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 1tye_1_F DATA FIRST_RESID 1 DATA SEQUENCE GPNIcTTRGV SScQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE PESIEFPVSE ARVLEDRPLS DKGSGDSSQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDcACQAQ 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.892 174.900 -0.013 0.000 0.946 1 G CA 0.000 45.093 45.100 -0.012 0.000 0.502 2 P HA 0.432 nan 4.420 nan 0.000 0.281 2 P C -0.812 176.485 177.300 -0.006 0.000 1.252 2 P CA -0.359 62.736 63.100 -0.008 0.000 0.778 2 P CB 0.909 32.606 31.700 -0.006 0.000 0.895 3 N N 1.082 119.779 118.700 -0.005 0.000 2.469 3 N HA 0.269 5.009 4.740 -0.000 0.000 0.286 3 N C 0.473 175.986 175.510 0.006 0.000 1.275 3 N CA -0.917 52.133 53.050 -0.000 0.000 0.790 3 N CB 0.414 38.899 38.487 -0.004 0.000 1.446 3 N HN 0.136 nan 8.380 nan 0.000 0.501 4 I N 0.034 120.610 120.570 0.011 0.000 2.381 4 I HA -0.285 3.885 4.170 -0.000 0.000 0.255 4 I C 1.076 177.208 176.117 0.025 0.000 1.140 4 I CA 1.449 62.759 61.300 0.017 0.000 1.404 4 I CB -0.217 37.795 38.000 0.019 0.000 1.075 4 I HN 0.755 nan 8.210 nan 0.000 0.433 5 c N -1.072 117.544 118.600 0.027 0.000 2.518 5 c HA -0.069 4.501 4.570 -0.000 0.000 0.279 5 c C 2.665 176.774 174.090 0.032 0.000 1.279 5 c CA 1.161 57.514 56.329 0.040 0.000 1.703 5 c CB -1.404 41.130 42.510 0.040 0.000 2.072 5 c HN 0.467 nan 8.230 nan 0.000 0.487 6 T N 0.805 115.366 114.554 0.011 0.000 2.803 6 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 6 T C 1.813 176.518 174.700 0.009 0.000 1.052 6 T CA 2.153 64.253 62.100 0.001 0.000 1.136 6 T CB -0.362 68.499 68.868 -0.011 0.000 0.864 6 T HN 0.593 nan 8.240 nan 0.000 0.467 7 T N 1.316 115.878 114.554 0.013 0.000 2.852 7 T HA 0.080 4.430 4.350 -0.000 0.000 0.256 7 T C 0.928 175.638 174.700 0.017 0.000 1.038 7 T CA 0.692 62.799 62.100 0.012 0.000 1.141 7 T CB 0.072 68.946 68.868 0.009 0.000 0.869 7 T HN 0.302 nan 8.240 nan 0.000 0.439 8 R N 1.282 121.796 120.500 0.023 0.000 2.564 8 R HA 0.515 4.855 4.340 -0.000 0.000 0.282 8 R C -0.316 176.007 176.300 0.037 0.000 1.573 8 R CA -0.473 55.642 56.100 0.025 0.000 1.588 8 R CB 1.273 31.585 30.300 0.021 0.000 1.154 8 R HN 0.179 nan 8.270 nan 0.000 0.606 9 G N 1.109 109.938 108.800 0.048 0.000 2.417 9 G HA2 0.502 4.462 3.960 -0.000 0.000 0.320 9 G HA3 0.502 4.462 3.960 -0.000 0.000 0.320 9 G C -0.166 174.786 174.900 0.087 0.000 1.204 9 G CA -0.365 44.780 45.100 0.076 0.000 0.923 9 G HN 0.138 nan 8.290 nan 0.000 0.466 10 V N 1.217 121.188 119.914 0.095 0.000 3.096 10 V HA 0.501 4.621 4.120 -0.000 0.000 0.319 10 V C 1.265 177.451 176.094 0.153 0.000 1.082 10 V CA -0.494 61.862 62.300 0.093 0.000 1.022 10 V CB 1.688 33.543 31.823 0.054 0.000 1.103 10 V HN 0.933 nan 8.190 nan 0.000 0.455 11 S N 0.984 116.769 115.700 0.143 0.000 3.797 11 S HA 0.219 4.689 4.470 -0.000 0.000 0.187 11 S C 0.240 174.901 174.600 0.102 0.000 1.165 11 S CA 0.273 58.593 58.200 0.200 0.000 1.013 11 S CB -1.496 61.786 63.200 0.138 0.000 1.456 11 S HN 1.518 nan 8.310 nan 0.000 0.442 12 S N -0.630 115.009 115.700 -0.101 0.000 2.556 12 S HA 0.265 4.735 4.470 -0.000 0.000 0.280 12 S C 0.325 174.276 174.600 -1.082 0.000 1.141 12 S CA -0.510 57.390 58.200 -0.500 0.000 0.883 12 S CB 0.506 63.558 63.200 -0.247 0.000 1.103 12 S HN 0.422 nan 8.310 nan 0.000 0.453 13 c N 1.979 119.637 118.600 -1.571 0.000 2.422 13 c HA -0.072 4.498 4.570 -0.000 0.000 0.279 13 c C 2.357 176.086 174.090 -0.601 0.000 1.305 13 c CA 1.685 57.078 56.329 -1.562 0.000 1.757 13 c CB -1.533 40.156 42.510 -1.368 0.000 1.962 13 c HN 0.959 nan 8.230 nan 0.000 0.499 14 Q N -0.538 119.010 119.800 -0.419 0.000 2.123 14 Q HA -0.198 4.142 4.340 -0.000 0.000 0.199 14 Q C 2.183 178.094 176.000 -0.150 0.000 0.966 14 Q CA 1.429 57.101 55.803 -0.219 0.000 0.845 14 Q CB -0.312 28.326 28.738 -0.168 0.000 0.907 14 Q HN 0.753 nan 8.270 nan 0.000 0.439 15 Q N -0.071 119.636 119.800 -0.155 0.000 2.389 15 Q HA -0.085 4.255 4.340 -0.000 0.000 0.204 15 Q C 2.001 177.981 176.000 -0.034 0.000 0.944 15 Q CA 0.517 56.274 55.803 -0.077 0.000 0.908 15 Q CB 0.052 28.754 28.738 -0.059 0.000 1.002 15 Q HN 0.419 nan 8.270 nan 0.000 0.493 16 c N -0.027 118.551 118.600 -0.038 0.000 2.453 16 c HA -0.031 4.539 4.570 -0.000 0.000 0.277 16 c C 2.312 176.440 174.090 0.064 0.000 1.262 16 c CA 0.490 56.864 56.329 0.075 0.000 1.718 16 c CB -0.988 41.650 42.510 0.215 0.000 2.031 16 c HN 0.610 nan 8.230 nan 0.000 0.480 17 L N 1.433 122.672 121.223 0.028 0.000 2.265 17 L HA -0.053 4.287 4.340 -0.000 0.000 0.215 17 L C 2.750 179.623 176.870 0.004 0.000 1.117 17 L CA 1.341 56.198 54.840 0.029 0.000 0.782 17 L CB -0.769 41.288 42.059 -0.004 0.000 0.914 17 L HN 0.445 nan 8.230 nan 0.000 0.441 18 A N -0.620 122.194 122.820 -0.010 0.000 2.235 18 A HA 0.069 4.389 4.320 -0.000 0.000 0.208 18 A C 2.111 179.693 177.584 -0.004 0.000 1.172 18 A CA 0.603 52.629 52.037 -0.019 0.000 0.786 18 A CB -0.275 18.710 19.000 -0.025 0.000 0.804 18 A HN 0.224 nan 8.150 nan 0.000 0.479 19 V N -1.529 118.395 119.914 0.016 0.000 2.685 19 V HA 0.173 4.293 4.120 -0.000 0.000 0.244 19 V C 0.907 177.014 176.094 0.023 0.000 1.054 19 V CA 1.417 63.730 62.300 0.023 0.000 1.076 19 V CB 0.305 32.151 31.823 0.038 0.000 0.725 19 V HN 0.496 nan 8.190 nan 0.000 0.467 20 S N -1.977 113.743 115.700 0.033 0.000 2.606 20 S HA 0.325 4.795 4.470 -0.000 0.000 0.290 20 S C -2.683 171.952 174.600 0.058 0.000 1.103 20 S CA -0.511 57.711 58.200 0.036 0.000 0.870 20 S CB 1.740 64.964 63.200 0.041 0.000 1.077 20 S HN 0.006 nan 8.310 nan 0.000 0.448 21 P HA -0.092 nan 4.420 nan 0.000 0.224 21 P C 1.159 178.551 177.300 0.153 0.000 1.142 21 P CA 1.236 64.368 63.100 0.052 0.000 0.778 21 P CB -0.130 31.582 31.700 0.021 0.000 0.764 22 M N -4.659 115.045 119.600 0.173 0.000 2.516 22 M HA 0.162 4.642 4.480 -0.000 0.000 0.259 22 M C 0.542 176.978 176.300 0.227 0.000 1.146 22 M CA 0.365 55.807 55.300 0.237 0.000 1.122 22 M CB -0.677 31.993 32.600 0.116 0.000 1.341 22 M HN -0.314 nan 8.290 nan 0.000 0.478 23 c N 3.133 121.841 118.600 0.180 0.000 2.679 23 c HA 0.643 5.213 4.570 -0.000 0.000 0.417 23 c C 1.168 175.400 174.090 0.237 0.000 1.302 23 c CA -0.173 56.246 56.329 0.149 0.000 1.973 23 c CB -0.112 42.474 42.510 0.126 0.000 2.715 23 c HN 0.635 nan 8.230 nan 0.000 0.628 24 A N 2.906 125.825 122.820 0.164 0.000 2.548 24 A HA 0.975 5.295 4.320 -0.000 0.000 0.262 24 A C -1.209 176.556 177.584 0.302 0.000 1.271 24 A CA -0.407 51.766 52.037 0.227 0.000 0.839 24 A CB 1.305 20.305 19.000 0.000 0.000 1.381 24 A HN 0.968 nan 8.150 nan 0.000 0.468 25 W N -0.921 120.407 121.300 0.046 0.000 3.707 25 W HA 0.454 5.114 4.660 -0.000 0.000 0.294 25 W C -2.274 174.259 176.519 0.023 0.000 1.248 25 W CA -0.654 56.709 57.345 0.029 0.000 1.217 25 W CB 1.315 30.797 29.460 0.038 0.000 1.306 25 W HN 0.960 nan 8.180 nan 0.000 0.532 26 c N 5.032 123.434 118.600 -0.331 0.000 2.814 26 c HA 0.504 5.074 4.570 -0.000 0.000 0.269 26 c C -0.067 173.878 174.090 -0.242 0.000 1.090 26 c CA -0.010 56.220 56.329 -0.164 0.000 1.492 26 c CB -0.370 42.048 42.510 -0.153 0.000 1.825 26 c HN 0.478 nan 8.230 nan 0.000 0.442 27 S N 4.084 119.826 115.700 0.071 0.000 2.405 27 S HA 0.474 4.944 4.470 -0.000 0.000 0.291 27 S C -0.369 174.280 174.600 0.082 0.000 1.137 27 S CA 0.282 58.586 58.200 0.173 0.000 1.061 27 S CB 0.005 63.484 63.200 0.465 0.000 1.001 27 S HN 0.928 nan 8.310 nan 0.000 0.507 28 D N 2.054 122.464 120.400 0.016 0.000 2.812 28 D HA 0.370 5.010 4.640 -0.000 0.000 0.318 28 D C 0.586 176.887 176.300 0.001 0.000 1.234 28 D CA -0.447 53.559 54.000 0.010 0.000 0.989 28 D CB 0.877 41.669 40.800 -0.013 0.000 1.442 28 D HN 0.418 nan 8.370 nan 0.000 0.537 29 E N -0.669 119.530 120.200 -0.002 0.000 2.206 29 E HA 0.253 4.603 4.350 -0.000 0.000 0.195 29 E C 0.259 176.849 176.600 -0.016 0.000 0.935 29 E CA 0.060 56.457 56.400 -0.004 0.000 0.875 29 E CB 0.275 29.976 29.700 0.002 0.000 0.841 29 E HN 0.332 nan 8.360 nan 0.000 0.477 30 A N 2.182 124.991 122.820 -0.019 0.000 3.052 30 A HA 0.226 4.546 4.320 -0.000 0.000 0.266 30 A C -0.236 177.325 177.584 -0.038 0.000 1.855 30 A CA 0.539 52.561 52.037 -0.024 0.000 1.473 30 A CB -0.969 18.018 19.000 -0.020 0.000 1.038 30 A HN 0.105 nan 8.150 nan 0.000 0.619 31 L N 1.585 122.782 121.223 -0.043 0.000 2.528 31 L HA 0.350 4.690 4.340 -0.000 0.000 0.267 31 L C -2.494 174.344 176.870 -0.054 0.000 0.961 31 L CA -1.667 53.136 54.840 -0.061 0.000 0.866 31 L CB 2.437 44.442 42.059 -0.090 0.000 1.248 31 L HN 0.256 nan 8.230 nan 0.000 0.404 32 P HA 0.177 nan 4.420 nan 0.000 0.269 32 P C 0.759 178.031 177.300 -0.048 0.000 1.215 32 P CA -0.418 62.657 63.100 -0.042 0.000 0.780 32 P CB 0.842 32.519 31.700 -0.039 0.000 0.898 33 L N 0.827 122.028 121.223 -0.036 0.000 2.549 33 L HA -0.019 4.321 4.340 -0.000 0.000 0.229 33 L C 1.995 178.843 176.870 -0.037 0.000 1.158 33 L CA 1.210 56.029 54.840 -0.035 0.000 0.842 33 L CB -0.673 41.374 42.059 -0.021 0.000 0.952 33 L HN 0.609 nan 8.230 nan 0.000 0.452 34 G N -1.594 107.183 108.800 -0.038 0.000 2.838 34 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.210 34 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.210 34 G C 0.720 175.591 174.900 -0.048 0.000 1.153 34 G CA 0.053 45.131 45.100 -0.037 0.000 0.778 34 G HN 0.209 nan 8.290 nan 0.000 0.539 35 S N 1.792 117.454 115.700 -0.063 0.000 2.512 35 S HA 0.560 5.030 4.470 -0.000 0.000 0.291 35 S C -2.390 172.141 174.600 -0.115 0.000 1.151 35 S CA -1.397 56.755 58.200 -0.080 0.000 1.120 35 S CB 0.717 63.868 63.200 -0.080 0.000 1.029 35 S HN -0.030 nan 8.310 nan 0.000 0.485 36 P HA 0.204 nan 4.420 nan 0.000 0.268 36 P C 0.561 177.711 177.300 -0.250 0.000 1.208 36 P CA -0.237 62.770 63.100 -0.154 0.000 0.777 36 P CB 0.513 32.156 31.700 -0.094 0.000 0.875 37 R N 0.254 120.491 120.500 -0.438 0.000 2.112 37 R HA 0.074 4.414 4.340 -0.000 0.000 0.216 37 R C 0.613 176.634 176.300 -0.465 0.000 1.080 37 R CA 0.432 56.108 56.100 -0.708 0.000 0.996 37 R CB -0.449 28.898 30.300 -1.588 0.000 0.902 37 R HN 0.433 nan 8.270 nan 0.000 0.449 38 c N 2.715 121.182 118.600 -0.222 0.000 2.459 38 c HA 0.194 4.764 4.570 -0.000 0.000 0.358 38 c C -0.400 173.707 174.090 0.028 0.000 1.162 38 c CA -0.112 56.283 56.329 0.111 0.000 1.559 38 c CB -1.737 40.941 42.510 0.279 0.000 2.132 38 c HN 0.374 nan 8.230 nan 0.000 0.536 39 D N 2.775 123.180 120.400 0.009 0.000 2.692 39 D HA 0.294 4.934 4.640 -0.000 0.000 0.290 39 D C -1.000 175.273 176.300 -0.044 0.000 1.281 39 D CA -0.698 53.289 54.000 -0.022 0.000 0.804 39 D CB 0.762 41.526 40.800 -0.059 0.000 1.331 39 D HN 0.450 nan 8.370 nan 0.000 0.432 40 L N 1.984 123.168 121.223 -0.065 0.000 2.506 40 L HA 0.081 4.421 4.340 -0.000 0.000 0.281 40 L C 1.805 178.560 176.870 -0.192 0.000 1.228 40 L CA 0.310 55.078 54.840 -0.120 0.000 0.850 40 L CB 0.544 42.547 42.059 -0.094 0.000 1.110 40 L HN 0.565 nan 8.230 nan 0.000 0.496 41 K N 2.560 122.746 120.400 -0.356 0.000 2.032 41 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 41 K C 1.618 178.080 176.600 -0.231 0.000 1.048 41 K CA 2.128 58.178 56.287 -0.395 0.000 0.927 41 K CB -0.020 32.014 32.500 -0.775 0.000 0.712 41 K HN 0.822 nan 8.250 nan 0.000 0.441 42 E N 0.000 120.081 120.200 -0.199 0.000 2.209 42 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 42 E C 0.682 177.226 176.600 -0.094 0.000 0.993 42 E CA 1.201 57.529 56.400 -0.120 0.000 0.819 42 E CB -0.286 29.358 29.700 -0.093 0.000 0.745 42 E HN 0.255 nan 8.360 nan 0.000 0.477 43 N N 0.124 118.764 118.700 -0.099 0.000 2.346 43 N HA 0.187 4.927 4.740 -0.000 0.000 0.225 43 N C 0.726 176.185 175.510 -0.085 0.000 1.144 43 N CA 0.253 53.256 53.050 -0.079 0.000 0.837 43 N CB 0.601 39.046 38.487 -0.070 0.000 1.069 43 N HN 0.305 nan 8.380 nan 0.000 0.487 44 L N -0.950 120.216 121.223 -0.094 0.000 2.663 44 L HA 0.256 4.596 4.340 -0.000 0.000 0.218 44 L C 1.445 178.271 176.870 -0.073 0.000 1.043 44 L CA 0.185 54.969 54.840 -0.092 0.000 0.876 44 L CB 0.162 42.157 42.059 -0.105 0.000 1.263 44 L HN 0.044 nan 8.230 nan 0.000 0.486 45 L N 0.372 121.554 121.223 -0.068 0.000 2.551 45 L HA -0.083 4.257 4.340 -0.000 0.000 0.228 45 L C 2.235 179.078 176.870 -0.044 0.000 1.153 45 L CA 0.836 55.647 54.840 -0.049 0.000 0.851 45 L CB -0.295 41.737 42.059 -0.044 0.000 0.959 45 L HN 0.263 nan 8.230 nan 0.000 0.451 46 K N 0.179 120.549 120.400 -0.050 0.000 2.202 46 K HA -0.040 4.280 4.320 -0.000 0.000 0.201 46 K C 0.683 177.257 176.600 -0.043 0.000 1.051 46 K CA 0.517 56.778 56.287 -0.043 0.000 0.977 46 K CB 0.408 32.881 32.500 -0.044 0.000 0.792 46 K HN 0.077 nan 8.250 nan 0.000 0.469 47 D N 1.414 121.783 120.400 -0.052 0.000 2.344 47 D HA 0.039 4.679 4.640 -0.000 0.000 0.242 47 D C -0.949 175.321 176.300 -0.050 0.000 1.159 47 D CA 0.249 54.218 54.000 -0.053 0.000 0.859 47 D CB -0.469 40.291 40.800 -0.066 0.000 0.925 47 D HN 0.256 nan 8.370 nan 0.000 0.510 48 N N -0.374 118.300 118.700 -0.042 0.000 2.708 48 N HA -0.200 4.540 4.740 -0.000 0.000 0.255 48 N C -0.951 174.535 175.510 -0.040 0.000 1.046 48 N CA -0.001 53.027 53.050 -0.036 0.000 0.715 48 N CB -1.325 37.144 38.487 -0.031 0.000 0.895 48 N HN 0.211 nan 8.380 nan 0.000 0.545 49 c N 1.083 119.656 118.600 -0.044 0.000 2.382 49 c HA 0.722 5.292 4.570 -0.000 0.000 0.327 49 c C 1.033 175.106 174.090 -0.029 0.000 1.250 49 c CA -0.380 55.921 56.329 -0.046 0.000 1.707 49 c CB 0.264 42.734 42.510 -0.066 0.000 2.272 49 c HN 0.614 nan 8.230 nan 0.000 0.506 50 A N 6.530 129.338 122.820 -0.020 0.000 2.545 50 A HA 0.241 4.561 4.320 -0.000 0.000 0.253 50 A C -1.610 175.976 177.584 0.002 0.000 1.074 50 A CA -0.337 51.696 52.037 -0.006 0.000 0.760 50 A CB -0.217 18.784 19.000 0.001 0.000 1.005 50 A HN 0.776 nan 8.150 nan 0.000 0.506 51 P HA -0.090 nan 4.420 nan 0.000 0.231 51 P C 0.709 178.026 177.300 0.028 0.000 1.158 51 P CA 1.014 64.123 63.100 0.014 0.000 0.763 51 P CB 0.352 32.059 31.700 0.011 0.000 0.805 52 E N -1.560 118.656 120.200 0.027 0.000 2.460 52 E HA 0.050 4.400 4.350 -0.000 0.000 0.200 52 E C 1.566 178.194 176.600 0.047 0.000 1.011 52 E CA 0.596 57.018 56.400 0.035 0.000 0.912 52 E CB -0.221 29.495 29.700 0.027 0.000 0.953 52 E HN 0.330 nan 8.360 nan 0.000 0.494 53 S N 0.604 116.331 115.700 0.046 0.000 2.535 53 S HA 0.116 4.586 4.470 -0.000 0.000 0.214 53 S C 1.220 175.878 174.600 0.096 0.000 0.980 53 S CA -0.489 57.750 58.200 0.065 0.000 0.907 53 S CB -0.671 62.555 63.200 0.043 0.000 0.790 53 S HN 0.257 nan 8.310 nan 0.000 0.510 54 I N 0.275 120.896 120.570 0.084 0.000 2.556 54 I HA 0.447 4.617 4.170 -0.000 0.000 0.284 54 I C -0.392 175.826 176.117 0.168 0.000 1.114 54 I CA -0.246 61.123 61.300 0.114 0.000 1.418 54 I CB 0.522 38.567 38.000 0.075 0.000 1.394 54 I HN -0.113 nan 8.210 nan 0.000 0.552 55 E N 6.673 127.014 120.200 0.234 0.000 2.267 55 E HA 0.259 4.609 4.350 -0.000 0.000 0.241 55 E C -1.501 175.275 176.600 0.292 0.000 0.950 55 E CA -0.343 56.192 56.400 0.225 0.000 0.776 55 E CB 1.168 30.991 29.700 0.205 0.000 1.207 55 E HN 0.578 nan 8.360 nan 0.000 0.436 56 F N 3.977 123.967 119.950 0.067 0.000 2.359 56 F HA 0.401 4.928 4.527 -0.000 0.000 0.370 56 F C -2.303 173.517 175.800 0.033 0.000 1.077 56 F CA -2.984 55.046 58.000 0.051 0.000 1.136 56 F CB 0.942 39.969 39.000 0.044 0.000 1.387 56 F HN 0.006 nan 8.300 nan 0.000 0.468 57 P HA 0.152 nan 4.420 nan 0.000 0.269 57 P C -1.031 175.986 177.300 -0.472 0.000 1.252 57 P CA 0.013 62.960 63.100 -0.255 0.000 0.780 57 P CB 0.596 32.216 31.700 -0.134 0.000 0.829 58 V N 1.130 120.815 119.914 -0.382 0.000 2.370 58 V HA 0.451 4.571 4.120 -0.000 0.000 0.283 58 V C 0.165 176.155 176.094 -0.173 0.000 1.023 58 V CA -0.635 61.457 62.300 -0.346 0.000 0.857 58 V CB 1.482 33.139 31.823 -0.276 0.000 0.985 58 V HN 0.318 nan 8.190 nan 0.000 0.443 59 S N 3.892 119.510 115.700 -0.138 0.000 2.549 59 S HA 0.259 4.729 4.470 -0.000 0.000 0.279 59 S C 0.847 175.423 174.600 -0.040 0.000 1.321 59 S CA 0.143 58.302 58.200 -0.069 0.000 1.054 59 S CB 1.030 64.201 63.200 -0.048 0.000 0.899 59 S HN 1.035 nan 8.310 nan 0.000 0.497 60 E N 2.394 122.581 120.200 -0.021 0.000 2.756 60 E HA 0.511 4.861 4.350 -0.000 0.000 0.192 60 E C 0.200 176.805 176.600 0.008 0.000 1.022 60 E CA 0.059 56.454 56.400 -0.008 0.000 1.224 60 E CB -0.315 29.375 29.700 -0.017 0.000 1.252 60 E HN 0.725 nan 8.360 nan 0.000 0.494 61 A N 1.723 124.540 122.820 -0.005 0.000 2.165 61 A HA -0.176 4.144 4.320 -0.000 0.000 0.272 61 A C -0.043 177.522 177.584 -0.032 0.000 1.398 61 A CA 0.916 52.938 52.037 -0.025 0.000 0.726 61 A CB -1.521 17.493 19.000 0.023 0.000 1.179 61 A HN 0.333 nan 8.150 nan 0.000 0.327 62 R N 1.242 121.715 120.500 -0.045 0.000 2.486 62 R HA 0.513 4.853 4.340 -0.000 0.000 0.286 62 R C 0.136 176.400 176.300 -0.060 0.000 0.999 62 R CA -0.353 55.725 56.100 -0.038 0.000 0.993 62 R CB 1.094 31.377 30.300 -0.028 0.000 1.084 62 R HN 0.632 nan 8.270 nan 0.000 0.487 63 V N 6.682 126.570 119.914 -0.043 0.000 2.416 63 V HA -0.105 4.015 4.120 -0.000 0.000 0.267 63 V C 1.634 177.697 176.094 -0.051 0.000 1.007 63 V CA 0.200 62.470 62.300 -0.050 0.000 1.102 63 V CB 0.055 31.864 31.823 -0.024 0.000 1.035 63 V HN 0.743 nan 8.190 nan 0.000 0.473 64 L N 4.507 125.688 121.223 -0.071 0.000 1.976 64 L HA 0.018 4.358 4.340 -0.000 0.000 0.209 64 L C 1.014 177.856 176.870 -0.048 0.000 1.071 64 L CA 1.813 56.615 54.840 -0.062 0.000 0.746 64 L CB -0.122 41.889 42.059 -0.080 0.000 0.890 64 L HN 0.992 nan 8.230 nan 0.000 0.432 65 E N -1.279 118.891 120.200 -0.050 0.000 2.354 65 E HA 0.493 4.843 4.350 -0.000 0.000 0.283 65 E C -1.393 175.188 176.600 -0.032 0.000 0.938 65 E CA -0.744 55.634 56.400 -0.036 0.000 0.777 65 E CB 1.367 31.047 29.700 -0.034 0.000 1.222 65 E HN 0.243 nan 8.360 nan 0.000 0.423 66 D N 1.230 121.618 120.400 -0.021 0.000 2.779 66 D HA 0.521 5.161 4.640 -0.000 0.000 0.331 66 D C -1.005 175.291 176.300 -0.007 0.000 1.331 66 D CA -0.789 53.203 54.000 -0.014 0.000 0.866 66 D CB 1.427 42.221 40.800 -0.011 0.000 1.409 66 D HN 0.639 nan 8.370 nan 0.000 0.486 67 R N -0.980 119.519 120.500 -0.001 0.000 2.687 67 R HA 0.491 4.831 4.340 -0.000 0.000 0.265 67 R C -3.352 172.951 176.300 0.006 0.000 1.048 67 R CA -1.115 54.986 56.100 0.002 0.000 0.884 67 R CB -0.690 29.611 30.300 0.002 0.000 1.258 67 R HN 0.263 nan 8.270 nan 0.000 0.469 68 P HA 0.201 nan 4.420 nan 0.000 0.271 68 P C -0.336 176.972 177.300 0.013 0.000 1.244 68 P CA -0.427 62.679 63.100 0.011 0.000 0.793 68 P CB 0.398 32.103 31.700 0.009 0.000 0.984 69 L N 0.604 121.837 121.223 0.016 0.000 2.360 69 L HA 0.167 4.507 4.340 -0.000 0.000 0.276 69 L C 0.965 177.846 176.870 0.019 0.000 1.121 69 L CA -0.353 54.499 54.840 0.020 0.000 0.845 69 L CB 0.237 42.310 42.059 0.023 0.000 1.143 69 L HN 0.418 nan 8.230 nan 0.000 0.452 70 S N 1.676 117.388 115.700 0.021 0.000 2.680 70 S HA 0.040 4.510 4.470 -0.000 0.000 0.249 70 S C -0.016 174.594 174.600 0.015 0.000 1.358 70 S CA -0.386 57.824 58.200 0.017 0.000 0.963 70 S CB 0.911 64.122 63.200 0.018 0.000 0.984 70 S HN 0.713 nan 8.310 nan 0.000 0.584 71 D N -0.252 120.155 120.400 0.011 0.000 3.604 71 D HA 0.201 4.841 4.640 -0.000 0.000 0.169 71 D C -0.728 175.574 176.300 0.003 0.000 1.155 71 D CA -0.403 53.602 54.000 0.008 0.000 1.422 71 D CB -0.032 40.772 40.800 0.006 0.000 1.132 71 D HN 0.547 nan 8.370 nan 0.000 0.254 72 K N 0.378 120.778 120.400 0.001 0.000 2.466 72 K HA 0.250 4.570 4.320 -0.000 0.000 0.278 72 K C 0.796 177.393 176.600 -0.005 0.000 1.048 72 K CA 0.476 56.761 56.287 -0.004 0.000 1.088 72 K CB 0.491 32.989 32.500 -0.004 0.000 0.884 72 K HN 0.284 nan 8.250 nan 0.000 0.478 73 G N 2.404 111.198 108.800 -0.010 0.000 2.939 73 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.210 73 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.210 73 G C 0.006 174.900 174.900 -0.011 0.000 1.160 73 G CA -0.486 44.609 45.100 -0.009 0.000 0.770 73 G HN 0.599 nan 8.290 nan 0.000 0.543 74 S N 0.723 116.415 115.700 -0.013 0.000 3.812 74 S HA 0.526 4.996 4.470 -0.000 0.000 0.195 74 S C 1.109 175.701 174.600 -0.013 0.000 1.460 74 S CA 0.120 58.311 58.200 -0.016 0.000 1.052 74 S CB 0.393 63.580 63.200 -0.021 0.000 1.385 74 S HN 0.591 nan 8.310 nan 0.000 0.490 75 G N 1.528 110.322 108.800 -0.010 0.000 4.137 75 G HA2 0.048 4.008 3.960 -0.000 0.000 0.194 75 G HA3 0.048 4.008 3.960 -0.000 0.000 0.194 75 G C -0.774 174.123 174.900 -0.005 0.000 0.891 75 G CA -0.228 44.867 45.100 -0.008 0.000 0.946 75 G HN 0.570 nan 8.290 nan 0.000 0.332 76 D N 0.909 121.307 120.400 -0.003 0.000 2.584 76 D HA 0.266 4.906 4.640 -0.000 0.000 0.238 76 D C -0.400 175.901 176.300 0.001 0.000 1.302 76 D CA 0.042 54.041 54.000 -0.001 0.000 0.884 76 D CB 0.611 41.410 40.800 -0.000 0.000 1.456 76 D HN 0.290 nan 8.370 nan 0.000 0.528 77 S N 1.025 116.726 115.700 0.001 0.000 2.488 77 S HA 0.291 4.761 4.470 -0.000 0.000 0.278 77 S C 0.979 175.582 174.600 0.005 0.000 1.259 77 S CA 0.527 58.730 58.200 0.004 0.000 1.061 77 S CB 0.956 64.158 63.200 0.004 0.000 0.910 77 S HN 0.470 nan 8.310 nan 0.000 0.491 78 S N 4.308 120.012 115.700 0.007 0.000 3.036 78 S HA 0.339 4.809 4.470 -0.000 0.000 0.194 78 S C 0.142 174.747 174.600 0.008 0.000 0.797 78 S CA -0.535 57.668 58.200 0.006 0.000 0.822 78 S CB -0.171 63.033 63.200 0.005 0.000 0.810 78 S HN 0.766 nan 8.310 nan 0.000 0.629 79 Q N 0.948 120.754 119.800 0.010 0.000 3.712 79 Q HA 0.411 4.751 4.340 -0.000 0.000 0.242 79 Q C -1.651 174.358 176.000 0.015 0.000 0.837 79 Q CA -0.154 55.656 55.803 0.012 0.000 0.826 79 Q CB 1.950 30.694 28.738 0.009 0.000 1.529 79 Q HN 0.392 nan 8.270 nan 0.000 0.405 80 V N 1.917 121.843 119.914 0.019 0.000 2.508 80 V HA 0.358 4.478 4.120 -0.000 0.000 0.281 80 V C 0.081 176.196 176.094 0.035 0.000 1.041 80 V CA 0.511 62.825 62.300 0.024 0.000 1.016 80 V CB 1.094 32.931 31.823 0.023 0.000 0.984 80 V HN 0.597 nan 8.190 nan 0.000 0.478 81 T N 4.210 118.784 114.554 0.033 0.000 2.824 81 T HA 0.508 4.858 4.350 -0.000 0.000 0.280 81 T C 0.075 174.803 174.700 0.047 0.000 0.995 81 T CA -0.529 61.594 62.100 0.039 0.000 1.009 81 T CB 1.570 70.453 68.868 0.024 0.000 0.955 81 T HN 0.835 nan 8.240 nan 0.000 0.452 82 Q N 1.014 120.852 119.800 0.063 0.000 2.110 82 Q HA 0.456 4.796 4.340 -0.000 0.000 0.232 82 Q C -0.210 175.793 176.000 0.006 0.000 0.810 82 Q CA -0.699 55.143 55.803 0.066 0.000 1.083 82 Q CB 0.366 29.200 28.738 0.161 0.000 1.193 82 Q HN 0.651 nan 8.270 nan 0.000 0.471 83 V N -2.887 117.026 119.914 -0.002 0.000 2.808 83 V HA 0.622 4.742 4.120 -0.000 0.000 0.308 83 V C -0.240 175.856 176.094 0.003 0.000 1.099 83 V CA -0.773 61.514 62.300 -0.022 0.000 0.920 83 V CB 1.837 33.632 31.823 -0.048 0.000 1.014 83 V HN 0.147 nan 8.190 nan 0.000 0.425 84 S N 3.254 118.964 115.700 0.017 0.000 2.617 84 S HA 0.425 4.895 4.470 -0.000 0.000 0.259 84 S C -2.342 172.273 174.600 0.025 0.000 1.301 84 S CA -0.526 57.691 58.200 0.028 0.000 0.984 84 S CB 0.214 63.443 63.200 0.047 0.000 0.954 84 S HN 0.878 nan 8.310 nan 0.000 0.572 85 P HA -0.129 nan 4.420 nan 0.000 0.158 85 P C -0.149 177.136 177.300 -0.026 0.000 0.792 85 P CA 0.670 63.769 63.100 -0.002 0.000 1.125 85 P CB -0.255 31.449 31.700 0.007 0.000 1.321 86 Q N 1.266 121.049 119.800 -0.029 0.000 2.297 86 Q HA -0.119 4.221 4.340 -0.000 0.000 0.208 86 Q C 0.920 176.877 176.000 -0.071 0.000 0.981 86 Q CA 1.397 57.177 55.803 -0.040 0.000 0.876 86 Q CB -0.021 28.701 28.738 -0.027 0.000 0.921 86 Q HN 0.408 nan 8.270 nan 0.000 0.446 87 R N 0.314 120.762 120.500 -0.087 0.000 2.584 87 R HA 0.576 4.916 4.340 -0.000 0.000 0.276 87 R C -1.735 174.477 176.300 -0.146 0.000 1.046 87 R CA -0.593 55.434 56.100 -0.121 0.000 0.906 87 R CB 1.112 31.356 30.300 -0.093 0.000 1.215 87 R HN 0.202 nan 8.270 nan 0.000 0.449 88 I N 0.202 120.646 120.570 -0.210 0.000 2.827 88 I HA 0.695 4.865 4.170 -0.000 0.000 0.298 88 I C -1.130 174.846 176.117 -0.235 0.000 1.235 88 I CA -1.151 60.010 61.300 -0.232 0.000 1.021 88 I CB 2.492 40.285 38.000 -0.346 0.000 1.259 88 I HN 0.649 nan 8.210 nan 0.000 0.427 89 A N 5.282 127.998 122.820 -0.174 0.000 2.252 89 A HA 0.680 5.000 4.320 -0.000 0.000 0.309 89 A C -0.813 176.691 177.584 -0.133 0.000 1.285 89 A CA -0.406 51.549 52.037 -0.137 0.000 0.900 89 A CB 0.798 19.745 19.000 -0.088 0.000 1.157 89 A HN 0.716 nan 8.150 nan 0.000 0.536 90 L N 3.928 125.077 121.223 -0.125 0.000 2.287 90 L HA 0.386 4.726 4.340 -0.000 0.000 0.280 90 L C 0.187 177.066 176.870 0.016 0.000 1.055 90 L CA 0.090 54.890 54.840 -0.068 0.000 0.863 90 L CB 0.268 42.286 42.059 -0.068 0.000 1.245 90 L HN 0.681 nan 8.230 nan 0.000 0.432 91 R N 5.294 125.802 120.500 0.012 0.000 2.229 91 R HA 0.673 5.013 4.340 -0.000 0.000 0.328 91 R C -1.398 174.920 176.300 0.029 0.000 1.009 91 R CA -0.706 55.412 56.100 0.031 0.000 0.864 91 R CB 0.927 31.228 30.300 0.002 0.000 1.085 91 R HN 0.550 nan 8.270 nan 0.000 0.453 92 L N 0.323 121.572 121.223 0.044 0.000 2.482 92 L HA 0.575 4.915 4.340 -0.000 0.000 0.263 92 L C -0.350 176.469 176.870 -0.084 0.000 0.957 92 L CA -1.214 53.620 54.840 -0.011 0.000 0.836 92 L CB 1.433 43.501 42.059 0.015 0.000 1.324 92 L HN 0.508 nan 8.230 nan 0.000 0.406 93 R N 1.136 121.570 120.500 -0.110 0.000 2.583 93 R HA 0.664 5.004 4.340 -0.000 0.000 0.268 93 R C -2.340 173.847 176.300 -0.189 0.000 1.101 93 R CA -1.616 54.398 56.100 -0.143 0.000 1.180 93 R CB -0.137 30.093 30.300 -0.116 0.000 1.128 93 R HN 0.549 nan 8.270 nan 0.000 0.568 94 P HA -0.099 nan 4.420 nan 0.000 0.260 94 P C -0.799 176.424 177.300 -0.128 0.000 1.172 94 P CA 0.794 63.778 63.100 -0.194 0.000 0.760 94 P CB 0.183 31.800 31.700 -0.138 0.000 0.773 95 D N -1.302 119.019 120.400 -0.131 0.000 3.006 95 D HA -0.215 4.425 4.640 -0.000 0.000 0.208 95 D C 0.304 176.568 176.300 -0.060 0.000 1.116 95 D CA 1.816 55.768 54.000 -0.079 0.000 0.998 95 D CB -1.287 39.482 40.800 -0.051 0.000 1.124 95 D HN 0.485 nan 8.370 nan 0.000 0.413 96 D N -0.744 119.613 120.400 -0.072 0.000 2.398 96 D HA 0.545 5.185 4.640 -0.000 0.000 0.247 96 D C -0.294 175.986 176.300 -0.033 0.000 1.227 96 D CA 0.067 54.039 54.000 -0.047 0.000 0.980 96 D CB 0.855 41.622 40.800 -0.056 0.000 1.106 96 D HN -0.007 nan 8.370 nan 0.000 0.493 97 S N 0.113 115.803 115.700 -0.017 0.000 2.570 97 S HA 0.671 5.141 4.470 -0.000 0.000 0.286 97 S C -1.108 173.499 174.600 0.012 0.000 1.099 97 S CA -0.742 57.455 58.200 -0.004 0.000 0.913 97 S CB 1.908 65.098 63.200 -0.016 0.000 1.085 97 S HN 0.378 nan 8.310 nan 0.000 0.480 98 K N 2.475 122.897 120.400 0.037 0.000 2.550 98 K HA 0.380 4.700 4.320 -0.000 0.000 0.252 98 K C -1.603 175.046 176.600 0.080 0.000 0.943 98 K CA -0.567 55.762 56.287 0.071 0.000 0.806 98 K CB 0.938 33.503 32.500 0.108 0.000 1.289 98 K HN 0.757 nan 8.250 nan 0.000 0.435 99 N N 3.081 121.803 118.700 0.037 0.000 2.430 99 N HA 0.625 5.365 4.740 -0.000 0.000 0.298 99 N C -0.710 174.840 175.510 0.066 0.000 1.130 99 N CA -0.366 52.631 53.050 -0.089 0.000 0.894 99 N CB 1.163 39.583 38.487 -0.112 0.000 1.209 99 N HN 0.406 nan 8.380 nan 0.000 0.503 100 F N -2.410 117.534 119.950 -0.010 0.000 2.662 100 F HA 0.638 5.165 4.527 -0.000 0.000 0.312 100 F C -0.110 175.701 175.800 0.018 0.000 1.113 100 F CA -1.241 56.760 58.000 0.001 0.000 0.951 100 F CB 1.243 40.241 39.000 -0.003 0.000 1.344 100 F HN 0.469 nan 8.300 nan 0.000 0.462 101 S N 1.149 117.002 115.700 0.255 0.000 2.722 101 S HA 0.864 5.334 4.470 -0.000 0.000 0.292 101 S C -1.008 173.725 174.600 0.223 0.000 1.135 101 S CA -0.578 57.725 58.200 0.171 0.000 1.003 101 S CB 1.244 64.510 63.200 0.109 0.000 1.067 101 S HN 0.934 nan 8.310 nan 0.000 0.546 102 I N 1.134 121.814 120.570 0.184 0.000 2.739 102 I HA 0.269 4.439 4.170 -0.000 0.000 0.288 102 I C -2.139 174.087 176.117 0.183 0.000 1.582 102 I CA -0.255 61.154 61.300 0.183 0.000 1.035 102 I CB 1.694 39.826 38.000 0.221 0.000 1.432 102 I HN 0.734 nan 8.210 nan 0.000 0.444 103 Q N 5.744 125.618 119.800 0.124 0.000 2.323 103 Q HA 0.698 5.038 4.340 -0.000 0.000 0.271 103 Q C -1.547 174.494 176.000 0.067 0.000 1.048 103 Q CA -0.804 55.057 55.803 0.097 0.000 0.792 103 Q CB 3.370 32.138 28.738 0.050 0.000 1.280 103 Q HN 0.438 nan 8.270 nan 0.000 0.441 104 V N 1.828 121.782 119.914 0.067 0.000 2.715 104 V HA 0.663 4.783 4.120 -0.000 0.000 0.310 104 V C -0.488 175.606 176.094 0.000 0.000 1.054 104 V CA -0.829 61.457 62.300 -0.023 0.000 0.928 104 V CB 2.004 33.766 31.823 -0.101 0.000 1.007 104 V HN 0.692 nan 8.190 nan 0.000 0.437 105 R N 2.293 122.797 120.500 0.008 0.000 2.522 105 R HA 0.429 4.769 4.340 -0.000 0.000 0.283 105 R C -1.167 175.238 176.300 0.175 0.000 1.074 105 R CA -0.743 55.402 56.100 0.075 0.000 0.925 105 R CB 1.790 32.122 30.300 0.052 0.000 1.205 105 R HN 0.706 nan 8.270 nan 0.000 0.436 106 Q N 3.879 123.800 119.800 0.202 0.000 2.534 106 Q HA 0.133 4.473 4.340 -0.000 0.000 0.223 106 Q C -0.468 175.563 176.000 0.050 0.000 1.239 106 Q CA 0.141 56.074 55.803 0.217 0.000 0.936 106 Q CB 1.092 29.936 28.738 0.178 0.000 1.457 106 Q HN 0.545 nan 8.270 nan 0.000 0.547 107 V N 2.813 122.763 119.914 0.061 0.000 3.431 107 V HA 0.179 4.299 4.120 -0.000 0.000 0.253 107 V C 0.301 176.368 176.094 -0.045 0.000 1.184 107 V CA 0.374 62.676 62.300 0.003 0.000 1.104 107 V CB 0.424 32.266 31.823 0.032 0.000 0.799 107 V HN 0.578 nan 8.190 nan 0.000 0.462 108 E N 1.408 121.576 120.200 -0.053 0.000 2.373 108 E HA 0.170 4.520 4.350 -0.000 0.000 0.263 108 E C -0.673 175.822 176.600 -0.176 0.000 1.073 108 E CA -0.183 56.169 56.400 -0.081 0.000 0.894 108 E CB 0.725 30.391 29.700 -0.058 0.000 1.008 108 E HN 0.388 nan 8.360 nan 0.000 0.420 109 D N 1.511 121.847 120.400 -0.106 0.000 2.389 109 D HA 0.024 4.664 4.640 -0.000 0.000 0.247 109 D C -0.251 176.033 176.300 -0.027 0.000 1.128 109 D CA 0.192 54.144 54.000 -0.080 0.000 0.884 109 D CB 0.160 40.968 40.800 0.014 0.000 1.194 109 D HN 0.187 nan 8.370 nan 0.000 0.441 110 Y N 1.520 121.880 120.300 0.099 0.000 2.511 110 Y HA 0.176 4.726 4.550 -0.000 0.000 0.332 110 Y C -1.643 174.303 175.900 0.078 0.000 1.177 110 Y CA -2.020 56.097 58.100 0.028 0.000 1.422 110 Y CB -0.192 38.219 38.460 -0.082 0.000 1.271 110 Y HN 0.118 nan 8.280 nan 0.000 0.550 111 P HA 0.189 nan 4.420 nan 0.000 0.276 111 P C -1.143 176.233 177.300 0.127 0.000 1.235 111 P CA -0.040 63.134 63.100 0.124 0.000 0.772 111 P CB 0.851 32.593 31.700 0.070 0.000 0.871 112 V N 3.842 123.841 119.914 0.142 0.000 2.577 112 V HA 0.321 4.441 4.120 -0.000 0.000 0.303 112 V C -0.525 175.674 176.094 0.175 0.000 1.042 112 V CA -0.512 61.881 62.300 0.155 0.000 0.872 112 V CB 2.229 34.160 31.823 0.179 0.000 0.998 112 V HN 0.398 nan 8.190 nan 0.000 0.423 113 D N 4.575 125.141 120.400 0.277 0.000 2.303 113 D HA 0.585 5.225 4.640 -0.000 0.000 0.236 113 D C -0.602 175.947 176.300 0.415 0.000 1.068 113 D CA 0.019 54.249 54.000 0.384 0.000 0.830 113 D CB 2.129 43.372 40.800 0.739 0.000 1.109 113 D HN 0.361 nan 8.370 nan 0.000 0.496 114 I N 2.977 123.696 120.570 0.248 0.000 2.439 114 I HA 0.177 4.347 4.170 -0.000 0.000 0.283 114 I C -1.122 175.142 176.117 0.245 0.000 1.023 114 I CA -0.963 60.487 61.300 0.250 0.000 1.100 114 I CB 1.472 39.534 38.000 0.102 0.000 1.238 114 I HN 0.223 nan 8.210 nan 0.000 0.445 115 Y N 7.251 127.685 120.300 0.223 0.000 2.328 115 Y HA 0.368 4.918 4.550 -0.000 0.000 0.337 115 Y C -0.895 175.255 175.900 0.417 0.000 0.966 115 Y CA -0.609 57.617 58.100 0.211 0.000 1.136 115 Y CB 0.896 39.380 38.460 0.039 0.000 1.170 115 Y HN 0.407 nan 8.280 nan 0.000 0.470 116 Y N 6.450 126.700 120.300 -0.083 0.000 2.316 116 Y HA 0.464 5.014 4.550 -0.000 0.000 0.331 116 Y C -1.409 174.524 175.900 0.055 0.000 1.083 116 Y CA -1.099 57.042 58.100 0.067 0.000 1.206 116 Y CB 0.875 39.418 38.460 0.140 0.000 1.195 116 Y HN 0.588 nan 8.280 nan 0.000 0.497 117 L N 7.471 128.670 121.223 -0.039 0.000 2.324 117 L HA 0.457 4.797 4.340 -0.000 0.000 0.274 117 L C -0.934 175.856 176.870 -0.134 0.000 1.012 117 L CA -0.476 54.443 54.840 0.132 0.000 0.859 117 L CB 0.608 42.955 42.059 0.479 0.000 1.224 117 L HN 0.655 nan 8.230 nan 0.000 0.429 118 M N 2.983 122.497 119.600 -0.143 0.000 2.188 118 M HA 0.261 4.741 4.480 -0.000 0.000 0.357 118 M C -0.213 175.784 176.300 -0.505 0.000 1.204 118 M CA -0.379 54.734 55.300 -0.311 0.000 1.095 118 M CB 1.053 33.535 32.600 -0.196 0.000 1.604 118 M HN 0.378 nan 8.290 nan 0.000 0.464 119 D N 3.430 123.412 120.400 -0.698 0.000 2.339 119 D HA 0.173 4.813 4.640 -0.000 0.000 0.241 119 D C -0.648 175.319 176.300 -0.555 0.000 1.183 119 D CA -0.204 53.148 54.000 -1.080 0.000 0.859 119 D CB 0.924 41.340 40.800 -0.641 0.000 1.067 119 D HN 0.383 nan 8.370 nan 0.000 0.484 120 L N 3.448 124.378 121.223 -0.488 0.000 2.984 120 L HA 0.145 4.485 4.340 -0.000 0.000 0.246 120 L C 0.591 177.350 176.870 -0.185 0.000 1.268 120 L CA -0.162 54.547 54.840 -0.218 0.000 1.054 120 L CB -0.442 41.600 42.059 -0.028 0.000 1.393 120 L HN 0.293 nan 8.230 nan 0.000 0.532 121 S N -2.730 112.848 115.700 -0.203 0.000 2.632 121 S HA 0.092 4.562 4.470 -0.000 0.000 0.267 121 S C 1.152 175.747 174.600 -0.008 0.000 1.276 121 S CA -0.352 57.798 58.200 -0.083 0.000 0.998 121 S CB 0.497 63.661 63.200 -0.059 0.000 0.953 121 S HN 0.266 nan 8.310 nan 0.000 0.547 122 Y N 1.864 122.145 120.300 -0.030 0.000 2.384 122 Y HA -0.157 4.394 4.550 -0.000 0.000 0.289 122 Y C 2.497 178.392 175.900 -0.008 0.000 1.152 122 Y CA 1.844 59.940 58.100 -0.008 0.000 1.258 122 Y CB -0.463 38.008 38.460 0.019 0.000 0.979 122 Y HN 0.837 nan 8.280 nan 0.000 0.549 123 S N -1.531 114.198 115.700 0.049 0.000 2.561 123 S HA -0.079 4.391 4.470 -0.000 0.000 0.225 123 S C 1.530 176.082 174.600 -0.080 0.000 0.977 123 S CA 0.629 58.831 58.200 0.002 0.000 0.926 123 S CB -0.212 63.011 63.200 0.038 0.000 0.769 123 S HN 0.340 nan 8.310 nan 0.000 0.533 124 M N 1.017 120.544 119.600 -0.121 0.000 2.502 124 M HA 0.290 4.770 4.480 -0.000 0.000 0.243 124 M C 1.860 178.070 176.300 -0.150 0.000 1.130 124 M CA 0.290 55.514 55.300 -0.128 0.000 1.055 124 M CB -0.723 31.790 32.600 -0.145 0.000 1.457 124 M HN 0.402 nan 8.290 nan 0.000 0.488 125 K N 1.670 121.918 120.400 -0.253 0.000 2.000 125 K HA -0.221 4.099 4.320 -0.000 0.000 0.218 125 K C 1.128 177.639 176.600 -0.150 0.000 1.053 125 K CA 2.238 58.356 56.287 -0.281 0.000 0.946 125 K CB -0.165 31.993 32.500 -0.570 0.000 0.723 125 K HN 0.392 nan 8.250 nan 0.000 0.446 126 D N -0.473 119.849 120.400 -0.130 0.000 2.352 126 D HA -0.112 4.528 4.640 -0.000 0.000 0.232 126 D C 0.246 176.542 176.300 -0.006 0.000 1.055 126 D CA 0.670 54.637 54.000 -0.055 0.000 0.891 126 D CB 0.083 40.854 40.800 -0.048 0.000 0.897 126 D HN 0.220 nan 8.370 nan 0.000 0.529 127 D N -0.155 120.235 120.400 -0.018 0.000 2.474 127 D HA 0.006 4.646 4.640 -0.000 0.000 0.213 127 D C 1.932 178.243 176.300 0.018 0.000 1.120 127 D CA -0.341 53.666 54.000 0.011 0.000 0.836 127 D CB 0.401 41.186 40.800 -0.026 0.000 1.019 127 D HN 0.086 nan 8.370 nan 0.000 0.507 128 L N 0.263 121.487 121.223 0.003 0.000 2.043 128 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 128 L C 2.022 178.908 176.870 0.027 0.000 1.075 128 L CA 1.722 56.559 54.840 -0.005 0.000 0.752 128 L CB -0.541 41.512 42.059 -0.010 0.000 0.891 128 L HN 0.153 nan 8.230 nan 0.000 0.432 129 W N -0.377 120.893 121.300 -0.051 0.000 2.381 129 W HA -0.185 4.475 4.660 -0.000 0.000 0.301 129 W C 2.675 179.176 176.519 -0.029 0.000 1.205 129 W CA 1.939 59.259 57.345 -0.041 0.000 1.285 129 W CB -0.358 29.080 29.460 -0.037 0.000 1.133 129 W HN 0.092 nan 8.180 nan 0.000 0.521 130 S N 0.804 116.561 115.700 0.094 0.000 2.383 130 S HA -0.245 4.225 4.470 -0.000 0.000 0.229 130 S C 1.861 176.371 174.600 -0.150 0.000 1.030 130 S CA 1.890 60.072 58.200 -0.031 0.000 1.002 130 S CB -0.822 62.437 63.200 0.098 0.000 0.829 130 S HN 0.537 nan 8.310 nan 0.000 0.467 131 I N -0.593 119.921 120.570 -0.094 0.000 2.716 131 I HA -0.031 4.139 4.170 -0.000 0.000 0.259 131 I C 2.122 178.198 176.117 -0.068 0.000 1.172 131 I CA 1.010 62.299 61.300 -0.019 0.000 1.478 131 I CB -0.455 37.531 38.000 -0.024 0.000 1.104 131 I HN 0.158 nan 8.210 nan 0.000 0.439 132 Q N 1.361 121.021 119.800 -0.233 0.000 2.123 132 Q HA -0.179 4.161 4.340 -0.000 0.000 0.199 132 Q C 1.959 177.695 176.000 -0.441 0.000 0.966 132 Q CA 1.875 57.485 55.803 -0.322 0.000 0.845 132 Q CB -0.218 28.317 28.738 -0.338 0.000 0.907 132 Q HN 0.606 nan 8.270 nan 0.000 0.439 133 N N 0.886 119.192 118.700 -0.657 0.000 2.062 133 N HA -0.170 4.570 4.740 -0.000 0.000 0.191 133 N C 1.596 176.881 175.510 -0.375 0.000 1.042 133 N CA 0.806 53.454 53.050 -0.670 0.000 0.845 133 N CB -0.264 37.580 38.487 -1.072 0.000 1.024 133 N HN 0.146 nan 8.380 nan 0.000 0.424 134 L N 0.192 121.242 121.223 -0.288 0.000 2.261 134 L HA 0.057 4.397 4.340 -0.000 0.000 0.216 134 L C 1.870 178.543 176.870 -0.329 0.000 1.114 134 L CA 1.941 56.663 54.840 -0.196 0.000 0.777 134 L CB -0.982 41.044 42.059 -0.056 0.000 0.910 134 L HN 0.305 nan 8.230 nan 0.000 0.440 135 G N -2.193 106.363 108.800 -0.407 0.000 2.395 135 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.214 135 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.214 135 G C 1.421 176.222 174.900 -0.165 0.000 1.177 135 G CA 0.874 45.621 45.100 -0.587 0.000 0.794 135 G HN 0.396 nan 8.290 nan 0.000 0.532 136 T N 0.391 114.856 114.554 -0.149 0.000 2.851 136 T HA -0.009 4.341 4.350 -0.000 0.000 0.262 136 T C 2.280 176.919 174.700 -0.101 0.000 1.043 136 T CA 1.337 63.405 62.100 -0.053 0.000 1.140 136 T CB -0.072 68.731 68.868 -0.108 0.000 0.872 136 T HN 0.192 nan 8.240 nan 0.000 0.446 137 K N 0.711 121.023 120.400 -0.146 0.000 2.442 137 K HA 0.104 4.424 4.320 -0.000 0.000 0.198 137 K C 1.722 178.245 176.600 -0.127 0.000 1.042 137 K CA 0.336 56.549 56.287 -0.123 0.000 0.958 137 K CB -0.367 32.058 32.500 -0.125 0.000 0.766 137 K HN 0.130 nan 8.250 nan 0.000 0.474 138 L N -0.415 120.707 121.223 -0.169 0.000 2.068 138 L HA 0.136 4.476 4.340 -0.000 0.000 0.204 138 L C 1.929 178.690 176.870 -0.181 0.000 1.076 138 L CA 1.725 56.457 54.840 -0.180 0.000 0.753 138 L CB -0.778 41.122 42.059 -0.265 0.000 0.910 138 L HN 0.159 nan 8.230 nan 0.000 0.439 139 A N -1.921 120.763 122.820 -0.226 0.000 2.019 139 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 139 A C 2.237 179.727 177.584 -0.157 0.000 1.164 139 A CA 2.058 53.948 52.037 -0.245 0.000 0.644 139 A CB -0.952 17.849 19.000 -0.332 0.000 0.805 139 A HN 0.465 nan 8.150 nan 0.000 0.449 140 T N -0.711 113.770 114.554 -0.123 0.000 2.777 140 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 140 T C 2.122 176.767 174.700 -0.091 0.000 1.040 140 T CA 1.742 63.786 62.100 -0.092 0.000 1.141 140 T CB -0.177 68.648 68.868 -0.072 0.000 0.868 140 T HN 0.569 nan 8.240 nan 0.000 0.444 141 Q N 0.243 119.986 119.800 -0.095 0.000 2.124 141 Q HA 0.030 4.370 4.340 -0.000 0.000 0.202 141 Q C 2.003 177.934 176.000 -0.116 0.000 0.977 141 Q CA 1.365 57.114 55.803 -0.090 0.000 0.850 141 Q CB -0.225 28.468 28.738 -0.075 0.000 0.901 141 Q HN 0.294 nan 8.270 nan 0.000 0.429 142 M N -0.885 118.639 119.600 -0.126 0.000 2.388 142 M HA 0.064 4.544 4.480 -0.000 0.000 0.265 142 M C 1.881 178.091 176.300 -0.150 0.000 1.088 142 M CA 0.886 56.097 55.300 -0.149 0.000 1.134 142 M CB -0.407 32.123 32.600 -0.117 0.000 1.384 142 M HN 0.093 nan 8.290 nan 0.000 0.447 143 R N 1.256 121.683 120.500 -0.122 0.000 2.092 143 R HA -0.035 4.305 4.340 -0.000 0.000 0.231 143 R C 1.183 177.423 176.300 -0.100 0.000 1.119 143 R CA 1.351 57.390 56.100 -0.101 0.000 0.970 143 R CB -0.211 30.037 30.300 -0.086 0.000 0.864 143 R HN 0.234 nan 8.270 nan 0.000 0.440 144 K N -0.391 119.946 120.400 -0.104 0.000 2.589 144 K HA 0.065 4.385 4.320 -0.000 0.000 0.204 144 K C 0.179 176.701 176.600 -0.130 0.000 1.029 144 K CA 0.082 56.312 56.287 -0.094 0.000 1.177 144 K CB 0.327 32.782 32.500 -0.074 0.000 0.902 144 K HN 0.058 nan 8.250 nan 0.000 0.501 145 L N -1.246 119.861 121.223 -0.194 0.000 3.679 145 L HA 0.166 4.506 4.340 -0.000 0.000 0.342 145 L C -0.715 175.924 176.870 -0.386 0.000 1.170 145 L CA 0.539 55.181 54.840 -0.329 0.000 1.221 145 L CB 1.728 43.500 42.059 -0.478 0.000 1.654 145 L HN -0.011 nan 8.230 nan 0.000 0.628 146 T N -1.879 112.544 114.554 -0.217 0.000 3.802 146 T HA 0.203 4.553 4.350 -0.000 0.000 0.397 146 T C 0.555 175.225 174.700 -0.051 0.000 1.404 146 T CA 0.269 62.314 62.100 -0.091 0.000 1.151 146 T CB 0.473 69.335 68.868 -0.011 0.000 1.329 146 T HN 0.120 nan 8.240 nan 0.000 0.474 147 S N 3.443 119.130 115.700 -0.023 0.000 2.496 147 S HA 0.116 4.586 4.470 -0.000 0.000 0.224 147 S C 0.822 175.420 174.600 -0.002 0.000 0.996 147 S CA 0.175 58.364 58.200 -0.019 0.000 0.927 147 S CB -0.194 62.996 63.200 -0.016 0.000 0.774 147 S HN 0.583 nan 8.310 nan 0.000 0.524 148 N N 1.639 120.351 118.700 0.020 0.000 2.868 148 N HA 0.465 5.205 4.740 -0.000 0.000 0.252 148 N C -1.182 174.357 175.510 0.048 0.000 1.130 148 N CA -0.365 52.707 53.050 0.036 0.000 1.026 148 N CB 0.118 38.636 38.487 0.052 0.000 1.335 148 N HN 0.462 nan 8.380 nan 0.000 0.516 149 L N 1.862 123.099 121.223 0.022 0.000 2.409 149 L HA 0.673 5.013 4.340 -0.000 0.000 0.262 149 L C -1.214 175.659 176.870 0.004 0.000 0.992 149 L CA -0.583 54.267 54.840 0.016 0.000 0.817 149 L CB 1.627 43.671 42.059 -0.025 0.000 1.350 149 L HN 0.130 nan 8.230 nan 0.000 0.411 150 R N 4.345 124.853 120.500 0.015 0.000 2.744 150 R HA 0.696 5.036 4.340 -0.000 0.000 0.279 150 R C -1.593 174.690 176.300 -0.027 0.000 0.977 150 R CA -0.617 55.486 56.100 0.005 0.000 0.906 150 R CB 2.029 32.355 30.300 0.044 0.000 1.197 150 R HN 0.838 nan 8.270 nan 0.000 0.463 151 I N -0.112 120.419 120.570 -0.066 0.000 2.775 151 I HA 0.704 4.874 4.170 -0.000 0.000 0.295 151 I C -0.916 175.217 176.117 0.026 0.000 1.287 151 I CA -0.330 60.893 61.300 -0.128 0.000 1.029 151 I CB 2.496 40.212 38.000 -0.474 0.000 1.282 151 I HN 0.711 nan 8.210 nan 0.000 0.426 152 G N 4.802 113.708 108.800 0.178 0.000 2.649 152 G HA2 0.726 4.686 3.960 -0.000 0.000 0.290 152 G HA3 0.726 4.686 3.960 -0.000 0.000 0.290 152 G C -1.864 173.180 174.900 0.240 0.000 1.426 152 G CA -0.501 44.807 45.100 0.347 0.000 0.794 152 G HN 0.749 nan 8.290 nan 0.000 0.483 153 F N -1.672 118.127 119.950 -0.252 0.000 2.711 153 F HA 0.926 5.453 4.527 -0.000 0.000 0.313 153 F C -0.192 175.316 175.800 -0.486 0.000 1.141 153 F CA -0.912 56.730 58.000 -0.597 0.000 0.941 153 F CB 1.481 40.402 39.000 -0.132 0.000 1.349 153 F HN 1.162 nan 8.300 nan 0.000 0.464 154 G N -0.092 108.465 108.800 -0.405 0.000 2.692 154 G HA2 0.856 4.816 3.960 -0.000 0.000 0.291 154 G HA3 0.856 4.816 3.960 -0.000 0.000 0.291 154 G C -2.301 172.667 174.900 0.114 0.000 1.423 154 G CA -0.449 44.531 45.100 -0.199 0.000 0.843 154 G HN 1.341 nan 8.290 nan 0.000 0.486 155 A N -0.605 122.288 122.820 0.121 0.000 2.435 155 A HA 1.031 5.351 4.320 -0.000 0.000 0.296 155 A C -1.053 176.919 177.584 0.647 0.000 1.147 155 A CA -0.750 51.469 52.037 0.304 0.000 0.775 155 A CB 1.518 20.649 19.000 0.219 0.000 1.340 155 A HN 2.024 nan 8.150 nan 0.000 0.427 156 F N -2.364 117.876 119.950 0.485 0.000 2.711 156 F HA 0.755 5.282 4.527 -0.000 0.000 0.313 156 F C -0.546 175.292 175.800 0.063 0.000 1.141 156 F CA -0.703 57.567 58.000 0.449 0.000 0.941 156 F CB 0.776 40.041 39.000 0.442 0.000 1.349 156 F HN 0.381 nan 8.300 nan 0.000 0.464 157 V N -1.128 118.845 119.914 0.097 0.000 4.178 157 V HA 0.428 4.548 4.120 -0.000 0.000 0.173 157 V C -1.073 175.135 176.094 0.189 0.000 1.265 157 V CA 0.591 62.837 62.300 -0.090 0.000 1.269 157 V CB 0.678 32.255 31.823 -0.410 0.000 1.466 157 V HN 0.897 nan 8.190 nan 0.000 0.573 158 D N -0.936 119.551 120.400 0.145 0.000 2.807 158 D HA 0.231 4.871 4.640 -0.000 0.000 0.279 158 D C -1.550 174.832 176.300 0.136 0.000 1.247 158 D CA -0.585 53.517 54.000 0.170 0.000 0.749 158 D CB 1.573 42.433 40.800 0.098 0.000 1.264 158 D HN 0.085 nan 8.370 nan 0.000 0.421 159 K N 1.371 121.819 120.400 0.079 0.000 2.436 159 K HA 0.215 4.535 4.320 -0.000 0.000 0.282 159 K C -2.074 174.604 176.600 0.131 0.000 1.044 159 K CA -0.968 55.359 56.287 0.066 0.000 1.028 159 K CB 0.353 32.830 32.500 -0.040 0.000 0.919 159 K HN 0.015 nan 8.250 nan 0.000 0.474 160 P HA 0.018 nan 4.420 nan 0.000 0.231 160 P C -1.139 176.206 177.300 0.074 0.000 1.756 160 P CA 0.121 63.272 63.100 0.086 0.000 0.990 160 P CB 0.185 31.922 31.700 0.062 0.000 1.973 161 V N -0.806 119.181 119.914 0.121 0.000 3.087 161 V HA 0.343 4.463 4.120 -0.000 0.000 0.306 161 V C 0.227 176.326 176.094 0.009 0.000 1.187 161 V CA -0.919 61.418 62.300 0.061 0.000 0.999 161 V CB 2.206 34.064 31.823 0.058 0.000 1.049 161 V HN 0.014 nan 8.190 nan 0.000 0.431 162 S N 2.840 118.499 115.700 -0.069 0.000 2.564 162 S HA 0.309 4.779 4.470 -0.000 0.000 0.278 162 S C -1.286 173.144 174.600 -0.283 0.000 1.333 162 S CA -0.757 57.356 58.200 -0.145 0.000 1.048 162 S CB 1.065 64.203 63.200 -0.104 0.000 0.900 162 S HN 0.759 nan 8.310 nan 0.000 0.505 163 P HA 0.058 nan 4.420 nan 0.000 0.255 163 P C 0.309 177.431 177.300 -0.297 0.000 1.248 163 P CA 0.367 63.269 63.100 -0.329 0.000 0.807 163 P CB 0.020 31.540 31.700 -0.299 0.000 1.150 164 Y N 0.155 120.411 120.300 -0.072 0.000 2.145 164 Y HA 0.012 4.562 4.550 -0.000 0.000 0.286 164 Y C 1.940 177.753 175.900 -0.145 0.000 1.145 164 Y CA 0.621 58.687 58.100 -0.057 0.000 1.148 164 Y CB -0.974 37.505 38.460 0.032 0.000 0.981 164 Y HN -0.016 nan 8.280 nan 0.000 0.507 165 M N -0.150 119.463 119.600 0.022 0.000 2.277 165 M HA 0.275 4.755 4.480 -0.000 0.000 0.350 165 M C -1.490 174.738 176.300 -0.119 0.000 1.180 165 M CA -0.701 54.585 55.300 -0.023 0.000 1.103 165 M CB 0.728 33.361 32.600 0.056 0.000 1.577 165 M HN 0.046 nan 8.290 nan 0.000 0.459 166 Y N 4.936 125.255 120.300 0.032 0.000 2.436 166 Y HA 0.195 4.745 4.550 -0.000 0.000 0.336 166 Y C 0.892 176.794 175.900 0.003 0.000 1.049 166 Y CA -0.082 58.026 58.100 0.014 0.000 1.294 166 Y CB 0.190 38.659 38.460 0.014 0.000 1.179 166 Y HN 0.630 nan 8.280 nan 0.000 0.520 167 I N -0.415 120.226 120.570 0.118 0.000 3.927 167 I HA 0.402 4.572 4.170 -0.000 0.000 0.332 167 I C -0.260 175.882 176.117 0.043 0.000 1.485 167 I CA -0.211 61.124 61.300 0.059 0.000 1.131 167 I CB 0.084 38.095 38.000 0.018 0.000 1.092 167 I HN 0.370 nan 8.210 nan 0.000 0.410 168 S N -0.325 115.416 115.700 0.069 0.000 2.535 168 S HA 0.692 5.162 4.470 -0.000 0.000 0.272 168 S C -2.955 171.665 174.600 0.033 0.000 1.149 168 S CA -0.913 57.304 58.200 0.029 0.000 0.888 168 S CB 1.487 64.705 63.200 0.031 0.000 1.110 168 S HN -0.066 nan 8.310 nan 0.000 0.463 169 P HA 0.412 nan 4.420 nan 0.000 0.277 169 P C -2.040 175.173 177.300 -0.146 0.000 1.276 169 P CA -1.483 61.562 63.100 -0.091 0.000 0.788 169 P CB -0.211 31.401 31.700 -0.147 0.000 1.114 170 P HA -0.166 nan 4.420 nan 0.000 0.219 170 P C 0.894 178.081 177.300 -0.188 0.000 1.146 170 P CA 1.397 64.421 63.100 -0.127 0.000 0.808 170 P CB -0.018 31.622 31.700 -0.100 0.000 0.779 171 E N -0.372 119.611 120.200 -0.362 0.000 2.204 171 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 171 E C 2.039 178.439 176.600 -0.333 0.000 0.989 171 E CA 1.183 57.299 56.400 -0.474 0.000 0.824 171 E CB -0.968 28.084 29.700 -1.081 0.000 0.756 171 E HN 0.176 nan 8.360 nan 0.000 0.477 172 A N 0.669 123.324 122.820 -0.275 0.000 2.121 172 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 172 A C 1.795 179.374 177.584 -0.007 0.000 1.154 172 A CA 0.683 52.672 52.037 -0.080 0.000 0.679 172 A CB -0.266 18.720 19.000 -0.024 0.000 0.795 172 A HN 0.141 nan 8.150 nan 0.000 0.458 173 L N -0.704 120.504 121.223 -0.025 0.000 2.093 173 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 173 L C 2.086 178.969 176.870 0.021 0.000 1.085 173 L CA 1.810 56.656 54.840 0.009 0.000 0.755 173 L CB -1.167 40.888 42.059 -0.007 0.000 0.904 173 L HN 0.375 nan 8.230 nan 0.000 0.435 174 E N -0.946 119.257 120.200 0.005 0.000 2.340 174 E HA -0.003 4.347 4.350 -0.000 0.000 0.194 174 E C 0.419 177.046 176.600 0.046 0.000 0.996 174 E CA 0.117 56.532 56.400 0.026 0.000 0.869 174 E CB 0.105 29.813 29.700 0.013 0.000 0.835 174 E HN 0.190 nan 8.360 nan 0.000 0.493 175 N N -0.282 118.444 118.700 0.042 0.000 2.640 175 N HA 0.196 4.936 4.740 -0.000 0.000 0.262 175 N C -2.557 172.993 175.510 0.067 0.000 1.174 175 N CA -1.897 51.196 53.050 0.071 0.000 0.791 175 N CB 1.254 39.804 38.487 0.105 0.000 1.279 175 N HN -0.264 nan 8.380 nan 0.000 0.535 176 P HA 0.025 nan 4.420 nan 0.000 0.228 176 P C 0.306 177.540 177.300 -0.108 0.000 1.151 176 P CA 0.795 63.900 63.100 0.008 0.000 0.770 176 P CB 0.218 31.966 31.700 0.080 0.000 0.786 177 c N -3.696 114.877 118.600 -0.044 0.000 2.906 177 c HA 0.172 4.742 4.570 -0.000 0.000 0.274 177 c C 2.190 176.248 174.090 -0.054 0.000 1.257 177 c CA -0.622 55.645 56.329 -0.103 0.000 1.695 177 c CB -2.140 40.342 42.510 -0.047 0.000 1.958 177 c HN 0.261 nan 8.230 nan 0.000 0.619 178 Y N 3.152 123.383 120.300 -0.114 0.000 2.102 178 Y HA -0.312 4.238 4.550 -0.000 0.000 0.280 178 Y C 2.059 177.896 175.900 -0.105 0.000 1.178 178 Y CA 2.501 60.550 58.100 -0.086 0.000 1.146 178 Y CB -0.398 38.022 38.460 -0.067 0.000 0.968 178 Y HN 0.439 nan 8.280 nan 0.000 0.504 179 D N -0.219 120.160 120.400 -0.034 0.000 2.190 179 D HA -0.253 4.387 4.640 -0.000 0.000 0.200 179 D C 1.587 177.768 176.300 -0.199 0.000 0.992 179 D CA 2.034 55.956 54.000 -0.130 0.000 0.854 179 D CB -0.295 40.411 40.800 -0.156 0.000 0.936 179 D HN 0.513 nan 8.370 nan 0.000 0.462 180 M N -0.743 118.736 119.600 -0.201 0.000 2.494 180 M HA 0.183 4.663 4.480 -0.000 0.000 0.232 180 M C 0.488 176.698 176.300 -0.150 0.000 1.137 180 M CA 0.215 55.412 55.300 -0.172 0.000 1.012 180 M CB 0.232 32.720 32.600 -0.187 0.000 1.567 180 M HN -0.055 nan 8.290 nan 0.000 0.486 181 K N -0.945 119.333 120.400 -0.205 0.000 3.572 181 K HA -0.191 4.129 4.320 -0.000 0.000 0.306 181 K C 0.653 177.186 176.600 -0.111 0.000 1.286 181 K CA 1.505 57.678 56.287 -0.190 0.000 1.010 181 K CB -2.041 30.371 32.500 -0.146 0.000 1.268 181 K HN 0.638 nan 8.250 nan 0.000 0.438 182 T N -2.528 111.980 114.554 -0.076 0.000 2.902 182 T HA 0.486 4.836 4.350 -0.000 0.000 0.287 182 T C 0.252 174.951 174.700 -0.001 0.000 1.048 182 T CA 0.069 62.156 62.100 -0.020 0.000 0.941 182 T CB 2.056 70.935 68.868 0.019 0.000 1.432 182 T HN 0.103 nan 8.240 nan 0.000 0.586 183 T N -0.427 114.149 114.554 0.037 0.000 3.032 183 T HA 0.569 4.919 4.350 -0.000 0.000 0.312 183 T C -0.610 174.137 174.700 0.078 0.000 1.078 183 T CA -0.638 61.494 62.100 0.053 0.000 1.028 183 T CB 0.105 69.002 68.868 0.049 0.000 1.091 183 T HN 1.244 nan 8.240 nan 0.000 0.457 184 c N 3.822 122.474 118.600 0.087 0.000 3.259 184 c HA 0.833 5.403 4.570 -0.000 0.000 0.328 184 c C -0.223 173.926 174.090 0.099 0.000 1.425 184 c CA -1.278 55.115 56.329 0.106 0.000 1.465 184 c CB -0.057 42.544 42.510 0.151 0.000 1.890 184 c HN 0.929 nan 8.230 nan 0.000 0.450 185 L N 2.748 124.039 121.223 0.114 0.000 2.453 185 L HA 0.427 4.767 4.340 -0.000 0.000 0.261 185 L C -1.517 175.434 176.870 0.135 0.000 1.179 185 L CA -1.200 53.718 54.840 0.129 0.000 0.813 185 L CB 0.921 43.082 42.059 0.170 0.000 1.110 185 L HN 0.608 nan 8.230 nan 0.000 0.466 186 P HA 0.006 nan 4.420 nan 0.000 0.275 186 P C -0.801 176.596 177.300 0.162 0.000 1.270 186 P CA -0.353 62.828 63.100 0.134 0.000 0.791 186 P CB 0.739 32.511 31.700 0.120 0.000 1.089 187 M N 0.641 120.311 119.600 0.117 0.000 2.409 187 M HA 0.520 5.000 4.480 -0.000 0.000 0.329 187 M C -0.912 175.470 176.300 0.136 0.000 1.180 187 M CA -0.465 54.856 55.300 0.036 0.000 1.053 187 M CB 0.356 32.976 32.600 0.033 0.000 1.586 187 M HN 0.344 nan 8.290 nan 0.000 0.461 188 F N 0.474 120.482 119.950 0.096 0.000 2.678 188 F HA 0.692 5.219 4.527 -0.000 0.000 0.308 188 F C 0.086 176.000 175.800 0.190 0.000 1.118 188 F CA -0.769 57.291 58.000 0.101 0.000 0.959 188 F CB 0.397 39.459 39.000 0.102 0.000 1.305 188 F HN 0.558 nan 8.300 nan 0.000 0.443 189 G N 0.441 109.505 108.800 0.440 0.000 2.499 189 G HA2 0.124 4.084 3.960 -0.000 0.000 0.213 189 G HA3 0.124 4.084 3.960 -0.000 0.000 0.213 189 G C -1.104 174.227 174.900 0.718 0.000 1.230 189 G CA 1.179 46.555 45.100 0.460 0.000 0.813 189 G HN 0.870 nan 8.290 nan 0.000 0.542 190 Y N 0.031 120.720 120.300 0.648 0.000 2.401 190 Y HA 0.633 5.183 4.550 -0.000 0.000 0.330 190 Y C -0.974 175.218 175.900 0.487 0.000 1.071 190 Y CA -1.495 56.967 58.100 0.605 0.000 1.049 190 Y CB 1.598 40.323 38.460 0.441 0.000 1.239 190 Y HN 0.088 nan 8.280 nan 0.000 0.437 191 K N 4.707 124.879 120.400 -0.379 0.000 2.426 191 K HA 0.332 4.652 4.320 -0.000 0.000 0.254 191 K C -1.881 174.256 176.600 -0.770 0.000 0.936 191 K CA -0.889 55.037 56.287 -0.602 0.000 0.801 191 K CB 0.890 32.978 32.500 -0.687 0.000 1.139 191 K HN 0.911 nan 8.250 nan 0.000 0.424 192 H N 3.369 122.011 119.070 -0.714 0.000 2.604 192 H HA 0.208 4.764 4.556 -0.000 0.000 0.306 192 H C -0.038 175.066 175.328 -0.375 0.000 1.075 192 H CA -0.226 55.587 56.048 -0.392 0.000 1.357 192 H CB 1.414 31.069 29.762 -0.180 0.000 1.426 192 H HN 0.367 nan 8.280 nan 0.000 0.470 193 V N 5.205 124.616 119.914 -0.837 0.000 2.806 193 V HA 0.277 4.397 4.120 -0.000 0.000 0.239 193 V C -0.404 175.303 176.094 -0.646 0.000 1.113 193 V CA 0.366 62.230 62.300 -0.726 0.000 1.137 193 V CB 0.146 31.464 31.823 -0.841 0.000 0.865 193 V HN 0.558 nan 8.190 nan 0.000 0.482 194 L N 1.009 121.776 121.223 -0.761 0.000 2.349 194 L HA 0.599 4.939 4.340 -0.000 0.000 0.278 194 L C -0.015 176.785 176.870 -0.117 0.000 0.996 194 L CA 0.162 54.821 54.840 -0.303 0.000 0.825 194 L CB 1.684 43.722 42.059 -0.034 0.000 1.243 194 L HN 0.147 nan 8.230 nan 0.000 0.412 195 T N 4.872 119.479 114.554 0.088 0.000 2.898 195 T HA 0.337 4.687 4.350 -0.000 0.000 0.301 195 T C 0.366 175.151 174.700 0.141 0.000 1.049 195 T CA -0.361 61.873 62.100 0.222 0.000 1.095 195 T CB 0.373 69.341 68.868 0.167 0.000 0.976 195 T HN 0.427 nan 8.240 nan 0.000 0.539 196 L N 2.891 124.170 121.223 0.093 0.000 2.654 196 L HA 0.185 4.525 4.340 -0.000 0.000 0.271 196 L C 0.947 177.843 176.870 0.043 0.000 1.169 196 L CA 0.322 55.190 54.840 0.048 0.000 0.947 196 L CB -0.356 41.673 42.059 -0.050 0.000 1.232 196 L HN 0.650 nan 8.230 nan 0.000 0.486 197 T N -0.107 114.476 114.554 0.049 0.000 2.883 197 T HA 0.262 4.612 4.350 -0.000 0.000 0.296 197 T C 0.412 175.120 174.700 0.012 0.000 1.117 197 T CA -0.510 61.613 62.100 0.038 0.000 1.006 197 T CB 1.536 70.437 68.868 0.055 0.000 1.191 197 T HN 0.690 nan 8.240 nan 0.000 0.508 198 D N 0.773 121.179 120.400 0.009 0.000 2.289 198 D HA -0.003 4.637 4.640 -0.000 0.000 0.207 198 D C 0.585 176.879 176.300 -0.010 0.000 0.966 198 D CA 0.545 54.541 54.000 -0.008 0.000 0.868 198 D CB -0.251 40.549 40.800 0.000 0.000 0.943 198 D HN 0.520 nan 8.370 nan 0.000 0.514 199 Q N 0.972 120.781 119.800 0.015 0.000 2.580 199 Q HA 0.104 4.444 4.340 -0.000 0.000 0.232 199 Q C 0.837 176.863 176.000 0.043 0.000 1.326 199 Q CA -0.315 55.505 55.803 0.028 0.000 0.887 199 Q CB 0.747 29.511 28.738 0.044 0.000 1.617 199 Q HN 0.165 nan 8.270 nan 0.000 0.554 200 V N 1.054 120.970 119.914 0.004 0.000 2.568 200 V HA -0.300 3.820 4.120 -0.000 0.000 0.253 200 V C 2.361 178.506 176.094 0.085 0.000 1.072 200 V CA 2.372 64.671 62.300 -0.002 0.000 1.084 200 V CB -0.968 30.820 31.823 -0.058 0.000 0.676 200 V HN 0.834 nan 8.190 nan 0.000 0.469 201 T N -1.790 112.798 114.554 0.057 0.000 2.857 201 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 201 T C 2.012 176.754 174.700 0.069 0.000 1.048 201 T CA 0.907 63.039 62.100 0.053 0.000 1.139 201 T CB -0.314 68.570 68.868 0.028 0.000 0.874 201 T HN 0.293 nan 8.240 nan 0.000 0.455 202 R N -0.318 120.233 120.500 0.085 0.000 2.189 202 R HA 0.090 4.430 4.340 -0.000 0.000 0.218 202 R C 2.017 178.392 176.300 0.124 0.000 1.074 202 R CA 0.599 56.749 56.100 0.084 0.000 0.991 202 R CB -0.519 29.828 30.300 0.078 0.000 0.883 202 R HN 0.554 nan 8.270 nan 0.000 0.457 203 F N 1.311 121.257 119.950 -0.007 0.000 2.098 203 F HA -0.092 4.435 4.527 -0.000 0.000 0.294 203 F C 1.613 177.355 175.800 -0.096 0.000 1.107 203 F CA 1.719 59.708 58.000 -0.020 0.000 1.234 203 F CB -0.353 38.618 39.000 -0.048 0.000 1.002 203 F HN 0.036 nan 8.300 nan 0.000 0.472 204 N N 0.085 118.819 118.700 0.055 0.000 2.149 204 N HA -0.198 4.542 4.740 -0.000 0.000 0.188 204 N C 1.611 177.027 175.510 -0.156 0.000 1.019 204 N CA 1.454 54.443 53.050 -0.102 0.000 0.857 204 N CB -0.266 38.228 38.487 0.012 0.000 0.997 204 N HN 0.454 nan 8.380 nan 0.000 0.426 205 E N 0.635 120.790 120.200 -0.075 0.000 2.110 205 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 205 E C 1.672 178.224 176.600 -0.080 0.000 0.988 205 E CA 0.904 57.269 56.400 -0.058 0.000 0.804 205 E CB 0.073 29.763 29.700 -0.017 0.000 0.745 205 E HN 0.308 nan 8.360 nan 0.000 0.458 206 E N 0.246 120.389 120.200 -0.096 0.000 2.028 206 E HA -0.123 4.227 4.350 -0.000 0.000 0.190 206 E C 2.046 178.563 176.600 -0.138 0.000 0.984 206 E CA 0.720 57.100 56.400 -0.032 0.000 0.800 206 E CB -0.021 29.752 29.700 0.123 0.000 0.758 206 E HN -0.020 nan 8.360 nan 0.000 0.448 207 V N 1.099 120.677 119.914 -0.559 0.000 2.453 207 V HA -0.282 3.838 4.120 -0.000 0.000 0.252 207 V C 1.882 177.758 176.094 -0.363 0.000 1.068 207 V CA 1.980 63.810 62.300 -0.784 0.000 1.070 207 V CB -0.396 30.756 31.823 -1.117 0.000 0.664 207 V HN 0.237 nan 8.190 nan 0.000 0.461 208 K N -0.451 119.802 120.400 -0.246 0.000 2.418 208 K HA 0.008 4.328 4.320 -0.000 0.000 0.195 208 K C 1.844 178.402 176.600 -0.070 0.000 1.035 208 K CA 0.394 56.597 56.287 -0.140 0.000 1.003 208 K CB -0.016 32.421 32.500 -0.105 0.000 0.793 208 K HN 0.405 nan 8.250 nan 0.000 0.494 209 K N 0.674 121.041 120.400 -0.055 0.000 2.444 209 K HA 0.038 4.358 4.320 -0.000 0.000 0.193 209 K C 0.197 176.801 176.600 0.007 0.000 1.024 209 K CA 0.254 56.532 56.287 -0.013 0.000 1.077 209 K CB 0.345 32.842 32.500 -0.004 0.000 0.833 209 K HN 0.070 nan 8.250 nan 0.000 0.517 210 Q N 1.113 120.915 119.800 0.003 0.000 2.352 210 Q HA 0.108 4.448 4.340 -0.000 0.000 0.260 210 Q C 0.050 176.064 176.000 0.022 0.000 0.976 210 Q CA 0.166 55.989 55.803 0.034 0.000 0.881 210 Q CB 1.582 30.350 28.738 0.049 0.000 1.235 210 Q HN 0.148 nan 8.270 nan 0.000 0.419 211 S N -1.149 114.578 115.700 0.045 0.000 2.556 211 S HA 0.613 5.083 4.470 -0.000 0.000 0.271 211 S C -0.030 174.601 174.600 0.052 0.000 1.135 211 S CA -0.897 57.326 58.200 0.037 0.000 0.858 211 S CB 0.996 64.222 63.200 0.044 0.000 1.114 211 S HN 0.444 nan 8.310 nan 0.000 0.468 212 V N 0.072 119.998 119.914 0.020 0.000 3.376 212 V HA 0.745 4.865 4.120 -0.000 0.000 0.303 212 V C 0.503 176.645 176.094 0.079 0.000 1.100 212 V CA 0.111 62.421 62.300 0.016 0.000 1.126 212 V CB 0.854 32.647 31.823 -0.049 0.000 1.085 212 V HN 1.143 nan 8.190 nan 0.000 0.480 213 S N 0.475 116.217 115.700 0.070 0.000 2.900 213 S HA 0.678 5.148 4.470 -0.000 0.000 0.320 213 S C -0.581 174.105 174.600 0.143 0.000 1.130 213 S CA -1.077 57.175 58.200 0.087 0.000 0.863 213 S CB 1.772 64.963 63.200 -0.016 0.000 1.295 213 S HN 0.944 nan 8.310 nan 0.000 0.596 214 R N 1.216 121.787 120.500 0.118 0.000 2.795 214 R HA 0.498 4.838 4.340 -0.000 0.000 0.275 214 R C -1.266 175.150 176.300 0.192 0.000 0.981 214 R CA -0.589 55.610 56.100 0.164 0.000 0.917 214 R CB 1.831 32.186 30.300 0.091 0.000 1.202 214 R HN 0.858 nan 8.270 nan 0.000 0.469 215 N N 0.264 119.106 118.700 0.237 0.000 2.825 215 N HA 0.197 4.937 4.740 -0.000 0.000 0.253 215 N C -0.065 175.530 175.510 0.143 0.000 1.426 215 N CA -0.333 52.815 53.050 0.162 0.000 0.851 215 N CB 2.243 40.794 38.487 0.107 0.000 1.470 215 N HN 0.480 nan 8.380 nan 0.000 0.517 216 R N 0.048 120.504 120.500 -0.074 0.000 2.128 216 R HA 0.049 4.389 4.340 -0.000 0.000 0.211 216 R C -0.349 175.971 176.300 0.033 0.000 1.067 216 R CA 0.999 57.013 56.100 -0.142 0.000 1.010 216 R CB -0.047 29.983 30.300 -0.450 0.000 0.922 216 R HN 0.648 nan 8.270 nan 0.000 0.457 217 D N -0.766 119.694 120.400 0.100 0.000 2.185 217 D HA 0.211 4.851 4.640 -0.000 0.000 0.247 217 D C 0.514 176.857 176.300 0.071 0.000 1.027 217 D CA -0.076 53.993 54.000 0.114 0.000 0.861 217 D CB 1.664 42.584 40.800 0.199 0.000 1.202 217 D HN 0.078 nan 8.370 nan 0.000 0.453 218 A N 2.436 125.277 122.820 0.034 0.000 1.869 218 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 218 A C -1.321 176.221 177.584 -0.069 0.000 1.203 218 A CA 1.057 53.094 52.037 0.000 0.000 0.638 218 A CB -1.995 17.003 19.000 -0.003 0.000 0.831 218 A HN 0.593 nan 8.150 nan 0.000 0.450 219 P HA 0.165 nan 4.420 nan 0.000 0.266 219 P C -0.117 176.940 177.300 -0.405 0.000 1.195 219 P CA 0.464 63.290 63.100 -0.457 0.000 0.768 219 P CB 0.525 31.663 31.700 -0.936 0.000 0.838 220 E N 1.001 121.043 120.200 -0.263 0.000 2.355 220 E HA 0.405 4.755 4.350 -0.000 0.000 0.261 220 E C 0.692 177.297 176.600 0.008 0.000 0.943 220 E CA -0.890 55.515 56.400 0.008 0.000 0.806 220 E CB 0.931 30.769 29.700 0.231 0.000 1.286 220 E HN 0.401 nan 8.360 nan 0.000 0.424 221 G N 0.016 108.938 108.800 0.203 0.000 3.639 221 G HA2 0.210 4.170 3.960 -0.000 0.000 0.279 221 G HA3 0.210 4.170 3.960 -0.000 0.000 0.279 221 G C 0.934 175.829 174.900 -0.008 0.000 1.312 221 G CA 0.235 45.465 45.100 0.216 0.000 1.355 221 G HN 0.453 nan 8.290 nan 0.000 0.595 222 G N 0.908 109.553 108.800 -0.259 0.000 2.418 222 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 222 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 222 G C 1.391 176.255 174.900 -0.059 0.000 1.158 222 G CA 0.521 45.276 45.100 -0.576 0.000 0.771 222 G HN 0.365 nan 8.290 nan 0.000 0.545 223 F N 1.429 121.260 119.950 -0.198 0.000 2.269 223 F HA 0.022 4.549 4.527 -0.000 0.000 0.301 223 F C 2.228 177.950 175.800 -0.131 0.000 1.082 223 F CA 0.459 58.339 58.000 -0.201 0.000 1.360 223 F CB -0.694 38.211 39.000 -0.158 0.000 1.041 223 F HN 0.125 nan 8.300 nan 0.000 0.512 224 D N -0.103 120.395 120.400 0.162 0.000 2.144 224 D HA -0.080 4.560 4.640 -0.000 0.000 0.200 224 D C 2.340 178.522 176.300 -0.196 0.000 0.978 224 D CA 1.282 55.330 54.000 0.080 0.000 0.833 224 D CB -0.190 40.789 40.800 0.298 0.000 0.961 224 D HN 0.149 nan 8.370 nan 0.000 0.470 225 A N 0.325 123.030 122.820 -0.192 0.000 1.873 225 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 225 A C 2.356 179.679 177.584 -0.434 0.000 1.186 225 A CA 0.842 52.596 52.037 -0.470 0.000 0.616 225 A CB -0.720 18.213 19.000 -0.110 0.000 0.823 225 A HN 0.208 nan 8.150 nan 0.000 0.442 226 I N -1.193 119.270 120.570 -0.179 0.000 2.091 226 I HA -0.353 3.817 4.170 -0.000 0.000 0.239 226 I C 2.680 178.682 176.117 -0.190 0.000 1.061 226 I CA 2.244 63.464 61.300 -0.133 0.000 1.317 226 I CB -0.387 37.486 38.000 -0.212 0.000 1.031 226 I HN 0.434 nan 8.210 nan 0.000 0.401 227 M N 0.565 120.034 119.600 -0.218 0.000 2.089 227 M HA -0.277 4.203 4.480 -0.000 0.000 0.257 227 M C 2.245 178.404 176.300 -0.234 0.000 1.071 227 M CA 1.925 57.102 55.300 -0.206 0.000 1.096 227 M CB -0.474 32.024 32.600 -0.170 0.000 1.330 227 M HN 0.142 nan 8.290 nan 0.000 0.403 228 Q N -0.449 119.131 119.800 -0.367 0.000 2.119 228 Q HA 0.033 4.373 4.340 -0.000 0.000 0.201 228 Q C 2.271 178.148 176.000 -0.205 0.000 0.972 228 Q CA 1.796 57.398 55.803 -0.336 0.000 0.847 228 Q CB -0.911 27.534 28.738 -0.488 0.000 0.903 228 Q HN 0.702 nan 8.270 nan 0.000 0.433 229 A N 0.342 123.020 122.820 -0.238 0.000 1.972 229 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 229 A C 2.231 179.885 177.584 0.117 0.000 1.169 229 A CA 1.815 53.815 52.037 -0.061 0.000 0.635 229 A CB -0.531 18.505 19.000 0.060 0.000 0.810 229 A HN 0.359 nan 8.150 nan 0.000 0.446 230 T N -0.666 113.886 114.554 -0.003 0.000 2.942 230 T HA 0.001 4.351 4.350 -0.000 0.000 0.265 230 T C 1.623 176.263 174.700 -0.101 0.000 1.062 230 T CA 1.611 63.663 62.100 -0.080 0.000 1.139 230 T CB -0.147 68.629 68.868 -0.153 0.000 0.883 230 T HN 0.663 nan 8.240 nan 0.000 0.468 231 V N -2.160 117.706 119.914 -0.080 0.000 3.578 231 V HA 0.337 4.457 4.120 -0.000 0.000 0.290 231 V C 0.875 176.937 176.094 -0.053 0.000 1.376 231 V CA -0.463 61.789 62.300 -0.080 0.000 1.083 231 V CB -0.878 30.888 31.823 -0.095 0.000 0.911 231 V HN 0.327 nan 8.190 nan 0.000 0.433 232 c N 2.384 120.967 118.600 -0.028 0.000 2.447 232 c HA 0.333 4.903 4.570 -0.000 0.000 0.402 232 c C 1.736 175.813 174.090 -0.021 0.000 1.356 232 c CA -0.640 55.663 56.329 -0.043 0.000 1.712 232 c CB -1.886 40.586 42.510 -0.065 0.000 2.540 232 c HN 0.580 nan 8.230 nan 0.000 0.593 233 D N 1.664 122.089 120.400 0.041 0.000 2.370 233 D HA -0.252 4.388 4.640 -0.000 0.000 0.190 233 D C 1.776 178.087 176.300 0.018 0.000 1.019 233 D CA 1.915 55.979 54.000 0.106 0.000 0.869 233 D CB 0.003 40.833 40.800 0.049 0.000 0.944 233 D HN 0.667 nan 8.370 nan 0.000 0.456 234 E N 0.394 120.577 120.200 -0.027 0.000 2.031 234 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 234 E C 2.196 178.729 176.600 -0.112 0.000 0.994 234 E CA 0.742 57.111 56.400 -0.052 0.000 0.800 234 E CB 0.063 29.737 29.700 -0.042 0.000 0.752 234 E HN 0.188 nan 8.360 nan 0.000 0.447 235 K N 0.793 121.093 120.400 -0.167 0.000 2.001 235 K HA -0.159 4.161 4.320 -0.000 0.000 0.214 235 K C 2.152 178.488 176.600 -0.440 0.000 1.050 235 K CA 1.050 57.151 56.287 -0.311 0.000 0.934 235 K CB -0.568 31.713 32.500 -0.365 0.000 0.718 235 K HN 0.176 nan 8.250 nan 0.000 0.443 236 I N -0.183 120.118 120.570 -0.449 0.000 2.286 236 I HA -0.126 4.044 4.170 -0.000 0.000 0.248 236 I C 1.391 177.254 176.117 -0.423 0.000 1.115 236 I CA 1.587 62.566 61.300 -0.535 0.000 1.392 236 I CB -1.435 36.025 38.000 -0.900 0.000 1.065 236 I HN 0.483 nan 8.210 nan 0.000 0.418 237 G N 0.249 108.865 108.800 -0.306 0.000 2.165 237 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.226 237 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.226 237 G C -0.357 174.478 174.900 -0.110 0.000 1.035 237 G CA -0.392 44.614 45.100 -0.157 0.000 0.744 237 G HN 0.333 nan 8.290 nan 0.000 0.501 238 W N 1.875 123.122 121.300 -0.088 0.000 2.381 238 W HA 0.452 5.112 4.660 -0.000 0.000 0.321 238 W C 1.437 177.948 176.519 -0.014 0.000 1.407 238 W CA -0.623 56.648 57.345 -0.124 0.000 1.274 238 W CB 0.530 29.741 29.460 -0.415 0.000 1.310 238 W HN 0.362 nan 8.180 nan 0.000 0.551 239 R N 3.155 123.853 120.500 0.331 0.000 2.265 239 R HA 0.238 4.578 4.340 -0.000 0.000 0.314 239 R C 0.487 176.963 176.300 0.293 0.000 1.053 239 R CA -0.590 55.653 56.100 0.238 0.000 0.931 239 R CB 0.577 30.975 30.300 0.164 0.000 1.024 239 R HN 0.464 nan 8.270 nan 0.000 0.457 240 N N 1.767 120.577 118.700 0.182 0.000 2.096 240 N HA -0.266 4.474 4.740 -0.000 0.000 0.198 240 N C -0.122 175.447 175.510 0.098 0.000 1.017 240 N CA 2.390 55.524 53.050 0.139 0.000 0.889 240 N CB -0.252 38.279 38.487 0.072 0.000 1.081 240 N HN 0.786 nan 8.380 nan 0.000 0.549 241 D N 0.668 121.097 120.400 0.048 0.000 2.455 241 D HA 0.437 5.077 4.640 -0.000 0.000 0.234 241 D C -0.389 175.895 176.300 -0.026 0.000 1.224 241 D CA -0.048 53.947 54.000 -0.009 0.000 0.999 241 D CB 0.179 40.971 40.800 -0.013 0.000 1.072 241 D HN 0.362 nan 8.370 nan 0.000 0.514 242 A N 1.403 124.152 122.820 -0.119 0.000 2.522 242 A HA 0.513 4.833 4.320 -0.000 0.000 0.291 242 A C -1.098 176.217 177.584 -0.448 0.000 1.039 242 A CA -0.852 51.081 52.037 -0.173 0.000 0.643 242 A CB 1.164 20.160 19.000 -0.008 0.000 1.310 242 A HN 0.326 nan 8.150 nan 0.000 0.436 243 S N -0.382 115.140 115.700 -0.297 0.000 2.480 243 S HA 0.627 5.097 4.470 -0.000 0.000 0.286 243 S C -0.672 173.810 174.600 -0.197 0.000 1.180 243 S CA -0.226 57.798 58.200 -0.293 0.000 1.075 243 S CB -0.029 63.093 63.200 -0.130 0.000 0.996 243 S HN 0.630 nan 8.310 nan 0.000 0.487 244 H N 3.449 122.519 119.070 -0.001 0.000 2.466 244 H HA 0.577 5.133 4.556 -0.000 0.000 0.338 244 H C -0.662 174.688 175.328 0.036 0.000 1.091 244 H CA -0.824 55.236 56.048 0.019 0.000 1.207 244 H CB 1.217 30.749 29.762 -0.383 0.000 1.466 244 H HN 0.382 nan 8.280 nan 0.000 0.493 245 L N 4.084 125.534 121.223 0.378 0.000 2.385 245 L HA 0.380 4.720 4.340 -0.000 0.000 0.273 245 L C -0.960 176.173 176.870 0.437 0.000 0.990 245 L CA -0.579 54.436 54.840 0.291 0.000 0.821 245 L CB 2.283 44.479 42.059 0.229 0.000 1.279 245 L HN 0.471 nan 8.230 nan 0.000 0.412 246 L N 4.333 125.748 121.223 0.321 0.000 2.318 246 L HA 0.485 4.825 4.340 -0.000 0.000 0.277 246 L C -0.804 176.263 176.870 0.327 0.000 1.008 246 L CA -0.633 54.445 54.840 0.397 0.000 0.846 246 L CB 1.897 44.137 42.059 0.303 0.000 1.220 246 L HN 0.321 nan 8.230 nan 0.000 0.423 247 V N 4.568 124.723 119.914 0.401 0.000 2.383 247 V HA 0.261 4.381 4.120 -0.000 0.000 0.275 247 V C -0.326 176.025 176.094 0.429 0.000 1.036 247 V CA -0.379 62.161 62.300 0.401 0.000 0.889 247 V CB 1.335 33.436 31.823 0.463 0.000 0.985 247 V HN 0.419 nan 8.190 nan 0.000 0.459 248 F N 4.913 125.009 119.950 0.243 0.000 2.444 248 F HA 0.696 5.223 4.527 -0.000 0.000 0.342 248 F C 0.435 176.340 175.800 0.175 0.000 1.121 248 F CA -0.262 57.886 58.000 0.246 0.000 0.997 248 F CB 1.706 40.940 39.000 0.390 0.000 1.130 248 F HN 0.591 nan 8.300 nan 0.000 0.454 249 T N 1.969 116.275 114.554 -0.413 0.000 2.863 249 T HA 0.742 5.092 4.350 -0.000 0.000 0.285 249 T C -0.490 173.909 174.700 -0.501 0.000 1.009 249 T CA -0.740 61.145 62.100 -0.358 0.000 0.989 249 T CB 1.752 70.468 68.868 -0.253 0.000 1.004 249 T HN 0.791 nan 8.240 nan 0.000 0.455 250 T N 0.483 114.835 114.554 -0.336 0.000 2.831 250 T HA 0.397 4.747 4.350 -0.000 0.000 0.333 250 T C -1.253 173.362 174.700 -0.140 0.000 1.684 250 T CA -0.358 61.604 62.100 -0.230 0.000 1.049 250 T CB 1.629 70.394 68.868 -0.173 0.000 1.518 250 T HN 0.810 nan 8.240 nan 0.000 0.491 251 D N 0.764 121.124 120.400 -0.067 0.000 2.469 251 D HA 0.540 5.180 4.640 -0.000 0.000 0.215 251 D C 0.276 176.595 176.300 0.032 0.000 1.154 251 D CA 0.083 54.071 54.000 -0.020 0.000 0.832 251 D CB 0.521 41.307 40.800 -0.024 0.000 1.008 251 D HN 0.700 nan 8.370 nan 0.000 0.506 252 A N 0.333 123.190 122.820 0.062 0.000 2.564 252 A HA 0.570 4.890 4.320 -0.000 0.000 0.288 252 A C -0.355 177.329 177.584 0.167 0.000 1.164 252 A CA -0.987 51.105 52.037 0.091 0.000 0.712 252 A CB 1.317 20.340 19.000 0.038 0.000 1.303 252 A HN 0.081 nan 8.150 nan 0.000 0.418 253 K N -0.145 120.303 120.400 0.080 0.000 2.344 253 K HA 0.339 4.659 4.320 -0.000 0.000 0.260 253 K C -0.100 176.448 176.600 -0.086 0.000 0.988 253 K CA 0.263 56.553 56.287 0.005 0.000 0.909 253 K CB 0.118 32.573 32.500 -0.075 0.000 0.968 253 K HN 0.568 nan 8.250 nan 0.000 0.505 254 T N -0.340 114.075 114.554 -0.232 0.000 2.924 254 T HA 0.167 4.517 4.350 -0.000 0.000 0.291 254 T C -0.988 173.336 174.700 -0.627 0.000 1.045 254 T CA -0.794 61.019 62.100 -0.477 0.000 1.015 254 T CB 0.810 69.209 68.868 -0.783 0.000 1.103 254 T HN 0.491 nan 8.240 nan 0.000 0.496 255 H N 3.477 122.146 119.070 -0.669 0.000 2.646 255 H HA 0.407 4.963 4.556 -0.000 0.000 0.325 255 H C 0.558 175.429 175.328 -0.761 0.000 1.075 255 H CA -0.151 55.410 56.048 -0.813 0.000 1.421 255 H CB 0.466 29.293 29.762 -1.559 0.000 1.461 255 H HN 0.603 nan 8.280 nan 0.000 0.525 256 I N -0.280 120.133 120.570 -0.262 0.000 3.205 256 I HA 0.693 4.863 4.170 -0.000 0.000 0.310 256 I C 0.405 176.582 176.117 0.099 0.000 1.089 256 I CA -1.440 59.838 61.300 -0.036 0.000 1.023 256 I CB 1.042 39.056 38.000 0.024 0.000 1.269 256 I HN 0.427 nan 8.210 nan 0.000 0.512 257 A N 1.825 124.745 122.820 0.166 0.000 2.466 257 A HA 0.385 4.705 4.320 -0.000 0.000 0.238 257 A C 0.802 178.479 177.584 0.154 0.000 1.074 257 A CA 0.064 52.214 52.037 0.187 0.000 0.774 257 A CB -0.177 18.902 19.000 0.132 0.000 1.015 257 A HN 1.068 nan 8.150 nan 0.000 0.498 258 L N -0.748 120.567 121.223 0.155 0.000 5.044 258 L HA -0.266 4.074 4.340 -0.000 0.000 0.412 258 L C 0.753 177.706 176.870 0.139 0.000 0.971 258 L CA 0.985 55.896 54.840 0.118 0.000 1.411 258 L CB -1.417 40.693 42.059 0.085 0.000 1.884 258 L HN 0.773 nan 8.230 nan 0.000 0.631 259 D N 0.381 120.903 120.400 0.204 0.000 2.194 259 D HA 0.007 4.647 4.640 -0.000 0.000 0.204 259 D C 1.962 178.407 176.300 0.241 0.000 0.964 259 D CA 1.384 55.507 54.000 0.204 0.000 0.846 259 D CB -0.118 40.777 40.800 0.159 0.000 0.962 259 D HN 0.500 nan 8.370 nan 0.000 0.490 260 G N 0.454 109.414 108.800 0.268 0.000 2.564 260 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 260 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 260 G C 1.565 176.511 174.900 0.076 0.000 1.124 260 G CA 0.188 45.363 45.100 0.125 0.000 0.764 260 G HN 0.219 nan 8.290 nan 0.000 0.550 261 R N -0.748 119.796 120.500 0.074 0.000 2.235 261 R HA 0.124 4.464 4.340 -0.000 0.000 0.213 261 R C 1.725 178.031 176.300 0.010 0.000 1.059 261 R CA 0.205 56.324 56.100 0.032 0.000 0.997 261 R CB -0.128 30.193 30.300 0.034 0.000 0.884 261 R HN 0.328 nan 8.270 nan 0.000 0.462 262 L N -0.258 120.978 121.223 0.021 0.000 2.551 262 L HA 0.037 4.377 4.340 -0.000 0.000 0.228 262 L C 1.379 178.159 176.870 -0.150 0.000 1.153 262 L CA 1.033 55.841 54.840 -0.054 0.000 0.851 262 L CB 0.296 42.325 42.059 -0.050 0.000 0.959 262 L HN 0.132 nan 8.230 nan 0.000 0.451 263 A N -1.544 121.217 122.820 -0.098 0.000 2.606 263 A HA 0.562 4.882 4.320 -0.000 0.000 0.290 263 A C 1.517 179.063 177.584 -0.063 0.000 1.174 263 A CA 0.326 52.288 52.037 -0.125 0.000 0.958 263 A CB -0.283 18.685 19.000 -0.054 0.000 1.194 263 A HN 0.334 nan 8.150 nan 0.000 0.526 264 G N -0.098 108.673 108.800 -0.048 0.000 2.155 264 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.257 264 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.257 264 G C 0.081 174.962 174.900 -0.032 0.000 0.983 264 G CA 0.575 45.652 45.100 -0.037 0.000 0.676 264 G HN 0.568 nan 8.290 nan 0.000 0.528 265 I N 1.198 121.750 120.570 -0.029 0.000 2.297 265 I HA 0.354 4.524 4.170 -0.000 0.000 0.291 265 I C 1.537 177.640 176.117 -0.023 0.000 1.033 265 I CA -0.348 60.928 61.300 -0.040 0.000 1.253 265 I CB 1.426 39.384 38.000 -0.070 0.000 1.396 265 I HN 0.085 nan 8.210 nan 0.000 0.476 266 V N 1.623 121.524 119.914 -0.021 0.000 3.612 266 V HA 0.145 4.265 4.120 -0.000 0.000 0.268 266 V C 0.850 176.940 176.094 -0.006 0.000 1.365 266 V CA -0.129 62.167 62.300 -0.007 0.000 1.044 266 V CB -0.238 31.583 31.823 -0.004 0.000 0.820 266 V HN 0.785 nan 8.190 nan 0.000 0.444 267 Q N 3.588 123.377 119.800 -0.018 0.000 2.244 267 Q HA 0.205 4.545 4.340 -0.000 0.000 0.278 267 Q C -2.208 173.790 176.000 -0.003 0.000 1.093 267 Q CA -1.641 54.154 55.803 -0.013 0.000 0.916 267 Q CB 0.905 29.627 28.738 -0.027 0.000 1.159 267 Q HN 0.412 nan 8.270 nan 0.000 0.384 268 P HA -0.094 nan 4.420 nan 0.000 0.268 268 P C -0.498 176.823 177.300 0.035 0.000 1.205 268 P CA -0.086 63.030 63.100 0.027 0.000 0.771 268 P CB 0.493 32.209 31.700 0.027 0.000 0.858 269 N N 2.491 121.221 118.700 0.051 0.000 2.411 269 N HA -0.092 4.648 4.740 -0.000 0.000 0.261 269 N C 0.862 176.414 175.510 0.070 0.000 1.248 269 N CA 0.312 53.406 53.050 0.072 0.000 0.885 269 N CB 0.349 38.885 38.487 0.082 0.000 1.062 269 N HN 0.406 nan 8.380 nan 0.000 0.471 270 D N 2.450 122.910 120.400 0.101 0.000 2.355 270 D HA 0.051 4.691 4.640 -0.000 0.000 0.218 270 D C 1.219 177.562 176.300 0.071 0.000 1.004 270 D CA 0.802 54.859 54.000 0.095 0.000 0.880 270 D CB -0.283 40.601 40.800 0.140 0.000 0.911 270 D HN 0.698 nan 8.370 nan 0.000 0.528 271 G N -0.236 108.603 108.800 0.066 0.000 2.184 271 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.264 271 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.264 271 G C 0.206 175.101 174.900 -0.008 0.000 0.975 271 G CA 0.537 45.645 45.100 0.014 0.000 0.642 271 G HN 0.518 nan 8.290 nan 0.000 0.536 272 Q N -0.818 118.987 119.800 0.010 0.000 2.199 272 Q HA 0.561 4.901 4.340 -0.000 0.000 0.232 272 Q C 0.587 176.467 176.000 -0.200 0.000 0.969 272 Q CA -0.331 55.410 55.803 -0.103 0.000 0.925 272 Q CB 1.716 30.370 28.738 -0.140 0.000 1.198 272 Q HN 0.437 nan 8.270 nan 0.000 0.494 273 c N 1.377 119.816 118.600 -0.267 0.000 2.527 273 c HA 0.207 4.777 4.570 -0.000 0.000 0.396 273 c C 0.140 173.997 174.090 -0.389 0.000 1.289 273 c CA -0.099 56.100 56.329 -0.216 0.000 2.047 273 c CB -0.590 41.846 42.510 -0.123 0.000 2.568 273 c HN 0.803 nan 8.230 nan 0.000 0.573 274 H N 3.342 122.503 119.070 0.153 0.000 2.865 274 H HA 0.216 4.772 4.556 -0.000 0.000 0.247 274 H C -0.581 174.898 175.328 0.251 0.000 1.181 274 H CA 0.008 56.187 56.048 0.217 0.000 0.975 274 H CB 0.427 30.382 29.762 0.321 0.000 1.899 274 H HN 0.436 nan 8.280 nan 0.000 0.651 275 V N 1.726 121.790 119.914 0.251 0.000 2.318 275 V HA 0.376 4.496 4.120 -0.000 0.000 0.271 275 V C 1.007 177.160 176.094 0.097 0.000 1.030 275 V CA -0.161 62.265 62.300 0.211 0.000 0.844 275 V CB 1.141 33.074 31.823 0.184 0.000 1.015 275 V HN 0.484 nan 8.190 nan 0.000 0.460 276 G N 3.161 112.021 108.800 0.100 0.000 3.329 276 G HA2 0.192 4.152 3.960 -0.000 0.000 0.180 276 G HA3 0.192 4.152 3.960 -0.000 0.000 0.180 276 G C 1.237 176.151 174.900 0.024 0.000 1.640 276 G CA 0.617 45.749 45.100 0.053 0.000 1.018 276 G HN 0.521 nan 8.290 nan 0.000 0.581 277 S N 1.373 117.089 115.700 0.027 0.000 2.338 277 S HA -0.121 4.349 4.470 -0.000 0.000 0.218 277 S C 2.058 176.661 174.600 0.005 0.000 1.032 277 S CA 1.754 59.962 58.200 0.013 0.000 0.999 277 S CB -0.425 62.786 63.200 0.018 0.000 0.905 277 S HN 0.747 nan 8.310 nan 0.000 0.439 278 D N 1.074 121.493 120.400 0.031 0.000 2.354 278 D HA -0.133 4.507 4.640 -0.000 0.000 0.216 278 D C 0.064 176.296 176.300 -0.113 0.000 0.970 278 D CA 0.629 54.649 54.000 0.033 0.000 0.905 278 D CB -0.670 40.232 40.800 0.171 0.000 0.903 278 D HN 0.227 nan 8.370 nan 0.000 0.508 279 N N -0.743 117.898 118.700 -0.098 0.000 2.829 279 N HA -0.176 4.564 4.740 -0.000 0.000 0.250 279 N C -1.157 174.179 175.510 -0.290 0.000 1.090 279 N CA 0.697 53.638 53.050 -0.181 0.000 0.781 279 N CB -2.029 36.317 38.487 -0.235 0.000 1.124 279 N HN 0.597 nan 8.380 nan 0.000 0.559 280 H N -1.176 117.909 119.070 0.025 0.000 2.621 280 H HA 0.357 4.913 4.556 -0.000 0.000 0.360 280 H C -0.436 175.027 175.328 0.224 0.000 1.163 280 H CA -0.752 55.336 56.048 0.067 0.000 1.194 280 H CB 0.871 30.663 29.762 0.050 0.000 1.649 280 H HN 0.045 nan 8.280 nan 0.000 0.532 281 Y N 2.561 123.055 120.300 0.324 0.000 2.640 281 Y HA 0.026 4.576 4.550 -0.000 0.000 0.355 281 Y C 0.967 176.995 175.900 0.212 0.000 1.088 281 Y CA -1.003 57.289 58.100 0.319 0.000 1.443 281 Y CB -0.042 38.670 38.460 0.420 0.000 1.224 281 Y HN 0.691 nan 8.280 nan 0.000 0.516 282 S N 2.905 118.678 115.700 0.121 0.000 2.555 282 S HA 0.019 4.489 4.470 -0.000 0.000 0.230 282 S C 1.554 175.985 174.600 -0.282 0.000 0.978 282 S CA 0.428 58.597 58.200 -0.052 0.000 0.934 282 S CB -0.112 63.116 63.200 0.046 0.000 0.766 282 S HN 0.668 nan 8.310 nan 0.000 0.533 283 A N 0.891 123.329 122.820 -0.637 0.000 2.387 283 A HA 0.465 4.785 4.320 -0.000 0.000 0.234 283 A C 1.929 179.026 177.584 -0.813 0.000 1.253 283 A CA 0.436 52.062 52.037 -0.684 0.000 0.894 283 A CB -0.611 18.001 19.000 -0.647 0.000 0.963 283 A HN 0.456 nan 8.150 nan 0.000 0.508 284 S N 0.461 115.571 115.700 -0.984 0.000 2.400 284 S HA -0.159 4.311 4.470 -0.000 0.000 0.232 284 S C 2.000 176.438 174.600 -0.270 0.000 1.025 284 S CA 2.368 60.248 58.200 -0.533 0.000 0.993 284 S CB -0.303 62.775 63.200 -0.203 0.000 0.808 284 S HN 0.806 nan 8.310 nan 0.000 0.478 285 T N -2.235 112.183 114.554 -0.227 0.000 3.086 285 T HA 0.137 4.487 4.350 -0.000 0.000 0.250 285 T C 1.394 176.011 174.700 -0.139 0.000 1.074 285 T CA 0.927 62.944 62.100 -0.138 0.000 0.988 285 T CB 0.169 68.982 68.868 -0.092 0.000 0.988 285 T HN 0.479 nan 8.240 nan 0.000 0.530 286 T N -1.868 112.576 114.554 -0.183 0.000 2.958 286 T HA 0.461 4.811 4.350 -0.000 0.000 0.256 286 T C 0.243 174.858 174.700 -0.141 0.000 0.983 286 T CA -0.554 61.458 62.100 -0.147 0.000 0.924 286 T CB 0.013 68.793 68.868 -0.145 0.000 1.136 286 T HN 0.351 nan 8.240 nan 0.000 0.506 287 M N 1.964 121.461 119.600 -0.171 0.000 2.528 287 M HA 0.491 4.971 4.480 -0.000 0.000 0.321 287 M C -1.156 175.067 176.300 -0.128 0.000 1.153 287 M CA -0.792 54.439 55.300 -0.115 0.000 0.951 287 M CB 2.033 34.582 32.600 -0.085 0.000 1.705 287 M HN -0.054 nan 8.290 nan 0.000 0.451 288 D N 1.389 121.741 120.400 -0.081 0.000 2.384 288 D HA 0.115 4.755 4.640 -0.000 0.000 0.244 288 D C -1.105 175.152 176.300 -0.071 0.000 1.251 288 D CA 0.418 54.356 54.000 -0.104 0.000 0.961 288 D CB 0.528 41.331 40.800 0.005 0.000 1.116 288 D HN 0.390 nan 8.370 nan 0.000 0.484 289 Y N 0.307 120.641 120.300 0.057 0.000 2.357 289 Y HA 0.209 4.759 4.550 -0.000 0.000 0.340 289 Y C -1.299 174.651 175.900 0.084 0.000 1.260 289 Y CA -1.291 56.857 58.100 0.081 0.000 1.425 289 Y CB -0.012 38.486 38.460 0.063 0.000 1.326 289 Y HN 0.203 nan 8.280 nan 0.000 0.580 290 P HA 0.117 nan 4.420 nan 0.000 0.277 290 P C -0.930 176.447 177.300 0.128 0.000 1.240 290 P CA -0.491 62.691 63.100 0.137 0.000 0.798 290 P CB 1.319 33.057 31.700 0.064 0.000 0.979 291 S N 1.584 117.321 115.700 0.062 0.000 2.652 291 S HA 0.264 4.734 4.470 -0.000 0.000 0.270 291 S C 1.671 176.253 174.600 -0.030 0.000 1.243 291 S CA -0.855 57.371 58.200 0.043 0.000 0.999 291 S CB 0.251 63.472 63.200 0.035 0.000 0.973 291 S HN 0.345 nan 8.310 nan 0.000 0.544 292 L N 1.008 122.208 121.223 -0.039 0.000 1.989 292 L HA -0.053 4.287 4.340 -0.000 0.000 0.211 292 L C 2.886 179.699 176.870 -0.095 0.000 1.071 292 L CA 1.718 56.494 54.840 -0.107 0.000 0.749 292 L CB -1.475 40.555 42.059 -0.048 0.000 0.890 292 L HN 0.990 nan 8.230 nan 0.000 0.431 293 G N -0.045 108.726 108.800 -0.048 0.000 2.440 293 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 293 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 293 G C 1.629 176.494 174.900 -0.058 0.000 1.154 293 G CA 0.507 45.580 45.100 -0.045 0.000 0.767 293 G HN 0.238 nan 8.290 nan 0.000 0.552 294 L N -0.200 120.991 121.223 -0.054 0.000 2.083 294 L HA 0.013 4.353 4.340 -0.000 0.000 0.209 294 L C 2.937 179.752 176.870 -0.091 0.000 1.083 294 L CA 1.230 56.036 54.840 -0.056 0.000 0.752 294 L CB -0.224 41.815 42.059 -0.032 0.000 0.899 294 L HN 0.314 nan 8.230 nan 0.000 0.433 295 M N -1.233 118.287 119.600 -0.132 0.000 2.099 295 M HA -0.186 4.294 4.480 -0.000 0.000 0.262 295 M C 2.123 178.323 176.300 -0.168 0.000 1.067 295 M CA 2.046 57.233 55.300 -0.188 0.000 1.124 295 M CB -0.577 31.839 32.600 -0.307 0.000 1.353 295 M HN 0.204 nan 8.290 nan 0.000 0.410 296 T N 0.080 114.547 114.554 -0.145 0.000 2.684 296 T HA -0.231 4.119 4.350 -0.000 0.000 0.267 296 T C 1.608 176.245 174.700 -0.104 0.000 1.036 296 T CA 1.856 63.884 62.100 -0.120 0.000 1.148 296 T CB -0.407 68.408 68.868 -0.089 0.000 0.863 296 T HN 0.498 nan 8.240 nan 0.000 0.436 297 E N 0.712 120.859 120.200 -0.088 0.000 2.058 297 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 297 E C 2.019 178.565 176.600 -0.091 0.000 0.997 297 E CA 1.079 57.433 56.400 -0.077 0.000 0.801 297 E CB 0.067 29.731 29.700 -0.061 0.000 0.746 297 E HN 0.191 nan 8.360 nan 0.000 0.450 298 K N 0.326 120.663 120.400 -0.104 0.000 2.155 298 K HA -0.053 4.267 4.320 -0.000 0.000 0.203 298 K C 2.250 178.762 176.600 -0.147 0.000 1.052 298 K CA 0.561 56.777 56.287 -0.119 0.000 0.948 298 K CB -0.235 32.192 32.500 -0.120 0.000 0.728 298 K HN 0.312 nan 8.250 nan 0.000 0.448 299 L N 0.768 121.898 121.223 -0.155 0.000 2.141 299 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 299 L C 2.214 178.991 176.870 -0.154 0.000 1.094 299 L CA 0.859 55.594 54.840 -0.175 0.000 0.763 299 L CB -0.252 41.702 42.059 -0.176 0.000 0.908 299 L HN 0.062 nan 8.230 nan 0.000 0.437 300 S N -0.884 114.741 115.700 -0.124 0.000 2.362 300 S HA -0.196 4.274 4.470 -0.000 0.000 0.221 300 S C 1.810 176.349 174.600 -0.101 0.000 1.032 300 S CA 0.884 59.021 58.200 -0.104 0.000 0.973 300 S CB -0.088 63.062 63.200 -0.084 0.000 0.849 300 S HN 0.404 nan 8.310 nan 0.000 0.465 301 Q N 1.259 120.999 119.800 -0.100 0.000 2.002 301 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 301 Q C 1.143 177.079 176.000 -0.107 0.000 0.988 301 Q CA 1.286 57.034 55.803 -0.092 0.000 0.843 301 Q CB -0.057 28.629 28.738 -0.087 0.000 0.908 301 Q HN 0.172 nan 8.270 nan 0.000 0.420 302 K N 0.884 121.195 120.400 -0.149 0.000 2.525 302 K HA -0.022 4.298 4.320 -0.000 0.000 0.192 302 K C 0.002 176.487 176.600 -0.193 0.000 1.029 302 K CA 0.288 56.456 56.287 -0.198 0.000 1.029 302 K CB -0.556 31.764 32.500 -0.299 0.000 0.814 302 K HN 0.361 nan 8.250 nan 0.000 0.503 303 N N 0.969 119.581 118.700 -0.146 0.000 2.586 303 N HA -0.192 4.548 4.740 -0.000 0.000 0.282 303 N C -1.440 173.999 175.510 -0.119 0.000 1.171 303 N CA 0.410 53.394 53.050 -0.110 0.000 0.733 303 N CB -0.924 37.522 38.487 -0.069 0.000 0.910 303 N HN 0.227 nan 8.380 nan 0.000 0.548 304 I N 1.094 121.546 120.570 -0.197 0.000 2.582 304 I HA 0.308 4.478 4.170 -0.000 0.000 0.292 304 I C -0.264 175.753 176.117 -0.167 0.000 1.066 304 I CA -0.940 60.215 61.300 -0.241 0.000 1.053 304 I CB 1.925 39.653 38.000 -0.453 0.000 1.241 304 I HN 0.216 nan 8.210 nan 0.000 0.421 305 N N 5.138 123.771 118.700 -0.112 0.000 2.479 305 N HA 0.429 5.169 4.740 -0.000 0.000 0.285 305 N C -1.067 174.387 175.510 -0.093 0.000 1.075 305 N CA -0.539 52.455 53.050 -0.094 0.000 0.967 305 N CB 2.521 40.975 38.487 -0.054 0.000 1.137 305 N HN 0.282 nan 8.380 nan 0.000 0.472 306 L N 3.125 124.252 121.223 -0.161 0.000 2.307 306 L HA 0.578 4.918 4.340 -0.000 0.000 0.284 306 L C -0.859 175.837 176.870 -0.290 0.000 1.023 306 L CA -0.409 54.288 54.840 -0.239 0.000 0.810 306 L CB 0.924 42.741 42.059 -0.403 0.000 1.231 306 L HN 0.440 nan 8.230 nan 0.000 0.423 307 I N 5.139 125.602 120.570 -0.179 0.000 2.447 307 I HA 0.288 4.458 4.170 -0.000 0.000 0.287 307 I C -1.150 175.002 176.117 0.058 0.000 1.023 307 I CA -0.474 60.776 61.300 -0.084 0.000 1.083 307 I CB 1.442 39.478 38.000 0.060 0.000 1.245 307 I HN 0.370 nan 8.210 nan 0.000 0.434 308 F N 4.919 124.980 119.950 0.186 0.000 2.390 308 F HA 0.443 4.970 4.527 -0.000 0.000 0.361 308 F C 0.763 176.648 175.800 0.143 0.000 1.124 308 F CA -1.031 57.096 58.000 0.212 0.000 1.149 308 F CB 1.226 40.361 39.000 0.224 0.000 1.160 308 F HN 0.429 nan 8.300 nan 0.000 0.501 309 A N 4.803 127.816 122.820 0.322 0.000 2.838 309 A HA 0.630 4.950 4.320 -0.000 0.000 0.337 309 A C -0.469 177.155 177.584 0.067 0.000 1.383 309 A CA -0.513 51.631 52.037 0.178 0.000 0.985 309 A CB -0.299 18.811 19.000 0.183 0.000 1.157 309 A HN 0.601 nan 8.150 nan 0.000 0.497 310 V N 0.298 120.232 119.914 0.033 0.000 2.881 310 V HA 0.858 4.978 4.120 -0.000 0.000 0.316 310 V C 0.384 176.482 176.094 0.006 0.000 1.070 310 V CA -0.181 62.080 62.300 -0.065 0.000 0.976 310 V CB 1.099 32.796 31.823 -0.209 0.000 1.038 310 V HN 0.809 nan 8.190 nan 0.000 0.446 311 T N -0.064 114.490 114.554 -0.001 0.000 2.856 311 T HA 0.204 4.554 4.350 -0.000 0.000 0.306 311 T C 1.000 175.730 174.700 0.050 0.000 1.062 311 T CA 0.659 62.776 62.100 0.027 0.000 1.083 311 T CB 0.852 69.731 68.868 0.018 0.000 0.984 311 T HN 1.204 nan 8.240 nan 0.000 0.542 312 E N 1.912 122.142 120.200 0.050 0.000 2.097 312 E HA -0.327 4.023 4.350 -0.000 0.000 0.196 312 E C 1.773 178.407 176.600 0.057 0.000 1.000 312 E CA 2.052 58.484 56.400 0.055 0.000 0.804 312 E CB -0.611 29.116 29.700 0.046 0.000 0.740 312 E HN 0.777 nan 8.360 nan 0.000 0.454 313 N N 0.821 119.551 118.700 0.050 0.000 2.364 313 N HA -0.144 4.596 4.740 -0.000 0.000 0.183 313 N C 1.329 176.876 175.510 0.062 0.000 1.022 313 N CA 1.459 54.537 53.050 0.047 0.000 0.883 313 N CB -0.028 38.482 38.487 0.038 0.000 0.965 313 N HN 0.266 nan 8.380 nan 0.000 0.438 314 V N 0.570 120.540 119.914 0.094 0.000 3.085 314 V HA 0.166 4.286 4.120 -0.000 0.000 0.345 314 V C 1.533 177.763 176.094 0.226 0.000 1.397 314 V CA -0.138 62.256 62.300 0.157 0.000 1.165 314 V CB 0.177 32.131 31.823 0.218 0.000 1.153 314 V HN -0.001 nan 8.190 nan 0.000 0.495 315 V N 1.107 121.111 119.914 0.150 0.000 2.270 315 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 315 V C 2.314 178.494 176.094 0.144 0.000 1.043 315 V CA 2.468 64.865 62.300 0.162 0.000 1.014 315 V CB -0.541 31.349 31.823 0.113 0.000 0.645 315 V HN 0.646 nan 8.190 nan 0.000 0.447 316 N N 0.206 118.950 118.700 0.074 0.000 2.205 316 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 316 N C 1.530 177.016 175.510 -0.041 0.000 1.015 316 N CA 1.189 54.252 53.050 0.023 0.000 0.862 316 N CB -0.579 37.905 38.487 -0.004 0.000 0.986 316 N HN 0.383 nan 8.380 nan 0.000 0.429 317 L N -0.078 121.104 121.223 -0.068 0.000 1.976 317 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 317 L C 1.580 178.206 176.870 -0.406 0.000 1.071 317 L CA 1.705 56.368 54.840 -0.295 0.000 0.746 317 L CB -0.910 40.986 42.059 -0.272 0.000 0.890 317 L HN 0.147 nan 8.230 nan 0.000 0.432 318 Y N -0.587 119.700 120.300 -0.021 0.000 2.421 318 Y HA -0.156 4.394 4.550 -0.000 0.000 0.292 318 Y C 2.727 178.741 175.900 0.190 0.000 1.136 318 Y CA 1.290 59.438 58.100 0.080 0.000 1.255 318 Y CB -0.294 38.138 38.460 -0.047 0.000 0.991 318 Y HN 0.389 nan 8.280 nan 0.000 0.552 319 Q N 0.045 119.975 119.800 0.216 0.000 2.046 319 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 319 Q C 1.735 177.805 176.000 0.117 0.000 0.975 319 Q CA 1.416 57.329 55.803 0.182 0.000 0.836 319 Q CB -0.047 28.759 28.738 0.113 0.000 0.896 319 Q HN 0.418 nan 8.270 nan 0.000 0.428 320 N N -0.526 118.167 118.700 -0.011 0.000 2.364 320 N HA -0.149 4.591 4.740 -0.000 0.000 0.183 320 N C 1.058 176.568 175.510 -0.001 0.000 1.022 320 N CA 0.977 53.986 53.050 -0.068 0.000 0.883 320 N CB -0.132 38.233 38.487 -0.204 0.000 0.965 320 N HN 0.306 nan 8.380 nan 0.000 0.438 321 Y N 0.781 121.110 120.300 0.048 0.000 2.516 321 Y HA 0.124 4.674 4.550 -0.000 0.000 0.291 321 Y C 2.351 178.357 175.900 0.177 0.000 1.131 321 Y CA 0.000 58.150 58.100 0.083 0.000 1.281 321 Y CB -0.259 38.222 38.460 0.035 0.000 1.013 321 Y HN -0.004 nan 8.280 nan 0.000 0.554 322 S N -0.031 115.884 115.700 0.359 0.000 2.355 322 S HA -0.150 4.320 4.470 -0.000 0.000 0.222 322 S C 1.861 176.545 174.600 0.140 0.000 1.031 322 S CA 1.384 59.738 58.200 0.257 0.000 0.993 322 S CB -0.181 63.155 63.200 0.226 0.000 0.859 322 S HN 0.545 nan 8.310 nan 0.000 0.453 323 E N 1.665 121.933 120.200 0.113 0.000 2.209 323 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 323 E C 1.769 178.406 176.600 0.063 0.000 0.993 323 E CA 0.751 57.192 56.400 0.069 0.000 0.819 323 E CB -0.525 29.205 29.700 0.051 0.000 0.745 323 E HN 0.487 nan 8.360 nan 0.000 0.477 324 L N 0.384 121.663 121.223 0.093 0.000 2.418 324 L HA 0.151 4.491 4.340 -0.000 0.000 0.218 324 L C 1.221 178.116 176.870 0.042 0.000 1.125 324 L CA 0.390 55.275 54.840 0.075 0.000 0.835 324 L CB 0.013 42.142 42.059 0.118 0.000 0.953 324 L HN -0.017 nan 8.230 nan 0.000 0.454 325 I N 0.517 121.114 120.570 0.046 0.000 2.668 325 I HA 0.272 4.442 4.170 -0.000 0.000 0.276 325 I C -2.429 173.679 176.117 -0.016 0.000 1.139 325 I CA -1.850 59.445 61.300 -0.010 0.000 1.133 325 I CB 1.034 39.013 38.000 -0.036 0.000 1.327 325 I HN -0.267 nan 8.210 nan 0.000 0.520 326 P HA 0.059 nan 4.420 nan 0.000 0.261 326 P C 1.014 178.287 177.300 -0.044 0.000 1.183 326 P CA 0.935 64.022 63.100 -0.022 0.000 0.761 326 P CB 0.625 32.312 31.700 -0.022 0.000 0.785 327 G N 1.619 110.396 108.800 -0.039 0.000 2.201 327 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.212 327 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.212 327 G C 0.218 175.074 174.900 -0.073 0.000 0.994 327 G CA 0.103 45.170 45.100 -0.055 0.000 0.644 327 G HN 0.749 nan 8.290 nan 0.000 0.508 328 T N 0.237 114.743 114.554 -0.080 0.000 2.882 328 T HA 0.672 5.022 4.350 -0.000 0.000 0.287 328 T C 0.157 174.823 174.700 -0.057 0.000 0.992 328 T CA 0.548 62.565 62.100 -0.139 0.000 1.076 328 T CB 1.985 70.708 68.868 -0.242 0.000 0.961 328 T HN 1.132 nan 8.240 nan 0.000 0.490 329 T N -0.508 114.005 114.554 -0.069 0.000 2.887 329 T HA 0.658 5.008 4.350 -0.000 0.000 0.288 329 T C -0.575 174.184 174.700 0.099 0.000 1.021 329 T CA -0.875 61.243 62.100 0.030 0.000 1.000 329 T CB 1.450 70.335 68.868 0.028 0.000 1.034 329 T HN 0.605 nan 8.240 nan 0.000 0.467 330 V N 1.474 121.494 119.914 0.177 0.000 2.417 330 V HA 0.802 4.922 4.120 -0.000 0.000 0.291 330 V C 0.627 176.830 176.094 0.182 0.000 1.024 330 V CA -0.635 61.820 62.300 0.259 0.000 0.861 330 V CB 1.411 33.425 31.823 0.319 0.000 0.985 330 V HN 1.268 nan 8.190 nan 0.000 0.436 331 G N 2.306 111.215 108.800 0.182 0.000 2.530 331 G HA2 0.524 4.484 3.960 -0.000 0.000 0.316 331 G HA3 0.524 4.484 3.960 -0.000 0.000 0.316 331 G C -0.898 174.076 174.900 0.123 0.000 1.298 331 G CA -0.694 44.485 45.100 0.133 0.000 0.948 331 G HN 0.678 nan 8.290 nan 0.000 0.486 332 V N 4.604 124.577 119.914 0.098 0.000 2.446 332 V HA 0.356 4.476 4.120 -0.000 0.000 0.276 332 V C 0.236 176.372 176.094 0.070 0.000 1.030 332 V CA -0.599 61.750 62.300 0.082 0.000 1.033 332 V CB 0.405 32.271 31.823 0.072 0.000 0.993 332 V HN 0.659 nan 8.190 nan 0.000 0.477 333 L N 7.888 129.148 121.223 0.063 0.000 2.380 333 L HA 0.726 5.066 4.340 -0.000 0.000 0.273 333 L C 0.220 177.120 176.870 0.050 0.000 1.138 333 L CA 1.580 56.452 54.840 0.054 0.000 0.832 333 L CB 1.140 43.221 42.059 0.038 0.000 1.124 333 L HN 1.093 nan 8.230 nan 0.000 0.454 334 S N 3.430 119.163 115.700 0.055 0.000 2.655 334 S HA 0.271 4.741 4.470 -0.000 0.000 0.273 334 S C 0.501 175.159 174.600 0.096 0.000 1.177 334 S CA -0.400 57.843 58.200 0.072 0.000 0.918 334 S CB 0.178 63.418 63.200 0.067 0.000 1.217 334 S HN 0.594 nan 8.310 nan 0.000 0.492 335 M N 0.676 120.364 119.600 0.147 0.000 2.374 335 M HA 0.105 4.585 4.480 -0.000 0.000 0.264 335 M C 0.012 176.413 176.300 0.168 0.000 1.067 335 M CA 1.179 56.629 55.300 0.250 0.000 1.103 335 M CB -0.870 31.901 32.600 0.285 0.000 1.402 335 M HN 0.611 nan 8.290 nan 0.000 0.444 336 D N 0.195 120.656 120.400 0.102 0.000 2.359 336 D HA 0.183 4.823 4.640 -0.000 0.000 0.230 336 D C 0.408 176.735 176.300 0.046 0.000 1.118 336 D CA 0.006 54.049 54.000 0.071 0.000 0.844 336 D CB 1.040 41.876 40.800 0.060 0.000 1.059 336 D HN -0.062 nan 8.370 nan 0.000 0.493 337 S N 1.029 116.745 115.700 0.027 0.000 2.515 337 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 337 S C 1.958 176.567 174.600 0.015 0.000 0.987 337 S CA 0.071 58.275 58.200 0.007 0.000 0.936 337 S CB 0.068 63.254 63.200 -0.024 0.000 0.766 337 S HN 0.451 nan 8.310 nan 0.000 0.528 338 S N 3.180 118.894 115.700 0.023 0.000 2.404 338 S HA -0.260 4.210 4.470 -0.000 0.000 0.230 338 S C 1.935 176.553 174.600 0.030 0.000 1.046 338 S CA 1.583 59.798 58.200 0.024 0.000 1.135 338 S CB -0.740 62.476 63.200 0.028 0.000 1.056 338 S HN 0.625 nan 8.310 nan 0.000 0.426 339 N N 1.169 119.892 118.700 0.038 0.000 2.069 339 N HA -0.120 4.620 4.740 -0.000 0.000 0.191 339 N C 1.715 177.256 175.510 0.053 0.000 1.031 339 N CA 1.727 54.805 53.050 0.046 0.000 0.852 339 N CB -0.375 38.144 38.487 0.053 0.000 1.018 339 N HN 0.310 nan 8.380 nan 0.000 0.423 340 V N 1.126 121.072 119.914 0.054 0.000 2.358 340 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 340 V C 2.468 178.591 176.094 0.049 0.000 1.047 340 V CA 0.890 63.228 62.300 0.064 0.000 1.035 340 V CB -0.465 31.400 31.823 0.070 0.000 0.658 340 V HN 0.175 nan 8.190 nan 0.000 0.452 341 L N -0.267 120.972 121.223 0.028 0.000 2.083 341 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 341 L C 2.548 179.431 176.870 0.021 0.000 1.083 341 L CA 1.657 56.505 54.840 0.012 0.000 0.752 341 L CB -1.009 41.047 42.059 -0.005 0.000 0.899 341 L HN 0.281 nan 8.230 nan 0.000 0.433 342 Q N -0.538 119.279 119.800 0.029 0.000 2.135 342 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 342 Q C 2.303 178.328 176.000 0.042 0.000 0.981 342 Q CA 1.384 57.207 55.803 0.033 0.000 0.856 342 Q CB -0.304 28.455 28.738 0.035 0.000 0.902 342 Q HN 0.486 nan 8.270 nan 0.000 0.425 343 L N -0.122 121.130 121.223 0.049 0.000 2.275 343 L HA -0.131 4.209 4.340 -0.000 0.000 0.215 343 L C 2.025 178.929 176.870 0.057 0.000 1.119 343 L CA 0.232 55.105 54.840 0.054 0.000 0.790 343 L CB -0.259 41.837 42.059 0.062 0.000 0.919 343 L HN 0.179 nan 8.230 nan 0.000 0.443 344 I N -0.838 119.764 120.570 0.053 0.000 2.333 344 I HA -0.149 4.021 4.170 -0.000 0.000 0.246 344 I C 2.471 178.631 176.117 0.072 0.000 1.106 344 I CA 1.099 62.433 61.300 0.057 0.000 1.411 344 I CB -0.675 37.342 38.000 0.028 0.000 1.082 344 I HN 0.039 nan 8.210 nan 0.000 0.420 345 V N 1.078 121.026 119.914 0.057 0.000 2.307 345 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 345 V C 2.076 178.236 176.094 0.110 0.000 1.045 345 V CA 1.734 64.079 62.300 0.075 0.000 1.024 345 V CB -0.727 31.122 31.823 0.043 0.000 0.651 345 V HN 0.269 nan 8.190 nan 0.000 0.449 346 D N 0.572 121.018 120.400 0.077 0.000 2.221 346 D HA -0.117 4.523 4.640 -0.000 0.000 0.204 346 D C 2.123 178.463 176.300 0.066 0.000 0.982 346 D CA 1.528 55.567 54.000 0.065 0.000 0.857 346 D CB -0.244 40.585 40.800 0.047 0.000 0.934 346 D HN 0.463 nan 8.370 nan 0.000 0.475 347 A N -0.288 122.580 122.820 0.080 0.000 1.897 347 A HA -0.169 4.151 4.320 -0.000 0.000 0.215 347 A C 2.125 179.760 177.584 0.085 0.000 1.181 347 A CA 0.822 52.898 52.037 0.065 0.000 0.620 347 A CB -0.904 18.140 19.000 0.072 0.000 0.821 347 A HN 0.272 nan 8.150 nan 0.000 0.443 348 Y N 0.901 121.209 120.300 0.012 0.000 2.242 348 Y HA -0.016 4.534 4.550 -0.000 0.000 0.291 348 Y C 2.259 178.182 175.900 0.039 0.000 1.137 348 Y CA 1.157 59.276 58.100 0.032 0.000 1.181 348 Y CB -0.457 38.036 38.460 0.055 0.000 0.989 348 Y HN 0.258 nan 8.280 nan 0.000 0.527 349 G N -0.674 108.203 108.800 0.128 0.000 3.061 349 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.208 349 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.208 349 G C 1.328 176.221 174.900 -0.012 0.000 1.175 349 G CA 0.167 45.303 45.100 0.059 0.000 0.812 349 G HN 0.358 nan 8.290 nan 0.000 0.523 350 K N -0.499 119.865 120.400 -0.060 0.000 2.412 350 K HA 0.262 4.582 4.320 -0.000 0.000 0.202 350 K C 0.330 176.833 176.600 -0.161 0.000 1.102 350 K CA -0.305 55.932 56.287 -0.083 0.000 1.027 350 K CB 0.751 33.216 32.500 -0.059 0.000 0.931 350 K HN 0.255 nan 8.250 nan 0.000 0.557 351 I N 2.833 123.240 120.570 -0.271 0.000 2.505 351 I HA 0.028 4.198 4.170 -0.000 0.000 0.287 351 I C -0.195 175.649 176.117 -0.455 0.000 1.104 351 I CA 0.036 61.059 61.300 -0.462 0.000 1.387 351 I CB 0.177 37.704 38.000 -0.789 0.000 1.404 351 I HN -0.170 nan 8.210 nan 0.000 0.528 352 R N 4.719 125.016 120.500 -0.338 0.000 2.409 352 R HA 0.355 4.695 4.340 -0.000 0.000 0.313 352 R C -0.405 175.787 176.300 -0.180 0.000 0.953 352 R CA -0.509 55.474 56.100 -0.194 0.000 0.849 352 R CB 1.715 31.954 30.300 -0.102 0.000 1.171 352 R HN 0.739 nan 8.270 nan 0.000 0.458 353 S N 1.659 117.314 115.700 -0.076 0.000 2.693 353 S HA 0.705 5.175 4.470 -0.000 0.000 0.276 353 S C -0.588 174.058 174.600 0.076 0.000 1.192 353 S CA -0.862 57.344 58.200 0.010 0.000 0.994 353 S CB 1.459 64.768 63.200 0.181 0.000 1.012 353 S HN 0.407 nan 8.310 nan 0.000 0.550 354 K N 0.088 120.553 120.400 0.109 0.000 2.464 354 K HA 0.625 4.945 4.320 -0.000 0.000 0.253 354 K C -1.791 174.954 176.600 0.242 0.000 0.933 354 K CA -0.890 55.480 56.287 0.137 0.000 0.801 354 K CB 2.068 34.613 32.500 0.076 0.000 1.271 354 K HN 0.353 nan 8.250 nan 0.000 0.430 355 V N 2.441 122.495 119.914 0.234 0.000 2.304 355 V HA 0.218 4.338 4.120 -0.000 0.000 0.269 355 V C -0.651 175.532 176.094 0.148 0.000 1.036 355 V CA -0.532 61.907 62.300 0.232 0.000 0.840 355 V CB 0.533 32.484 31.823 0.214 0.000 1.036 355 V HN 0.708 nan 8.190 nan 0.000 0.466 356 E N 5.256 125.503 120.200 0.079 0.000 2.141 356 E HA 0.449 4.799 4.350 -0.000 0.000 0.259 356 E C -0.875 175.653 176.600 -0.119 0.000 0.883 356 E CA -0.550 55.840 56.400 -0.017 0.000 0.744 356 E CB 1.973 31.676 29.700 0.005 0.000 1.150 356 E HN 0.566 nan 8.360 nan 0.000 0.420 357 L N 3.691 124.741 121.223 -0.289 0.000 2.410 357 L HA 0.144 4.484 4.340 -0.000 0.000 0.273 357 L C 0.521 177.243 176.870 -0.248 0.000 1.152 357 L CA 0.275 54.906 54.840 -0.349 0.000 0.855 357 L CB 0.080 41.772 42.059 -0.611 0.000 1.129 357 L HN 0.577 nan 8.230 nan 0.000 0.463 358 E N 2.469 122.590 120.200 -0.133 0.000 2.234 358 E HA 0.471 4.821 4.350 -0.000 0.000 0.266 358 E C -1.363 175.235 176.600 -0.003 0.000 0.877 358 E CA -0.956 55.401 56.400 -0.072 0.000 0.758 358 E CB 2.145 31.825 29.700 -0.034 0.000 1.170 358 E HN 0.195 nan 8.360 nan 0.000 0.415 359 V N 4.079 124.005 119.914 0.020 0.000 2.389 359 V HA 0.223 4.343 4.120 -0.000 0.000 0.264 359 V C 0.210 176.343 176.094 0.064 0.000 1.049 359 V CA -0.370 61.980 62.300 0.084 0.000 0.932 359 V CB 0.188 32.058 31.823 0.079 0.000 1.011 359 V HN 0.618 nan 8.190 nan 0.000 0.475 360 R N 4.160 124.725 120.500 0.107 0.000 2.349 360 R HA 0.288 4.628 4.340 -0.000 0.000 0.299 360 R C -0.217 176.151 176.300 0.114 0.000 1.027 360 R CA -0.675 55.479 56.100 0.090 0.000 0.958 360 R CB 0.717 31.070 30.300 0.089 0.000 1.047 360 R HN 0.897 nan 8.270 nan 0.000 0.468 361 D N 2.361 122.801 120.400 0.068 0.000 7.523 361 D HA -0.234 4.406 4.640 -0.000 0.000 0.161 361 D C -0.638 175.704 176.300 0.069 0.000 1.058 361 D CA 0.618 54.653 54.000 0.059 0.000 0.928 361 D CB -0.199 40.636 40.800 0.057 0.000 1.565 361 D HN 0.155 nan 8.370 nan 0.000 0.890 362 L N 2.605 123.793 121.223 -0.059 0.000 2.381 362 L HA 0.583 4.923 4.340 -0.000 0.000 0.268 362 L C -2.607 174.194 176.870 -0.114 0.000 0.997 362 L CA -1.699 53.008 54.840 -0.221 0.000 0.818 362 L CB 1.863 43.645 42.059 -0.462 0.000 1.310 362 L HN -0.000 nan 8.230 nan 0.000 0.416 363 P HA 0.158 nan 4.420 nan 0.000 0.271 363 P C -0.922 176.361 177.300 -0.030 0.000 1.216 363 P CA -0.127 62.956 63.100 -0.028 0.000 0.776 363 P CB 0.492 32.195 31.700 0.006 0.000 0.881 364 E N 2.420 122.614 120.200 -0.012 0.000 2.594 364 E HA -0.017 4.333 4.350 -0.000 0.000 0.300 364 E C -0.127 176.478 176.600 0.010 0.000 1.568 364 E CA 0.089 56.484 56.400 -0.008 0.000 1.811 364 E CB -0.293 29.403 29.700 -0.006 0.000 1.458 364 E HN 0.495 nan 8.360 nan 0.000 0.470 365 E N 0.827 121.041 120.200 0.023 0.000 3.042 365 E HA 0.130 4.480 4.350 -0.000 0.000 0.144 365 E C -0.532 176.109 176.600 0.067 0.000 0.893 365 E CA -0.216 56.213 56.400 0.048 0.000 1.422 365 E CB -0.019 29.727 29.700 0.078 0.000 0.997 365 E HN 0.128 nan 8.360 nan 0.000 0.420 366 L N 2.108 123.349 121.223 0.030 0.000 2.676 366 L HA 0.319 4.659 4.340 -0.000 0.000 0.262 366 L C -0.967 175.880 176.870 -0.040 0.000 0.965 366 L CA -0.259 54.597 54.840 0.026 0.000 0.920 366 L CB 1.670 43.771 42.059 0.069 0.000 1.260 366 L HN 0.301 nan 8.230 nan 0.000 0.422 367 S N 4.380 120.062 115.700 -0.031 0.000 2.730 367 S HA 0.851 5.321 4.470 -0.000 0.000 0.284 367 S C -0.606 173.953 174.600 -0.069 0.000 1.153 367 S CA -0.812 57.360 58.200 -0.047 0.000 0.995 367 S CB 2.060 65.245 63.200 -0.026 0.000 1.058 367 S HN 0.524 nan 8.310 nan 0.000 0.552 368 L N 0.827 122.003 121.223 -0.079 0.000 2.422 368 L HA 0.566 4.906 4.340 -0.000 0.000 0.264 368 L C -0.607 176.145 176.870 -0.196 0.000 0.984 368 L CA -0.634 54.098 54.840 -0.181 0.000 0.819 368 L CB 2.559 44.472 42.059 -0.245 0.000 1.330 368 L HN 0.693 nan 8.230 nan 0.000 0.410 369 S N 1.194 116.690 115.700 -0.339 0.000 2.501 369 S HA 0.759 5.229 4.470 -0.000 0.000 0.301 369 S C -1.056 173.282 174.600 -0.438 0.000 1.096 369 S CA -0.416 57.648 58.200 -0.225 0.000 1.063 369 S CB 1.338 64.449 63.200 -0.149 0.000 1.042 369 S HN 0.244 nan 8.310 nan 0.000 0.494 370 F N 1.819 121.756 119.950 -0.021 0.000 2.551 370 F HA 0.551 5.078 4.527 -0.000 0.000 0.316 370 F C 0.128 175.947 175.800 0.031 0.000 1.089 370 F CA -0.788 57.219 58.000 0.011 0.000 0.915 370 F CB 1.824 40.848 39.000 0.040 0.000 1.186 370 F HN 0.364 nan 8.300 nan 0.000 0.456 371 N N 1.584 120.435 118.700 0.250 0.000 2.533 371 N HA 0.623 5.363 4.740 -0.000 0.000 0.289 371 N C -1.401 174.194 175.510 0.142 0.000 1.103 371 N CA -0.437 52.696 53.050 0.138 0.000 0.877 371 N CB 1.901 40.415 38.487 0.045 0.000 1.419 371 N HN 0.700 nan 8.380 nan 0.000 0.517 372 A N 1.201 124.065 122.820 0.072 0.000 2.325 372 A HA 0.765 5.085 4.320 -0.000 0.000 0.333 372 A C -0.385 177.079 177.584 -0.200 0.000 1.155 372 A CA -0.383 51.562 52.037 -0.153 0.000 0.814 372 A CB 0.696 19.617 19.000 -0.131 0.000 1.206 372 A HN 0.424 nan 8.150 nan 0.000 0.482 373 T N 2.150 116.507 114.554 -0.327 0.000 3.155 373 T HA 0.317 4.667 4.350 -0.000 0.000 0.384 373 T C 0.155 174.712 174.700 -0.238 0.000 1.351 373 T CA -0.322 61.653 62.100 -0.209 0.000 1.198 373 T CB -0.372 68.403 68.868 -0.154 0.000 1.106 373 T HN 0.720 nan 8.240 nan 0.000 0.564 374 c N 1.636 120.129 118.600 -0.180 0.000 2.894 374 c HA 0.174 4.744 4.570 -0.000 0.000 0.266 374 c C 2.344 176.382 174.090 -0.087 0.000 1.773 374 c CA -0.462 55.785 56.329 -0.137 0.000 1.953 374 c CB -0.541 41.919 42.510 -0.085 0.000 1.978 374 c HN 0.789 nan 8.230 nan 0.000 0.615 375 L N 2.033 123.225 121.223 -0.052 0.000 2.131 375 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 375 L C 2.251 179.104 176.870 -0.028 0.000 1.092 375 L CA 1.609 56.430 54.840 -0.031 0.000 0.759 375 L CB -0.953 41.098 42.059 -0.013 0.000 0.903 375 L HN 0.695 nan 8.230 nan 0.000 0.435 376 N N 0.163 118.845 118.700 -0.030 0.000 2.515 376 N HA -0.149 4.591 4.740 -0.000 0.000 0.191 376 N C -0.188 175.304 175.510 -0.030 0.000 1.182 376 N CA 0.361 53.396 53.050 -0.025 0.000 0.879 376 N CB -0.980 37.494 38.487 -0.022 0.000 0.984 376 N HN 0.391 nan 8.380 nan 0.000 0.453 377 N N 0.842 119.518 118.700 -0.040 0.000 2.686 377 N HA -0.221 4.519 4.740 -0.000 0.000 0.261 377 N C -1.095 174.392 175.510 -0.039 0.000 1.001 377 N CA 0.756 53.779 53.050 -0.044 0.000 0.764 377 N CB -0.787 37.681 38.487 -0.032 0.000 0.898 377 N HN 0.620 nan 8.380 nan 0.000 0.544 378 E N 0.209 120.381 120.200 -0.045 0.000 2.234 378 E HA 0.351 4.701 4.350 -0.000 0.000 0.266 378 E C -0.680 175.894 176.600 -0.043 0.000 0.877 378 E CA -0.881 55.497 56.400 -0.036 0.000 0.758 378 E CB 1.356 31.039 29.700 -0.028 0.000 1.170 378 E HN 0.039 nan 8.360 nan 0.000 0.415 379 V N 6.197 126.091 119.914 -0.033 0.000 2.450 379 V HA 0.096 4.216 4.120 -0.000 0.000 0.281 379 V C 0.232 176.315 176.094 -0.019 0.000 1.019 379 V CA 0.497 62.779 62.300 -0.029 0.000 1.062 379 V CB -0.202 31.609 31.823 -0.020 0.000 0.979 379 V HN 0.536 nan 8.190 nan 0.000 0.477 380 I N 7.671 128.231 120.570 -0.016 0.000 2.390 380 I HA 0.356 4.526 4.170 -0.000 0.000 0.283 380 I C -2.470 173.663 176.117 0.025 0.000 1.016 380 I CA -2.024 59.277 61.300 0.000 0.000 1.151 380 I CB 1.805 39.802 38.000 -0.005 0.000 1.293 380 I HN 0.413 nan 8.210 nan 0.000 0.458 381 P HA 0.140 nan 4.420 nan 0.000 0.268 381 P C 1.011 178.346 177.300 0.058 0.000 1.204 381 P CA 0.601 63.725 63.100 0.040 0.000 0.768 381 P CB 0.980 32.694 31.700 0.024 0.000 0.842 382 G N 1.906 110.761 108.800 0.091 0.000 2.396 382 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.242 382 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.242 382 G C 0.005 174.969 174.900 0.107 0.000 1.069 382 G CA 0.094 45.257 45.100 0.105 0.000 0.633 382 G HN 0.601 nan 8.290 nan 0.000 0.517 383 L N 1.755 123.030 121.223 0.087 0.000 2.416 383 L HA 0.610 4.950 4.340 -0.000 0.000 0.272 383 L C 1.125 178.065 176.870 0.117 0.000 1.161 383 L CA 1.045 55.926 54.840 0.069 0.000 0.845 383 L CB 0.805 42.896 42.059 0.053 0.000 1.119 383 L HN 0.464 nan 8.230 nan 0.000 0.464 384 K N 1.467 121.887 120.400 0.033 0.000 3.012 384 K HA 0.442 4.762 4.320 -0.000 0.000 0.207 384 K C -0.862 175.772 176.600 0.056 0.000 1.130 384 K CA -0.347 55.938 56.287 -0.003 0.000 1.021 384 K CB 0.250 32.366 32.500 -0.639 0.000 0.736 384 K HN 0.403 nan 8.250 nan 0.000 0.448 385 S N 0.944 116.752 115.700 0.180 0.000 2.680 385 S HA 0.272 4.742 4.470 -0.000 0.000 0.262 385 S C -0.996 173.689 174.600 0.143 0.000 1.138 385 S CA -0.673 57.614 58.200 0.145 0.000 1.072 385 S CB 0.977 64.198 63.200 0.034 0.000 1.097 385 S HN 0.363 nan 8.310 nan 0.000 0.468 386 c N 4.309 123.020 118.600 0.186 0.000 2.341 386 c HA 0.713 5.283 4.570 -0.000 0.000 0.338 386 c C 0.260 174.398 174.090 0.081 0.000 1.257 386 c CA -0.564 55.815 56.329 0.084 0.000 1.883 386 c CB -0.045 42.477 42.510 0.021 0.000 2.334 386 c HN 0.800 nan 8.230 nan 0.000 0.524 387 M N 1.674 121.300 119.600 0.044 0.000 2.591 387 M HA 0.614 5.094 4.480 -0.000 0.000 0.306 387 M C 0.646 176.960 176.300 0.023 0.000 1.190 387 M CA 0.001 55.323 55.300 0.037 0.000 0.889 387 M CB 1.990 34.602 32.600 0.020 0.000 1.728 387 M HN 0.904 nan 8.290 nan 0.000 0.458 388 G N 1.128 109.940 108.800 0.020 0.000 2.135 388 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.183 388 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.183 388 G C -0.639 174.279 174.900 0.030 0.000 1.004 388 G CA -0.776 44.330 45.100 0.011 0.000 0.677 388 G HN 0.449 nan 8.290 nan 0.000 0.512 389 L N -0.033 121.225 121.223 0.059 0.000 2.436 389 L HA 0.594 4.934 4.340 -0.000 0.000 0.265 389 L C 0.946 177.892 176.870 0.126 0.000 1.168 389 L CA 0.539 55.437 54.840 0.096 0.000 0.815 389 L CB 0.751 42.899 42.059 0.148 0.000 1.109 389 L HN 0.320 nan 8.230 nan 0.000 0.462 390 K N 1.319 121.796 120.400 0.128 0.000 2.149 390 K HA 0.571 4.891 4.320 -0.000 0.000 0.241 390 K C -0.804 175.849 176.600 0.089 0.000 1.083 390 K CA -1.079 55.297 56.287 0.148 0.000 0.885 390 K CB 1.237 33.786 32.500 0.082 0.000 1.374 390 K HN 0.198 nan 8.250 nan 0.000 0.511 391 I N 1.816 122.390 120.570 0.006 0.000 2.416 391 I HA 0.087 4.257 4.170 -0.000 0.000 0.288 391 I C 1.207 177.313 176.117 -0.018 0.000 1.051 391 I CA 1.021 62.262 61.300 -0.097 0.000 1.375 391 I CB -0.156 37.777 38.000 -0.112 0.000 1.407 391 I HN 1.052 nan 8.210 nan 0.000 0.516 392 G N 5.569 114.362 108.800 -0.012 0.000 2.241 392 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 392 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 392 G C 0.148 175.063 174.900 0.026 0.000 0.998 392 G CA -0.305 44.802 45.100 0.011 0.000 0.621 392 G HN 0.523 nan 8.290 nan 0.000 0.519 393 D N 1.635 122.058 120.400 0.037 0.000 2.443 393 D HA 0.497 5.137 4.640 -0.000 0.000 0.239 393 D C 0.522 176.848 176.300 0.044 0.000 1.136 393 D CA 1.082 55.107 54.000 0.040 0.000 0.879 393 D CB 0.865 41.696 40.800 0.051 0.000 1.195 393 D HN 0.183 nan 8.370 nan 0.000 0.443 394 T N 1.089 115.659 114.554 0.025 0.000 2.824 394 T HA 0.567 4.917 4.350 -0.000 0.000 0.282 394 T C -0.374 174.321 174.700 -0.008 0.000 0.993 394 T CA -0.693 61.417 62.100 0.017 0.000 0.967 394 T CB 1.498 70.373 68.868 0.011 0.000 0.960 394 T HN -0.005 nan 8.240 nan 0.000 0.441 395 V N 2.803 122.707 119.914 -0.016 0.000 2.735 395 V HA 0.760 4.880 4.120 -0.000 0.000 0.310 395 V C -0.314 175.706 176.094 -0.123 0.000 1.061 395 V CA -0.851 61.391 62.300 -0.096 0.000 0.913 395 V CB 2.392 34.151 31.823 -0.106 0.000 1.005 395 V HN 1.090 nan 8.190 nan 0.000 0.428 396 S N 3.074 118.624 115.700 -0.250 0.000 2.536 396 S HA 0.887 5.357 4.470 -0.000 0.000 0.298 396 S C -1.146 173.214 174.600 -0.400 0.000 1.083 396 S CA -0.603 57.493 58.200 -0.174 0.000 0.995 396 S CB 1.786 64.945 63.200 -0.069 0.000 1.058 396 S HN 0.323 nan 8.310 nan 0.000 0.488 397 F N 0.433 120.404 119.950 0.034 0.000 2.598 397 F HA 0.779 5.306 4.527 -0.000 0.000 0.327 397 F C 0.555 176.374 175.800 0.032 0.000 1.057 397 F CA -0.768 57.267 58.000 0.059 0.000 0.957 397 F CB 2.333 41.402 39.000 0.116 0.000 1.278 397 F HN 0.646 nan 8.300 nan 0.000 0.484 398 S N 1.562 117.389 115.700 0.212 0.000 2.733 398 S HA 0.775 5.245 4.470 -0.000 0.000 0.294 398 S C -1.311 173.202 174.600 -0.146 0.000 1.149 398 S CA -0.343 57.863 58.200 0.009 0.000 1.034 398 S CB 0.297 63.487 63.200 -0.015 0.000 1.015 398 S HN 0.406 nan 8.310 nan 0.000 0.486 399 I N 3.259 123.552 120.570 -0.461 0.000 2.603 399 I HA 0.586 4.756 4.170 -0.000 0.000 0.300 399 I C -0.022 175.549 176.117 -0.911 0.000 1.017 399 I CA -0.430 60.386 61.300 -0.806 0.000 1.098 399 I CB 1.943 39.365 38.000 -0.963 0.000 1.279 399 I HN 0.600 nan 8.210 nan 0.000 0.437 400 E N 3.529 123.354 120.200 -0.625 0.000 2.241 400 E HA 0.767 5.117 4.350 -0.000 0.000 0.263 400 E C -1.503 174.963 176.600 -0.224 0.000 0.882 400 E CA -0.856 55.321 56.400 -0.372 0.000 0.769 400 E CB 1.634 31.201 29.700 -0.222 0.000 1.185 400 E HN 0.780 nan 8.360 nan 0.000 0.415 401 A N 4.710 127.502 122.820 -0.047 0.000 2.306 401 A HA 0.576 4.896 4.320 -0.000 0.000 0.314 401 A C -0.696 176.910 177.584 0.036 0.000 1.164 401 A CA -0.543 51.530 52.037 0.060 0.000 0.822 401 A CB 0.988 20.144 19.000 0.259 0.000 1.130 401 A HN 0.550 nan 8.150 nan 0.000 0.496 402 K N 1.786 122.197 120.400 0.018 0.000 2.513 402 K HA 0.544 4.864 4.320 -0.000 0.000 0.251 402 K C -1.224 175.378 176.600 0.003 0.000 0.939 402 K CA -0.565 55.722 56.287 0.000 0.000 0.793 402 K CB 1.928 34.416 32.500 -0.020 0.000 1.241 402 K HN 0.756 nan 8.250 nan 0.000 0.431 403 V N 0.958 120.858 119.914 -0.022 0.000 2.532 403 V HA 0.564 4.684 4.120 -0.000 0.000 0.295 403 V C -0.143 175.920 176.094 -0.051 0.000 1.041 403 V CA -0.943 61.336 62.300 -0.035 0.000 0.926 403 V CB 1.416 33.147 31.823 -0.153 0.000 0.992 403 V HN 0.841 nan 8.190 nan 0.000 0.457 404 R N 2.866 123.353 120.500 -0.022 0.000 2.391 404 R HA 0.551 4.891 4.340 -0.000 0.000 0.310 404 R C 0.744 177.026 176.300 -0.030 0.000 1.174 404 R CA 0.939 57.027 56.100 -0.021 0.000 1.118 404 R CB -0.140 30.160 30.300 -0.001 0.000 1.134 404 R HN 1.596 nan 8.270 nan 0.000 0.524 405 G N 1.665 110.428 108.800 -0.061 0.000 2.488 405 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.237 405 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.237 405 G C -0.836 173.982 174.900 -0.137 0.000 1.209 405 G CA -0.153 44.906 45.100 -0.068 0.000 0.929 405 G HN 0.616 nan 8.290 nan 0.000 0.578 406 c N 2.076 120.618 118.600 -0.098 0.000 3.430 406 c HA 0.587 5.157 4.570 -0.000 0.000 0.268 406 c C -1.942 172.187 174.090 0.065 0.000 1.101 406 c CA -0.819 55.418 56.329 -0.153 0.000 1.286 406 c CB -0.609 41.792 42.510 -0.182 0.000 1.795 406 c HN 0.702 nan 8.230 nan 0.000 0.569 407 P HA 0.069 nan 4.420 nan 0.000 0.269 407 P C 0.842 178.280 177.300 0.229 0.000 1.211 407 P CA 0.425 63.665 63.100 0.233 0.000 0.781 407 P CB 0.648 32.503 31.700 0.259 0.000 0.877 408 Q N 0.140 120.008 119.800 0.113 0.000 2.170 408 Q HA -0.120 4.220 4.340 -0.000 0.000 0.203 408 Q C 0.110 176.132 176.000 0.036 0.000 0.976 408 Q CA 0.965 56.809 55.803 0.069 0.000 0.858 408 Q CB -0.091 28.668 28.738 0.035 0.000 0.907 408 Q HN 0.538 nan 8.270 nan 0.000 0.433 409 E N 1.251 121.447 120.200 -0.007 0.000 2.417 409 E HA -0.059 4.291 4.350 -0.000 0.000 0.261 409 E C 0.127 176.607 176.600 -0.201 0.000 1.000 409 E CA 0.485 56.814 56.400 -0.118 0.000 0.919 409 E CB 0.840 30.423 29.700 -0.195 0.000 0.955 409 E HN 0.152 nan 8.360 nan 0.000 0.455 410 K N 1.861 122.161 120.400 -0.167 0.000 2.450 410 K HA 0.001 4.321 4.320 -0.000 0.000 0.206 410 K C -0.187 176.293 176.600 -0.199 0.000 1.148 410 K CA 0.096 56.315 56.287 -0.114 0.000 1.014 410 K CB 0.718 33.237 32.500 0.031 0.000 0.966 410 K HN 0.193 nan 8.250 nan 0.000 0.566 411 E N 1.293 121.371 120.200 -0.204 0.000 2.325 411 E HA 0.284 4.634 4.350 -0.000 0.000 0.248 411 E C -1.395 175.103 176.600 -0.170 0.000 0.912 411 E CA -0.473 55.831 56.400 -0.160 0.000 0.782 411 E CB 0.790 30.437 29.700 -0.089 0.000 1.264 411 E HN -0.109 nan 8.360 nan 0.000 0.417 412 K N 1.164 121.451 120.400 -0.189 0.000 2.318 412 K HA 0.733 5.053 4.320 -0.000 0.000 0.265 412 K C -1.164 175.392 176.600 -0.073 0.000 1.055 412 K CA -0.729 55.483 56.287 -0.125 0.000 0.896 412 K CB 1.487 33.899 32.500 -0.147 0.000 1.479 412 K HN 0.598 nan 8.250 nan 0.000 0.449 413 S N -0.755 114.941 115.700 -0.007 0.000 2.595 413 S HA 0.796 5.266 4.470 -0.000 0.000 0.270 413 S C -1.268 173.405 174.600 0.122 0.000 1.145 413 S CA -0.999 57.183 58.200 -0.030 0.000 0.825 413 S CB 1.099 64.237 63.200 -0.104 0.000 1.107 413 S HN 0.543 nan 8.310 nan 0.000 0.461 414 F N -1.754 118.178 119.950 -0.029 0.000 2.741 414 F HA 0.892 5.419 4.527 -0.000 0.000 0.313 414 F C -1.110 174.688 175.800 -0.004 0.000 1.153 414 F CA -0.873 57.122 58.000 -0.009 0.000 0.931 414 F CB 1.161 40.167 39.000 0.010 0.000 1.335 414 F HN 0.626 nan 8.300 nan 0.000 0.460 415 T N 2.151 116.854 114.554 0.247 0.000 2.863 415 T HA 0.713 5.063 4.350 -0.000 0.000 0.285 415 T C -0.873 173.960 174.700 0.221 0.000 1.009 415 T CA -0.480 61.695 62.100 0.124 0.000 0.989 415 T CB 1.733 70.639 68.868 0.064 0.000 1.004 415 T HN 0.603 nan 8.240 nan 0.000 0.455 416 I N 3.355 124.016 120.570 0.152 0.000 2.439 416 I HA 0.411 4.581 4.170 -0.000 0.000 0.283 416 I C -0.292 175.858 176.117 0.056 0.000 1.023 416 I CA -0.799 60.593 61.300 0.154 0.000 1.100 416 I CB 1.395 39.537 38.000 0.237 0.000 1.238 416 I HN 0.537 nan 8.210 nan 0.000 0.445 417 K N 7.846 128.262 120.400 0.027 0.000 2.375 417 K HA 0.680 5.000 4.320 -0.000 0.000 0.249 417 K C -3.028 173.552 176.600 -0.033 0.000 0.942 417 K CA -1.850 54.435 56.287 -0.003 0.000 0.806 417 K CB 2.748 35.268 32.500 0.033 0.000 1.227 417 K HN 0.072 nan 8.250 nan 0.000 0.430 418 P HA 0.022 nan 4.420 nan 0.000 0.282 418 P C -0.045 177.347 177.300 0.153 0.000 1.262 418 P CA -0.419 62.646 63.100 -0.059 0.000 0.773 418 P CB 1.061 32.580 31.700 -0.302 0.000 0.879 419 V N 3.963 123.942 119.914 0.109 0.000 2.506 419 V HA 0.170 4.290 4.120 -0.000 0.000 0.296 419 V C 1.826 178.038 176.094 0.197 0.000 1.004 419 V CA 2.120 64.491 62.300 0.119 0.000 1.150 419 V CB -0.677 31.179 31.823 0.056 0.000 0.911 419 V HN 1.077 nan 8.190 nan 0.000 0.476 420 G N 4.684 113.571 108.800 0.145 0.000 2.491 420 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.203 420 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.203 420 G C -0.115 174.766 174.900 -0.031 0.000 1.052 420 G CA -0.388 44.730 45.100 0.029 0.000 0.675 420 G HN 0.495 nan 8.290 nan 0.000 0.504 421 F N 1.662 121.625 119.950 0.022 0.000 2.375 421 F HA 0.625 5.152 4.527 -0.000 0.000 0.333 421 F C 1.568 177.378 175.800 0.017 0.000 1.104 421 F CA -0.294 57.720 58.000 0.023 0.000 1.149 421 F CB 1.261 40.276 39.000 0.025 0.000 1.190 421 F HN -0.083 nan 8.300 nan 0.000 0.533 422 K N 0.153 120.663 120.400 0.183 0.000 2.400 422 K HA 0.017 4.337 4.320 -0.000 0.000 0.194 422 K C -0.148 176.515 176.600 0.104 0.000 1.033 422 K CA 0.234 56.587 56.287 0.110 0.000 1.021 422 K CB -0.078 32.462 32.500 0.068 0.000 0.808 422 K HN 0.689 nan 8.250 nan 0.000 0.505 423 D N 0.371 120.853 120.400 0.137 0.000 2.274 423 D HA 0.087 4.727 4.640 -0.000 0.000 0.256 423 D C 0.475 176.807 176.300 0.053 0.000 1.274 423 D CA 0.349 54.398 54.000 0.083 0.000 0.998 423 D CB 0.573 41.420 40.800 0.078 0.000 1.139 423 D HN 0.094 nan 8.370 nan 0.000 0.540 424 S N -1.444 114.268 115.700 0.020 0.000 2.654 424 S HA 0.502 4.972 4.470 -0.000 0.000 0.267 424 S C -2.203 172.391 174.600 -0.011 0.000 1.151 424 S CA -1.072 57.132 58.200 0.006 0.000 0.873 424 S CB 0.641 63.849 63.200 0.013 0.000 1.181 424 S HN 0.517 nan 8.310 nan 0.000 0.489 425 L N 0.852 122.066 121.223 -0.015 0.000 2.541 425 L HA 0.657 4.997 4.340 -0.000 0.000 0.266 425 L C -1.821 174.995 176.870 -0.089 0.000 0.966 425 L CA -0.569 54.247 54.840 -0.040 0.000 0.871 425 L CB 0.940 42.996 42.059 -0.005 0.000 1.232 425 L HN 0.840 nan 8.230 nan 0.000 0.408 426 I N 5.516 126.006 120.570 -0.133 0.000 2.325 426 I HA 0.426 4.596 4.170 -0.000 0.000 0.291 426 I C -0.417 175.502 176.117 -0.331 0.000 1.019 426 I CA -0.854 60.325 61.300 -0.203 0.000 1.302 426 I CB 1.601 39.514 38.000 -0.145 0.000 1.401 426 I HN 0.293 nan 8.210 nan 0.000 0.485 427 V N 6.622 126.194 119.914 -0.569 0.000 2.334 427 V HA 0.219 4.339 4.120 -0.000 0.000 0.281 427 V C -0.062 175.670 176.094 -0.603 0.000 1.016 427 V CA -0.664 61.208 62.300 -0.713 0.000 0.832 427 V CB 1.067 32.217 31.823 -1.122 0.000 0.999 427 V HN 0.697 nan 8.190 nan 0.000 0.439 428 Q N 3.636 123.223 119.800 -0.354 0.000 2.406 428 Q HA 0.379 4.719 4.340 -0.000 0.000 0.242 428 Q C -0.522 175.384 176.000 -0.157 0.000 1.036 428 Q CA -0.414 55.255 55.803 -0.223 0.000 0.904 428 Q CB 1.664 30.306 28.738 -0.160 0.000 1.244 428 Q HN 0.635 nan 8.270 nan 0.000 0.478 429 V N 2.979 122.830 119.914 -0.104 0.000 2.521 429 V HA 0.101 4.221 4.120 -0.000 0.000 0.286 429 V C 0.351 176.432 176.094 -0.021 0.000 1.034 429 V CA 0.101 62.400 62.300 -0.002 0.000 1.045 429 V CB 0.968 32.835 31.823 0.074 0.000 0.974 429 V HN 0.689 nan 8.190 nan 0.000 0.480 430 T N 6.249 120.841 114.554 0.064 0.000 2.977 430 T HA 0.451 4.801 4.350 -0.000 0.000 0.346 430 T C -0.228 174.614 174.700 0.237 0.000 1.140 430 T CA -0.301 61.843 62.100 0.074 0.000 1.040 430 T CB -0.019 68.867 68.868 0.029 0.000 1.046 430 T HN 0.254 nan 8.240 nan 0.000 0.494 431 F N 2.285 122.231 119.950 -0.007 0.000 2.480 431 F HA 0.378 4.905 4.527 -0.000 0.000 0.319 431 F C 1.129 176.918 175.800 -0.018 0.000 1.230 431 F CA -0.546 57.449 58.000 -0.008 0.000 1.285 431 F CB 0.400 39.398 39.000 -0.003 0.000 1.208 431 F HN 0.435 nan 8.300 nan 0.000 0.579 432 D N 0.187 120.650 120.400 0.105 0.000 2.752 432 D HA 0.165 4.805 4.640 -0.000 0.000 0.242 432 D C -0.511 175.770 176.300 -0.032 0.000 1.295 432 D CA -0.184 53.832 54.000 0.026 0.000 0.846 432 D CB -0.188 40.609 40.800 -0.004 0.000 1.454 432 D HN 0.425 nan 8.370 nan 0.000 0.535 433 c N 0.799 119.390 118.600 -0.015 0.000 2.559 433 c HA 0.401 4.971 4.570 -0.000 0.000 0.300 433 c C 0.681 174.747 174.090 -0.041 0.000 1.288 433 c CA -0.684 55.619 56.329 -0.044 0.000 1.699 433 c CB -0.864 41.628 42.510 -0.029 0.000 1.819 433 c HN 0.357 nan 8.230 nan 0.000 0.600 434 D N -1.172 119.207 120.400 -0.035 0.000 2.552 434 D HA 0.454 5.094 4.640 -0.000 0.000 0.239 434 D C -0.468 175.804 176.300 -0.046 0.000 1.139 434 D CA -0.115 53.856 54.000 -0.048 0.000 0.914 434 D CB 2.417 43.196 40.800 -0.035 0.000 1.461 434 D HN 0.170 nan 8.370 nan 0.000 0.462 435 c N 0.407 118.969 118.600 -0.063 0.000 1.709 435 c HA 0.838 5.408 4.570 -0.000 0.000 0.229 435 c C 0.816 174.890 174.090 -0.027 0.000 3.002 435 c CA -0.501 55.802 56.329 -0.042 0.000 1.897 435 c CB -0.501 41.966 42.510 -0.072 0.000 2.506 435 c HN 0.685 nan 8.230 nan 0.000 0.288 436 A N -0.330 122.483 122.820 -0.012 0.000 2.287 436 A HA 0.384 4.704 4.320 -0.000 0.000 0.273 436 A C 0.741 178.309 177.584 -0.026 0.000 1.091 436 A CA 0.043 52.079 52.037 -0.002 0.000 0.817 436 A CB -0.126 18.888 19.000 0.022 0.000 1.069 436 A HN 1.347 nan 8.150 nan 0.000 0.492 437 C N 1.513 120.801 119.300 -0.021 0.000 3.090 437 C HA 0.294 4.754 4.460 -0.000 0.000 0.493 437 C C 0.394 175.361 174.990 -0.038 0.000 1.258 437 C CA -0.467 58.530 59.018 -0.036 0.000 1.415 437 C CB -2.922 24.804 27.740 -0.023 0.000 1.640 437 C HN 0.671 nan 8.230 nan 0.000 0.619 438 Q N 1.401 121.170 119.800 -0.052 0.000 2.260 438 Q HA 0.728 5.068 4.340 -0.000 0.000 0.242 438 Q C -0.117 175.828 176.000 -0.092 0.000 0.932 438 Q CA 0.347 56.136 55.803 -0.023 0.000 0.891 438 Q CB 1.467 30.246 28.738 0.067 0.000 1.222 438 Q HN 0.793 nan 8.270 nan 0.000 0.453 439 A N 1.291 124.110 122.820 -0.002 0.000 2.580 439 A HA 0.321 4.641 4.320 -0.000 0.000 0.301 439 A C -1.438 176.196 177.584 0.083 0.000 1.054 439 A CA -0.967 51.067 52.037 -0.005 0.000 0.751 439 A CB 1.117 20.078 19.000 -0.064 0.000 1.275 439 A HN 0.475 nan 8.150 nan 0.000 0.403 440 Q N 0.000 119.885 119.800 0.141 0.000 2.315 440 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 440 Q CA 0.000 55.878 55.803 0.125 0.000 1.022 440 Q CB 0.000 28.837 28.738 0.165 0.000 1.108 440 Q HN 0.000 nan 8.270 nan 0.000 0.481