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 1wxw_1_D DATA FIRST_RESID 2 DATA SEQUENCE RIQVNAKGAA RLLSRHLWVF RRDVVSGPET PGLYPVYWGR RFLALALYNP DATA SEQUENCE HTDLAVRAYR FAPAEDPVAA LLENLAQALA RREAVLRQDP EGGYRLVHAE DATA SEQUENCE GDLLPGLVVD YYAGHAVVQA TAHAWEGLLP QVAEALRPHV QSVLAKNDAR DATA SEQUENCE TRELEGLPLY VRPLLGEVPE RVQVQEGRVR YLVDLRAGQK TGAYLDQREN DATA SEQUENCE RLYXERFRGE RALDVFSYAG GFALHLALGF REVVAVDSSA EALRRAEENA DATA SEQUENCE RLNGLGNVRV LEANAFDLLR RLEKEGERFD LVVLDPPAFA KGKKDVERAY DATA SEQUENCE RAYKEVNLRA IKLLKEGGIL ATASCSHHXT EPLFYAXVAE AAQDAHRLLR DATA SEQUENCE VVEKRGQPFD HPVLLNHPET HYLKFAVFQV L 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.213 176.300 -0.145 0.000 0.893 2 R CA 0.000 56.067 56.100 -0.055 0.000 0.921 2 R CB 0.000 30.331 30.300 0.051 0.000 0.687 3 I N 2.534 123.114 120.570 0.018 0.000 2.533 3 I HA 0.381 4.551 4.170 -0.000 0.000 0.290 3 I C -0.736 175.471 176.117 0.151 0.000 1.056 3 I CA -0.959 60.346 61.300 0.008 0.000 1.057 3 I CB 2.095 40.112 38.000 0.029 0.000 1.240 3 I HN 0.323 nan 8.210 nan 0.000 0.423 4 Q N 5.660 125.544 119.800 0.140 0.000 2.333 4 Q HA 0.646 4.986 4.340 -0.000 0.000 0.267 4 Q C -0.747 175.363 176.000 0.184 0.000 1.012 4 Q CA -0.735 55.176 55.803 0.179 0.000 0.824 4 Q CB 3.228 32.044 28.738 0.130 0.000 1.290 4 Q HN 0.599 nan 8.270 nan 0.000 0.449 5 V N -0.362 119.683 119.914 0.219 0.000 2.864 5 V HA 0.636 4.756 4.120 -0.000 0.000 0.314 5 V C -0.134 176.102 176.094 0.236 0.000 1.073 5 V CA -1.165 61.246 62.300 0.184 0.000 0.956 5 V CB 1.773 33.671 31.823 0.126 0.000 1.023 5 V HN 0.854 nan 8.190 nan 0.000 0.435 6 N N 2.721 121.517 118.700 0.161 0.000 2.327 6 N HA 0.471 5.211 4.740 -0.000 0.000 0.257 6 N C 1.138 176.682 175.510 0.057 0.000 1.281 6 N CA 0.152 53.314 53.050 0.187 0.000 0.942 6 N CB 0.511 39.071 38.487 0.122 0.000 1.199 6 N HN 0.996 nan 8.380 nan 0.000 0.532 7 A N -0.513 122.370 122.820 0.104 0.000 1.978 7 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 7 A C 1.922 179.338 177.584 -0.279 0.000 1.170 7 A CA 1.423 53.349 52.037 -0.185 0.000 0.636 7 A CB -0.766 18.289 19.000 0.091 0.000 0.810 7 A HN 0.745 nan 8.150 nan 0.000 0.448 8 K N -0.954 119.375 120.400 -0.118 0.000 2.031 8 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 8 K C 2.198 178.729 176.600 -0.115 0.000 1.049 8 K CA 1.018 57.244 56.287 -0.102 0.000 0.939 8 K CB -0.445 32.032 32.500 -0.038 0.000 0.717 8 K HN 0.442 nan 8.250 nan 0.000 0.438 9 G N 1.042 109.794 108.800 -0.080 0.000 2.418 9 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 9 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 9 G C 1.605 176.428 174.900 -0.129 0.000 1.158 9 G CA 1.002 46.076 45.100 -0.044 0.000 0.771 9 G HN 0.353 nan 8.290 nan 0.000 0.545 10 A N 1.210 123.850 122.820 -0.301 0.000 1.902 10 A HA 0.242 4.562 4.320 -0.000 0.000 0.217 10 A C 2.831 180.178 177.584 -0.395 0.000 1.181 10 A CA 2.330 54.087 52.037 -0.467 0.000 0.623 10 A CB -0.829 17.446 19.000 -1.208 0.000 0.818 10 A HN 0.790 nan 8.150 nan 0.000 0.443 11 A N -0.170 122.421 122.820 -0.383 0.000 1.877 11 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 11 A C 2.227 179.709 177.584 -0.170 0.000 1.186 11 A CA 1.583 53.459 52.037 -0.267 0.000 0.620 11 A CB -0.498 18.372 19.000 -0.216 0.000 0.822 11 A HN 0.559 nan 8.150 nan 0.000 0.443 12 R N -0.556 119.869 120.500 -0.124 0.000 2.096 12 R HA -0.114 4.226 4.340 -0.000 0.000 0.240 12 R C 2.039 178.320 176.300 -0.031 0.000 1.139 12 R CA 1.717 57.782 56.100 -0.058 0.000 0.952 12 R CB -0.598 29.690 30.300 -0.020 0.000 0.854 12 R HN 0.509 nan 8.270 nan 0.000 0.436 13 L N 0.567 121.762 121.223 -0.047 0.000 2.201 13 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 13 L C 2.257 178.963 176.870 -0.272 0.000 1.105 13 L CA 0.875 55.680 54.840 -0.058 0.000 0.775 13 L CB -0.278 41.783 42.059 0.004 0.000 0.913 13 L HN 0.222 nan 8.230 nan 0.000 0.440 14 L N -0.700 120.384 121.223 -0.232 0.000 2.109 14 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 14 L C 2.610 179.333 176.870 -0.245 0.000 1.086 14 L CA 1.273 55.964 54.840 -0.248 0.000 0.760 14 L CB -0.528 41.414 42.059 -0.195 0.000 0.910 14 L HN 0.347 nan 8.230 nan 0.000 0.437 15 S N -1.079 114.511 115.700 -0.183 0.000 2.607 15 S HA -0.038 4.432 4.470 -0.000 0.000 0.224 15 S C 0.859 175.367 174.600 -0.153 0.000 0.969 15 S CA -0.179 57.942 58.200 -0.132 0.000 0.927 15 S CB 0.027 63.183 63.200 -0.073 0.000 0.772 15 S HN 0.363 nan 8.310 nan 0.000 0.533 16 R N 0.274 120.600 120.500 -0.290 0.000 3.854 16 R HA -0.138 4.202 4.340 -0.000 0.000 0.352 16 R C -0.259 176.047 176.300 0.010 0.000 1.156 16 R CA 0.882 56.750 56.100 -0.386 0.000 0.917 16 R CB -3.151 26.967 30.300 -0.304 0.000 1.471 16 R HN 0.797 nan 8.270 nan 0.000 0.521 17 H N 1.315 120.382 119.070 -0.005 0.000 2.562 17 H HA 0.203 4.759 4.556 -0.000 0.000 0.352 17 H C 1.358 176.829 175.328 0.238 0.000 1.125 17 H CA 0.193 56.278 56.048 0.062 0.000 1.379 17 H CB 0.742 30.476 29.762 -0.048 0.000 1.464 17 H HN 0.081 nan 8.280 nan 0.000 0.563 18 L N 2.480 123.838 121.223 0.225 0.000 2.558 18 L HA 0.041 4.381 4.340 -0.000 0.000 0.225 18 L C 0.057 177.230 176.870 0.505 0.000 1.128 18 L CA -0.019 55.004 54.840 0.306 0.000 0.868 18 L CB -0.009 42.081 42.059 0.052 0.000 1.006 18 L HN 0.328 nan 8.230 nan 0.000 0.454 19 W N 0.566 122.201 121.300 0.559 0.000 2.551 19 W HA 0.558 5.218 4.660 -0.000 0.000 0.330 19 W C -0.594 176.016 176.519 0.152 0.000 1.063 19 W CA -1.220 56.298 57.345 0.289 0.000 1.222 19 W CB 1.309 30.948 29.460 0.298 0.000 1.349 19 W HN -0.469 nan 8.180 nan 0.000 0.536 20 V N 4.439 124.471 119.914 0.198 0.000 2.524 20 V HA 0.320 4.440 4.120 -0.000 0.000 0.297 20 V C -0.414 175.654 176.094 -0.044 0.000 1.035 20 V CA -0.957 61.425 62.300 0.138 0.000 0.867 20 V CB 0.791 32.682 31.823 0.114 0.000 1.004 20 V HN 0.217 nan 8.190 nan 0.000 0.426 21 F N 2.491 122.453 119.950 0.019 0.000 2.378 21 F HA 0.474 5.001 4.527 -0.000 0.000 0.319 21 F C 1.737 177.519 175.800 -0.030 0.000 1.155 21 F CA -0.391 57.591 58.000 -0.029 0.000 1.157 21 F CB 0.576 39.557 39.000 -0.030 0.000 1.252 21 F HN 0.448 nan 8.300 nan 0.000 0.550 22 R N 0.682 121.251 120.500 0.115 0.000 2.133 22 R HA -0.213 4.126 4.340 -0.000 0.000 0.245 22 R C 1.951 178.297 176.300 0.077 0.000 1.137 22 R CA 2.081 58.212 56.100 0.052 0.000 0.947 22 R CB -0.165 30.158 30.300 0.038 0.000 0.865 22 R HN 0.587 nan 8.270 nan 0.000 0.437 23 R N -0.152 120.406 120.500 0.097 0.000 2.355 23 R HA -0.091 4.249 4.340 -0.000 0.000 0.219 23 R C 0.556 176.899 176.300 0.071 0.000 1.107 23 R CA 1.039 57.180 56.100 0.069 0.000 1.021 23 R CB 0.064 30.394 30.300 0.049 0.000 0.852 23 R HN 0.374 nan 8.270 nan 0.000 0.475 24 D N -0.105 120.350 120.400 0.090 0.000 2.398 24 D HA 0.006 4.646 4.640 -0.000 0.000 0.210 24 D C 0.093 176.449 176.300 0.093 0.000 1.094 24 D CA 0.281 54.330 54.000 0.083 0.000 0.839 24 D CB 0.829 41.679 40.800 0.085 0.000 0.963 24 D HN 0.033 nan 8.370 nan 0.000 0.506 25 V N 0.386 120.357 119.914 0.094 0.000 2.383 25 V HA 0.245 4.365 4.120 -0.000 0.000 0.275 25 V C 1.490 177.649 176.094 0.108 0.000 1.036 25 V CA -0.647 61.724 62.300 0.117 0.000 0.889 25 V CB 1.194 33.094 31.823 0.128 0.000 0.985 25 V HN -0.067 nan 8.190 nan 0.000 0.459 26 V N 2.122 122.105 119.914 0.116 0.000 2.725 26 V HA 0.318 4.438 4.120 -0.000 0.000 0.247 26 V C 0.891 177.034 176.094 0.080 0.000 1.058 26 V CA 1.184 63.540 62.300 0.093 0.000 1.080 26 V CB -0.583 31.299 31.823 0.097 0.000 0.713 26 V HN 1.408 nan 8.190 nan 0.000 0.465 27 S N -1.727 114.028 115.700 0.093 0.000 2.578 27 S HA 0.813 5.283 4.470 -0.000 0.000 0.272 27 S C -0.505 174.127 174.600 0.053 0.000 1.145 27 S CA 0.013 58.250 58.200 0.062 0.000 0.835 27 S CB 1.329 64.544 63.200 0.026 0.000 1.104 27 S HN 1.731 nan 8.310 nan 0.000 0.458 28 G N 0.396 109.188 108.800 -0.013 0.000 2.356 28 G HA2 0.612 4.572 3.960 -0.000 0.000 0.294 28 G HA3 0.612 4.572 3.960 -0.000 0.000 0.294 28 G C -3.508 171.229 174.900 -0.272 0.000 1.423 28 G CA -0.744 44.231 45.100 -0.209 0.000 0.806 28 G HN 0.722 nan 8.290 nan 0.000 0.527 29 P HA 0.128 nan 4.420 nan 0.000 0.270 29 P C 0.461 177.677 177.300 -0.140 0.000 1.216 29 P CA 0.106 62.945 63.100 -0.435 0.000 0.788 29 P CB 0.813 31.989 31.700 -0.873 0.000 0.883 30 E N -0.462 119.682 120.200 -0.093 0.000 2.472 30 E HA 0.020 4.369 4.350 -0.000 0.000 0.196 30 E C -0.385 176.197 176.600 -0.030 0.000 1.033 30 E CA 0.179 56.550 56.400 -0.049 0.000 0.886 30 E CB 0.275 29.948 29.700 -0.045 0.000 0.944 30 E HN 0.559 nan 8.360 nan 0.000 0.492 31 T N -0.763 113.809 114.554 0.029 0.000 2.876 31 T HA 0.491 4.841 4.350 -0.000 0.000 0.289 31 T C -2.743 172.060 174.700 0.171 0.000 1.014 31 T CA -2.212 59.925 62.100 0.061 0.000 0.986 31 T CB 1.712 70.619 68.868 0.065 0.000 1.021 31 T HN -0.207 nan 8.240 nan 0.000 0.458 32 P HA 0.515 nan 4.420 nan 0.000 0.270 32 P C 0.577 177.910 177.300 0.055 0.000 1.227 32 P CA 0.730 63.871 63.100 0.068 0.000 0.788 32 P CB 0.266 31.841 31.700 -0.209 0.000 0.926 33 G N -0.458 108.301 108.800 -0.068 0.000 2.350 33 G HA2 0.179 4.139 3.960 -0.000 0.000 0.276 33 G HA3 0.179 4.139 3.960 -0.000 0.000 0.276 33 G C -2.035 172.505 174.900 -0.601 0.000 1.313 33 G CA -0.849 44.032 45.100 -0.365 0.000 0.903 33 G HN 0.436 nan 8.290 nan 0.000 0.490 34 L N 0.820 121.600 121.223 -0.739 0.000 2.287 34 L HA 0.712 5.051 4.340 -0.000 0.000 0.287 34 L C -1.038 175.422 176.870 -0.684 0.000 1.022 34 L CA -0.692 53.854 54.840 -0.490 0.000 0.814 34 L CB 1.172 43.123 42.059 -0.180 0.000 1.217 34 L HN 0.544 nan 8.230 nan 0.000 0.420 35 Y N 2.678 122.969 120.300 -0.015 0.000 2.588 35 Y HA 0.540 5.090 4.550 -0.000 0.000 0.343 35 Y C -2.466 173.407 175.900 -0.046 0.000 1.065 35 Y CA -2.981 55.091 58.100 -0.046 0.000 1.038 35 Y CB 1.305 39.682 38.460 -0.138 0.000 1.297 35 Y HN 0.384 nan 8.280 nan 0.000 0.467 36 P HA 0.374 nan 4.420 nan 0.000 0.279 36 P C -1.176 176.109 177.300 -0.025 0.000 1.252 36 P CA -0.419 62.733 63.100 0.087 0.000 0.811 36 P CB 1.088 32.914 31.700 0.210 0.000 1.035 37 V N 2.537 122.301 119.914 -0.251 0.000 2.487 37 V HA 0.413 4.533 4.120 -0.000 0.000 0.298 37 V C -0.833 175.079 176.094 -0.303 0.000 1.028 37 V CA -0.326 61.883 62.300 -0.152 0.000 0.860 37 V CB 0.780 32.555 31.823 -0.081 0.000 0.991 37 V HN 0.442 nan 8.190 nan 0.000 0.427 38 Y N 2.141 122.498 120.300 0.094 0.000 2.536 38 Y HA 0.503 5.053 4.550 -0.000 0.000 0.347 38 Y C -0.752 175.281 175.900 0.222 0.000 1.000 38 Y CA -0.661 57.527 58.100 0.146 0.000 1.051 38 Y CB 2.139 40.690 38.460 0.152 0.000 1.259 38 Y HN 0.715 nan 8.280 nan 0.000 0.468 39 W N 3.844 125.268 121.300 0.207 0.000 2.322 39 W HA 0.543 5.203 4.660 -0.000 0.000 0.321 39 W C 0.380 176.973 176.519 0.122 0.000 0.991 39 W CA -0.401 57.017 57.345 0.122 0.000 1.448 39 W CB 0.301 29.807 29.460 0.077 0.000 1.239 39 W HN 0.874 nan 8.180 nan 0.000 0.399 40 G N 4.479 113.307 108.800 0.047 0.000 2.565 40 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.295 40 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.295 40 G C 1.193 176.065 174.900 -0.046 0.000 1.165 40 G CA 0.617 45.646 45.100 -0.119 0.000 0.977 40 G HN 0.542 nan 8.290 nan 0.000 0.546 41 R N 0.864 121.313 120.500 -0.084 0.000 2.312 41 R HA 0.167 4.507 4.340 -0.000 0.000 0.205 41 R C 1.397 177.754 176.300 0.094 0.000 0.904 41 R CA -0.033 56.021 56.100 -0.076 0.000 1.052 41 R CB 0.260 30.505 30.300 -0.092 0.000 1.014 41 R HN 0.424 nan 8.270 nan 0.000 0.503 42 R N 1.102 121.725 120.500 0.204 0.000 2.298 42 R HA 0.046 4.386 4.340 -0.000 0.000 0.310 42 R C -0.837 175.827 176.300 0.607 0.000 1.068 42 R CA -0.260 56.052 56.100 0.354 0.000 0.957 42 R CB 0.356 30.837 30.300 0.302 0.000 1.003 42 R HN -0.191 nan 8.270 nan 0.000 0.454 43 F N 5.344 125.549 119.950 0.424 0.000 2.443 43 F HA 0.130 4.657 4.527 -0.000 0.000 0.353 43 F C 0.106 175.928 175.800 0.037 0.000 1.101 43 F CA -0.002 58.055 58.000 0.095 0.000 1.226 43 F CB 0.662 39.715 39.000 0.088 0.000 1.140 43 F HN 0.527 nan 8.300 nan 0.000 0.557 44 L N 4.022 124.733 121.223 -0.854 0.000 2.586 44 L HA 0.584 4.924 4.340 -0.000 0.000 0.204 44 L C 0.335 176.755 176.870 -0.750 0.000 1.053 44 L CA 0.383 54.895 54.840 -0.545 0.000 0.856 44 L CB -0.085 41.836 42.059 -0.230 0.000 1.192 44 L HN 0.738 nan 8.230 nan 0.000 0.484 45 A N -0.362 121.772 122.820 -1.143 0.000 2.490 45 A HA 0.585 4.905 4.320 -0.000 0.000 0.292 45 A C -1.913 175.350 177.584 -0.535 0.000 1.047 45 A CA -0.609 50.996 52.037 -0.720 0.000 0.632 45 A CB 0.602 19.490 19.000 -0.187 0.000 1.323 45 A HN -0.018 nan 8.150 nan 0.000 0.448 46 L N 0.049 121.039 121.223 -0.389 0.000 2.334 46 L HA 0.838 5.178 4.340 -0.000 0.000 0.275 46 L C 0.432 176.900 176.870 -0.669 0.000 1.036 46 L CA -0.304 54.289 54.840 -0.413 0.000 0.807 46 L CB 1.625 43.399 42.059 -0.475 0.000 1.231 46 L HN 1.224 nan 8.230 nan 0.000 0.438 47 A N 2.314 124.863 122.820 -0.453 0.000 2.610 47 A HA 0.719 5.039 4.320 -0.000 0.000 0.291 47 A C -1.524 176.059 177.584 -0.002 0.000 1.086 47 A CA -0.603 51.275 52.037 -0.266 0.000 0.677 47 A CB 1.216 20.168 19.000 -0.080 0.000 1.278 47 A HN 0.464 nan 8.150 nan 0.000 0.414 48 L N 1.012 122.310 121.223 0.126 0.000 2.349 48 L HA 0.531 4.871 4.340 -0.000 0.000 0.275 48 L C -0.488 176.462 176.870 0.134 0.000 1.115 48 L CA 0.246 55.140 54.840 0.091 0.000 0.820 48 L CB 0.777 42.880 42.059 0.073 0.000 1.135 48 L HN 0.692 nan 8.230 nan 0.000 0.445 49 Y N 3.325 123.605 120.300 -0.034 0.000 2.512 49 Y HA 0.527 5.077 4.550 -0.000 0.000 0.348 49 Y C -0.612 175.305 175.900 0.028 0.000 0.990 49 Y CA -0.805 57.315 58.100 0.033 0.000 1.033 49 Y CB 1.661 40.224 38.460 0.172 0.000 1.259 49 Y HN 0.581 nan 8.280 nan 0.000 0.461 50 N N 6.092 124.651 118.700 -0.235 0.000 2.549 50 N HA 0.319 5.059 4.740 -0.000 0.000 0.290 50 N C -2.817 172.500 175.510 -0.323 0.000 1.122 50 N CA -1.913 51.062 53.050 -0.126 0.000 0.885 50 N CB 2.651 41.101 38.487 -0.062 0.000 1.455 50 N HN 0.343 nan 8.380 nan 0.000 0.521 51 P HA 0.105 nan 4.420 nan 0.000 0.241 51 P C 0.342 177.509 177.300 -0.222 0.000 1.191 51 P CA 0.702 63.696 63.100 -0.178 0.000 0.771 51 P CB 0.150 31.816 31.700 -0.057 0.000 0.929 52 H N -1.507 117.530 119.070 -0.055 0.000 2.549 52 H HA 0.231 4.787 4.556 -0.000 0.000 0.279 52 H C 0.512 175.813 175.328 -0.045 0.000 1.018 52 H CA 0.656 56.685 56.048 -0.032 0.000 1.175 52 H CB 0.186 29.941 29.762 -0.011 0.000 1.485 52 H HN 0.165 nan 8.280 nan 0.000 0.543 53 T N -2.743 111.816 114.554 0.009 0.000 2.906 53 T HA 0.129 4.479 4.350 -0.000 0.000 0.295 53 T C 0.801 175.457 174.700 -0.074 0.000 1.061 53 T CA -0.833 61.249 62.100 -0.029 0.000 1.000 53 T CB 2.818 71.653 68.868 -0.055 0.000 1.103 53 T HN -0.169 nan 8.240 nan 0.000 0.486 54 D N 0.071 120.454 120.400 -0.029 0.000 2.116 54 D HA -0.127 4.513 4.640 -0.000 0.000 0.193 54 D C 0.805 177.056 176.300 -0.082 0.000 0.998 54 D CA 0.930 54.952 54.000 0.037 0.000 0.836 54 D CB -0.164 40.713 40.800 0.128 0.000 0.951 54 D HN 0.432 nan 8.370 nan 0.000 0.449 55 L N 0.624 121.660 121.223 -0.312 0.000 2.401 55 L HA 0.453 4.793 4.340 -0.000 0.000 0.283 55 L C 0.804 177.370 176.870 -0.508 0.000 1.151 55 L CA -0.078 54.294 54.840 -0.780 0.000 0.942 55 L CB 0.246 41.762 42.059 -0.905 0.000 1.283 55 L HN 0.045 nan 8.230 nan 0.000 0.442 56 A N 4.137 126.689 122.820 -0.448 0.000 1.943 56 A HA 0.272 4.592 4.320 -0.000 0.000 0.213 56 A C 0.602 177.946 177.584 -0.401 0.000 1.181 56 A CA 0.527 52.294 52.037 -0.450 0.000 0.653 56 A CB 0.154 18.868 19.000 -0.478 0.000 0.833 56 A HN 0.414 nan 8.150 nan 0.000 0.451 57 V N 0.730 120.500 119.914 -0.241 0.000 2.417 57 V HA 0.441 4.561 4.120 -0.000 0.000 0.291 57 V C -0.439 175.682 176.094 0.046 0.000 1.024 57 V CA -0.592 61.685 62.300 -0.039 0.000 0.861 57 V CB 1.259 33.124 31.823 0.069 0.000 0.985 57 V HN 0.415 nan 8.190 nan 0.000 0.436 58 R N 3.341 123.905 120.500 0.107 0.000 2.415 58 R HA 0.644 4.984 4.340 -0.000 0.000 0.292 58 R C -0.101 176.291 176.300 0.153 0.000 1.295 58 R CA -0.324 55.913 56.100 0.229 0.000 1.137 58 R CB 1.765 32.192 30.300 0.211 0.000 1.135 58 R HN 0.831 nan 8.270 nan 0.000 0.560 59 A N 1.858 124.736 122.820 0.096 0.000 2.445 59 A HA 0.176 4.496 4.320 -0.000 0.000 0.242 59 A C -0.023 177.460 177.584 -0.170 0.000 1.075 59 A CA 0.069 52.017 52.037 -0.149 0.000 0.777 59 A CB -0.030 18.849 19.000 -0.202 0.000 1.013 59 A HN 0.892 nan 8.150 nan 0.000 0.493 60 Y N -1.072 119.045 120.300 -0.306 0.000 2.729 60 Y HA 0.542 5.092 4.550 -0.000 0.000 0.266 60 Y C 0.017 175.724 175.900 -0.321 0.000 1.064 60 Y CA -0.797 57.144 58.100 -0.264 0.000 1.251 60 Y CB 0.387 38.777 38.460 -0.117 0.000 1.379 60 Y HN 0.450 nan 8.280 nan 0.000 0.569 61 R N 0.822 120.959 120.500 -0.604 0.000 2.522 61 R HA 0.293 4.633 4.340 -0.000 0.000 0.273 61 R C -1.980 174.027 176.300 -0.489 0.000 1.133 61 R CA -0.559 55.301 56.100 -0.400 0.000 0.969 61 R CB 0.721 30.913 30.300 -0.180 0.000 1.235 61 R HN 0.199 nan 8.270 nan 0.000 0.433 62 F N 1.120 121.055 119.950 -0.026 0.000 2.983 62 F HA 0.559 5.085 4.527 -0.000 0.000 0.307 62 F C 0.515 176.356 175.800 0.070 0.000 1.218 62 F CA -0.511 57.454 58.000 -0.058 0.000 1.323 62 F CB 0.896 39.869 39.000 -0.046 0.000 0.989 62 F HN 0.498 nan 8.300 nan 0.000 0.509 63 A N -0.492 122.520 122.820 0.321 0.000 2.606 63 A HA 0.753 5.073 4.320 -0.000 0.000 0.293 63 A C -2.942 174.875 177.584 0.387 0.000 1.082 63 A CA -1.775 50.498 52.037 0.392 0.000 0.685 63 A CB 0.921 20.044 19.000 0.205 0.000 1.284 63 A HN -0.058 nan 8.150 nan 0.000 0.408 64 P HA 0.355 nan 4.420 nan 0.000 0.261 64 P C -0.593 176.648 177.300 -0.098 0.000 1.203 64 P CA 0.678 63.618 63.100 -0.266 0.000 0.767 64 P CB 0.665 32.236 31.700 -0.215 0.000 0.785 65 A N 3.453 126.214 122.820 -0.100 0.000 2.335 65 A HA 0.289 4.608 4.320 -0.000 0.000 0.304 65 A C 1.041 178.608 177.584 -0.030 0.000 1.118 65 A CA -0.590 51.435 52.037 -0.020 0.000 0.757 65 A CB 0.780 19.805 19.000 0.041 0.000 1.188 65 A HN 0.591 nan 8.150 nan 0.000 0.460 66 E N 1.471 121.659 120.200 -0.020 0.000 2.418 66 E HA -0.057 4.293 4.350 -0.000 0.000 0.197 66 E C -0.793 175.810 176.600 0.005 0.000 1.026 66 E CA 0.396 56.788 56.400 -0.013 0.000 0.862 66 E CB 0.036 29.729 29.700 -0.012 0.000 0.799 66 E HN 0.581 nan 8.360 nan 0.000 0.518 67 D N 2.262 122.672 120.400 0.017 0.000 2.396 67 D HA 0.129 4.769 4.640 -0.000 0.000 0.225 67 D C -1.891 174.434 176.300 0.042 0.000 1.121 67 D CA -1.772 52.243 54.000 0.026 0.000 0.853 67 D CB 1.860 42.678 40.800 0.029 0.000 1.043 67 D HN -0.036 nan 8.370 nan 0.000 0.500 68 P HA -0.100 nan 4.420 nan 0.000 0.206 68 P C 1.611 178.932 177.300 0.035 0.000 1.209 68 P CA 0.262 63.384 63.100 0.037 0.000 0.923 68 P CB 0.484 32.193 31.700 0.015 0.000 0.761 69 V N -0.284 119.620 119.914 -0.016 0.000 2.591 69 V HA -0.089 4.031 4.120 -0.000 0.000 0.249 69 V C 2.390 178.450 176.094 -0.055 0.000 1.053 69 V CA 1.758 64.016 62.300 -0.069 0.000 1.068 69 V CB -1.688 30.091 31.823 -0.075 0.000 0.689 69 V HN 0.078 nan 8.190 nan 0.000 0.462 70 A N 0.345 123.156 122.820 -0.015 0.000 1.933 70 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 70 A C 2.414 180.001 177.584 0.005 0.000 1.175 70 A CA 1.994 54.029 52.037 -0.003 0.000 0.628 70 A CB -0.627 18.378 19.000 0.008 0.000 0.814 70 A HN 0.543 nan 8.150 nan 0.000 0.444 71 A N -0.589 122.252 122.820 0.034 0.000 1.898 71 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 71 A C 2.109 179.705 177.584 0.019 0.000 1.181 71 A CA 1.652 53.736 52.037 0.078 0.000 0.620 71 A CB -0.575 18.528 19.000 0.172 0.000 0.819 71 A HN 0.618 nan 8.150 nan 0.000 0.442 72 L N -0.222 120.925 121.223 -0.126 0.000 2.046 72 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 72 L C 2.220 178.982 176.870 -0.181 0.000 1.077 72 L CA 1.646 56.207 54.840 -0.466 0.000 0.747 72 L CB -0.404 41.213 42.059 -0.736 0.000 0.896 72 L HN 0.401 nan 8.230 nan 0.000 0.432 73 L N -1.026 120.146 121.223 -0.084 0.000 2.217 73 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 73 L C 2.395 179.274 176.870 0.015 0.000 1.107 73 L CA 0.849 55.694 54.840 0.009 0.000 0.783 73 L CB -0.516 41.552 42.059 0.015 0.000 0.919 73 L HN 0.359 nan 8.230 nan 0.000 0.442 74 E N 0.108 120.310 120.200 0.004 0.000 2.047 74 E HA -0.194 4.155 4.350 -0.000 0.000 0.191 74 E C 1.852 178.461 176.600 0.015 0.000 0.987 74 E CA 1.072 57.482 56.400 0.016 0.000 0.799 74 E CB -0.071 29.644 29.700 0.026 0.000 0.752 74 E HN 0.433 nan 8.360 nan 0.000 0.449 75 N N 1.007 119.711 118.700 0.007 0.000 2.094 75 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 75 N C 1.805 177.321 175.510 0.010 0.000 1.023 75 N CA 0.730 53.785 53.050 0.008 0.000 0.857 75 N CB -0.406 38.072 38.487 -0.015 0.000 1.013 75 N HN 0.086 nan 8.380 nan 0.000 0.426 76 L N 0.968 122.209 121.223 0.030 0.000 1.989 76 L HA -0.080 4.260 4.340 -0.000 0.000 0.211 76 L C 2.056 178.926 176.870 -0.001 0.000 1.071 76 L CA 1.902 56.758 54.840 0.027 0.000 0.749 76 L CB -1.178 40.930 42.059 0.082 0.000 0.890 76 L HN 0.161 nan 8.230 nan 0.000 0.431 77 A N -1.004 121.823 122.820 0.011 0.000 1.892 77 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 77 A C 2.180 179.759 177.584 -0.009 0.000 1.188 77 A CA 2.092 54.133 52.037 0.006 0.000 0.631 77 A CB -0.716 18.294 19.000 0.017 0.000 0.822 77 A HN 0.708 nan 8.150 nan 0.000 0.447 78 Q N -0.838 118.960 119.800 -0.004 0.000 2.170 78 Q HA -0.077 4.262 4.340 -0.000 0.000 0.203 78 Q C 2.408 178.393 176.000 -0.025 0.000 0.976 78 Q CA 1.148 56.946 55.803 -0.009 0.000 0.858 78 Q CB -0.374 28.366 28.738 0.003 0.000 0.907 78 Q HN 0.708 nan 8.270 nan 0.000 0.433 79 A N 1.115 123.916 122.820 -0.032 0.000 1.877 79 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 79 A C 2.081 179.615 177.584 -0.084 0.000 1.186 79 A CA 1.021 53.026 52.037 -0.053 0.000 0.620 79 A CB -0.653 18.311 19.000 -0.061 0.000 0.822 79 A HN 0.268 nan 8.150 nan 0.000 0.443 80 L N -0.784 120.381 121.223 -0.096 0.000 2.046 80 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 80 L C 3.104 179.874 176.870 -0.167 0.000 1.077 80 L CA 1.077 55.822 54.840 -0.160 0.000 0.747 80 L CB -0.602 41.365 42.059 -0.154 0.000 0.896 80 L HN 0.452 nan 8.230 nan 0.000 0.432 81 A N 0.004 122.767 122.820 -0.094 0.000 1.978 81 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 81 A C 2.324 179.869 177.584 -0.066 0.000 1.170 81 A CA 1.383 53.379 52.037 -0.068 0.000 0.636 81 A CB -0.501 18.482 19.000 -0.029 0.000 0.810 81 A HN 0.331 nan 8.150 nan 0.000 0.448 82 R N -1.337 119.132 120.500 -0.051 0.000 2.285 82 R HA -0.011 4.329 4.340 -0.000 0.000 0.213 82 R C 1.131 177.430 176.300 -0.002 0.000 1.068 82 R CA 1.015 57.104 56.100 -0.017 0.000 1.004 82 R CB -0.036 30.269 30.300 0.008 0.000 0.873 82 R HN 0.327 nan 8.270 nan 0.000 0.467 83 R N -0.693 119.762 120.500 -0.074 0.000 2.472 83 R HA 0.069 4.409 4.340 -0.000 0.000 0.279 83 R C 1.238 177.414 176.300 -0.206 0.000 0.953 83 R CA 0.007 56.042 56.100 -0.107 0.000 1.088 83 R CB 0.355 30.546 30.300 -0.182 0.000 1.197 83 R HN 0.196 nan 8.270 nan 0.000 0.536 84 E N 1.123 121.220 120.200 -0.171 0.000 2.051 84 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 84 E C 1.783 178.308 176.600 -0.124 0.000 0.991 84 E CA 1.482 57.797 56.400 -0.142 0.000 0.799 84 E CB 0.022 29.689 29.700 -0.055 0.000 0.748 84 E HN 0.330 nan 8.360 nan 0.000 0.449 85 A N 0.571 123.316 122.820 -0.125 0.000 1.884 85 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 85 A C 2.475 179.953 177.584 -0.176 0.000 1.197 85 A CA 2.017 53.974 52.037 -0.133 0.000 0.637 85 A CB -1.083 17.827 19.000 -0.149 0.000 0.827 85 A HN 0.265 nan 8.150 nan 0.000 0.450 86 V N 0.068 119.826 119.914 -0.260 0.000 2.343 86 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 86 V C 2.534 178.393 176.094 -0.392 0.000 1.051 86 V CA 1.951 64.020 62.300 -0.385 0.000 1.036 86 V CB -0.659 30.797 31.823 -0.613 0.000 0.654 86 V HN 0.577 nan 8.190 nan 0.000 0.451 87 L N -0.650 120.343 121.223 -0.385 0.000 2.191 87 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 87 L C 2.780 179.580 176.870 -0.117 0.000 1.103 87 L CA 1.040 55.681 54.840 -0.333 0.000 0.769 87 L CB -0.563 41.300 42.059 -0.327 0.000 0.908 87 L HN 0.298 nan 8.230 nan 0.000 0.438 88 R N 0.116 120.565 120.500 -0.086 0.000 2.057 88 R HA -0.048 4.292 4.340 -0.000 0.000 0.224 88 R C 2.133 178.416 176.300 -0.028 0.000 1.136 88 R CA 1.022 57.104 56.100 -0.030 0.000 0.968 88 R CB -0.687 29.597 30.300 -0.027 0.000 0.863 88 R HN 0.466 nan 8.270 nan 0.000 0.433 89 Q N 0.396 120.165 119.800 -0.053 0.000 2.079 89 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 89 Q C 0.122 176.125 176.000 0.004 0.000 0.974 89 Q CA 1.269 57.054 55.803 -0.030 0.000 0.840 89 Q CB 0.022 28.730 28.738 -0.050 0.000 0.898 89 Q HN 0.145 nan 8.270 nan 0.000 0.430 90 D N -0.693 119.710 120.400 0.005 0.000 2.634 90 D HA 0.171 4.811 4.640 -0.000 0.000 0.318 90 D C -2.140 174.239 176.300 0.132 0.000 1.226 90 D CA -2.202 51.855 54.000 0.095 0.000 0.899 90 D CB 0.894 41.808 40.800 0.190 0.000 1.025 90 D HN -0.157 nan 8.370 nan 0.000 0.501 91 P HA -0.131 nan 4.420 nan 0.000 0.217 91 P C 0.694 178.164 177.300 0.283 0.000 1.148 91 P CA 1.022 64.230 63.100 0.180 0.000 0.828 91 P CB 0.303 32.074 31.700 0.119 0.000 0.783 92 E N -1.000 119.324 120.200 0.207 0.000 2.463 92 E HA 0.148 4.498 4.350 -0.000 0.000 0.193 92 E C 1.179 177.898 176.600 0.199 0.000 1.041 92 E CA -0.348 56.160 56.400 0.180 0.000 0.879 92 E CB 0.014 29.770 29.700 0.094 0.000 0.997 92 E HN 0.175 nan 8.360 nan 0.000 0.478 93 G N 0.061 109.031 108.800 0.284 0.000 2.563 93 G HA2 0.399 4.359 3.960 -0.000 0.000 0.283 93 G HA3 0.399 4.359 3.960 -0.000 0.000 0.283 93 G C -0.054 174.948 174.900 0.170 0.000 1.309 93 G CA -0.208 45.006 45.100 0.191 0.000 1.022 93 G HN 0.137 nan 8.290 nan 0.000 0.501 94 G N -1.199 107.504 108.800 -0.162 0.000 2.487 94 G HA2 0.591 4.551 3.960 -0.000 0.000 0.314 94 G HA3 0.591 4.551 3.960 -0.000 0.000 0.314 94 G C -1.621 172.964 174.900 -0.524 0.000 1.267 94 G CA -0.326 44.723 45.100 -0.084 0.000 0.937 94 G HN 0.397 nan 8.290 nan 0.000 0.481 95 Y N 0.269 120.573 120.300 0.008 0.000 2.534 95 Y HA 0.516 5.066 4.550 -0.000 0.000 0.345 95 Y C 0.297 176.071 175.900 -0.211 0.000 1.031 95 Y CA -1.128 56.897 58.100 -0.124 0.000 1.022 95 Y CB 2.412 40.753 38.460 -0.197 0.000 1.292 95 Y HN 0.602 nan 8.280 nan 0.000 0.459 96 R N 2.369 122.773 120.500 -0.160 0.000 2.308 96 R HA 0.413 4.753 4.340 -0.000 0.000 0.305 96 R C -0.359 175.784 176.300 -0.263 0.000 1.053 96 R CA -0.017 55.897 56.100 -0.310 0.000 0.957 96 R CB 0.413 30.299 30.300 -0.691 0.000 1.022 96 R HN 0.946 nan 8.270 nan 0.000 0.461 97 L N 3.500 124.606 121.223 -0.196 0.000 2.357 97 L HA 0.226 4.566 4.340 -0.000 0.000 0.211 97 L C -0.179 176.589 176.870 -0.169 0.000 1.075 97 L CA 0.170 54.905 54.840 -0.174 0.000 0.830 97 L CB 0.596 42.580 42.059 -0.126 0.000 0.996 97 L HN 0.356 nan 8.230 nan 0.000 0.467 98 V N -0.987 118.827 119.914 -0.165 0.000 2.569 98 V HA 0.210 4.330 4.120 -0.000 0.000 0.301 98 V C -1.140 174.901 176.094 -0.089 0.000 1.044 98 V CA -0.587 61.629 62.300 -0.140 0.000 0.874 98 V CB 1.644 33.355 31.823 -0.187 0.000 1.002 98 V HN 0.117 nan 8.190 nan 0.000 0.424 99 H N 4.285 123.244 119.070 -0.184 0.000 2.412 99 H HA 0.728 5.284 4.556 -0.000 0.000 0.239 99 H C 0.641 175.918 175.328 -0.084 0.000 1.388 99 H CA 0.338 56.297 56.048 -0.148 0.000 1.148 99 H CB 0.216 29.872 29.762 -0.176 0.000 1.637 99 H HN 1.059 nan 8.280 nan 0.000 0.542 100 A N 1.270 123.986 122.820 -0.173 0.000 5.476 100 A HA -0.405 3.915 4.320 -0.000 0.000 0.327 100 A C 2.149 179.641 177.584 -0.154 0.000 1.778 100 A CA 1.717 53.657 52.037 -0.161 0.000 0.721 100 A CB -1.126 17.775 19.000 -0.165 0.000 1.388 100 A HN 0.648 nan 8.150 nan 0.000 0.397 101 E N 0.096 120.183 120.200 -0.188 0.000 2.147 101 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 101 E C 2.049 178.506 176.600 -0.239 0.000 1.005 101 E CA 1.881 58.130 56.400 -0.253 0.000 0.810 101 E CB -1.243 28.126 29.700 -0.553 0.000 0.736 101 E HN 1.208 nan 8.360 nan 0.000 0.460 102 G N 1.657 110.314 108.800 -0.239 0.000 2.450 102 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 102 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 102 G C 1.022 175.893 174.900 -0.049 0.000 1.130 102 G CA 0.919 45.955 45.100 -0.106 0.000 0.760 102 G HN 0.170 nan 8.290 nan 0.000 0.557 103 D N 0.116 120.484 120.400 -0.054 0.000 2.424 103 D HA 0.222 4.862 4.640 -0.000 0.000 0.220 103 D C 1.037 177.325 176.300 -0.020 0.000 1.150 103 D CA -0.292 53.691 54.000 -0.029 0.000 0.831 103 D CB 0.277 41.055 40.800 -0.036 0.000 0.981 103 D HN 0.218 nan 8.370 nan 0.000 0.500 104 L N 0.346 121.553 121.223 -0.028 0.000 3.717 104 L HA -0.237 4.102 4.340 -0.000 0.000 0.414 104 L C -0.294 176.602 176.870 0.045 0.000 1.228 104 L CA 0.359 55.203 54.840 0.007 0.000 0.918 104 L CB -1.399 40.673 42.059 0.021 0.000 1.865 104 L HN 0.188 nan 8.230 nan 0.000 0.922 105 L N -0.211 121.038 121.223 0.044 0.000 2.678 105 L HA 0.388 4.728 4.340 -0.000 0.000 0.250 105 L C -2.101 174.875 176.870 0.177 0.000 1.455 105 L CA -1.460 53.462 54.840 0.137 0.000 0.823 105 L CB 1.005 43.100 42.059 0.060 0.000 1.107 105 L HN -0.133 nan 8.230 nan 0.000 0.514 106 P HA 0.036 nan 4.420 nan 0.000 0.266 106 P C 1.031 178.534 177.300 0.338 0.000 1.193 106 P CA 0.882 64.117 63.100 0.225 0.000 0.770 106 P CB 0.713 32.563 31.700 0.251 0.000 0.836 107 G N 0.784 109.704 108.800 0.200 0.000 2.166 107 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 107 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 107 G C -0.354 174.524 174.900 -0.036 0.000 0.986 107 G CA 0.166 45.374 45.100 0.181 0.000 0.683 107 G HN 0.586 nan 8.290 nan 0.000 0.527 108 L N 0.234 121.315 121.223 -0.237 0.000 2.409 108 L HA 0.827 5.167 4.340 -0.000 0.000 0.272 108 L C -0.611 176.047 176.870 -0.354 0.000 0.980 108 L CA -1.179 53.299 54.840 -0.604 0.000 0.826 108 L CB 2.394 43.629 42.059 -1.373 0.000 1.268 108 L HN 0.101 nan 8.230 nan 0.000 0.407 109 V N 5.321 125.063 119.914 -0.286 0.000 2.656 109 V HA 0.748 4.868 4.120 -0.000 0.000 0.307 109 V C -0.981 175.003 176.094 -0.184 0.000 1.051 109 V CA -0.601 61.593 62.300 -0.176 0.000 0.893 109 V CB 2.335 34.106 31.823 -0.088 0.000 0.999 109 V HN 0.511 nan 8.190 nan 0.000 0.426 110 V N 3.706 123.522 119.914 -0.163 0.000 2.612 110 V HA 0.525 4.645 4.120 -0.000 0.000 0.301 110 V C -1.141 174.864 176.094 -0.148 0.000 1.059 110 V CA -0.671 61.540 62.300 -0.148 0.000 0.886 110 V CB 2.087 33.816 31.823 -0.157 0.000 1.007 110 V HN 0.839 nan 8.190 nan 0.000 0.426 111 D N 2.253 122.554 120.400 -0.165 0.000 2.269 111 D HA 0.427 5.067 4.640 -0.000 0.000 0.244 111 D C -1.337 174.761 176.300 -0.337 0.000 0.992 111 D CA -0.232 53.587 54.000 -0.301 0.000 0.894 111 D CB 2.784 43.328 40.800 -0.426 0.000 1.248 111 D HN 0.521 nan 8.370 nan 0.000 0.468 112 Y N 1.709 121.704 120.300 -0.508 0.000 2.328 112 Y HA 0.333 4.883 4.550 -0.000 0.000 0.333 112 Y C -1.538 174.129 175.900 -0.388 0.000 0.958 112 Y CA -0.803 57.102 58.100 -0.324 0.000 1.167 112 Y CB 0.534 38.928 38.460 -0.109 0.000 1.151 112 Y HN 0.206 nan 8.280 nan 0.000 0.470 113 Y N 4.999 125.223 120.300 -0.127 0.000 2.712 113 Y HA 0.516 5.066 4.550 -0.000 0.000 0.328 113 Y C 0.631 176.387 175.900 -0.240 0.000 0.995 113 Y CA -0.957 57.094 58.100 -0.081 0.000 1.283 113 Y CB 1.056 39.486 38.460 -0.049 0.000 1.092 113 Y HN 0.880 nan 8.280 nan 0.000 0.519 114 A N 2.139 124.958 122.820 -0.002 0.000 2.511 114 A HA -0.007 4.313 4.320 -0.000 0.000 0.297 114 A C 1.699 179.083 177.584 -0.334 0.000 1.476 114 A CA 1.613 53.643 52.037 -0.012 0.000 0.757 114 A CB -1.758 17.261 19.000 0.032 0.000 1.072 114 A HN 1.911 nan 8.150 nan 0.000 0.413 115 G N -1.805 106.400 108.800 -0.992 0.000 2.213 115 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.226 115 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.226 115 G C -0.109 174.243 174.900 -0.913 0.000 0.992 115 G CA 0.398 45.007 45.100 -0.818 0.000 0.632 115 G HN 1.561 nan 8.290 nan 0.000 0.511 116 H N 0.760 119.586 119.070 -0.406 0.000 2.587 116 H HA 0.701 5.257 4.556 -0.000 0.000 0.325 116 H C 0.334 175.582 175.328 -0.134 0.000 1.012 116 H CA 0.165 56.105 56.048 -0.180 0.000 1.213 116 H CB 1.489 31.210 29.762 -0.068 0.000 1.431 116 H HN 0.564 nan 8.280 nan 0.000 0.492 117 A N 3.180 125.999 122.820 -0.001 0.000 2.304 117 A HA 0.550 4.870 4.320 -0.000 0.000 0.301 117 A C -0.219 177.403 177.584 0.063 0.000 1.132 117 A CA -0.572 51.466 52.037 0.002 0.000 0.819 117 A CB 0.836 19.836 19.000 -0.001 0.000 1.094 117 A HN 0.430 nan 8.150 nan 0.000 0.492 118 V N 3.072 123.017 119.914 0.050 0.000 2.407 118 V HA 0.320 4.440 4.120 -0.000 0.000 0.291 118 V C -0.324 175.765 176.094 -0.009 0.000 1.018 118 V CA -0.487 61.853 62.300 0.068 0.000 0.842 118 V CB 1.406 33.340 31.823 0.184 0.000 0.996 118 V HN 0.663 nan 8.190 nan 0.000 0.426 119 V N 5.547 125.442 119.914 -0.031 0.000 2.509 119 V HA 0.448 4.568 4.120 -0.000 0.000 0.284 119 V C -0.118 175.916 176.094 -0.101 0.000 1.047 119 V CA -0.377 61.872 62.300 -0.086 0.000 0.952 119 V CB 1.580 33.353 31.823 -0.083 0.000 0.988 119 V HN 0.930 nan 8.190 nan 0.000 0.469 120 Q N 3.357 123.072 119.800 -0.141 0.000 2.337 120 Q HA 0.654 4.994 4.340 -0.000 0.000 0.264 120 Q C -0.695 175.200 176.000 -0.175 0.000 1.007 120 Q CA -0.387 55.333 55.803 -0.137 0.000 0.727 120 Q CB 2.210 30.888 28.738 -0.100 0.000 1.256 120 Q HN 0.848 nan 8.270 nan 0.000 0.467 121 A N 1.495 124.222 122.820 -0.155 0.000 2.292 121 A HA 0.634 4.954 4.320 -0.000 0.000 0.319 121 A C 0.416 177.969 177.584 -0.051 0.000 1.206 121 A CA -0.463 51.501 52.037 -0.121 0.000 0.835 121 A CB 0.517 19.499 19.000 -0.029 0.000 1.164 121 A HN 0.671 nan 8.150 nan 0.000 0.505 122 T N -1.223 113.333 114.554 0.003 0.000 3.633 122 T HA 0.633 4.983 4.350 -0.000 0.000 0.278 122 T C -0.329 174.411 174.700 0.066 0.000 0.991 122 T CA 0.361 62.468 62.100 0.012 0.000 1.036 122 T CB -0.264 68.597 68.868 -0.011 0.000 1.148 122 T HN 1.886 nan 8.240 nan 0.000 0.501 123 A N 0.180 123.078 122.820 0.130 0.000 2.530 123 A HA 0.539 4.859 4.320 -0.000 0.000 0.297 123 A C 0.580 178.261 177.584 0.161 0.000 1.059 123 A CA -0.635 51.494 52.037 0.154 0.000 0.782 123 A CB 0.487 19.606 19.000 0.198 0.000 1.301 123 A HN 0.283 nan 8.150 nan 0.000 0.394 124 H N 1.886 121.001 119.070 0.075 0.000 2.266 124 H HA -0.349 4.207 4.556 -0.000 0.000 0.286 124 H C 2.572 177.916 175.328 0.027 0.000 1.102 124 H CA 3.219 59.304 56.048 0.063 0.000 1.182 124 H CB -0.043 29.753 29.762 0.057 0.000 1.345 124 H HN 0.962 nan 8.280 nan 0.000 0.485 125 A N 0.371 123.236 122.820 0.076 0.000 2.023 125 A HA -0.248 4.072 4.320 -0.000 0.000 0.223 125 A C 2.381 179.836 177.584 -0.215 0.000 1.180 125 A CA 2.127 54.080 52.037 -0.140 0.000 0.659 125 A CB -1.358 17.453 19.000 -0.315 0.000 0.817 125 A HN 0.615 nan 8.150 nan 0.000 0.466 126 W N -1.295 120.006 121.300 0.002 0.000 2.494 126 W HA 0.088 4.748 4.660 -0.000 0.000 0.286 126 W C 2.172 178.687 176.519 -0.007 0.000 1.218 126 W CA 0.497 57.832 57.345 -0.018 0.000 1.313 126 W CB -0.101 29.339 29.460 -0.032 0.000 1.105 126 W HN 0.347 nan 8.180 nan 0.000 0.561 127 E N 0.224 120.548 120.200 0.206 0.000 2.164 127 E HA -0.222 4.128 4.350 -0.000 0.000 0.206 127 E C 2.247 178.922 176.600 0.124 0.000 1.032 127 E CA 2.096 58.576 56.400 0.133 0.000 0.832 127 E CB -0.791 28.931 29.700 0.037 0.000 0.742 127 E HN 0.192 nan 8.360 nan 0.000 0.460 128 G N -1.237 107.624 108.800 0.101 0.000 2.838 128 G HA2 0.000 3.960 3.960 -0.000 0.000 0.210 128 G HA3 0.000 3.960 3.960 -0.000 0.000 0.210 128 G C 1.194 176.144 174.900 0.083 0.000 1.153 128 G CA -0.014 45.132 45.100 0.078 0.000 0.778 128 G HN 0.251 nan 8.290 nan 0.000 0.539 129 L N 0.599 121.894 121.223 0.121 0.000 2.591 129 L HA 0.268 4.608 4.340 -0.000 0.000 0.228 129 L C 2.349 179.335 176.870 0.192 0.000 1.133 129 L CA -0.216 54.713 54.840 0.147 0.000 0.880 129 L CB -0.075 42.080 42.059 0.160 0.000 1.033 129 L HN 0.159 nan 8.230 nan 0.000 0.450 130 L N 0.458 121.785 121.223 0.173 0.000 1.990 130 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 130 L C -0.080 176.845 176.870 0.092 0.000 1.072 130 L CA 1.833 56.750 54.840 0.128 0.000 0.755 130 L CB -1.971 40.159 42.059 0.117 0.000 0.889 130 L HN 0.248 nan 8.230 nan 0.000 0.432 131 P HA -0.207 nan 4.420 nan 0.000 0.216 131 P C 1.471 178.806 177.300 0.058 0.000 1.153 131 P CA 1.345 64.479 63.100 0.057 0.000 0.858 131 P CB 0.057 31.785 31.700 0.047 0.000 0.789 132 Q N -1.010 118.834 119.800 0.073 0.000 2.079 132 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 132 Q C 2.144 178.190 176.000 0.077 0.000 0.974 132 Q CA 1.193 57.039 55.803 0.072 0.000 0.840 132 Q CB -1.344 27.442 28.738 0.080 0.000 0.898 132 Q HN 0.061 nan 8.270 nan 0.000 0.430 133 V N 0.924 120.895 119.914 0.095 0.000 2.252 133 V HA -0.348 3.772 4.120 -0.000 0.000 0.249 133 V C 2.198 178.312 176.094 0.034 0.000 1.056 133 V CA 1.929 64.264 62.300 0.057 0.000 1.022 133 V CB -1.312 30.517 31.823 0.010 0.000 0.641 133 V HN 0.462 nan 8.190 nan 0.000 0.445 134 A N -0.302 122.540 122.820 0.037 0.000 1.873 134 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 134 A C 2.187 179.795 177.584 0.040 0.000 1.193 134 A CA 1.992 54.050 52.037 0.035 0.000 0.629 134 A CB -0.586 18.437 19.000 0.037 0.000 0.826 134 A HN 0.540 nan 8.150 nan 0.000 0.447 135 E N -0.176 120.048 120.200 0.041 0.000 2.118 135 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 135 E C 2.215 178.842 176.600 0.045 0.000 0.992 135 E CA 1.359 57.782 56.400 0.038 0.000 0.804 135 E CB -0.641 29.079 29.700 0.035 0.000 0.741 135 E HN 0.616 nan 8.360 nan 0.000 0.458 136 A N 0.452 123.303 122.820 0.052 0.000 2.119 136 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 136 A C 2.274 179.914 177.584 0.093 0.000 1.153 136 A CA 0.592 52.667 52.037 0.063 0.000 0.692 136 A CB -0.317 18.715 19.000 0.052 0.000 0.799 136 A HN 0.140 nan 8.150 nan 0.000 0.458 137 L N -1.624 119.647 121.223 0.081 0.000 2.084 137 L HA -0.051 4.289 4.340 -0.000 0.000 0.202 137 L C 2.517 179.468 176.870 0.135 0.000 1.074 137 L CA 1.131 56.038 54.840 0.111 0.000 0.757 137 L CB -0.541 41.557 42.059 0.065 0.000 0.918 137 L HN 0.465 nan 8.230 nan 0.000 0.444 138 R N 0.809 121.351 120.500 0.071 0.000 2.301 138 R HA -0.263 4.077 4.340 -0.000 0.000 0.250 138 R C -0.778 175.520 176.300 -0.004 0.000 1.102 138 R CA 2.788 58.908 56.100 0.034 0.000 0.933 138 R CB -1.694 28.617 30.300 0.019 0.000 0.955 138 R HN 0.216 nan 8.270 nan 0.000 0.439 139 P HA -0.114 nan 4.420 nan 0.000 0.229 139 P C 0.053 177.090 177.300 -0.438 0.000 1.150 139 P CA 1.319 64.277 63.100 -0.236 0.000 0.765 139 P CB 0.001 31.528 31.700 -0.289 0.000 0.783 140 H N -2.888 116.201 119.070 0.032 0.000 3.255 140 H HA 0.224 4.780 4.556 -0.000 0.000 0.256 140 H C 0.890 176.282 175.328 0.107 0.000 1.049 140 H CA 0.245 56.336 56.048 0.071 0.000 1.202 140 H CB 0.875 30.682 29.762 0.075 0.000 1.497 140 H HN 0.014 nan 8.280 nan 0.000 0.503 141 V N -1.023 118.964 119.914 0.121 0.000 3.155 141 V HA 0.353 4.473 4.120 -0.000 0.000 0.313 141 V C 0.446 176.506 176.094 -0.057 0.000 1.162 141 V CA -0.806 61.492 62.300 -0.004 0.000 1.048 141 V CB 2.866 34.677 31.823 -0.019 0.000 1.092 141 V HN -0.011 nan 8.190 nan 0.000 0.447 142 Q N 0.925 120.633 119.800 -0.154 0.000 2.319 142 Q HA 0.376 4.716 4.340 -0.000 0.000 0.209 142 Q C 0.167 176.190 176.000 0.039 0.000 0.884 142 Q CA 0.710 56.463 55.803 -0.084 0.000 0.938 142 Q CB 0.994 29.634 28.738 -0.164 0.000 1.098 142 Q HN 1.052 nan 8.270 nan 0.000 0.517 143 S N -1.639 114.099 115.700 0.064 0.000 2.633 143 S HA 0.448 4.918 4.470 -0.000 0.000 0.271 143 S C -1.134 173.527 174.600 0.101 0.000 1.112 143 S CA -0.943 57.332 58.200 0.125 0.000 0.828 143 S CB 1.424 64.751 63.200 0.211 0.000 1.086 143 S HN -0.093 nan 8.310 nan 0.000 0.461 144 V N 1.485 121.443 119.914 0.074 0.000 2.709 144 V HA 0.766 4.885 4.120 -0.000 0.000 0.308 144 V C -1.215 174.910 176.094 0.052 0.000 1.062 144 V CA -0.633 61.700 62.300 0.056 0.000 0.901 144 V CB 1.594 33.440 31.823 0.039 0.000 1.003 144 V HN 0.966 nan 8.190 nan 0.000 0.425 145 L N 4.289 125.541 121.223 0.049 0.000 2.341 145 L HA 0.897 5.237 4.340 -0.000 0.000 0.278 145 L C 0.203 177.094 176.870 0.035 0.000 1.005 145 L CA -0.366 54.500 54.840 0.042 0.000 0.818 145 L CB 1.618 43.699 42.059 0.036 0.000 1.259 145 L HN 0.749 nan 8.230 nan 0.000 0.418 146 A N 4.757 127.608 122.820 0.053 0.000 2.774 146 A HA 0.296 4.616 4.320 -0.000 0.000 0.326 146 A C 0.361 177.932 177.584 -0.022 0.000 1.478 146 A CA -0.457 51.603 52.037 0.038 0.000 1.099 146 A CB -0.427 18.662 19.000 0.148 0.000 1.148 146 A HN 0.731 nan 8.150 nan 0.000 0.519 147 K N 2.555 122.920 120.400 -0.059 0.000 3.192 147 K HA 0.058 4.378 4.320 -0.000 0.000 0.269 147 K C -0.375 176.119 176.600 -0.177 0.000 1.270 147 K CA -0.228 56.006 56.287 -0.088 0.000 1.249 147 K CB -0.310 32.163 32.500 -0.045 0.000 1.528 147 K HN 0.601 nan 8.250 nan 0.000 0.360 148 N N 3.180 121.671 118.700 -0.347 0.000 3.103 148 N HA -0.046 4.694 4.740 -0.000 0.000 0.305 148 N C -0.732 174.528 175.510 -0.416 0.000 1.232 148 N CA 0.368 53.133 53.050 -0.475 0.000 1.190 148 N CB 0.451 38.426 38.487 -0.854 0.000 1.461 148 N HN 0.502 nan 8.380 nan 0.000 0.538 149 D N -1.338 118.931 120.400 -0.220 0.000 2.819 149 D HA 0.116 4.756 4.640 -0.000 0.000 0.326 149 D C -0.336 175.913 176.300 -0.085 0.000 1.408 149 D CA -0.496 53.422 54.000 -0.137 0.000 0.811 149 D CB -0.159 40.586 40.800 -0.091 0.000 1.148 149 D HN 0.066 nan 8.370 nan 0.000 0.457 150 A N 0.689 123.456 122.820 -0.088 0.000 2.301 150 A HA 0.399 4.719 4.320 -0.000 0.000 0.312 150 A C 1.306 178.866 177.584 -0.040 0.000 1.182 150 A CA -0.648 51.357 52.037 -0.053 0.000 0.826 150 A CB 0.981 19.950 19.000 -0.052 0.000 1.134 150 A HN 0.086 nan 8.150 nan 0.000 0.501 151 R N 0.837 121.324 120.500 -0.021 0.000 2.139 151 R HA -0.166 4.174 4.340 -0.000 0.000 0.243 151 R C 2.124 178.416 176.300 -0.013 0.000 1.145 151 R CA 2.030 58.123 56.100 -0.012 0.000 0.976 151 R CB -0.638 29.663 30.300 0.000 0.000 0.866 151 R HN 0.979 nan 8.270 nan 0.000 0.449 152 T N -1.165 113.379 114.554 -0.015 0.000 2.848 152 T HA -0.194 4.156 4.350 -0.000 0.000 0.269 152 T C 1.744 176.432 174.700 -0.019 0.000 1.081 152 T CA 1.235 63.325 62.100 -0.017 0.000 1.125 152 T CB -0.231 68.625 68.868 -0.019 0.000 0.848 152 T HN 0.327 nan 8.240 nan 0.000 0.503 153 R N 0.832 121.315 120.500 -0.028 0.000 2.153 153 R HA 0.097 4.437 4.340 -0.000 0.000 0.218 153 R C 2.683 178.974 176.300 -0.015 0.000 1.072 153 R CA 1.160 57.242 56.100 -0.031 0.000 0.990 153 R CB -0.161 30.104 30.300 -0.059 0.000 0.889 153 R HN 0.579 nan 8.270 nan 0.000 0.452 154 E N 0.736 120.929 120.200 -0.012 0.000 2.110 154 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 154 E C 1.829 178.430 176.600 0.002 0.000 0.988 154 E CA 0.975 57.373 56.400 -0.003 0.000 0.804 154 E CB 0.012 29.710 29.700 -0.003 0.000 0.745 154 E HN 0.299 nan 8.360 nan 0.000 0.458 155 L N 0.794 122.018 121.223 0.001 0.000 2.156 155 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 155 L C 1.954 178.837 176.870 0.021 0.000 1.095 155 L CA 0.665 55.507 54.840 0.004 0.000 0.770 155 L CB -0.090 41.967 42.059 -0.004 0.000 0.914 155 L HN 0.020 nan 8.230 nan 0.000 0.439 156 E N 0.654 120.874 120.200 0.033 0.000 2.502 156 E HA 0.043 4.393 4.350 -0.000 0.000 0.194 156 E C 0.901 177.589 176.600 0.147 0.000 1.062 156 E CA 0.599 57.054 56.400 0.092 0.000 0.867 156 E CB 0.025 29.771 29.700 0.076 0.000 0.888 156 E HN 0.418 nan 8.360 nan 0.000 0.510 157 G N 1.788 110.630 108.800 0.069 0.000 2.381 157 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.281 157 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.281 157 G C -0.230 174.707 174.900 0.061 0.000 0.984 157 G CA 0.303 45.444 45.100 0.067 0.000 1.339 157 G HN 0.165 nan 8.290 nan 0.000 0.485 158 L N 1.011 122.231 121.223 -0.004 0.000 2.424 158 L HA 0.525 4.865 4.340 -0.000 0.000 0.258 158 L C -2.268 174.605 176.870 0.006 0.000 0.995 158 L CA -2.538 52.272 54.840 -0.050 0.000 0.821 158 L CB 2.620 44.611 42.059 -0.113 0.000 1.383 158 L HN 0.023 nan 8.230 nan 0.000 0.410 159 P HA 0.190 nan 4.420 nan 0.000 0.271 159 P C -1.025 176.358 177.300 0.137 0.000 1.226 159 P CA 0.026 63.210 63.100 0.141 0.000 0.765 159 P CB 0.355 32.192 31.700 0.228 0.000 0.835 160 L N 5.855 127.129 121.223 0.086 0.000 2.260 160 L HA 0.449 4.789 4.340 -0.000 0.000 0.289 160 L C 0.007 176.929 176.870 0.088 0.000 1.057 160 L CA -0.445 54.389 54.840 -0.011 0.000 0.811 160 L CB -0.158 41.894 42.059 -0.013 0.000 1.184 160 L HN 0.528 nan 8.230 nan 0.000 0.429 161 Y N 1.780 122.074 120.300 -0.009 0.000 2.853 161 Y HA 0.783 5.333 4.550 -0.000 0.000 0.326 161 Y C -1.281 174.614 175.900 -0.009 0.000 1.384 161 Y CA -1.397 56.699 58.100 -0.008 0.000 1.077 161 Y CB 1.512 39.968 38.460 -0.007 0.000 1.395 161 Y HN -0.015 nan 8.280 nan 0.000 0.451 162 V N 2.283 122.360 119.914 0.272 0.000 2.610 162 V HA 0.616 4.736 4.120 -0.000 0.000 0.288 162 V C -1.022 175.185 176.094 0.189 0.000 1.055 162 V CA -0.698 61.691 62.300 0.148 0.000 0.902 162 V CB 1.259 33.108 31.823 0.044 0.000 1.030 162 V HN 0.934 nan 8.190 nan 0.000 0.448 163 R N 3.507 124.140 120.500 0.222 0.000 2.710 163 R HA 0.774 5.114 4.340 -0.000 0.000 0.270 163 R C -3.367 172.991 176.300 0.097 0.000 1.021 163 R CA -2.045 54.131 56.100 0.126 0.000 0.889 163 R CB 1.882 32.233 30.300 0.086 0.000 1.243 163 R HN 0.289 nan 8.270 nan 0.000 0.464 164 P HA 0.134 nan 4.420 nan 0.000 0.272 164 P C -0.145 177.183 177.300 0.047 0.000 1.223 164 P CA -0.363 62.762 63.100 0.042 0.000 0.784 164 P CB 0.651 32.364 31.700 0.022 0.000 0.923 165 L N 0.583 121.834 121.223 0.046 0.000 2.685 165 L HA 0.360 4.700 4.340 -0.000 0.000 0.235 165 L C 0.086 176.977 176.870 0.035 0.000 1.070 165 L CA 0.167 55.034 54.840 0.045 0.000 0.888 165 L CB 0.258 42.348 42.059 0.051 0.000 1.203 165 L HN 0.267 nan 8.230 nan 0.000 0.499 166 L N -0.236 121.008 121.223 0.036 0.000 2.545 166 L HA 0.731 5.071 4.340 -0.000 0.000 0.258 166 L C -0.136 176.757 176.870 0.038 0.000 0.942 166 L CA 0.380 55.240 54.840 0.033 0.000 0.855 166 L CB 1.412 43.492 42.059 0.034 0.000 1.374 166 L HN 0.181 nan 8.230 nan 0.000 0.411 167 G N 2.980 111.799 108.800 0.032 0.000 2.697 167 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.240 167 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.240 167 G C -0.803 174.117 174.900 0.033 0.000 1.346 167 G CA 0.019 45.141 45.100 0.038 0.000 0.887 167 G HN 0.838 nan 8.290 nan 0.000 0.569 168 E N 0.075 120.298 120.200 0.038 0.000 2.046 168 E HA 0.412 4.762 4.350 -0.000 0.000 0.279 168 E C 0.139 176.727 176.600 -0.019 0.000 0.989 168 E CA -0.494 55.912 56.400 0.011 0.000 0.798 168 E CB 1.514 31.219 29.700 0.009 0.000 1.086 168 E HN 0.500 nan 8.360 nan 0.000 0.399 169 V N 5.718 125.604 119.914 -0.045 0.000 2.405 169 V HA 0.119 4.239 4.120 -0.000 0.000 0.264 169 V C -1.762 174.223 176.094 -0.180 0.000 1.048 169 V CA -1.349 60.885 62.300 -0.111 0.000 0.966 169 V CB 0.106 31.895 31.823 -0.055 0.000 1.015 169 V HN 0.462 nan 8.190 nan 0.000 0.477 170 P HA 0.072 nan 4.420 nan 0.000 0.271 170 P C 0.864 178.054 177.300 -0.183 0.000 1.238 170 P CA -0.193 62.738 63.100 -0.281 0.000 0.794 170 P CB 0.967 32.405 31.700 -0.437 0.000 0.959 171 E N 0.235 120.357 120.200 -0.131 0.000 2.140 171 E HA -0.010 4.340 4.350 -0.000 0.000 0.191 171 E C 0.102 176.640 176.600 -0.105 0.000 0.973 171 E CA 0.656 56.999 56.400 -0.095 0.000 0.829 171 E CB 0.318 29.978 29.700 -0.067 0.000 0.781 171 E HN 0.271 nan 8.360 nan 0.000 0.466 172 R N -0.731 119.700 120.500 -0.115 0.000 2.739 172 R HA 0.519 4.859 4.340 -0.000 0.000 0.271 172 R C -1.733 174.494 176.300 -0.121 0.000 1.010 172 R CA -0.814 55.217 56.100 -0.114 0.000 0.897 172 R CB 2.676 32.929 30.300 -0.079 0.000 1.236 172 R HN -0.111 nan 8.270 nan 0.000 0.466 173 V N 1.196 121.034 119.914 -0.126 0.000 2.971 173 V HA 0.348 4.468 4.120 -0.000 0.000 0.309 173 V C -0.865 175.158 176.094 -0.118 0.000 1.130 173 V CA -1.004 61.240 62.300 -0.092 0.000 0.964 173 V CB 2.228 34.028 31.823 -0.039 0.000 1.029 173 V HN 0.638 nan 8.190 nan 0.000 0.427 174 Q N 1.652 121.396 119.800 -0.093 0.000 2.303 174 Q HA 0.624 4.963 4.340 -0.000 0.000 0.257 174 Q C -1.173 174.718 176.000 -0.181 0.000 0.941 174 Q CA -0.410 55.309 55.803 -0.140 0.000 0.931 174 Q CB 2.148 30.840 28.738 -0.077 0.000 1.215 174 Q HN 0.602 nan 8.270 nan 0.000 0.437 175 V N 3.054 122.733 119.914 -0.390 0.000 2.435 175 V HA 0.189 4.309 4.120 -0.000 0.000 0.290 175 V C -0.265 175.654 176.094 -0.292 0.000 1.030 175 V CA -0.770 61.292 62.300 -0.398 0.000 0.881 175 V CB 1.653 33.042 31.823 -0.723 0.000 0.983 175 V HN 0.664 nan 8.190 nan 0.000 0.445 176 Q N 3.462 123.219 119.800 -0.072 0.000 2.256 176 Q HA 0.400 4.740 4.340 -0.000 0.000 0.254 176 Q C -0.464 175.592 176.000 0.094 0.000 0.916 176 Q CA 0.113 55.929 55.803 0.023 0.000 0.932 176 Q CB 1.124 29.891 28.738 0.047 0.000 1.207 176 Q HN 0.823 nan 8.270 nan 0.000 0.426 177 E N 3.687 123.987 120.200 0.165 0.000 2.460 177 E HA 0.481 4.831 4.350 -0.000 0.000 0.249 177 E C -0.011 176.730 176.600 0.236 0.000 0.962 177 E CA 0.102 56.634 56.400 0.220 0.000 0.787 177 E CB -0.110 29.810 29.700 0.366 0.000 1.341 177 E HN 0.894 nan 8.360 nan 0.000 0.407 178 G N 4.309 113.210 108.800 0.168 0.000 2.561 178 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.289 178 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.289 178 G C 0.505 175.472 174.900 0.111 0.000 1.169 178 G CA 0.308 45.501 45.100 0.154 0.000 0.980 178 G HN 0.578 nan 8.290 nan 0.000 0.550 179 R N 0.341 120.898 120.500 0.095 0.000 2.388 179 R HA 0.480 4.820 4.340 -0.000 0.000 0.247 179 R C 0.509 176.807 176.300 -0.002 0.000 0.931 179 R CA 0.700 56.826 56.100 0.043 0.000 1.082 179 R CB 0.416 30.740 30.300 0.040 0.000 1.135 179 R HN 0.945 nan 8.270 nan 0.000 0.525 180 V N -3.142 116.762 119.914 -0.016 0.000 3.078 180 V HA 0.624 4.744 4.120 -0.000 0.000 0.311 180 V C -0.721 175.402 176.094 0.047 0.000 1.138 180 V CA -1.373 60.897 62.300 -0.051 0.000 1.007 180 V CB 2.559 34.230 31.823 -0.254 0.000 1.045 180 V HN -0.013 nan 8.190 nan 0.000 0.432 181 R N 1.460 121.994 120.500 0.056 0.000 2.803 181 R HA 0.807 5.147 4.340 -0.000 0.000 0.276 181 R C -1.597 174.788 176.300 0.141 0.000 0.978 181 R CA -0.576 55.561 56.100 0.063 0.000 0.939 181 R CB 2.285 32.586 30.300 0.003 0.000 1.179 181 R HN 0.965 nan 8.270 nan 0.000 0.472 182 Y N -1.149 119.160 120.300 0.015 0.000 2.615 182 Y HA 0.602 5.152 4.550 -0.000 0.000 0.341 182 Y C -1.451 174.453 175.900 0.005 0.000 1.089 182 Y CA -1.452 56.656 58.100 0.014 0.000 1.049 182 Y CB 1.201 39.678 38.460 0.028 0.000 1.296 182 Y HN 0.298 nan 8.280 nan 0.000 0.470 183 L N 2.754 124.046 121.223 0.115 0.000 2.289 183 L HA 0.619 4.959 4.340 -0.000 0.000 0.285 183 L C -0.859 176.025 176.870 0.023 0.000 1.049 183 L CA -1.097 53.744 54.840 0.003 0.000 0.804 183 L CB 1.616 43.687 42.059 0.019 0.000 1.195 183 L HN 0.568 nan 8.230 nan 0.000 0.428 184 V N 2.274 122.117 119.914 -0.118 0.000 2.357 184 V HA 0.198 4.317 4.120 -0.000 0.000 0.284 184 V C -0.393 175.577 176.094 -0.208 0.000 1.018 184 V CA -0.593 61.583 62.300 -0.208 0.000 0.841 184 V CB 1.650 33.196 31.823 -0.462 0.000 0.991 184 V HN 0.591 nan 8.190 nan 0.000 0.437 185 D N 4.550 124.851 120.400 -0.164 0.000 2.380 185 D HA 0.293 4.933 4.640 -0.000 0.000 0.230 185 D C 0.818 177.027 176.300 -0.152 0.000 1.154 185 D CA -0.055 53.869 54.000 -0.128 0.000 0.859 185 D CB 1.299 42.056 40.800 -0.072 0.000 1.045 185 D HN 0.408 nan 8.370 nan 0.000 0.495 186 L N 3.576 124.710 121.223 -0.148 0.000 2.162 186 L HA 0.058 4.398 4.340 -0.000 0.000 0.205 186 L C 1.272 178.096 176.870 -0.077 0.000 1.086 186 L CA 0.150 54.917 54.840 -0.123 0.000 0.778 186 L CB -0.377 41.608 42.059 -0.124 0.000 0.928 186 L HN 0.328 nan 8.230 nan 0.000 0.446 187 R N 2.074 122.533 120.500 -0.069 0.000 2.504 187 R HA 0.263 4.603 4.340 -0.000 0.000 0.291 187 R C 0.356 176.636 176.300 -0.033 0.000 0.974 187 R CA 0.069 56.142 56.100 -0.045 0.000 1.077 187 R CB -0.061 30.215 30.300 -0.040 0.000 0.926 187 R HN 0.066 nan 8.270 nan 0.000 0.407 188 A N 3.182 125.990 122.820 -0.020 0.000 2.645 188 A HA 0.229 4.549 4.320 -0.000 0.000 0.233 188 A C 1.745 179.322 177.584 -0.012 0.000 1.100 188 A CA 0.793 52.822 52.037 -0.013 0.000 0.793 188 A CB -0.863 18.139 19.000 0.002 0.000 1.028 188 A HN 1.463 nan 8.150 nan 0.000 0.516 189 G N -1.131 107.664 108.800 -0.009 0.000 2.228 189 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.270 189 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.270 189 G C 0.316 175.213 174.900 -0.005 0.000 0.976 189 G CA 1.283 46.380 45.100 -0.004 0.000 0.636 189 G HN 1.149 nan 8.290 nan 0.000 0.542 190 Q N -0.086 119.707 119.800 -0.013 0.000 2.377 190 Q HA 0.550 4.890 4.340 -0.000 0.000 0.271 190 Q C -0.132 175.856 176.000 -0.019 0.000 1.077 190 Q CA -0.972 54.824 55.803 -0.011 0.000 0.820 190 Q CB 1.034 29.764 28.738 -0.013 0.000 1.347 190 Q HN 0.356 nan 8.270 nan 0.000 0.444 191 K N 1.575 121.973 120.400 -0.004 0.000 2.447 191 K HA 0.085 4.405 4.320 -0.000 0.000 0.281 191 K C -0.598 175.974 176.600 -0.047 0.000 1.031 191 K CA 0.260 56.541 56.287 -0.011 0.000 1.019 191 K CB 0.157 32.681 32.500 0.040 0.000 0.918 191 K HN 0.451 nan 8.250 nan 0.000 0.476 192 T N 2.590 117.084 114.554 -0.100 0.000 2.743 192 T HA 0.055 4.405 4.350 -0.000 0.000 0.290 192 T C 1.320 175.920 174.700 -0.167 0.000 0.908 192 T CA -0.333 61.672 62.100 -0.158 0.000 1.092 192 T CB 0.597 69.358 68.868 -0.178 0.000 0.882 192 T HN 0.741 nan 8.240 nan 0.000 0.531 193 G N 2.521 111.278 108.800 -0.071 0.000 3.229 193 G HA2 0.342 4.302 3.960 -0.000 0.000 0.214 193 G HA3 0.342 4.302 3.960 -0.000 0.000 0.214 193 G C 0.372 175.311 174.900 0.065 0.000 1.256 193 G CA -0.264 44.859 45.100 0.039 0.000 1.042 193 G HN 0.860 nan 8.290 nan 0.000 0.497 194 A N 0.187 122.970 122.820 -0.061 0.000 2.319 194 A HA 0.672 4.992 4.320 -0.000 0.000 0.310 194 A C -1.365 176.139 177.584 -0.133 0.000 1.152 194 A CA -0.734 51.338 52.037 0.058 0.000 0.783 194 A CB 0.950 20.174 19.000 0.374 0.000 1.184 194 A HN 0.231 nan 8.150 nan 0.000 0.474 195 Y N 3.912 124.138 120.300 -0.124 0.000 2.944 195 Y HA 0.263 4.813 4.550 -0.000 0.000 0.335 195 Y C 1.112 176.915 175.900 -0.162 0.000 1.075 195 Y CA -0.507 57.504 58.100 -0.149 0.000 1.240 195 Y CB 0.630 38.919 38.460 -0.283 0.000 1.167 195 Y HN 0.695 nan 8.280 nan 0.000 0.555 196 L N 0.450 121.694 121.223 0.035 0.000 2.127 196 L HA -0.246 4.094 4.340 -0.000 0.000 0.211 196 L C 1.622 178.393 176.870 -0.164 0.000 1.089 196 L CA 1.561 56.401 54.840 0.001 0.000 0.757 196 L CB -0.210 41.913 42.059 0.108 0.000 0.899 196 L HN 0.568 nan 8.230 nan 0.000 0.434 197 D N -1.475 118.709 120.400 -0.361 0.000 2.350 197 D HA -0.191 4.449 4.640 -0.000 0.000 0.216 197 D C 1.779 177.829 176.300 -0.418 0.000 0.968 197 D CA 0.708 54.229 54.000 -0.798 0.000 0.894 197 D CB -0.215 40.121 40.800 -0.773 0.000 0.909 197 D HN 0.278 nan 8.370 nan 0.000 0.520 198 Q N -0.252 119.376 119.800 -0.287 0.000 2.282 198 Q HA 0.126 4.466 4.340 -0.000 0.000 0.206 198 Q C 1.784 177.541 176.000 -0.405 0.000 0.878 198 Q CA -0.120 55.497 55.803 -0.311 0.000 0.944 198 Q CB 0.515 29.099 28.738 -0.258 0.000 1.100 198 Q HN 0.473 nan 8.270 nan 0.000 0.509 199 R N 1.323 121.630 120.500 -0.322 0.000 2.094 199 R HA -0.220 4.120 4.340 -0.000 0.000 0.239 199 R C 1.456 177.583 176.300 -0.287 0.000 1.137 199 R CA 1.874 57.796 56.100 -0.296 0.000 0.943 199 R CB 0.144 30.324 30.300 -0.200 0.000 0.850 199 R HN -0.030 nan 8.270 nan 0.000 0.433 200 E N 0.278 120.346 120.200 -0.220 0.000 2.110 200 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 200 E C 1.668 178.130 176.600 -0.231 0.000 0.988 200 E CA 1.424 57.730 56.400 -0.157 0.000 0.804 200 E CB -0.042 29.602 29.700 -0.093 0.000 0.745 200 E HN 0.433 nan 8.360 nan 0.000 0.458 201 N N 0.063 118.518 118.700 -0.408 0.000 2.216 201 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 201 N C 1.670 177.001 175.510 -0.298 0.000 1.017 201 N CA 0.722 53.402 53.050 -0.617 0.000 0.861 201 N CB -0.125 37.536 38.487 -1.376 0.000 0.986 201 N HN 0.142 nan 8.380 nan 0.000 0.428 202 R N 0.831 121.034 120.500 -0.494 0.000 2.073 202 R HA 0.012 4.352 4.340 -0.000 0.000 0.234 202 R C 2.344 178.369 176.300 -0.458 0.000 1.134 202 R CA 0.797 56.524 56.100 -0.623 0.000 0.952 202 R CB -0.530 29.122 30.300 -1.080 0.000 0.850 202 R HN 0.165 nan 8.270 nan 0.000 0.433 203 L N -0.207 120.749 121.223 -0.444 0.000 2.079 203 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 203 L C 1.583 178.475 176.870 0.036 0.000 1.081 203 L CA 0.938 55.669 54.840 -0.183 0.000 0.752 203 L CB -0.524 41.487 42.059 -0.080 0.000 0.896 203 L HN 0.174 nan 8.230 nan 0.000 0.433 207 R N 0.752 121.160 120.500 -0.154 0.000 2.313 207 R HA 0.142 4.482 4.340 -0.000 0.000 0.199 207 R C -0.395 175.586 176.300 -0.533 0.000 0.958 207 R CA 0.387 56.225 56.100 -0.435 0.000 1.047 207 R CB 0.177 30.005 30.300 -0.786 0.000 0.955 207 R HN -0.164 nan 8.270 nan 0.000 0.481 208 F N 0.042 120.018 119.950 0.043 0.000 2.492 208 F HA 0.512 5.039 4.527 -0.000 0.000 0.327 208 F C 0.172 175.914 175.800 -0.097 0.000 1.079 208 F CA -0.886 57.154 58.000 0.067 0.000 0.967 208 F CB 1.615 40.782 39.000 0.279 0.000 1.169 208 F HN -0.283 nan 8.300 nan 0.000 0.472 209 R N 0.619 121.012 120.500 -0.177 0.000 2.725 209 R HA 0.851 5.191 4.340 -0.000 0.000 0.277 209 R C -0.491 175.283 176.300 -0.877 0.000 0.987 209 R CA -1.040 54.702 56.100 -0.596 0.000 0.901 209 R CB 2.405 32.548 30.300 -0.262 0.000 1.207 209 R HN 0.923 nan 8.270 nan 0.000 0.463 210 G N 0.384 108.517 108.800 -1.112 0.000 2.321 210 G HA2 0.064 4.024 3.960 -0.000 0.000 0.296 210 G HA3 0.064 4.024 3.960 -0.000 0.000 0.296 210 G C -0.560 174.268 174.900 -0.120 0.000 1.287 210 G CA -0.602 44.184 45.100 -0.523 0.000 0.846 210 G HN 0.393 nan 8.290 nan 0.000 0.508 211 E N 0.299 120.576 120.200 0.128 0.000 2.012 211 E HA 0.044 4.393 4.350 -0.000 0.000 0.192 211 E C 1.108 177.895 176.600 0.312 0.000 0.977 211 E CA 0.810 57.310 56.400 0.166 0.000 0.832 211 E CB -0.201 29.554 29.700 0.091 0.000 0.790 211 E HN 0.653 nan 8.360 nan 0.000 0.466 212 R N 0.395 121.081 120.500 0.311 0.000 2.589 212 R HA 0.779 5.119 4.340 -0.000 0.000 0.293 212 R C -0.794 175.688 176.300 0.302 0.000 0.963 212 R CA -0.727 55.543 56.100 0.284 0.000 0.905 212 R CB 1.871 32.220 30.300 0.082 0.000 1.144 212 R HN 0.073 nan 8.270 nan 0.000 0.459 213 A N 3.085 125.950 122.820 0.074 0.000 2.393 213 A HA 0.545 4.865 4.320 -0.000 0.000 0.306 213 A C -1.527 175.958 177.584 -0.165 0.000 1.050 213 A CA -0.859 51.002 52.037 -0.293 0.000 0.724 213 A CB 1.760 20.160 19.000 -0.999 0.000 1.248 213 A HN 0.619 nan 8.150 nan 0.000 0.424 214 L N 1.773 122.789 121.223 -0.344 0.000 2.305 214 L HA 0.652 4.992 4.340 -0.000 0.000 0.284 214 L C -0.985 175.674 176.870 -0.351 0.000 1.013 214 L CA -0.126 54.421 54.840 -0.489 0.000 0.819 214 L CB 1.631 43.066 42.059 -1.040 0.000 1.227 214 L HN 0.661 nan 8.230 nan 0.000 0.417 215 D N 4.347 124.598 120.400 -0.248 0.000 2.479 215 D HA 0.285 4.925 4.640 -0.000 0.000 0.247 215 D C -0.789 175.403 176.300 -0.180 0.000 1.119 215 D CA -0.258 53.639 54.000 -0.171 0.000 0.922 215 D CB 0.746 41.515 40.800 -0.051 0.000 1.014 215 D HN 0.269 nan 8.370 nan 0.000 0.510 216 V N 4.231 124.001 119.914 -0.240 0.000 2.637 216 V HA 0.199 4.319 4.120 -0.000 0.000 0.296 216 V C 0.564 176.556 176.094 -0.169 0.000 1.046 216 V CA -0.294 61.794 62.300 -0.353 0.000 1.066 216 V CB -0.481 31.083 31.823 -0.432 0.000 0.968 216 V HN 0.626 nan 8.190 nan 0.000 0.483 217 F N 2.679 122.511 119.950 -0.196 0.000 2.695 217 F HA -0.221 4.306 4.527 -0.000 0.000 0.305 217 F C 1.581 177.245 175.800 -0.226 0.000 1.044 217 F CA 0.595 58.413 58.000 -0.304 0.000 1.049 217 F CB -1.479 37.363 39.000 -0.265 0.000 1.267 217 F HN 0.704 nan 8.300 nan 0.000 0.828 218 S N -1.056 114.632 115.700 -0.019 0.000 2.528 218 S HA 0.158 4.628 4.470 -0.000 0.000 0.219 218 S C 0.924 175.695 174.600 0.284 0.000 0.985 218 S CA 0.651 58.947 58.200 0.161 0.000 0.914 218 S CB -0.000 63.248 63.200 0.080 0.000 0.776 218 S HN 0.633 nan 8.310 nan 0.000 0.526 219 Y N 1.095 121.414 120.300 0.033 0.000 2.875 219 Y HA -0.427 4.123 4.550 -0.000 0.000 0.467 219 Y C 1.849 177.784 175.900 0.058 0.000 1.183 219 Y CA 0.193 58.309 58.100 0.026 0.000 2.568 219 Y CB -1.898 36.491 38.460 -0.119 0.000 1.216 219 Y HN 0.333 nan 8.280 nan 0.000 0.629 220 A N 1.638 124.635 122.820 0.295 0.000 2.265 220 A HA 0.437 4.757 4.320 -0.000 0.000 0.213 220 A C 1.718 179.381 177.584 0.132 0.000 1.255 220 A CA 1.157 53.304 52.037 0.184 0.000 0.862 220 A CB -1.518 17.592 19.000 0.184 0.000 0.852 220 A HN 2.106 nan 8.150 nan 0.000 0.484 221 G N -1.481 107.409 108.800 0.149 0.000 2.249 221 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.273 221 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.273 221 G C 1.127 176.087 174.900 0.100 0.000 1.036 221 G CA 0.569 45.745 45.100 0.127 0.000 0.824 221 G HN 1.214 nan 8.290 nan 0.000 0.504 222 G N -0.310 108.513 108.800 0.038 0.000 2.440 222 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.218 222 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.218 222 G C 1.432 176.347 174.900 0.025 0.000 1.154 222 G CA 1.499 46.552 45.100 -0.079 0.000 0.767 222 G HN 0.476 nan 8.290 nan 0.000 0.552 223 F N 1.688 121.690 119.950 0.086 0.000 2.146 223 F HA 0.109 4.636 4.527 -0.000 0.000 0.298 223 F C 3.044 178.920 175.800 0.126 0.000 1.096 223 F CA 0.858 58.927 58.000 0.115 0.000 1.275 223 F CB -0.467 38.579 39.000 0.076 0.000 1.008 223 F HN 0.237 nan 8.300 nan 0.000 0.480 224 A N 0.450 123.425 122.820 0.258 0.000 1.917 224 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 224 A C 2.277 179.934 177.584 0.122 0.000 1.182 224 A CA 1.708 53.832 52.037 0.144 0.000 0.633 224 A CB -1.185 17.873 19.000 0.097 0.000 0.819 224 A HN 0.391 nan 8.150 nan 0.000 0.448 225 L N -1.659 119.621 121.223 0.095 0.000 2.012 225 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 225 L C 2.615 179.451 176.870 -0.056 0.000 1.073 225 L CA 2.036 56.875 54.840 -0.002 0.000 0.748 225 L CB -0.945 41.069 42.059 -0.075 0.000 0.891 225 L HN 0.500 nan 8.230 nan 0.000 0.431 226 H N -0.521 118.603 119.070 0.091 0.000 2.389 226 H HA -0.072 4.484 4.556 -0.000 0.000 0.299 226 H C 2.287 177.721 175.328 0.176 0.000 1.081 226 H CA 1.115 57.234 56.048 0.118 0.000 1.345 226 H CB -0.107 29.718 29.762 0.106 0.000 1.393 226 H HN 0.161 nan 8.280 nan 0.000 0.520 227 L N -0.136 121.261 121.223 0.289 0.000 2.093 227 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 227 L C 2.591 179.640 176.870 0.299 0.000 1.085 227 L CA 0.762 55.772 54.840 0.282 0.000 0.755 227 L CB -0.461 41.643 42.059 0.074 0.000 0.904 227 L HN 0.320 nan 8.230 nan 0.000 0.435 228 A N -0.006 122.925 122.820 0.184 0.000 2.131 228 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 228 A C 2.151 179.832 177.584 0.162 0.000 1.158 228 A CA 1.296 53.428 52.037 0.159 0.000 0.665 228 A CB -0.634 18.421 19.000 0.093 0.000 0.795 228 A HN 0.442 nan 8.150 nan 0.000 0.460 229 L N -1.937 119.384 121.223 0.163 0.000 2.492 229 L HA 0.067 4.407 4.340 -0.000 0.000 0.223 229 L C 2.141 179.092 176.870 0.135 0.000 1.132 229 L CA 0.795 55.709 54.840 0.123 0.000 0.850 229 L CB -0.140 41.976 42.059 0.096 0.000 0.966 229 L HN 0.489 nan 8.230 nan 0.000 0.454 230 G N -1.374 107.561 108.800 0.224 0.000 3.104 230 G HA2 0.208 4.168 3.960 -0.000 0.000 0.237 230 G HA3 0.208 4.168 3.960 -0.000 0.000 0.237 230 G C -0.030 174.837 174.900 -0.055 0.000 1.035 230 G CA -0.094 45.065 45.100 0.098 0.000 0.844 230 G HN 0.010 nan 8.290 nan 0.000 0.531 231 F N -0.268 119.736 119.950 0.089 0.000 2.546 231 F HA 0.552 5.079 4.527 -0.000 0.000 0.320 231 F C 1.283 177.122 175.800 0.065 0.000 1.076 231 F CA -1.158 56.891 58.000 0.083 0.000 0.928 231 F CB 1.968 41.027 39.000 0.098 0.000 1.189 231 F HN -0.226 nan 8.300 nan 0.000 0.465 232 R N 0.241 120.871 120.500 0.217 0.000 2.096 232 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 232 R C 0.023 176.411 176.300 0.146 0.000 1.127 232 R CA 1.281 57.462 56.100 0.137 0.000 0.968 232 R CB 0.100 30.455 30.300 0.092 0.000 0.861 232 R HN 0.655 nan 8.270 nan 0.000 0.440 233 E N 0.395 120.706 120.200 0.186 0.000 2.290 233 E HA 0.304 4.654 4.350 -0.000 0.000 0.274 233 E C -1.625 175.058 176.600 0.140 0.000 0.889 233 E CA -0.793 55.691 56.400 0.141 0.000 0.760 233 E CB 2.086 31.849 29.700 0.106 0.000 1.206 233 E HN -0.036 nan 8.360 nan 0.000 0.419 234 V N 1.218 121.186 119.914 0.090 0.000 2.588 234 V HA 0.663 4.783 4.120 -0.000 0.000 0.304 234 V C -0.949 175.164 176.094 0.032 0.000 1.042 234 V CA -0.727 61.592 62.300 0.030 0.000 0.877 234 V CB 1.575 33.398 31.823 -0.000 0.000 0.996 234 V HN 0.417 nan 8.190 nan 0.000 0.425 235 V N 4.696 124.617 119.914 0.011 0.000 2.311 235 V HA 0.760 4.880 4.120 -0.000 0.000 0.275 235 V C 0.838 176.898 176.094 -0.057 0.000 1.022 235 V CA 0.021 62.320 62.300 -0.002 0.000 0.830 235 V CB 1.030 32.868 31.823 0.026 0.000 1.012 235 V HN 1.282 nan 8.190 nan 0.000 0.452 236 A N 5.541 128.342 122.820 -0.031 0.000 2.309 236 A HA 0.730 5.050 4.320 -0.000 0.000 0.290 236 A C -0.329 177.215 177.584 -0.066 0.000 1.206 236 A CA -0.298 51.717 52.037 -0.037 0.000 0.850 236 A CB 0.580 19.584 19.000 0.008 0.000 1.118 236 A HN 0.655 nan 8.150 nan 0.000 0.523 237 V N 2.841 122.683 119.914 -0.120 0.000 2.581 237 V HA 0.678 4.798 4.120 -0.000 0.000 0.303 237 V C -0.507 175.479 176.094 -0.180 0.000 1.041 237 V CA -0.387 61.818 62.300 -0.158 0.000 0.907 237 V CB 1.913 33.597 31.823 -0.232 0.000 0.994 237 V HN 1.039 nan 8.190 nan 0.000 0.442 238 D N 0.761 121.073 120.400 -0.146 0.000 2.685 238 D HA 0.281 4.921 4.640 -0.000 0.000 0.236 238 D C 0.420 176.673 176.300 -0.078 0.000 1.233 238 D CA 0.098 54.020 54.000 -0.130 0.000 0.760 238 D CB 2.080 42.819 40.800 -0.101 0.000 1.410 238 D HN 0.496 nan 8.370 nan 0.000 0.439 239 S N 0.221 115.897 115.700 -0.040 0.000 2.593 239 S HA 0.169 4.639 4.470 -0.000 0.000 0.217 239 S C 0.538 175.140 174.600 0.003 0.000 0.966 239 S CA -0.130 58.065 58.200 -0.008 0.000 0.914 239 S CB 0.059 63.277 63.200 0.030 0.000 0.776 239 S HN 0.222 nan 8.310 nan 0.000 0.523 240 S N 0.563 116.263 115.700 -0.000 0.000 2.438 240 S HA 0.708 5.178 4.470 -0.000 0.000 0.316 240 S C 1.051 175.659 174.600 0.014 0.000 1.084 240 S CA -0.241 57.968 58.200 0.015 0.000 1.107 240 S CB 0.983 64.200 63.200 0.028 0.000 0.981 240 S HN 0.483 nan 8.310 nan 0.000 0.466 241 A N 4.272 127.101 122.820 0.015 0.000 1.933 241 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 241 A C 2.075 179.673 177.584 0.024 0.000 1.175 241 A CA 1.313 53.359 52.037 0.015 0.000 0.628 241 A CB -0.591 18.417 19.000 0.013 0.000 0.814 241 A HN 0.836 nan 8.150 nan 0.000 0.444 242 E N 0.367 120.585 120.200 0.030 0.000 2.058 242 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 242 E C 2.265 178.896 176.600 0.051 0.000 0.997 242 E CA 1.426 57.849 56.400 0.038 0.000 0.801 242 E CB -0.372 29.353 29.700 0.041 0.000 0.746 242 E HN 0.483 nan 8.360 nan 0.000 0.450 243 A N 1.429 124.284 122.820 0.058 0.000 1.845 243 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 243 A C 2.488 180.111 177.584 0.064 0.000 1.195 243 A CA 1.580 53.664 52.037 0.078 0.000 0.616 243 A CB -0.963 18.078 19.000 0.068 0.000 0.832 243 A HN 0.316 nan 8.150 nan 0.000 0.443 244 L N -1.278 119.968 121.223 0.039 0.000 2.187 244 L HA -0.200 4.140 4.340 -0.000 0.000 0.213 244 L C 2.812 179.704 176.870 0.037 0.000 1.100 244 L CA 1.363 56.222 54.840 0.032 0.000 0.765 244 L CB -0.528 41.539 42.059 0.013 0.000 0.904 244 L HN 0.400 nan 8.230 nan 0.000 0.437 245 R N -0.164 120.359 120.500 0.037 0.000 2.066 245 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 245 R C 2.520 178.845 176.300 0.043 0.000 1.131 245 R CA 1.096 57.216 56.100 0.035 0.000 0.955 245 R CB -0.066 30.252 30.300 0.031 0.000 0.851 245 R HN 0.286 nan 8.270 nan 0.000 0.432 246 R N -0.207 120.326 120.500 0.056 0.000 2.120 246 R HA -0.061 4.279 4.340 -0.000 0.000 0.234 246 R C 2.165 178.509 176.300 0.073 0.000 1.123 246 R CA 1.198 57.338 56.100 0.067 0.000 0.975 246 R CB -0.239 30.113 30.300 0.086 0.000 0.866 246 R HN 0.207 nan 8.270 nan 0.000 0.446 247 A N 1.335 124.198 122.820 0.072 0.000 1.898 247 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 247 A C 1.914 179.531 177.584 0.056 0.000 1.181 247 A CA 1.253 53.332 52.037 0.070 0.000 0.620 247 A CB -0.279 18.761 19.000 0.066 0.000 0.819 247 A HN 0.302 nan 8.150 nan 0.000 0.442 248 E N -0.751 119.476 120.200 0.045 0.000 2.106 248 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 248 E C 2.043 178.666 176.600 0.038 0.000 0.984 248 E CA 1.156 57.578 56.400 0.037 0.000 0.806 248 E CB -0.093 29.625 29.700 0.030 0.000 0.750 248 E HN 0.804 nan 8.360 nan 0.000 0.458 249 E N 0.728 120.952 120.200 0.041 0.000 2.077 249 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 249 E C 1.840 178.466 176.600 0.045 0.000 0.989 249 E CA 0.939 57.361 56.400 0.038 0.000 0.800 249 E CB 0.156 29.878 29.700 0.038 0.000 0.746 249 E HN 0.122 nan 8.360 nan 0.000 0.452 250 N N 0.351 119.087 118.700 0.061 0.000 2.188 250 N HA -0.131 4.609 4.740 -0.000 0.000 0.184 250 N C 1.628 177.171 175.510 0.055 0.000 1.018 250 N CA 1.193 54.287 53.050 0.074 0.000 0.858 250 N CB -0.334 38.217 38.487 0.106 0.000 0.989 250 N HN 0.223 nan 8.380 nan 0.000 0.426 251 A N 1.361 124.210 122.820 0.048 0.000 1.902 251 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 251 A C 2.280 179.883 177.584 0.032 0.000 1.181 251 A CA 1.446 53.506 52.037 0.038 0.000 0.623 251 A CB -0.507 18.516 19.000 0.039 0.000 0.818 251 A HN 0.280 nan 8.150 nan 0.000 0.443 252 R N -0.766 119.753 120.500 0.031 0.000 2.075 252 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 252 R C 1.968 178.282 176.300 0.023 0.000 1.126 252 R CA 1.588 57.703 56.100 0.025 0.000 0.963 252 R CB -0.443 29.871 30.300 0.023 0.000 0.858 252 R HN 0.400 nan 8.270 nan 0.000 0.435 253 L N 1.386 122.624 121.223 0.026 0.000 2.261 253 L HA -0.118 4.222 4.340 -0.000 0.000 0.216 253 L C 0.858 177.740 176.870 0.020 0.000 1.114 253 L CA 1.758 56.611 54.840 0.022 0.000 0.777 253 L CB -0.304 41.771 42.059 0.027 0.000 0.910 253 L HN 0.264 nan 8.230 nan 0.000 0.440 254 N N -0.335 118.378 118.700 0.021 0.000 2.205 254 N HA 0.144 4.884 4.740 -0.000 0.000 0.201 254 N C 0.869 176.388 175.510 0.016 0.000 1.128 254 N CA 0.788 53.847 53.050 0.016 0.000 0.867 254 N CB 0.481 38.974 38.487 0.010 0.000 0.996 254 N HN 0.365 nan 8.380 nan 0.000 0.503 255 G N 1.668 110.479 108.800 0.019 0.000 2.333 255 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.296 255 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.296 255 G C -0.433 174.480 174.900 0.022 0.000 1.059 255 G CA 0.003 45.115 45.100 0.019 0.000 1.050 255 G HN 0.240 nan 8.290 nan 0.000 0.508 256 L N -0.013 121.225 121.223 0.026 0.000 2.316 256 L HA 0.630 4.970 4.340 -0.000 0.000 0.280 256 L C 1.331 178.221 176.870 0.033 0.000 1.006 256 L CA -0.172 54.687 54.840 0.032 0.000 0.836 256 L CB 1.792 43.871 42.059 0.033 0.000 1.221 256 L HN 0.217 nan 8.230 nan 0.000 0.418 257 G N 1.146 109.966 108.800 0.034 0.000 3.126 257 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.224 257 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.224 257 G C 0.786 175.710 174.900 0.039 0.000 1.142 257 G CA -0.148 44.971 45.100 0.033 0.000 0.759 257 G HN 0.677 nan 8.290 nan 0.000 0.550 258 N N 0.558 119.287 118.700 0.048 0.000 2.268 258 N HA 0.053 4.793 4.740 -0.000 0.000 0.204 258 N C -0.303 175.245 175.510 0.062 0.000 1.124 258 N CA -0.083 53.002 53.050 0.058 0.000 0.838 258 N CB 0.698 39.229 38.487 0.073 0.000 0.994 258 N HN -0.006 nan 8.380 nan 0.000 0.489 259 V N 1.493 121.438 119.914 0.052 0.000 2.347 259 V HA 0.351 4.471 4.120 -0.000 0.000 0.280 259 V C 0.035 176.152 176.094 0.039 0.000 1.021 259 V CA -0.728 61.601 62.300 0.048 0.000 0.847 259 V CB 0.896 32.746 31.823 0.047 0.000 0.990 259 V HN 0.132 nan 8.190 nan 0.000 0.444 260 R N 3.534 124.056 120.500 0.036 0.000 2.310 260 R HA 0.586 4.926 4.340 -0.000 0.000 0.324 260 R C -0.293 176.018 176.300 0.019 0.000 0.955 260 R CA -0.591 55.527 56.100 0.029 0.000 0.830 260 R CB 1.956 32.276 30.300 0.034 0.000 1.154 260 R HN 0.684 nan 8.270 nan 0.000 0.458 261 V N 1.329 121.252 119.914 0.015 0.000 3.319 261 V HA 0.469 4.589 4.120 -0.000 0.000 0.303 261 V C -0.115 175.976 176.094 -0.004 0.000 1.094 261 V CA -0.633 61.670 62.300 0.005 0.000 1.106 261 V CB 0.889 32.718 31.823 0.010 0.000 1.099 261 V HN 0.650 nan 8.190 nan 0.000 0.476 262 L N 0.979 122.191 121.223 -0.019 0.000 2.635 262 L HA 0.407 4.747 4.340 -0.000 0.000 0.251 262 L C -0.428 176.417 176.870 -0.041 0.000 1.056 262 L CA -0.098 54.727 54.840 -0.026 0.000 0.936 262 L CB 0.969 43.010 42.059 -0.031 0.000 1.162 262 L HN 1.002 nan 8.230 nan 0.000 0.481 263 E N 3.109 123.292 120.200 -0.028 0.000 2.480 263 E HA 0.526 4.876 4.350 -0.000 0.000 0.258 263 E C -0.413 176.165 176.600 -0.037 0.000 0.984 263 E CA 0.819 57.201 56.400 -0.030 0.000 0.930 263 E CB 0.602 30.294 29.700 -0.014 0.000 0.936 263 E HN 0.788 nan 8.360 nan 0.000 0.466 264 A N 4.609 127.398 122.820 -0.052 0.000 2.549 264 A HA 0.207 4.527 4.320 -0.000 0.000 0.291 264 A C -1.359 176.189 177.584 -0.061 0.000 1.034 264 A CA -0.824 51.182 52.037 -0.053 0.000 0.655 264 A CB 1.025 19.985 19.000 -0.066 0.000 1.299 264 A HN 0.667 nan 8.150 nan 0.000 0.427 265 N N 0.938 119.618 118.700 -0.032 0.000 2.420 265 N HA 0.379 5.119 4.740 -0.000 0.000 0.249 265 N C 1.196 176.686 175.510 -0.033 0.000 1.033 265 N CA 0.455 53.511 53.050 0.010 0.000 0.944 265 N CB 1.677 40.196 38.487 0.054 0.000 1.113 265 N HN 0.876 nan 8.380 nan 0.000 0.502 266 A N 4.883 127.611 122.820 -0.154 0.000 1.884 266 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 266 A C 1.564 178.998 177.584 -0.250 0.000 1.197 266 A CA 1.457 53.258 52.037 -0.392 0.000 0.637 266 A CB -0.834 17.583 19.000 -0.971 0.000 0.827 266 A HN 0.741 nan 8.150 nan 0.000 0.450 267 F N 0.879 120.768 119.950 -0.101 0.000 2.120 267 F HA -0.234 4.293 4.527 -0.000 0.000 0.300 267 F C 2.292 178.054 175.800 -0.064 0.000 1.095 267 F CA 1.822 59.787 58.000 -0.058 0.000 1.249 267 F CB -0.489 38.486 39.000 -0.040 0.000 0.995 267 F HN 0.285 nan 8.300 nan 0.000 0.480 268 D N 0.068 120.545 120.400 0.130 0.000 2.110 268 D HA -0.113 4.527 4.640 -0.000 0.000 0.202 268 D C 2.327 178.627 176.300 0.001 0.000 0.975 268 D CA 0.922 54.952 54.000 0.051 0.000 0.839 268 D CB -0.934 39.886 40.800 0.034 0.000 0.996 268 D HN 0.188 nan 8.370 nan 0.000 0.464 269 L N 1.482 122.686 121.223 -0.032 0.000 2.021 269 L HA -0.209 4.131 4.340 -0.000 0.000 0.215 269 L C 2.218 179.050 176.870 -0.064 0.000 1.074 269 L CA 1.570 56.375 54.840 -0.059 0.000 0.760 269 L CB -0.796 41.199 42.059 -0.106 0.000 0.889 269 L HN 0.001 nan 8.230 nan 0.000 0.433 270 L N -0.943 120.222 121.223 -0.098 0.000 2.046 270 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 270 L C 2.789 179.636 176.870 -0.039 0.000 1.077 270 L CA 1.597 56.380 54.840 -0.095 0.000 0.747 270 L CB -0.571 41.403 42.059 -0.141 0.000 0.896 270 L HN 0.277 nan 8.230 nan 0.000 0.432 271 R N -0.500 119.989 120.500 -0.019 0.000 2.096 271 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 271 R C 2.424 178.726 176.300 0.004 0.000 1.127 271 R CA 1.093 57.193 56.100 -0.000 0.000 0.968 271 R CB -0.318 29.990 30.300 0.013 0.000 0.861 271 R HN 0.308 nan 8.270 nan 0.000 0.440 272 R N 1.088 121.588 120.500 0.001 0.000 2.062 272 R HA -0.069 4.271 4.340 -0.000 0.000 0.231 272 R C 2.238 178.548 176.300 0.017 0.000 1.136 272 R CA 1.230 57.334 56.100 0.006 0.000 0.948 272 R CB -0.246 30.055 30.300 0.002 0.000 0.845 272 R HN 0.158 nan 8.270 nan 0.000 0.430 273 L N 0.773 122.011 121.223 0.025 0.000 2.079 273 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 273 L C 2.649 179.557 176.870 0.064 0.000 1.081 273 L CA 1.598 56.477 54.840 0.065 0.000 0.752 273 L CB -0.499 41.626 42.059 0.111 0.000 0.896 273 L HN 0.413 nan 8.230 nan 0.000 0.433 274 E N 0.847 121.072 120.200 0.041 0.000 2.017 274 E HA -0.304 4.046 4.350 -0.000 0.000 0.193 274 E C 2.264 178.879 176.600 0.025 0.000 0.997 274 E CA 1.549 57.970 56.400 0.035 0.000 0.804 274 E CB -0.034 29.677 29.700 0.018 0.000 0.757 274 E HN 0.336 nan 8.360 nan 0.000 0.448 275 K N 0.610 121.021 120.400 0.018 0.000 2.032 275 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 275 K C 1.742 178.349 176.600 0.011 0.000 1.048 275 K CA 1.961 58.255 56.287 0.012 0.000 0.927 275 K CB -0.135 32.371 32.500 0.010 0.000 0.712 275 K HN 0.184 nan 8.250 nan 0.000 0.441 276 E N -0.717 119.491 120.200 0.013 0.000 2.472 276 E HA -0.046 4.304 4.350 -0.000 0.000 0.200 276 E C 0.677 177.278 176.600 0.002 0.000 1.046 276 E CA 0.439 56.844 56.400 0.008 0.000 0.871 276 E CB -0.057 29.650 29.700 0.011 0.000 0.806 276 E HN 0.673 nan 8.360 nan 0.000 0.533 277 G N 1.910 110.714 108.800 0.007 0.000 2.160 277 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.244 277 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.244 277 G C -0.218 174.669 174.900 -0.021 0.000 1.022 277 G CA -0.166 44.931 45.100 -0.003 0.000 0.741 277 G HN 0.124 nan 8.290 nan 0.000 0.508 278 E N 0.376 120.574 120.200 -0.003 0.000 2.259 278 E HA 0.397 4.747 4.350 -0.000 0.000 0.281 278 E C 0.654 177.217 176.600 -0.062 0.000 1.037 278 E CA -0.078 56.285 56.400 -0.060 0.000 0.854 278 E CB 0.781 30.514 29.700 0.054 0.000 1.051 278 E HN 0.294 nan 8.360 nan 0.000 0.409 279 R N 2.555 122.889 120.500 -0.276 0.000 2.670 279 R HA 0.541 4.881 4.340 -0.000 0.000 0.289 279 R C -0.529 175.493 176.300 -0.463 0.000 0.965 279 R CA -0.709 55.291 56.100 -0.167 0.000 0.899 279 R CB 0.974 31.222 30.300 -0.086 0.000 1.173 279 R HN 0.314 nan 8.270 nan 0.000 0.456 280 F N -0.536 119.414 119.950 0.000 0.000 2.631 280 F HA 0.299 4.826 4.527 -0.000 0.000 0.328 280 F C 1.011 176.835 175.800 0.040 0.000 1.067 280 F CA -0.855 57.152 58.000 0.011 0.000 0.969 280 F CB 1.346 40.328 39.000 -0.031 0.000 1.332 280 F HN 0.394 nan 8.300 nan 0.000 0.490 281 D N 0.389 120.963 120.400 0.289 0.000 2.346 281 D HA 0.223 4.863 4.640 -0.000 0.000 0.206 281 D C -0.610 175.835 176.300 0.242 0.000 1.001 281 D CA 0.778 54.939 54.000 0.269 0.000 0.871 281 D CB 0.803 41.827 40.800 0.373 0.000 0.943 281 D HN 0.243 nan 8.370 nan 0.000 0.518 282 L N -0.143 121.171 121.223 0.151 0.000 2.591 282 L HA 0.456 4.796 4.340 -0.000 0.000 0.257 282 L C -2.058 174.716 176.870 -0.160 0.000 0.935 282 L CA -0.655 54.164 54.840 -0.034 0.000 0.873 282 L CB 1.857 43.862 42.059 -0.089 0.000 1.397 282 L HN -0.354 nan 8.230 nan 0.000 0.414 283 V N 4.396 124.197 119.914 -0.189 0.000 2.686 283 V HA 0.540 4.660 4.120 -0.000 0.000 0.306 283 V C -0.670 175.275 176.094 -0.249 0.000 1.065 283 V CA -0.632 61.515 62.300 -0.254 0.000 0.894 283 V CB 2.116 33.793 31.823 -0.244 0.000 1.004 283 V HN 0.475 nan 8.190 nan 0.000 0.424 284 V N 5.802 125.550 119.914 -0.276 0.000 2.435 284 V HA 0.514 4.634 4.120 -0.000 0.000 0.290 284 V C -0.311 175.634 176.094 -0.248 0.000 1.030 284 V CA -0.508 61.605 62.300 -0.311 0.000 0.881 284 V CB 1.817 33.395 31.823 -0.407 0.000 0.983 284 V HN 0.650 nan 8.190 nan 0.000 0.445 285 L N 4.127 125.219 121.223 -0.218 0.000 2.318 285 L HA 0.523 4.863 4.340 -0.000 0.000 0.277 285 L C -0.726 176.097 176.870 -0.078 0.000 1.008 285 L CA -0.179 54.618 54.840 -0.072 0.000 0.846 285 L CB 1.527 43.558 42.059 -0.046 0.000 1.220 285 L HN 0.666 nan 8.230 nan 0.000 0.423 286 D N 4.988 125.407 120.400 0.031 0.000 2.749 286 D HA 0.293 4.933 4.640 -0.000 0.000 0.338 286 D C -2.482 173.790 176.300 -0.046 0.000 1.236 286 D CA -1.884 52.123 54.000 0.012 0.000 0.845 286 D CB 0.960 41.809 40.800 0.081 0.000 1.080 286 D HN 0.084 nan 8.370 nan 0.000 0.497 287 P HA 0.128 nan 4.420 nan 0.000 0.266 287 P C -2.535 174.395 177.300 -0.616 0.000 1.193 287 P CA -0.687 61.805 63.100 -1.013 0.000 0.770 287 P CB 0.299 31.395 31.700 -1.008 0.000 0.836 288 P HA 0.204 nan 4.420 nan 0.000 0.278 288 P C -0.817 176.352 177.300 -0.218 0.000 1.266 288 P CA -0.529 62.455 63.100 -0.194 0.000 0.807 288 P CB 0.415 32.077 31.700 -0.063 0.000 1.094 289 A N 1.143 123.941 122.820 -0.036 0.000 2.537 289 A HA 0.016 4.336 4.320 -0.000 0.000 0.260 289 A C 0.796 178.471 177.584 0.152 0.000 1.082 289 A CA 0.343 52.398 52.037 0.029 0.000 0.765 289 A CB -1.325 17.713 19.000 0.063 0.000 1.019 289 A HN 0.613 nan 8.150 nan 0.000 0.507 290 F N 1.793 121.760 119.950 0.028 0.000 2.335 290 F HA 0.110 4.637 4.527 -0.000 0.000 0.296 290 F C 1.710 177.537 175.800 0.043 0.000 1.091 290 F CA 0.589 58.563 58.000 -0.044 0.000 1.399 290 F CB 0.274 39.137 39.000 -0.228 0.000 1.067 290 F HN 0.663 nan 8.300 nan 0.000 0.520 291 A N 0.069 123.092 122.820 0.338 0.000 2.288 291 A HA 0.554 4.874 4.320 -0.000 0.000 0.328 291 A C 0.223 177.984 177.584 0.295 0.000 1.123 291 A CA -0.530 51.670 52.037 0.272 0.000 0.861 291 A CB 1.245 20.419 19.000 0.289 0.000 1.272 291 A HN 0.150 nan 8.150 nan 0.000 0.490 292 K N -0.573 119.946 120.400 0.198 0.000 2.538 292 K HA 0.367 4.687 4.320 -0.000 0.000 0.215 292 K C 0.525 177.234 176.600 0.183 0.000 1.345 292 K CA 0.717 57.140 56.287 0.226 0.000 0.985 292 K CB 1.084 33.660 32.500 0.126 0.000 1.116 292 K HN 0.837 nan 8.250 nan 0.000 0.582 293 G N 0.180 108.890 108.800 -0.149 0.000 2.725 293 G HA2 0.383 4.343 3.960 -0.000 0.000 0.288 293 G HA3 0.383 4.343 3.960 -0.000 0.000 0.288 293 G C -0.668 173.801 174.900 -0.719 0.000 1.399 293 G CA -0.767 44.121 45.100 -0.352 0.000 0.859 293 G HN -0.139 nan 8.290 nan 0.000 0.479 294 K N -0.143 120.007 120.400 -0.417 0.000 2.504 294 K HA 0.041 4.361 4.320 -0.000 0.000 0.195 294 K C 2.117 178.644 176.600 -0.122 0.000 1.036 294 K CA 0.879 57.029 56.287 -0.228 0.000 0.984 294 K CB 0.173 32.646 32.500 -0.046 0.000 0.788 294 K HN 0.597 nan 8.250 nan 0.000 0.488 295 K N 0.105 120.433 120.400 -0.121 0.000 2.098 295 K HA 0.010 4.330 4.320 -0.000 0.000 0.203 295 K C 0.742 177.315 176.600 -0.045 0.000 1.051 295 K CA 1.091 57.340 56.287 -0.062 0.000 0.957 295 K CB -0.035 32.435 32.500 -0.050 0.000 0.738 295 K HN -0.045 nan 8.250 nan 0.000 0.447 296 D N 2.336 122.700 120.400 -0.061 0.000 2.219 296 D HA -0.122 4.518 4.640 -0.000 0.000 0.205 296 D C 2.182 178.512 176.300 0.050 0.000 0.970 296 D CA 1.514 55.509 54.000 -0.008 0.000 0.851 296 D CB -0.242 40.561 40.800 0.004 0.000 0.943 296 D HN 0.236 nan 8.370 nan 0.000 0.488 297 V N 0.837 120.781 119.914 0.050 0.000 2.280 297 V HA -0.382 3.738 4.120 -0.000 0.000 0.258 297 V C 2.384 178.574 176.094 0.160 0.000 1.081 297 V CA 2.467 64.851 62.300 0.140 0.000 1.070 297 V CB -0.938 30.952 31.823 0.111 0.000 0.666 297 V HN 0.015 nan 8.190 nan 0.000 0.450 298 E N 1.573 121.823 120.200 0.083 0.000 2.021 298 E HA -0.243 4.107 4.350 -0.000 0.000 0.200 298 E C 2.324 178.991 176.600 0.112 0.000 1.015 298 E CA 2.405 58.845 56.400 0.066 0.000 0.824 298 E CB -0.544 29.166 29.700 0.017 0.000 0.762 298 E HN 0.689 nan 8.360 nan 0.000 0.454 299 R N 0.228 120.769 120.500 0.069 0.000 2.091 299 R HA -0.079 4.261 4.340 -0.000 0.000 0.238 299 R C 2.480 178.826 176.300 0.077 0.000 1.136 299 R CA 1.184 57.309 56.100 0.041 0.000 0.959 299 R CB -0.659 29.629 30.300 -0.019 0.000 0.856 299 R HN 0.298 nan 8.270 nan 0.000 0.437 300 A N 1.134 124.040 122.820 0.144 0.000 1.865 300 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 300 A C 2.046 179.879 177.584 0.415 0.000 1.191 300 A CA 1.485 53.672 52.037 0.250 0.000 0.623 300 A CB -0.972 18.262 19.000 0.389 0.000 0.826 300 A HN 0.448 nan 8.150 nan 0.000 0.444 301 Y N 0.677 121.155 120.300 0.296 0.000 2.102 301 Y HA -0.315 4.235 4.550 -0.000 0.000 0.280 301 Y C 2.609 178.641 175.900 0.219 0.000 1.178 301 Y CA 2.467 60.734 58.100 0.278 0.000 1.146 301 Y CB -0.186 38.362 38.460 0.147 0.000 0.968 301 Y HN 0.293 nan 8.280 nan 0.000 0.504 302 R N -0.378 120.323 120.500 0.335 0.000 2.115 302 R HA -0.110 4.230 4.340 -0.000 0.000 0.230 302 R C 2.507 178.884 176.300 0.129 0.000 1.111 302 R CA 0.913 57.132 56.100 0.198 0.000 0.976 302 R CB -0.569 29.813 30.300 0.136 0.000 0.870 302 R HN 0.425 nan 8.270 nan 0.000 0.445 303 A N 0.706 123.587 122.820 0.101 0.000 1.858 303 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 303 A C 1.790 179.536 177.584 0.270 0.000 1.190 303 A CA 1.145 53.233 52.037 0.084 0.000 0.617 303 A CB -0.722 18.073 19.000 -0.343 0.000 0.827 303 A HN 0.257 nan 8.150 nan 0.000 0.443 304 Y N 0.124 120.615 120.300 0.319 0.000 2.165 304 Y HA -0.229 4.321 4.550 -0.000 0.000 0.286 304 Y C 2.452 178.331 175.900 -0.034 0.000 1.155 304 Y CA 1.994 60.201 58.100 0.178 0.000 1.164 304 Y CB -0.321 38.154 38.460 0.024 0.000 0.978 304 Y HN 0.366 nan 8.280 nan 0.000 0.513 305 K N 0.297 120.725 120.400 0.046 0.000 2.057 305 K HA -0.270 4.050 4.320 -0.000 0.000 0.207 305 K C 2.121 178.712 176.600 -0.014 0.000 1.049 305 K CA 1.775 58.018 56.287 -0.073 0.000 0.931 305 K CB -0.106 32.334 32.500 -0.100 0.000 0.714 305 K HN 0.159 nan 8.250 nan 0.000 0.440 306 E N 0.691 120.924 120.200 0.055 0.000 2.023 306 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 306 E C 1.839 178.451 176.600 0.020 0.000 1.003 306 E CA 1.655 58.092 56.400 0.062 0.000 0.809 306 E CB -0.699 29.090 29.700 0.148 0.000 0.755 306 E HN 0.157 nan 8.360 nan 0.000 0.449 307 V N 1.029 120.951 119.914 0.014 0.000 2.343 307 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 307 V C 1.958 178.005 176.094 -0.079 0.000 1.051 307 V CA 2.346 64.588 62.300 -0.097 0.000 1.036 307 V CB -0.583 31.141 31.823 -0.165 0.000 0.654 307 V HN 0.341 nan 8.190 nan 0.000 0.451 308 N N -0.120 118.545 118.700 -0.057 0.000 2.142 308 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 308 N C 1.757 177.191 175.510 -0.127 0.000 1.023 308 N CA 1.744 54.725 53.050 -0.114 0.000 0.852 308 N CB -0.280 38.104 38.487 -0.172 0.000 0.998 308 N HN 0.458 nan 8.380 nan 0.000 0.424 309 L N 2.321 123.481 121.223 -0.105 0.000 2.012 309 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 309 L C 2.212 179.036 176.870 -0.077 0.000 1.073 309 L CA 1.618 56.401 54.840 -0.096 0.000 0.748 309 L CB -0.535 41.480 42.059 -0.074 0.000 0.891 309 L HN -0.018 nan 8.230 nan 0.000 0.431 310 R N 0.192 120.652 120.500 -0.068 0.000 2.083 310 R HA -0.079 4.260 4.340 -0.000 0.000 0.237 310 R C 2.252 178.506 176.300 -0.077 0.000 1.137 310 R CA 1.527 57.589 56.100 -0.063 0.000 0.951 310 R CB -1.600 28.657 30.300 -0.072 0.000 0.851 310 R HN 0.541 nan 8.270 nan 0.000 0.434 311 A N 1.338 124.093 122.820 -0.107 0.000 1.892 311 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 311 A C 2.401 179.933 177.584 -0.086 0.000 1.188 311 A CA 1.552 53.517 52.037 -0.121 0.000 0.631 311 A CB -0.643 18.271 19.000 -0.143 0.000 0.822 311 A HN 0.239 nan 8.150 nan 0.000 0.447 312 I N -0.629 119.887 120.570 -0.090 0.000 2.163 312 I HA -0.298 3.872 4.170 -0.000 0.000 0.243 312 I C 2.318 178.415 176.117 -0.034 0.000 1.085 312 I CA 1.857 63.112 61.300 -0.075 0.000 1.347 312 I CB -0.280 37.657 38.000 -0.105 0.000 1.044 312 I HN 0.280 nan 8.210 nan 0.000 0.408 313 K N 0.493 120.876 120.400 -0.028 0.000 2.362 313 K HA -0.038 4.282 4.320 -0.000 0.000 0.200 313 K C 1.719 178.335 176.600 0.027 0.000 1.046 313 K CA 0.849 57.136 56.287 0.001 0.000 0.952 313 K CB -0.002 32.498 32.500 -0.000 0.000 0.753 313 K HN 0.362 nan 8.250 nan 0.000 0.466 314 L N 0.745 121.989 121.223 0.034 0.000 2.558 314 L HA 0.111 4.451 4.340 -0.000 0.000 0.225 314 L C 0.447 177.406 176.870 0.148 0.000 1.128 314 L CA -0.066 54.841 54.840 0.111 0.000 0.868 314 L CB -0.002 42.127 42.059 0.118 0.000 1.006 314 L HN 0.091 nan 8.230 nan 0.000 0.454 315 L N 0.706 121.976 121.223 0.079 0.000 2.326 315 L HA 0.224 4.564 4.340 -0.000 0.000 0.278 315 L C 0.380 177.291 176.870 0.069 0.000 1.092 315 L CA -0.234 54.656 54.840 0.083 0.000 0.810 315 L CB 1.051 43.137 42.059 0.044 0.000 1.153 315 L HN 0.064 nan 8.230 nan 0.000 0.439 316 K N 1.792 122.238 120.400 0.076 0.000 2.120 316 K HA 0.124 4.444 4.320 -0.000 0.000 0.245 316 K C 0.029 176.660 176.600 0.053 0.000 1.024 316 K CA -0.671 55.648 56.287 0.054 0.000 0.906 316 K CB 0.598 33.129 32.500 0.052 0.000 1.051 316 K HN 0.508 nan 8.250 nan 0.000 0.491 317 E N 0.655 120.880 120.200 0.043 0.000 2.493 317 E HA -0.085 4.265 4.350 -0.000 0.000 0.255 317 E C 0.367 177.000 176.600 0.054 0.000 0.999 317 E CA 0.793 57.218 56.400 0.043 0.000 0.934 317 E CB -0.115 29.606 29.700 0.034 0.000 0.940 317 E HN 0.784 nan 8.360 nan 0.000 0.473 318 G N 3.035 111.872 108.800 0.062 0.000 2.157 318 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.248 318 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.248 318 G C 0.483 175.439 174.900 0.093 0.000 0.979 318 G CA -0.080 45.066 45.100 0.077 0.000 0.650 318 G HN 0.873 nan 8.290 nan 0.000 0.529 319 G N -0.665 108.186 108.800 0.085 0.000 2.606 319 G HA2 0.540 4.500 3.960 -0.000 0.000 0.252 319 G HA3 0.540 4.500 3.960 -0.000 0.000 0.252 319 G C -0.291 174.653 174.900 0.074 0.000 1.206 319 G CA -0.240 44.915 45.100 0.092 0.000 0.861 319 G HN 0.470 nan 8.290 nan 0.000 0.561 320 I N -0.044 120.548 120.570 0.037 0.000 2.412 320 I HA 0.390 4.560 4.170 -0.000 0.000 0.296 320 I C -0.388 175.687 176.117 -0.071 0.000 0.987 320 I CA -0.737 60.540 61.300 -0.037 0.000 1.180 320 I CB 1.866 39.715 38.000 -0.250 0.000 1.340 320 I HN 0.306 nan 8.210 nan 0.000 0.455 321 L N 6.953 128.169 121.223 -0.012 0.000 2.349 321 L HA 0.878 5.218 4.340 -0.000 0.000 0.278 321 L C -0.682 176.176 176.870 -0.021 0.000 0.996 321 L CA -0.306 54.522 54.840 -0.021 0.000 0.825 321 L CB 1.330 43.402 42.059 0.022 0.000 1.243 321 L HN 0.654 nan 8.230 nan 0.000 0.412 322 A N 3.496 126.213 122.820 -0.170 0.000 2.267 322 A HA 0.704 5.024 4.320 -0.000 0.000 0.315 322 A C -0.298 177.064 177.584 -0.369 0.000 1.297 322 A CA -0.337 51.495 52.037 -0.343 0.000 0.865 322 A CB 0.809 19.594 19.000 -0.359 0.000 1.165 322 A HN 0.703 nan 8.150 nan 0.000 0.513 323 T N 1.003 115.381 114.554 -0.294 0.000 2.887 323 T HA 0.814 5.164 4.350 -0.000 0.000 0.288 323 T C -0.271 174.354 174.700 -0.124 0.000 1.021 323 T CA 0.362 62.379 62.100 -0.137 0.000 1.000 323 T CB 1.352 70.228 68.868 0.013 0.000 1.034 323 T HN 1.730 nan 8.240 nan 0.000 0.467 324 A N 1.897 124.685 122.820 -0.053 0.000 2.567 324 A HA 0.911 5.231 4.320 -0.000 0.000 0.289 324 A C -0.791 176.606 177.584 -0.311 0.000 1.177 324 A CA -0.645 51.241 52.037 -0.251 0.000 0.694 324 A CB 1.520 20.433 19.000 -0.146 0.000 1.292 324 A HN 1.162 nan 8.150 nan 0.000 0.425 325 S N -1.221 114.135 115.700 -0.574 0.000 2.584 325 S HA 0.402 4.871 4.470 -0.000 0.000 0.280 325 S C -0.542 173.851 174.600 -0.346 0.000 1.162 325 S CA 0.054 57.987 58.200 -0.444 0.000 0.951 325 S CB 0.663 63.451 63.200 -0.686 0.000 1.108 325 S HN 2.126 nan 8.310 nan 0.000 0.464 326 C N 3.123 122.320 119.300 -0.172 0.000 2.469 326 C HA 0.748 5.208 4.460 -0.000 0.000 0.298 326 C C 0.650 175.560 174.990 -0.134 0.000 1.436 326 C CA -0.346 58.640 59.018 -0.053 0.000 1.783 326 C CB -1.997 25.757 27.740 0.024 0.000 2.726 326 C HN 0.721 nan 8.230 nan 0.000 0.541 327 S N -0.354 115.233 115.700 -0.188 0.000 2.472 327 S HA 0.440 4.910 4.470 -0.000 0.000 0.303 327 S C 1.028 175.460 174.600 -0.280 0.000 1.099 327 S CA -0.345 57.705 58.200 -0.251 0.000 1.077 327 S CB 0.503 63.698 63.200 -0.008 0.000 1.031 327 S HN 0.626 nan 8.310 nan 0.000 0.487 328 H N 2.931 121.923 119.070 -0.130 0.000 2.457 328 H HA 0.033 4.589 4.556 -0.000 0.000 0.294 328 H C 0.577 175.835 175.328 -0.117 0.000 1.064 328 H CA 0.974 56.942 56.048 -0.132 0.000 1.330 328 H CB -0.352 29.298 29.762 -0.187 0.000 1.395 328 H HN 0.638 nan 8.280 nan 0.000 0.541 332 E N 0.725 120.999 120.200 0.122 0.000 2.070 332 E HA -0.093 4.256 4.350 -0.000 0.000 0.197 332 E C -0.980 175.839 176.600 0.366 0.000 1.004 332 E CA 2.008 58.556 56.400 0.247 0.000 0.805 332 E CB -0.940 28.965 29.700 0.340 0.000 0.744 332 E HN 0.548 nan 8.360 nan 0.000 0.451 333 P HA -0.179 nan 4.420 nan 0.000 0.215 333 P C 1.358 178.802 177.300 0.239 0.000 1.157 333 P CA 1.257 64.508 63.100 0.253 0.000 0.868 333 P CB -0.066 31.736 31.700 0.169 0.000 0.788 334 L N -2.548 118.802 121.223 0.211 0.000 2.046 334 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 334 L C 2.438 179.402 176.870 0.157 0.000 1.077 334 L CA 1.372 56.354 54.840 0.238 0.000 0.747 334 L CB -0.897 41.317 42.059 0.258 0.000 0.896 334 L HN -0.066 nan 8.230 nan 0.000 0.432 335 F N 0.071 119.971 119.950 -0.082 0.000 2.091 335 F HA -0.314 4.212 4.527 -0.000 0.000 0.299 335 F C 2.321 177.914 175.800 -0.345 0.000 1.103 335 F CA 1.722 59.525 58.000 -0.328 0.000 1.228 335 F CB -0.462 38.255 39.000 -0.471 0.000 0.984 335 F HN -0.036 nan 8.300 nan 0.000 0.477 336 Y N 0.214 120.531 120.300 0.029 0.000 2.373 336 Y HA 0.154 4.704 4.550 -0.000 0.000 0.293 336 Y C 1.863 177.714 175.900 -0.083 0.000 1.129 336 Y CA 0.252 58.336 58.100 -0.027 0.000 1.226 336 Y CB -1.263 37.269 38.460 0.120 0.000 1.000 336 Y HN 0.111 nan 8.280 nan 0.000 0.549 340 A N 0.286 122.966 122.820 -0.235 0.000 1.933 340 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 340 A C 1.852 179.362 177.584 -0.123 0.000 1.175 340 A CA 2.425 54.374 52.037 -0.147 0.000 0.628 340 A CB -0.339 18.634 19.000 -0.045 0.000 0.814 340 A HN 0.689 nan 8.150 nan 0.000 0.444 341 E N -0.132 120.008 120.200 -0.099 0.000 2.085 341 E HA -0.140 4.209 4.350 -0.000 0.000 0.194 341 E C 2.141 178.676 176.600 -0.109 0.000 0.994 341 E CA 1.167 57.532 56.400 -0.060 0.000 0.801 341 E CB -0.271 29.438 29.700 0.015 0.000 0.743 341 E HN 0.552 nan 8.360 nan 0.000 0.453 342 A N 1.103 123.824 122.820 -0.166 0.000 1.858 342 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 342 A C 2.428 179.907 177.584 -0.175 0.000 1.190 342 A CA 2.000 53.933 52.037 -0.173 0.000 0.617 342 A CB -0.991 17.879 19.000 -0.217 0.000 0.827 342 A HN 0.420 nan 8.150 nan 0.000 0.443 343 A N -0.782 121.917 122.820 -0.202 0.000 1.902 343 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 343 A C 2.144 179.643 177.584 -0.140 0.000 1.181 343 A CA 1.720 53.650 52.037 -0.180 0.000 0.623 343 A CB -0.593 18.281 19.000 -0.210 0.000 0.818 343 A HN 0.685 nan 8.150 nan 0.000 0.443 344 Q N -0.420 119.302 119.800 -0.130 0.000 2.020 344 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 344 Q C 1.575 177.445 176.000 -0.216 0.000 0.982 344 Q CA 1.459 57.191 55.803 -0.119 0.000 0.838 344 Q CB -0.332 28.359 28.738 -0.079 0.000 0.899 344 Q HN 0.585 nan 8.270 nan 0.000 0.423 345 D N 0.620 120.891 120.400 -0.214 0.000 2.182 345 D HA -0.134 4.506 4.640 -0.000 0.000 0.201 345 D C 1.540 177.576 176.300 -0.440 0.000 0.986 345 D CA 1.302 55.123 54.000 -0.298 0.000 0.847 345 D CB -0.111 40.590 40.800 -0.166 0.000 0.942 345 D HN 0.263 nan 8.370 nan 0.000 0.467 346 A N 0.265 122.923 122.820 -0.271 0.000 2.235 346 A HA -0.116 4.204 4.320 -0.000 0.000 0.208 346 A C 0.130 177.662 177.584 -0.086 0.000 1.172 346 A CA 0.355 52.293 52.037 -0.166 0.000 0.786 346 A CB -0.549 18.391 19.000 -0.100 0.000 0.804 346 A HN 0.311 nan 8.150 nan 0.000 0.479 347 H N -1.188 117.866 119.070 -0.027 0.000 2.791 347 H HA -0.129 4.427 4.556 -0.000 0.000 0.302 347 H C -0.120 175.195 175.328 -0.021 0.000 1.198 347 H CA 1.380 57.416 56.048 -0.020 0.000 1.145 347 H CB -1.465 28.289 29.762 -0.013 0.000 1.385 347 H HN 0.666 nan 8.280 nan 0.000 0.409 348 R N 0.083 120.604 120.500 0.034 0.000 2.686 348 R HA 0.421 4.761 4.340 -0.000 0.000 0.283 348 R C -0.364 175.932 176.300 -0.007 0.000 0.978 348 R CA -1.267 54.843 56.100 0.018 0.000 0.897 348 R CB 2.166 32.467 30.300 0.002 0.000 1.192 348 R HN -0.059 nan 8.270 nan 0.000 0.457 349 L N 4.276 125.505 121.223 0.010 0.000 2.278 349 L HA 0.338 4.678 4.340 -0.000 0.000 0.287 349 L C -1.059 175.820 176.870 0.015 0.000 1.072 349 L CA 0.233 55.080 54.840 0.012 0.000 0.819 349 L CB 0.550 42.625 42.059 0.027 0.000 1.176 349 L HN 0.434 nan 8.230 nan 0.000 0.435 350 L N 5.550 126.776 121.223 0.005 0.000 2.313 350 L HA 0.549 4.889 4.340 -0.000 0.000 0.283 350 L C -0.033 176.918 176.870 0.135 0.000 1.013 350 L CA -0.782 54.085 54.840 0.046 0.000 0.816 350 L CB 1.599 43.608 42.059 -0.084 0.000 1.236 350 L HN 0.603 nan 8.230 nan 0.000 0.419 351 R N 2.275 122.879 120.500 0.173 0.000 2.312 351 R HA 0.478 4.818 4.340 -0.000 0.000 0.311 351 R C -0.963 175.474 176.300 0.229 0.000 1.004 351 R CA -0.513 55.686 56.100 0.165 0.000 0.902 351 R CB 1.502 31.874 30.300 0.120 0.000 1.073 351 R HN 0.413 nan 8.270 nan 0.000 0.457 352 V N 5.768 125.793 119.914 0.186 0.000 2.521 352 V HA -0.011 4.109 4.120 -0.000 0.000 0.286 352 V C 0.873 176.985 176.094 0.031 0.000 1.034 352 V CA 0.087 62.438 62.300 0.085 0.000 1.045 352 V CB 1.374 33.213 31.823 0.027 0.000 0.974 352 V HN 0.796 nan 8.190 nan 0.000 0.480 353 V N 3.566 123.464 119.914 -0.027 0.000 3.085 353 V HA 0.248 4.368 4.120 -0.000 0.000 0.245 353 V C 0.557 176.683 176.094 0.053 0.000 1.114 353 V CA 0.849 63.192 62.300 0.072 0.000 1.108 353 V CB 0.304 32.232 31.823 0.175 0.000 0.798 353 V HN 1.005 nan 8.190 nan 0.000 0.471 354 E N -0.205 119.955 120.200 -0.066 0.000 2.745 354 E HA 0.219 4.569 4.350 -0.000 0.000 0.306 354 E C -1.578 174.934 176.600 -0.145 0.000 1.090 354 E CA -0.551 55.803 56.400 -0.078 0.000 0.893 354 E CB 1.095 30.767 29.700 -0.048 0.000 1.205 354 E HN 0.104 nan 8.360 nan 0.000 0.438 355 K N 4.017 124.357 120.400 -0.099 0.000 2.265 355 K HA 0.569 4.889 4.320 -0.000 0.000 0.267 355 K C -0.340 176.258 176.600 -0.002 0.000 0.994 355 K CA -0.663 55.607 56.287 -0.028 0.000 0.860 355 K CB 1.954 34.403 32.500 -0.085 0.000 1.099 355 K HN 0.411 nan 8.250 nan 0.000 0.448 356 R N 0.359 120.898 120.500 0.066 0.000 2.930 356 R HA 0.648 4.988 4.340 -0.000 0.000 0.257 356 R C 0.120 176.458 176.300 0.063 0.000 1.107 356 R CA -0.889 55.229 56.100 0.030 0.000 0.999 356 R CB 1.898 32.192 30.300 -0.010 0.000 1.209 356 R HN 0.762 nan 8.270 nan 0.000 0.486 357 G N -0.357 108.438 108.800 -0.007 0.000 3.100 357 G HA2 0.186 4.146 3.960 -0.000 0.000 0.174 357 G HA3 0.186 4.146 3.960 -0.000 0.000 0.174 357 G C -1.261 173.573 174.900 -0.109 0.000 1.136 357 G CA -0.563 44.528 45.100 -0.015 0.000 0.881 357 G HN 0.383 nan 8.290 nan 0.000 0.616 358 Q N 1.345 121.066 119.800 -0.132 0.000 2.299 358 Q HA 0.380 4.720 4.340 -0.000 0.000 0.246 358 Q C -2.087 173.839 176.000 -0.124 0.000 0.935 358 Q CA -1.347 54.332 55.803 -0.206 0.000 0.887 358 Q CB 1.438 30.029 28.738 -0.244 0.000 1.223 358 Q HN 0.339 nan 8.270 nan 0.000 0.439 359 P HA 0.010 nan 4.420 nan 0.000 0.278 359 P C 0.193 177.490 177.300 -0.005 0.000 1.266 359 P CA -0.447 62.647 63.100 -0.010 0.000 0.807 359 P CB 0.441 32.138 31.700 -0.004 0.000 1.094 360 F N 0.824 120.773 119.950 -0.001 0.000 2.184 360 F HA -0.234 4.293 4.527 -0.000 0.000 0.301 360 F C 1.307 177.099 175.800 -0.013 0.000 1.076 360 F CA 1.954 59.948 58.000 -0.010 0.000 1.295 360 F CB -1.350 37.638 39.000 -0.021 0.000 1.026 360 F HN 0.205 nan 8.300 nan 0.000 0.494 361 D N -0.896 118.734 120.400 -1.284 0.000 2.336 361 D HA -0.101 4.539 4.640 -0.000 0.000 0.229 361 D C -0.144 175.769 176.300 -0.645 0.000 1.061 361 D CA 0.391 53.800 54.000 -0.985 0.000 0.875 361 D CB -1.105 39.047 40.800 -1.081 0.000 0.904 361 D HN 0.547 nan 8.370 nan 0.000 0.525 362 H N 0.933 119.733 119.070 -0.449 0.000 2.471 362 H HA 0.292 4.848 4.556 -0.000 0.000 0.234 362 H C -2.254 172.954 175.328 -0.200 0.000 1.388 362 H CA -1.520 54.172 56.048 -0.594 0.000 1.198 362 H CB 0.755 30.148 29.762 -0.614 0.000 1.714 362 H HN 0.088 nan 8.280 nan 0.000 0.536 363 P HA -0.103 nan 4.420 nan 0.000 0.263 363 P C -0.130 177.248 177.300 0.131 0.000 1.168 363 P CA 0.383 63.533 63.100 0.084 0.000 0.759 363 P CB 1.521 33.255 31.700 0.058 0.000 0.782 364 V N 5.084 125.026 119.914 0.047 0.000 2.459 364 V HA 0.306 4.426 4.120 -0.000 0.000 0.295 364 V C 0.530 176.622 176.094 -0.004 0.000 1.029 364 V CA -0.729 61.585 62.300 0.024 0.000 0.874 364 V CB 1.528 33.323 31.823 -0.047 0.000 0.985 364 V HN 0.370 nan 8.190 nan 0.000 0.438 365 L N 4.921 126.141 121.223 -0.005 0.000 2.272 365 L HA 0.328 4.668 4.340 -0.000 0.000 0.289 365 L C 1.020 177.891 176.870 0.003 0.000 1.032 365 L CA -0.533 54.302 54.840 -0.009 0.000 0.810 365 L CB 1.498 43.539 42.059 -0.030 0.000 1.205 365 L HN 0.560 nan 8.230 nan 0.000 0.422 366 L N 4.002 125.222 121.223 -0.005 0.000 2.012 366 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 366 L C 1.804 178.682 176.870 0.013 0.000 1.073 366 L CA 2.074 56.912 54.840 -0.003 0.000 0.748 366 L CB -0.489 41.565 42.059 -0.009 0.000 0.891 366 L HN 0.685 nan 8.230 nan 0.000 0.431 367 N N -1.826 116.881 118.700 0.012 0.000 2.512 367 N HA -0.103 4.637 4.740 -0.000 0.000 0.183 367 N C 0.196 175.706 175.510 -0.000 0.000 1.073 367 N CA 0.831 53.891 53.050 0.017 0.000 0.911 367 N CB -0.351 38.141 38.487 0.008 0.000 0.964 367 N HN 0.554 nan 8.380 nan 0.000 0.447 368 H N -0.259 118.711 119.070 -0.167 0.000 2.418 368 H HA 0.257 4.813 4.556 -0.000 0.000 0.238 368 H C -1.941 173.275 175.328 -0.186 0.000 1.403 368 H CA -2.041 53.769 56.048 -0.396 0.000 1.419 368 H CB 1.022 30.421 29.762 -0.605 0.000 1.463 368 H HN -0.088 nan 8.280 nan 0.000 0.515 369 P HA -0.259 nan 4.420 nan 0.000 0.219 369 P C 0.957 178.354 177.300 0.162 0.000 1.158 369 P CA 1.434 64.595 63.100 0.101 0.000 0.895 369 P CB 0.368 32.126 31.700 0.098 0.000 0.792 370 E N -1.499 118.776 120.200 0.125 0.000 2.396 370 E HA -0.128 4.222 4.350 -0.000 0.000 0.200 370 E C 1.670 178.426 176.600 0.260 0.000 1.023 370 E CA 1.530 58.044 56.400 0.189 0.000 0.857 370 E CB -1.073 28.696 29.700 0.115 0.000 0.775 370 E HN 0.464 nan 8.360 nan 0.000 0.525 371 T N -2.589 112.100 114.554 0.225 0.000 3.088 371 T HA -0.065 4.285 4.350 -0.000 0.000 0.259 371 T C 0.533 175.424 174.700 0.319 0.000 1.122 371 T CA 0.164 62.383 62.100 0.199 0.000 1.095 371 T CB -0.138 68.742 68.868 0.020 0.000 0.930 371 T HN 0.084 nan 8.240 nan 0.000 0.508 372 H N 0.998 120.164 119.070 0.161 0.000 2.597 372 H HA 0.429 4.985 4.556 -0.000 0.000 0.303 372 H C -0.116 175.279 175.328 0.112 0.000 1.057 372 H CA -1.956 54.117 56.048 0.040 0.000 1.261 372 H CB 0.424 30.200 29.762 0.023 0.000 1.397 372 H HN 0.398 nan 8.280 nan 0.000 0.461 373 Y N 3.207 123.447 120.300 -0.100 0.000 2.438 373 Y HA 0.279 4.829 4.550 -0.000 0.000 0.274 373 Y C -0.943 174.742 175.900 -0.359 0.000 1.085 373 Y CA -0.721 57.214 58.100 -0.275 0.000 1.199 373 Y CB 0.143 38.453 38.460 -0.249 0.000 1.317 373 Y HN 0.388 nan 8.280 nan 0.000 0.545 374 L N 3.223 124.051 121.223 -0.659 0.000 2.275 374 L HA 0.535 4.875 4.340 -0.000 0.000 0.288 374 L C -1.000 175.691 176.870 -0.298 0.000 1.046 374 L CA -0.862 53.748 54.840 -0.384 0.000 0.805 374 L CB 1.097 42.921 42.059 -0.391 0.000 1.193 374 L HN 0.164 nan 8.230 nan 0.000 0.426 375 K N 5.551 125.736 120.400 -0.357 0.000 2.376 375 K HA 0.503 4.823 4.320 -0.000 0.000 0.257 375 K C -1.607 174.802 176.600 -0.318 0.000 0.939 375 K CA -0.307 55.753 56.287 -0.379 0.000 0.809 375 K CB 2.044 34.072 32.500 -0.786 0.000 1.121 375 K HN 0.430 nan 8.250 nan 0.000 0.425 376 F N 2.006 121.812 119.950 -0.240 0.000 2.562 376 F HA 0.632 5.159 4.527 -0.000 0.000 0.319 376 F C -1.367 174.397 175.800 -0.060 0.000 1.154 376 F CA -0.406 57.501 58.000 -0.155 0.000 0.931 376 F CB 1.428 40.358 39.000 -0.116 0.000 1.198 376 F HN 0.594 nan 8.300 nan 0.000 0.444 377 A N 5.026 127.630 122.820 -0.361 0.000 2.414 377 A HA 0.827 5.147 4.320 -0.000 0.000 0.306 377 A C -1.919 175.355 177.584 -0.518 0.000 1.054 377 A CA -0.708 51.166 52.037 -0.272 0.000 0.724 377 A CB 1.659 20.683 19.000 0.039 0.000 1.267 377 A HN 0.547 nan 8.150 nan 0.000 0.418 378 V N 2.147 121.741 119.914 -0.533 0.000 2.409 378 V HA 0.636 4.755 4.120 -0.000 0.000 0.291 378 V C -0.989 174.832 176.094 -0.455 0.000 1.020 378 V CA -0.238 61.871 62.300 -0.320 0.000 0.848 378 V CB 0.588 32.444 31.823 0.056 0.000 0.990 378 V HN 0.724 nan 8.190 nan 0.000 0.430 379 F N 1.881 121.838 119.950 0.012 0.000 2.593 379 F HA 0.645 5.172 4.527 -0.000 0.000 0.320 379 F C 0.094 175.913 175.800 0.031 0.000 1.060 379 F CA -0.758 57.261 58.000 0.032 0.000 0.940 379 F CB 1.962 40.964 39.000 0.002 0.000 1.268 379 F HN 0.360 nan 8.300 nan 0.000 0.475 380 Q N 1.415 121.369 119.800 0.257 0.000 2.331 380 Q HA 0.583 4.923 4.340 -0.000 0.000 0.267 380 Q C -1.697 174.384 176.000 0.136 0.000 1.006 380 Q CA -0.758 55.147 55.803 0.169 0.000 0.818 380 Q CB 2.128 30.960 28.738 0.157 0.000 1.276 380 Q HN 0.595 nan 8.270 nan 0.000 0.450 381 V N 5.989 125.959 119.914 0.094 0.000 2.368 381 V HA 0.243 4.363 4.120 -0.000 0.000 0.266 381 V C 0.415 176.544 176.094 0.058 0.000 1.045 381 V CA -0.303 62.032 62.300 0.059 0.000 0.899 381 V CB 0.285 32.127 31.823 0.033 0.000 1.006 381 V HN 0.742 nan 8.190 nan 0.000 0.470 382 L N 0.000 121.255 121.223 0.054 0.000 2.949 382 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 382 L CA 0.000 54.870 54.840 0.049 0.000 0.813 382 L CB 0.000 42.089 42.059 0.049 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502