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 2azr_1_A DATA FIRST_RESID 2 DATA SEQUENCE EMEKEFEQID KSGSWAAIYQ DIRHEASDFP CRVAKLPKNK NRNRYRDVSP DATA SEQUENCE FDHSRIKLHQ EDNDYINASL IKMEEAQRSY ILTQGPLPNT CGHFWEMVWE DATA SEQUENCE QKSRGVVMLN RVMEKGSLKC AQYWPQKEEK EMIFEDTNLK LTLISEDIKS DATA SEQUENCE YYTVRQLELE NLTTQETREI LHFHYTTWPD FGVPESPASF LNFLFKVRES DATA SEQUENCE GSLSPEHGPV VVHCSAGIGR SGTFCLADTC LLLMDKRKDP SSVDIKKVLL DATA SEQUENCE EMRKFRMGLI QTADQLRFSY LAVIEGAKFI MGDSSVQDQW KELSHED 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.675 176.600 0.125 0.000 1.382 2 E CA 0.000 56.447 56.400 0.079 0.000 0.976 2 E CB 0.000 29.738 29.700 0.063 0.000 0.812 3 M N 2.135 121.814 119.600 0.132 0.000 2.108 3 M HA -0.069 4.411 4.480 0.001 0.000 0.261 3 M C 1.549 178.042 176.300 0.323 0.000 1.066 3 M CA 1.898 57.336 55.300 0.231 0.000 1.107 3 M CB -0.246 32.401 32.600 0.079 0.000 1.356 3 M HN 0.491 nan 8.290 nan 0.000 0.406 4 E N 0.864 121.182 120.200 0.197 0.000 2.106 4 E HA -0.136 4.214 4.350 0.001 0.000 0.192 4 E C 1.976 178.709 176.600 0.221 0.000 0.984 4 E CA 1.123 57.637 56.400 0.189 0.000 0.806 4 E CB 0.132 29.887 29.700 0.092 0.000 0.750 4 E HN 0.588 nan 8.360 nan 0.000 0.458 5 K N 0.431 120.927 120.400 0.159 0.000 2.025 5 K HA -0.159 4.162 4.320 0.001 0.000 0.207 5 K C 2.220 178.891 176.600 0.118 0.000 1.049 5 K CA 1.198 57.557 56.287 0.120 0.000 0.933 5 K CB -0.110 32.438 32.500 0.079 0.000 0.714 5 K HN 0.148 nan 8.250 nan 0.000 0.438 6 E N 0.410 120.695 120.200 0.141 0.000 2.085 6 E HA -0.221 4.129 4.350 0.001 0.000 0.194 6 E C 1.887 178.507 176.600 0.033 0.000 0.994 6 E CA 1.075 57.526 56.400 0.086 0.000 0.801 6 E CB -0.102 29.695 29.700 0.162 0.000 0.743 6 E HN 0.205 nan 8.360 nan 0.000 0.453 7 F N 1.893 121.878 119.950 0.057 0.000 2.065 7 F HA -0.221 4.306 4.527 0.001 0.000 0.298 7 F C 2.061 177.892 175.800 0.051 0.000 1.112 7 F CA 2.090 60.133 58.000 0.072 0.000 1.212 7 F CB -0.072 39.067 39.000 0.232 0.000 0.975 7 F HN 0.022 nan 8.300 nan 0.000 0.476 8 E N -0.462 119.863 120.200 0.208 0.000 2.110 8 E HA -0.298 4.053 4.350 0.001 0.000 0.193 8 E C 2.189 178.751 176.600 -0.062 0.000 0.988 8 E CA 1.283 57.734 56.400 0.085 0.000 0.804 8 E CB -0.348 29.438 29.700 0.142 0.000 0.745 8 E HN 0.578 nan 8.360 nan 0.000 0.458 9 Q N 0.545 120.298 119.800 -0.078 0.000 2.124 9 Q HA -0.178 4.163 4.340 0.001 0.000 0.202 9 Q C 2.043 177.893 176.000 -0.250 0.000 0.977 9 Q CA 1.258 56.984 55.803 -0.130 0.000 0.850 9 Q CB 0.043 28.720 28.738 -0.102 0.000 0.901 9 Q HN 0.317 nan 8.270 nan 0.000 0.429 10 I N 0.076 120.389 120.570 -0.428 0.000 2.333 10 I HA -0.183 3.987 4.170 0.001 0.000 0.246 10 I C 1.667 177.435 176.117 -0.582 0.000 1.106 10 I CA 0.719 61.587 61.300 -0.720 0.000 1.411 10 I CB -0.187 36.925 38.000 -1.480 0.000 1.082 10 I HN 0.113 nan 8.210 nan 0.000 0.420 11 D N 1.200 121.366 120.400 -0.390 0.000 2.104 11 D HA -0.211 4.430 4.640 0.001 0.000 0.194 11 D C 2.129 178.368 176.300 -0.101 0.000 0.994 11 D CA 1.266 55.183 54.000 -0.138 0.000 0.830 11 D CB -0.074 40.635 40.800 -0.153 0.000 0.959 11 D HN 0.154 nan 8.370 nan 0.000 0.452 12 K N 0.164 120.497 120.400 -0.112 0.000 2.057 12 K HA -0.112 4.209 4.320 0.001 0.000 0.207 12 K C 1.880 178.434 176.600 -0.077 0.000 1.049 12 K CA 1.605 57.850 56.287 -0.070 0.000 0.931 12 K CB -0.004 32.461 32.500 -0.059 0.000 0.714 12 K HN 0.161 nan 8.250 nan 0.000 0.440 13 S N -0.838 114.792 115.700 -0.117 0.000 2.562 13 S HA 0.098 4.568 4.470 0.001 0.000 0.221 13 S C 1.063 175.603 174.600 -0.100 0.000 0.975 13 S CA 0.344 58.480 58.200 -0.107 0.000 0.918 13 S CB 0.139 63.261 63.200 -0.130 0.000 0.772 13 S HN 0.483 nan 8.310 nan 0.000 0.531 14 G N 1.847 110.583 108.800 -0.106 0.000 2.338 14 G HA2 -0.246 3.715 3.960 0.001 0.000 0.296 14 G HA3 -0.246 3.715 3.960 0.001 0.000 0.296 14 G C 0.262 175.124 174.900 -0.064 0.000 1.040 14 G CA 0.373 45.445 45.100 -0.047 0.000 1.004 14 G HN 1.319 nan 8.290 nan 0.000 0.509 15 S N -2.295 113.286 115.700 -0.198 0.000 2.624 15 S HA 0.287 4.758 4.470 0.001 0.000 0.246 15 S C 1.227 175.699 174.600 -0.214 0.000 1.072 15 S CA 0.108 58.196 58.200 -0.187 0.000 1.045 15 S CB -0.136 62.932 63.200 -0.219 0.000 0.851 15 S HN 0.512 nan 8.310 nan 0.000 0.480 16 W N 1.882 123.134 121.300 -0.080 0.000 2.358 16 W HA 0.031 4.691 4.660 0.001 0.000 0.303 16 W C 2.676 179.210 176.519 0.025 0.000 1.208 16 W CA 1.018 58.326 57.345 -0.062 0.000 1.274 16 W CB -0.369 29.032 29.460 -0.098 0.000 1.138 16 W HN 0.524 nan 8.180 nan 0.000 0.515 17 A N 0.548 123.512 122.820 0.241 0.000 1.883 17 A HA -0.171 4.150 4.320 0.001 0.000 0.217 17 A C 2.053 179.741 177.584 0.173 0.000 1.186 17 A CA 2.660 54.821 52.037 0.207 0.000 0.624 17 A CB -1.364 17.715 19.000 0.132 0.000 0.822 17 A HN 0.222 nan 8.150 nan 0.000 0.444 18 A N -0.175 122.693 122.820 0.079 0.000 1.877 18 A HA -0.052 4.269 4.320 0.001 0.000 0.216 18 A C 2.055 179.656 177.584 0.028 0.000 1.186 18 A CA 1.585 53.638 52.037 0.026 0.000 0.620 18 A CB -0.508 18.475 19.000 -0.027 0.000 0.822 18 A HN 0.410 nan 8.150 nan 0.000 0.443 19 I N -1.422 119.158 120.570 0.015 0.000 2.163 19 I HA -0.242 3.929 4.170 0.001 0.000 0.243 19 I C 2.438 178.645 176.117 0.150 0.000 1.085 19 I CA 1.775 63.090 61.300 0.025 0.000 1.347 19 I CB -1.423 36.522 38.000 -0.093 0.000 1.044 19 I HN 0.573 nan 8.210 nan 0.000 0.408 20 Y N 2.189 122.560 120.300 0.120 0.000 2.181 20 Y HA -0.248 4.302 4.550 0.001 0.000 0.288 20 Y C 2.685 178.649 175.900 0.107 0.000 1.146 20 Y CA 1.645 59.833 58.100 0.146 0.000 1.164 20 Y CB -0.303 38.258 38.460 0.169 0.000 0.982 20 Y HN 0.192 nan 8.280 nan 0.000 0.515 21 Q N 0.369 120.162 119.800 -0.012 0.000 2.170 21 Q HA -0.174 4.167 4.340 0.001 0.000 0.203 21 Q C 1.787 177.745 176.000 -0.069 0.000 0.976 21 Q CA 1.595 57.339 55.803 -0.099 0.000 0.858 21 Q CB -0.478 28.262 28.738 0.003 0.000 0.907 21 Q HN 0.595 nan 8.270 nan 0.000 0.433 22 D N 0.510 120.892 120.400 -0.029 0.000 2.104 22 D HA -0.130 4.510 4.640 0.001 0.000 0.194 22 D C 2.061 178.373 176.300 0.020 0.000 0.994 22 D CA 0.844 54.840 54.000 -0.007 0.000 0.830 22 D CB -0.228 40.566 40.800 -0.010 0.000 0.959 22 D HN 0.259 nan 8.370 nan 0.000 0.452 23 I N 0.796 121.360 120.570 -0.010 0.000 2.208 23 I HA -0.253 3.917 4.170 0.001 0.000 0.245 23 I C 2.586 178.668 176.117 -0.059 0.000 1.097 23 I CA 1.065 62.360 61.300 -0.008 0.000 1.363 23 I CB -0.109 37.912 38.000 0.035 0.000 1.051 23 I HN -0.085 nan 8.210 nan 0.000 0.413 24 R N -0.556 119.838 120.500 -0.178 0.000 2.091 24 R HA -0.224 4.117 4.340 0.001 0.000 0.238 24 R C 2.446 178.720 176.300 -0.043 0.000 1.136 24 R CA 1.550 57.557 56.100 -0.155 0.000 0.959 24 R CB -0.746 29.404 30.300 -0.251 0.000 0.856 24 R HN 0.513 nan 8.270 nan 0.000 0.437 25 H N 1.223 120.237 119.070 -0.092 0.000 2.352 25 H HA -0.111 4.446 4.556 0.001 0.000 0.299 25 H C 1.181 176.477 175.328 -0.053 0.000 1.097 25 H CA 1.729 57.740 56.048 -0.061 0.000 1.311 25 H CB 0.292 30.023 29.762 -0.051 0.000 1.377 25 H HN 0.315 nan 8.280 nan 0.000 0.504 26 E N 0.396 120.622 120.200 0.043 0.000 2.435 26 E HA 0.162 4.512 4.350 0.001 0.000 0.195 26 E C 0.764 177.333 176.600 -0.052 0.000 1.029 26 E CA 0.077 56.476 56.400 -0.002 0.000 0.865 26 E CB 0.260 29.995 29.700 0.059 0.000 0.833 26 E HN 0.377 nan 8.360 nan 0.000 0.510 27 A N 1.492 124.285 122.820 -0.045 0.000 2.531 27 A HA 0.096 4.416 4.320 0.001 0.000 0.236 27 A C 0.449 177.979 177.584 -0.090 0.000 1.062 27 A CA -0.154 51.869 52.037 -0.025 0.000 0.760 27 A CB 0.326 19.334 19.000 0.012 0.000 0.995 27 A HN 0.056 nan 8.150 nan 0.000 0.501 28 S N 0.601 116.241 115.700 -0.100 0.000 2.573 28 S HA 0.248 4.718 4.470 0.001 0.000 0.277 28 S C -0.118 174.257 174.600 -0.374 0.000 1.346 28 S CA 0.186 58.182 58.200 -0.340 0.000 1.034 28 S CB 0.432 63.413 63.200 -0.364 0.000 0.879 28 S HN 0.730 nan 8.310 nan 0.000 0.528 29 D N 0.798 120.784 120.400 -0.690 0.000 2.473 29 D HA 0.505 5.145 4.640 0.001 0.000 0.253 29 D C -1.467 174.367 176.300 -0.777 0.000 1.233 29 D CA -0.351 53.360 54.000 -0.481 0.000 0.908 29 D CB 0.282 40.930 40.800 -0.253 0.000 1.170 29 D HN 0.183 nan 8.370 nan 0.000 0.558 30 F N 2.844 122.478 119.950 -0.528 0.000 2.579 30 F HA 0.579 5.107 4.527 0.001 0.000 0.324 30 F C -1.627 174.123 175.800 -0.084 0.000 1.058 30 F CA -1.971 55.760 58.000 -0.448 0.000 0.944 30 F CB 1.245 39.788 39.000 -0.761 0.000 1.245 30 F HN 0.104 nan 8.300 nan 0.000 0.477 31 P HA 0.118 nan 4.420 nan 0.000 0.271 31 P C -0.777 176.697 177.300 0.290 0.000 1.218 31 P CA -0.186 63.037 63.100 0.204 0.000 0.780 31 P CB 0.741 32.523 31.700 0.136 0.000 0.901 32 C N 3.118 122.559 119.300 0.235 0.000 2.808 32 C HA 0.287 4.748 4.460 0.001 0.000 0.261 32 C C 2.002 177.052 174.990 0.100 0.000 1.574 32 C CA -0.447 58.691 59.018 0.200 0.000 1.611 32 C CB -1.211 26.644 27.740 0.191 0.000 2.726 32 C HN 0.649 nan 8.230 nan 0.000 0.528 33 R N 0.478 121.029 120.500 0.084 0.000 2.073 33 R HA -0.094 4.247 4.340 0.001 0.000 0.234 33 R C 1.968 178.259 176.300 -0.014 0.000 1.134 33 R CA 1.391 57.512 56.100 0.034 0.000 0.952 33 R CB -0.280 30.043 30.300 0.039 0.000 0.850 33 R HN 0.475 nan 8.270 nan 0.000 0.433 34 V N 1.330 121.240 119.914 -0.006 0.000 2.295 34 V HA -0.255 3.866 4.120 0.001 0.000 0.246 34 V C 2.526 178.435 176.094 -0.308 0.000 1.049 34 V CA 1.983 64.235 62.300 -0.080 0.000 1.024 34 V CB -0.852 30.989 31.823 0.031 0.000 0.648 34 V HN 0.425 nan 8.190 nan 0.000 0.447 35 A N -0.583 122.069 122.820 -0.279 0.000 1.986 35 A HA -0.215 4.106 4.320 0.001 0.000 0.220 35 A C 2.107 179.502 177.584 -0.316 0.000 1.171 35 A CA 1.687 53.439 52.037 -0.475 0.000 0.640 35 A CB -0.331 18.659 19.000 -0.017 0.000 0.811 35 A HN 0.421 nan 8.150 nan 0.000 0.451 36 K N -0.402 119.905 120.400 -0.155 0.000 2.404 36 K HA 0.273 4.593 4.320 0.001 0.000 0.194 36 K C 0.117 176.661 176.600 -0.093 0.000 1.023 36 K CA -0.110 56.124 56.287 -0.089 0.000 1.094 36 K CB -0.304 32.180 32.500 -0.027 0.000 0.841 36 K HN 0.484 nan 8.250 nan 0.000 0.523 37 L N 2.269 123.411 121.223 -0.135 0.000 2.490 37 L HA -0.013 4.328 4.340 0.001 0.000 0.274 37 L C -1.130 175.686 176.870 -0.091 0.000 1.201 37 L CA -1.097 53.682 54.840 -0.101 0.000 0.869 37 L CB 0.090 42.083 42.059 -0.111 0.000 1.123 37 L HN -0.112 nan 8.230 nan 0.000 0.484 38 P HA -0.242 nan 4.420 nan 0.000 0.218 38 P C 1.155 178.433 177.300 -0.037 0.000 1.154 38 P CA 1.512 64.590 63.100 -0.037 0.000 0.872 38 P CB 0.040 31.727 31.700 -0.022 0.000 0.790 39 K N -1.626 118.750 120.400 -0.040 0.000 2.442 39 K HA -0.037 4.283 4.320 0.001 0.000 0.198 39 K C 1.016 177.598 176.600 -0.030 0.000 1.042 39 K CA 1.204 57.476 56.287 -0.025 0.000 0.958 39 K CB -0.471 32.019 32.500 -0.016 0.000 0.766 39 K HN 0.077 nan 8.250 nan 0.000 0.474 40 N N 1.195 119.844 118.700 -0.084 0.000 2.205 40 N HA 0.008 4.748 4.740 0.001 0.000 0.201 40 N C 0.887 176.362 175.510 -0.059 0.000 1.128 40 N CA 0.164 53.147 53.050 -0.111 0.000 0.867 40 N CB 0.561 38.796 38.487 -0.420 0.000 0.996 40 N HN 0.308 nan 8.380 nan 0.000 0.503 41 K N 1.861 122.237 120.400 -0.041 0.000 2.074 41 K HA -0.160 4.161 4.320 0.001 0.000 0.209 41 K C 1.152 177.759 176.600 0.012 0.000 1.048 41 K CA 1.683 57.961 56.287 -0.016 0.000 0.926 41 K CB 0.084 32.577 32.500 -0.012 0.000 0.713 41 K HN 0.175 nan 8.250 nan 0.000 0.444 42 N N 0.220 118.936 118.700 0.025 0.000 2.461 42 N HA -0.085 4.655 4.740 0.001 0.000 0.188 42 N C 0.722 176.272 175.510 0.066 0.000 1.134 42 N CA 0.578 53.649 53.050 0.035 0.000 0.878 42 N CB 0.024 38.531 38.487 0.033 0.000 0.972 42 N HN 0.206 nan 8.380 nan 0.000 0.456 43 R N -0.749 119.817 120.500 0.108 0.000 2.334 43 R HA 0.224 4.565 4.340 0.001 0.000 0.216 43 R C -0.473 175.931 176.300 0.173 0.000 0.905 43 R CA -0.118 56.090 56.100 0.180 0.000 1.064 43 R CB 0.114 30.602 30.300 0.313 0.000 1.046 43 R HN 0.168 nan 8.270 nan 0.000 0.508 44 N N 0.844 119.613 118.700 0.116 0.000 2.392 44 N HA 0.116 4.857 4.740 0.001 0.000 0.283 44 N C 0.156 175.658 175.510 -0.013 0.000 1.003 44 N CA -0.184 52.919 53.050 0.088 0.000 0.892 44 N CB 2.138 40.685 38.487 0.100 0.000 1.193 44 N HN 0.018 nan 8.380 nan 0.000 0.487 45 R N 1.949 122.401 120.500 -0.080 0.000 2.093 45 R HA 0.037 4.378 4.340 0.001 0.000 0.224 45 R C -0.380 175.621 176.300 -0.499 0.000 1.101 45 R CA 1.224 57.135 56.100 -0.316 0.000 0.979 45 R CB 0.233 30.286 30.300 -0.412 0.000 0.877 45 R HN 0.485 nan 8.270 nan 0.000 0.441 46 Y N -0.364 119.956 120.300 0.033 0.000 2.350 46 Y HA 0.329 4.880 4.550 0.002 0.000 0.338 46 Y C 0.776 176.697 175.900 0.036 0.000 0.961 46 Y CA -1.035 57.087 58.100 0.036 0.000 1.100 46 Y CB 1.551 40.034 38.460 0.037 0.000 1.179 46 Y HN -0.158 nan 8.280 nan 0.000 0.454 47 R N 0.798 121.402 120.500 0.173 0.000 2.117 47 R HA -0.171 4.169 4.340 0.001 0.000 0.243 47 R C -0.129 176.237 176.300 0.108 0.000 1.143 47 R CA 2.102 58.268 56.100 0.110 0.000 0.968 47 R CB 0.126 30.479 30.300 0.088 0.000 0.863 47 R HN 0.759 nan 8.270 nan 0.000 0.444 48 D N -0.357 120.121 120.400 0.130 0.000 2.342 48 D HA 0.098 4.738 4.640 0.001 0.000 0.221 48 D C -0.651 175.698 176.300 0.080 0.000 1.101 48 D CA 0.197 54.252 54.000 0.092 0.000 0.837 48 D CB 0.944 41.790 40.800 0.076 0.000 0.938 48 D HN -0.045 nan 8.370 nan 0.000 0.508 49 V N 0.814 120.794 119.914 0.110 0.000 2.380 49 V HA 0.394 4.515 4.120 0.001 0.000 0.286 49 V C -0.160 175.978 176.094 0.074 0.000 1.015 49 V CA -0.476 61.868 62.300 0.073 0.000 0.834 49 V CB 1.721 33.594 31.823 0.083 0.000 1.009 49 V HN -0.131 nan 8.190 nan 0.000 0.428 50 S N 6.061 121.774 115.700 0.021 0.000 2.549 50 S HA 0.694 5.165 4.470 0.001 0.000 0.280 50 S C -2.904 171.663 174.600 -0.056 0.000 1.109 50 S CA -1.117 57.109 58.200 0.043 0.000 0.905 50 S CB 2.871 66.114 63.200 0.071 0.000 1.081 50 S HN 0.580 nan 8.310 nan 0.000 0.477 51 P HA 0.339 nan 4.420 nan 0.000 0.279 51 P C -0.849 176.461 177.300 0.016 0.000 1.239 51 P CA -0.470 62.586 63.100 -0.074 0.000 0.789 51 P CB 0.157 31.863 31.700 0.009 0.000 0.933 52 F N 1.600 121.589 119.950 0.065 0.000 2.602 52 F HA -0.029 4.498 4.527 0.001 0.000 0.367 52 F C 1.894 177.698 175.800 0.007 0.000 1.126 52 F CA 0.422 58.460 58.000 0.063 0.000 1.321 52 F CB -0.522 38.500 39.000 0.036 0.000 1.094 52 F HN 0.331 nan 8.300 nan 0.000 0.594 53 D N 0.594 121.156 120.400 0.269 0.000 2.144 53 D HA -0.228 4.413 4.640 0.001 0.000 0.199 53 D C 2.007 178.372 176.300 0.107 0.000 0.984 53 D CA 2.142 56.239 54.000 0.163 0.000 0.834 53 D CB -0.463 40.424 40.800 0.144 0.000 0.955 53 D HN 0.813 nan 8.370 nan 0.000 0.465 54 H N 0.076 119.180 119.070 0.057 0.000 2.457 54 H HA 0.045 4.602 4.556 0.001 0.000 0.294 54 H C 1.455 176.811 175.328 0.046 0.000 1.064 54 H CA 1.748 57.780 56.048 -0.027 0.000 1.330 54 H CB -0.103 29.523 29.762 -0.227 0.000 1.395 54 H HN 0.057 nan 8.280 nan 0.000 0.541 55 S N 0.185 115.636 115.700 -0.414 0.000 2.629 55 S HA 0.148 4.619 4.470 0.001 0.000 0.236 55 S C 0.696 175.269 174.600 -0.044 0.000 1.010 55 S CA -0.796 57.288 58.200 -0.193 0.000 0.981 55 S CB -0.029 63.045 63.200 -0.209 0.000 0.919 55 S HN 0.618 nan 8.310 nan 0.000 0.514 56 R N 1.262 121.750 120.500 -0.021 0.000 2.594 56 R HA 0.362 4.702 4.340 0.001 0.000 0.272 56 R C -0.322 175.966 176.300 -0.021 0.000 1.074 56 R CA -0.586 55.509 56.100 -0.009 0.000 1.105 56 R CB 0.187 30.513 30.300 0.044 0.000 1.008 56 R HN 0.113 nan 8.270 nan 0.000 0.472 57 I N 2.753 123.284 120.570 -0.065 0.000 2.416 57 I HA 0.110 4.281 4.170 0.001 0.000 0.288 57 I C 0.408 176.480 176.117 -0.075 0.000 1.051 57 I CA -0.172 61.084 61.300 -0.073 0.000 1.375 57 I CB 0.896 38.823 38.000 -0.121 0.000 1.407 57 I HN 0.636 nan 8.210 nan 0.000 0.516 58 K N 6.847 127.239 120.400 -0.013 0.000 2.183 58 K HA 0.508 4.828 4.320 0.001 0.000 0.274 58 K C -0.531 176.081 176.600 0.021 0.000 1.009 58 K CA -0.720 55.578 56.287 0.019 0.000 0.888 58 K CB 1.623 34.169 32.500 0.077 0.000 1.078 58 K HN 0.411 nan 8.250 nan 0.000 0.459 59 L N 3.282 124.490 121.223 -0.024 0.000 2.426 59 L HA 0.107 4.448 4.340 0.001 0.000 0.271 59 L C 0.572 177.513 176.870 0.119 0.000 1.169 59 L CA -0.205 54.612 54.840 -0.039 0.000 0.836 59 L CB 0.115 42.127 42.059 -0.078 0.000 1.112 59 L HN 0.587 nan 8.230 nan 0.000 0.465 60 H N 2.680 121.759 119.070 0.014 0.000 2.970 60 H HA 0.138 4.694 4.556 0.001 0.000 0.226 60 H C -0.449 174.895 175.328 0.027 0.000 1.909 60 H CA -0.516 55.548 56.048 0.027 0.000 1.388 60 H CB -0.063 29.727 29.762 0.046 0.000 1.773 60 H HN 0.515 nan 8.280 nan 0.000 0.559 61 Q N -0.330 119.545 119.800 0.125 0.000 2.416 61 Q HA 0.287 4.627 4.340 0.001 0.000 0.281 61 Q C -0.185 175.847 176.000 0.054 0.000 1.067 61 Q CA -0.948 54.901 55.803 0.077 0.000 0.809 61 Q CB 1.787 30.560 28.738 0.059 0.000 1.418 61 Q HN 0.274 nan 8.270 nan 0.000 0.411 62 E N 1.006 121.232 120.200 0.044 0.000 2.170 62 E HA -0.146 4.204 4.350 0.001 0.000 0.191 62 E C 0.414 177.032 176.600 0.029 0.000 0.981 62 E CA 1.152 57.572 56.400 0.033 0.000 0.830 62 E CB 0.226 29.944 29.700 0.029 0.000 0.775 62 E HN 0.773 nan 8.360 nan 0.000 0.470 63 D N 1.038 121.456 120.400 0.031 0.000 2.106 63 D HA -0.136 4.504 4.640 0.001 0.000 0.194 63 D C 0.435 176.748 176.300 0.023 0.000 0.988 63 D CA 1.092 55.109 54.000 0.028 0.000 0.845 63 D CB 0.236 41.058 40.800 0.036 0.000 0.990 63 D HN -0.091 nan 8.370 nan 0.000 0.448 64 N N -0.792 117.916 118.700 0.013 0.000 2.519 64 N HA 0.099 4.839 4.740 0.001 0.000 0.291 64 N C -1.428 174.072 175.510 -0.016 0.000 1.107 64 N CA -0.436 52.618 53.050 0.007 0.000 0.904 64 N CB 1.627 40.115 38.487 0.001 0.000 1.500 64 N HN 0.098 nan 8.380 nan 0.000 0.510 65 D N 1.892 122.304 120.400 0.021 0.000 2.328 65 D HA -0.029 4.611 4.640 0.001 0.000 0.221 65 D C -0.070 176.229 176.300 -0.001 0.000 1.072 65 D CA -0.004 54.003 54.000 0.011 0.000 0.850 65 D CB -0.462 40.366 40.800 0.047 0.000 0.922 65 D HN 0.413 nan 8.370 nan 0.000 0.516 66 Y N 0.952 121.188 120.300 -0.107 0.000 2.316 66 Y HA 0.463 5.013 4.550 0.000 0.000 0.331 66 Y C -0.593 175.226 175.900 -0.135 0.000 1.083 66 Y CA -0.864 57.179 58.100 -0.094 0.000 1.206 66 Y CB 0.523 38.945 38.460 -0.063 0.000 1.195 66 Y HN -0.002 nan 8.280 nan 0.000 0.497 67 I N 6.034 125.981 120.570 -1.039 0.000 2.802 67 I HA 0.276 4.447 4.170 0.001 0.000 0.298 67 I C -1.167 174.305 176.117 -1.074 0.000 1.176 67 I CA -0.935 59.842 61.300 -0.871 0.000 1.025 67 I CB 1.688 39.454 38.000 -0.389 0.000 1.243 67 I HN 0.642 nan 8.210 nan 0.000 0.424 68 N N 6.172 124.489 118.700 -0.639 0.000 2.671 68 N HA 0.469 5.210 4.740 0.001 0.000 0.274 68 N C -1.239 174.158 175.510 -0.188 0.000 1.188 68 N CA 0.240 53.118 53.050 -0.286 0.000 1.065 68 N CB 0.181 38.654 38.487 -0.025 0.000 1.415 68 N HN 0.663 nan 8.380 nan 0.000 0.511 69 A N 1.416 124.114 122.820 -0.203 0.000 2.566 69 A HA 0.642 4.962 4.320 0.001 0.000 0.297 69 A C -1.052 176.467 177.584 -0.108 0.000 1.059 69 A CA -0.644 51.307 52.037 -0.143 0.000 0.691 69 A CB 1.171 20.063 19.000 -0.180 0.000 1.282 69 A HN 0.322 nan 8.150 nan 0.000 0.401 70 S N 0.526 116.186 115.700 -0.066 0.000 2.538 70 S HA 0.594 5.065 4.470 0.001 0.000 0.288 70 S C -1.005 173.592 174.600 -0.006 0.000 1.108 70 S CA -0.492 57.690 58.200 -0.029 0.000 0.971 70 S CB 1.545 64.736 63.200 -0.015 0.000 1.041 70 S HN 1.035 nan 8.310 nan 0.000 0.483 71 L N 4.358 125.583 121.223 0.004 0.000 2.283 71 L HA 0.457 4.798 4.340 0.001 0.000 0.287 71 L C -0.999 175.840 176.870 -0.052 0.000 1.073 71 L CA -0.185 54.644 54.840 -0.018 0.000 0.822 71 L CB 0.017 42.058 42.059 -0.030 0.000 1.186 71 L HN 0.500 nan 8.230 nan 0.000 0.436 72 I N 5.582 126.109 120.570 -0.071 0.000 2.281 72 I HA 0.223 4.393 4.170 0.001 0.000 0.293 72 I C 0.283 176.163 176.117 -0.396 0.000 1.085 72 I CA -0.079 61.086 61.300 -0.225 0.000 1.257 72 I CB 0.232 38.276 38.000 0.074 0.000 1.430 72 I HN 0.630 nan 8.210 nan 0.000 0.489 73 K N 7.435 127.281 120.400 -0.923 0.000 2.299 73 K HA 0.361 4.681 4.320 0.001 0.000 0.268 73 K C -0.586 175.735 176.600 -0.465 0.000 1.075 73 K CA -0.655 55.303 56.287 -0.548 0.000 0.936 73 K CB 0.662 32.937 32.500 -0.374 0.000 1.228 73 K HN 0.356 nan 8.250 nan 0.000 0.454 74 M N 3.959 123.439 119.600 -0.200 0.000 2.319 74 M HA 0.055 4.535 4.480 0.001 0.000 0.343 74 M C 1.006 177.294 176.300 -0.020 0.000 1.364 74 M CA 0.239 55.513 55.300 -0.044 0.000 1.292 74 M CB 0.455 33.090 32.600 0.058 0.000 1.432 74 M HN 0.691 nan 8.290 nan 0.000 0.448 75 E N 2.751 122.963 120.200 0.020 0.000 2.031 75 E HA -0.225 4.126 4.350 0.001 0.000 0.193 75 E C 1.455 178.069 176.600 0.024 0.000 0.994 75 E CA 1.665 58.081 56.400 0.027 0.000 0.800 75 E CB 0.242 29.981 29.700 0.066 0.000 0.752 75 E HN 0.771 nan 8.360 nan 0.000 0.447 76 E N -0.302 119.924 120.200 0.043 0.000 2.077 76 E HA -0.195 4.156 4.350 0.001 0.000 0.193 76 E C 1.856 178.470 176.600 0.023 0.000 0.989 76 E CA 1.016 57.437 56.400 0.035 0.000 0.800 76 E CB -0.127 29.601 29.700 0.047 0.000 0.746 76 E HN 0.325 nan 8.360 nan 0.000 0.452 77 A N 0.276 123.111 122.820 0.026 0.000 2.066 77 A HA -0.125 4.196 4.320 0.001 0.000 0.218 77 A C 0.841 178.416 177.584 -0.015 0.000 1.157 77 A CA 1.028 53.074 52.037 0.015 0.000 0.670 77 A CB -0.170 18.854 19.000 0.039 0.000 0.804 77 A HN 0.436 nan 8.150 nan 0.000 0.453 78 Q N -1.819 117.964 119.800 -0.028 0.000 2.478 78 Q HA -0.208 4.133 4.340 0.001 0.000 0.286 78 Q C -0.030 175.912 176.000 -0.096 0.000 1.299 78 Q CA 1.082 56.853 55.803 -0.054 0.000 0.826 78 Q CB -1.508 27.206 28.738 -0.041 0.000 1.199 78 Q HN 0.769 nan 8.270 nan 0.000 0.451 79 R N -0.105 120.314 120.500 -0.134 0.000 2.673 79 R HA 0.635 4.976 4.340 0.001 0.000 0.281 79 R C -1.281 174.800 176.300 -0.365 0.000 0.991 79 R CA -0.372 55.570 56.100 -0.263 0.000 0.896 79 R CB 1.915 32.031 30.300 -0.307 0.000 1.201 79 R HN 0.055 nan 8.270 nan 0.000 0.457 80 S N 2.013 117.447 115.700 -0.442 0.000 2.532 80 S HA 0.608 5.078 4.470 0.001 0.000 0.301 80 S C -1.639 172.633 174.600 -0.547 0.000 1.083 80 S CA -0.468 57.501 58.200 -0.385 0.000 1.025 80 S CB 1.028 64.100 63.200 -0.214 0.000 1.056 80 S HN 0.439 nan 8.310 nan 0.000 0.494 81 Y N 0.436 120.700 120.300 -0.060 0.000 2.512 81 Y HA 0.582 5.133 4.550 0.001 0.000 0.348 81 Y C -0.298 175.574 175.900 -0.047 0.000 0.990 81 Y CA -0.952 57.135 58.100 -0.022 0.000 1.033 81 Y CB 1.065 39.542 38.460 0.028 0.000 1.259 81 Y HN 0.428 nan 8.280 nan 0.000 0.461 82 I N 4.293 124.926 120.570 0.106 0.000 2.330 82 I HA 0.294 4.465 4.170 0.001 0.000 0.289 82 I C -0.907 175.230 176.117 0.035 0.000 1.001 82 I CA -0.397 60.917 61.300 0.023 0.000 1.193 82 I CB 0.718 38.681 38.000 -0.061 0.000 1.345 82 I HN 0.345 nan 8.210 nan 0.000 0.461 83 L N 5.776 127.015 121.223 0.026 0.000 2.295 83 L HA 0.608 4.949 4.340 0.001 0.000 0.285 83 L C 0.033 176.895 176.870 -0.013 0.000 1.035 83 L CA -0.212 54.635 54.840 0.013 0.000 0.806 83 L CB 1.641 43.705 42.059 0.008 0.000 1.214 83 L HN 0.527 nan 8.230 nan 0.000 0.426 84 T N 1.310 115.868 114.554 0.007 0.000 2.868 84 T HA 0.309 4.660 4.350 0.001 0.000 0.306 84 T C -0.892 173.821 174.700 0.022 0.000 1.224 84 T CA -0.629 61.465 62.100 -0.010 0.000 1.012 84 T CB 1.947 70.794 68.868 -0.034 0.000 1.221 84 T HN 0.700 nan 8.240 nan 0.000 0.499 85 Q N 1.348 121.145 119.800 -0.005 0.000 2.443 85 Q HA 0.530 4.871 4.340 0.001 0.000 0.232 85 Q C 0.615 176.559 176.000 -0.093 0.000 1.026 85 Q CA -0.712 55.096 55.803 0.009 0.000 0.924 85 Q CB 0.094 28.845 28.738 0.021 0.000 1.256 85 Q HN 0.758 nan 8.270 nan 0.000 0.519 86 G N 2.264 111.026 108.800 -0.063 0.000 2.299 86 G HA2 0.236 4.197 3.960 0.001 0.000 0.256 86 G HA3 0.236 4.197 3.960 0.001 0.000 0.256 86 G C -2.260 172.458 174.900 -0.303 0.000 1.259 86 G CA -0.874 44.075 45.100 -0.251 0.000 0.943 86 G HN 0.516 nan 8.290 nan 0.000 0.479 87 P HA 0.082 nan 4.420 nan 0.000 0.268 87 P C 0.135 177.317 177.300 -0.196 0.000 1.208 87 P CA -0.011 62.855 63.100 -0.391 0.000 0.777 87 P CB 0.912 32.214 31.700 -0.664 0.000 0.875 88 L N 3.932 125.083 121.223 -0.121 0.000 2.400 88 L HA 0.345 4.685 4.340 0.001 0.000 0.264 88 L C -1.192 175.653 176.870 -0.042 0.000 1.061 88 L CA -2.135 52.664 54.840 -0.069 0.000 0.799 88 L CB 0.672 42.701 42.059 -0.050 0.000 1.240 88 L HN 0.202 nan 8.230 nan 0.000 0.461 89 P HA -0.139 nan 4.420 nan 0.000 0.218 89 P C 0.463 177.762 177.300 -0.002 0.000 1.146 89 P CA 1.154 64.254 63.100 -0.000 0.000 0.813 89 P CB -0.013 31.685 31.700 -0.003 0.000 0.778 90 N N -1.891 116.799 118.700 -0.017 0.000 2.280 90 N HA 0.006 4.746 4.740 0.001 0.000 0.192 90 N C 0.640 176.068 175.510 -0.137 0.000 1.109 90 N CA 0.794 53.823 53.050 -0.035 0.000 0.855 90 N CB -0.761 37.733 38.487 0.011 0.000 0.974 90 N HN 0.151 nan 8.380 nan 0.000 0.482 91 T N -4.331 110.147 114.554 -0.128 0.000 3.145 91 T HA 0.234 4.584 4.350 0.001 0.000 0.281 91 T C 1.382 175.966 174.700 -0.193 0.000 1.003 91 T CA -0.257 61.734 62.100 -0.182 0.000 0.901 91 T CB -0.943 67.959 68.868 0.057 0.000 1.112 91 T HN 0.093 nan 8.240 nan 0.000 0.535 92 C N 1.493 120.704 119.300 -0.149 0.000 2.440 92 C HA 0.213 4.674 4.460 0.001 0.000 0.278 92 C C 3.036 177.845 174.990 -0.302 0.000 1.295 92 C CA 0.842 59.777 59.018 -0.139 0.000 1.738 92 C CB -1.288 26.532 27.740 0.134 0.000 1.987 92 C HN 0.778 nan 8.230 nan 0.000 0.492 93 G N -0.252 108.398 108.800 -0.249 0.000 2.402 93 G HA2 -0.194 3.767 3.960 0.001 0.000 0.216 93 G HA3 -0.194 3.767 3.960 0.001 0.000 0.216 93 G C 1.099 175.939 174.900 -0.100 0.000 1.162 93 G CA 0.841 45.818 45.100 -0.206 0.000 0.777 93 G HN 0.736 nan 8.290 nan 0.000 0.539 94 H N -1.173 117.872 119.070 -0.041 0.000 2.387 94 H HA -0.013 4.543 4.556 0.000 0.000 0.299 94 H C 2.187 177.438 175.328 -0.128 0.000 1.090 94 H CA 1.029 57.037 56.048 -0.067 0.000 1.332 94 H CB -0.162 29.560 29.762 -0.067 0.000 1.386 94 H HN 0.377 nan 8.280 nan 0.000 0.516 95 F N 0.468 120.272 119.950 -0.244 0.000 2.095 95 F HA -0.241 4.287 4.527 0.000 0.000 0.298 95 F C 1.565 177.076 175.800 -0.482 0.000 1.104 95 F CA 1.416 59.133 58.000 -0.471 0.000 1.232 95 F CB -0.353 38.194 39.000 -0.755 0.000 0.987 95 F HN 0.103 nan 8.300 nan 0.000 0.475 96 W N 0.830 122.078 121.300 -0.086 0.000 2.436 96 W HA -0.060 4.600 4.660 0.000 0.000 0.284 96 W C 2.535 179.009 176.519 -0.076 0.000 1.225 96 W CA 1.043 58.321 57.345 -0.111 0.000 1.271 96 W CB -0.480 28.867 29.460 -0.189 0.000 1.114 96 W HN 0.128 nan 8.180 nan 0.000 0.559 97 E N 0.816 121.078 120.200 0.102 0.000 2.085 97 E HA -0.303 4.047 4.350 0.001 0.000 0.194 97 E C 2.131 178.739 176.600 0.013 0.000 0.994 97 E CA 1.690 58.138 56.400 0.080 0.000 0.801 97 E CB -0.338 29.394 29.700 0.053 0.000 0.743 97 E HN 0.310 nan 8.360 nan 0.000 0.453 98 M N 0.289 119.812 119.600 -0.129 0.000 2.086 98 M HA -0.158 4.322 4.480 0.001 0.000 0.261 98 M C 2.100 178.277 176.300 -0.206 0.000 1.067 98 M CA 1.354 56.519 55.300 -0.225 0.000 1.116 98 M CB 0.027 32.424 32.600 -0.339 0.000 1.348 98 M HN 0.063 nan 8.290 nan 0.000 0.407 99 V N 0.147 119.918 119.914 -0.238 0.000 2.287 99 V HA -0.330 3.791 4.120 0.001 0.000 0.248 99 V C 2.156 178.279 176.094 0.048 0.000 1.053 99 V CA 2.308 64.537 62.300 -0.117 0.000 1.027 99 V CB -1.170 30.649 31.823 -0.007 0.000 0.646 99 V HN 0.764 nan 8.190 nan 0.000 0.447 100 W N 1.169 122.463 121.300 -0.010 0.000 2.353 100 W HA -0.172 4.489 4.660 0.003 0.000 0.319 100 W C 2.403 178.898 176.519 -0.040 0.000 1.207 100 W CA 2.131 59.480 57.345 0.007 0.000 1.291 100 W CB -0.215 29.262 29.460 0.030 0.000 1.159 100 W HN 0.351 nan 8.180 nan 0.000 0.478 101 E N -0.346 119.916 120.200 0.104 0.000 2.153 101 E HA -0.240 4.111 4.350 0.001 0.000 0.194 101 E C 1.972 178.498 176.600 -0.123 0.000 0.988 101 E CA 1.059 57.422 56.400 -0.062 0.000 0.811 101 E CB -0.213 29.256 29.700 -0.386 0.000 0.746 101 E HN 0.226 nan 8.360 nan 0.000 0.466 102 Q N 0.184 119.903 119.800 -0.136 0.000 2.403 102 Q HA 0.048 4.388 4.340 0.001 0.000 0.203 102 Q C -0.004 175.929 176.000 -0.111 0.000 0.932 102 Q CA 0.254 55.991 55.803 -0.110 0.000 0.945 102 Q CB 0.394 29.059 28.738 -0.122 0.000 1.045 102 Q HN 0.206 nan 8.270 nan 0.000 0.511 103 K N 0.425 120.726 120.400 -0.165 0.000 3.129 103 K HA -0.099 4.222 4.320 0.001 0.000 0.273 103 K C -0.612 175.917 176.600 -0.118 0.000 1.123 103 K CA 0.339 56.514 56.287 -0.188 0.000 0.800 103 K CB -1.993 30.419 32.500 -0.147 0.000 1.238 103 K HN 0.086 nan 8.250 nan 0.000 0.492 104 S N 0.365 116.001 115.700 -0.107 0.000 2.562 104 S HA 0.150 4.621 4.470 0.001 0.000 0.281 104 S C 1.243 175.781 174.600 -0.102 0.000 1.333 104 S CA -0.364 57.787 58.200 -0.081 0.000 1.052 104 S CB 1.677 64.834 63.200 -0.072 0.000 0.884 104 S HN 0.428 nan 8.310 nan 0.000 0.506 105 R N 2.144 122.538 120.500 -0.176 0.000 2.175 105 R HA 0.256 4.597 4.340 0.001 0.000 0.202 105 R C 0.682 176.954 176.300 -0.047 0.000 1.018 105 R CA 0.732 56.669 56.100 -0.273 0.000 1.029 105 R CB -0.163 29.621 30.300 -0.861 0.000 0.959 105 R HN 0.676 nan 8.270 nan 0.000 0.480 106 G N -0.377 108.446 108.800 0.039 0.000 2.524 106 G HA2 0.578 4.539 3.960 0.001 0.000 0.310 106 G HA3 0.578 4.539 3.960 0.001 0.000 0.310 106 G C -1.719 173.304 174.900 0.206 0.000 1.279 106 G CA -0.512 44.713 45.100 0.208 0.000 0.974 106 G HN 0.012 nan 8.290 nan 0.000 0.484 107 V N 1.353 121.447 119.914 0.299 0.000 2.483 107 V HA 0.444 4.564 4.120 0.001 0.000 0.297 107 V C -0.392 175.833 176.094 0.217 0.000 1.027 107 V CA -0.693 61.776 62.300 0.282 0.000 0.855 107 V CB 1.713 33.817 31.823 0.468 0.000 0.995 107 V HN 0.561 nan 8.190 nan 0.000 0.424 108 V N 6.205 126.167 119.914 0.081 0.000 2.347 108 V HA 0.488 4.609 4.120 0.001 0.000 0.280 108 V C -0.064 175.883 176.094 -0.246 0.000 1.021 108 V CA -0.316 61.944 62.300 -0.068 0.000 0.847 108 V CB 1.489 33.111 31.823 -0.335 0.000 0.990 108 V HN 0.910 nan 8.190 nan 0.000 0.444 109 M N 5.857 125.271 119.600 -0.309 0.000 2.167 109 M HA 0.506 4.987 4.480 0.001 0.000 0.333 109 M C -0.476 175.662 176.300 -0.271 0.000 1.030 109 M CA -0.382 54.567 55.300 -0.586 0.000 0.963 109 M CB 1.224 33.510 32.600 -0.524 0.000 1.589 109 M HN 0.573 nan 8.290 nan 0.000 0.431 110 L N 4.309 125.302 121.223 -0.384 0.000 2.693 110 L HA 0.266 4.607 4.340 0.001 0.000 0.235 110 L C 0.376 177.133 176.870 -0.189 0.000 1.127 110 L CA -0.350 54.316 54.840 -0.290 0.000 0.914 110 L CB -0.486 41.228 42.059 -0.574 0.000 1.193 110 L HN 0.709 nan 8.230 nan 0.000 0.502 111 N N -0.181 118.478 118.700 -0.067 0.000 2.545 111 N HA 0.418 5.158 4.740 0.001 0.000 0.289 111 N C -0.680 174.996 175.510 0.277 0.000 1.279 111 N CA -0.815 52.266 53.050 0.052 0.000 0.824 111 N CB 1.554 40.054 38.487 0.022 0.000 1.395 111 N HN -0.079 nan 8.380 nan 0.000 0.526 112 R N -0.283 120.368 120.500 0.252 0.000 2.573 112 R HA 0.370 4.711 4.340 0.001 0.000 0.272 112 R C 1.292 177.751 176.300 0.264 0.000 1.009 112 R CA -0.839 55.456 56.100 0.324 0.000 1.059 112 R CB 1.484 31.916 30.300 0.220 0.000 1.112 112 R HN 0.317 nan 8.270 nan 0.000 0.517 113 V N 1.459 121.542 119.914 0.283 0.000 2.332 113 V HA -0.189 3.932 4.120 0.001 0.000 0.248 113 V C 1.052 177.224 176.094 0.130 0.000 1.055 113 V CA 1.651 64.068 62.300 0.195 0.000 1.038 113 V CB -0.230 31.677 31.823 0.140 0.000 0.651 113 V HN 0.633 nan 8.190 nan 0.000 0.450 114 M N 0.127 119.799 119.600 0.121 0.000 2.243 114 M HA 0.441 4.922 4.480 0.001 0.000 0.324 114 M C -1.111 175.248 176.300 0.099 0.000 1.031 114 M CA -0.126 55.229 55.300 0.093 0.000 0.949 114 M CB 1.535 34.177 32.600 0.069 0.000 1.615 114 M HN 0.180 nan 8.290 nan 0.000 0.430 115 E N 3.729 123.985 120.200 0.094 0.000 2.292 115 E HA 0.327 4.677 4.350 0.001 0.000 0.272 115 E C -1.051 175.600 176.600 0.085 0.000 0.881 115 E CA -0.868 55.587 56.400 0.091 0.000 0.754 115 E CB 1.888 31.645 29.700 0.095 0.000 1.201 115 E HN 0.663 nan 8.360 nan 0.000 0.425 116 K N 1.072 121.518 120.400 0.076 0.000 3.071 116 K HA -0.294 4.027 4.320 0.001 0.000 0.262 116 K C 0.686 177.323 176.600 0.061 0.000 0.977 116 K CA 0.635 56.963 56.287 0.068 0.000 0.721 116 K CB -1.588 30.959 32.500 0.078 0.000 1.293 116 K HN 1.090 nan 8.250 nan 0.000 0.475 117 G N -1.137 107.696 108.800 0.056 0.000 2.189 117 G HA2 -0.362 3.599 3.960 0.001 0.000 0.267 117 G HA3 -0.362 3.599 3.960 0.001 0.000 0.267 117 G C 0.088 175.017 174.900 0.048 0.000 0.975 117 G CA 0.639 45.767 45.100 0.047 0.000 0.644 117 G HN 0.444 nan 8.290 nan 0.000 0.537 118 S N -0.858 114.878 115.700 0.060 0.000 2.607 118 S HA 0.735 5.206 4.470 0.001 0.000 0.303 118 S C -0.013 174.624 174.600 0.063 0.000 1.086 118 S CA -0.684 57.552 58.200 0.060 0.000 0.995 118 S CB 1.656 64.901 63.200 0.075 0.000 1.084 118 S HN 0.383 nan 8.310 nan 0.000 0.507 119 L N 3.105 124.357 121.223 0.049 0.000 2.288 119 L HA 0.369 4.710 4.340 0.001 0.000 0.283 119 L C 0.987 177.887 176.870 0.051 0.000 1.072 119 L CA -0.305 54.563 54.840 0.047 0.000 0.862 119 L CB 0.360 42.434 42.059 0.025 0.000 1.245 119 L HN 0.484 nan 8.230 nan 0.000 0.432 120 K N 1.122 121.571 120.400 0.082 0.000 2.444 120 K HA 0.190 4.511 4.320 0.001 0.000 0.193 120 K C -0.098 176.554 176.600 0.086 0.000 1.024 120 K CA 0.187 56.534 56.287 0.100 0.000 1.077 120 K CB 0.267 32.846 32.500 0.133 0.000 0.833 120 K HN 0.526 nan 8.250 nan 0.000 0.517 121 C N 0.002 119.351 119.300 0.081 0.000 3.199 121 C HA 0.580 5.041 4.460 0.001 0.000 0.392 121 C C -0.814 174.226 174.990 0.084 0.000 1.050 121 C CA -1.061 58.010 59.018 0.089 0.000 1.222 121 C CB 0.858 28.721 27.740 0.205 0.000 1.595 121 C HN 0.460 nan 8.230 nan 0.000 0.560 122 A N 3.229 126.084 122.820 0.058 0.000 2.366 122 A HA 0.544 4.864 4.320 0.001 0.000 0.249 122 A C 0.070 177.705 177.584 0.085 0.000 1.084 122 A CA 0.069 52.137 52.037 0.052 0.000 0.794 122 A CB 0.272 19.290 19.000 0.031 0.000 1.034 122 A HN 0.969 nan 8.150 nan 0.000 0.491 123 Q N 1.051 120.819 119.800 -0.053 0.000 2.513 123 Q HA 0.227 4.567 4.340 0.001 0.000 0.227 123 Q C -0.199 175.706 176.000 -0.159 0.000 1.257 123 Q CA 0.461 56.090 55.803 -0.290 0.000 0.915 123 Q CB -0.589 27.947 28.738 -0.337 0.000 1.507 123 Q HN 0.713 nan 8.270 nan 0.000 0.543 124 Y N 1.245 121.533 120.300 -0.021 0.000 2.466 124 Y HA 0.329 4.880 4.550 0.001 0.000 0.272 124 Y C -0.435 175.799 175.900 0.556 0.000 1.169 124 Y CA -1.153 57.091 58.100 0.240 0.000 1.285 124 Y CB -0.230 38.239 38.460 0.016 0.000 1.078 124 Y HN 0.395 nan 8.280 nan 0.000 0.523 125 W N 0.766 121.973 121.300 -0.155 0.000 2.864 125 W HA 0.802 5.463 4.660 0.001 0.000 0.343 125 W C -3.174 173.279 176.519 -0.111 0.000 1.109 125 W CA -3.280 54.005 57.345 -0.100 0.000 1.192 125 W CB 0.802 30.052 29.460 -0.351 0.000 1.426 125 W HN -0.344 nan 8.180 nan 0.000 0.529 126 P HA 0.112 nan 4.420 nan 0.000 0.276 126 P C -0.147 177.070 177.300 -0.138 0.000 1.230 126 P CA 0.152 63.160 63.100 -0.153 0.000 0.776 126 P CB 1.566 33.222 31.700 -0.074 0.000 0.888 127 Q N 1.049 120.722 119.800 -0.212 0.000 2.398 127 Q HA 0.056 4.396 4.340 0.001 0.000 0.204 127 Q C 0.112 176.098 176.000 -0.022 0.000 0.932 127 Q CA 0.928 56.667 55.803 -0.106 0.000 0.916 127 Q CB 0.186 28.827 28.738 -0.163 0.000 1.024 127 Q HN 0.474 nan 8.270 nan 0.000 0.504 128 K N -0.288 120.087 120.400 -0.042 0.000 2.427 128 K HA 0.177 4.497 4.320 0.001 0.000 0.252 128 K C -0.318 176.267 176.600 -0.026 0.000 0.931 128 K CA -0.396 55.875 56.287 -0.026 0.000 0.793 128 K CB 1.848 34.325 32.500 -0.038 0.000 1.211 128 K HN -0.180 nan 8.250 nan 0.000 0.426 129 E N 1.621 121.813 120.200 -0.014 0.000 2.086 129 E HA -0.271 4.080 4.350 0.001 0.000 0.200 129 E C 1.445 178.027 176.600 -0.030 0.000 1.012 129 E CA 1.834 58.224 56.400 -0.017 0.000 0.812 129 E CB 0.151 29.845 29.700 -0.011 0.000 0.743 129 E HN 0.614 nan 8.360 nan 0.000 0.453 130 E N 0.772 120.953 120.200 -0.032 0.000 2.511 130 E HA -0.100 4.251 4.350 0.001 0.000 0.196 130 E C -0.025 176.545 176.600 -0.051 0.000 1.066 130 E CA 0.601 56.979 56.400 -0.038 0.000 0.871 130 E CB 0.090 29.770 29.700 -0.032 0.000 0.863 130 E HN 0.096 nan 8.360 nan 0.000 0.520 131 K N 2.710 123.075 120.400 -0.060 0.000 2.606 131 K HA 0.093 4.413 4.320 0.001 0.000 0.196 131 K C 0.017 176.558 176.600 -0.098 0.000 1.048 131 K CA -0.367 55.873 56.287 -0.079 0.000 1.017 131 K CB 0.888 33.339 32.500 -0.082 0.000 1.413 131 K HN 0.166 nan 8.250 nan 0.000 0.568 132 E N 2.869 123.009 120.200 -0.100 0.000 2.392 132 E HA 0.151 4.501 4.350 0.001 0.000 0.256 132 E C -0.483 176.010 176.600 -0.179 0.000 1.145 132 E CA -0.096 56.231 56.400 -0.121 0.000 0.929 132 E CB 0.927 30.564 29.700 -0.105 0.000 0.998 132 E HN 0.237 nan 8.360 nan 0.000 0.442 133 M N 1.577 121.033 119.600 -0.241 0.000 2.364 133 M HA 0.450 4.930 4.480 0.001 0.000 0.334 133 M C -0.457 175.524 176.300 -0.531 0.000 1.107 133 M CA -0.678 54.367 55.300 -0.426 0.000 0.988 133 M CB 1.655 33.934 32.600 -0.535 0.000 1.673 133 M HN 0.393 nan 8.290 nan 0.000 0.441 134 I N 2.526 122.764 120.570 -0.553 0.000 2.406 134 I HA 0.370 4.540 4.170 0.001 0.000 0.290 134 I C -1.240 174.532 176.117 -0.575 0.000 0.999 134 I CA -0.409 60.632 61.300 -0.433 0.000 1.124 134 I CB 1.376 39.247 38.000 -0.215 0.000 1.289 134 I HN 0.516 nan 8.210 nan 0.000 0.441 135 F N 5.079 125.011 119.950 -0.030 0.000 2.303 135 F HA 0.327 4.854 4.527 0.000 0.000 0.368 135 F C 1.449 177.241 175.800 -0.014 0.000 1.105 135 F CA -0.474 57.526 58.000 -0.001 0.000 1.153 135 F CB 0.478 39.509 39.000 0.052 0.000 1.362 135 F HN 0.524 nan 8.300 nan 0.000 0.511 136 E N 1.379 121.624 120.200 0.075 0.000 2.110 136 E HA -0.218 4.133 4.350 0.001 0.000 0.193 136 E C 1.641 178.279 176.600 0.063 0.000 0.988 136 E CA 1.604 58.028 56.400 0.040 0.000 0.804 136 E CB 0.037 29.743 29.700 0.010 0.000 0.745 136 E HN 0.701 nan 8.360 nan 0.000 0.458 137 D N 0.128 120.580 120.400 0.088 0.000 2.144 137 D HA -0.144 4.497 4.640 0.001 0.000 0.199 137 D C 1.775 178.131 176.300 0.094 0.000 0.984 137 D CA 1.837 55.888 54.000 0.084 0.000 0.834 137 D CB -0.556 40.293 40.800 0.083 0.000 0.955 137 D HN 0.221 nan 8.370 nan 0.000 0.465 138 T N -4.335 110.286 114.554 0.111 0.000 3.054 138 T HA 0.146 4.497 4.350 0.001 0.000 0.255 138 T C 0.449 175.175 174.700 0.043 0.000 1.035 138 T CA -0.097 62.056 62.100 0.088 0.000 0.941 138 T CB -0.440 68.490 68.868 0.103 0.000 1.026 138 T HN 0.040 nan 8.240 nan 0.000 0.533 139 N N 0.732 119.460 118.700 0.047 0.000 2.727 139 N HA -0.116 4.624 4.740 0.001 0.000 0.251 139 N C -1.164 174.320 175.510 -0.044 0.000 1.040 139 N CA 0.351 53.398 53.050 -0.005 0.000 0.712 139 N CB -1.808 36.659 38.487 -0.034 0.000 0.912 139 N HN 0.694 nan 8.380 nan 0.000 0.545 140 L N -0.309 120.938 121.223 0.039 0.000 2.381 140 L HA 0.507 4.847 4.340 0.001 0.000 0.268 140 L C 0.289 177.203 176.870 0.074 0.000 0.997 140 L CA -0.812 54.042 54.840 0.024 0.000 0.818 140 L CB 2.117 44.237 42.059 0.102 0.000 1.310 140 L HN 0.043 nan 8.230 nan 0.000 0.416 141 K N 2.419 122.805 120.400 -0.024 0.000 2.259 141 K HA 0.720 5.040 4.320 0.001 0.000 0.252 141 K C -1.753 174.803 176.600 -0.074 0.000 0.936 141 K CA -0.689 55.560 56.287 -0.063 0.000 0.810 141 K CB 2.021 34.470 32.500 -0.086 0.000 1.143 141 K HN 0.387 nan 8.250 nan 0.000 0.427 142 L N 2.684 123.838 121.223 -0.114 0.000 2.406 142 L HA 0.482 4.823 4.340 0.001 0.000 0.272 142 L C -1.520 175.271 176.870 -0.132 0.000 0.980 142 L CA 0.114 54.857 54.840 -0.162 0.000 0.831 142 L CB 2.225 44.144 42.059 -0.234 0.000 1.253 142 L HN 0.636 nan 8.230 nan 0.000 0.406 143 T N 5.211 119.704 114.554 -0.102 0.000 2.824 143 T HA 0.452 4.802 4.350 0.001 0.000 0.282 143 T C -0.818 173.858 174.700 -0.040 0.000 0.993 143 T CA -0.410 61.651 62.100 -0.066 0.000 0.967 143 T CB 1.511 70.348 68.868 -0.051 0.000 0.960 143 T HN 0.529 nan 8.240 nan 0.000 0.441 144 L N 4.787 126.000 121.223 -0.016 0.000 2.418 144 L HA 0.258 4.599 4.340 0.001 0.000 0.274 144 L C 0.501 177.373 176.870 0.003 0.000 1.135 144 L CA 0.173 55.022 54.840 0.015 0.000 0.870 144 L CB -0.155 41.931 42.059 0.045 0.000 1.154 144 L HN 0.591 nan 8.230 nan 0.000 0.462 145 I N 2.322 122.894 120.570 0.003 0.000 2.729 145 I HA 0.186 4.356 4.170 0.001 0.000 0.256 145 I C 0.827 176.946 176.117 0.004 0.000 1.115 145 I CA 1.002 62.302 61.300 0.000 0.000 1.446 145 I CB -0.892 37.107 38.000 -0.001 0.000 1.176 145 I HN 0.787 nan 8.210 nan 0.000 0.446 146 S N 0.588 116.292 115.700 0.006 0.000 2.611 146 S HA 0.617 5.087 4.470 0.001 0.000 0.268 146 S C -1.073 173.533 174.600 0.011 0.000 1.156 146 S CA -0.888 57.317 58.200 0.007 0.000 0.817 146 S CB 2.529 65.730 63.200 0.001 0.000 1.122 146 S HN 0.279 nan 8.310 nan 0.000 0.466 147 E N -0.011 120.197 120.200 0.013 0.000 2.383 147 E HA 0.643 4.994 4.350 0.001 0.000 0.275 147 E C -2.066 174.531 176.600 -0.004 0.000 0.918 147 E CA -0.810 55.597 56.400 0.012 0.000 0.764 147 E CB 1.929 31.656 29.700 0.046 0.000 1.252 147 E HN 0.450 nan 8.360 nan 0.000 0.449 148 D N 2.502 122.891 120.400 -0.019 0.000 2.454 148 D HA 0.313 4.954 4.640 0.001 0.000 0.247 148 D C -1.077 175.170 176.300 -0.089 0.000 1.129 148 D CA -0.478 53.497 54.000 -0.041 0.000 0.877 148 D CB 0.766 41.549 40.800 -0.028 0.000 1.082 148 D HN 0.484 nan 8.370 nan 0.000 0.537 149 I N 4.204 124.718 120.570 -0.094 0.000 2.325 149 I HA 0.225 4.396 4.170 0.001 0.000 0.291 149 I C 0.801 176.786 176.117 -0.219 0.000 1.019 149 I CA -0.556 60.661 61.300 -0.138 0.000 1.302 149 I CB 0.676 38.633 38.000 -0.071 0.000 1.401 149 I HN 0.034 nan 8.210 nan 0.000 0.485 150 K N 3.281 123.438 120.400 -0.405 0.000 2.288 150 K HA 0.368 4.688 4.320 0.001 0.000 0.234 150 K C 1.134 177.547 176.600 -0.311 0.000 1.037 150 K CA -0.478 55.534 56.287 -0.457 0.000 0.914 150 K CB 1.174 33.102 32.500 -0.954 0.000 1.197 150 K HN 0.578 nan 8.250 nan 0.000 0.471 151 S N -0.424 115.182 115.700 -0.158 0.000 2.402 151 S HA -0.175 4.296 4.470 0.001 0.000 0.229 151 S C 1.503 176.145 174.600 0.070 0.000 1.021 151 S CA 1.431 59.638 58.200 0.012 0.000 0.974 151 S CB -0.438 62.841 63.200 0.131 0.000 0.800 151 S HN 0.694 nan 8.310 nan 0.000 0.484 152 Y N -0.298 119.940 120.300 -0.103 0.000 2.610 152 Y HA 0.574 5.124 4.550 0.001 0.000 0.254 152 Y C -0.108 175.717 175.900 -0.125 0.000 1.110 152 Y CA -1.816 56.230 58.100 -0.091 0.000 1.238 152 Y CB -0.189 38.229 38.460 -0.071 0.000 1.322 152 Y HN 0.371 nan 8.280 nan 0.000 0.547 153 Y N -1.773 118.177 120.300 -0.584 0.000 2.592 153 Y HA 0.812 5.363 4.550 0.001 0.000 0.334 153 Y C -1.455 174.320 175.900 -0.209 0.000 1.136 153 Y CA -1.629 56.206 58.100 -0.441 0.000 1.042 153 Y CB 1.355 39.509 38.460 -0.510 0.000 1.325 153 Y HN -0.099 nan 8.280 nan 0.000 0.457 154 T N 2.811 117.376 114.554 0.018 0.000 2.861 154 T HA 0.607 4.957 4.350 0.001 0.000 0.287 154 T C -1.317 173.466 174.700 0.139 0.000 1.003 154 T CA -0.724 61.374 62.100 -0.002 0.000 0.977 154 T CB 1.701 70.586 68.868 0.028 0.000 0.996 154 T HN 0.605 nan 8.240 nan 0.000 0.448 155 V N 4.298 124.246 119.914 0.057 0.000 2.384 155 V HA 0.527 4.648 4.120 0.001 0.000 0.287 155 V C 0.052 176.095 176.094 -0.085 0.000 1.020 155 V CA -0.848 61.420 62.300 -0.053 0.000 0.850 155 V CB 1.285 33.083 31.823 -0.042 0.000 0.987 155 V HN 0.707 nan 8.190 nan 0.000 0.436 156 R N 3.331 123.760 120.500 -0.119 0.000 2.637 156 R HA 0.550 4.891 4.340 0.001 0.000 0.291 156 R C -0.654 175.591 176.300 -0.091 0.000 0.963 156 R CA -0.703 55.364 56.100 -0.056 0.000 0.901 156 R CB 2.342 32.638 30.300 -0.007 0.000 1.160 156 R HN 0.741 nan 8.270 nan 0.000 0.457 157 Q N 3.812 123.583 119.800 -0.049 0.000 2.314 157 Q HA 0.392 4.733 4.340 0.001 0.000 0.259 157 Q C -1.286 174.707 176.000 -0.012 0.000 0.951 157 Q CA -0.440 55.341 55.803 -0.037 0.000 0.909 157 Q CB 0.887 29.610 28.738 -0.025 0.000 1.236 157 Q HN 0.504 nan 8.270 nan 0.000 0.444 158 L N 2.713 123.933 121.223 -0.005 0.000 2.333 158 L HA 0.560 4.900 4.340 0.001 0.000 0.269 158 L C -0.475 176.388 176.870 -0.011 0.000 1.010 158 L CA -0.841 53.990 54.840 -0.015 0.000 0.818 158 L CB 2.064 44.104 42.059 -0.031 0.000 1.306 158 L HN 0.668 nan 8.230 nan 0.000 0.430 159 E N 2.306 122.490 120.200 -0.026 0.000 2.145 159 E HA 0.435 4.786 4.350 0.001 0.000 0.270 159 E C -1.644 174.942 176.600 -0.023 0.000 0.906 159 E CA -0.804 55.595 56.400 -0.003 0.000 0.761 159 E CB 1.803 31.505 29.700 0.004 0.000 1.116 159 E HN 0.380 nan 8.360 nan 0.000 0.408 160 L N 4.334 125.581 121.223 0.041 0.000 2.296 160 L HA 0.432 4.772 4.340 0.001 0.000 0.286 160 L C -0.960 176.004 176.870 0.158 0.000 1.023 160 L CA -0.188 54.689 54.840 0.061 0.000 0.812 160 L CB 1.502 43.654 42.059 0.156 0.000 1.223 160 L HN 0.660 nan 8.230 nan 0.000 0.421 161 E N 3.819 124.020 120.200 0.002 0.000 2.199 161 E HA 0.230 4.580 4.350 0.001 0.000 0.265 161 E C -0.988 175.414 176.600 -0.330 0.000 0.882 161 E CA -0.760 55.590 56.400 -0.083 0.000 0.759 161 E CB 1.031 30.701 29.700 -0.051 0.000 1.148 161 E HN 0.614 nan 8.360 nan 0.000 0.412 162 N N 5.391 123.679 118.700 -0.685 0.000 2.399 162 N HA 0.037 4.778 4.740 0.001 0.000 0.259 162 N C 0.723 176.035 175.510 -0.331 0.000 1.160 162 N CA 0.193 52.782 53.050 -0.770 0.000 0.946 162 N CB 0.544 38.336 38.487 -1.159 0.000 1.156 162 N HN 0.699 nan 8.380 nan 0.000 0.489 163 L N 2.242 123.328 121.223 -0.227 0.000 2.275 163 L HA -0.117 4.224 4.340 0.001 0.000 0.215 163 L C 1.877 178.689 176.870 -0.096 0.000 1.119 163 L CA 0.872 55.637 54.840 -0.125 0.000 0.790 163 L CB -0.261 41.744 42.059 -0.091 0.000 0.919 163 L HN 0.478 nan 8.230 nan 0.000 0.443 164 T N -1.423 113.063 114.554 -0.113 0.000 2.777 164 T HA -0.144 4.207 4.350 0.001 0.000 0.266 164 T C 1.792 176.466 174.700 -0.044 0.000 1.040 164 T CA 1.969 64.028 62.100 -0.068 0.000 1.141 164 T CB -0.171 68.659 68.868 -0.064 0.000 0.868 164 T HN 0.534 nan 8.240 nan 0.000 0.444 165 T N -1.457 113.064 114.554 -0.054 0.000 2.985 165 T HA 0.203 4.553 4.350 0.001 0.000 0.254 165 T C 0.838 175.544 174.700 0.010 0.000 1.021 165 T CA -0.049 62.051 62.100 0.001 0.000 0.957 165 T CB 0.002 68.903 68.868 0.055 0.000 1.047 165 T HN 0.390 nan 8.240 nan 0.000 0.511 166 Q N 0.327 120.111 119.800 -0.025 0.000 2.406 166 Q HA -0.196 4.145 4.340 0.001 0.000 0.236 166 Q C -0.057 175.970 176.000 0.044 0.000 0.799 166 Q CA 1.014 56.813 55.803 -0.007 0.000 1.286 166 Q CB -1.644 27.095 28.738 0.002 0.000 1.615 166 Q HN 0.819 nan 8.270 nan 0.000 0.621 167 E N 1.429 121.688 120.200 0.098 0.000 2.373 167 E HA 0.236 4.587 4.350 0.001 0.000 0.267 167 E C 0.014 176.794 176.600 0.301 0.000 1.032 167 E CA 0.715 57.253 56.400 0.230 0.000 0.889 167 E CB 0.761 30.695 29.700 0.390 0.000 0.984 167 E HN 0.218 nan 8.360 nan 0.000 0.425 168 T N 1.881 116.602 114.554 0.278 0.000 2.893 168 T HA 0.659 5.009 4.350 0.001 0.000 0.291 168 T C -0.391 174.453 174.700 0.240 0.000 1.028 168 T CA -0.982 61.273 62.100 0.258 0.000 0.995 168 T CB 1.528 70.470 68.868 0.123 0.000 1.051 168 T HN 0.459 nan 8.240 nan 0.000 0.470 169 R N 0.785 121.431 120.500 0.244 0.000 2.725 169 R HA 0.441 4.781 4.340 0.001 0.000 0.277 169 R C -0.945 175.408 176.300 0.087 0.000 0.987 169 R CA -0.873 55.294 56.100 0.112 0.000 0.901 169 R CB 2.412 32.722 30.300 0.017 0.000 1.207 169 R HN 0.847 nan 8.270 nan 0.000 0.463 170 E N 3.729 123.955 120.200 0.044 0.000 2.194 170 E HA 0.167 4.518 4.350 0.001 0.000 0.284 170 E C -0.592 176.026 176.600 0.030 0.000 1.035 170 E CA -0.436 55.983 56.400 0.033 0.000 0.836 170 E CB 0.654 30.366 29.700 0.021 0.000 1.070 170 E HN 0.274 nan 8.360 nan 0.000 0.401 171 I N 5.894 126.498 120.570 0.056 0.000 2.377 171 I HA 0.262 4.433 4.170 0.001 0.000 0.293 171 I C -0.023 176.135 176.117 0.068 0.000 0.987 171 I CA -0.812 60.549 61.300 0.101 0.000 1.185 171 I CB 1.127 39.267 38.000 0.234 0.000 1.341 171 I HN 0.587 nan 8.210 nan 0.000 0.455 172 L N 5.718 126.968 121.223 0.043 0.000 2.289 172 L HA 0.387 4.728 4.340 0.001 0.000 0.285 172 L C 0.157 176.950 176.870 -0.129 0.000 1.049 172 L CA -0.430 54.339 54.840 -0.120 0.000 0.804 172 L CB 0.968 42.922 42.059 -0.176 0.000 1.195 172 L HN 0.523 nan 8.230 nan 0.000 0.428 173 H N 4.062 122.900 119.070 -0.387 0.000 2.551 173 H HA 0.363 4.919 4.556 0.001 0.000 0.321 173 H C -1.519 173.556 175.328 -0.422 0.000 1.028 173 H CA -0.626 55.269 56.048 -0.256 0.000 1.215 173 H CB 1.063 30.689 29.762 -0.227 0.000 1.414 173 H HN 0.378 nan 8.280 nan 0.000 0.480 174 F N 4.610 124.431 119.950 -0.215 0.000 2.332 174 F HA 0.188 4.715 4.527 0.001 0.000 0.368 174 F C 0.383 176.216 175.800 0.055 0.000 1.110 174 F CA -0.569 57.404 58.000 -0.044 0.000 1.087 174 F CB 0.717 39.626 39.000 -0.152 0.000 1.235 174 F HN 0.536 nan 8.300 nan 0.000 0.470 175 H N 4.151 123.296 119.070 0.124 0.000 2.638 175 H HA 0.226 4.783 4.556 0.001 0.000 0.303 175 H C -1.413 174.001 175.328 0.144 0.000 1.034 175 H CA -0.779 55.266 56.048 -0.005 0.000 1.225 175 H CB 0.740 30.420 29.762 -0.137 0.000 1.394 175 H HN 0.719 nan 8.280 nan 0.000 0.477 176 Y N 5.037 125.342 120.300 0.007 0.000 2.404 176 Y HA 0.019 4.569 4.550 0.001 0.000 0.344 176 Y C 1.072 176.917 175.900 -0.092 0.000 0.995 176 Y CA -0.061 57.881 58.100 -0.263 0.000 1.201 176 Y CB 0.968 39.021 38.460 -0.678 0.000 1.151 176 Y HN 0.716 nan 8.280 nan 0.000 0.517 177 T N -1.955 112.649 114.554 0.084 0.000 3.040 177 T HA -0.011 4.340 4.350 0.001 0.000 0.250 177 T C 0.892 175.705 174.700 0.188 0.000 1.058 177 T CA 0.637 62.733 62.100 -0.007 0.000 0.988 177 T CB -0.048 68.718 68.868 -0.171 0.000 0.993 177 T HN 0.646 nan 8.240 nan 0.000 0.519 178 T N -2.488 112.296 114.554 0.384 0.000 3.252 178 T HA 0.263 4.614 4.350 0.001 0.000 0.286 178 T C -0.623 174.309 174.700 0.388 0.000 1.013 178 T CA -0.765 61.535 62.100 0.334 0.000 0.914 178 T CB -0.289 68.746 68.868 0.278 0.000 1.131 178 T HN 0.367 nan 8.240 nan 0.000 0.529 179 W N 4.002 125.379 121.300 0.128 0.000 2.278 179 W HA 0.538 5.199 4.660 0.002 0.000 0.317 179 W C -3.168 173.295 176.519 -0.094 0.000 1.030 179 W CA -3.520 53.755 57.345 -0.116 0.000 1.334 179 W CB 1.172 30.357 29.460 -0.459 0.000 1.215 179 W HN 0.038 nan 8.180 nan 0.000 0.405 180 P HA 0.000 nan 4.420 nan 0.000 0.271 180 P C 0.015 177.356 177.300 0.068 0.000 1.218 180 P CA 0.350 63.541 63.100 0.151 0.000 0.780 180 P CB 0.759 32.533 31.700 0.125 0.000 0.901 181 D N 2.830 123.238 120.400 0.013 0.000 2.488 181 D HA -0.104 4.537 4.640 0.001 0.000 0.238 181 D C 0.080 176.421 176.300 0.069 0.000 1.138 181 D CA -0.076 53.878 54.000 -0.076 0.000 0.873 181 D CB -0.041 40.761 40.800 0.004 0.000 1.183 181 D HN 0.371 nan 8.370 nan 0.000 0.458 182 F N -0.188 119.712 119.950 -0.084 0.000 3.093 182 F HA -0.203 4.325 4.527 0.001 0.000 0.283 182 F C 1.233 177.014 175.800 -0.032 0.000 0.848 182 F CA 1.150 59.111 58.000 -0.065 0.000 1.059 182 F CB -1.504 37.463 39.000 -0.056 0.000 1.191 182 F HN 0.674 nan 8.300 nan 0.000 0.514 183 G N -0.795 108.075 108.800 0.116 0.000 3.175 183 G HA2 0.774 4.734 3.960 0.001 0.000 0.255 183 G HA3 0.774 4.734 3.960 0.001 0.000 0.255 183 G C -0.706 174.301 174.900 0.177 0.000 1.352 183 G CA -0.128 45.043 45.100 0.118 0.000 1.037 183 G HN 0.637 nan 8.290 nan 0.000 0.556 184 V N -2.953 116.923 119.914 -0.063 0.000 2.960 184 V HA 0.773 4.894 4.120 0.001 0.000 0.315 184 V C -2.739 172.783 176.094 -0.953 0.000 1.087 184 V CA -2.485 59.495 62.300 -0.534 0.000 0.982 184 V CB 1.662 33.144 31.823 -0.568 0.000 1.039 184 V HN 0.539 nan 8.190 nan 0.000 0.437 185 P HA 0.128 nan 4.420 nan 0.000 0.271 185 P C 0.875 177.838 177.300 -0.562 0.000 1.244 185 P CA -0.029 62.374 63.100 -1.162 0.000 0.793 185 P CB 0.551 31.538 31.700 -1.189 0.000 0.984 186 E N 0.550 120.583 120.200 -0.278 0.000 2.085 186 E HA -0.132 4.218 4.350 0.001 0.000 0.194 186 E C -0.119 176.436 176.600 -0.075 0.000 0.994 186 E CA 1.296 57.608 56.400 -0.147 0.000 0.801 186 E CB 0.061 29.683 29.700 -0.130 0.000 0.743 186 E HN 0.521 nan 8.360 nan 0.000 0.453 187 S N -2.065 113.616 115.700 -0.031 0.000 2.570 187 S HA 0.315 4.785 4.470 0.001 0.000 0.270 187 S C -2.504 172.195 174.600 0.165 0.000 1.149 187 S CA -1.224 57.013 58.200 0.063 0.000 0.837 187 S CB 1.820 65.005 63.200 -0.025 0.000 1.124 187 S HN -0.229 nan 8.310 nan 0.000 0.465 188 P HA -0.128 nan 4.420 nan 0.000 0.216 188 P C 1.641 178.810 177.300 -0.220 0.000 1.154 188 P CA 2.422 65.391 63.100 -0.218 0.000 0.865 188 P CB -0.208 31.260 31.700 -0.387 0.000 0.789 189 A N 0.061 122.750 122.820 -0.220 0.000 1.865 189 A HA -0.231 4.089 4.320 0.001 0.000 0.217 189 A C 2.427 179.923 177.584 -0.148 0.000 1.191 189 A CA 2.737 54.613 52.037 -0.269 0.000 0.623 189 A CB -1.680 17.297 19.000 -0.039 0.000 0.826 189 A HN 0.362 nan 8.150 nan 0.000 0.444 190 S N -1.257 114.394 115.700 -0.081 0.000 2.402 190 S HA -0.147 4.324 4.470 0.001 0.000 0.229 190 S C 1.839 176.553 174.600 0.190 0.000 1.021 190 S CA 1.357 59.517 58.200 -0.067 0.000 0.974 190 S CB -0.739 62.173 63.200 -0.480 0.000 0.800 190 S HN 0.578 nan 8.310 nan 0.000 0.484 191 F N 2.463 122.452 119.950 0.066 0.000 2.113 191 F HA 0.111 4.638 4.527 0.001 0.000 0.297 191 F C 1.917 177.786 175.800 0.115 0.000 1.103 191 F CA 1.237 59.336 58.000 0.165 0.000 1.248 191 F CB -0.403 38.658 39.000 0.101 0.000 0.999 191 F HN 0.131 nan 8.300 nan 0.000 0.475 192 L N 0.336 121.447 121.223 -0.187 0.000 2.093 192 L HA -0.228 4.112 4.340 0.001 0.000 0.208 192 L C 2.272 178.941 176.870 -0.335 0.000 1.085 192 L CA 1.620 56.143 54.840 -0.527 0.000 0.755 192 L CB -0.974 40.273 42.059 -1.354 0.000 0.904 192 L HN 0.259 nan 8.230 nan 0.000 0.435 193 N N 0.374 118.988 118.700 -0.142 0.000 2.061 193 N HA -0.295 4.445 4.740 0.001 0.000 0.193 193 N C 1.769 177.274 175.510 -0.008 0.000 1.030 193 N CA 1.646 54.737 53.050 0.069 0.000 0.856 193 N CB -0.262 38.348 38.487 0.206 0.000 1.023 193 N HN 0.274 nan 8.380 nan 0.000 0.424 194 F N 0.217 120.046 119.950 -0.202 0.000 2.146 194 F HA -0.026 4.501 4.527 0.001 0.000 0.298 194 F C 1.995 177.651 175.800 -0.240 0.000 1.096 194 F CA 0.814 58.593 58.000 -0.369 0.000 1.275 194 F CB -0.543 38.335 39.000 -0.205 0.000 1.008 194 F HN 0.157 nan 8.300 nan 0.000 0.480 195 L N -0.114 120.976 121.223 -0.221 0.000 2.046 195 L HA -0.171 4.169 4.340 0.001 0.000 0.208 195 L C 2.081 178.812 176.870 -0.231 0.000 1.077 195 L CA 1.926 56.590 54.840 -0.294 0.000 0.747 195 L CB -1.276 40.499 42.059 -0.473 0.000 0.896 195 L HN 0.205 nan 8.230 nan 0.000 0.432 196 F N -0.447 119.308 119.950 -0.325 0.000 2.293 196 F HA -0.170 4.357 4.527 0.001 0.000 0.300 196 F C 2.403 178.050 175.800 -0.255 0.000 1.086 196 F CA 0.769 58.619 58.000 -0.251 0.000 1.375 196 F CB -0.198 38.705 39.000 -0.161 0.000 1.045 196 F HN 0.018 nan 8.300 nan 0.000 0.516 197 K N 0.300 120.606 120.400 -0.156 0.000 2.026 197 K HA -0.137 4.183 4.320 0.001 0.000 0.208 197 K C 2.096 178.469 176.600 -0.379 0.000 1.048 197 K CA 1.217 57.380 56.287 -0.206 0.000 0.929 197 K CB -0.731 31.601 32.500 -0.279 0.000 0.713 197 K HN 0.145 nan 8.250 nan 0.000 0.439 198 V N 1.236 120.696 119.914 -0.757 0.000 2.295 198 V HA -0.243 3.878 4.120 0.001 0.000 0.246 198 V C 2.464 178.235 176.094 -0.538 0.000 1.049 198 V CA 1.661 63.299 62.300 -1.105 0.000 1.024 198 V CB -0.463 30.803 31.823 -0.929 0.000 0.648 198 V HN 0.309 nan 8.190 nan 0.000 0.447 199 R N -0.019 120.245 120.500 -0.394 0.000 2.083 199 R HA -0.193 4.148 4.340 0.001 0.000 0.237 199 R C 2.303 178.482 176.300 -0.201 0.000 1.137 199 R CA 1.880 57.796 56.100 -0.307 0.000 0.951 199 R CB -0.362 29.663 30.300 -0.458 0.000 0.851 199 R HN 0.609 nan 8.270 nan 0.000 0.434 200 E N 0.284 120.384 120.200 -0.165 0.000 2.265 200 E HA -0.138 4.213 4.350 0.001 0.000 0.196 200 E C 1.906 178.504 176.600 -0.003 0.000 0.996 200 E CA 1.320 57.684 56.400 -0.060 0.000 0.832 200 E CB 0.023 29.717 29.700 -0.011 0.000 0.756 200 E HN 0.355 nan 8.360 nan 0.000 0.491 201 S N -0.621 115.083 115.700 0.007 0.000 2.474 201 S HA -0.006 4.465 4.470 0.001 0.000 0.235 201 S C 1.771 176.429 174.600 0.096 0.000 0.997 201 S CA 0.712 58.978 58.200 0.110 0.000 0.949 201 S CB 0.041 63.420 63.200 0.300 0.000 0.766 201 S HN 0.385 nan 8.310 nan 0.000 0.517 202 G N 0.416 109.245 108.800 0.049 0.000 2.179 202 G HA2 -0.313 3.647 3.960 0.001 0.000 0.260 202 G HA3 -0.313 3.647 3.960 0.001 0.000 0.260 202 G C 0.967 175.967 174.900 0.166 0.000 0.977 202 G CA 0.514 45.671 45.100 0.094 0.000 0.641 202 G HN 0.634 nan 8.290 nan 0.000 0.533 203 S N -0.161 115.591 115.700 0.086 0.000 2.442 203 S HA 0.060 4.531 4.470 0.001 0.000 0.236 203 S C 2.012 176.654 174.600 0.069 0.000 1.007 203 S CA 1.241 59.474 58.200 0.055 0.000 0.965 203 S CB -0.122 63.114 63.200 0.059 0.000 0.773 203 S HN 0.533 nan 8.310 nan 0.000 0.504 204 L N 1.084 122.320 121.223 0.022 0.000 2.592 204 L HA 0.201 4.542 4.340 0.001 0.000 0.227 204 L C 1.089 177.944 176.870 -0.025 0.000 1.127 204 L CA -0.243 54.581 54.840 -0.025 0.000 0.884 204 L CB -0.219 41.797 42.059 -0.073 0.000 1.065 204 L HN 0.143 nan 8.230 nan 0.000 0.457 205 S N 1.448 117.170 115.700 0.038 0.000 2.558 205 S HA 0.067 4.538 4.470 0.001 0.000 0.288 205 S C -0.999 173.555 174.600 -0.077 0.000 1.318 205 S CA -1.056 57.118 58.200 -0.043 0.000 1.056 205 S CB 0.731 63.867 63.200 -0.107 0.000 0.853 205 S HN 0.061 nan 8.310 nan 0.000 0.505 206 P HA -0.037 nan 4.420 nan 0.000 0.226 206 P C 0.675 177.903 177.300 -0.120 0.000 1.153 206 P CA 0.703 63.742 63.100 -0.101 0.000 0.777 206 P CB 0.111 31.756 31.700 -0.091 0.000 0.794 207 E N -0.589 119.495 120.200 -0.194 0.000 2.418 207 E HA -0.078 4.272 4.350 0.001 0.000 0.197 207 E C 0.349 176.780 176.600 -0.282 0.000 1.026 207 E CA 0.588 56.837 56.400 -0.251 0.000 0.862 207 E CB -0.505 29.000 29.700 -0.324 0.000 0.799 207 E HN 0.593 nan 8.360 nan 0.000 0.518 208 H N -0.905 118.128 119.070 -0.061 0.000 2.525 208 H HA 0.445 5.001 4.556 0.001 0.000 0.340 208 H C 0.795 176.076 175.328 -0.078 0.000 1.168 208 H CA -0.463 55.546 56.048 -0.066 0.000 1.247 208 H CB 1.198 30.928 29.762 -0.053 0.000 1.568 208 H HN 0.011 nan 8.280 nan 0.000 0.536 209 G N 1.278 110.113 108.800 0.059 0.000 2.732 209 G HA2 0.072 4.032 3.960 0.001 0.000 0.244 209 G HA3 0.072 4.032 3.960 0.001 0.000 0.244 209 G C -2.297 172.591 174.900 -0.021 0.000 1.226 209 G CA -0.922 44.171 45.100 -0.013 0.000 0.860 209 G HN 0.403 nan 8.290 nan 0.000 0.583 210 P HA 0.097 nan 4.420 nan 0.000 0.268 210 P C 0.368 177.642 177.300 -0.044 0.000 1.204 210 P CA -0.325 62.728 63.100 -0.078 0.000 0.768 210 P CB 1.067 32.715 31.700 -0.088 0.000 0.842 211 V N 4.683 124.586 119.914 -0.019 0.000 2.788 211 V HA -0.040 4.080 4.120 0.001 0.000 0.307 211 V C 0.035 176.159 176.094 0.050 0.000 1.069 211 V CA 0.210 62.532 62.300 0.037 0.000 1.173 211 V CB 0.630 32.509 31.823 0.093 0.000 0.925 211 V HN 0.200 nan 8.190 nan 0.000 0.492 212 V N 7.487 127.415 119.914 0.024 0.000 2.406 212 V HA 0.361 4.482 4.120 0.001 0.000 0.272 212 V C -0.016 176.115 176.094 0.061 0.000 1.043 212 V CA -0.242 62.059 62.300 0.002 0.000 0.915 212 V CB 1.381 33.129 31.823 -0.126 0.000 0.988 212 V HN 0.668 nan 8.190 nan 0.000 0.466 213 V N 5.546 125.491 119.914 0.053 0.000 2.540 213 V HA 0.625 4.745 4.120 0.001 0.000 0.302 213 V C -0.613 175.498 176.094 0.028 0.000 1.035 213 V CA -0.630 61.654 62.300 -0.026 0.000 0.873 213 V CB 1.679 33.471 31.823 -0.052 0.000 0.992 213 V HN 1.168 nan 8.190 nan 0.000 0.428 214 H N 2.252 121.267 119.070 -0.092 0.000 2.954 214 H HA 0.711 5.267 4.556 0.002 0.000 0.361 214 H C -0.168 175.079 175.328 -0.135 0.000 1.122 214 H CA -0.459 55.535 56.048 -0.090 0.000 1.217 214 H CB 1.071 30.804 29.762 -0.048 0.000 1.776 214 H HN 0.701 nan 8.280 nan 0.000 0.533 215 C N 1.228 120.442 119.300 -0.143 0.000 2.057 215 C HA 0.554 5.015 4.460 0.001 0.000 0.076 215 C C 2.125 177.187 174.990 0.120 0.000 2.621 215 C CA 0.251 59.186 59.018 -0.139 0.000 1.872 215 C CB 0.442 28.002 27.740 -0.300 0.000 2.708 215 C HN 0.824 nan 8.230 nan 0.000 0.295 216 S N 0.241 115.958 115.700 0.029 0.000 2.355 216 S HA 0.185 4.656 4.470 0.001 0.000 0.216 216 S C 1.935 176.666 174.600 0.218 0.000 1.037 216 S CA 1.187 59.472 58.200 0.142 0.000 0.955 216 S CB -0.709 62.587 63.200 0.160 0.000 0.877 216 S HN 0.907 nan 8.310 nan 0.000 0.488 217 A N -0.418 122.463 122.820 0.102 0.000 2.095 217 A HA 0.511 4.831 4.320 0.001 0.000 0.212 217 A C 1.537 179.134 177.584 0.021 0.000 1.162 217 A CA 0.934 53.034 52.037 0.105 0.000 0.753 217 A CB -0.704 18.179 19.000 -0.194 0.000 0.840 217 A HN 1.330 nan 8.150 nan 0.000 0.468 218 G N -0.226 108.552 108.800 -0.036 0.000 2.182 218 G HA2 -0.266 3.695 3.960 0.001 0.000 0.248 218 G HA3 -0.266 3.695 3.960 0.001 0.000 0.248 218 G C 0.612 175.467 174.900 -0.074 0.000 1.042 218 G CA 0.838 45.912 45.100 -0.042 0.000 0.775 218 G HN 1.350 nan 8.290 nan 0.000 0.501 219 I N -5.042 115.456 120.570 -0.121 0.000 4.738 219 I HA 0.455 4.626 4.170 0.001 0.000 0.315 219 I C 1.853 177.895 176.117 -0.125 0.000 1.214 219 I CA 0.807 62.047 61.300 -0.099 0.000 1.337 219 I CB -0.352 37.603 38.000 -0.075 0.000 1.433 219 I HN 0.078 nan 8.210 nan 0.000 0.472 220 G N 1.824 110.489 108.800 -0.225 0.000 2.654 220 G HA2 0.007 3.967 3.960 0.001 0.000 0.215 220 G HA3 0.007 3.967 3.960 0.001 0.000 0.215 220 G C 1.561 176.286 174.900 -0.291 0.000 1.310 220 G CA 0.556 45.503 45.100 -0.256 0.000 0.866 220 G HN 0.182 nan 8.290 nan 0.000 0.558 221 R N 0.373 120.559 120.500 -0.525 0.000 2.091 221 R HA -0.063 4.278 4.340 0.001 0.000 0.238 221 R C 3.026 178.996 176.300 -0.550 0.000 1.136 221 R CA 1.586 57.147 56.100 -0.898 0.000 0.959 221 R CB -0.460 28.948 30.300 -1.486 0.000 0.856 221 R HN 0.305 nan 8.270 nan 0.000 0.437 222 S N -0.034 115.448 115.700 -0.364 0.000 2.359 222 S HA -0.132 4.338 4.470 0.001 0.000 0.224 222 S C 2.063 176.642 174.600 -0.034 0.000 1.035 222 S CA 1.398 59.496 58.200 -0.171 0.000 1.018 222 S CB -0.544 62.569 63.200 -0.144 0.000 0.876 222 S HN 0.646 nan 8.310 nan 0.000 0.448 223 G N 1.219 109.987 108.800 -0.052 0.000 2.418 223 G HA2 -0.203 3.757 3.960 0.001 0.000 0.217 223 G HA3 -0.203 3.757 3.960 0.001 0.000 0.217 223 G C 1.459 176.388 174.900 0.050 0.000 1.158 223 G CA 1.541 46.642 45.100 0.002 0.000 0.771 223 G HN 0.500 nan 8.290 nan 0.000 0.545 224 T N 0.692 115.293 114.554 0.078 0.000 2.708 224 T HA -0.131 4.220 4.350 0.001 0.000 0.266 224 T C 1.927 176.777 174.700 0.250 0.000 1.037 224 T CA 1.176 63.373 62.100 0.162 0.000 1.146 224 T CB -0.316 68.718 68.868 0.277 0.000 0.865 224 T HN 0.265 nan 8.240 nan 0.000 0.435 225 F N 1.393 121.492 119.950 0.248 0.000 2.069 225 F HA -0.191 4.337 4.527 0.001 0.000 0.298 225 F C 2.454 178.350 175.800 0.160 0.000 1.113 225 F CA 1.081 59.332 58.000 0.418 0.000 1.214 225 F CB -0.640 38.554 39.000 0.323 0.000 0.978 225 F HN 0.159 nan 8.300 nan 0.000 0.474 226 C N 0.076 119.423 119.300 0.079 0.000 2.440 226 C HA -0.099 4.361 4.460 0.001 0.000 0.278 226 C C 2.623 177.455 174.990 -0.264 0.000 1.295 226 C CA 0.719 59.507 59.018 -0.384 0.000 1.738 226 C CB -1.425 25.947 27.740 -0.614 0.000 1.987 226 C HN 0.653 nan 8.230 nan 0.000 0.492 227 L N 2.118 123.288 121.223 -0.090 0.000 2.017 227 L HA -0.066 4.274 4.340 0.001 0.000 0.208 227 L C 2.613 179.462 176.870 -0.034 0.000 1.073 227 L CA 2.452 57.272 54.840 -0.033 0.000 0.745 227 L CB -0.996 41.075 42.059 0.018 0.000 0.894 227 L HN 0.266 nan 8.230 nan 0.000 0.432 228 A N -0.787 122.017 122.820 -0.026 0.000 1.883 228 A HA -0.306 4.015 4.320 0.001 0.000 0.217 228 A C 2.104 179.682 177.584 -0.011 0.000 1.186 228 A CA 2.047 54.079 52.037 -0.009 0.000 0.624 228 A CB -1.151 17.889 19.000 0.067 0.000 0.822 228 A HN 0.607 nan 8.150 nan 0.000 0.444 229 D N -1.239 119.109 120.400 -0.086 0.000 2.097 229 D HA -0.117 4.524 4.640 0.001 0.000 0.195 229 D C 1.971 178.287 176.300 0.026 0.000 0.989 229 D CA 2.034 55.981 54.000 -0.089 0.000 0.827 229 D CB -0.195 40.499 40.800 -0.176 0.000 0.966 229 D HN 0.351 nan 8.370 nan 0.000 0.456 230 T N -0.910 113.686 114.554 0.069 0.000 2.746 230 T HA -0.168 4.183 4.350 0.001 0.000 0.267 230 T C 2.208 176.941 174.700 0.056 0.000 1.039 230 T CA 1.255 63.425 62.100 0.117 0.000 1.142 230 T CB -0.659 68.295 68.868 0.144 0.000 0.866 230 T HN 0.304 nan 8.240 nan 0.000 0.444 231 C N 0.980 120.295 119.300 0.024 0.000 2.413 231 C HA 0.018 4.478 4.460 0.001 0.000 0.276 231 C C 2.705 177.706 174.990 0.019 0.000 1.248 231 C CA 0.442 59.464 59.018 0.007 0.000 1.742 231 C CB -1.414 26.306 27.740 -0.033 0.000 2.017 231 C HN 0.519 nan 8.230 nan 0.000 0.481 232 L N 0.032 121.272 121.223 0.029 0.000 2.046 232 L HA -0.150 4.190 4.340 0.001 0.000 0.208 232 L C 2.538 179.439 176.870 0.052 0.000 1.077 232 L CA 0.999 55.874 54.840 0.059 0.000 0.747 232 L CB -0.682 41.428 42.059 0.084 0.000 0.896 232 L HN 0.320 nan 8.230 nan 0.000 0.432 233 L N -0.240 121.003 121.223 0.033 0.000 2.027 233 L HA -0.185 4.155 4.340 0.001 0.000 0.206 233 L C 2.321 179.207 176.870 0.026 0.000 1.074 233 L CA 1.651 56.504 54.840 0.022 0.000 0.745 233 L CB -0.413 41.654 42.059 0.014 0.000 0.898 233 L HN 0.075 nan 8.230 nan 0.000 0.433 234 L N -1.146 120.095 121.223 0.031 0.000 1.989 234 L HA -0.298 4.042 4.340 0.001 0.000 0.211 234 L C 2.692 179.578 176.870 0.027 0.000 1.071 234 L CA 2.181 57.038 54.840 0.028 0.000 0.749 234 L CB -0.566 41.512 42.059 0.032 0.000 0.890 234 L HN 0.421 nan 8.230 nan 0.000 0.431 235 M N -0.358 119.261 119.600 0.031 0.000 2.106 235 M HA -0.288 4.193 4.480 0.001 0.000 0.259 235 M C 1.862 178.184 176.300 0.037 0.000 1.068 235 M CA 2.137 57.458 55.300 0.034 0.000 1.100 235 M CB -0.225 32.401 32.600 0.044 0.000 1.351 235 M HN 0.204 nan 8.290 nan 0.000 0.404 236 D N 0.260 120.687 120.400 0.044 0.000 2.117 236 D HA -0.190 4.450 4.640 0.001 0.000 0.198 236 D C 1.908 178.221 176.300 0.022 0.000 0.982 236 D CA 1.363 55.388 54.000 0.042 0.000 0.828 236 D CB -0.180 40.651 40.800 0.052 0.000 0.967 236 D HN 0.421 nan 8.370 nan 0.000 0.464 237 K N 0.118 120.528 120.400 0.017 0.000 2.097 237 K HA -0.103 4.218 4.320 0.001 0.000 0.206 237 K C 1.913 178.517 176.600 0.008 0.000 1.049 237 K CA 0.982 57.274 56.287 0.008 0.000 0.933 237 K CB 0.096 32.600 32.500 0.007 0.000 0.717 237 K HN 0.032 nan 8.250 nan 0.000 0.442 238 R N 0.031 120.539 120.500 0.012 0.000 2.290 238 R HA 0.100 4.440 4.340 0.001 0.000 0.197 238 R C -0.124 176.182 176.300 0.009 0.000 0.913 238 R CA -0.080 56.026 56.100 0.011 0.000 1.040 238 R CB 0.419 30.728 30.300 0.014 0.000 0.992 238 R HN 0.004 nan 8.270 nan 0.000 0.500 239 K N 1.984 122.390 120.400 0.011 0.000 3.156 239 K HA -0.192 4.129 4.320 0.001 0.000 0.266 239 K C -0.885 175.722 176.600 0.011 0.000 0.966 239 K CA 0.926 57.218 56.287 0.009 0.000 0.719 239 K CB -1.319 31.181 32.500 -0.001 0.000 1.333 239 K HN 0.277 nan 8.250 nan 0.000 0.468 240 D N -0.882 119.528 120.400 0.017 0.000 2.337 240 D HA 0.252 4.893 4.640 0.001 0.000 0.238 240 D C -2.023 174.289 176.300 0.021 0.000 1.331 240 D CA -1.831 52.179 54.000 0.017 0.000 0.967 240 D CB 1.317 42.126 40.800 0.015 0.000 1.382 240 D HN -0.170 nan 8.370 nan 0.000 0.549 241 P HA -0.135 nan 4.420 nan 0.000 0.218 241 P C 1.343 178.656 177.300 0.023 0.000 1.148 241 P CA 1.066 64.181 63.100 0.025 0.000 0.822 241 P CB 0.228 31.945 31.700 0.028 0.000 0.784 242 S N -1.006 114.709 115.700 0.024 0.000 2.515 242 S HA -0.074 4.397 4.470 0.001 0.000 0.231 242 S C 1.879 176.494 174.600 0.025 0.000 0.987 242 S CA 1.034 59.251 58.200 0.027 0.000 0.936 242 S CB -1.363 61.853 63.200 0.026 0.000 0.766 242 S HN 0.244 nan 8.310 nan 0.000 0.528 243 S N 0.492 116.205 115.700 0.022 0.000 2.522 243 S HA 0.174 4.645 4.470 0.001 0.000 0.227 243 S C 0.490 175.103 174.600 0.022 0.000 0.986 243 S CA -0.185 58.029 58.200 0.022 0.000 0.929 243 S CB -0.494 62.718 63.200 0.020 0.000 0.769 243 S HN 0.303 nan 8.310 nan 0.000 0.529 244 V N 3.053 122.978 119.914 0.018 0.000 2.406 244 V HA 0.358 4.479 4.120 0.001 0.000 0.272 244 V C -0.367 175.731 176.094 0.007 0.000 1.043 244 V CA -0.643 61.663 62.300 0.011 0.000 0.915 244 V CB 1.241 33.063 31.823 -0.001 0.000 0.988 244 V HN 0.319 nan 8.190 nan 0.000 0.466 245 D N 4.721 125.131 120.400 0.016 0.000 2.473 245 D HA 0.330 4.971 4.640 0.001 0.000 0.226 245 D C 1.026 177.332 176.300 0.011 0.000 1.089 245 D CA -0.277 53.738 54.000 0.025 0.000 0.883 245 D CB 1.094 41.920 40.800 0.044 0.000 1.029 245 D HN 0.430 nan 8.370 nan 0.000 0.517 246 I N 2.792 123.332 120.570 -0.049 0.000 2.208 246 I HA -0.289 3.881 4.170 0.001 0.000 0.245 246 I C 2.234 178.368 176.117 0.028 0.000 1.097 246 I CA 0.933 62.174 61.300 -0.098 0.000 1.363 246 I CB 0.001 37.755 38.000 -0.410 0.000 1.051 246 I HN 0.291 nan 8.210 nan 0.000 0.413 247 K N 0.821 121.283 120.400 0.104 0.000 2.057 247 K HA -0.219 4.102 4.320 0.001 0.000 0.207 247 K C 2.190 178.859 176.600 0.114 0.000 1.049 247 K CA 1.228 57.607 56.287 0.154 0.000 0.931 247 K CB -0.209 32.399 32.500 0.180 0.000 0.714 247 K HN 0.240 nan 8.250 nan 0.000 0.440 248 K N 1.229 121.683 120.400 0.090 0.000 2.057 248 K HA -0.128 4.193 4.320 0.001 0.000 0.207 248 K C 1.993 178.647 176.600 0.091 0.000 1.049 248 K CA 1.090 57.427 56.287 0.082 0.000 0.931 248 K CB 0.074 32.615 32.500 0.067 0.000 0.714 248 K HN -0.072 nan 8.250 nan 0.000 0.440 249 V N 1.590 121.553 119.914 0.082 0.000 2.307 249 V HA -0.245 3.875 4.120 0.001 0.000 0.245 249 V C 2.282 178.446 176.094 0.116 0.000 1.045 249 V CA 1.413 63.768 62.300 0.091 0.000 1.024 249 V CB -0.456 31.404 31.823 0.062 0.000 0.651 249 V HN 0.346 nan 8.190 nan 0.000 0.449 250 L N -0.259 121.031 121.223 0.112 0.000 2.042 250 L HA -0.154 4.187 4.340 0.001 0.000 0.210 250 L C 2.193 179.153 176.870 0.149 0.000 1.076 250 L CA 1.874 56.795 54.840 0.134 0.000 0.749 250 L CB -0.625 41.525 42.059 0.152 0.000 0.893 250 L HN 0.205 nan 8.230 nan 0.000 0.432 251 L N -0.747 120.556 121.223 0.134 0.000 2.083 251 L HA -0.205 4.135 4.340 0.001 0.000 0.209 251 L C 2.561 179.520 176.870 0.149 0.000 1.083 251 L CA 1.387 56.301 54.840 0.124 0.000 0.752 251 L CB -0.509 41.606 42.059 0.094 0.000 0.899 251 L HN 0.338 nan 8.230 nan 0.000 0.433 252 E N 0.500 120.799 120.200 0.165 0.000 2.058 252 E HA -0.246 4.104 4.350 0.001 0.000 0.194 252 E C 2.219 179.030 176.600 0.352 0.000 0.997 252 E CA 1.668 58.203 56.400 0.225 0.000 0.801 252 E CB -0.158 29.673 29.700 0.218 0.000 0.746 252 E HN 0.318 nan 8.360 nan 0.000 0.450 253 M N -0.332 119.459 119.600 0.318 0.000 2.149 253 M HA -0.120 4.360 4.480 0.001 0.000 0.261 253 M C 2.263 178.806 176.300 0.404 0.000 1.064 253 M CA 1.486 57.014 55.300 0.379 0.000 1.102 253 M CB -0.224 32.507 32.600 0.218 0.000 1.369 253 M HN 0.003 nan 8.290 nan 0.000 0.408 254 R N 0.346 121.020 120.500 0.290 0.000 2.328 254 R HA -0.061 4.280 4.340 0.001 0.000 0.207 254 R C 1.746 178.274 176.300 0.380 0.000 1.056 254 R CA 0.662 56.935 56.100 0.290 0.000 1.016 254 R CB -0.105 30.318 30.300 0.205 0.000 0.872 254 R HN 0.430 nan 8.270 nan 0.000 0.471 255 K N -0.579 119.986 120.400 0.276 0.000 2.283 255 K HA -0.080 4.241 4.320 0.001 0.000 0.202 255 K C 0.960 177.663 176.600 0.173 0.000 1.048 255 K CA 1.087 57.472 56.287 0.163 0.000 0.948 255 K CB 0.145 32.514 32.500 -0.218 0.000 0.742 255 K HN 0.141 nan 8.250 nan 0.000 0.458 256 F N -0.153 120.090 119.950 0.489 0.000 2.678 256 F HA 0.224 4.751 4.527 0.001 0.000 0.291 256 F C 0.740 176.683 175.800 0.238 0.000 1.123 256 F CA -0.290 57.919 58.000 0.348 0.000 1.395 256 F CB 0.615 39.728 39.000 0.188 0.000 1.121 256 F HN -0.222 nan 8.300 nan 0.000 0.592 257 R N 1.037 121.720 120.500 0.306 0.000 2.566 257 R HA 0.404 4.744 4.340 0.001 0.000 0.271 257 R C -0.783 175.447 176.300 -0.116 0.000 1.071 257 R CA -0.745 55.274 56.100 -0.135 0.000 0.915 257 R CB 1.451 31.724 30.300 -0.044 0.000 1.228 257 R HN 0.103 nan 8.270 nan 0.000 0.449 258 M N 2.012 121.354 119.600 -0.430 0.000 2.245 258 M HA 0.361 4.841 4.480 0.001 0.000 0.330 258 M C 0.881 177.170 176.300 -0.018 0.000 1.098 258 M CA 1.314 56.550 55.300 -0.107 0.000 1.172 258 M CB 0.678 33.194 32.600 -0.141 0.000 1.467 258 M HN 0.819 nan 8.290 nan 0.000 0.454 259 G N 2.183 111.015 108.800 0.053 0.000 2.153 259 G HA2 -0.216 3.744 3.960 0.001 0.000 0.252 259 G HA3 -0.216 3.744 3.960 0.001 0.000 0.252 259 G C -0.114 174.832 174.900 0.077 0.000 0.994 259 G CA 0.131 45.270 45.100 0.064 0.000 0.698 259 G HN 0.776 nan 8.290 nan 0.000 0.521 260 L N 0.614 121.887 121.223 0.084 0.000 2.513 260 L HA 0.401 4.742 4.340 0.001 0.000 0.272 260 L C 1.407 178.356 176.870 0.132 0.000 1.187 260 L CA -0.067 54.821 54.840 0.080 0.000 0.895 260 L CB 0.190 42.303 42.059 0.090 0.000 1.147 260 L HN 0.336 nan 8.230 nan 0.000 0.483 261 I N 3.142 123.769 120.570 0.095 0.000 8.455 261 I HA -0.257 3.914 4.170 0.001 0.000 0.126 261 I C 0.553 176.793 176.117 0.206 0.000 1.855 261 I CA 0.210 61.586 61.300 0.126 0.000 2.041 261 I CB -0.276 37.835 38.000 0.184 0.000 3.831 261 I HN 0.837 nan 8.210 nan 0.000 0.170 262 Q N 2.891 122.734 119.800 0.071 0.000 2.350 262 Q HA 0.160 4.500 4.340 0.001 0.000 0.225 262 Q C 0.739 176.791 176.000 0.087 0.000 0.878 262 Q CA 1.346 57.238 55.803 0.149 0.000 0.935 262 Q CB 1.189 29.941 28.738 0.022 0.000 1.099 262 Q HN 0.880 nan 8.270 nan 0.000 0.527 263 T N -4.900 109.512 114.554 -0.237 0.000 2.883 263 T HA 0.659 5.010 4.350 0.001 0.000 0.296 263 T C 0.794 174.958 174.700 -0.893 0.000 1.117 263 T CA -0.149 61.670 62.100 -0.470 0.000 1.006 263 T CB 1.685 70.478 68.868 -0.125 0.000 1.191 263 T HN -0.092 nan 8.240 nan 0.000 0.508 264 A N 0.542 122.920 122.820 -0.738 0.000 1.972 264 A HA -0.011 4.310 4.320 0.001 0.000 0.219 264 A C 1.867 179.306 177.584 -0.242 0.000 1.169 264 A CA 2.056 53.863 52.037 -0.384 0.000 0.635 264 A CB -1.164 17.837 19.000 0.001 0.000 0.810 264 A HN 0.936 nan 8.150 nan 0.000 0.446 265 D N -0.896 119.371 120.400 -0.222 0.000 2.224 265 D HA -0.088 4.552 4.640 0.001 0.000 0.205 265 D C 2.148 178.360 176.300 -0.146 0.000 0.965 265 D CA 1.032 54.906 54.000 -0.211 0.000 0.852 265 D CB -0.119 40.599 40.800 -0.137 0.000 0.947 265 D HN 0.572 nan 8.370 nan 0.000 0.494 266 Q N -0.551 119.181 119.800 -0.113 0.000 2.119 266 Q HA -0.110 4.231 4.340 0.001 0.000 0.201 266 Q C 2.036 178.052 176.000 0.026 0.000 0.972 266 Q CA 0.642 56.435 55.803 -0.016 0.000 0.847 266 Q CB -0.021 28.710 28.738 -0.012 0.000 0.903 266 Q HN 0.285 nan 8.270 nan 0.000 0.433 267 L N 0.909 122.118 121.223 -0.022 0.000 2.027 267 L HA -0.181 4.160 4.340 0.001 0.000 0.206 267 L C 2.393 179.300 176.870 0.062 0.000 1.074 267 L CA 1.780 56.698 54.840 0.129 0.000 0.745 267 L CB -0.388 41.832 42.059 0.269 0.000 0.898 267 L HN 0.032 nan 8.230 nan 0.000 0.433 268 R N -1.427 118.836 120.500 -0.396 0.000 2.091 268 R HA -0.254 4.087 4.340 0.001 0.000 0.238 268 R C 2.377 178.538 176.300 -0.231 0.000 1.136 268 R CA 2.039 57.594 56.100 -0.908 0.000 0.959 268 R CB -0.617 28.785 30.300 -1.497 0.000 0.856 268 R HN 0.443 nan 8.270 nan 0.000 0.437 269 F N 1.107 120.903 119.950 -0.257 0.000 2.171 269 F HA -0.156 4.371 4.527 0.001 0.000 0.300 269 F C 2.227 177.903 175.800 -0.206 0.000 1.090 269 F CA 1.719 59.583 58.000 -0.226 0.000 1.293 269 F CB -0.167 38.667 39.000 -0.277 0.000 1.013 269 F HN -0.014 nan 8.300 nan 0.000 0.486 270 S N -0.403 115.287 115.700 -0.016 0.000 2.359 270 S HA -0.245 4.226 4.470 0.001 0.000 0.224 270 S C 1.780 176.306 174.600 -0.124 0.000 1.035 270 S CA 1.650 59.800 58.200 -0.083 0.000 1.018 270 S CB -0.816 62.413 63.200 0.047 0.000 0.876 270 S HN 0.507 nan 8.310 nan 0.000 0.448 271 Y N 1.706 121.944 120.300 -0.102 0.000 2.097 271 Y HA -0.166 4.384 4.550 0.001 0.000 0.282 271 Y C 2.280 177.991 175.900 -0.315 0.000 1.152 271 Y CA 1.266 59.331 58.100 -0.059 0.000 1.136 271 Y CB -0.477 38.148 38.460 0.274 0.000 0.975 271 Y HN 0.149 nan 8.280 nan 0.000 0.498 272 L N -0.830 120.196 121.223 -0.327 0.000 2.013 272 L HA -0.332 4.009 4.340 0.001 0.000 0.212 272 L C 2.707 179.253 176.870 -0.539 0.000 1.073 272 L CA 1.280 55.786 54.840 -0.557 0.000 0.753 272 L CB -0.919 40.758 42.059 -0.637 0.000 0.890 272 L HN 0.279 nan 8.230 nan 0.000 0.432 273 A N -0.534 121.871 122.820 -0.692 0.000 1.902 273 A HA -0.143 4.177 4.320 0.001 0.000 0.217 273 A C 2.305 179.726 177.584 -0.272 0.000 1.181 273 A CA 1.862 53.572 52.037 -0.545 0.000 0.623 273 A CB -0.796 17.820 19.000 -0.640 0.000 0.818 273 A HN 0.209 nan 8.150 nan 0.000 0.443 274 V N 0.185 119.965 119.914 -0.222 0.000 2.307 274 V HA -0.251 3.869 4.120 0.001 0.000 0.245 274 V C 2.427 178.470 176.094 -0.085 0.000 1.045 274 V CA 1.958 64.188 62.300 -0.116 0.000 1.024 274 V CB -0.755 30.988 31.823 -0.134 0.000 0.651 274 V HN 0.565 nan 8.190 nan 0.000 0.449 275 I N 0.283 120.775 120.570 -0.130 0.000 2.151 275 I HA -0.291 3.879 4.170 0.001 0.000 0.243 275 I C 2.634 178.719 176.117 -0.052 0.000 1.080 275 I CA 2.105 63.347 61.300 -0.097 0.000 1.339 275 I CB -0.352 37.547 38.000 -0.167 0.000 1.039 275 I HN 0.366 nan 8.210 nan 0.000 0.409 276 E N 1.309 121.453 120.200 -0.093 0.000 2.072 276 E HA -0.138 4.213 4.350 0.001 0.000 0.191 276 E C 2.184 178.883 176.600 0.165 0.000 0.985 276 E CA 1.568 57.971 56.400 0.005 0.000 0.801 276 E CB -0.528 29.113 29.700 -0.098 0.000 0.750 276 E HN 0.384 nan 8.360 nan 0.000 0.452 277 G N 0.243 109.084 108.800 0.068 0.000 2.432 277 G HA2 -0.232 3.728 3.960 0.001 0.000 0.219 277 G HA3 -0.232 3.728 3.960 0.001 0.000 0.219 277 G C 1.688 176.802 174.900 0.356 0.000 1.135 277 G CA 0.905 46.149 45.100 0.240 0.000 0.767 277 G HN 0.443 nan 8.290 nan 0.000 0.550 278 A N 1.016 123.957 122.820 0.202 0.000 1.986 278 A HA -0.088 4.232 4.320 0.001 0.000 0.220 278 A C 2.281 179.969 177.584 0.174 0.000 1.171 278 A CA 2.059 54.195 52.037 0.165 0.000 0.640 278 A CB -0.370 18.680 19.000 0.084 0.000 0.811 278 A HN 0.424 nan 8.150 nan 0.000 0.451 279 K N -1.542 118.971 120.400 0.190 0.000 2.044 279 K HA -0.180 4.141 4.320 0.001 0.000 0.210 279 K C 1.774 178.454 176.600 0.133 0.000 1.049 279 K CA 1.762 58.131 56.287 0.137 0.000 0.927 279 K CB -0.395 32.185 32.500 0.134 0.000 0.713 279 K HN 0.547 nan 8.250 nan 0.000 0.443 280 F N 1.807 121.818 119.950 0.102 0.000 2.102 280 F HA -0.205 4.323 4.527 0.001 0.000 0.298 280 F C 1.893 177.766 175.800 0.123 0.000 1.105 280 F CA 1.159 59.204 58.000 0.076 0.000 1.239 280 F CB -0.042 39.060 39.000 0.171 0.000 0.991 280 F HN -0.125 nan 8.300 nan 0.000 0.474 281 I N 0.446 121.191 120.570 0.293 0.000 2.151 281 I HA -0.296 3.874 4.170 0.001 0.000 0.243 281 I C 1.888 177.986 176.117 -0.032 0.000 1.080 281 I CA 1.461 62.848 61.300 0.144 0.000 1.339 281 I CB -1.266 36.850 38.000 0.193 0.000 1.039 281 I HN 0.266 nan 8.210 nan 0.000 0.409 282 M N -0.098 119.492 119.600 -0.016 0.000 2.505 282 M HA 0.256 4.736 4.480 0.001 0.000 0.230 282 M C 1.158 177.403 176.300 -0.091 0.000 1.153 282 M CA 0.297 55.573 55.300 -0.041 0.000 0.997 282 M CB -0.831 31.766 32.600 -0.006 0.000 1.606 282 M HN 0.432 nan 8.290 nan 0.000 0.481 283 G N 1.311 110.003 108.800 -0.180 0.000 2.141 283 G HA2 -0.182 3.778 3.960 0.001 0.000 0.195 283 G HA3 -0.182 3.778 3.960 0.001 0.000 0.195 283 G C -0.290 174.495 174.900 -0.192 0.000 1.012 283 G CA -0.086 44.874 45.100 -0.233 0.000 0.696 283 G HN 0.452 nan 8.290 nan 0.000 0.508 284 D N 0.664 120.961 120.400 -0.172 0.000 2.522 284 D HA 0.569 5.210 4.640 0.001 0.000 0.218 284 D C 1.540 177.742 176.300 -0.163 0.000 1.149 284 D CA 0.250 54.168 54.000 -0.137 0.000 0.981 284 D CB 0.326 41.074 40.800 -0.086 0.000 1.041 284 D HN 0.025 nan 8.370 nan 0.000 0.518 285 S N 0.983 116.576 115.700 -0.178 0.000 2.382 285 S HA -0.193 4.278 4.470 0.001 0.000 0.228 285 S C 2.048 176.625 174.600 -0.037 0.000 1.027 285 S CA 1.256 59.404 58.200 -0.087 0.000 0.991 285 S CB -0.148 63.012 63.200 -0.067 0.000 0.823 285 S HN 0.681 nan 8.310 nan 0.000 0.469 286 S N 1.217 116.859 115.700 -0.097 0.000 2.440 286 S HA -0.076 4.394 4.470 0.001 0.000 0.240 286 S C 1.762 176.217 174.600 -0.242 0.000 1.014 286 S CA 1.045 59.169 58.200 -0.127 0.000 0.980 286 S CB -0.670 62.470 63.200 -0.099 0.000 0.775 286 S HN 0.279 nan 8.310 nan 0.000 0.499 287 V N 1.559 121.268 119.914 -0.342 0.000 2.594 287 V HA -0.196 3.924 4.120 0.001 0.000 0.253 287 V C 2.770 178.118 176.094 -1.243 0.000 1.069 287 V CA 2.414 64.317 62.300 -0.661 0.000 1.082 287 V CB -0.788 30.687 31.823 -0.580 0.000 0.680 287 V HN 0.766 nan 8.190 nan 0.000 0.469 288 Q N -0.566 118.647 119.800 -0.978 0.000 2.096 288 Q HA -0.251 4.090 4.340 0.001 0.000 0.204 288 Q C 1.904 177.673 176.000 -0.384 0.000 0.982 288 Q CA 2.366 57.670 55.803 -0.832 0.000 0.850 288 Q CB -0.176 28.319 28.738 -0.405 0.000 0.901 288 Q HN 0.665 nan 8.270 nan 0.000 0.422 289 D N 0.098 120.343 120.400 -0.259 0.000 2.117 289 D HA -0.177 4.463 4.640 0.001 0.000 0.197 289 D C 1.944 178.177 176.300 -0.112 0.000 0.987 289 D CA 1.266 55.191 54.000 -0.124 0.000 0.829 289 D CB -0.136 40.611 40.800 -0.089 0.000 0.961 289 D HN 0.442 nan 8.370 nan 0.000 0.460 290 Q N -0.443 119.238 119.800 -0.198 0.000 2.084 290 Q HA -0.155 4.186 4.340 0.001 0.000 0.202 290 Q C 2.260 178.265 176.000 0.009 0.000 0.978 290 Q CA 1.045 56.777 55.803 -0.118 0.000 0.844 290 Q CB -0.073 28.568 28.738 -0.162 0.000 0.898 290 Q HN 0.403 nan 8.270 nan 0.000 0.426 291 W N 1.208 122.455 121.300 -0.089 0.000 2.355 291 W HA -0.101 4.559 4.660 0.001 0.000 0.309 291 W C 2.072 178.550 176.519 -0.067 0.000 1.206 291 W CA 0.673 57.956 57.345 -0.103 0.000 1.284 291 W CB -0.938 28.426 29.460 -0.160 0.000 1.145 291 W HN 0.186 nan 8.180 nan 0.000 0.502 292 K N 0.514 121.021 120.400 0.179 0.000 2.032 292 K HA -0.212 4.109 4.320 0.001 0.000 0.209 292 K C 1.849 178.504 176.600 0.092 0.000 1.048 292 K CA 1.787 58.158 56.287 0.140 0.000 0.927 292 K CB -0.073 32.486 32.500 0.098 0.000 0.712 292 K HN -0.050 nan 8.250 nan 0.000 0.441 293 E N 0.776 121.005 120.200 0.049 0.000 2.028 293 E HA -0.174 4.177 4.350 0.001 0.000 0.191 293 E C 2.188 178.746 176.600 -0.070 0.000 0.988 293 E CA 1.034 57.450 56.400 0.026 0.000 0.799 293 E CB -0.276 29.440 29.700 0.026 0.000 0.755 293 E HN 0.358 nan 8.360 nan 0.000 0.447 294 L N 1.648 122.811 121.223 -0.099 0.000 2.187 294 L HA -0.166 4.174 4.340 0.001 0.000 0.213 294 L C 2.637 179.138 176.870 -0.614 0.000 1.100 294 L CA 1.348 56.023 54.840 -0.275 0.000 0.765 294 L CB -0.531 41.482 42.059 -0.077 0.000 0.904 294 L HN 0.137 nan 8.230 nan 0.000 0.437 295 S N -1.573 113.943 115.700 -0.306 0.000 2.453 295 S HA -0.183 4.288 4.470 0.001 0.000 0.231 295 S C 0.684 175.176 174.600 -0.180 0.000 1.005 295 S CA 0.497 58.554 58.200 -0.239 0.000 0.949 295 S CB -0.491 62.769 63.200 0.099 0.000 0.774 295 S HN 0.659 nan 8.310 nan 0.000 0.510 296 H N 1.299 120.432 119.070 0.105 0.000 2.770 296 H HA -0.142 4.414 4.556 0.001 0.000 0.309 296 H C 0.958 176.387 175.328 0.168 0.000 1.206 296 H CA 0.726 56.834 56.048 0.100 0.000 1.147 296 H CB -2.249 27.541 29.762 0.047 0.000 1.422 296 H HN 0.867 nan 8.280 nan 0.000 0.420 297 E N -0.130 120.250 120.200 0.299 0.000 2.338 297 E HA -0.092 4.258 4.350 0.001 0.000 0.197 297 E C 0.407 177.061 176.600 0.091 0.000 1.007 297 E CA 0.946 57.502 56.400 0.261 0.000 0.849 297 E CB 0.370 30.229 29.700 0.265 0.000 0.774 297 E HN 0.490 nan 8.360 nan 0.000 0.506 298 D N 0.000 120.461 120.400 0.101 0.000 6.856 298 D HA 0.000 4.641 4.640 0.001 0.000 0.175 298 D CA 0.000 54.031 54.000 0.051 0.000 0.868 298 D CB 0.000 40.831 40.800 0.053 0.000 0.688 298 D HN 0.000 nan 8.370 nan 0.000 0.683