -0.010 0.000 1.006 35 Q CA -0.979 54.833 55.803 0.015 0.000 0.818 35 Q CB 2.034 30.758 28.738 -0.023 0.000 1.276 35 Q HN 0.392 nan 8.270 nan 0.000 0.450 36 I N 3.181 123.765 120.570 0.023 0.000 2.576 36 I HA -0.079 4.091 4.170 -0.000 0.000 0.288 36 I C 1.221 177.357 176.117 0.031 0.000 1.126 36 I CA 0.068 61.371 61.300 0.005 0.000 1.362 36 I CB 0.257 38.304 38.000 0.078 0.000 1.419 36 I HN 0.578 nan 8.210 nan 0.000 0.533 37 V N 2.934 122.869 119.914 0.036 0.000 3.660 37 V HA 0.507 4.627 4.120 -0.000 0.000 0.276 37 V C 0.727 176.878 176.094 0.096 0.000 1.317 37 V CA 0.357 62.714 62.300 0.095 0.000 1.097 37 V CB 0.006 31.919 31.823 0.150 0.000 0.863 37 V HN 0.771 nan 8.190 nan 0.000 0.438 38 G N 0.148 108.991 108.800 0.071 0.000 2.752 38 G HA2 0.649 4.609 3.960 -0.000 0.000 0.298 38 G HA3 0.649 4.609 3.960 -0.000 0.000 0.298 38 G C -1.475 173.468 174.900 0.071 0.000 1.434 38 G CA -0.764 44.382 45.100 0.077 0.000 1.004 38 G HN 0.112 nan 8.290 nan 0.000 0.560 39 M N 0.568 120.211 119.600 0.073 0.000 2.591 39 M HA 0.804 5.284 4.480 -0.000 0.000 0.306 39 M C 0.069 176.420 176.300 0.085 0.000 1.190 39 M CA -0.605 54.736 55.300 0.069 0.000 0.889 39 M CB 2.969 35.599 32.600 0.049 0.000 1.728 39 M HN 0.952 nan 8.290 nan 0.000 0.458 40 G N 0.696 109.554 108.800 0.098 0.000 2.616 40 G HA2 0.780 4.740 3.960 -0.000 0.000 0.294 40 G HA3 0.780 4.740 3.960 -0.000 0.000 0.294 40 G C -2.423 172.566 174.900 0.147 0.000 1.489 40 G CA -0.480 44.711 45.100 0.152 0.000 0.836 40 G HN 0.923 nan 8.290 nan 0.000 0.527 41 A N 0.360 123.304 122.820 0.206 0.000 2.572 41 A HA 0.718 5.037 4.320 -0.000 0.000 0.295 41 A C -1.244 176.481 177.584 0.235 0.000 1.072 41 A CA -0.797 51.336 52.037 0.160 0.000 0.691 41 A CB 1.576 20.628 19.000 0.087 0.000 1.291 41 A HN 1.343 nan 8.150 nan 0.000 0.404 42 H N 1.956 121.065 119.070 0.066 0.000 2.934 42 H HA 0.498 5.054 4.556 -0.000 0.000 0.273 42 H C 0.383 175.753 175.328 0.069 0.000 1.121 42 H CA 0.024 56.105 56.048 0.054 0.000 1.451 42 H CB 0.068 29.830 29.762 0.000 0.000 1.469 42 H HN 0.500 nan 8.280 nan 0.000 0.476 43 L N 2.908 124.026 121.223 -0.174 0.000 2.115 43 L HA 0.145 4.485 4.340 -0.000 0.000 0.200 43 L C 0.823 177.553 176.870 -0.234 0.000 1.094 43 L CA 0.347 55.107 54.840 -0.135 0.000 0.769 43 L CB -0.287 41.770 42.059 -0.004 0.000 0.931 43 L HN 0.371 nan 8.230 nan 0.000 0.455 44 K N 0.574 120.829 120.400 -0.242 0.000 2.098 44 K HA 0.185 4.504 4.320 -0.000 0.000 0.261 44 K C -0.889 175.610 176.600 -0.168 0.000 0.987 44 K CA -0.567 55.639 56.287 -0.134 0.000 0.916 44 K CB 1.066 33.545 32.500 -0.035 0.000 1.039 44 K HN -0.065 nan 8.250 nan 0.000 0.455 45 Y N 0.135 120.393 120.300 -0.071 0.000 2.511 45 Y HA 0.198 4.748 4.550 -0.000 0.000 0.332 45 Y C 1.231 177.185 175.900 0.090 0.000 1.177 45 Y CA 1.449 59.586 58.100 0.060 0.000 1.422 45 Y CB 0.408 38.907 38.460 0.065 0.000 1.271 45 Y HN 0.947 nan 8.280 nan 0.000 0.550 46 G N 3.674 112.164 108.800 -0.517 0.000 2.155 46 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.257 46 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.257 46 G C -0.077 174.770 174.900 -0.087 0.000 0.983 46 G CA 0.455 45.354 45.100 -0.335 0.000 0.676 46 G HN 0.665 nan 8.290 nan 0.000 0.528 47 E N -0.542 119.652 120.200 -0.010 0.000 2.370 47 E HA 0.691 5.040 4.350 -0.000 0.000 0.259 47 E C 0.782 177.368 176.600 -0.023 0.000 0.947 47 E CA -0.735 55.648 56.400 -0.028 0.000 0.809 47 E CB 1.168 30.850 29.700 -0.030 0.000 1.300 47 E HN 0.846 nan 8.360 nan 0.000 0.419 48 A N 1.190 123.932 122.820 -0.131 0.000 2.632 48 A HA -0.111 4.209 4.320 -0.000 0.000 0.231 48 A C -0.346 177.149 177.584 -0.149 0.000 1.027 48 A CA 0.550 52.421 52.037 -0.277 0.000 0.759 48 A CB -0.253 18.489 19.000 -0.430 0.000 0.939 48 A HN 0.422 nan 8.150 nan 0.000 0.505 49 H N 1.080 120.053 119.070 -0.162 0.000 2.505 49 H HA 0.440 4.996 4.556 -0.000 0.000 0.351 49 H C 1.575 176.817 175.328 -0.144 0.000 1.151 49 H CA -0.177 55.809 56.048 -0.105 0.000 1.339 49 H CB 1.206 30.873 29.762 -0.158 0.000 1.483 49 H HN 0.756 nan 8.280 nan 0.000 0.558 50 A N 2.763 125.649 122.820 0.110 0.000 1.958 50 A HA -0.260 4.060 4.320 -0.000 0.000 0.221 50 A C 1.993 179.630 177.584 0.089 0.000 1.178 50 A CA 2.119 54.221 52.037 0.109 0.000 0.642 50 A CB -0.329 18.728 19.000 0.095 0.000 0.816 50 A HN 0.752 nan 8.150 nan 0.000 0.453 51 E N -0.607 119.627 120.200 0.058 0.000 2.152 51 E HA -0.044 4.306 4.350 -0.000 0.000 0.192 51 E C 1.922 178.557 176.600 0.059 0.000 0.983 51 E CA 0.995 57.427 56.400 0.053 0.000 0.818 51 E CB -0.351 29.365 29.700 0.026 0.000 0.758 51 E HN 0.384 nan 8.360 nan 0.000 0.467 52 V N 0.638 120.570 119.914 0.029 0.000 2.270 52 V HA -0.290 3.830 4.120 -0.000 0.000 0.245 52 V C 1.880 178.026 176.094 0.086 0.000 1.043 52 V CA 2.106 64.412 62.300 0.010 0.000 1.014 52 V CB -0.654 31.114 31.823 -0.092 0.000 0.645 52 V HN 0.369 nan 8.190 nan 0.000 0.447 53 H N 0.034 119.140 119.070 0.060 0.000 2.267 53 H HA -0.184 4.372 4.556 -0.000 0.000 0.297 53 H C 2.353 177.726 175.328 0.075 0.000 1.080 53 H CA 1.428 57.499 56.048 0.040 0.000 1.278 53 H CB -0.196 29.584 29.762 0.031 0.000 1.365 53 H HN 0.455 nan 8.280 nan 0.000 0.489 54 A N 1.124 124.073 122.820 0.215 0.000 1.908 54 A HA -0.162 4.157 4.320 -0.000 0.000 0.218 54 A C 2.263 179.924 177.584 0.128 0.000 1.181 54 A CA 1.526 53.651 52.037 0.147 0.000 0.627 54 A CB -0.382 18.689 19.000 0.118 0.000 0.818 54 A HN 0.308 nan 8.150 nan 0.000 0.445 55 I N -0.628 120.013 120.570 0.118 0.000 2.439 55 I HA -0.168 4.002 4.170 -0.000 0.000 0.251 55 I C 2.359 178.533 176.117 0.095 0.000 1.139 55 I CA 1.535 62.887 61.300 0.087 0.000 1.438 55 I CB -1.504 36.533 38.000 0.061 0.000 1.085 55 I HN 0.562 nan 8.210 nan 0.000 0.427 56 H N 1.421 120.516 119.070 0.041 0.000 2.299 56 H HA -0.167 4.389 4.556 -0.000 0.000 0.302 56 H C 2.256 177.595 175.328 0.019 0.000 1.078 56 H CA 1.875 57.940 56.048 0.029 0.000 1.323 56 H CB -0.180 29.611 29.762 0.047 0.000 1.381 56 H HN 0.197 nan 8.280 nan 0.000 0.498 57 M N 0.574 120.352 119.600 0.298 0.000 2.073 57 M HA -0.189 4.291 4.480 -0.000 0.000 0.258 57 M C 2.566 178.903 176.300 0.062 0.000 1.070 57 M CA 2.207 57.621 55.300 0.190 0.000 1.103 57 M CB -0.337 32.352 32.600 0.147 0.000 1.321 57 M HN 0.349 nan 8.290 nan 0.000 0.405 58 A N 0.274 123.132 122.820 0.063 0.000 2.084 58 A HA 0.094 4.414 4.320 -0.000 0.000 0.221 58 A C 1.682 179.244 177.584 -0.036 0.000 1.161 58 A CA 1.549 53.615 52.037 0.050 0.000 0.653 58 A CB -1.759 17.279 19.000 0.065 0.000 0.802 58 A HN 0.840 nan 8.150 nan 0.000 0.457 59 G N -1.230 107.509 108.800 -0.102 0.000 2.627 59 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.312 59 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.312 59 G C 1.371 176.176 174.900 -0.158 0.000 1.299 59 G CA 1.679 46.667 45.100 -0.187 0.000 0.989 59 G HN 1.571 nan 8.290 nan 0.000 0.547 60 A N -1.462 121.224 122.820 -0.224 0.000 2.070 60 A HA 0.030 4.350 4.320 -0.000 0.000 0.220 60 A C 1.852 179.416 177.584 -0.033 0.000 1.159 60 A CA 2.151 54.106 52.037 -0.136 0.000 0.656 60 A CB -0.647 18.270 19.000 -0.139 0.000 0.800 60 A HN 0.817 nan 8.150 nan 0.000 0.453 61 H N -0.949 118.113 119.070 -0.013 0.000 2.563 61 H HA 0.207 4.763 4.556 -0.000 0.000 0.272 61 H C 2.167 177.493 175.328 -0.002 0.000 1.005 61 H CA 0.068 56.114 56.048 -0.004 0.000 1.171 61 H CB 0.129 29.891 29.762 -0.000 0.000 1.351 61 H HN 0.587 nan 8.280 nan 0.000 0.602 62 A N 1.036 123.904 122.820 0.080 0.000 1.969 62 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 62 A C 1.154 178.761 177.584 0.038 0.000 1.169 62 A CA 0.429 52.494 52.037 0.047 0.000 0.635 62 A CB -0.088 18.921 19.000 0.015 0.000 0.810 62 A HN 0.412 nan 8.150 nan 0.000 0.445 63 E N -1.258 118.965 120.200 0.038 0.000 2.392 63 E HA 0.360 4.709 4.350 -0.000 0.000 0.264 63 E C 1.234 177.853 176.600 0.031 0.000 1.024 63 E CA 0.653 57.069 56.400 0.027 0.000 0.903 63 E CB 0.169 29.883 29.700 0.025 0.000 0.963 63 E HN 0.598 nan 8.360 nan 0.000 0.432 64 G N 2.285 111.096 108.800 0.017 0.000 2.200 64 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.268 64 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.268 64 G C 0.390 175.303 174.900 0.021 0.000 0.986 64 G CA 0.593 45.702 45.100 0.016 0.000 0.677 64 G HN 0.747 nan 8.290 nan 0.000 0.532 65 A N -0.956 121.880 122.820 0.026 0.000 2.301 65 A HA 0.723 5.043 4.320 -0.000 0.000 0.287 65 A C 0.177 177.777 177.584 0.027 0.000 1.274 65 A CA 0.229 52.286 52.037 0.034 0.000 0.865 65 A CB 0.625 19.652 19.000 0.044 0.000 1.324 65 A HN 0.227 nan 8.150 nan 0.000 0.508 66 D N -1.550 118.878 120.400 0.046 0.000 2.493 66 D HA 0.695 5.334 4.640 -0.000 0.000 0.239 66 D C -1.142 175.183 176.300 0.042 0.000 1.049 66 D CA 0.071 54.096 54.000 0.042 0.000 1.008 66 D CB 2.009 42.898 40.800 0.148 0.000 1.398 66 D HN 0.482 nan 8.370 nan 0.000 0.513 67 I N 0.606 121.164 120.570 -0.019 0.000 2.680 67 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 67 I C -1.839 174.277 176.117 -0.000 0.000 1.244 67 I CA -0.658 60.674 61.300 0.053 0.000 1.042 67 I CB 1.178 39.199 38.000 0.035 0.000 1.277 67 I HN 0.205 nan 8.210 nan 0.000 0.423 68 Y N 6.467 126.847 120.300 0.133 0.000 2.369 68 Y HA 0.568 5.118 4.550 -0.000 0.000 0.337 68 Y C -0.206 175.752 175.900 0.097 0.000 0.961 68 Y CA -0.786 57.412 58.100 0.163 0.000 1.186 68 Y CB 1.561 40.082 38.460 0.101 0.000 1.139 68 Y HN 0.162 nan 8.280 nan 0.000 0.494 69 V N 2.633 122.652 119.914 0.175 0.000 2.483 69 V HA 0.190 4.310 4.120 -0.000 0.000 0.295 69 V C 0.829 176.978 176.094 0.092 0.000 1.035 69 V CA -0.576 61.785 62.300 0.103 0.000 0.896 69 V CB 1.934 33.785 31.823 0.046 0.000 0.986 69 V HN 0.889 nan 8.190 nan 0.000 0.447 70 T N 1.752 116.343 114.554 0.062 0.000 3.215 70 T HA 0.272 4.622 4.350 -0.000 0.000 0.254 70 T C -0.133 174.578 174.700 0.018 0.000 1.149 70 T CA 0.244 62.370 62.100 0.044 0.000 1.042 70 T CB -0.318 68.564 68.868 0.023 0.000 0.966 70 T HN 0.381 nan 8.240 nan 0.000 0.534 71 L N 0.474 121.701 121.223 0.007 0.000 2.787 71 L HA 0.344 4.684 4.340 -0.000 0.000 0.260 71 L C -0.731 176.127 176.870 -0.021 0.000 0.921 71 L CA -0.699 54.136 54.840 -0.009 0.000 0.984 71 L CB 1.831 43.866 42.059 -0.040 0.000 1.519 71 L HN 0.264 nan 8.230 nan 0.000 0.452 72 E N 5.643 125.839 120.200 -0.008 0.000 3.379 72 E HA -0.069 4.281 4.350 -0.000 0.000 0.257 72 E C -2.059 174.517 176.600 -0.039 0.000 0.882 72 E CA -0.405 55.985 56.400 -0.016 0.000 0.962 72 E CB 0.351 30.048 29.700 -0.005 0.000 0.900 72 E HN 0.404 nan 8.360 nan 0.000 0.560 73 P HA -0.055 nan 4.420 nan 0.000 0.265 73 P C -0.463 176.796 177.300 -0.069 0.000 1.193 73 P CA -0.357 62.703 63.100 -0.066 0.000 0.765 73 P CB 0.235 31.904 31.700 -0.052 0.000 0.823 74 c N 2.211 120.754 118.600 -0.096 0.000 2.298 74 c HA 0.141 4.711 4.570 -0.000 0.000 0.395 74 c C 1.171 175.206 174.090 -0.091 0.000 1.526 74 c CA 0.328 56.624 56.329 -0.054 0.000 1.458 74 c CB -1.608 40.872 42.510 -0.051 0.000 2.506 74 c HN 0.634 nan 8.230 nan 0.000 0.604 75 S N 2.489 118.171 115.700 -0.031 0.000 2.741 75 S HA 0.238 4.707 4.470 -0.000 0.000 0.247 75 S C 0.162 174.684 174.600 -0.128 0.000 1.050 75 S CA -0.414 57.720 58.200 -0.110 0.000 1.025 75 S CB -0.499 62.679 63.200 -0.038 0.000 0.897 75 S HN 1.087 nan 8.310 nan 0.000 0.508 76 H N -0.765 118.201 119.070 -0.174 0.000 2.573 76 H HA 0.463 5.019 4.556 -0.000 0.000 0.351 76 H C -1.736 173.457 175.328 -0.225 0.000 1.163 76 H CA -0.999 54.980 56.048 -0.116 0.000 1.205 76 H CB 0.561 30.313 29.762 -0.017 0.000 1.605 76 H HN 0.205 nan 8.280 nan 0.000 0.525 77 Y N 1.701 122.007 120.300 0.010 0.000 2.595 77 Y HA 0.387 4.937 4.550 -0.000 0.000 0.347 77 Y C 0.975 176.899 175.900 0.040 0.000 1.025 77 Y CA 0.237 58.316 58.100 -0.033 0.000 1.295 77 Y CB 1.035 39.493 38.460 -0.003 0.000 1.147 77 Y HN 0.889 nan 8.280 nan 0.000 0.515 78 G N 1.693 110.536 108.800 0.072 0.000 3.008 78 G HA2 0.151 4.111 3.960 -0.000 0.000 0.181 78 G HA3 0.151 4.111 3.960 -0.000 0.000 0.181 78 G C 0.690 175.631 174.900 0.069 0.000 1.309 78 G CA -0.619 44.560 45.100 0.131 0.000 1.009 78 G HN 0.428 nan 8.290 nan 0.000 0.584 79 K N -0.344 120.086 120.400 0.050 0.000 2.089 79 K HA -0.071 4.249 4.320 -0.000 0.000 0.210 79 K C 1.183 177.787 176.600 0.007 0.000 1.048 79 K CA 2.131 58.434 56.287 0.027 0.000 0.926 79 K CB -0.766 31.743 32.500 0.014 0.000 0.714 79 K HN 0.575 nan 8.250 nan 0.000 0.448 80 T N -1.063 113.473 114.554 -0.029 0.000 2.932 80 T HA 0.544 4.894 4.350 -0.000 0.000 0.289 80 T C -2.702 171.946 174.700 -0.087 0.000 1.039 80 T CA -2.391 59.679 62.100 -0.050 0.000 1.024 80 T CB 1.652 70.471 68.868 -0.082 0.000 1.090 80 T HN -0.166 nan 8.240 nan 0.000 0.496 81 P HA 0.194 nan 4.420 nan 0.000 0.266 81 P C -2.219 174.936 177.300 -0.242 0.000 1.195 81 P CA -0.830 62.198 63.100 -0.120 0.000 0.768 81 P CB -0.310 31.366 31.700 -0.040 0.000 0.838 82 P HA -0.042 nan 4.420 nan 0.000 0.270 82 P C 0.274 177.447 177.300 -0.212 0.000 1.223 82 P CA -0.056 62.803 63.100 -0.401 0.000 0.785 82 P CB 0.605 31.968 31.700 -0.562 0.000 0.923 83 c N 1.229 119.756 118.600 -0.122 0.000 2.422 83 c HA -0.082 4.487 4.570 -0.000 0.000 0.279 83 c C 2.974 177.021 174.090 -0.071 0.000 1.305 83 c CA 1.303 57.598 56.329 -0.056 0.000 1.757 83 c CB -2.055 40.448 42.510 -0.011 0.000 1.962 83 c HN 0.656 nan 8.230 nan 0.000 0.499 84 A N 0.838 123.600 122.820 -0.097 0.000 1.902 84 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 84 A C 2.074 179.614 177.584 -0.073 0.000 1.181 84 A CA 2.109 54.098 52.037 -0.079 0.000 0.623 84 A CB -0.540 18.411 19.000 -0.082 0.000 0.818 84 A HN 0.555 nan 8.150 nan 0.000 0.443 85 E N -0.589 119.548 120.200 -0.105 0.000 2.208 85 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 85 E C 1.760 178.336 176.600 -0.040 0.000 0.988 85 E CA 0.422 56.785 56.400 -0.062 0.000 0.828 85 E CB -0.165 29.485 29.700 -0.083 0.000 0.763 85 E HN 0.366 nan 8.360 nan 0.000 0.478 86 L N 0.521 121.712 121.223 -0.054 0.000 2.156 86 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 86 L C 1.791 178.649 176.870 -0.019 0.000 1.095 86 L CA 1.152 55.974 54.840 -0.031 0.000 0.770 86 L CB -0.622 41.418 42.059 -0.032 0.000 0.914 86 L HN 0.253 nan 8.230 nan 0.000 0.439 87 I N -0.032 120.523 120.570 -0.025 0.000 2.133 87 I HA -0.302 3.868 4.170 -0.000 0.000 0.238 87 I C 2.656 178.762 176.117 -0.019 0.000 1.074 87 I CA 1.241 62.529 61.300 -0.020 0.000 1.342 87 I CB -0.916 37.066 38.000 -0.030 0.000 1.053 87 I HN 0.177 nan 8.210 nan 0.000 0.404 88 I N 1.112 121.669 120.570 -0.022 0.000 2.236 88 I HA -0.363 3.807 4.170 -0.000 0.000 0.249 88 I C 1.983 178.095 176.117 -0.009 0.000 1.102 88 I CA 1.742 63.032 61.300 -0.016 0.000 1.365 88 I CB -0.542 37.453 38.000 -0.009 0.000 1.051 88 I HN 0.336 nan 8.210 nan 0.000 0.420 89 N N 0.091 118.787 118.700 -0.006 0.000 2.207 89 N HA -0.125 4.615 4.740 -0.000 0.000 0.182 89 N C 1.925 177.432 175.510 -0.005 0.000 1.020 89 N CA 1.333 54.381 53.050 -0.003 0.000 0.858 89 N CB -0.154 38.334 38.487 0.001 0.000 0.991 89 N HN 0.308 nan 8.380 nan 0.000 0.427 90 S N -0.574 115.123 115.700 -0.006 0.000 2.465 90 S HA -0.015 4.455 4.470 -0.000 0.000 0.241 90 S C 1.631 176.229 174.600 -0.004 0.000 1.000 90 S CA 0.992 59.189 58.200 -0.006 0.000 0.964 90 S CB -0.591 62.608 63.200 -0.002 0.000 0.763 90 S HN 0.484 nan 8.310 nan 0.000 0.512 91 G N 0.616 109.413 108.800 -0.005 0.000 2.141 91 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.231 91 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.231 91 G C 0.006 174.902 174.900 -0.005 0.000 0.984 91 G CA -0.100 44.998 45.100 -0.004 0.000 0.660 91 G HN 0.476 nan 8.290 nan 0.000 0.525 92 I N 0.330 120.895 120.570 -0.009 0.000 2.815 92 I HA 0.091 4.261 4.170 -0.000 0.000 0.291 92 I C 1.299 177.398 176.117 -0.029 0.000 1.209 92 I CA 0.653 61.944 61.300 -0.015 0.000 1.431 92 I CB 0.790 38.776 38.000 -0.023 0.000 1.351 92 I HN 0.003 nan 8.210 nan 0.000 0.585 93 K N 5.609 125.990 120.400 -0.032 0.000 2.360 93 K HA 0.264 4.584 4.320 -0.000 0.000 0.196 93 K C 0.318 176.868 176.600 -0.085 0.000 1.049 93 K CA 0.313 56.573 56.287 -0.045 0.000 1.049 93 K CB 0.704 33.189 32.500 -0.024 0.000 0.881 93 K HN 0.527 nan 8.250 nan 0.000 0.542 94 R N 0.260 120.692 120.500 -0.113 0.000 2.584 94 R HA 0.483 4.823 4.340 -0.000 0.000 0.276 94 R C -1.300 174.815 176.300 -0.309 0.000 1.046 94 R CA -0.586 55.371 56.100 -0.237 0.000 0.906 94 R CB 2.558 32.716 30.300 -0.237 0.000 1.215 94 R HN -0.244 nan 8.270 nan 0.000 0.449 95 V N 3.494 123.135 119.914 -0.454 0.000 2.656 95 V HA 0.543 4.662 4.120 -0.000 0.000 0.307 95 V C -1.237 174.501 176.094 -0.594 0.000 1.051 95 V CA -0.682 61.389 62.300 -0.382 0.000 0.893 95 V CB 1.938 33.639 31.823 -0.205 0.000 0.999 95 V HN 0.546 nan 8.190 nan 0.000 0.426 96 F N 3.581 123.371 119.950 -0.265 0.000 2.460 96 F HA 0.633 5.159 4.527 -0.000 0.000 0.341 96 F C 0.007 175.770 175.800 -0.062 0.000 1.130 96 F CA -0.750 57.140 58.000 -0.184 0.000 0.962 96 F CB 1.887 40.701 39.000 -0.311 0.000 1.171 96 F HN 0.166 nan 8.300 nan 0.000 0.436 97 V N 2.928 122.903 119.914 0.102 0.000 2.532 97 V HA 0.539 4.659 4.120 -0.000 0.000 0.295 97 V C 0.654 176.810 176.094 0.103 0.000 1.041 97 V CA -0.409 61.938 62.300 0.079 0.000 0.926 97 V CB 1.463 33.302 31.823 0.026 0.000 0.992 97 V HN 0.923 nan 8.190 nan 0.000 0.457 98 A N 4.663 127.537 122.820 0.089 0.000 1.984 98 A HA 0.454 4.774 4.320 -0.000 0.000 0.214 98 A C 0.660 178.279 177.584 0.059 0.000 1.173 98 A CA 1.095 53.181 52.037 0.082 0.000 0.673 98 A CB 0.018 19.061 19.000 0.071 0.000 0.830 98 A HN 0.981 nan 8.150 nan 0.000 0.453 99 M N -2.585 117.043 119.600 0.046 0.000 2.605 99 M HA 0.471 4.951 4.480 -0.000 0.000 0.281 99 M C -1.320 174.998 176.300 0.031 0.000 1.166 99 M CA -0.768 54.556 55.300 0.039 0.000 0.875 99 M CB 1.273 33.898 32.600 0.042 0.000 1.732 99 M HN -0.048 nan 8.290 nan 0.000 0.504 100 R N 0.684 121.200 120.500 0.028 0.000 2.637 100 R HA 0.313 4.653 4.340 -0.000 0.000 0.269 100 R C -0.624 175.695 176.300 0.032 0.000 1.089 100 R CA -0.610 55.503 56.100 0.022 0.000 1.177 100 R CB 0.436 30.746 30.300 0.016 0.000 1.091 100 R HN 0.761 nan 8.270 nan 0.000 0.540 101 D N 1.438 121.856 120.400 0.029 0.000 2.488 101 D HA -0.034 4.606 4.640 -0.000 0.000 0.238 101 D C -1.156 175.174 176.300 0.049 0.000 1.138 101 D CA -0.984 53.044 54.000 0.047 0.000 0.873 101 D CB 0.871 41.692 40.800 0.036 0.000 1.183 101 D HN 0.211 nan 8.370 nan 0.000 0.458 102 P HA -0.168 nan 4.420 nan 0.000 0.220 102 P C 0.168 177.463 177.300 -0.009 0.000 1.148 102 P CA 0.403 63.526 63.100 0.038 0.000 0.803 102 P CB 0.086 31.819 31.700 0.055 0.000 0.782 103 N N 0.855 119.551 118.700 -0.006 0.000 2.513 103 N HA 0.038 4.777 4.740 -0.000 0.000 0.268 103 N C -1.656 173.841 175.510 -0.021 0.000 1.180 103 N CA -1.479 51.553 53.050 -0.031 0.000 0.948 103 N CB 1.080 39.552 38.487 -0.025 0.000 1.083 103 N HN -0.114 nan 8.380 nan 0.000 0.455 104 P HA -0.082 nan 4.420 nan 0.000 0.216 104 P C 1.244 178.536 177.300 -0.013 0.000 1.153 104 P CA 0.609 63.695 63.100 -0.022 0.000 0.844 104 P CB 0.237 31.919 31.700 -0.031 0.000 0.787 105 L N -1.415 119.799 121.223 -0.015 0.000 2.610 105 L HA 0.024 4.363 4.340 -0.000 0.000 0.232 105 L C 1.203 178.076 176.870 0.004 0.000 1.149 105 L CA 1.279 56.115 54.840 -0.006 0.000 0.872 105 L CB -0.385 41.669 42.059 -0.008 0.000 0.992 105 L HN -0.194 nan 8.230 nan 0.000 0.447 106 V N -1.316 118.601 119.914 0.004 0.000 3.431 106 V HA 0.394 4.514 4.120 -0.000 0.000 0.255 106 V C 1.284 177.386 176.094 0.014 0.000 1.403 106 V CA 0.171 62.480 62.300 0.014 0.000 1.101 106 V CB -0.185 31.647 31.823 0.015 0.000 0.891 106 V HN 0.317 nan 8.190 nan 0.000 0.446 107 A N 0.931 123.756 122.820 0.009 0.000 2.565 107 A HA 0.389 4.709 4.320 -0.000 0.000 0.237 107 A C 1.775 179.363 177.584 0.007 0.000 1.053 107 A CA 1.060 53.102 52.037 0.009 0.000 0.755 107 A CB -0.704 18.299 19.000 0.007 0.000 0.980 107 A HN 1.602 nan 8.150 nan 0.000 0.506 108 G N 1.564 110.367 108.800 0.006 0.000 2.238 108 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.270 108 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.270 108 G C 1.310 176.212 174.900 0.002 0.000 0.977 108 G CA 1.292 46.394 45.100 0.002 0.000 0.639 108 G HN 1.006 nan 8.290 nan 0.000 0.544 109 R N 0.388 120.893 120.500 0.008 0.000 2.066 109 R HA 0.027 4.367 4.340 -0.000 0.000 0.232 109 R C 2.938 179.242 176.300 0.007 0.000 1.131 109 R CA 2.126 58.234 56.100 0.013 0.000 0.955 109 R CB -0.832 29.482 30.300 0.024 0.000 0.851 109 R HN 0.422 nan 8.270 nan 0.000 0.432 110 G N 1.426 110.226 108.800 -0.000 0.000 2.408 110 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 110 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 110 G C 1.442 176.330 174.900 -0.020 0.000 1.150 110 G CA 0.531 45.622 45.100 -0.016 0.000 0.776 110 G HN 0.173 nan 8.290 nan 0.000 0.542 111 I N 2.425 122.984 120.570 -0.018 0.000 2.118 111 I HA -0.244 3.926 4.170 -0.000 0.000 0.241 111 I C 3.176 179.278 176.117 -0.026 0.000 1.070 111 I CA 2.139 63.423 61.300 -0.026 0.000 1.327 111 I CB -1.363 36.625 38.000 -0.021 0.000 1.034 111 I HN 0.386 nan 8.210 nan 0.000 0.405 112 S N 0.820 116.512 115.700 -0.015 0.000 2.383 112 S HA -0.221 4.249 4.470 -0.000 0.000 0.227 112 S C 2.104 176.699 174.600 -0.007 0.000 1.026 112 S CA 1.182 59.375 58.200 -0.011 0.000 0.981 112 S CB -0.802 62.397 63.200 -0.003 0.000 0.818 112 S HN 0.484 nan 8.310 nan 0.000 0.472 113 M N 0.242 119.841 119.600 -0.002 0.000 2.202 113 M HA -0.040 4.440 4.480 -0.000 0.000 0.262 113 M C 2.133 178.429 176.300 -0.005 0.000 1.063 113 M CA 1.544 56.849 55.300 0.007 0.000 1.097 113 M CB -0.253 32.354 32.600 0.012 0.000 1.382 113 M HN 0.377 nan 8.290 nan 0.000 0.413 114 M N -0.364 119.224 119.600 -0.021 0.000 2.191 114 M HA -0.123 4.357 4.480 -0.000 0.000 0.262 114 M C 2.010 178.288 176.300 -0.036 0.000 1.083 114 M CA 1.379 56.659 55.300 -0.033 0.000 1.154 114 M CB -0.214 32.357 32.600 -0.049 0.000 1.344 114 M HN 0.086 nan 8.290 nan 0.000 0.431 115 K N 0.206 120.582 120.400 -0.039 0.000 2.059 115 K HA -0.264 4.056 4.320 -0.000 0.000 0.212 115 K C 1.767 178.350 176.600 -0.028 0.000 1.050 115 K CA 1.747 58.010 56.287 -0.040 0.000 0.927 115 K CB -0.442 32.037 32.500 -0.035 0.000 0.714 115 K HN 0.192 nan 8.250 nan 0.000 0.447 116 E N 0.246 120.436 120.200 -0.018 0.000 2.339 116 E HA -0.159 4.191 4.350 -0.000 0.000 0.201 116 E C 0.828 177.422 176.600 -0.009 0.000 1.015 116 E CA 1.143 57.538 56.400 -0.009 0.000 0.841 116 E CB -0.014 29.686 29.700 0.000 0.000 0.754 116 E HN 0.372 nan 8.360 nan 0.000 0.508 117 A N -1.365 121.446 122.820 -0.014 0.000 2.610 117 A HA 0.534 4.854 4.320 -0.000 0.000 0.286 117 A C 1.301 178.873 177.584 -0.020 0.000 1.306 117 A CA 0.378 52.408 52.037 -0.013 0.000 0.942 117 A CB -0.457 18.537 19.000 -0.010 0.000 1.112 117 A HN 0.252 nan 8.150 nan 0.000 0.527 118 G N -0.300 108.485 108.800 -0.024 0.000 2.162 118 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.260 118 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.260 118 G C 0.084 174.959 174.900 -0.042 0.000 0.976 118 G CA 0.281 45.364 45.100 -0.029 0.000 0.655 118 G HN 0.405 nan 8.290 nan 0.000 0.533 119 I N 1.128 121.667 120.570 -0.051 0.000 2.496 119 I HA 0.253 4.423 4.170 -0.000 0.000 0.285 119 I C 0.803 176.863 176.117 -0.095 0.000 1.080 119 I CA -0.481 60.774 61.300 -0.074 0.000 1.404 119 I CB 1.162 39.115 38.000 -0.078 0.000 1.403 119 I HN 0.198 nan 8.210 nan 0.000 0.539 120 E N 5.497 125.623 120.200 -0.125 0.000 2.229 120 E HA 0.385 4.735 4.350 -0.000 0.000 0.283 120 E C -1.359 175.107 176.600 -0.224 0.000 1.030 120 E CA -0.381 55.930 56.400 -0.148 0.000 0.836 120 E CB 1.235 30.846 29.700 -0.148 0.000 1.068 120 E HN 0.335 nan 8.360 nan 0.000 0.401 121 V N 5.864 125.664 119.914 -0.189 0.000 2.487 121 V HA 0.440 4.560 4.120 -0.000 0.000 0.298 121 V C 0.233 176.212 176.094 -0.191 0.000 1.028 121 V CA -0.946 61.222 62.300 -0.220 0.000 0.860 121 V CB 1.513 33.254 31.823 -0.137 0.000 0.991 121 V HN 0.610 nan 8.190 nan 0.000 0.427 122 R N 2.692 123.040 120.500 -0.254 0.000 2.705 122 R HA 0.830 5.170 4.340 -0.000 0.000 0.246 122 R C -0.616 175.675 176.300 -0.014 0.000 1.142 122 R CA -0.734 55.307 56.100 -0.099 0.000 1.114 122 R CB 1.875 32.158 30.300 -0.028 0.000 1.256 122 R HN 0.796 nan 8.270 nan 0.000 0.536 123 E N -2.090 118.144 120.200 0.055 0.000 2.447 123 E HA 0.330 4.680 4.350 -0.000 0.000 0.279 123 E C -0.175 176.477 176.600 0.086 0.000 1.053 123 E CA -0.167 56.271 56.400 0.064 0.000 0.840 123 E CB 2.030 31.748 29.700 0.030 0.000 1.409 123 E HN 0.662 nan 8.360 nan 0.000 0.461 124 G N 0.328 109.172 108.800 0.074 0.000 2.284 124 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.261 124 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.261 124 G C 0.187 175.136 174.900 0.082 0.000 0.997 124 G CA 0.496 45.637 45.100 0.069 0.000 0.621 124 G HN 0.312 nan 8.290 nan 0.000 0.534 125 I N 1.778 122.417 120.570 0.115 0.000 2.845 125 I HA 0.155 4.325 4.170 -0.000 0.000 0.290 125 I C 1.714 177.882 176.117 0.086 0.000 1.202 125 I CA 0.860 62.229 61.300 0.115 0.000 1.406 125 I CB -0.018 38.085 38.000 0.172 0.000 1.383 125 I HN 0.392 nan 8.210 nan 0.000 0.549 126 L N 4.510 125.768 121.223 0.058 0.000 3.717 126 L HA -0.362 3.977 4.340 -0.000 0.000 0.414 126 L C 1.843 178.737 176.870 0.040 0.000 1.228 126 L CA 0.360 55.222 54.840 0.038 0.000 0.918 126 L CB -1.717 40.358 42.059 0.028 0.000 1.865 126 L HN 0.885 nan 8.230 nan 0.000 0.922 127 A N -0.291 122.556 122.820 0.045 0.000 1.892 127 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 127 A C 1.693 179.298 177.584 0.034 0.000 1.188 127 A CA 2.445 54.507 52.037 0.042 0.000 0.631 127 A CB -0.253 18.772 19.000 0.042 0.000 0.822 127 A HN 0.637 nan 8.150 nan 0.000 0.447 128 D N -0.548 119.870 120.400 0.030 0.000 2.087 128 D HA -0.170 4.470 4.640 -0.000 0.000 0.192 128 D C 2.272 178.585 176.300 0.022 0.000 0.993 128 D CA 1.634 55.650 54.000 0.026 0.000 0.828 128 D CB -0.318 40.496 40.800 0.023 0.000 0.968 128 D HN 0.575 nan 8.370 nan 0.000 0.448 129 Q N 0.115 119.925 119.800 0.016 0.000 2.112 129 Q HA -0.190 4.150 4.340 -0.000 0.000 0.206 129 Q C 2.243 178.248 176.000 0.009 0.000 0.987 129 Q CA 1.473 57.281 55.803 0.008 0.000 0.858 129 Q CB -0.289 28.449 28.738 0.001 0.000 0.905 129 Q HN 0.313 nan 8.270 nan 0.000 0.420 130 A N 0.498 123.328 122.820 0.017 0.000 2.067 130 A HA -0.188 4.131 4.320 -0.000 0.000 0.219 130 A C 1.830 179.427 177.584 0.022 0.000 1.158 130 A CA 1.442 53.490 52.037 0.018 0.000 0.661 130 A CB -0.210 18.808 19.000 0.029 0.000 0.801 130 A HN 0.273 nan 8.150 nan 0.000 0.452 131 E N -0.006 120.210 120.200 0.027 0.000 2.014 131 E HA -0.086 4.263 4.350 -0.000 0.000 0.190 131 E C 2.250 178.865 176.600 0.024 0.000 0.980 131 E CA 0.814 57.235 56.400 0.036 0.000 0.807 131 E CB -0.145 29.578 29.700 0.038 0.000 0.770 131 E HN 0.353 nan 8.360 nan 0.000 0.451 132 R N 0.468 120.977 120.500 0.015 0.000 2.133 132 R HA -0.230 4.110 4.340 -0.000 0.000 0.245 132 R C 2.436 178.727 176.300 -0.016 0.000 1.137 132 R CA 1.465 57.566 56.100 0.001 0.000 0.947 132 R CB -1.514 28.788 30.300 0.005 0.000 0.865 132 R HN 0.285 nan 8.270 nan 0.000 0.437 133 L N 1.912 123.128 121.223 -0.013 0.000 1.976 133 L HA -0.223 4.116 4.340 -0.000 0.000 0.223 133 L C 0.998 177.848 176.870 -0.035 0.000 1.081 133 L CA 2.042 56.867 54.840 -0.025 0.000 0.784 133 L CB -0.558 41.487 42.059 -0.023 0.000 0.896 133 L HN 0.202 nan 8.230 nan 0.000 0.438 134 N N -0.316 118.374 118.700 -0.017 0.000 2.320 134 N HA -0.014 4.726 4.740 -0.000 0.000 0.237 134 N C 1.129 176.679 175.510 0.066 0.000 1.129 134 N CA 0.267 53.322 53.050 0.007 0.000 0.854 134 N CB 0.274 38.747 38.487 -0.024 0.000 1.083 134 N HN 0.539 nan 8.380 nan 0.000 0.504 135 E N 1.988 122.175 120.200 -0.023 0.000 2.119 135 E HA -0.299 4.051 4.350 -0.000 0.000 0.221 135 E C 1.137 177.641 176.600 -0.160 0.000 1.062 135 E CA 1.819 58.167 56.400 -0.085 0.000 0.894 135 E CB 0.223 29.817 29.700 -0.176 0.000 0.785 135 E HN 0.319 nan 8.360 nan 0.000 0.472 136 K N -0.261 119.924 120.400 -0.359 0.000 1.987 136 K HA -0.210 4.110 4.320 -0.000 0.000 0.216 136 K C 2.169 178.820 176.600 0.085 0.000 1.051 136 K CA 1.736 57.798 56.287 -0.375 0.000 0.942 136 K CB -0.686 31.610 32.500 -0.339 0.000 0.722 136 K HN 0.202 nan 8.250 nan 0.000 0.444 137 F N 2.206 122.149 119.950 -0.011 0.000 2.085 137 F HA -0.299 4.228 4.527 -0.000 0.000 0.299 137 F C 1.797 177.700 175.800 0.171 0.000 1.096 137 F CA 1.409 59.469 58.000 0.100 0.000 1.227 137 F CB -0.297 38.732 39.000 0.047 0.000 0.983 137 F HN -0.101 nan 8.300 nan 0.000 0.482 138 L N 0.314 121.711 121.223 0.289 0.000 1.989 138 L HA -0.244 4.096 4.340 -0.000 0.000 0.211 138 L C 2.488 179.393 176.870 0.058 0.000 1.071 138 L CA 2.395 57.329 54.840 0.156 0.000 0.749 138 L CB -1.809 40.356 42.059 0.176 0.000 0.890 138 L HN 0.349 nan 8.230 nan 0.000 0.431 139 H N -1.207 117.904 119.070 0.068 0.000 2.265 139 H HA -0.298 4.258 4.556 -0.000 0.000 0.295 139 H C 2.157 177.534 175.328 0.082 0.000 1.084 139 H CA 2.260 58.375 56.048 0.112 0.000 1.261 139 H CB -0.416 29.506 29.762 0.266 0.000 1.360 139 H HN 0.205 nan 8.280 nan 0.000 0.487 140 F N 0.432 120.415 119.950 0.055 0.000 2.063 140 F HA -0.318 4.209 4.527 -0.000 0.000 0.298 140 F C 2.219 177.896 175.800 -0.204 0.000 1.109 140 F CA 1.980 59.952 58.000 -0.047 0.000 1.212 140 F CB -0.386 38.581 39.000 -0.055 0.000 0.973 140 F HN 0.231 nan 8.300 nan 0.000 0.480 141 M N -0.129 119.273 119.600 -0.330 0.000 2.229 141 M HA -0.138 4.342 4.480 -0.000 0.000 0.264 141 M C 2.221 178.337 176.300 -0.307 0.000 1.063 141 M CA 1.564 56.608 55.300 -0.427 0.000 1.114 141 M CB -1.102 31.193 32.600 -0.508 0.000 1.387 141 M HN 0.215 nan 8.290 nan 0.000 0.420 142 R N -0.736 119.616 120.500 -0.245 0.000 2.112 142 R HA -0.020 4.320 4.340 -0.000 0.000 0.216 142 R C 2.171 178.325 176.300 -0.243 0.000 1.080 142 R CA 1.766 57.747 56.100 -0.199 0.000 0.996 142 R CB -0.236 29.980 30.300 -0.139 0.000 0.902 142 R HN 0.496 nan 8.270 nan 0.000 0.449 143 T N -3.889 110.459 114.554 -0.343 0.000 3.037 143 T HA 0.190 4.539 4.350 -0.000 0.000 0.252 143 T C 1.458 175.992 174.700 -0.276 0.000 1.073 143 T CA 0.665 62.568 62.100 -0.327 0.000 1.091 143 T CB 0.881 69.452 68.868 -0.495 0.000 0.935 143 T HN 0.352 nan 8.240 nan 0.000 0.488 144 G N 1.174 109.747 108.800 -0.379 0.000 2.176 144 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.253 144 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.253 144 G C -0.133 174.584 174.900 -0.304 0.000 0.979 144 G CA 0.337 45.181 45.100 -0.427 0.000 0.641 144 G HN 0.648 nan 8.290 nan 0.000 0.530 145 L N 0.550 121.707 121.223 -0.109 0.000 2.333 145 L HA 0.564 4.904 4.340 -0.000 0.000 0.269 145 L C -2.182 174.977 176.870 0.481 0.000 1.010 145 L CA -2.700 52.239 54.840 0.166 0.000 0.818 145 L CB 2.102 44.253 42.059 0.153 0.000 1.306 145 L HN -0.171 nan 8.230 nan 0.000 0.430 146 P HA -0.054 nan 4.420 nan 0.000 0.270 146 P C -1.331 176.225 177.300 0.427 0.000 1.223 146 P CA -0.062 63.322 63.100 0.474 0.000 0.785 146 P CB 0.251 32.123 31.700 0.287 0.000 0.923 147 Y N 2.295 122.719 120.300 0.208 0.000 2.436 147 Y HA 0.304 4.854 4.550 -0.000 0.000 0.343 147 Y C -0.602 175.336 175.900 0.064 0.000 1.008 147 Y CA -0.087 58.007 58.100 -0.012 0.000 1.241 147 Y CB 0.229 38.682 38.460 -0.012 0.000 1.153 147 Y HN 0.017 nan 8.280 nan 0.000 0.521 148 V N 6.590 126.311 119.914 -0.321 0.000 2.394 148 V HA 0.318 4.438 4.120 -0.000 0.000 0.282 148 V C -0.173 175.745 176.094 -0.293 0.000 1.031 148 V CA -0.528 61.679 62.300 -0.155 0.000 0.881 148 V CB 1.524 33.379 31.823 0.055 0.000 0.982 148 V HN 0.835 nan 8.190 nan 0.000 0.451 149 T N 6.806 121.270 114.554 -0.150 0.000 2.786 149 T HA 0.559 4.909 4.350 -0.000 0.000 0.283 149 T C -0.275 174.256 174.700 -0.283 0.000 0.992 149 T CA -0.322 61.683 62.100 -0.158 0.000 0.954 149 T CB 0.718 69.606 68.868 0.033 0.000 0.934 149 T HN 0.331 nan 8.240 nan 0.000 0.440 150 L N 3.556 124.596 121.223 -0.305 0.000 2.312 150 L HA 0.624 4.964 4.340 -0.000 0.000 0.281 150 L C 0.349 176.992 176.870 -0.378 0.000 1.070 150 L CA -0.705 53.920 54.840 -0.359 0.000 0.805 150 L CB 0.819 42.621 42.059 -0.429 0.000 1.174 150 L HN 0.334 nan 8.230 nan 0.000 0.434 151 K N 2.825 123.046 120.400 -0.299 0.000 2.513 151 K HA 0.831 5.151 4.320 -0.000 0.000 0.251 151 K C -1.971 174.629 176.600 0.001 0.000 0.939 151 K CA -0.322 55.847 56.287 -0.196 0.000 0.793 151 K CB 2.469 34.783 32.500 -0.309 0.000 1.241 151 K HN 0.743 nan 8.250 nan 0.000 0.431 152 A N 1.889 124.806 122.820 0.163 0.000 2.606 152 A HA 0.836 5.156 4.320 -0.000 0.000 0.293 152 A C -1.784 175.883 177.584 0.139 0.000 1.082 152 A CA -0.472 51.632 52.037 0.112 0.000 0.685 152 A CB 1.690 20.648 19.000 -0.069 0.000 1.284 152 A HN 0.738 nan 8.150 nan 0.000 0.408 153 A N -0.012 122.853 122.820 0.075 0.000 2.343 153 A HA 0.958 5.278 4.320 -0.000 0.000 0.316 153 A C -0.184 177.447 177.584 0.078 0.000 1.104 153 A CA 0.131 52.236 52.037 0.113 0.000 0.768 153 A CB 1.093 20.139 19.000 0.076 0.000 1.213 153 A HN 2.572 nan 8.150 nan 0.000 0.456 154 A N 1.157 124.077 122.820 0.166 0.000 2.594 154 A HA 0.850 5.170 4.320 -0.000 0.000 0.291 154 A C 0.193 177.899 177.584 0.203 0.000 1.105 154 A CA 0.068 52.193 52.037 0.147 0.000 0.694 154 A CB 0.709 19.772 19.000 0.104 0.000 1.291 154 A HN 2.042 nan 8.150 nan 0.000 0.410 155 S N 0.001 115.753 115.700 0.088 0.000 2.600 155 S HA 0.282 4.752 4.470 -0.000 0.000 0.265 155 S C 1.163 175.746 174.600 -0.027 0.000 1.325 155 S CA 0.149 58.383 58.200 0.056 0.000 1.002 155 S CB 0.380 63.591 63.200 0.018 0.000 0.921 155 S HN 1.708 nan 8.310 nan 0.000 0.554 156 L N 0.938 122.126 121.223 -0.057 0.000 2.151 156 L HA -0.165 4.175 4.340 -0.000 0.000 0.215 156 L C 1.498 178.168 176.870 -0.333 0.000 1.084 156 L CA 2.343 57.058 54.840 -0.209 0.000 0.764 156 L CB -1.095 40.903 42.059 -0.101 0.000 0.891 156 L HN 0.928 nan 8.230 nan 0.000 0.435 157 D N -1.668 118.614 120.400 -0.198 0.000 2.538 157 D HA 0.120 4.760 4.640 -0.000 0.000 0.234 157 D C 1.411 177.605 176.300 -0.177 0.000 1.191 157 D CA 0.514 54.407 54.000 -0.179 0.000 0.828 157 D CB -0.658 40.082 40.800 -0.101 0.000 0.981 157 D HN 0.434 nan 8.370 nan 0.000 0.490 158 G N 0.650 109.300 108.800 -0.251 0.000 2.180 158 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.263 158 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.263 158 G C 0.200 175.048 174.900 -0.088 0.000 0.989 158 G CA 0.366 45.367 45.100 -0.165 0.000 0.692 158 G HN 0.387 nan 8.290 nan 0.000 0.526 159 K N 0.164 120.527 120.400 -0.061 0.000 2.205 159 K HA 0.599 4.919 4.320 -0.000 0.000 0.279 159 K C 1.505 178.095 176.600 -0.018 0.000 1.027 159 K CA -0.302 55.963 56.287 -0.037 0.000 0.932 159 K CB 0.925 33.410 32.500 -0.025 0.000 1.032 159 K HN 0.451 nan 8.250 nan 0.000 0.466 160 I N -0.753 119.804 120.570 -0.023 0.000 3.941 160 I HA 0.533 4.703 4.170 -0.000 0.000 0.335 160 I C 0.107 176.217 176.117 -0.012 0.000 1.402 160 I CA -0.329 60.962 61.300 -0.015 0.000 1.112 160 I CB 0.412 38.395 38.000 -0.028 0.000 1.043 160 I HN 0.375 nan 8.210 nan 0.000 0.395 161 A N 0.671 123.486 122.820 -0.008 0.000 2.481 161 A HA 0.485 4.805 4.320 -0.000 0.000 0.295 161 A C 0.005 177.589 177.584 0.000 0.000 0.986 161 A CA -0.103 51.928 52.037 -0.009 0.000 0.617 161 A CB -0.057 18.932 19.000 -0.019 0.000 1.364 161 A HN 0.336 nan 8.150 nan 0.000 0.452 162 T N -1.201 113.356 114.554 0.005 0.000 2.793 162 T HA 0.494 4.843 4.350 -0.000 0.000 0.299 162 T C 1.574 176.286 174.700 0.020 0.000 1.038 162 T CA 0.695 62.804 62.100 0.015 0.000 0.948 162 T CB 0.449 69.330 68.868 0.021 0.000 1.231 162 T HN 2.028 nan 8.240 nan 0.000 0.538 163 S N -0.631 115.090 115.700 0.034 0.000 2.474 163 S HA -0.080 4.389 4.470 -0.000 0.000 0.235 163 S C 1.720 176.336 174.600 0.026 0.000 0.997 163 S CA 1.064 59.297 58.200 0.055 0.000 0.949 163 S CB -1.304 61.947 63.200 0.086 0.000 0.766 163 S HN 1.060 nan 8.310 nan 0.000 0.517 164 T N -3.509 111.053 114.554 0.013 0.000 3.134 164 T HA 0.562 4.912 4.350 -0.000 0.000 0.260 164 T C 1.476 176.169 174.700 -0.012 0.000 1.027 164 T CA 0.499 62.598 62.100 -0.002 0.000 0.913 164 T CB -0.068 68.800 68.868 -0.001 0.000 1.046 164 T HN 1.050 nan 8.240 nan 0.000 0.553 165 G N 1.570 110.364 108.800 -0.010 0.000 2.205 165 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.261 165 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.261 165 G C -0.077 174.802 174.900 -0.035 0.000 0.980 165 G CA 0.106 45.193 45.100 -0.022 0.000 0.632 165 G HN 0.741 nan 8.290 nan 0.000 0.533 166 D N 1.241 121.622 120.400 -0.031 0.000 2.451 166 D HA 0.386 5.026 4.640 -0.000 0.000 0.254 166 D C 1.287 177.555 176.300 -0.055 0.000 1.204 166 D CA 0.904 54.874 54.000 -0.051 0.000 0.896 166 D CB 0.372 41.156 40.800 -0.025 0.000 1.136 166 D HN 0.581 nan 8.370 nan 0.000 0.499 167 S N 2.341 117.983 115.700 -0.097 0.000 2.843 167 S HA 0.202 4.672 4.470 -0.000 0.000 0.249 167 S C 0.275 174.779 174.600 -0.160 0.000 1.047 167 S CA -0.793 57.355 58.200 -0.086 0.000 1.042 167 S CB 0.038 63.198 63.200 -0.067 0.000 0.936 167 S HN 0.286 nan 8.310 nan 0.000 0.531 168 K N 2.008 122.234 120.400 -0.289 0.000 2.339 168 K HA 0.137 4.456 4.320 -0.000 0.000 0.286 168 K C -0.407 175.958 176.600 -0.393 0.000 1.050 168 K CA -0.328 55.568 56.287 -0.652 0.000 0.956 168 K CB 0.111 31.837 32.500 -1.290 0.000 0.990 168 K HN 0.421 nan 8.250 nan 0.000 0.475 169 W N 2.187 123.488 121.300 0.002 0.000 3.653 169 W HA -0.250 4.410 4.660 -0.000 0.000 0.339 169 W C 0.182 176.708 176.519 0.011 0.000 1.296 169 W CA -0.122 57.226 57.345 0.005 0.000 0.693 169 W CB -2.479 26.984 29.460 0.006 0.000 2.388 169 W HN 0.644 nan 8.180 nan 0.000 1.300 170 I N -0.013 120.635 120.570 0.130 0.000 2.703 170 I HA -0.055 4.115 4.170 -0.000 0.000 0.259 170 I C 1.216 177.398 176.117 0.108 0.000 1.151 170 I CA 1.762 63.128 61.300 0.110 0.000 1.470 170 I CB 0.084 38.123 38.000 0.064 0.000 1.112 170 I HN -0.167 nan 8.210 nan 0.000 0.437 171 T N 0.734 115.335 114.554 0.078 0.000 2.807 171 T HA 0.355 4.705 4.350 -0.000 0.000 0.279 171 T C 0.139 174.878 174.700 0.063 0.000 0.993 171 T CA -0.755 61.380 62.100 0.059 0.000 0.970 171 T CB 1.661 70.514 68.868 -0.025 0.000 0.950 171 T HN 0.161 nan 8.240 nan 0.000 0.441 172 S N 1.434 117.177 115.700 0.072 0.000 2.576 172 S HA 0.084 4.554 4.470 -0.000 0.000 0.272 172 S C 1.243 175.867 174.600 0.040 0.000 1.352 172 S CA -0.447 57.795 58.200 0.070 0.000 1.021 172 S CB 0.759 64.001 63.200 0.069 0.000 0.887 172 S HN 0.759 nan 8.310 nan 0.000 0.542 173 E N 1.866 122.095 120.200 0.047 0.000 2.110 173 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 173 E C 2.101 178.709 176.600 0.012 0.000 0.988 173 E CA 1.716 58.133 56.400 0.028 0.000 0.804 173 E CB -0.958 28.765 29.700 0.038 0.000 0.745 173 E HN 0.815 nan 8.360 nan 0.000 0.458 174 A N 0.673 123.507 122.820 0.024 0.000 1.940 174 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 174 A C 2.378 179.976 177.584 0.023 0.000 1.176 174 A CA 2.267 54.321 52.037 0.028 0.000 0.631 174 A CB -0.968 18.058 19.000 0.043 0.000 0.814 174 A HN 0.384 nan 8.150 nan 0.000 0.446 175 A N -0.194 122.630 122.820 0.005 0.000 1.825 175 A HA -0.125 4.194 4.320 -0.000 0.000 0.214 175 A C 2.157 179.625 177.584 -0.194 0.000 1.206 175 A CA 1.360 53.351 52.037 -0.077 0.000 0.609 175 A CB -0.653 18.272 19.000 -0.124 0.000 0.851 175 A HN 0.488 nan 8.150 nan 0.000 0.445 176 R N -0.927 119.467 120.500 -0.175 0.000 2.165 176 R HA -0.285 4.054 4.340 -0.000 0.000 0.254 176 R C 2.371 178.623 176.300 -0.080 0.000 1.153 176 R CA 2.062 58.078 56.100 -0.140 0.000 0.971 176 R CB -0.450 29.807 30.300 -0.072 0.000 0.878 176 R HN 0.652 nan 8.270 nan 0.000 0.449 177 Q N 0.649 120.421 119.800 -0.048 0.000 2.124 177 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 177 Q C 1.765 177.755 176.000 -0.018 0.000 0.977 177 Q CA 1.764 57.553 55.803 -0.024 0.000 0.850 177 Q CB -0.247 28.485 28.738 -0.009 0.000 0.901 177 Q HN 0.275 nan 8.270 nan 0.000 0.429 178 D N -0.891 119.511 120.400 0.004 0.000 2.085 178 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 178 D C 1.540 177.886 176.300 0.077 0.000 0.981 178 D CA 1.387 55.421 54.000 0.057 0.000 0.834 178 D CB -0.159 40.749 40.800 0.180 0.000 0.992 178 D HN 0.266 nan 8.370 nan 0.000 0.457 179 A N 0.374 123.261 122.820 0.112 0.000 2.139 179 A HA -0.230 4.090 4.320 -0.000 0.000 0.221 179 A C 2.108 179.778 177.584 0.142 0.000 1.159 179 A CA 1.810 54.007 52.037 0.267 0.000 0.662 179 A CB -0.741 18.273 19.000 0.022 0.000 0.796 179 A HN 0.335 nan 8.150 nan 0.000 0.463 180 Q N 0.057 119.861 119.800 0.006 0.000 2.369 180 Q HA -0.182 4.158 4.340 -0.000 0.000 0.206 180 Q C 2.110 178.039 176.000 -0.119 0.000 0.963 180 Q CA 1.656 57.431 55.803 -0.047 0.000 0.894 180 Q CB -0.376 28.338 28.738 -0.040 0.000 0.965 180 Q HN 0.887 nan 8.270 nan 0.000 0.475 181 Q N -1.125 118.563 119.800 -0.186 0.000 2.050 181 Q HA -0.234 4.105 4.340 -0.000 0.000 0.202 181 Q C 1.223 177.019 176.000 -0.340 0.000 0.980 181 Q CA 1.728 57.355 55.803 -0.293 0.000 0.840 181 Q CB -0.602 27.889 28.738 -0.412 0.000 0.898 181 Q HN 0.577 nan 8.270 nan 0.000 0.424 182 Y N 0.736 120.916 120.300 -0.200 0.000 2.483 182 Y HA -0.045 4.505 4.550 -0.000 0.000 0.291 182 Y C 2.051 177.700 175.900 -0.417 0.000 1.143 182 Y CA 0.925 58.839 58.100 -0.311 0.000 1.289 182 Y CB -0.026 37.999 38.460 -0.725 0.000 0.983 182 Y HN 0.093 nan 8.280 nan 0.000 0.556 183 R N 0.267 120.585 120.500 -0.304 0.000 2.323 183 R HA -0.056 4.284 4.340 -0.000 0.000 0.198 183 R C 1.825 178.078 176.300 -0.078 0.000 0.988 183 R CA 0.587 56.570 56.100 -0.195 0.000 1.041 183 R CB 0.029 30.253 30.300 -0.126 0.000 0.926 183 R HN 0.308 nan 8.270 nan 0.000 0.476 184 K N -0.039 120.319 120.400 -0.069 0.000 2.399 184 K HA 0.007 4.327 4.320 -0.000 0.000 0.196 184 K C 1.213 177.797 176.600 -0.027 0.000 1.117 184 K CA 0.848 57.105 56.287 -0.049 0.000 0.965 184 K CB 0.707 33.165 32.500 -0.070 0.000 0.983 184 K HN 0.062 nan 8.250 nan 0.000 0.531 185 T N -1.632 112.926 114.554 0.006 0.000 3.069 185 T HA 0.173 4.523 4.350 -0.000 0.000 0.252 185 T C -0.084 174.562 174.700 -0.091 0.000 1.053 185 T CA -0.259 61.826 62.100 -0.025 0.000 0.964 185 T CB -0.186 68.661 68.868 -0.034 0.000 1.005 185 T HN 0.036 nan 8.240 nan 0.000 0.532 186 H N 0.755 119.823 119.070 -0.005 0.000 2.524 186 H HA 0.484 5.040 4.556 -0.000 0.000 0.353 186 H C 0.601 175.926 175.328 -0.004 0.000 1.136 186 H CA -0.729 55.340 56.048 0.035 0.000 1.193 186 H CB 1.687 31.503 29.762 0.089 0.000 1.558 186 H HN 0.043 nan 8.280 nan 0.000 0.515 187 Q N 1.043 120.890 119.800 0.078 0.000 2.444 187 Q HA 0.140 4.479 4.340 -0.000 0.000 0.206 187 Q C -0.401 175.578 176.000 -0.034 0.000 0.948 187 Q CA 0.242 56.042 55.803 -0.005 0.000 0.946 187 Q CB 0.434 29.144 28.738 -0.047 0.000 1.027 187 Q HN 0.619 nan 8.270 nan 0.000 0.513 188 S N -0.426 115.295 115.700 0.035 0.000 2.552 188 S HA 0.539 5.008 4.470 -0.000 0.000 0.272 188 S C -1.174 173.461 174.600 0.059 0.000 1.150 188 S CA -1.034 57.153 58.200 -0.021 0.000 0.849 188 S CB 1.434 64.587 63.200 -0.079 0.000 1.113 188 S HN 0.031 nan 8.310 nan 0.000 0.458 189 I N 2.333 122.919 120.570 0.025 0.000 2.436 189 I HA 0.583 4.753 4.170 -0.000 0.000 0.289 189 I C -0.532 175.578 176.117 -0.011 0.000 1.010 189 I CA -0.761 60.581 61.300 0.069 0.000 1.098 189 I CB 1.316 39.373 38.000 0.096 0.000 1.266 189 I HN 0.885 nan 8.210 nan 0.000 0.434 190 L N 7.702 128.886 121.223 -0.064 0.000 2.354 190 L HA 0.929 5.269 4.340 -0.000 0.000 0.269 190 L C -1.036 175.761 176.870 -0.121 0.000 1.005 190 L CA -0.565 54.231 54.840 -0.074 0.000 0.819 190 L CB 2.132 44.151 42.059 -0.066 0.000 1.311 190 L HN 0.536 nan 8.230 nan 0.000 0.423 191 V N 0.285 120.152 119.914 -0.078 0.000 3.264 191 V HA 0.806 4.926 4.120 -0.000 0.000 0.294 191 V C -0.229 175.836 176.094 -0.050 0.000 1.429 191 V CA -0.280 61.958 62.300 -0.103 0.000 1.053 191 V CB 1.081 32.850 31.823 -0.091 0.000 1.128 191 V HN 0.859 nan 8.190 nan 0.000 0.452 192 G N -0.138 108.627 108.800 -0.059 0.000 2.504 192 G HA2 0.515 4.475 3.960 -0.000 0.000 0.288 192 G HA3 0.515 4.475 3.960 -0.000 0.000 0.288 192 G C 0.913 175.805 174.900 -0.014 0.000 1.182 192 G CA -0.067 45.020 45.100 -0.023 0.000 0.894 192 G HN 1.768 nan 8.290 nan 0.000 0.521 193 V N 0.737 120.654 119.914 0.006 0.000 2.469 193 V HA -0.123 3.997 4.120 -0.000 0.000 0.251 193 V C 2.915 179.003 176.094 -0.011 0.000 1.064 193 V CA 2.078 64.382 62.300 0.005 0.000 1.066 193 V CB -1.564 30.267 31.823 0.013 0.000 0.667 193 V HN 0.795 nan 8.190 nan 0.000 0.461 194 G N 0.530 109.319 108.800 -0.017 0.000 2.513 194 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.219 194 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.219 194 G C 1.589 176.470 174.900 -0.032 0.000 1.160 194 G CA 1.869 46.955 45.100 -0.025 0.000 0.767 194 G HN 0.504 nan 8.290 nan 0.000 0.571 195 T N 0.469 114.999 114.554 -0.040 0.000 2.833 195 T HA -0.059 4.291 4.350 -0.000 0.000 0.269 195 T C 2.474 177.154 174.700 -0.034 0.000 1.054 195 T CA 1.103 63.176 62.100 -0.045 0.000 1.135 195 T CB -0.094 68.738 68.868 -0.060 0.000 0.869 195 T HN 0.106 nan 8.240 nan 0.000 0.466 196 V N 1.026 120.926 119.914 -0.024 0.000 2.719 196 V HA -0.058 4.061 4.120 -0.000 0.000 0.252 196 V C 2.307 178.388 176.094 -0.021 0.000 1.065 196 V CA 1.316 63.605 62.300 -0.018 0.000 1.086 196 V CB -0.363 31.456 31.823 -0.007 0.000 0.700 196 V HN 0.448 nan 8.190 nan 0.000 0.467 197 K N 0.511 120.897 120.400 -0.022 0.000 2.076 197 K HA 0.040 4.360 4.320 -0.000 0.000 0.204 197 K C 2.318 178.901 176.600 -0.029 0.000 1.051 197 K CA 1.305 57.578 56.287 -0.024 0.000 0.949 197 K CB -0.324 32.163 32.500 -0.021 0.000 0.726 197 K HN 0.428 nan 8.250 nan 0.000 0.443 198 A N 1.521 124.321 122.820 -0.033 0.000 1.897 198 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 198 A C 1.118 178.676 177.584 -0.045 0.000 1.181 198 A CA 1.690 53.703 52.037 -0.039 0.000 0.620 198 A CB 0.024 18.999 19.000 -0.041 0.000 0.821 198 A HN 0.206 nan 8.150 nan 0.000 0.443 199 D N -2.137 118.237 120.400 -0.043 0.000 2.525 199 D HA 0.040 4.679 4.640 -0.000 0.000 0.231 199 D C -0.109 176.169 176.300 -0.036 0.000 1.216 199 D CA 0.056 54.028 54.000 -0.046 0.000 0.813 199 D CB -0.377 40.392 40.800 -0.053 0.000 1.108 199 D HN 0.332 nan 8.370 nan 0.000 0.524 200 N N 2.519 121.201 118.700 -0.029 0.000 2.696 200 N HA -0.129 4.611 4.740 -0.000 0.000 0.271 200 N C -2.569 172.931 175.510 -0.016 0.000 0.997 200 N CA 0.329 53.367 53.050 -0.020 0.000 0.801 200 N CB -0.340 38.136 38.487 -0.020 0.000 0.913 200 N HN 0.157 nan 8.380 nan 0.000 0.557 201 P HA 0.180 nan 4.420 nan 0.000 0.279 201 P C 0.302 177.602 177.300 0.000 0.000 1.252 201 P CA -0.387 62.707 63.100 -0.011 0.000 0.811 201 P CB 1.258 32.949 31.700 -0.014 0.000 1.035 202 S N 1.106 116.809 115.700 0.005 0.000 2.458 202 S HA -0.004 4.466 4.470 -0.000 0.000 0.223 202 S C 1.331 175.940 174.600 0.014 0.000 1.019 202 S CA 0.150 58.358 58.200 0.012 0.000 0.937 202 S CB -1.040 62.167 63.200 0.012 0.000 0.788 202 S HN 0.463 nan 8.310 nan 0.000 0.511 203 L N 1.470 122.702 121.223 0.015 0.000 4.179 203 L HA -0.176 4.164 4.340 -0.000 0.000 0.418 203 L C 0.505 177.389 176.870 0.024 0.000 1.168 203 L CA 0.535 55.391 54.840 0.026 0.000 0.972 203 L CB -2.929 39.144 42.059 0.023 0.000 2.005 203 L HN 0.694 nan 8.230 nan 0.000 0.935 204 T N -3.743 110.819 114.554 0.014 0.000 2.902 204 T HA 0.454 4.804 4.350 -0.000 0.000 0.280 204 T C 0.265 174.964 174.700 -0.002 0.000 0.992 204 T CA -0.523 61.580 62.100 0.005 0.000 1.015 204 T CB 2.186 71.056 68.868 0.004 0.000 1.044 204 T HN 0.243 nan 8.240 nan 0.000 0.520 205 C N 2.529 121.822 119.300 -0.011 0.000 2.373 205 C HA 0.490 4.950 4.460 -0.000 0.000 0.354 205 C C 0.952 175.931 174.990 -0.018 0.000 1.249 205 C CA -0.642 58.363 59.018 -0.022 0.000 1.784 205 C CB -1.506 26.216 27.740 -0.030 0.000 2.408 205 C HN 0.943 nan 8.230 nan 0.000 0.542 206 R N 5.406 125.895 120.500 -0.019 0.000 2.903 206 R HA 0.349 4.689 4.340 -0.000 0.000 0.363 206 R C -0.436 175.852 176.300 -0.020 0.000 1.161 206 R CA -0.278 55.813 56.100 -0.015 0.000 1.109 206 R CB 0.228 30.522 30.300 -0.009 0.000 1.399 206 R HN 0.643 nan 8.270 nan 0.000 0.587 207 L N 0.103 121.310 121.223 -0.026 0.000 2.440 207 L HA 0.446 4.786 4.340 -0.000 0.000 0.262 207 L C -1.323 175.532 176.870 -0.024 0.000 1.072 207 L CA -2.221 52.601 54.840 -0.030 0.000 0.798 207 L CB 0.512 42.545 42.059 -0.043 0.000 1.307 207 L HN -0.055 nan 8.230 nan 0.000 0.475 208 P HA -0.192 nan 4.420 nan 0.000 0.216 208 P C -0.441 176.847 177.300 -0.019 0.000 1.057 208 P CA 0.696 63.784 63.100 -0.020 0.000 0.932 208 P CB -0.019 31.668 31.700 -0.021 0.000 0.567 209 N N -0.455 118.233 118.700 -0.020 0.000 2.452 209 N HA 0.153 4.892 4.740 -0.000 0.000 0.266 209 N C -0.867 174.629 175.510 -0.022 0.000 1.209 209 N CA 0.016 53.054 53.050 -0.019 0.000 0.929 209 N CB -0.154 38.322 38.487 -0.019 0.000 1.063 209 N HN -0.057 nan 8.380 nan 0.000 0.472 210 V N 1.364 121.266 119.914 -0.019 0.000 2.361 210 V HA 0.295 4.415 4.120 -0.000 0.000 0.252 210 V C 1.169 177.252 176.094 -0.017 0.000 0.986 210 V CA -0.704 61.584 62.300 -0.021 0.000 1.033 210 V CB -0.161 31.650 31.823 -0.020 0.000 1.282 210 V HN 0.572 nan 8.190 nan 0.000 0.514 211 T N 0.909 115.453 114.554 -0.017 0.000 2.452 211 T HA -0.210 4.140 4.350 -0.000 0.000 0.251 211 T C 0.992 175.684 174.700 -0.014 0.000 1.232 211 T CA 2.140 64.232 62.100 -0.014 0.000 1.226 211 T CB 0.032 68.892 68.868 -0.014 0.000 0.864 211 T HN 0.734 nan 8.240 nan 0.000 0.399 212 K N 0.724 121.114 120.400 -0.018 0.000 2.155 212 K HA 0.203 4.522 4.320 -0.000 0.000 0.237 212 K C -0.290 176.297 176.600 -0.022 0.000 1.040 212 K CA -0.415 55.860 56.287 -0.020 0.000 0.912 212 K CB 0.468 32.953 32.500 -0.025 0.000 1.137 212 K HN 0.127 nan 8.250 nan 0.000 0.498 213 Q N 1.193 120.978 119.800 -0.025 0.000 2.389 213 Q HA 0.398 4.737 4.340 -0.000 0.000 0.277 213 Q C -2.410 173.564 176.000 -0.043 0.000 1.082 213 Q CA -1.922 53.864 55.803 -0.027 0.000 0.810 213 Q CB 1.865 30.592 28.738 -0.019 0.000 1.374 213 Q HN 0.610 nan 8.270 nan 0.000 0.422 214 P HA 0.167 nan 4.420 nan 0.000 0.274 214 P C -0.376 176.854 177.300 -0.116 0.000 1.246 214 P CA -0.383 62.679 63.100 -0.064 0.000 0.795 214 P CB 0.770 32.455 31.700 -0.026 0.000 1.006 215 V N 2.985 122.775 119.914 -0.208 0.000 2.427 215 V HA 0.143 4.262 4.120 -0.000 0.000 0.268 215 V C 1.215 177.146 176.094 -0.272 0.000 1.046 215 V CA -0.216 61.858 62.300 -0.377 0.000 0.970 215 V CB -0.487 30.865 31.823 -0.786 0.000 1.001 215 V HN 0.429 nan 8.190 nan 0.000 0.476 216 R N 3.802 124.197 120.500 -0.176 0.000 2.291 216 R HA 0.348 4.688 4.340 -0.000 0.000 0.333 216 R C -0.748 175.538 176.300 -0.024 0.000 1.082 216 R CA -0.260 55.801 56.100 -0.066 0.000 0.948 216 R CB 0.730 31.025 30.300 -0.010 0.000 1.009 216 R HN 0.530 nan 8.270 nan 0.000 0.460 217 V N 6.096 126.007 119.914 -0.006 0.000 2.350 217 V HA 0.264 4.384 4.120 -0.000 0.000 0.276 217 V C 0.066 176.213 176.094 0.089 0.000 1.028 217 V CA -0.551 61.800 62.300 0.084 0.000 0.860 217 V CB 1.199 33.039 31.823 0.030 0.000 0.990 217 V HN 0.547 nan 8.190 nan 0.000 0.453 218 I N 6.233 126.898 120.570 0.159 0.000 2.404 218 I HA 0.430 4.599 4.170 -0.000 0.000 0.293 218 I C -0.100 176.111 176.117 0.156 0.000 0.992 218 I CA -0.874 60.495 61.300 0.115 0.000 1.149 218 I CB 1.768 39.830 38.000 0.104 0.000 1.315 218 I HN 0.379 nan 8.210 nan 0.000 0.446 219 L N 5.347 126.627 121.223 0.095 0.000 2.270 219 L HA 0.320 4.660 4.340 -0.000 0.000 0.286 219 L C -0.184 176.742 176.870 0.094 0.000 1.059 219 L CA -0.184 54.721 54.840 0.110 0.000 0.839 219 L CB 0.414 42.501 42.059 0.046 0.000 1.221 219 L HN 0.477 nan 8.230 nan 0.000 0.431 220 D N 2.015 122.489 120.400 0.124 0.000 2.458 220 D HA 0.146 4.786 4.640 -0.000 0.000 0.258 220 D C 1.119 177.467 176.300 0.080 0.000 1.134 220 D CA -0.346 53.704 54.000 0.084 0.000 0.915 220 D CB 1.174 42.021 40.800 0.079 0.000 1.028 220 D HN 0.398 nan 8.370 nan 0.000 0.508 221 T N 1.409 116.000 114.554 0.063 0.000 2.564 221 T HA -0.194 4.156 4.350 -0.000 0.000 0.264 221 T C 1.384 176.110 174.700 0.044 0.000 1.100 221 T CA 1.345 63.477 62.100 0.054 0.000 1.171 221 T CB -0.020 68.869 68.868 0.034 0.000 0.863 221 T HN 0.296 nan 8.240 nan 0.000 0.430 222 V N 1.834 121.767 119.914 0.031 0.000 2.933 222 V HA 0.417 4.537 4.120 -0.000 0.000 0.374 222 V C 0.477 176.582 176.094 0.018 0.000 1.321 222 V CA -0.169 62.144 62.300 0.022 0.000 1.290 222 V CB -1.215 30.616 31.823 0.013 0.000 1.346 222 V HN 0.558 nan 8.190 nan 0.000 0.560 223 L N 1.560 122.799 121.223 0.027 0.000 3.829 223 L HA -0.226 4.114 4.340 -0.000 0.000 0.440 223 L C 1.558 178.433 176.870 0.008 0.000 1.192 223 L CA 0.912 55.765 54.840 0.020 0.000 0.848 223 L CB -1.210 40.857 42.059 0.013 0.000 1.744 223 L HN 0.770 nan 8.230 nan 0.000 0.920 224 S N -1.782 113.923 115.700 0.008 0.000 2.593 224 S HA 0.155 4.625 4.470 -0.000 0.000 0.217 224 S C 0.834 175.430 174.600 -0.006 0.000 0.966 224 S CA -0.344 57.855 58.200 -0.001 0.000 0.914 224 S CB 0.213 63.412 63.200 -0.001 0.000 0.776 224 S HN 0.491 nan 8.310 nan 0.000 0.523 225 I N 2.564 123.133 120.570 -0.001 0.000 3.003 225 I HA 0.132 4.302 4.170 -0.000 0.000 0.294 225 I C -2.627 173.474 176.117 -0.026 0.000 1.237 225 I CA -1.869 59.426 61.300 -0.008 0.000 1.417 225 I CB 0.907 38.908 38.000 0.003 0.000 1.340 225 I HN 0.053 nan 8.210 nan 0.000 0.594 226 P HA 0.186 nan 4.420 nan 0.000 0.293 226 P C -0.508 176.745 177.300 -0.078 0.000 1.313 226 P CA -0.287 62.784 63.100 -0.047 0.000 0.787 226 P CB 0.815 32.492 31.700 -0.038 0.000 0.910 227 E N 2.030 122.166 120.200 -0.107 0.000 2.396 227 E HA -0.202 4.148 4.350 -0.000 0.000 0.200 227 E C 0.892 177.359 176.600 -0.221 0.000 1.023 227 E CA 0.984 57.268 56.400 -0.194 0.000 0.857 227 E CB -0.094 29.485 29.700 -0.202 0.000 0.775 227 E HN 0.610 nan 8.360 nan 0.000 0.525 228 D N 0.409 120.735 120.400 -0.123 0.000 2.349 228 D HA 0.050 4.689 4.640 -0.000 0.000 0.214 228 D C 0.489 176.758 176.300 -0.052 0.000 1.063 228 D CA -0.102 53.847 54.000 -0.085 0.000 0.847 228 D CB 0.072 40.845 40.800 -0.046 0.000 0.933 228 D HN -0.026 nan 8.370 nan 0.000 0.513 229 A N 1.338 124.125 122.820 -0.055 0.000 2.498 229 A HA 0.054 4.374 4.320 -0.000 0.000 0.239 229 A C 1.292 178.871 177.584 -0.008 0.000 1.068 229 A CA -0.205 51.815 52.037 -0.027 0.000 0.766 229 A CB 0.360 19.346 19.000 -0.025 0.000 1.003 229 A HN 0.100 nan 8.150 nan 0.000 0.497 230 K N 1.698 122.102 120.400 0.007 0.000 2.074 230 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 230 K C 1.549 178.172 176.600 0.038 0.000 1.048 230 K CA 1.498 57.801 56.287 0.026 0.000 0.926 230 K CB -0.351 32.161 32.500 0.020 0.000 0.713 230 K HN 0.469 nan 8.250 nan 0.000 0.444 231 V N 1.183 121.114 119.914 0.029 0.000 2.982 231 V HA -0.179 3.941 4.120 -0.000 0.000 0.265 231 V C 1.546 177.677 176.094 0.061 0.000 1.122 231 V CA 1.497 63.822 62.300 0.042 0.000 1.143 231 V CB -0.263 31.580 31.823 0.033 0.000 0.726 231 V HN 0.295 nan 8.190 nan 0.000 0.507 232 I N -2.531 118.066 120.570 0.045 0.000 4.323 232 I HA 0.038 4.208 4.170 -0.000 0.000 0.328 232 I C 1.486 177.690 176.117 0.145 0.000 1.310 232 I CA 0.301 61.627 61.300 0.044 0.000 1.186 232 I CB 0.627 38.572 38.000 -0.092 0.000 1.130 232 I HN 0.305 nan 8.210 nan 0.000 0.411 233 C N 0.207 119.596 119.300 0.148 0.000 3.545 233 C HA 0.100 4.560 4.460 -0.000 0.000 0.368 233 C C 2.024 177.122 174.990 0.180 0.000 1.400 233 C CA -0.010 59.170 59.018 0.271 0.000 1.848 233 C CB -0.400 27.474 27.740 0.225 0.000 2.576 233 C HN 0.558 nan 8.230 nan 0.000 0.683 234 D N 0.557 121.025 120.400 0.113 0.000 2.312 234 D HA -0.120 4.520 4.640 -0.000 0.000 0.211 234 D C 1.250 177.591 176.300 0.068 0.000 0.964 234 D CA 0.905 54.951 54.000 0.077 0.000 0.877 234 D CB -0.427 40.404 40.800 0.052 0.000 0.924 234 D HN 0.263 nan 8.370 nan 0.000 0.515 235 Q N -1.107 118.744 119.800 0.085 0.000 2.332 235 Q HA -0.230 4.110 4.340 -0.000 0.000 0.222 235 Q C 1.507 177.535 176.000 0.047 0.000 0.758 235 Q CA 1.017 56.860 55.803 0.067 0.000 1.355 235 Q CB -2.183 26.582 28.738 0.045 0.000 1.705 235 Q HN 0.539 nan 8.270 nan 0.000 0.638 236 I N -0.811 119.784 120.570 0.041 0.000 2.394 236 I HA -0.091 4.078 4.170 -0.000 0.000 0.251 236 I C 1.212 177.342 176.117 0.022 0.000 1.136 236 I CA 1.325 62.641 61.300 0.027 0.000 1.425 236 I CB 0.007 38.020 38.000 0.022 0.000 1.079 236 I HN 0.274 nan 8.210 nan 0.000 0.425 237 A N -0.338 122.499 122.820 0.029 0.000 2.593 237 A HA 0.698 5.017 4.320 -0.000 0.000 0.290 237 A C -2.648 174.955 177.584 0.032 0.000 1.126 237 A CA -1.182 50.865 52.037 0.016 0.000 0.695 237 A CB 0.625 19.624 19.000 -0.003 0.000 1.290 237 A HN -0.194 nan 8.150 nan 0.000 0.414 238 P HA 0.489 nan 4.420 nan 0.000 0.274 238 P C -0.701 176.625 177.300 0.043 0.000 1.246 238 P CA 0.158 63.290 63.100 0.053 0.000 0.795 238 P CB 0.826 32.530 31.700 0.006 0.000 1.006 239 T N 1.114 115.781 114.554 0.188 0.000 3.011 239 T HA 0.386 4.736 4.350 -0.000 0.000 0.303 239 T C -1.557 173.454 174.700 0.519 0.000 0.997 239 T CA -0.255 61.978 62.100 0.221 0.000 1.007 239 T CB 0.420 69.395 68.868 0.179 0.000 1.017 239 T HN 0.221 nan 8.240 nan 0.000 0.443 240 W N 3.783 125.193 121.300 0.183 0.000 2.600 240 W HA 0.622 5.282 4.660 0.000 0.000 0.325 240 W C -0.688 175.993 176.519 0.269 0.000 1.034 240 W CA -1.591 55.914 57.345 0.266 0.000 1.226 240 W CB 0.641 30.299 29.460 0.331 0.000 1.379 240 W HN 0.382 nan 8.180 nan 0.000 0.466 241 I N 2.966 123.795 120.570 0.431 0.000 2.577 241 I HA 0.440 4.610 4.170 -0.000 0.000 0.305 241 I C -0.766 175.541 176.117 0.317 0.000 0.986 241 I CA -1.193 60.306 61.300 0.333 0.000 1.189 241 I CB 0.988 39.104 38.000 0.192 0.000 1.355 241 I HN 0.115 nan 8.210 nan 0.000 0.476 242 F N 2.207 122.254 119.950 0.161 0.000 2.500 242 F HA 0.406 4.933 4.527 -0.000 0.000 0.349 242 F C 0.507 176.367 175.800 0.100 0.000 1.127 242 F CA -0.281 57.803 58.000 0.141 0.000 0.998 242 F CB 1.792 40.834 39.000 0.069 0.000 1.237 242 F HN 0.386 nan 8.300 nan 0.000 0.439 243 T N 1.374 116.023 114.554 0.159 0.000 2.883 243 T HA 0.718 5.068 4.350 -0.000 0.000 0.284 243 T C -0.035 174.717 174.700 0.086 0.000 1.041 243 T CA -0.296 61.870 62.100 0.110 0.000 1.007 243 T CB 1.317 70.224 68.868 0.064 0.000 1.220 243 T HN 0.576 nan 8.240 nan 0.000 0.552 244 T N -0.489 114.102 114.554 0.061 0.000 2.889 244 T HA 0.666 5.015 4.350 -0.000 0.000 0.278 244 T C 1.501 176.216 174.700 0.025 0.000 0.995 244 T CA -0.166 61.961 62.100 0.046 0.000 0.966 244 T CB 0.536 69.428 68.868 0.041 0.000 1.237 244 T HN 0.636 nan 8.240 nan 0.000 0.591 245 A N -0.341 122.490 122.820 0.018 0.000 2.225 245 A HA 0.022 4.341 4.320 -0.000 0.000 0.215 245 A C 2.191 179.779 177.584 0.006 0.000 1.164 245 A CA 0.695 52.736 52.037 0.008 0.000 0.710 245 A CB -0.818 18.185 19.000 0.006 0.000 0.780 245 A HN 0.779 nan 8.150 nan 0.000 0.473 246 R N -0.285 120.221 120.500 0.011 0.000 2.299 246 R HA 0.249 4.589 4.340 -0.000 0.000 0.197 246 R C 1.010 177.314 176.300 0.007 0.000 0.971 246 R CA 0.315 56.420 56.100 0.008 0.000 1.030 246 R CB -0.212 30.094 30.300 0.010 0.000 0.932 246 R HN 0.480 nan 8.270 nan 0.000 0.477 247 A N 1.098 123.922 122.820 0.008 0.000 2.386 247 A HA -0.005 4.315 4.320 -0.000 0.000 0.246 247 A C -0.213 177.370 177.584 -0.001 0.000 1.089 247 A CA -0.202 51.839 52.037 0.006 0.000 0.790 247 A CB 0.256 19.261 19.000 0.007 0.000 1.042 247 A HN 0.095 nan 8.150 nan 0.000 0.497 248 D N 0.067 120.466 120.400 -0.002 0.000 2.280 248 D HA 0.127 4.767 4.640 -0.000 0.000 0.243 248 D C 0.609 176.905 176.300 -0.008 0.000 1.129 248 D CA -0.278 53.719 54.000 -0.005 0.000 0.848 248 D CB 0.795 41.592 40.800 -0.005 0.000 1.107 248 D HN 0.498 nan 8.370 nan 0.000 0.471 249 E N 2.535 122.729 120.200 -0.010 0.000 2.153 249 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 249 E C 1.073 177.667 176.600 -0.010 0.000 0.988 249 E CA 0.909 57.301 56.400 -0.013 0.000 0.811 249 E CB 0.359 30.050 29.700 -0.014 0.000 0.746 249 E HN 0.588 nan 8.360 nan 0.000 0.466 250 E N 0.526 120.722 120.200 -0.006 0.000 2.358 250 E HA -0.069 4.280 4.350 -0.000 0.000 0.195 250 E C 1.811 178.412 176.600 0.000 0.000 1.010 250 E CA 0.387 56.786 56.400 -0.002 0.000 0.856 250 E CB 0.109 29.808 29.700 -0.001 0.000 0.795 250 E HN 0.219 nan 8.360 nan 0.000 0.504 251 K N 1.214 121.612 120.400 -0.004 0.000 2.128 251 K HA -0.005 4.315 4.320 -0.000 0.000 0.202 251 K C 1.832 178.430 176.600 -0.003 0.000 1.050 251 K CA 0.431 56.714 56.287 -0.006 0.000 0.966 251 K CB 0.255 32.748 32.500 -0.012 0.000 0.759 251 K HN -0.102 nan 8.250 nan 0.000 0.454 252 K N 0.947 121.344 120.400 -0.006 0.000 2.113 252 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 252 K C 2.011 178.612 176.600 0.002 0.000 1.047 252 K CA 1.477 57.760 56.287 -0.008 0.000 0.928 252 K CB -0.030 32.456 32.500 -0.024 0.000 0.716 252 K HN 0.116 nan 8.250 nan 0.000 0.446 253 K N 0.867 121.269 120.400 0.003 0.000 1.965 253 K HA -0.124 4.195 4.320 -0.000 0.000 0.218 253 K C 2.211 178.837 176.600 0.044 0.000 1.048 253 K CA 1.279 57.575 56.287 0.015 0.000 0.960 253 K CB -0.241 32.265 32.500 0.010 0.000 0.732 253 K HN 0.077 nan 8.250 nan 0.000 0.444 254 R N 0.835 121.363 120.500 0.047 0.000 2.153 254 R HA -0.184 4.156 4.340 -0.000 0.000 0.252 254 R C 2.353 178.732 176.300 0.132 0.000 1.158 254 R CA 1.459 57.609 56.100 0.084 0.000 0.975 254 R CB -0.444 29.880 30.300 0.041 0.000 0.871 254 R HN 0.243 nan 8.270 nan 0.000 0.450 255 L N -0.863 120.400 121.223 0.067 0.000 2.131 255 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 255 L C 2.396 179.355 176.870 0.149 0.000 1.087 255 L CA 0.819 55.704 54.840 0.076 0.000 0.767 255 L CB -0.261 41.808 42.059 0.017 0.000 0.917 255 L HN 0.092 nan 8.230 nan 0.000 0.441 256 S N -0.072 115.683 115.700 0.091 0.000 2.399 256 S HA -0.121 4.349 4.470 -0.000 0.000 0.231 256 S C 2.104 176.761 174.600 0.095 0.000 1.022 256 S CA 1.092 59.334 58.200 0.069 0.000 0.983 256 S CB -0.122 63.085 63.200 0.012 0.000 0.803 256 S HN 0.468 nan 8.310 nan 0.000 0.480 257 A N -0.210 122.683 122.820 0.123 0.000 2.070 257 A HA 0.017 4.336 4.320 -0.000 0.000 0.220 257 A C 1.591 179.221 177.584 0.077 0.000 1.159 257 A CA 1.020 53.111 52.037 0.091 0.000 0.656 257 A CB -0.587 18.477 19.000 0.106 0.000 0.800 257 A HN 0.513 nan 8.150 nan 0.000 0.453 258 F N -1.026 118.936 119.950 0.019 0.000 2.789 258 F HA 0.302 4.829 4.527 -0.000 0.000 0.300 258 F C 1.925 177.748 175.800 0.040 0.000 1.132 258 F CA 0.854 58.871 58.000 0.028 0.000 1.404 258 F CB 0.374 39.392 39.000 0.031 0.000 1.114 258 F HN 0.382 nan 8.300 nan 0.000 0.584 259 G N 0.059 108.957 108.800 0.164 0.000 2.184 259 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.206 259 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.206 259 G C 0.197 175.199 174.900 0.170 0.000 0.995 259 G CA 0.053 45.231 45.100 0.130 0.000 0.651 259 G HN 0.426 nan 8.290 nan 0.000 0.511 260 V N 0.065 120.093 119.914 0.190 0.000 2.834 260 V HA 0.725 4.845 4.120 -0.000 0.000 0.301 260 V C -0.222 175.955 176.094 0.138 0.000 1.066 260 V CA -0.780 61.645 62.300 0.208 0.000 1.052 260 V CB 1.501 33.435 31.823 0.185 0.000 1.021 260 V HN 0.226 nan 8.190 nan 0.000 0.480 261 N N 4.895 123.688 118.700 0.156 0.000 2.446 261 N HA 0.482 5.222 4.740 -0.000 0.000 0.265 261 N C -0.960 174.524 175.510 -0.044 0.000 0.975 261 N CA -0.177 52.824 53.050 -0.081 0.000 0.928 261 N CB 1.792 40.064 38.487 -0.359 0.000 1.160 261 N HN 0.697 nan 8.380 nan 0.000 0.495 262 I N 3.200 123.681 120.570 -0.148 0.000 2.306 262 I HA 0.277 4.447 4.170 -0.000 0.000 0.288 262 I C -0.372 175.587 176.117 -0.263 0.000 1.036 262 I CA -0.590 60.654 61.300 -0.093 0.000 1.221 262 I CB 0.159 38.128 38.000 -0.052 0.000 1.385 262 I HN 0.202 nan 8.210 nan 0.000 0.472 263 F N 3.896 123.565 119.950 -0.468 0.000 2.438 263 F HA 0.251 4.778 4.527 -0.000 0.000 0.356 263 F C 0.896 176.481 175.800 -0.359 0.000 1.099 263 F CA -0.286 57.366 58.000 -0.580 0.000 1.185 263 F CB 0.879 39.121 39.000 -1.262 0.000 1.115 263 F HN 0.288 nan 8.300 nan 0.000 0.526 264 T N 5.606 120.108 114.554 -0.087 0.000 2.801 264 T HA 0.490 4.840 4.350 -0.000 0.000 0.306 264 T C 0.172 174.885 174.700 0.022 0.000 1.020 264 T CA -0.597 61.489 62.100 -0.024 0.000 0.948 264 T CB 0.216 69.058 68.868 -0.044 0.000 0.962 264 T HN 0.282 nan 8.240 nan 0.000 0.465 265 L N 2.382 123.648 121.223 0.072 0.000 2.466 265 L HA 0.307 4.647 4.340 -0.000 0.000 0.257 265 L C 1.618 178.522 176.870 0.056 0.000 1.189 265 L CA -0.552 54.344 54.840 0.093 0.000 0.813 265 L CB 0.645 42.787 42.059 0.139 0.000 1.118 265 L HN 0.533 nan 8.230 nan 0.000 0.471 266 E N -0.084 120.147 120.200 0.051 0.000 2.340 266 E HA 0.021 4.371 4.350 -0.000 0.000 0.194 266 E C 0.601 177.218 176.600 0.029 0.000 0.996 266 E CA 0.325 56.744 56.400 0.033 0.000 0.869 266 E CB 0.077 29.794 29.700 0.028 0.000 0.835 266 E HN 0.799 nan 8.360 nan 0.000 0.493 267 T N -0.606 113.969 114.554 0.035 0.000 2.802 267 T HA 0.068 4.418 4.350 -0.000 0.000 0.305 267 T C 1.185 175.899 174.700 0.024 0.000 1.053 267 T CA -0.316 61.800 62.100 0.026 0.000 1.058 267 T CB 1.762 70.646 68.868 0.026 0.000 0.988 267 T HN 0.002 nan 8.240 nan 0.000 0.539 268 E N 0.420 120.630 120.200 0.017 0.000 2.046 268 E HA -0.109 4.240 4.350 -0.000 0.000 0.190 268 E C 0.906 177.517 176.600 0.018 0.000 0.982 268 E CA 0.579 56.987 56.400 0.015 0.000 0.800 268 E CB 0.222 29.928 29.700 0.009 0.000 0.756 268 E HN 0.392 nan 8.360 nan 0.000 0.449 269 R N -0.105 120.404 120.500 0.014 0.000 2.603 269 R HA 0.376 4.716 4.340 -0.000 0.000 0.225 269 R C -0.224 176.089 176.300 0.022 0.000 1.300 269 R CA -0.715 55.393 56.100 0.014 0.000 1.075 269 R CB 0.089 30.390 30.300 0.002 0.000 1.663 269 R HN 0.026 nan 8.270 nan 0.000 0.546 270 I N 2.092 122.672 120.570 0.015 0.000 2.355 270 I HA 0.154 4.324 4.170 -0.000 0.000 0.288 270 I C -0.258 175.845 176.117 -0.023 0.000 0.999 270 I CA -0.382 60.930 61.300 0.020 0.000 1.163 270 I CB 1.382 39.402 38.000 0.034 0.000 1.316 270 I HN 0.022 nan 8.210 nan 0.000 0.454 271 Q N 5.516 125.300 119.800 -0.026 0.000 2.267 271 Q HA 0.307 4.647 4.340 -0.000 0.000 0.255 271 Q C 0.997 176.920 176.000 -0.129 0.000 0.923 271 Q CA -0.530 55.232 55.803 -0.067 0.000 0.925 271 Q CB 1.774 30.488 28.738 -0.041 0.000 1.195 271 Q HN 0.519 nan 8.270 nan 0.000 0.417 272 I N 4.298 124.735 120.570 -0.222 0.000 2.226 272 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 272 I C -0.833 175.120 176.117 -0.273 0.000 1.100 272 I CA 0.988 62.056 61.300 -0.387 0.000 1.374 272 I CB -1.338 36.224 38.000 -0.729 0.000 1.057 272 I HN 0.568 nan 8.210 nan 0.000 0.413 273 P HA -0.139 nan 4.420 nan 0.000 0.218 273 P C 1.191 178.458 177.300 -0.055 0.000 1.148 273 P CA 1.375 64.419 63.100 -0.094 0.000 0.822 273 P CB 0.019 31.683 31.700 -0.060 0.000 0.784 274 D N -0.866 119.505 120.400 -0.048 0.000 2.084 274 D HA -0.122 4.518 4.640 -0.000 0.000 0.196 274 D C 2.005 178.320 176.300 0.025 0.000 0.985 274 D CA 1.571 55.576 54.000 0.009 0.000 0.826 274 D CB -0.757 40.063 40.800 0.033 0.000 0.978 274 D HN 0.074 nan 8.370 nan 0.000 0.456 275 V N -0.652 119.217 119.914 -0.076 0.000 2.453 275 V HA -0.105 4.015 4.120 -0.000 0.000 0.247 275 V C 2.495 178.485 176.094 -0.173 0.000 1.048 275 V CA 0.937 63.090 62.300 -0.245 0.000 1.049 275 V CB -0.849 30.526 31.823 -0.747 0.000 0.672 275 V HN 0.113 nan 8.190 nan 0.000 0.457 276 L N -0.268 120.888 121.223 -0.112 0.000 2.042 276 L HA -0.144 4.195 4.340 -0.000 0.000 0.210 276 L C 2.967 179.881 176.870 0.073 0.000 1.076 276 L CA 2.201 57.038 54.840 -0.005 0.000 0.749 276 L CB -0.587 41.474 42.059 0.004 0.000 0.893 276 L HN 0.348 nan 8.230 nan 0.000 0.432 277 K N 0.662 121.100 120.400 0.063 0.000 2.097 277 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 277 K C 1.971 178.655 176.600 0.139 0.000 1.050 277 K CA 1.363 57.705 56.287 0.093 0.000 0.938 277 K CB -0.134 32.404 32.500 0.063 0.000 0.718 277 K HN 0.313 nan 8.250 nan 0.000 0.442 278 I N 0.990 121.653 120.570 0.157 0.000 2.315 278 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 278 I C 2.246 178.508 176.117 0.242 0.000 1.117 278 I CA 0.730 62.163 61.300 0.221 0.000 1.404 278 I CB -0.180 38.008 38.000 0.313 0.000 1.071 278 I HN 0.066 nan 8.210 nan 0.000 0.419 279 L N 0.575 121.923 121.223 0.208 0.000 2.127 279 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 279 L C 2.786 179.827 176.870 0.284 0.000 1.089 279 L CA 1.308 56.302 54.840 0.258 0.000 0.757 279 L CB -0.626 41.526 42.059 0.154 0.000 0.899 279 L HN 0.260 nan 8.230 nan 0.000 0.434 280 A N -0.137 122.861 122.820 0.296 0.000 1.897 280 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 280 A C 2.082 179.892 177.584 0.376 0.000 1.181 280 A CA 1.185 53.486 52.037 0.440 0.000 0.620 280 A CB -0.340 18.926 19.000 0.443 0.000 0.821 280 A HN 0.436 nan 8.150 nan 0.000 0.443 281 E N -0.583 119.774 120.200 0.262 0.000 2.409 281 E HA -0.145 4.205 4.350 -0.000 0.000 0.198 281 E C 1.229 177.968 176.600 0.231 0.000 1.024 281 E CA 0.896 57.425 56.400 0.214 0.000 0.861 281 E CB 0.020 29.819 29.700 0.165 0.000 0.788 281 E HN 0.584 nan 8.360 nan 0.000 0.521 282 E N -0.683 119.684 120.200 0.278 0.000 2.474 282 E HA 0.070 4.420 4.350 -0.000 0.000 0.195 282 E C 0.907 177.682 176.600 0.292 0.000 1.039 282 E CA 0.496 57.082 56.400 0.310 0.000 0.881 282 E CB 0.596 30.560 29.700 0.441 0.000 0.970 282 E HN 0.289 nan 8.360 nan 0.000 0.486 283 G N 0.330 109.280 108.800 0.250 0.000 2.176 283 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.253 283 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.253 283 G C 0.074 174.978 174.900 0.007 0.000 0.979 283 G CA 0.074 45.267 45.100 0.156 0.000 0.641 283 G HN 0.178 nan 8.290 nan 0.000 0.530 284 I N 1.447 122.048 120.570 0.051 0.000 2.337 284 I HA 0.365 4.535 4.170 -0.000 0.000 0.291 284 I C 1.575 177.569 176.117 -0.206 0.000 1.046 284 I CA -0.030 61.246 61.300 -0.040 0.000 1.324 284 I CB 0.792 38.825 38.000 0.056 0.000 1.409 284 I HN 0.154 nan 8.210 nan 0.000 0.494 285 M N 3.634 123.000 119.600 -0.390 0.000 2.491 285 M HA 0.060 4.539 4.480 -0.000 0.000 0.259 285 M C 0.496 176.753 176.300 -0.072 0.000 1.163 285 M CA 0.315 55.250 55.300 -0.609 0.000 1.109 285 M CB 0.201 32.247 32.600 -0.923 0.000 1.353 285 M HN 0.604 nan 8.290 nan 0.000 0.500 286 S N 0.360 116.061 115.700 0.001 0.000 2.513 286 S HA 0.759 5.229 4.470 -0.000 0.000 0.299 286 S C -0.598 174.139 174.600 0.228 0.000 1.087 286 S CA -0.785 57.508 58.200 0.155 0.000 1.012 286 S CB 2.531 65.743 63.200 0.019 0.000 1.044 286 S HN -0.010 nan 8.310 nan 0.000 0.485 287 V N 3.139 123.251 119.914 0.330 0.000 2.569 287 V HA 0.382 4.501 4.120 -0.000 0.000 0.301 287 V C -1.619 174.596 176.094 0.202 0.000 1.044 287 V CA -0.736 61.703 62.300 0.232 0.000 0.874 287 V CB 1.438 33.337 31.823 0.127 0.000 1.002 287 V HN 0.957 nan 8.190 nan 0.000 0.424 288 Y N 5.409 125.655 120.300 -0.091 0.000 2.504 288 Y HA 0.585 5.135 4.550 -0.000 0.000 0.339 288 Y C -0.142 175.606 175.900 -0.253 0.000 0.974 288 Y CA -0.775 57.111 58.100 -0.356 0.000 1.232 288 Y CB 1.207 39.363 38.460 -0.507 0.000 1.108 288 Y HN 0.443 nan 8.280 nan 0.000 0.509 289 V N 7.505 127.111 119.914 -0.512 0.000 2.372 289 V HA 0.138 4.258 4.120 -0.000 0.000 0.261 289 V C 0.611 176.368 176.094 -0.561 0.000 1.055 289 V CA -0.209 61.753 62.300 -0.563 0.000 0.930 289 V CB 0.621 31.953 31.823 -0.817 0.000 1.031 289 V HN 0.879 nan 8.190 nan 0.000 0.479 290 E N 4.052 123.931 120.200 -0.535 0.000 3.227 290 E HA 0.364 4.713 4.350 -0.000 0.000 0.455 290 E C 1.278 177.691 176.600 -0.311 0.000 0.292 290 E CA 0.245 56.390 56.400 -0.425 0.000 2.635 290 E CB 0.084 29.586 29.700 -0.331 0.000 2.232 290 E HN 0.739 nan 8.360 nan 0.000 0.443 291 G N -1.446 107.219 108.800 -0.225 0.000 2.720 291 G HA2 0.333 4.293 3.960 -0.000 0.000 0.237 291 G HA3 0.333 4.293 3.960 -0.000 0.000 0.237 291 G C 0.126 174.795 174.900 -0.385 0.000 1.239 291 G CA 0.233 45.202 45.100 -0.219 0.000 0.847 291 G HN 0.719 nan 8.290 nan 0.000 0.593 292 G N -0.652 107.982 108.800 -0.278 0.000 2.499 292 G HA2 0.228 4.187 3.960 -0.000 0.000 0.474 292 G HA3 0.228 4.187 3.960 -0.000 0.000 0.474 292 G C 0.829 175.630 174.900 -0.165 0.000 1.044 292 G CA 0.579 45.536 45.100 -0.240 0.000 1.316 292 G HN 1.698 nan 8.290 nan 0.000 0.617 293 S N -0.092 115.591 115.700 -0.029 0.000 2.374 293 S HA -0.031 4.439 4.470 -0.000 0.000 0.227 293 S C 2.670 177.287 174.600 0.029 0.000 1.037 293 S CA 2.030 60.256 58.200 0.043 0.000 1.024 293 S CB -0.156 63.050 63.200 0.009 0.000 0.861 293 S HN 2.012 nan 8.310 nan 0.000 0.456 294 A N 1.627 124.441 122.820 -0.009 0.000 1.854 294 A HA 0.134 4.454 4.320 -0.000 0.000 0.214 294 A C 2.474 180.063 177.584 0.008 0.000 1.192 294 A CA 1.426 53.460 52.037 -0.005 0.000 0.611 294 A CB -1.224 17.767 19.000 -0.016 0.000 0.832 294 A HN 0.434 nan 8.150 nan 0.000 0.442 295 V N 0.272 120.169 119.914 -0.028 0.000 2.252 295 V HA -0.337 3.783 4.120 -0.000 0.000 0.249 295 V C 2.522 178.686 176.094 0.117 0.000 1.056 295 V CA 2.398 64.704 62.300 0.010 0.000 1.022 295 V CB -1.170 30.593 31.823 -0.100 0.000 0.641 295 V HN 0.649 nan 8.190 nan 0.000 0.445 296 H N 0.377 119.468 119.070 0.036 0.000 2.353 296 H HA -0.146 4.410 4.556 -0.000 0.000 0.298 296 H C 2.428 177.780 175.328 0.040 0.000 1.103 296 H CA 1.792 57.840 56.048 -0.001 0.000 1.293 296 H CB -0.977 28.749 29.762 -0.059 0.000 1.372 296 H HN 0.493 nan 8.280 nan 0.000 0.501 297 G N 0.327 109.212 108.800 0.142 0.000 2.476 297 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 297 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 297 G C 1.988 176.916 174.900 0.048 0.000 1.164 297 G CA 1.589 46.721 45.100 0.053 0.000 0.768 297 G HN 0.431 nan 8.290 nan 0.000 0.560 298 S N 0.886 116.623 115.700 0.062 0.000 2.353 298 S HA -0.099 4.371 4.470 -0.000 0.000 0.222 298 S C 2.015 176.632 174.600 0.028 0.000 1.035 298 S CA 1.253 59.458 58.200 0.007 0.000 1.025 298 S CB -0.583 62.592 63.200 -0.041 0.000 0.902 298 S HN 0.301 nan 8.310 nan 0.000 0.440 299 F N 1.527 121.490 119.950 0.022 0.000 2.154 299 F HA -0.144 4.383 4.527 -0.000 0.000 0.301 299 F C 2.377 178.284 175.800 0.178 0.000 1.087 299 F CA 0.946 58.993 58.000 0.079 0.000 1.274 299 F CB -0.508 38.528 39.000 0.060 0.000 1.009 299 F HN 0.021 nan 8.300 nan 0.000 0.485 300 V N -0.742 119.333 119.914 0.268 0.000 2.302 300 V HA -0.217 3.902 4.120 -0.000 0.000 0.243 300 V C 2.282 178.538 176.094 0.271 0.000 1.036 300 V CA 1.663 64.118 62.300 0.259 0.000 1.020 300 V CB -0.472 31.371 31.823 0.033 0.000 0.657 300 V HN 0.089 nan 8.190 nan 0.000 0.453 301 K N 0.560 121.004 120.400 0.073 0.000 2.152 301 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 301 K C 1.921 178.567 176.600 0.077 0.000 1.048 301 K CA 1.406 57.675 56.287 -0.030 0.000 0.933 301 K CB -0.219 32.201 32.500 -0.133 0.000 0.721 301 K HN 0.376 nan 8.250 nan 0.000 0.447 302 E N -0.781 119.464 120.200 0.075 0.000 2.502 302 E HA 0.054 4.404 4.350 -0.000 0.000 0.194 302 E C 0.647 177.309 176.600 0.104 0.000 1.062 302 E CA 0.718 57.148 56.400 0.051 0.000 0.867 302 E CB 0.109 29.788 29.700 -0.035 0.000 0.888 302 E HN 0.499 nan 8.360 nan 0.000 0.510 303 G N 1.401 110.329 108.800 0.212 0.000 2.225 303 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.267 303 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.267 303 G C 0.616 175.578 174.900 0.103 0.000 1.024 303 G CA 0.477 45.688 45.100 0.185 0.000 0.784 303 G HN 0.364 nan 8.290 nan 0.000 0.507 304 C N 0.928 120.362 119.300 0.223 0.000 2.293 304 C HA 0.606 5.066 4.460 -0.000 0.000 0.380 304 C C 0.457 175.664 174.990 0.362 0.000 1.343 304 C CA -0.234 58.902 59.018 0.197 0.000 1.754 304 C CB -2.508 25.275 27.740 0.072 0.000 2.265 304 C HN 0.578 nan 8.230 nan 0.000 0.579 305 F N -1.436 118.566 119.950 0.086 0.000 2.599 305 F HA 0.708 5.234 4.527 -0.000 0.000 0.311 305 F C 0.145 175.854 175.800 -0.152 0.000 1.076 305 F CA -1.100 56.883 58.000 -0.028 0.000 0.937 305 F CB 1.184 40.167 39.000 -0.028 0.000 1.282 305 F HN -0.250 nan 8.300 nan 0.000 0.460 306 Q N 0.023 119.644 119.800 -0.298 0.000 2.245 306 Q HA 0.319 4.659 4.340 -0.000 0.000 0.236 306 Q C -0.848 175.015 176.000 -0.229 0.000 0.842 306 Q CA 0.273 55.814 55.803 -0.437 0.000 0.945 306 Q CB 1.054 29.302 28.738 -0.816 0.000 1.122 306 Q HN 0.764 nan 8.270 nan 0.000 0.506 307 E N 0.289 120.432 120.200 -0.095 0.000 2.343 307 E HA 0.279 4.629 4.350 -0.000 0.000 0.286 307 E C -1.364 175.186 176.600 -0.083 0.000 0.915 307 E CA -0.326 56.054 56.400 -0.033 0.000 0.784 307 E CB 1.230 30.923 29.700 -0.012 0.000 1.251 307 E HN -0.042 nan 8.360 nan 0.000 0.407 308 I N 5.624 126.093 120.570 -0.168 0.000 2.378 308 I HA 0.444 4.614 4.170 -0.000 0.000 0.291 308 I C -0.142 175.649 176.117 -0.544 0.000 0.992 308 I CA -0.658 60.354 61.300 -0.479 0.000 1.154 308 I CB 1.199 38.795 38.000 -0.674 0.000 1.315 308 I HN 0.544 nan 8.210 nan 0.000 0.448 309 I N 6.513 126.722 120.570 -0.601 0.000 2.439 309 I HA 0.353 4.523 4.170 -0.000 0.000 0.283 309 I C -1.151 174.728 176.117 -0.396 0.000 1.023 309 I CA -0.443 60.572 61.300 -0.474 0.000 1.100 309 I CB 1.499 39.282 38.000 -0.362 0.000 1.238 309 I HN 0.198 nan 8.210 nan 0.000 0.445 310 F N 5.218 124.909 119.950 -0.431 0.000 2.482 310 F HA 0.470 4.996 4.527 -0.000 0.000 0.331 310 F C -0.314 175.036 175.800 -0.750 0.000 1.115 310 F CA -1.376 56.307 58.000 -0.529 0.000 0.955 310 F CB 1.115 39.701 39.000 -0.690 0.000 1.136 310 F HN 0.232 nan 8.300 nan 0.000 0.452 311 Y N 3.003 123.178 120.300 -0.209 0.000 2.327 311 Y HA 0.466 5.016 4.550 -0.000 0.000 0.336 311 Y C -0.576 175.246 175.900 -0.129 0.000 1.035 311 Y CA -0.368 57.635 58.100 -0.162 0.000 1.165 311 Y CB 0.739 39.192 38.460 -0.011 0.000 1.181 311 Y HN 0.269 nan 8.280 nan 0.000 0.494 312 F N 2.192 122.237 119.950 0.158 0.000 2.449 312 F HA 0.661 5.188 4.527 -0.000 0.000 0.342 312 F C 0.244 176.098 175.800 0.090 0.000 1.127 312 F CA -1.678 56.380 58.000 0.097 0.000 0.975 312 F CB 1.109 40.143 39.000 0.057 0.000 1.146 312 F HN 0.487 nan 8.300 nan 0.000 0.444 313 A N 4.964 127.952 122.820 0.279 0.000 2.303 313 A HA 0.698 5.018 4.320 -0.000 0.000 0.317 313 A C -2.354 175.298 177.584 0.112 0.000 1.149 313 A CA -1.740 50.400 52.037 0.171 0.000 0.822 313 A CB 0.436 19.523 19.000 0.145 0.000 1.131 313 A HN 0.485 nan 8.150 nan 0.000 0.493 314 P HA 0.166 nan 4.420 nan 0.000 0.235 314 P C -0.823 176.499 177.300 0.038 0.000 1.765 314 P CA 0.597 63.727 63.100 0.050 0.000 1.034 314 P CB -0.513 31.212 31.700 0.043 0.000 1.984 315 K N 1.363 121.783 120.400 0.034 0.000 2.536 315 K HA 0.590 4.910 4.320 -0.000 0.000 0.269 315 K C -0.878 175.728 176.600 0.009 0.000 0.965 315 K CA -0.925 55.379 56.287 0.028 0.000 0.860 315 K CB 2.279 34.809 32.500 0.050 0.000 1.423 315 K HN 0.124 nan 8.250 nan 0.000 0.438 316 L N 3.167 124.392 121.223 0.005 0.000 2.406 316 L HA 0.509 4.849 4.340 -0.000 0.000 0.270 316 L C -0.797 176.072 176.870 -0.000 0.000 0.982 316 L CA -0.683 54.151 54.840 -0.010 0.000 0.843 316 L CB 1.365 43.413 42.059 -0.018 0.000 1.225 316 L HN 0.461 nan 8.230 nan 0.000 0.412 317 I N 2.605 123.174 120.570 -0.002 0.000 2.325 317 I HA 0.302 4.472 4.170 -0.000 0.000 0.291 317 I C 1.184 177.297 176.117 -0.007 0.000 1.019 317 I CA -0.068 61.235 61.300 0.006 0.000 1.302 317 I CB 1.515 39.521 38.000 0.010 0.000 1.401 317 I HN 0.654 nan 8.210 nan 0.000 0.485 318 G N 4.027 112.825 108.800 -0.003 0.000 2.481 318 G HA2 0.550 4.510 3.960 -0.000 0.000 0.251 318 G HA3 0.550 4.510 3.960 -0.000 0.000 0.251 318 G C 0.136 175.027 174.900 -0.014 0.000 1.492 318 G CA 0.011 45.104 45.100 -0.013 0.000 1.060 318 G HN 1.011 nan 8.290 nan 0.000 0.553 319 G N -2.816 105.971 108.800 -0.022 0.000 2.781 319 G HA2 0.218 4.178 3.960 -0.000 0.000 0.468 319 G HA3 0.218 4.178 3.960 -0.000 0.000 0.468 319 G C 0.203 175.060 174.900 -0.071 0.000 1.186 319 G CA 0.639 45.724 45.100 -0.025 0.000 1.220 319 G HN 1.009 nan 8.290 nan 0.000 0.564 320 T N 0.013 114.486 114.554 -0.135 0.000 3.023 320 T HA 0.041 4.391 4.350 -0.000 0.000 0.266 320 T C 1.227 175.670 174.700 -0.427 0.000 1.093 320 T CA 1.573 63.507 62.100 -0.277 0.000 1.129 320 T CB -0.151 68.508 68.868 -0.348 0.000 0.899 320 T HN 0.597 nan 8.240 nan 0.000 0.491 321 H N 0.173 119.236 119.070 -0.011 0.000 2.567 321 H HA 0.585 5.140 4.556 -0.000 0.000 0.267 321 H C 0.312 175.632 175.328 -0.013 0.000 1.148 321 H CA -0.248 55.793 56.048 -0.011 0.000 1.031 321 H CB 0.060 29.816 29.762 -0.010 0.000 1.691 321 H HN 0.352 nan 8.280 nan 0.000 0.588 322 A N 2.745 125.589 122.820 0.041 0.000 2.316 322 A HA 0.430 4.750 4.320 -0.000 0.000 0.284 322 A C -2.060 175.529 177.584 0.009 0.000 1.115 322 A CA -1.357 50.694 52.037 0.024 0.000 0.812 322 A CB 0.442 19.443 19.000 0.003 0.000 1.064 322 A HN 0.005 nan 8.150 nan 0.000 0.489 323 P HA 0.242 nan 4.420 nan 0.000 0.282 323 P C -0.416 176.871 177.300 -0.023 0.000 1.274 323 P CA 0.054 63.150 63.100 -0.007 0.000 0.770 323 P CB 1.130 32.826 31.700 -0.007 0.000 0.867 324 S N 2.361 118.043 115.700 -0.030 0.000 2.693 324 S HA 0.253 4.723 4.470 -0.000 0.000 0.276 324 S C 1.818 176.376 174.600 -0.069 0.000 1.192 324 S CA -0.759 57.411 58.200 -0.051 0.000 0.994 324 S CB 0.543 63.715 63.200 -0.048 0.000 1.012 324 S HN 0.364 nan 8.310 nan 0.000 0.550 325 L N 0.534 121.682 121.223 -0.125 0.000 1.991 325 L HA -0.135 4.205 4.340 -0.000 0.000 0.221 325 L C 0.367 177.167 176.870 -0.116 0.000 1.079 325 L CA 1.577 56.283 54.840 -0.222 0.000 0.778 325 L CB -0.335 41.446 42.059 -0.463 0.000 0.893 325 L HN 0.505 nan 8.230 nan 0.000 0.437 326 I N -0.935 119.593 120.570 -0.070 0.000 2.406 326 I HA 0.202 4.372 4.170 -0.000 0.000 0.290 326 I C 0.156 176.268 176.117 -0.008 0.000 0.999 326 I CA -0.369 60.927 61.300 -0.007 0.000 1.124 326 I CB 1.765 39.769 38.000 0.007 0.000 1.289 326 I HN 0.142 nan 8.210 nan 0.000 0.441 327 S N 4.072 119.772 115.700 -0.001 0.000 2.753 327 S HA 0.970 5.440 4.470 -0.000 0.000 0.302 327 S C 0.343 174.930 174.600 -0.023 0.000 1.104 327 S CA -0.054 58.138 58.200 -0.013 0.000 0.968 327 S CB 1.673 64.868 63.200 -0.009 0.000 1.278 327 S HN 1.157 nan 8.310 nan 0.000 0.549 328 G N 0.406 109.190 108.800 -0.027 0.000 2.512 328 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.240 328 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.240 328 G C 0.368 175.232 174.900 -0.059 0.000 1.246 328 G CA 0.319 45.395 45.100 -0.038 0.000 0.919 328 G HN 0.724 nan 8.290 nan 0.000 0.577 329 E N 1.074 121.224 120.200 -0.083 0.000 1.963 329 E HA 0.211 4.561 4.350 -0.000 0.000 0.215 329 E C 1.511 178.025 176.600 -0.144 0.000 0.993 329 E CA 2.390 58.722 56.400 -0.113 0.000 0.880 329 E CB -1.091 28.520 29.700 -0.149 0.000 0.811 329 E HN 2.417 nan 8.360 nan 0.000 0.539 330 G N 0.080 108.719 108.800 -0.268 0.000 2.788 330 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 330 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 330 G C -0.568 174.152 174.900 -0.300 0.000 1.147 330 G CA -0.310 44.611 45.100 -0.298 0.000 0.755 330 G HN 0.126 nan 8.290 nan 0.000 0.634 331 F N 1.326 121.290 119.950 0.024 0.000 2.484 331 F HA 0.301 4.828 4.527 -0.000 0.000 0.360 331 F C 1.951 177.760 175.800 0.016 0.000 1.101 331 F CA -0.235 57.778 58.000 0.022 0.000 1.251 331 F CB 0.996 40.011 39.000 0.025 0.000 1.132 331 F HN 0.419 nan 8.300 nan 0.000 0.570 332 Q N 0.835 120.746 119.800 0.186 0.000 2.212 332 Q HA 0.090 4.430 4.340 -0.000 0.000 0.199 332 Q C 0.025 176.082 176.000 0.095 0.000 0.950 332 Q CA 0.655 56.521 55.803 0.105 0.000 0.863 332 Q CB 0.224 29.005 28.738 0.072 0.000 0.944 332 Q HN 0.539 nan 8.270 nan 0.000 0.465 333 S N 0.179 115.944 115.700 0.107 0.000 2.547 333 S HA 0.310 4.780 4.470 -0.000 0.000 0.281 333 S C 0.893 175.519 174.600 0.044 0.000 1.118 333 S CA -0.570 57.668 58.200 0.063 0.000 0.947 333 S CB 1.454 64.679 63.200 0.042 0.000 1.053 333 S HN 0.015 nan 8.310 nan 0.000 0.482 334 M N 2.212 121.828 119.600 0.026 0.000 2.260 334 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 334 M C 1.766 178.046 176.300 -0.032 0.000 1.066 334 M CA 1.588 56.888 55.300 -0.000 0.000 1.082 334 M CB -1.422 31.181 32.600 0.004 0.000 1.388 334 M HN 0.731 nan 8.290 nan 0.000 0.419 335 K N -0.903 119.484 120.400 -0.022 0.000 2.555 335 K HA -0.050 4.270 4.320 -0.000 0.000 0.193 335 K C 0.536 177.102 176.600 -0.058 0.000 1.032 335 K CA 0.933 57.200 56.287 -0.033 0.000 1.004 335 K CB 0.044 32.535 32.500 -0.015 0.000 0.804 335 K HN 0.352 nan 8.250 nan 0.000 0.496 336 D N 0.694 121.043 120.400 -0.085 0.000 2.457 336 D HA -0.026 4.614 4.640 -0.000 0.000 0.254 336 D C 0.015 176.066 176.300 -0.416 0.000 1.097 336 D CA -0.031 53.880 54.000 -0.149 0.000 0.870 336 D CB 0.746 41.531 40.800 -0.025 0.000 1.253 336 D HN 0.063 nan 8.370 nan 0.000 0.500 337 V N 3.885 123.550 119.914 -0.416 0.000 2.458 337 V HA 0.096 4.216 4.120 -0.000 0.000 0.287 337 V C -2.363 173.458 176.094 -0.453 0.000 1.009 337 V CA -0.910 60.989 62.300 -0.669 0.000 1.091 337 V CB 0.471 32.165 31.823 -0.214 0.000 0.960 337 V HN -0.134 nan 8.190 nan 0.000 0.476 338 P HA 0.149 nan 4.420 nan 0.000 0.266 338 P C -0.692 176.524 177.300 -0.139 0.000 1.195 338 P CA -0.182 62.768 63.100 -0.250 0.000 0.768 338 P CB 0.479 32.070 31.700 -0.182 0.000 0.838 339 L N 4.388 125.546 121.223 -0.109 0.000 2.290 339 L HA 0.288 4.627 4.340 -0.000 0.000 0.284 339 L C -0.653 176.163 176.870 -0.090 0.000 1.078 339 L CA 0.184 54.969 54.840 -0.091 0.000 0.815 339 L CB -0.103 41.909 42.059 -0.078 0.000 1.162 339 L HN 0.253 nan 8.230 nan 0.000 0.435 340 L N 3.901 125.054 121.223 -0.116 0.000 2.492 340 L HA 0.589 4.929 4.340 -0.000 0.000 0.263 340 L C -0.396 176.354 176.870 -0.199 0.000 1.062 340 L CA -0.836 53.918 54.840 -0.143 0.000 0.817 340 L CB 1.243 43.201 42.059 -0.167 0.000 1.441 340 L HN 0.659 nan 8.230 nan 0.000 0.493 341 Q N 0.529 120.200 119.800 -0.215 0.000 2.309 341 Q HA 0.311 4.651 4.340 -0.000 0.000 0.254 341 Q C -1.706 174.204 176.000 -0.149 0.000 0.938 341 Q CA -0.630 55.069 55.803 -0.172 0.000 0.789 341 Q CB 1.298 29.998 28.738 -0.064 0.000 1.313 341 Q HN 0.308 nan 8.270 nan 0.000 0.438 342 F N 2.417 122.366 119.950 -0.001 0.000 2.602 342 F HA 0.004 4.531 4.527 -0.000 0.000 0.385 342 F C 1.769 177.565 175.800 -0.007 0.000 1.063 342 F CA 1.198 59.191 58.000 -0.011 0.000 1.233 342 F CB 1.098 40.096 39.000 -0.004 0.000 1.067 342 F HN 0.705 nan 8.300 nan 0.000 0.564 343 T N -2.283 112.384 114.554 0.188 0.000 3.023 343 T HA 0.153 4.503 4.350 -0.000 0.000 0.249 343 T C -0.106 174.649 174.700 0.092 0.000 1.050 343 T CA 0.351 62.517 62.100 0.110 0.000 1.088 343 T CB 0.151 69.067 68.868 0.079 0.000 0.946 343 T HN 0.477 nan 8.240 nan 0.000 0.480 344 D N -0.312 120.142 120.400 0.090 0.000 2.837 344 D HA 0.467 5.106 4.640 -0.000 0.000 0.220 344 D C -1.891 174.398 176.300 -0.018 0.000 1.236 344 D CA -0.759 53.262 54.000 0.035 0.000 0.838 344 D CB 1.450 42.268 40.800 0.030 0.000 1.647 344 D HN 0.086 nan 8.370 nan 0.000 0.486 345 I N 2.701 123.239 120.570 -0.053 0.000 2.750 345 I HA 0.270 4.440 4.170 -0.000 0.000 0.279 345 I C -0.181 175.895 176.117 -0.068 0.000 1.206 345 I CA -0.277 60.959 61.300 -0.108 0.000 1.101 345 I CB 1.489 39.400 38.000 -0.148 0.000 1.431 345 I HN 0.221 nan 8.210 nan 0.000 0.551 346 T N 3.256 117.774 114.554 -0.060 0.000 2.799 346 T HA 0.334 4.684 4.350 -0.000 0.000 0.286 346 T C -0.166 174.520 174.700 -0.022 0.000 0.973 346 T CA -0.384 61.698 62.100 -0.030 0.000 1.035 346 T CB 1.330 70.191 68.868 -0.012 0.000 0.932 346 T HN 0.426 nan 8.240 nan 0.000 0.469 347 Q N 3.131 122.932 119.800 0.001 0.000 2.274 347 Q HA 0.470 4.810 4.340 -0.000 0.000 0.256 347 Q C -1.075 174.952 176.000 0.045 0.000 0.927 347 Q CA -0.416 55.401 55.803 0.023 0.000 0.939 347 Q CB 0.478 29.228 28.738 0.020 0.000 1.201 347 Q HN 0.626 nan 8.270 nan 0.000 0.426 348 I N 5.118 125.734 120.570 0.077 0.000 2.390 348 I HA 0.366 4.536 4.170 -0.000 0.000 0.283 348 I C 0.811 176.982 176.117 0.090 0.000 1.016 348 I CA -0.206 61.153 61.300 0.099 0.000 1.151 348 I CB 0.986 39.088 38.000 0.170 0.000 1.293 348 I HN 1.031 nan 8.210 nan 0.000 0.458 349 G N 6.518 115.356 108.800 0.063 0.000 2.556 349 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.283 349 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.283 349 G C 0.929 175.861 174.900 0.054 0.000 1.177 349 G CA 0.480 45.612 45.100 0.054 0.000 0.978 349 G HN 0.774 nan 8.290 nan 0.000 0.554 350 R N 1.596 122.131 120.500 0.057 0.000 2.317 350 R HA 0.193 4.533 4.340 -0.000 0.000 0.208 350 R C -0.155 176.191 176.300 0.075 0.000 0.914 350 R CA 1.105 57.238 56.100 0.055 0.000 1.060 350 R CB -0.176 30.151 30.300 0.044 0.000 1.015 350 R HN 0.484 nan 8.270 nan 0.000 0.498 351 D N 1.095 121.554 120.400 0.098 0.000 2.506 351 D HA 0.482 5.122 4.640 -0.000 0.000 0.272 351 D C -0.119 176.255 176.300 0.124 0.000 1.214 351 D CA -0.326 53.755 54.000 0.136 0.000 1.067 351 D CB 1.082 41.991 40.800 0.182 0.000 1.117 351 D HN 0.034 nan 8.370 nan 0.000 0.578 352 I N 0.340 120.994 120.570 0.139 0.000 2.586 352 I HA 0.141 4.310 4.170 -0.000 0.000 0.288 352 I C -0.528 175.558 176.117 -0.050 0.000 1.147 352 I CA -0.722 60.618 61.300 0.067 0.000 1.047 352 I CB 2.075 40.129 38.000 0.090 0.000 1.244 352 I HN -0.024 nan 8.210 nan 0.000 0.429 353 K N 7.446 127.754 120.400 -0.153 0.000 2.234 353 K HA 0.612 4.932 4.320 -0.000 0.000 0.277 353 K C -1.442 174.977 176.600 -0.301 0.000 1.038 353 K CA -0.468 55.575 56.287 -0.407 0.000 0.888 353 K CB 1.029 33.245 32.500 -0.472 0.000 1.091 353 K HN 0.587 nan 8.250 nan 0.000 0.467 354 L N 3.430 124.439 121.223 -0.356 0.000 2.313 354 L HA 0.348 4.687 4.340 -0.000 0.000 0.283 354 L C -0.016 176.751 176.870 -0.172 0.000 1.013 354 L CA -0.632 54.081 54.840 -0.211 0.000 0.816 354 L CB 1.937 43.917 42.059 -0.132 0.000 1.236 354 L HN 0.658 nan 8.230 nan 0.000 0.419 355 T N 2.398 116.931 114.554 -0.035 0.000 2.881 355 T HA 0.845 5.195 4.350 -0.000 0.000 0.290 355 T C -0.987 173.770 174.700 0.095 0.000 1.000 355 T CA -0.297 61.775 62.100 -0.047 0.000 0.978 355 T CB 1.583 70.420 68.868 -0.051 0.000 0.997 355 T HN 0.756 nan 8.240 nan 0.000 0.443 356 A N 4.091 126.904 122.820 -0.011 0.000 2.594 356 A HA 0.900 5.220 4.320 -0.000 0.000 0.291 356 A C -1.284 176.266 177.584 -0.056 0.000 1.105 356 A CA -0.949 51.066 52.037 -0.037 0.000 0.694 356 A CB 1.650 20.500 19.000 -0.250 0.000 1.291 356 A HN 0.799 nan 8.150 nan 0.000 0.410 357 K N 0.990 121.361 120.400 -0.047 0.000 2.435 357 K HA 0.622 4.942 4.320 -0.000 0.000 0.251 357 K C -2.799 173.765 176.600 -0.059 0.000 0.954 357 K CA -1.993 54.277 56.287 -0.027 0.000 0.820 357 K CB 2.509 35.010 32.500 0.002 0.000 1.292 357 K HN 0.552 nan 8.250 nan 0.000 0.436 358 P HA 0.011 nan 4.420 nan 0.000 0.271 358 P C -0.653 176.590 177.300 -0.095 0.000 1.244 358 P CA 0.204 63.224 63.100 -0.134 0.000 0.793 358 P CB 0.338 31.859 31.700 -0.298 0.000 0.984 359 T N 0.000 114.500 114.554 -0.090 0.000 3.816 359 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 359 T CA 0.000 62.061 62.100 -0.065 0.000 1.349 359 T CB 0.000 68.839 68.868 -0.049 0.000 0.612 359 T HN 0.000 nan 8.240 nan 0.000 0.658