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 2wov_1_B DATA FIRST_RESID 2 DATA SEQUENCE SKAFDLVVIG AGSGGLEAGW NAATLYGKRV AVVDVQTSHG PPFYAALGGT DATA SEQUENCE CVNVGCVPKK LMVTGAQYMD HLRESAGFGW EFDGSSVKAN WKKLIAAKNE DATA SEQUENCE AVLDINKSYE GMFNDTEGLD FFLGWGSLES KNVVVVRETA DPKSAVKERL DATA SEQUENCE QADHILLATG SWPQMPAIPG IEHCISSNEA FYLPEPPRRV LTVGGGFISV DATA SEQUENCE EFAGIFNAYK PPGGKVTLCY RNNLILRGFD ETIREEVTKQ LTANGIEIMT DATA SEQUENCE NENPAKVSLN TDGSKHVTFE SGKTLDVDVV MMAIGRIPRT NDLQLGNVGV DATA SEQUENCE KLTPKGGVQV DEFSRTNVPN IYAIGDITDR LMLTPVAINE GAALVDTVFG DATA SEQUENCE NKPRKTDHTR VASAVFSIPP IGTCGLIEEV AAKEFEKVAV YMSSFTPLMH DATA SEQUENCE NISGSKYKKF VAKIVTNHSD GTVLGVHLLG DGAPEIIQAV GVCLRLNAKI DATA SEQUENCE SDFYNTIGVH PTSAEELCSM RTPSYYYVKG EKMEKL 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.593 174.600 -0.012 0.000 1.055 2 S CA 0.000 58.190 58.200 -0.017 0.000 1.107 2 S CB 0.000 63.188 63.200 -0.019 0.000 0.593 3 K N 0.927 121.323 120.400 -0.006 0.000 2.557 3 K HA 0.694 5.013 4.320 -0.000 0.000 0.257 3 K C -1.323 175.245 176.600 -0.053 0.000 0.933 3 K CA -0.700 55.571 56.287 -0.028 0.000 0.820 3 K CB 2.043 34.597 32.500 0.090 0.000 1.330 3 K HN 0.725 nan 8.250 nan 0.000 0.432 4 A N 2.566 125.217 122.820 -0.281 0.000 2.324 4 A HA 0.907 5.227 4.320 -0.000 0.000 0.330 4 A C -1.307 175.964 177.584 -0.522 0.000 1.165 4 A CA -0.417 51.490 52.037 -0.217 0.000 0.813 4 A CB 0.299 19.216 19.000 -0.138 0.000 1.197 4 A HN 0.543 nan 8.150 nan 0.000 0.484 5 F N -0.119 119.847 119.950 0.027 0.000 2.631 5 F HA 0.316 4.843 4.527 -0.000 0.000 0.308 5 F C 0.621 176.463 175.800 0.070 0.000 1.097 5 F CA -0.657 57.374 58.000 0.052 0.000 0.952 5 F CB 2.135 41.177 39.000 0.070 0.000 1.307 5 F HN 0.648 nan 8.300 nan 0.000 0.450 6 D N 0.699 121.258 120.400 0.266 0.000 2.162 6 D HA 0.012 4.652 4.640 -0.000 0.000 0.203 6 D C -0.060 176.469 176.300 0.382 0.000 0.967 6 D CA 1.498 55.638 54.000 0.233 0.000 0.840 6 D CB 0.568 41.385 40.800 0.028 0.000 0.972 6 D HN 0.152 nan 8.370 nan 0.000 0.482 7 L N 0.775 122.194 121.223 0.327 0.000 2.438 7 L HA 0.327 4.667 4.340 -0.000 0.000 0.270 7 L C -1.342 175.654 176.870 0.211 0.000 0.972 7 L CA -0.635 54.415 54.840 0.351 0.000 0.831 7 L CB 2.395 44.671 42.059 0.361 0.000 1.273 7 L HN -0.363 nan 8.230 nan 0.000 0.405 8 V N 5.491 125.502 119.914 0.162 0.000 2.459 8 V HA 0.587 4.706 4.120 -0.000 0.000 0.295 8 V C -0.552 175.591 176.094 0.082 0.000 1.029 8 V CA -0.632 61.685 62.300 0.029 0.000 0.874 8 V CB 1.970 33.772 31.823 -0.035 0.000 0.985 8 V HN 0.516 nan 8.190 nan 0.000 0.438 9 V N 6.497 126.450 119.914 0.065 0.000 2.357 9 V HA 0.468 4.588 4.120 -0.000 0.000 0.284 9 V C -0.112 176.012 176.094 0.049 0.000 1.018 9 V CA -0.415 61.941 62.300 0.094 0.000 0.841 9 V CB 1.576 33.480 31.823 0.134 0.000 0.991 9 V HN 0.676 nan 8.190 nan 0.000 0.437 10 I N 4.648 125.240 120.570 0.037 0.000 2.291 10 I HA 0.683 4.853 4.170 -0.000 0.000 0.292 10 I C 0.803 176.929 176.117 0.014 0.000 1.064 10 I CA 0.020 61.322 61.300 0.003 0.000 1.269 10 I CB 0.905 38.899 38.000 -0.009 0.000 1.418 10 I HN 0.855 nan 8.210 nan 0.000 0.485 11 G N 4.512 113.315 108.800 0.005 0.000 3.353 11 G HA2 0.122 4.081 3.960 -0.000 0.000 0.682 11 G HA3 0.122 4.081 3.960 -0.000 0.000 0.682 11 G C -0.260 174.670 174.900 0.050 0.000 1.192 11 G CA -0.455 44.652 45.100 0.012 0.000 1.111 11 G HN 0.909 nan 8.290 nan 0.000 0.493 12 A N 1.650 124.504 122.820 0.057 0.000 3.117 12 A HA 0.728 5.048 4.320 -0.000 0.000 0.255 12 A C 1.373 178.943 177.584 -0.023 0.000 1.583 12 A CA 1.189 53.265 52.037 0.066 0.000 1.234 12 A CB -0.337 18.728 19.000 0.108 0.000 1.076 12 A HN 1.958 nan 8.150 nan 0.000 0.653 13 G N -0.912 107.885 108.800 -0.004 0.000 2.828 13 G HA2 0.396 4.356 3.960 -0.000 0.000 0.244 13 G HA3 0.396 4.356 3.960 -0.000 0.000 0.244 13 G C 1.038 175.924 174.900 -0.024 0.000 1.365 13 G CA 0.427 45.514 45.100 -0.021 0.000 1.041 13 G HN 0.248 nan 8.290 nan 0.000 0.560 14 S N -0.399 115.299 115.700 -0.003 0.000 2.359 14 S HA -0.115 4.355 4.470 -0.000 0.000 0.224 14 S C 2.423 177.039 174.600 0.026 0.000 1.035 14 S CA 1.786 59.990 58.200 0.008 0.000 1.018 14 S CB -0.607 62.607 63.200 0.023 0.000 0.876 14 S HN 0.763 nan 8.310 nan 0.000 0.448 15 G N 1.008 109.833 108.800 0.043 0.000 2.394 15 G HA2 0.060 4.020 3.960 -0.000 0.000 0.214 15 G HA3 0.060 4.020 3.960 -0.000 0.000 0.214 15 G C 1.484 176.430 174.900 0.078 0.000 1.176 15 G CA 0.789 45.926 45.100 0.062 0.000 0.786 15 G HN 0.553 nan 8.290 nan 0.000 0.533 16 G N 1.140 109.986 108.800 0.076 0.000 2.491 16 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 16 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 16 G C 1.827 176.796 174.900 0.115 0.000 1.180 16 G CA 0.938 46.097 45.100 0.098 0.000 0.774 16 G HN 0.397 nan 8.290 nan 0.000 0.562 17 L N 0.043 121.313 121.223 0.079 0.000 2.046 17 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 17 L C 2.825 179.760 176.870 0.108 0.000 1.077 17 L CA 1.601 56.485 54.840 0.074 0.000 0.747 17 L CB -0.373 41.664 42.059 -0.037 0.000 0.896 17 L HN 0.308 nan 8.230 nan 0.000 0.432 18 E N 0.454 120.708 120.200 0.089 0.000 2.058 18 E HA -0.226 4.123 4.350 -0.000 0.000 0.194 18 E C 2.104 178.824 176.600 0.200 0.000 0.997 18 E CA 1.654 58.126 56.400 0.119 0.000 0.801 18 E CB -0.116 29.634 29.700 0.084 0.000 0.746 18 E HN 0.376 nan 8.360 nan 0.000 0.450 19 A N 0.183 123.107 122.820 0.173 0.000 1.877 19 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 19 A C 2.484 180.204 177.584 0.226 0.000 1.186 19 A CA 1.897 54.050 52.037 0.193 0.000 0.620 19 A CB -1.410 17.688 19.000 0.164 0.000 0.822 19 A HN 0.431 nan 8.150 nan 0.000 0.443 20 G N -1.073 107.858 108.800 0.218 0.000 2.433 20 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 20 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 20 G C 1.516 176.541 174.900 0.209 0.000 1.186 20 G CA 1.032 46.260 45.100 0.213 0.000 0.779 20 G HN 0.684 nan 8.290 nan 0.000 0.543 21 W N 2.125 123.440 121.300 0.025 0.000 2.332 21 W HA -0.162 4.498 4.660 -0.000 0.000 0.321 21 W C 2.015 178.546 176.519 0.020 0.000 1.219 21 W CA 1.645 58.981 57.345 -0.014 0.000 1.277 21 W CB -0.831 28.600 29.460 -0.048 0.000 1.161 21 W HN 0.205 nan 8.180 nan 0.000 0.476 22 N N 1.054 119.933 118.700 0.298 0.000 2.132 22 N HA -0.209 4.531 4.740 -0.000 0.000 0.191 22 N C 1.950 177.528 175.510 0.112 0.000 1.015 22 N CA 2.993 56.137 53.050 0.156 0.000 0.864 22 N CB -1.075 37.571 38.487 0.264 0.000 1.006 22 N HN 0.277 nan 8.380 nan 0.000 0.430 23 A N 0.276 123.201 122.820 0.175 0.000 1.873 23 A HA 0.131 4.450 4.320 -0.000 0.000 0.215 23 A C 2.299 179.876 177.584 -0.010 0.000 1.186 23 A CA 1.776 53.913 52.037 0.166 0.000 0.616 23 A CB -0.979 18.110 19.000 0.149 0.000 0.823 23 A HN 0.318 nan 8.150 nan 0.000 0.442 24 A N -0.521 122.256 122.820 -0.071 0.000 1.841 24 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 24 A C 2.449 179.884 177.584 -0.249 0.000 1.195 24 A CA 2.638 54.592 52.037 -0.139 0.000 0.611 24 A CB -1.233 17.693 19.000 -0.123 0.000 0.835 24 A HN 0.814 nan 8.150 nan 0.000 0.443 25 T N -2.986 111.299 114.554 -0.448 0.000 3.065 25 T HA 0.293 4.643 4.350 -0.000 0.000 0.252 25 T C 1.471 175.911 174.700 -0.433 0.000 1.099 25 T CA 0.835 62.595 62.100 -0.567 0.000 1.063 25 T CB -0.140 68.068 68.868 -1.099 0.000 0.948 25 T HN 0.262 nan 8.240 nan 0.000 0.506 26 L N -1.765 119.214 121.223 -0.407 0.000 2.500 26 L HA 0.367 4.707 4.340 -0.000 0.000 0.219 26 L C 1.395 177.898 176.870 -0.612 0.000 1.057 26 L CA 0.343 54.867 54.840 -0.527 0.000 0.854 26 L CB 0.053 41.709 42.059 -0.672 0.000 1.078 26 L HN 0.179 nan 8.230 nan 0.000 0.480 27 Y N -0.129 120.109 120.300 -0.102 0.000 2.481 27 Y HA 0.366 4.915 4.550 -0.000 0.000 0.247 27 Y C 1.771 177.594 175.900 -0.129 0.000 1.151 27 Y CA 0.099 58.148 58.100 -0.087 0.000 1.238 27 Y CB 0.493 38.924 38.460 -0.048 0.000 1.179 27 Y HN 0.188 nan 8.280 nan 0.000 0.524 28 G N 0.302 109.068 108.800 -0.057 0.000 2.189 28 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.267 28 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.267 28 G C 0.475 175.327 174.900 -0.080 0.000 0.975 28 G CA 0.127 45.182 45.100 -0.075 0.000 0.644 28 G HN 0.077 nan 8.290 nan 0.000 0.537 29 K N 0.069 120.394 120.400 -0.125 0.000 2.344 29 K HA 0.224 4.543 4.320 -0.000 0.000 0.260 29 K C 0.794 177.353 176.600 -0.069 0.000 0.988 29 K CA -0.291 55.887 56.287 -0.182 0.000 0.909 29 K CB 0.350 32.564 32.500 -0.476 0.000 0.968 29 K HN 0.342 nan 8.250 nan 0.000 0.505 30 R N 1.365 121.862 120.500 -0.005 0.000 2.198 30 R HA 0.263 4.602 4.340 -0.000 0.000 0.339 30 R C -0.950 175.539 176.300 0.314 0.000 1.020 30 R CA -0.391 55.792 56.100 0.138 0.000 0.864 30 R CB 0.486 30.833 30.300 0.077 0.000 1.105 30 R HN 0.217 nan 8.270 nan 0.000 0.463 31 V N 2.761 122.872 119.914 0.329 0.000 2.495 31 V HA 0.595 4.715 4.120 -0.000 0.000 0.298 31 V C -0.153 176.024 176.094 0.138 0.000 1.031 31 V CA -1.032 61.416 62.300 0.247 0.000 0.871 31 V CB 1.718 33.639 31.823 0.162 0.000 0.988 31 V HN 0.819 nan 8.190 nan 0.000 0.432 32 A N 4.078 126.745 122.820 -0.254 0.000 2.318 32 A HA 0.876 5.196 4.320 -0.000 0.000 0.324 32 A C -0.777 176.785 177.584 -0.036 0.000 1.170 32 A CA -0.560 51.268 52.037 -0.347 0.000 0.810 32 A CB 1.460 19.799 19.000 -1.101 0.000 1.198 32 A HN 0.725 nan 8.150 nan 0.000 0.484 33 V N 3.034 123.019 119.914 0.117 0.000 2.448 33 V HA 0.441 4.561 4.120 -0.000 0.000 0.295 33 V C -0.296 175.820 176.094 0.037 0.000 1.025 33 V CA -0.565 61.826 62.300 0.152 0.000 0.859 33 V CB 1.568 33.608 31.823 0.361 0.000 0.988 33 V HN 0.644 nan 8.190 nan 0.000 0.431 34 V N 3.962 123.861 119.914 -0.025 0.000 2.435 34 V HA 0.592 4.712 4.120 -0.000 0.000 0.290 34 V C -0.387 175.644 176.094 -0.104 0.000 1.030 34 V CA -0.259 61.947 62.300 -0.158 0.000 0.881 34 V CB 1.625 33.360 31.823 -0.146 0.000 0.983 34 V HN 0.932 nan 8.190 nan 0.000 0.445 35 D N 1.794 122.106 120.400 -0.146 0.000 2.661 35 D HA 0.302 4.941 4.640 -0.000 0.000 0.228 35 D C 0.507 176.690 176.300 -0.196 0.000 1.210 35 D CA -0.381 53.580 54.000 -0.066 0.000 0.826 35 D CB 2.997 43.895 40.800 0.164 0.000 1.542 35 D HN 0.357 nan 8.370 nan 0.000 0.447 36 V N -0.127 119.552 119.914 -0.391 0.000 3.217 36 V HA 0.190 4.310 4.120 -0.000 0.000 0.264 36 V C 0.529 176.548 176.094 -0.125 0.000 1.135 36 V CA 0.893 62.813 62.300 -0.633 0.000 1.142 36 V CB -0.291 30.722 31.823 -1.350 0.000 0.754 36 V HN 0.496 nan 8.190 nan 0.000 0.484 37 Q N -0.583 119.231 119.800 0.023 0.000 2.545 37 Q HA 0.304 4.644 4.340 -0.000 0.000 0.273 37 Q C 0.437 176.475 176.000 0.063 0.000 0.975 37 Q CA 0.386 56.248 55.803 0.098 0.000 0.876 37 Q CB 1.988 30.809 28.738 0.138 0.000 1.472 37 Q HN 0.382 nan 8.270 nan 0.000 0.389 38 T N -2.033 112.534 114.554 0.022 0.000 3.051 38 T HA 0.216 4.566 4.350 -0.000 0.000 0.255 38 T C 0.676 175.340 174.700 -0.060 0.000 1.085 38 T CA 0.854 62.914 62.100 -0.067 0.000 1.109 38 T CB 0.098 68.919 68.868 -0.078 0.000 0.921 38 T HN 0.489 nan 8.240 nan 0.000 0.488 39 S N 0.781 116.455 115.700 -0.043 0.000 2.685 39 S HA 0.557 5.027 4.470 -0.000 0.000 0.282 39 S C -0.588 173.976 174.600 -0.061 0.000 1.159 39 S CA -1.048 57.131 58.200 -0.034 0.000 0.833 39 S CB 0.936 64.093 63.200 -0.073 0.000 1.151 39 S HN 0.707 nan 8.310 nan 0.000 0.485 40 H N -0.630 118.454 119.070 0.022 0.000 2.679 40 H HA 0.729 5.285 4.556 -0.000 0.000 0.369 40 H C 0.732 176.048 175.328 -0.021 0.000 1.178 40 H CA 0.236 56.317 56.048 0.056 0.000 1.419 40 H CB -0.103 29.734 29.762 0.125 0.000 1.458 40 H HN 1.624 nan 8.280 nan 0.000 0.605 41 G N 0.296 109.105 108.800 0.015 0.000 2.541 41 G HA2 -0.085 3.874 3.960 -0.000 0.000 0.686 41 G HA3 -0.085 3.874 3.960 -0.000 0.000 0.686 41 G C -3.015 171.419 174.900 -0.776 0.000 1.286 41 G CA -0.799 44.005 45.100 -0.493 0.000 0.894 41 G HN 0.803 nan 8.290 nan 0.000 0.575 42 P HA 0.176 nan 4.420 nan 0.000 0.267 42 P C -1.918 174.946 177.300 -0.727 0.000 1.201 42 P CA -0.384 61.999 63.100 -1.195 0.000 0.775 42 P CB 0.790 32.087 31.700 -0.672 0.000 0.854 43 P HA 0.159 nan 4.420 nan 0.000 0.259 43 P C 0.458 177.406 177.300 -0.586 0.000 1.233 43 P CA 0.603 63.251 63.100 -0.753 0.000 0.827 43 P CB 0.210 31.479 31.700 -0.719 0.000 1.154 44 F N -2.241 117.628 119.950 -0.135 0.000 2.695 44 F HA 0.263 4.789 4.527 -0.000 0.000 0.303 44 F C 1.231 177.198 175.800 0.277 0.000 1.091 44 F CA -0.894 57.201 58.000 0.158 0.000 1.300 44 F CB -0.890 38.197 39.000 0.146 0.000 1.071 44 F HN -0.278 nan 8.300 nan 0.000 0.578 45 Y N -0.816 119.631 120.300 0.245 0.000 2.730 45 Y HA -0.420 4.129 4.550 -0.000 0.000 0.479 45 Y C 1.743 177.770 175.900 0.211 0.000 1.088 45 Y CA 0.332 58.554 58.100 0.203 0.000 2.941 45 Y CB -1.962 36.641 38.460 0.239 0.000 1.051 45 Y HN 0.053 nan 8.280 nan 0.000 0.592 46 A N 1.886 124.967 122.820 0.435 0.000 2.466 46 A HA 0.633 4.953 4.320 -0.000 0.000 0.238 46 A C 0.569 178.265 177.584 0.186 0.000 1.074 46 A CA 0.763 52.966 52.037 0.276 0.000 0.774 46 A CB 0.119 19.297 19.000 0.298 0.000 1.015 46 A HN 1.436 nan 8.150 nan 0.000 0.498 47 A N 0.399 123.282 122.820 0.106 0.000 2.791 47 A HA 0.602 4.921 4.320 -0.000 0.000 0.309 47 A C -0.678 176.901 177.584 -0.009 0.000 1.200 47 A CA -0.655 51.411 52.037 0.049 0.000 0.635 47 A CB -0.202 18.828 19.000 0.050 0.000 1.393 47 A HN 1.680 nan 8.150 nan 0.000 0.557 48 L N 1.025 122.210 121.223 -0.063 0.000 2.667 48 L HA 0.361 4.700 4.340 -0.000 0.000 0.278 48 L C 1.366 178.120 176.870 -0.193 0.000 1.217 48 L CA 2.785 57.523 54.840 -0.170 0.000 0.935 48 L CB -0.173 41.720 42.059 -0.277 0.000 1.193 48 L HN 2.018 nan 8.230 nan 0.000 0.493 49 G N 1.822 110.405 108.800 -0.363 0.000 2.259 49 G HA2 0.114 4.074 3.960 -0.000 0.000 0.217 49 G HA3 0.114 4.074 3.960 -0.000 0.000 0.217 49 G C 1.059 175.872 174.900 -0.145 0.000 1.001 49 G CA 0.126 44.993 45.100 -0.387 0.000 0.627 49 G HN 2.006 nan 8.290 nan 0.000 0.501 50 G N -1.418 107.341 108.800 -0.067 0.000 2.660 50 G HA2 0.122 4.082 3.960 -0.000 0.000 0.215 50 G HA3 0.122 4.082 3.960 -0.000 0.000 0.215 50 G C 0.771 175.693 174.900 0.038 0.000 1.345 50 G CA 0.803 45.903 45.100 0.000 0.000 0.877 50 G HN 1.255 nan 8.290 nan 0.000 0.549 51 T N -0.371 114.221 114.554 0.063 0.000 2.674 51 T HA -0.195 4.154 4.350 -0.000 0.000 0.265 51 T C 2.531 177.243 174.700 0.020 0.000 1.039 51 T CA 2.620 64.761 62.100 0.068 0.000 1.150 51 T CB -0.777 68.148 68.868 0.094 0.000 0.864 51 T HN 1.217 nan 8.240 nan 0.000 0.427 52 C N 1.164 120.477 119.300 0.022 0.000 2.269 52 C HA -0.198 4.262 4.460 -0.000 0.000 0.264 52 C C 2.738 177.713 174.990 -0.025 0.000 1.112 52 C CA 1.539 60.562 59.018 0.008 0.000 1.805 52 C CB -1.263 26.487 27.740 0.017 0.000 1.958 52 C HN 0.415 nan 8.230 nan 0.000 0.418 53 V N 1.449 121.357 119.914 -0.010 0.000 2.379 53 V HA -0.132 3.988 4.120 -0.000 0.000 0.245 53 V C 2.317 178.371 176.094 -0.067 0.000 1.044 53 V CA 2.385 64.679 62.300 -0.009 0.000 1.036 53 V CB -0.685 31.181 31.823 0.070 0.000 0.664 53 V HN 0.581 nan 8.190 nan 0.000 0.453 54 N N 0.523 119.195 118.700 -0.047 0.000 2.220 54 N HA -0.026 4.714 4.740 -0.000 0.000 0.182 54 N C 0.975 176.349 175.510 -0.226 0.000 1.023 54 N CA 1.892 54.920 53.050 -0.036 0.000 0.856 54 N CB 0.485 39.027 38.487 0.093 0.000 0.997 54 N HN 0.531 nan 8.380 nan 0.000 0.429 55 V N -3.237 116.505 119.914 -0.286 0.000 3.028 55 V HA 0.727 4.847 4.120 -0.000 0.000 0.418 55 V C 0.180 176.090 176.094 -0.306 0.000 1.433 55 V CA -0.342 61.574 62.300 -0.641 0.000 1.543 55 V CB 0.594 32.357 31.823 -0.100 0.000 1.329 55 V HN 0.218 nan 8.190 nan 0.000 0.646 56 G N -0.474 108.193 108.800 -0.222 0.000 3.008 56 G HA2 0.289 4.249 3.960 -0.000 0.000 0.148 56 G HA3 0.289 4.249 3.960 -0.000 0.000 0.148 56 G C 0.752 175.682 174.900 0.050 0.000 1.184 56 G CA 0.607 45.746 45.100 0.066 0.000 1.087 56 G HN 0.270 nan 8.290 nan 0.000 0.602 57 C N -0.039 119.282 119.300 0.034 0.000 2.303 57 C HA -0.123 4.337 4.460 -0.000 0.000 0.273 57 C C 2.833 177.778 174.990 -0.076 0.000 1.154 57 C CA 1.237 60.253 59.018 -0.004 0.000 1.784 57 C CB -1.603 26.136 27.740 -0.000 0.000 1.993 57 C HN 0.340 nan 8.230 nan 0.000 0.430 58 V N 3.088 122.952 119.914 -0.083 0.000 2.214 58 V HA -0.189 3.931 4.120 -0.000 0.000 0.247 58 V C 0.228 176.248 176.094 -0.123 0.000 1.051 58 V CA 3.012 65.246 62.300 -0.110 0.000 1.003 58 V CB -2.071 29.698 31.823 -0.091 0.000 0.635 58 V HN 0.434 nan 8.190 nan 0.000 0.447 59 P HA -0.191 nan 4.420 nan 0.000 0.218 59 P C 1.417 178.751 177.300 0.057 0.000 1.149 59 P CA 1.920 64.957 63.100 -0.106 0.000 0.817 59 P CB -0.092 31.434 31.700 -0.290 0.000 0.785 60 K N 0.602 121.084 120.400 0.137 0.000 2.155 60 K HA -0.105 4.215 4.320 -0.000 0.000 0.203 60 K C 2.146 178.653 176.600 -0.155 0.000 1.052 60 K CA 1.380 57.691 56.287 0.040 0.000 0.948 60 K CB -0.650 31.901 32.500 0.085 0.000 0.728 60 K HN -0.149 nan 8.250 nan 0.000 0.448 61 K N 1.186 121.459 120.400 -0.211 0.000 2.148 61 K HA 0.057 4.377 4.320 -0.000 0.000 0.204 61 K C 1.793 178.263 176.600 -0.217 0.000 1.050 61 K CA 1.227 57.311 56.287 -0.339 0.000 0.942 61 K CB -0.272 31.935 32.500 -0.489 0.000 0.724 61 K HN 0.295 nan 8.250 nan 0.000 0.446 62 L N -0.159 120.969 121.223 -0.159 0.000 2.027 62 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 62 L C 2.517 179.324 176.870 -0.106 0.000 1.074 62 L CA 1.561 56.331 54.840 -0.117 0.000 0.745 62 L CB -0.402 41.590 42.059 -0.111 0.000 0.898 62 L HN 0.250 nan 8.230 nan 0.000 0.433 63 M N -0.937 118.576 119.600 -0.145 0.000 2.080 63 M HA -0.206 4.274 4.480 -0.000 0.000 0.260 63 M C 2.310 178.543 176.300 -0.112 0.000 1.068 63 M CA 1.479 56.670 55.300 -0.182 0.000 1.109 63 M CB -0.435 31.997 32.600 -0.279 0.000 1.342 63 M HN 0.039 nan 8.290 nan 0.000 0.405 64 V N 0.005 119.826 119.914 -0.154 0.000 2.332 64 V HA -0.280 3.839 4.120 -0.000 0.000 0.248 64 V C 2.324 178.377 176.094 -0.069 0.000 1.055 64 V CA 2.314 64.549 62.300 -0.109 0.000 1.038 64 V CB -0.968 30.790 31.823 -0.109 0.000 0.651 64 V HN 0.525 nan 8.190 nan 0.000 0.450 65 T N 0.208 114.711 114.554 -0.085 0.000 2.720 65 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 65 T C 1.859 176.522 174.700 -0.061 0.000 1.037 65 T CA 1.678 63.716 62.100 -0.102 0.000 1.144 65 T CB -0.678 68.147 68.868 -0.071 0.000 0.864 65 T HN 0.644 nan 8.240 nan 0.000 0.444 66 G N 0.886 109.764 108.800 0.129 0.000 2.418 66 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.217 66 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.217 66 G C 1.824 176.960 174.900 0.394 0.000 1.158 66 G CA 0.901 46.244 45.100 0.404 0.000 0.771 66 G HN 0.586 nan 8.290 nan 0.000 0.545 67 A N 0.398 123.396 122.820 0.296 0.000 1.933 67 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 67 A C 2.293 179.852 177.584 -0.040 0.000 1.175 67 A CA 1.927 54.056 52.037 0.153 0.000 0.628 67 A CB -0.470 18.603 19.000 0.121 0.000 0.814 67 A HN 0.439 nan 8.150 nan 0.000 0.444 68 Q N -1.534 118.172 119.800 -0.156 0.000 2.152 68 Q HA -0.244 4.095 4.340 -0.000 0.000 0.206 68 Q C 1.707 177.450 176.000 -0.428 0.000 0.985 68 Q CA 1.917 57.510 55.803 -0.350 0.000 0.863 68 Q CB -0.408 28.060 28.738 -0.450 0.000 0.904 68 Q HN 0.847 nan 8.270 nan 0.000 0.422 69 Y N 0.025 120.258 120.300 -0.111 0.000 2.384 69 Y HA -0.255 4.294 4.550 -0.000 0.000 0.289 69 Y C 2.170 178.030 175.900 -0.068 0.000 1.152 69 Y CA 1.298 59.368 58.100 -0.051 0.000 1.258 69 Y CB -0.453 38.000 38.460 -0.012 0.000 0.979 69 Y HN 0.240 nan 8.280 nan 0.000 0.549 70 M N 0.039 119.651 119.600 0.020 0.000 2.117 70 M HA -0.239 4.240 4.480 -0.000 0.000 0.262 70 M C 1.125 177.442 176.300 0.028 0.000 1.065 70 M CA 2.176 57.478 55.300 0.004 0.000 1.114 70 M CB -0.036 32.536 32.600 -0.045 0.000 1.361 70 M HN 0.063 nan 8.290 nan 0.000 0.408 71 D N -0.550 119.825 120.400 -0.042 0.000 2.103 71 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 71 D C 1.723 178.059 176.300 0.059 0.000 0.978 71 D CA 1.593 55.578 54.000 -0.025 0.000 0.829 71 D CB -0.638 40.095 40.800 -0.112 0.000 0.981 71 D HN 0.593 nan 8.370 nan 0.000 0.464 72 H N 0.047 119.160 119.070 0.071 0.000 2.352 72 H HA -0.021 4.534 4.556 -0.000 0.000 0.299 72 H C 2.171 177.567 175.328 0.115 0.000 1.097 72 H CA 0.561 56.653 56.048 0.074 0.000 1.311 72 H CB 0.016 29.809 29.762 0.051 0.000 1.377 72 H HN 0.048 nan 8.280 nan 0.000 0.504 73 L N 0.246 121.624 121.223 0.258 0.000 2.012 73 L HA -0.220 4.119 4.340 -0.000 0.000 0.210 73 L C 2.746 179.848 176.870 0.386 0.000 1.073 73 L CA 1.489 56.497 54.840 0.280 0.000 0.748 73 L CB -0.362 41.836 42.059 0.232 0.000 0.891 73 L HN 0.269 nan 8.230 nan 0.000 0.431 74 R N 0.511 121.168 120.500 0.262 0.000 2.075 74 R HA -0.184 4.156 4.340 -0.000 0.000 0.232 74 R C 2.044 178.481 176.300 0.228 0.000 1.126 74 R CA 1.633 57.858 56.100 0.209 0.000 0.963 74 R CB -0.106 30.282 30.300 0.146 0.000 0.858 74 R HN 0.363 nan 8.270 nan 0.000 0.435 75 E N 0.243 120.593 120.200 0.250 0.000 2.204 75 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 75 E C 1.883 178.716 176.600 0.388 0.000 0.989 75 E CA 1.327 57.906 56.400 0.299 0.000 0.824 75 E CB 0.106 29.996 29.700 0.316 0.000 0.756 75 E HN 0.508 nan 8.360 nan 0.000 0.477 76 S N 0.716 116.628 115.700 0.353 0.000 2.440 76 S HA -0.151 4.318 4.470 -0.000 0.000 0.238 76 S C 2.136 177.089 174.600 0.588 0.000 1.010 76 S CA 0.822 59.272 58.200 0.418 0.000 0.972 76 S CB -0.154 63.179 63.200 0.221 0.000 0.774 76 S HN 0.289 nan 8.310 nan 0.000 0.501 77 A N 2.108 125.174 122.820 0.410 0.000 1.902 77 A HA 0.206 4.526 4.320 -0.000 0.000 0.217 77 A C 2.425 180.143 177.584 0.223 0.000 1.181 77 A CA 1.440 53.647 52.037 0.283 0.000 0.623 77 A CB -1.758 17.319 19.000 0.129 0.000 0.818 77 A HN 0.664 nan 8.150 nan 0.000 0.443 78 G N -1.894 107.020 108.800 0.189 0.000 2.479 78 G HA2 -0.112 3.847 3.960 -0.000 0.000 0.220 78 G HA3 -0.112 3.847 3.960 -0.000 0.000 0.220 78 G C 0.885 175.683 174.900 -0.170 0.000 1.115 78 G CA 0.885 45.969 45.100 -0.027 0.000 0.757 78 G HN 0.475 nan 8.290 nan 0.000 0.560 79 F N -0.156 119.897 119.950 0.172 0.000 2.668 79 F HA 0.416 4.942 4.527 -0.000 0.000 0.301 79 F C 1.719 177.567 175.800 0.081 0.000 1.106 79 F CA 0.245 58.339 58.000 0.158 0.000 1.289 79 F CB 1.024 40.181 39.000 0.262 0.000 1.006 79 F HN 0.199 nan 8.300 nan 0.000 0.535 80 G N -1.060 107.842 108.800 0.170 0.000 2.195 80 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.224 80 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.224 80 G C -0.154 174.664 174.900 -0.136 0.000 0.990 80 G CA -0.785 44.291 45.100 -0.040 0.000 0.639 80 G HN 0.212 nan 8.290 nan 0.000 0.514 81 W N 2.141 123.546 121.300 0.174 0.000 2.381 81 W HA 0.574 5.233 4.660 -0.000 0.000 0.321 81 W C 0.645 177.283 176.519 0.198 0.000 1.407 81 W CA -0.149 57.323 57.345 0.211 0.000 1.274 81 W CB 0.406 30.029 29.460 0.272 0.000 1.310 81 W HN 0.182 nan 8.180 nan 0.000 0.551 82 E N 3.717 124.116 120.200 0.330 0.000 2.199 82 E HA 0.644 4.994 4.350 -0.000 0.000 0.269 82 E C -0.756 176.063 176.600 0.365 0.000 0.899 82 E CA -0.927 55.583 56.400 0.182 0.000 0.772 82 E CB 1.592 31.337 29.700 0.074 0.000 1.155 82 E HN 0.297 nan 8.360 nan 0.000 0.408 83 F N -1.285 118.736 119.950 0.119 0.000 2.817 83 F HA 0.353 4.879 4.527 -0.000 0.000 0.317 83 F C -1.220 174.621 175.800 0.070 0.000 1.168 83 F CA -1.549 56.508 58.000 0.095 0.000 0.911 83 F CB 0.650 39.712 39.000 0.104 0.000 1.337 83 F HN 0.151 nan 8.300 nan 0.000 0.464 84 D N 0.784 121.293 120.400 0.181 0.000 2.422 84 D HA 0.334 4.974 4.640 -0.000 0.000 0.227 84 D C 1.241 177.584 176.300 0.072 0.000 1.190 84 D CA 0.353 54.389 54.000 0.060 0.000 0.905 84 D CB 1.101 41.955 40.800 0.091 0.000 1.034 84 D HN 0.882 nan 8.370 nan 0.000 0.507 85 G N 2.151 110.886 108.800 -0.107 0.000 2.498 85 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 85 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 85 G C 1.397 176.317 174.900 0.034 0.000 1.119 85 G CA 0.879 45.942 45.100 -0.061 0.000 0.766 85 G HN 0.530 nan 8.290 nan 0.000 0.552 86 S N 0.619 116.335 115.700 0.027 0.000 2.527 86 S HA -0.026 4.444 4.470 -0.000 0.000 0.222 86 S C 2.245 176.880 174.600 0.059 0.000 0.985 86 S CA 1.166 59.388 58.200 0.037 0.000 0.921 86 S CB -0.207 63.007 63.200 0.023 0.000 0.772 86 S HN 0.450 nan 8.310 nan 0.000 0.529 87 S N 0.594 116.346 115.700 0.086 0.000 2.562 87 S HA 0.197 4.667 4.470 -0.000 0.000 0.221 87 S C 0.457 175.115 174.600 0.096 0.000 0.975 87 S CA -0.233 58.020 58.200 0.090 0.000 0.918 87 S CB -0.504 62.758 63.200 0.104 0.000 0.772 87 S HN 0.278 nan 8.310 nan 0.000 0.531 88 V N 2.839 122.823 119.914 0.117 0.000 2.415 88 V HA 0.309 4.429 4.120 -0.000 0.000 0.267 88 V C 0.147 176.283 176.094 0.070 0.000 1.042 88 V CA -0.031 62.336 62.300 0.112 0.000 1.000 88 V CB 0.416 32.339 31.823 0.167 0.000 1.015 88 V HN 0.401 nan 8.190 nan 0.000 0.478 89 K N 4.366 124.800 120.400 0.055 0.000 2.292 89 K HA 0.739 5.058 4.320 -0.000 0.000 0.257 89 K C -0.373 176.256 176.600 0.049 0.000 0.940 89 K CA -0.671 55.648 56.287 0.054 0.000 0.811 89 K CB 1.668 34.204 32.500 0.061 0.000 1.120 89 K HN 0.665 nan 8.250 nan 0.000 0.428 90 A N 4.206 127.057 122.820 0.052 0.000 2.294 90 A HA 0.191 4.510 4.320 -0.000 0.000 0.316 90 A C -0.495 177.246 177.584 0.261 0.000 1.359 90 A CA -0.602 51.469 52.037 0.057 0.000 0.956 90 A CB -0.004 18.924 19.000 -0.120 0.000 1.155 90 A HN 0.732 nan 8.150 nan 0.000 0.544 91 N N 3.382 122.257 118.700 0.291 0.000 2.602 91 N HA -0.011 4.729 4.740 -0.000 0.000 0.238 91 N C 0.844 176.584 175.510 0.383 0.000 1.084 91 N CA -0.540 52.685 53.050 0.293 0.000 0.952 91 N CB 0.195 38.781 38.487 0.166 0.000 1.244 91 N HN 0.890 nan 8.380 nan 0.000 0.512 92 W N 4.792 126.225 121.300 0.221 0.000 2.358 92 W HA -0.162 4.497 4.660 -0.000 0.000 0.303 92 W C 0.820 177.337 176.519 -0.002 0.000 1.208 92 W CA 1.138 58.510 57.345 0.046 0.000 1.274 92 W CB 0.227 29.735 29.460 0.080 0.000 1.138 92 W HN 0.469 nan 8.180 nan 0.000 0.515 93 K N 0.501 121.003 120.400 0.170 0.000 2.063 93 K HA -0.272 4.048 4.320 -0.000 0.000 0.208 93 K C 2.038 178.596 176.600 -0.069 0.000 1.048 93 K CA 2.242 58.547 56.287 0.031 0.000 0.928 93 K CB -0.379 32.193 32.500 0.120 0.000 0.713 93 K HN -0.060 nan 8.250 nan 0.000 0.442 94 K N 1.168 121.557 120.400 -0.019 0.000 2.032 94 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 94 K C 1.990 178.521 176.600 -0.116 0.000 1.048 94 K CA 1.087 57.351 56.287 -0.038 0.000 0.927 94 K CB -0.320 32.189 32.500 0.016 0.000 0.712 94 K HN 0.024 nan 8.250 nan 0.000 0.441 95 L N 0.867 121.982 121.223 -0.180 0.000 1.990 95 L HA -0.190 4.150 4.340 -0.000 0.000 0.213 95 L C 1.956 178.586 176.870 -0.399 0.000 1.072 95 L CA 1.700 56.357 54.840 -0.306 0.000 0.755 95 L CB -0.520 41.213 42.059 -0.544 0.000 0.889 95 L HN 0.268 nan 8.230 nan 0.000 0.432 96 I N 0.178 120.410 120.570 -0.563 0.000 2.163 96 I HA -0.281 3.889 4.170 -0.000 0.000 0.243 96 I C 2.715 178.680 176.117 -0.253 0.000 1.085 96 I CA 1.628 62.634 61.300 -0.491 0.000 1.347 96 I CB -2.099 35.573 38.000 -0.547 0.000 1.044 96 I HN 0.403 nan 8.210 nan 0.000 0.408 97 A N 0.730 123.449 122.820 -0.168 0.000 1.933 97 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 97 A C 2.557 180.092 177.584 -0.083 0.000 1.175 97 A CA 1.866 53.855 52.037 -0.079 0.000 0.628 97 A CB -0.672 18.304 19.000 -0.040 0.000 0.814 97 A HN 0.430 nan 8.150 nan 0.000 0.444 98 A N -0.238 122.517 122.820 -0.108 0.000 1.897 98 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 98 A C 2.170 179.682 177.584 -0.119 0.000 1.181 98 A CA 1.785 53.766 52.037 -0.094 0.000 0.620 98 A CB -0.410 18.538 19.000 -0.086 0.000 0.821 98 A HN 0.393 nan 8.150 nan 0.000 0.443 99 K N 0.277 120.576 120.400 -0.167 0.000 2.009 99 K HA -0.219 4.101 4.320 -0.000 0.000 0.210 99 K C 1.624 178.093 176.600 -0.217 0.000 1.049 99 K CA 1.952 58.122 56.287 -0.196 0.000 0.929 99 K CB -0.518 31.837 32.500 -0.241 0.000 0.714 99 K HN 0.409 nan 8.250 nan 0.000 0.440 100 N N 1.476 120.055 118.700 -0.201 0.000 2.094 100 N HA -0.213 4.526 4.740 -0.000 0.000 0.191 100 N C 1.765 177.218 175.510 -0.095 0.000 1.023 100 N CA 1.670 54.608 53.050 -0.187 0.000 0.857 100 N CB -0.374 38.143 38.487 0.049 0.000 1.013 100 N HN 0.423 nan 8.380 nan 0.000 0.426 101 E N 0.711 120.882 120.200 -0.049 0.000 2.051 101 E HA -0.053 4.297 4.350 -0.000 0.000 0.192 101 E C 1.816 178.389 176.600 -0.045 0.000 0.991 101 E CA 1.487 57.876 56.400 -0.019 0.000 0.799 101 E CB -0.317 29.368 29.700 -0.025 0.000 0.748 101 E HN 0.314 nan 8.360 nan 0.000 0.449 102 A N 0.180 122.950 122.820 -0.083 0.000 1.902 102 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 102 A C 2.490 180.018 177.584 -0.093 0.000 1.181 102 A CA 1.583 53.568 52.037 -0.086 0.000 0.623 102 A CB -0.711 18.231 19.000 -0.097 0.000 0.818 102 A HN 0.231 nan 8.150 nan 0.000 0.443 103 V N -0.450 119.373 119.914 -0.151 0.000 2.427 103 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 103 V C 2.458 178.550 176.094 -0.005 0.000 1.051 103 V CA 1.769 63.981 62.300 -0.148 0.000 1.048 103 V CB -0.665 30.954 31.823 -0.339 0.000 0.666 103 V HN 0.561 nan 8.190 nan 0.000 0.456 104 L N 0.517 121.772 121.223 0.053 0.000 2.042 104 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 104 L C 2.077 178.987 176.870 0.067 0.000 1.076 104 L CA 2.108 57.047 54.840 0.165 0.000 0.749 104 L CB -0.872 41.299 42.059 0.188 0.000 0.893 104 L HN 0.316 nan 8.230 nan 0.000 0.432 105 D N -0.478 119.932 120.400 0.016 0.000 2.149 105 D HA -0.208 4.432 4.640 -0.000 0.000 0.198 105 D C 2.288 178.565 176.300 -0.038 0.000 0.990 105 D CA 1.776 55.766 54.000 -0.018 0.000 0.839 105 D CB -0.174 40.602 40.800 -0.039 0.000 0.948 105 D HN 0.436 nan 8.370 nan 0.000 0.460 106 I N 0.863 121.414 120.570 -0.032 0.000 2.252 106 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 106 I C 1.998 178.150 176.117 0.058 0.000 1.102 106 I CA 0.661 61.927 61.300 -0.058 0.000 1.385 106 I CB -0.233 37.757 38.000 -0.017 0.000 1.064 106 I HN -0.038 nan 8.210 nan 0.000 0.414 107 N N 1.406 120.187 118.700 0.136 0.000 2.069 107 N HA -0.189 4.550 4.740 -0.000 0.000 0.191 107 N C 1.792 177.361 175.510 0.098 0.000 1.031 107 N CA 1.414 54.562 53.050 0.163 0.000 0.852 107 N CB -0.298 38.259 38.487 0.116 0.000 1.018 107 N HN 0.391 nan 8.380 nan 0.000 0.423 108 K N 0.737 121.163 120.400 0.043 0.000 2.032 108 K HA -0.080 4.240 4.320 -0.000 0.000 0.209 108 K C 2.236 178.834 176.600 -0.003 0.000 1.048 108 K CA 1.678 57.972 56.287 0.013 0.000 0.927 108 K CB -0.219 32.281 32.500 -0.000 0.000 0.712 108 K HN 0.236 nan 8.250 nan 0.000 0.441 109 S N -0.255 115.409 115.700 -0.060 0.000 2.481 109 S HA -0.097 4.372 4.470 -0.000 0.000 0.231 109 S C 1.759 176.279 174.600 -0.134 0.000 0.996 109 S CA 0.508 58.635 58.200 -0.122 0.000 0.942 109 S CB -0.276 62.805 63.200 -0.199 0.000 0.768 109 S HN 0.229 nan 8.310 nan 0.000 0.520 110 Y N 1.827 122.115 120.300 -0.021 0.000 2.337 110 Y HA 0.203 4.753 4.550 -0.000 0.000 0.293 110 Y C 2.566 178.542 175.900 0.126 0.000 1.123 110 Y CA 0.727 58.835 58.100 0.014 0.000 1.201 110 Y CB -0.474 37.994 38.460 0.013 0.000 1.011 110 Y HN 0.398 nan 8.280 nan 0.000 0.545 111 E N -0.462 119.856 120.200 0.197 0.000 2.017 111 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 111 E C 2.545 179.236 176.600 0.153 0.000 0.997 111 E CA 1.084 57.553 56.400 0.115 0.000 0.804 111 E CB -0.557 29.149 29.700 0.010 0.000 0.757 111 E HN 0.477 nan 8.360 nan 0.000 0.448 112 G N 1.836 110.685 108.800 0.081 0.000 2.649 112 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.220 112 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.220 112 G C 1.535 176.483 174.900 0.081 0.000 1.189 112 G CA 1.462 46.596 45.100 0.057 0.000 0.777 112 G HN 0.329 nan 8.290 nan 0.000 0.602 113 M N -0.747 118.892 119.600 0.065 0.000 2.106 113 M HA -0.089 4.391 4.480 -0.000 0.000 0.259 113 M C 2.428 178.755 176.300 0.045 0.000 1.068 113 M CA 1.757 57.075 55.300 0.030 0.000 1.100 113 M CB -0.281 32.292 32.600 -0.046 0.000 1.351 113 M HN 0.244 nan 8.290 nan 0.000 0.404 114 F N 1.205 121.210 119.950 0.091 0.000 2.134 114 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 114 F C 2.190 178.030 175.800 0.067 0.000 1.097 114 F CA 1.609 59.661 58.000 0.086 0.000 1.264 114 F CB -0.812 38.213 39.000 0.041 0.000 1.001 114 F HN 0.322 nan 8.300 nan 0.000 0.479 115 N N -0.022 118.813 118.700 0.226 0.000 2.443 115 N HA -0.134 4.606 4.740 -0.000 0.000 0.184 115 N C 0.665 176.232 175.510 0.096 0.000 1.037 115 N CA 1.268 54.397 53.050 0.132 0.000 0.896 115 N CB -0.371 38.171 38.487 0.092 0.000 0.959 115 N HN 0.335 nan 8.380 nan 0.000 0.442 116 D N -0.780 119.676 120.400 0.093 0.000 2.407 116 D HA 0.092 4.732 4.640 -0.000 0.000 0.208 116 D C -0.136 176.202 176.300 0.064 0.000 1.083 116 D CA 0.401 54.442 54.000 0.069 0.000 0.844 116 D CB 0.506 41.345 40.800 0.066 0.000 0.967 116 D HN -0.038 nan 8.370 nan 0.000 0.506 117 T N 0.846 115.443 114.554 0.071 0.000 2.823 117 T HA 0.370 4.719 4.350 -0.000 0.000 0.279 117 T C -0.184 174.530 174.700 0.023 0.000 0.998 117 T CA -0.864 61.253 62.100 0.027 0.000 0.994 117 T CB 2.032 70.917 68.868 0.028 0.000 0.960 117 T HN 0.057 nan 8.240 nan 0.000 0.448 118 E N 1.100 121.287 120.200 -0.021 0.000 2.216 118 E HA 0.566 4.916 4.350 -0.000 0.000 0.279 118 E C 0.760 177.360 176.600 -0.001 0.000 0.997 118 E CA -0.960 55.442 56.400 0.003 0.000 0.817 118 E CB 1.026 30.720 29.700 -0.011 0.000 1.096 118 E HN 0.786 nan 8.360 nan 0.000 0.393 119 G N 2.204 111.037 108.800 0.055 0.000 2.143 119 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.249 119 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.249 119 G C -0.431 174.556 174.900 0.145 0.000 0.981 119 G CA 0.324 45.477 45.100 0.089 0.000 0.665 119 G HN 0.493 nan 8.290 nan 0.000 0.528 120 L N 1.469 122.789 121.223 0.163 0.000 2.345 120 L HA 0.669 5.009 4.340 -0.000 0.000 0.274 120 L C -1.096 175.987 176.870 0.355 0.000 0.999 120 L CA -0.848 54.132 54.840 0.233 0.000 0.849 120 L CB 1.362 43.496 42.059 0.125 0.000 1.220 120 L HN 0.083 nan 8.230 nan 0.000 0.422 121 D N 3.853 124.460 120.400 0.344 0.000 2.350 121 D HA 0.306 4.946 4.640 -0.000 0.000 0.245 121 D C -1.301 174.992 176.300 -0.012 0.000 1.036 121 D CA -0.098 54.010 54.000 0.180 0.000 0.848 121 D CB 2.416 43.315 40.800 0.164 0.000 1.307 121 D HN 0.270 nan 8.370 nan 0.000 0.469 122 F N 2.148 121.763 119.950 -0.559 0.000 2.443 122 F HA 0.527 5.054 4.527 -0.000 0.000 0.335 122 F C -1.450 173.803 175.800 -0.912 0.000 1.104 122 F CA -0.816 56.724 58.000 -0.766 0.000 1.013 122 F CB 0.664 38.956 39.000 -1.180 0.000 1.136 122 F HN 0.109 nan 8.300 nan 0.000 0.470 123 F N 6.986 126.132 119.950 -1.340 0.000 2.507 123 F HA 0.400 4.927 4.527 -0.000 0.000 0.328 123 F C -0.779 174.188 175.800 -1.388 0.000 1.136 123 F CA -1.080 56.290 58.000 -1.050 0.000 0.930 123 F CB 1.568 40.258 39.000 -0.516 0.000 1.166 123 F HN 0.315 nan 8.300 nan 0.000 0.436 124 L N 4.062 124.787 121.223 -0.831 0.000 2.369 124 L HA 0.739 5.079 4.340 -0.000 0.000 0.279 124 L C 0.236 176.993 176.870 -0.189 0.000 1.108 124 L CA 0.763 55.379 54.840 -0.373 0.000 0.852 124 L CB -0.342 41.686 42.059 -0.052 0.000 1.169 124 L HN 0.801 nan 8.230 nan 0.000 0.452 125 G N 3.280 111.942 108.800 -0.231 0.000 2.320 125 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.274 125 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.274 125 G C -2.018 172.655 174.900 -0.378 0.000 1.324 125 G CA -0.652 44.344 45.100 -0.174 0.000 0.957 125 G HN 0.493 nan 8.290 nan 0.000 0.481 126 W N 0.847 122.068 121.300 -0.132 0.000 2.429 126 W HA 0.614 5.273 4.660 -0.000 0.000 0.314 126 W C 0.586 177.029 176.519 -0.127 0.000 1.062 126 W CA 0.186 57.440 57.345 -0.151 0.000 1.211 126 W CB 2.061 31.415 29.460 -0.177 0.000 1.305 126 W HN 0.895 nan 8.180 nan 0.000 0.476 127 G N 1.932 110.752 108.800 0.034 0.000 2.332 127 G HA2 0.590 4.550 3.960 -0.000 0.000 0.310 127 G HA3 0.590 4.550 3.960 -0.000 0.000 0.310 127 G C -0.768 174.142 174.900 0.017 0.000 1.123 127 G CA -0.542 44.553 45.100 -0.008 0.000 0.873 127 G HN 0.352 nan 8.290 nan 0.000 0.460 128 S N 1.216 116.914 115.700 -0.003 0.000 2.570 128 S HA 0.533 5.003 4.470 -0.000 0.000 0.286 128 S C -0.901 173.686 174.600 -0.023 0.000 1.099 128 S CA -0.918 57.277 58.200 -0.008 0.000 0.913 128 S CB 1.904 65.098 63.200 -0.009 0.000 1.085 128 S HN 0.304 nan 8.310 nan 0.000 0.480 129 L N 2.511 123.720 121.223 -0.022 0.000 2.385 129 L HA 0.355 4.695 4.340 -0.000 0.000 0.285 129 L C 1.622 178.474 176.870 -0.029 0.000 1.125 129 L CA 0.247 55.070 54.840 -0.028 0.000 0.890 129 L CB -0.499 41.544 42.059 -0.028 0.000 1.251 129 L HN 0.972 nan 8.230 nan 0.000 0.445 130 E N 1.760 121.941 120.200 -0.031 0.000 2.077 130 E HA -0.084 4.265 4.350 -0.000 0.000 0.193 130 E C 0.062 176.645 176.600 -0.029 0.000 0.989 130 E CA 1.056 57.438 56.400 -0.030 0.000 0.800 130 E CB 0.475 30.156 29.700 -0.031 0.000 0.746 130 E HN 0.716 nan 8.360 nan 0.000 0.452 131 S N -2.335 113.346 115.700 -0.031 0.000 2.611 131 S HA 0.163 4.633 4.470 -0.000 0.000 0.270 131 S C 0.048 174.626 174.600 -0.038 0.000 1.131 131 S CA -0.623 57.557 58.200 -0.032 0.000 0.826 131 S CB 0.998 64.181 63.200 -0.029 0.000 1.095 131 S HN 0.086 nan 8.310 nan 0.000 0.461 132 K N 0.594 120.969 120.400 -0.042 0.000 2.277 132 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 132 K C 0.504 177.068 176.600 -0.060 0.000 1.044 132 K CA 2.386 58.640 56.287 -0.054 0.000 0.932 132 K CB -0.437 32.031 32.500 -0.052 0.000 0.726 132 K HN 0.648 nan 8.250 nan 0.000 0.473 133 N N -1.267 117.405 118.700 -0.046 0.000 2.232 133 N HA 0.116 4.855 4.740 -0.000 0.000 0.240 133 N C -1.876 173.620 175.510 -0.023 0.000 1.307 133 N CA -0.358 52.667 53.050 -0.041 0.000 0.859 133 N CB 1.890 40.352 38.487 -0.043 0.000 1.260 133 N HN -0.176 nan 8.380 nan 0.000 0.501 134 V N 1.089 120.987 119.914 -0.027 0.000 2.577 134 V HA 0.471 4.590 4.120 -0.000 0.000 0.303 134 V C -0.524 175.550 176.094 -0.033 0.000 1.042 134 V CA -0.863 61.422 62.300 -0.025 0.000 0.872 134 V CB 2.226 34.033 31.823 -0.027 0.000 0.998 134 V HN -0.260 nan 8.190 nan 0.000 0.423 135 V N 5.360 125.248 119.914 -0.042 0.000 2.378 135 V HA 0.466 4.586 4.120 -0.000 0.000 0.288 135 V C -0.034 176.011 176.094 -0.081 0.000 1.016 135 V CA -0.568 61.696 62.300 -0.059 0.000 0.840 135 V CB 1.989 33.769 31.823 -0.071 0.000 0.994 135 V HN 0.753 nan 8.190 nan 0.000 0.431 136 V N 3.948 123.823 119.914 -0.065 0.000 2.743 136 V HA 0.720 4.839 4.120 -0.000 0.000 0.301 136 V C -0.180 175.875 176.094 -0.065 0.000 1.057 136 V CA -0.663 61.597 62.300 -0.067 0.000 1.006 136 V CB 1.582 33.379 31.823 -0.044 0.000 1.024 136 V HN 0.451 nan 8.190 nan 0.000 0.473 137 V N 4.561 124.433 119.914 -0.071 0.000 2.407 137 V HA 0.566 4.686 4.120 -0.000 0.000 0.291 137 V C 0.186 176.282 176.094 0.003 0.000 1.018 137 V CA -0.537 61.737 62.300 -0.045 0.000 0.842 137 V CB 1.214 32.975 31.823 -0.104 0.000 0.996 137 V HN 0.998 nan 8.190 nan 0.000 0.426 138 R N 2.458 122.995 120.500 0.063 0.000 2.797 138 R HA 0.530 4.870 4.340 -0.000 0.000 0.251 138 R C 0.633 177.010 176.300 0.128 0.000 1.107 138 R CA -0.898 55.236 56.100 0.057 0.000 1.084 138 R CB 1.424 31.730 30.300 0.009 0.000 1.205 138 R HN 0.500 nan 8.270 nan 0.000 0.515 139 E N 0.612 120.858 120.200 0.077 0.000 2.072 139 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 139 E C 0.818 177.515 176.600 0.162 0.000 0.982 139 E CA 1.615 58.087 56.400 0.119 0.000 0.803 139 E CB 0.188 29.922 29.700 0.058 0.000 0.755 139 E HN 0.686 nan 8.360 nan 0.000 0.453 140 T N -4.270 110.217 114.554 -0.111 0.000 2.858 140 T HA 0.594 4.944 4.350 -0.000 0.000 0.285 140 T C 0.900 174.932 174.700 -1.113 0.000 1.052 140 T CA -0.143 61.599 62.100 -0.597 0.000 1.009 140 T CB 1.643 70.310 68.868 -0.335 0.000 1.241 140 T HN -0.107 nan 8.240 nan 0.000 0.542 141 A N -0.062 121.778 122.820 -1.633 0.000 2.172 141 A HA 0.161 4.481 4.320 -0.000 0.000 0.216 141 A C 0.916 178.154 177.584 -0.577 0.000 1.154 141 A CA 0.767 52.003 52.037 -1.335 0.000 0.701 141 A CB -0.959 17.171 19.000 -1.451 0.000 0.789 141 A HN 0.837 nan 8.150 nan 0.000 0.465 142 D N -0.371 119.764 120.400 -0.442 0.000 2.343 142 D HA 0.256 4.895 4.640 -0.000 0.000 0.255 142 D C -1.817 174.376 176.300 -0.179 0.000 1.187 142 D CA -2.238 51.611 54.000 -0.251 0.000 0.875 142 D CB 1.148 41.830 40.800 -0.197 0.000 1.136 142 D HN -0.037 nan 8.370 nan 0.000 0.469 143 P HA -0.149 nan 4.420 nan 0.000 0.224 143 P C -0.097 177.162 177.300 -0.070 0.000 1.142 143 P CA 1.222 64.270 63.100 -0.087 0.000 0.778 143 P CB 0.055 31.712 31.700 -0.071 0.000 0.764 144 K N -1.717 118.639 120.400 -0.074 0.000 2.593 144 K HA 0.256 4.576 4.320 -0.000 0.000 0.208 144 K C 0.142 176.708 176.600 -0.056 0.000 1.051 144 K CA -0.453 55.800 56.287 -0.056 0.000 1.111 144 K CB -0.543 31.929 32.500 -0.047 0.000 0.849 144 K HN -0.032 nan 8.250 nan 0.000 0.479 145 S N -0.389 115.270 115.700 -0.068 0.000 2.693 145 S HA 0.642 5.112 4.470 -0.000 0.000 0.276 145 S C 0.375 174.955 174.600 -0.033 0.000 1.192 145 S CA -0.716 57.450 58.200 -0.058 0.000 0.994 145 S CB 1.138 64.286 63.200 -0.087 0.000 1.012 145 S HN 0.315 nan 8.310 nan 0.000 0.550 146 A N 1.751 124.560 122.820 -0.018 0.000 2.752 146 A HA 0.398 4.718 4.320 -0.000 0.000 0.292 146 A C 0.381 177.964 177.584 -0.000 0.000 1.597 146 A CA -0.576 51.457 52.037 -0.006 0.000 1.241 146 A CB -1.577 17.424 19.000 0.002 0.000 1.061 146 A HN 0.924 nan 8.150 nan 0.000 0.576 147 V N 3.597 123.506 119.914 -0.008 0.000 2.800 147 V HA -0.200 3.919 4.120 -0.000 0.000 0.299 147 V C 1.415 177.507 176.094 -0.004 0.000 1.151 147 V CA 1.432 63.726 62.300 -0.010 0.000 1.297 147 V CB -0.467 31.344 31.823 -0.019 0.000 0.835 147 V HN 0.977 nan 8.190 nan 0.000 0.484 148 K N 2.693 123.091 120.400 -0.004 0.000 2.276 148 K HA 0.183 4.502 4.320 -0.000 0.000 0.198 148 K C 0.275 176.864 176.600 -0.018 0.000 1.052 148 K CA 0.449 56.738 56.287 0.003 0.000 0.984 148 K CB 0.417 32.929 32.500 0.019 0.000 0.836 148 K HN 0.700 nan 8.250 nan 0.000 0.490 149 E N 0.268 120.433 120.200 -0.059 0.000 2.380 149 E HA 0.246 4.596 4.350 -0.000 0.000 0.281 149 E C -1.268 175.254 176.600 -0.130 0.000 0.999 149 E CA -0.482 55.846 56.400 -0.120 0.000 0.800 149 E CB 1.873 31.418 29.700 -0.259 0.000 1.228 149 E HN 0.019 nan 8.360 nan 0.000 0.436 150 R N 1.722 122.149 120.500 -0.122 0.000 2.422 150 R HA 0.497 4.837 4.340 -0.000 0.000 0.307 150 R C -0.371 175.876 176.300 -0.089 0.000 1.004 150 R CA -0.493 55.551 56.100 -0.094 0.000 0.882 150 R CB 1.012 31.280 30.300 -0.053 0.000 1.164 150 R HN 0.239 nan 8.270 nan 0.000 0.489 151 L N 2.370 123.530 121.223 -0.105 0.000 2.275 151 L HA 0.395 4.735 4.340 -0.000 0.000 0.288 151 L C 0.276 177.167 176.870 0.035 0.000 1.046 151 L CA -0.596 54.225 54.840 -0.031 0.000 0.805 151 L CB 1.348 43.305 42.059 -0.169 0.000 1.193 151 L HN 0.407 nan 8.230 nan 0.000 0.426 152 Q N 2.406 122.268 119.800 0.105 0.000 2.256 152 Q HA 0.684 5.024 4.340 -0.000 0.000 0.254 152 Q C -0.949 175.123 176.000 0.120 0.000 0.916 152 Q CA -0.503 55.341 55.803 0.069 0.000 0.932 152 Q CB 2.005 30.763 28.738 0.034 0.000 1.207 152 Q HN 0.791 nan 8.270 nan 0.000 0.426 153 A N 3.593 126.456 122.820 0.072 0.000 2.381 153 A HA 0.303 4.623 4.320 -0.000 0.000 0.299 153 A C -0.625 176.977 177.584 0.029 0.000 1.049 153 A CA -0.645 51.449 52.037 0.095 0.000 0.715 153 A CB 1.207 20.257 19.000 0.083 0.000 1.222 153 A HN 0.797 nan 8.150 nan 0.000 0.428 154 D N 0.568 120.995 120.400 0.044 0.000 2.183 154 D HA 0.046 4.685 4.640 -0.000 0.000 0.203 154 D C 0.092 176.117 176.300 -0.457 0.000 0.969 154 D CA 1.711 55.619 54.000 -0.152 0.000 0.842 154 D CB 0.099 40.879 40.800 -0.034 0.000 0.957 154 D HN 0.638 nan 8.370 nan 0.000 0.484 155 H N -0.921 118.269 119.070 0.201 0.000 2.771 155 H HA 0.452 5.008 4.556 -0.000 0.000 0.361 155 H C -0.569 174.865 175.328 0.177 0.000 1.108 155 H CA -0.600 55.583 56.048 0.225 0.000 1.201 155 H CB 1.756 31.780 29.762 0.437 0.000 1.681 155 H HN -0.148 nan 8.280 nan 0.000 0.534 156 I N 3.495 124.158 120.570 0.155 0.000 2.418 156 I HA 0.089 4.259 4.170 -0.000 0.000 0.287 156 I C -0.720 175.485 176.117 0.146 0.000 1.008 156 I CA -0.801 60.564 61.300 0.108 0.000 1.104 156 I CB 2.096 40.097 38.000 0.003 0.000 1.264 156 I HN 0.161 nan 8.210 nan 0.000 0.438 157 L N 8.155 129.499 121.223 0.202 0.000 2.265 157 L HA 0.508 4.847 4.340 -0.000 0.000 0.289 157 L C -0.850 176.095 176.870 0.125 0.000 1.033 157 L CA -0.200 54.769 54.840 0.216 0.000 0.814 157 L CB 0.905 43.105 42.059 0.234 0.000 1.203 157 L HN 0.429 nan 8.230 nan 0.000 0.423 158 L N 6.352 127.638 121.223 0.105 0.000 2.278 158 L HA 0.579 4.919 4.340 -0.000 0.000 0.287 158 L C 0.583 177.500 176.870 0.078 0.000 1.072 158 L CA -0.120 54.762 54.840 0.070 0.000 0.819 158 L CB 0.937 43.027 42.059 0.052 0.000 1.176 158 L HN 0.877 nan 8.230 nan 0.000 0.435 159 A N 1.141 124.000 122.820 0.065 0.000 2.843 159 A HA 0.220 4.540 4.320 -0.000 0.000 0.248 159 A C 0.970 178.585 177.584 0.050 0.000 0.904 159 A CA -0.105 51.972 52.037 0.067 0.000 1.091 159 A CB -0.087 18.960 19.000 0.078 0.000 1.208 159 A HN 0.723 nan 8.150 nan 0.000 0.476 160 T N -3.460 111.120 114.554 0.043 0.000 3.113 160 T HA 0.431 4.781 4.350 -0.000 0.000 0.256 160 T C 1.422 176.159 174.700 0.061 0.000 1.131 160 T CA 1.195 63.313 62.100 0.031 0.000 1.074 160 T CB -0.122 68.754 68.868 0.013 0.000 0.944 160 T HN 2.038 nan 8.240 nan 0.000 0.516 161 G N 1.656 110.501 108.800 0.075 0.000 2.525 161 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.248 161 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.248 161 G C -0.001 174.976 174.900 0.128 0.000 1.238 161 G CA 0.114 45.273 45.100 0.099 0.000 0.926 161 G HN 1.473 nan 8.290 nan 0.000 0.574 162 S N -1.527 114.278 115.700 0.175 0.000 2.810 162 S HA 0.840 5.309 4.470 -0.000 0.000 0.315 162 S C -0.856 173.986 174.600 0.403 0.000 1.138 162 S CA 0.071 58.406 58.200 0.225 0.000 0.889 162 S CB 2.661 65.953 63.200 0.154 0.000 1.236 162 S HN 1.656 nan 8.310 nan 0.000 0.548 163 W N 0.682 122.024 121.300 0.069 0.000 3.372 163 W HA 0.379 5.039 4.660 -0.000 0.000 0.315 163 W C -3.354 173.206 176.519 0.068 0.000 1.223 163 W CA -2.162 55.230 57.345 0.079 0.000 1.202 163 W CB 1.827 31.339 29.460 0.087 0.000 1.367 163 W HN 0.473 nan 8.180 nan 0.000 0.531 164 P HA -0.066 nan 4.420 nan 0.000 0.264 164 P C -0.615 176.680 177.300 -0.009 0.000 1.193 164 P CA 0.712 63.714 63.100 -0.164 0.000 0.763 164 P CB 0.491 31.999 31.700 -0.320 0.000 0.810 165 Q N 3.159 122.983 119.800 0.039 0.000 2.304 165 Q HA 0.295 4.635 4.340 -0.000 0.000 0.260 165 Q C -0.796 175.230 176.000 0.043 0.000 0.965 165 Q CA -0.125 55.720 55.803 0.070 0.000 0.898 165 Q CB 0.375 29.155 28.738 0.070 0.000 1.196 165 Q HN 0.325 nan 8.270 nan 0.000 0.402 166 M N 5.746 125.379 119.600 0.056 0.000 2.243 166 M HA 0.408 4.888 4.480 -0.000 0.000 0.324 166 M C -2.239 174.083 176.300 0.036 0.000 1.031 166 M CA -2.413 52.908 55.300 0.035 0.000 0.949 166 M CB 0.973 33.595 32.600 0.038 0.000 1.615 166 M HN 0.558 nan 8.290 nan 0.000 0.430 167 P HA 0.249 nan 4.420 nan 0.000 0.269 167 P C -0.648 176.663 177.300 0.018 0.000 1.215 167 P CA -0.393 62.721 63.100 0.023 0.000 0.780 167 P CB 0.502 32.212 31.700 0.015 0.000 0.898 168 A N 3.633 126.464 122.820 0.018 0.000 2.922 168 A HA 0.480 4.799 4.320 -0.000 0.000 0.298 168 A C 0.622 178.211 177.584 0.009 0.000 1.588 168 A CA -0.574 51.472 52.037 0.016 0.000 1.288 168 A CB -1.418 17.593 19.000 0.018 0.000 1.130 168 A HN 0.555 nan 8.150 nan 0.000 0.557 169 I N -1.517 119.055 120.570 0.004 0.000 2.785 169 I HA 0.677 4.847 4.170 -0.000 0.000 0.302 169 I C -2.826 173.292 176.117 0.002 0.000 1.069 169 I CA -3.168 58.130 61.300 -0.002 0.000 1.045 169 I CB 2.047 40.036 38.000 -0.017 0.000 1.236 169 I HN 0.077 nan 8.210 nan 0.000 0.429 170 P HA 0.154 nan 4.420 nan 0.000 0.266 170 P C 0.756 178.073 177.300 0.028 0.000 1.195 170 P CA 0.756 63.866 63.100 0.017 0.000 0.768 170 P CB 0.596 32.305 31.700 0.016 0.000 0.838 171 G N 2.364 111.200 108.800 0.059 0.000 2.153 171 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.252 171 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.252 171 G C 0.722 175.666 174.900 0.073 0.000 0.994 171 G CA 0.200 45.376 45.100 0.126 0.000 0.698 171 G HN 0.565 nan 8.290 nan 0.000 0.521 172 I N 1.468 122.050 120.570 0.019 0.000 2.567 172 I HA -0.054 4.116 4.170 -0.000 0.000 0.257 172 I C 2.468 178.567 176.117 -0.030 0.000 1.184 172 I CA 2.076 63.375 61.300 -0.002 0.000 1.451 172 I CB -0.104 37.895 38.000 -0.001 0.000 1.089 172 I HN 0.478 nan 8.210 nan 0.000 0.441 173 E N -0.760 119.390 120.200 -0.083 0.000 2.418 173 E HA -0.230 4.119 4.350 -0.000 0.000 0.197 173 E C 1.136 177.553 176.600 -0.306 0.000 1.026 173 E CA 1.276 57.568 56.400 -0.180 0.000 0.862 173 E CB -0.935 28.625 29.700 -0.233 0.000 0.799 173 E HN 0.648 nan 8.360 nan 0.000 0.518 174 H N -0.453 118.614 119.070 -0.005 0.000 2.526 174 H HA 0.234 4.790 4.556 -0.000 0.000 0.274 174 H C 0.236 175.547 175.328 -0.028 0.000 0.999 174 H CA -0.225 55.815 56.048 -0.013 0.000 1.157 174 H CB 0.207 29.960 29.762 -0.014 0.000 1.407 174 H HN 0.121 nan 8.280 nan 0.000 0.568 175 C N 1.160 120.477 119.300 0.027 0.000 2.347 175 C HA 0.505 4.964 4.460 -0.000 0.000 0.366 175 C C 1.013 175.986 174.990 -0.028 0.000 1.241 175 C CA -0.890 58.122 59.018 -0.010 0.000 2.360 175 C CB 0.440 28.165 27.740 -0.025 0.000 2.290 175 C HN 0.505 nan 8.230 nan 0.000 0.587 176 I N -0.039 120.500 120.570 -0.052 0.000 3.264 176 I HA 0.845 5.015 4.170 -0.000 0.000 0.309 176 I C 0.062 176.112 176.117 -0.112 0.000 1.099 176 I CA -0.248 61.008 61.300 -0.073 0.000 0.989 176 I CB 1.892 39.849 38.000 -0.071 0.000 1.250 176 I HN 0.702 nan 8.210 nan 0.000 0.478 177 S N 0.168 115.769 115.700 -0.164 0.000 2.795 177 S HA 0.372 4.842 4.470 -0.000 0.000 0.308 177 S C 1.011 175.443 174.600 -0.281 0.000 1.098 177 S CA 0.046 58.121 58.200 -0.209 0.000 0.934 177 S CB 0.876 63.923 63.200 -0.255 0.000 1.300 177 S HN 0.881 nan 8.310 nan 0.000 0.566 178 S N 1.457 116.975 115.700 -0.304 0.000 2.400 178 S HA -0.197 4.272 4.470 -0.000 0.000 0.232 178 S C 1.484 175.988 174.600 -0.160 0.000 1.025 178 S CA 1.397 59.363 58.200 -0.390 0.000 0.993 178 S CB -1.152 61.962 63.200 -0.143 0.000 0.808 178 S HN 0.659 nan 8.310 nan 0.000 0.478 179 N N 2.301 120.884 118.700 -0.195 0.000 2.036 179 N HA -0.119 4.621 4.740 -0.000 0.000 0.195 179 N C 1.664 177.071 175.510 -0.172 0.000 1.037 179 N CA 1.957 54.833 53.050 -0.290 0.000 0.855 179 N CB -0.650 37.254 38.487 -0.972 0.000 1.033 179 N HN 0.551 nan 8.380 nan 0.000 0.423 180 E N 0.523 120.585 120.200 -0.229 0.000 2.274 180 E HA 0.098 4.448 4.350 -0.000 0.000 0.194 180 E C 1.841 178.525 176.600 0.140 0.000 0.996 180 E CA 0.699 57.114 56.400 0.024 0.000 0.840 180 E CB -0.277 29.422 29.700 -0.001 0.000 0.772 180 E HN 0.375 nan 8.360 nan 0.000 0.491 181 A N 0.276 123.075 122.820 -0.035 0.000 1.902 181 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 181 A C 1.652 179.314 177.584 0.130 0.000 1.181 181 A CA 0.983 52.990 52.037 -0.050 0.000 0.623 181 A CB -0.811 17.821 19.000 -0.613 0.000 0.818 181 A HN 0.252 nan 8.150 nan 0.000 0.443 182 F N -1.932 118.100 119.950 0.137 0.000 2.449 182 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 182 F C 1.205 176.763 175.800 -0.404 0.000 1.092 182 F CA 1.241 59.188 58.000 -0.088 0.000 1.446 182 F CB -0.365 38.531 39.000 -0.174 0.000 1.084 182 F HN 0.371 nan 8.300 nan 0.000 0.567 183 Y N -1.680 118.842 120.300 0.369 0.000 2.563 183 Y HA 0.309 4.858 4.550 -0.000 0.000 0.250 183 Y C 0.430 176.512 175.900 0.304 0.000 1.126 183 Y CA -0.933 57.352 58.100 0.309 0.000 1.231 183 Y CB -0.162 38.490 38.460 0.320 0.000 1.288 183 Y HN -0.301 nan 8.280 nan 0.000 0.537 184 L N 3.682 125.181 121.223 0.459 0.000 2.640 184 L HA -0.058 4.282 4.340 -0.000 0.000 0.280 184 L C -1.234 175.924 176.870 0.480 0.000 1.229 184 L CA -0.868 54.220 54.840 0.413 0.000 0.919 184 L CB 0.341 42.608 42.059 0.347 0.000 1.168 184 L HN 0.019 nan 8.230 nan 0.000 0.496 185 P HA -0.154 nan 4.420 nan 0.000 0.219 185 P C -0.148 177.349 177.300 0.328 0.000 1.146 185 P CA 1.255 64.519 63.100 0.274 0.000 0.808 185 P CB 0.119 31.924 31.700 0.174 0.000 0.779 186 E N -1.922 118.432 120.200 0.258 0.000 2.412 186 E HA 0.422 4.772 4.350 -0.000 0.000 0.279 186 E C -3.222 173.166 176.600 -0.354 0.000 0.984 186 E CA -2.684 53.777 56.400 0.103 0.000 0.788 186 E CB 1.666 31.403 29.700 0.061 0.000 1.277 186 E HN -0.202 nan 8.360 nan 0.000 0.455 187 P HA 0.256 nan 4.420 nan 0.000 0.280 187 P C -2.424 174.587 177.300 -0.481 0.000 1.244 187 P CA -1.449 61.045 63.100 -1.009 0.000 0.784 187 P CB 0.267 31.534 31.700 -0.722 0.000 0.913 188 P HA 0.195 nan 4.420 nan 0.000 0.271 188 P C 0.716 177.869 177.300 -0.245 0.000 1.218 188 P CA -0.173 62.706 63.100 -0.367 0.000 0.780 188 P CB 1.380 32.762 31.700 -0.531 0.000 0.901 189 R N 2.368 122.770 120.500 -0.163 0.000 2.057 189 R HA 0.054 4.394 4.340 -0.000 0.000 0.224 189 R C 0.482 176.726 176.300 -0.092 0.000 1.136 189 R CA 0.800 56.840 56.100 -0.100 0.000 0.968 189 R CB 0.267 30.528 30.300 -0.066 0.000 0.863 189 R HN 0.439 nan 8.270 nan 0.000 0.433 190 R N 0.055 120.494 120.500 -0.102 0.000 2.562 190 R HA 0.452 4.792 4.340 -0.000 0.000 0.298 190 R C -1.578 174.636 176.300 -0.143 0.000 0.961 190 R CA -0.546 55.499 56.100 -0.091 0.000 0.881 190 R CB 2.716 32.984 30.300 -0.053 0.000 1.159 190 R HN 0.014 nan 8.270 nan 0.000 0.450 191 V N 4.232 124.059 119.914 -0.145 0.000 2.888 191 V HA 0.468 4.587 4.120 -0.000 0.000 0.309 191 V C -1.833 174.205 176.094 -0.093 0.000 1.114 191 V CA -0.995 61.182 62.300 -0.204 0.000 0.940 191 V CB 2.152 33.692 31.823 -0.472 0.000 1.021 191 V HN 0.605 nan 8.190 nan 0.000 0.426 192 L N 6.455 127.634 121.223 -0.073 0.000 2.276 192 L HA 0.686 5.026 4.340 -0.000 0.000 0.286 192 L C 0.408 177.285 176.870 0.012 0.000 1.024 192 L CA 0.357 55.199 54.840 0.002 0.000 0.826 192 L CB 1.464 43.534 42.059 0.019 0.000 1.211 192 L HN 0.929 nan 8.230 nan 0.000 0.422 193 T N 2.503 117.102 114.554 0.075 0.000 2.749 193 T HA 0.553 4.903 4.350 -0.000 0.000 0.295 193 T C -0.127 174.632 174.700 0.098 0.000 0.936 193 T CA -0.647 61.519 62.100 0.109 0.000 1.060 193 T CB 0.742 69.719 68.868 0.183 0.000 0.904 193 T HN 0.308 nan 8.240 nan 0.000 0.500 194 V N 3.772 123.732 119.914 0.077 0.000 2.370 194 V HA 0.834 4.954 4.120 -0.000 0.000 0.283 194 V C 0.849 177.008 176.094 0.108 0.000 1.023 194 V CA 0.230 62.586 62.300 0.092 0.000 0.857 194 V CB 0.402 32.256 31.823 0.052 0.000 0.985 194 V HN 1.522 nan 8.190 nan 0.000 0.443 195 G N 3.518 112.410 108.800 0.154 0.000 2.428 195 G HA2 0.315 4.275 3.960 -0.000 0.000 0.681 195 G HA3 0.315 4.275 3.960 -0.000 0.000 0.681 195 G C 0.139 175.124 174.900 0.142 0.000 1.340 195 G CA -0.356 44.852 45.100 0.180 0.000 0.915 195 G HN 1.105 nan 8.290 nan 0.000 0.645 196 G N -0.491 108.354 108.800 0.075 0.000 3.502 196 G HA2 0.634 4.594 3.960 -0.000 0.000 0.267 196 G HA3 0.634 4.594 3.960 -0.000 0.000 0.267 196 G C 0.816 175.584 174.900 -0.221 0.000 1.090 196 G CA 1.128 46.066 45.100 -0.270 0.000 0.795 196 G HN 1.348 nan 8.290 nan 0.000 0.535 197 G N -0.256 108.523 108.800 -0.034 0.000 2.890 197 G HA2 0.443 4.403 3.960 -0.000 0.000 0.189 197 G HA3 0.443 4.403 3.960 -0.000 0.000 0.189 197 G C 0.572 175.503 174.900 0.053 0.000 1.342 197 G CA -0.675 44.449 45.100 0.040 0.000 1.026 197 G HN -0.023 nan 8.290 nan 0.000 0.579 198 F N -0.241 119.745 119.950 0.060 0.000 2.046 198 F HA -0.047 4.480 4.527 -0.000 0.000 0.297 198 F C 2.703 178.548 175.800 0.074 0.000 1.123 198 F CA 1.623 59.660 58.000 0.061 0.000 1.199 198 F CB -0.265 38.806 39.000 0.118 0.000 0.972 198 F HN 0.104 nan 8.300 nan 0.000 0.474 199 I N -1.527 119.250 120.570 0.346 0.000 2.233 199 I HA -0.280 3.889 4.170 -0.000 0.000 0.243 199 I C 2.622 178.897 176.117 0.263 0.000 1.093 199 I CA 1.231 62.715 61.300 0.307 0.000 1.380 199 I CB -0.628 37.520 38.000 0.246 0.000 1.067 199 I HN 0.094 nan 8.210 nan 0.000 0.413 200 S N 0.533 116.339 115.700 0.177 0.000 2.359 200 S HA -0.184 4.285 4.470 -0.000 0.000 0.223 200 S C 2.128 176.802 174.600 0.123 0.000 1.039 200 S CA 1.757 60.044 58.200 0.145 0.000 1.042 200 S CB -0.281 62.980 63.200 0.102 0.000 0.915 200 S HN 0.222 nan 8.310 nan 0.000 0.439 201 V N 1.556 121.501 119.914 0.052 0.000 2.332 201 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 201 V C 2.438 178.528 176.094 -0.006 0.000 1.055 201 V CA 2.194 64.485 62.300 -0.015 0.000 1.038 201 V CB -0.755 30.996 31.823 -0.120 0.000 0.651 201 V HN 0.529 nan 8.190 nan 0.000 0.450 202 E N -0.792 119.422 120.200 0.024 0.000 2.047 202 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 202 E C 2.105 178.604 176.600 -0.169 0.000 0.987 202 E CA 1.402 57.774 56.400 -0.047 0.000 0.799 202 E CB -0.205 29.494 29.700 -0.001 0.000 0.752 202 E HN 0.566 nan 8.360 nan 0.000 0.449 203 F N 0.991 120.861 119.950 -0.133 0.000 2.134 203 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 203 F C 2.392 178.007 175.800 -0.307 0.000 1.097 203 F CA 1.075 58.871 58.000 -0.340 0.000 1.264 203 F CB -0.521 38.299 39.000 -0.301 0.000 1.001 203 F HN 0.003 nan 8.300 nan 0.000 0.479 204 A N 0.369 123.268 122.820 0.133 0.000 1.903 204 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 204 A C 2.573 180.191 177.584 0.057 0.000 1.191 204 A CA 2.204 54.335 52.037 0.157 0.000 0.638 204 A CB -1.706 17.360 19.000 0.110 0.000 0.823 204 A HN 0.435 nan 8.150 nan 0.000 0.451 205 G N -0.210 108.577 108.800 -0.022 0.000 2.446 205 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 205 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 205 G C 1.541 176.414 174.900 -0.044 0.000 1.168 205 G CA 1.211 46.289 45.100 -0.038 0.000 0.771 205 G HN 0.515 nan 8.290 nan 0.000 0.551 206 I N -0.003 120.466 120.570 -0.169 0.000 2.127 206 I HA -0.169 4.001 4.170 -0.000 0.000 0.241 206 I C 2.488 178.620 176.117 0.025 0.000 1.075 206 I CA 1.115 62.326 61.300 -0.149 0.000 1.334 206 I CB -0.375 37.345 38.000 -0.468 0.000 1.040 206 I HN 0.062 nan 8.210 nan 0.000 0.405 207 F N 0.834 120.870 119.950 0.144 0.000 2.269 207 F HA -0.190 4.337 4.527 -0.000 0.000 0.301 207 F C 2.275 178.115 175.800 0.066 0.000 1.082 207 F CA 1.317 59.361 58.000 0.074 0.000 1.360 207 F CB -1.301 37.705 39.000 0.010 0.000 1.041 207 F HN 0.162 nan 8.300 nan 0.000 0.512 208 N N 0.425 119.251 118.700 0.209 0.000 2.289 208 N HA -0.120 4.620 4.740 -0.000 0.000 0.184 208 N C 1.752 177.313 175.510 0.085 0.000 1.016 208 N CA 1.230 54.352 53.050 0.119 0.000 0.872 208 N CB -0.175 38.353 38.487 0.068 0.000 0.973 208 N HN 0.193 nan 8.380 nan 0.000 0.433 209 A N -1.175 121.705 122.820 0.099 0.000 1.903 209 A HA 0.054 4.374 4.320 -0.000 0.000 0.213 209 A C 1.431 178.957 177.584 -0.096 0.000 1.185 209 A CA 0.679 52.702 52.037 -0.023 0.000 0.628 209 A CB -0.620 18.333 19.000 -0.079 0.000 0.830 209 A HN 0.425 nan 8.150 nan 0.000 0.446 210 Y N 1.075 121.460 120.300 0.142 0.000 2.482 210 Y HA 0.092 4.642 4.550 -0.000 0.000 0.270 210 Y C 0.965 176.911 175.900 0.077 0.000 1.152 210 Y CA 0.265 58.468 58.100 0.172 0.000 1.292 210 Y CB 0.000 38.679 38.460 0.364 0.000 1.070 210 Y HN 0.319 nan 8.280 nan 0.000 0.528 211 K N 1.851 122.341 120.400 0.149 0.000 2.511 211 K HA 0.034 4.354 4.320 -0.000 0.000 0.280 211 K C -2.758 173.866 176.600 0.040 0.000 1.008 211 K CA -1.231 55.090 56.287 0.056 0.000 1.050 211 K CB -0.046 32.479 32.500 0.043 0.000 0.889 211 K HN -0.037 nan 8.250 nan 0.000 0.484 212 P HA 0.153 nan 4.420 nan 0.000 0.274 212 P C -2.546 174.764 177.300 0.016 0.000 1.260 212 P CA -1.424 61.690 63.100 0.023 0.000 0.793 212 P CB -0.417 31.288 31.700 0.008 0.000 1.048 213 P HA 0.148 nan 4.420 nan 0.000 0.267 213 P C 0.851 178.155 177.300 0.007 0.000 1.205 213 P CA 0.966 64.075 63.100 0.015 0.000 0.765 213 P CB -0.054 31.657 31.700 0.018 0.000 0.828 214 G N 1.718 110.521 108.800 0.004 0.000 2.213 214 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.226 214 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.226 214 G C 0.638 175.535 174.900 -0.005 0.000 0.992 214 G CA -0.199 44.901 45.100 -0.001 0.000 0.632 214 G HN 0.886 nan 8.290 nan 0.000 0.511 215 G N -0.248 108.548 108.800 -0.006 0.000 2.716 215 G HA2 0.503 4.462 3.960 -0.000 0.000 0.251 215 G HA3 0.503 4.462 3.960 -0.000 0.000 0.251 215 G C -0.133 174.762 174.900 -0.009 0.000 1.224 215 G CA 0.894 45.986 45.100 -0.013 0.000 0.891 215 G HN 0.952 nan 8.290 nan 0.000 0.561 216 K N -0.805 119.586 120.400 -0.014 0.000 2.565 216 K HA 0.417 4.737 4.320 -0.000 0.000 0.251 216 K C -1.099 175.501 176.600 -0.001 0.000 0.956 216 K CA -0.567 55.718 56.287 -0.005 0.000 0.809 216 K CB 1.959 34.455 32.500 -0.007 0.000 1.267 216 K HN 0.311 nan 8.250 nan 0.000 0.438 217 V N 3.946 123.875 119.914 0.024 0.000 2.406 217 V HA 0.395 4.515 4.120 -0.000 0.000 0.272 217 V C -0.393 175.725 176.094 0.039 0.000 1.043 217 V CA -0.360 61.968 62.300 0.048 0.000 0.915 217 V CB 1.312 33.201 31.823 0.110 0.000 0.988 217 V HN 0.852 nan 8.190 nan 0.000 0.466 218 T N 6.796 121.374 114.554 0.040 0.000 2.758 218 T HA 0.527 4.877 4.350 -0.000 0.000 0.285 218 T C -0.397 174.348 174.700 0.075 0.000 0.981 218 T CA -0.248 61.880 62.100 0.047 0.000 0.965 218 T CB 1.203 70.100 68.868 0.048 0.000 0.927 218 T HN 0.493 nan 8.240 nan 0.000 0.448 219 L N 4.654 125.920 121.223 0.071 0.000 2.289 219 L HA 0.673 5.013 4.340 -0.000 0.000 0.285 219 L C -0.011 176.919 176.870 0.100 0.000 1.049 219 L CA -0.601 54.292 54.840 0.089 0.000 0.804 219 L CB 0.250 42.349 42.059 0.067 0.000 1.195 219 L HN 0.947 nan 8.230 nan 0.000 0.428 220 C N 3.462 122.849 119.300 0.144 0.000 2.456 220 C HA 0.690 5.150 4.460 -0.000 0.000 0.325 220 C C -0.803 174.326 174.990 0.232 0.000 1.217 220 C CA -0.937 58.185 59.018 0.173 0.000 1.687 220 C CB 0.834 28.734 27.740 0.267 0.000 2.270 220 C HN 0.809 nan 8.230 nan 0.000 0.499 221 Y N 3.357 123.689 120.300 0.052 0.000 2.492 221 Y HA 0.570 5.120 4.550 -0.000 0.000 0.346 221 Y C 1.173 177.099 175.900 0.044 0.000 0.997 221 Y CA -1.211 56.918 58.100 0.047 0.000 1.025 221 Y CB 1.525 40.002 38.460 0.028 0.000 1.263 221 Y HN 0.902 nan 8.280 nan 0.000 0.454 222 R N 1.716 121.918 120.500 -0.496 0.000 2.235 222 R HA 0.144 4.484 4.340 -0.000 0.000 0.213 222 R C -0.562 175.381 176.300 -0.594 0.000 1.059 222 R CA 1.077 56.927 56.100 -0.416 0.000 0.997 222 R CB -0.230 29.940 30.300 -0.216 0.000 0.884 222 R HN 0.610 nan 8.270 nan 0.000 0.462 223 N N -0.391 117.572 118.700 -1.228 0.000 3.061 223 N HA 0.125 4.865 4.740 -0.000 0.000 0.346 223 N C -0.233 175.113 175.510 -0.272 0.000 1.392 223 N CA -0.819 51.865 53.050 -0.611 0.000 0.762 223 N CB 0.363 38.629 38.487 -0.368 0.000 1.367 223 N HN -0.065 nan 8.380 nan 0.000 0.607 224 N N -0.203 118.495 118.700 -0.005 0.000 2.409 224 N HA 0.022 4.762 4.740 -0.000 0.000 0.179 224 N C -0.849 174.758 175.510 0.161 0.000 1.032 224 N CA 0.656 53.746 53.050 0.067 0.000 0.898 224 N CB 0.304 38.813 38.487 0.036 0.000 0.971 224 N HN 0.240 nan 8.380 nan 0.000 0.441 225 L N 1.249 122.657 121.223 0.307 0.000 2.588 225 L HA 0.388 4.728 4.340 -0.000 0.000 0.263 225 L C -0.409 176.506 176.870 0.075 0.000 0.935 225 L CA -0.740 54.205 54.840 0.176 0.000 0.891 225 L CB 1.346 43.458 42.059 0.088 0.000 1.318 225 L HN -0.000 nan 8.230 nan 0.000 0.409 226 I N 1.977 122.465 120.570 -0.136 0.000 3.327 226 I HA 0.314 4.484 4.170 -0.000 0.000 0.280 226 I C 0.426 176.326 176.117 -0.361 0.000 1.207 226 I CA -0.628 60.361 61.300 -0.518 0.000 1.280 226 I CB 0.223 38.016 38.000 -0.345 0.000 1.417 226 I HN 0.788 nan 8.210 nan 0.000 0.639 227 L N 0.151 121.147 121.223 -0.379 0.000 3.608 227 L HA -0.185 4.155 4.340 -0.000 0.000 0.422 227 L C 0.706 177.620 176.870 0.074 0.000 1.260 227 L CA 0.374 55.128 54.840 -0.142 0.000 0.889 227 L CB -1.335 40.531 42.059 -0.323 0.000 1.821 227 L HN 0.760 nan 8.230 nan 0.000 0.884 228 R N 0.813 121.313 120.500 0.001 0.000 2.537 228 R HA 0.247 4.587 4.340 -0.000 0.000 0.281 228 R C 1.402 177.749 176.300 0.077 0.000 0.988 228 R CA 1.474 57.610 56.100 0.061 0.000 1.077 228 R CB 0.228 30.580 30.300 0.087 0.000 0.932 228 R HN 0.485 nan 8.270 nan 0.000 0.409 229 G N 2.915 111.725 108.800 0.015 0.000 2.231 229 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.206 229 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.206 229 G C -0.297 174.434 174.900 -0.282 0.000 0.996 229 G CA -0.308 44.716 45.100 -0.125 0.000 0.645 229 G HN 0.497 nan 8.290 nan 0.000 0.498 230 F N 1.035 120.920 119.950 -0.108 0.000 2.509 230 F HA 0.593 5.120 4.527 -0.000 0.000 0.334 230 F C 0.732 176.412 175.800 -0.199 0.000 1.060 230 F CA -0.339 57.568 58.000 -0.156 0.000 0.997 230 F CB 0.961 39.854 39.000 -0.179 0.000 1.271 230 F HN 0.083 nan 8.300 nan 0.000 0.488 231 D N 0.791 121.138 120.400 -0.088 0.000 2.506 231 D HA -0.078 4.562 4.640 -0.000 0.000 0.234 231 D C 0.962 177.222 176.300 -0.066 0.000 1.143 231 D CA 0.555 54.428 54.000 -0.213 0.000 0.871 231 D CB 0.710 41.326 40.800 -0.306 0.000 1.190 231 D HN 0.624 nan 8.370 nan 0.000 0.459 232 E N 1.186 121.362 120.200 -0.039 0.000 2.072 232 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 232 E C 1.573 178.172 176.600 -0.001 0.000 0.982 232 E CA 1.015 57.414 56.400 -0.002 0.000 0.803 232 E CB 0.163 29.878 29.700 0.026 0.000 0.755 232 E HN 0.653 nan 8.360 nan 0.000 0.453 233 T N 1.438 116.001 114.554 0.016 0.000 2.759 233 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 233 T C 1.913 176.600 174.700 -0.021 0.000 1.042 233 T CA 1.086 63.195 62.100 0.015 0.000 1.140 233 T CB -0.145 68.751 68.868 0.047 0.000 0.864 233 T HN 0.166 nan 8.240 nan 0.000 0.455 234 I N 0.657 121.201 120.570 -0.043 0.000 2.286 234 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 234 I C 2.734 178.786 176.117 -0.109 0.000 1.104 234 I CA 1.136 62.384 61.300 -0.085 0.000 1.397 234 I CB -0.266 37.677 38.000 -0.095 0.000 1.072 234 I HN 0.137 nan 8.210 nan 0.000 0.417 235 R N 0.853 121.299 120.500 -0.090 0.000 2.083 235 R HA -0.204 4.136 4.340 -0.000 0.000 0.237 235 R C 2.141 178.392 176.300 -0.081 0.000 1.137 235 R CA 1.648 57.686 56.100 -0.104 0.000 0.951 235 R CB -0.433 29.828 30.300 -0.066 0.000 0.851 235 R HN 0.442 nan 8.270 nan 0.000 0.434 236 E N 0.282 120.452 120.200 -0.049 0.000 2.038 236 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 236 E C 2.068 178.642 176.600 -0.042 0.000 1.000 236 E CA 0.907 57.286 56.400 -0.036 0.000 0.803 236 E CB -0.001 29.688 29.700 -0.018 0.000 0.750 236 E HN 0.224 nan 8.360 nan 0.000 0.448 237 E N 0.575 120.747 120.200 -0.048 0.000 2.047 237 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 237 E C 2.198 178.763 176.600 -0.060 0.000 0.987 237 E CA 0.499 56.873 56.400 -0.044 0.000 0.799 237 E CB -0.422 29.248 29.700 -0.051 0.000 0.752 237 E HN 0.107 nan 8.360 nan 0.000 0.449 238 V N 0.927 120.782 119.914 -0.097 0.000 2.490 238 V HA -0.236 3.884 4.120 -0.000 0.000 0.250 238 V C 1.950 177.987 176.094 -0.096 0.000 1.061 238 V CA 2.348 64.580 62.300 -0.114 0.000 1.064 238 V CB -0.512 31.202 31.823 -0.182 0.000 0.670 238 V HN 0.281 nan 8.190 nan 0.000 0.461 239 T N -0.090 114.411 114.554 -0.089 0.000 2.622 239 T HA -0.253 4.097 4.350 -0.000 0.000 0.266 239 T C 1.908 176.571 174.700 -0.062 0.000 1.047 239 T CA 2.101 64.158 62.100 -0.072 0.000 1.159 239 T CB -0.339 68.495 68.868 -0.056 0.000 0.863 239 T HN 0.486 nan 8.240 nan 0.000 0.422 240 K N 0.610 120.980 120.400 -0.050 0.000 2.113 240 K HA -0.175 4.144 4.320 -0.000 0.000 0.208 240 K C 2.415 178.973 176.600 -0.069 0.000 1.047 240 K CA 1.475 57.734 56.287 -0.047 0.000 0.928 240 K CB -0.060 32.429 32.500 -0.019 0.000 0.716 240 K HN 0.459 nan 8.250 nan 0.000 0.446 241 Q N -0.081 119.697 119.800 -0.037 0.000 2.212 241 Q HA -0.039 4.300 4.340 -0.000 0.000 0.199 241 Q C 2.211 178.158 176.000 -0.089 0.000 0.950 241 Q CA 0.692 56.493 55.803 -0.004 0.000 0.863 241 Q CB 0.112 28.923 28.738 0.122 0.000 0.944 241 Q HN 0.279 nan 8.270 nan 0.000 0.465 242 L N 0.053 121.230 121.223 -0.077 0.000 2.027 242 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 242 L C 2.444 179.248 176.870 -0.111 0.000 1.074 242 L CA 1.230 56.021 54.840 -0.081 0.000 0.745 242 L CB -0.666 41.354 42.059 -0.064 0.000 0.898 242 L HN 0.178 nan 8.230 nan 0.000 0.433 243 T N 0.059 114.546 114.554 -0.111 0.000 2.624 243 T HA -0.294 4.056 4.350 -0.000 0.000 0.268 243 T C 1.958 176.542 174.700 -0.193 0.000 1.041 243 T CA 1.667 63.694 62.100 -0.120 0.000 1.159 243 T CB -0.364 68.447 68.868 -0.096 0.000 0.863 243 T HN 0.475 nan 8.240 nan 0.000 0.434 244 A N 1.389 124.019 122.820 -0.315 0.000 2.024 244 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 244 A C 2.026 179.290 177.584 -0.533 0.000 1.164 244 A CA 1.564 53.263 52.037 -0.564 0.000 0.643 244 A CB -0.515 17.805 19.000 -1.132 0.000 0.806 244 A HN 0.422 nan 8.150 nan 0.000 0.451 245 N N -1.193 117.295 118.700 -0.354 0.000 2.268 245 N HA 0.236 4.976 4.740 -0.000 0.000 0.204 245 N C 0.846 176.295 175.510 -0.101 0.000 1.124 245 N CA 0.968 53.909 53.050 -0.181 0.000 0.838 245 N CB 0.201 38.643 38.487 -0.076 0.000 0.994 245 N HN 0.551 nan 8.380 nan 0.000 0.489 246 G N 0.029 108.763 108.800 -0.109 0.000 2.144 246 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.218 246 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.218 246 G C -0.059 174.818 174.900 -0.039 0.000 0.988 246 G CA -0.202 44.860 45.100 -0.064 0.000 0.659 246 G HN 0.281 nan 8.290 nan 0.000 0.522 247 I N 1.283 121.828 120.570 -0.042 0.000 2.342 247 I HA 0.307 4.477 4.170 -0.000 0.000 0.291 247 I C 0.612 176.713 176.117 -0.026 0.000 1.010 247 I CA -0.444 60.845 61.300 -0.018 0.000 1.308 247 I CB 1.418 39.411 38.000 -0.011 0.000 1.400 247 I HN 0.186 nan 8.210 nan 0.000 0.488 248 E N 7.098 127.290 120.200 -0.014 0.000 2.194 248 E HA 0.282 4.632 4.350 -0.000 0.000 0.284 248 E C -0.852 175.741 176.600 -0.011 0.000 1.035 248 E CA -0.525 55.863 56.400 -0.020 0.000 0.836 248 E CB 0.791 30.480 29.700 -0.019 0.000 1.070 248 E HN 0.409 nan 8.360 nan 0.000 0.401 249 I N 6.078 126.638 120.570 -0.018 0.000 2.330 249 I HA 0.175 4.345 4.170 -0.000 0.000 0.286 249 I C -0.020 176.091 176.117 -0.011 0.000 1.025 249 I CA -0.325 60.973 61.300 -0.004 0.000 1.197 249 I CB 0.899 38.894 38.000 -0.008 0.000 1.358 249 I HN 0.595 nan 8.210 nan 0.000 0.467 250 M N 6.386 125.979 119.600 -0.011 0.000 2.094 250 M HA 0.171 4.651 4.480 -0.000 0.000 0.348 250 M C 0.416 176.706 176.300 -0.016 0.000 1.267 250 M CA -0.284 54.982 55.300 -0.057 0.000 1.125 250 M CB 0.871 33.390 32.600 -0.135 0.000 1.527 250 M HN 0.554 nan 8.290 nan 0.000 0.447 251 T N -0.332 114.213 114.554 -0.016 0.000 2.899 251 T HA 0.317 4.667 4.350 -0.000 0.000 0.284 251 T C 0.731 175.395 174.700 -0.060 0.000 1.004 251 T CA -0.805 61.301 62.100 0.009 0.000 1.043 251 T CB 0.790 69.676 68.868 0.030 0.000 1.013 251 T HN 0.747 nan 8.240 nan 0.000 0.518 252 N N 0.829 119.470 118.700 -0.099 0.000 2.721 252 N HA -0.141 4.599 4.740 -0.000 0.000 0.249 252 N C -0.729 174.722 175.510 -0.099 0.000 1.072 252 N CA 0.965 53.943 53.050 -0.120 0.000 0.710 252 N CB -0.697 37.738 38.487 -0.087 0.000 0.993 252 N HN 0.742 nan 8.380 nan 0.000 0.547 253 E N 0.360 120.512 120.200 -0.081 0.000 2.340 253 E HA 0.562 4.912 4.350 -0.000 0.000 0.273 253 E C -0.678 176.018 176.600 0.161 0.000 0.891 253 E CA -0.603 55.779 56.400 -0.031 0.000 0.757 253 E CB 2.284 31.815 29.700 -0.282 0.000 1.231 253 E HN 0.253 nan 8.360 nan 0.000 0.439 254 N N 1.497 120.419 118.700 0.371 0.000 2.554 254 N HA 0.301 5.041 4.740 -0.000 0.000 0.271 254 N C -3.074 172.528 175.510 0.154 0.000 1.081 254 N CA -1.295 51.903 53.050 0.246 0.000 0.994 254 N CB 1.957 40.495 38.487 0.085 0.000 1.641 254 N HN -0.008 nan 8.380 nan 0.000 0.511 255 P HA 0.165 nan 4.420 nan 0.000 0.267 255 P C -0.385 176.821 177.300 -0.157 0.000 1.205 255 P CA 0.045 62.924 63.100 -0.367 0.000 0.765 255 P CB 1.016 32.503 31.700 -0.356 0.000 0.828 256 A N 4.618 127.356 122.820 -0.136 0.000 1.997 256 A HA 0.075 4.395 4.320 -0.000 0.000 0.212 256 A C 0.723 178.267 177.584 -0.067 0.000 1.178 256 A CA 1.179 53.178 52.037 -0.063 0.000 0.698 256 A CB -0.212 18.773 19.000 -0.025 0.000 0.842 256 A HN 0.573 nan 8.150 nan 0.000 0.458 257 K N -1.631 118.707 120.400 -0.102 0.000 2.579 257 K HA 0.624 4.943 4.320 -0.000 0.000 0.284 257 K C -2.004 174.529 176.600 -0.112 0.000 0.990 257 K CA -0.660 55.581 56.287 -0.076 0.000 0.880 257 K CB 1.609 34.091 32.500 -0.030 0.000 1.488 257 K HN -0.070 nan 8.250 nan 0.000 0.425 258 V N 1.164 121.042 119.914 -0.059 0.000 2.823 258 V HA 0.587 4.707 4.120 -0.000 0.000 0.312 258 V C -0.808 175.288 176.094 0.004 0.000 1.072 258 V CA -0.581 61.689 62.300 -0.049 0.000 0.937 258 V CB 1.919 33.721 31.823 -0.035 0.000 1.013 258 V HN 1.012 nan 8.190 nan 0.000 0.430 259 S N 3.028 118.723 115.700 -0.009 0.000 2.595 259 S HA 0.690 5.160 4.470 -0.000 0.000 0.281 259 S C -0.975 173.527 174.600 -0.163 0.000 1.117 259 S CA -0.801 57.361 58.200 -0.063 0.000 0.873 259 S CB 1.804 65.000 63.200 -0.007 0.000 1.108 259 S HN 0.614 nan 8.310 nan 0.000 0.477 260 L N 2.414 123.437 121.223 -0.333 0.000 2.360 260 L HA 0.320 4.660 4.340 -0.000 0.000 0.276 260 L C -0.467 176.313 176.870 -0.151 0.000 1.121 260 L CA -0.348 54.303 54.840 -0.315 0.000 0.845 260 L CB 0.320 42.136 42.059 -0.404 0.000 1.143 260 L HN 0.702 nan 8.230 nan 0.000 0.452 261 N N 1.463 120.103 118.700 -0.101 0.000 2.515 261 N HA 0.102 4.841 4.740 -0.000 0.000 0.279 261 N C 1.198 176.668 175.510 -0.066 0.000 1.164 261 N CA 0.110 53.114 53.050 -0.077 0.000 0.982 261 N CB 1.542 39.998 38.487 -0.052 0.000 1.170 261 N HN 0.603 nan 8.380 nan 0.000 0.474 262 T N -2.144 112.376 114.554 -0.057 0.000 2.778 262 T HA -0.229 4.120 4.350 -0.000 0.000 0.269 262 T C 0.886 175.567 174.700 -0.031 0.000 1.050 262 T CA 1.526 63.602 62.100 -0.041 0.000 1.137 262 T CB -0.255 68.591 68.868 -0.036 0.000 0.860 262 T HN 0.616 nan 8.240 nan 0.000 0.468 263 D N 0.876 121.257 120.400 -0.031 0.000 2.349 263 D HA 0.240 4.880 4.640 -0.000 0.000 0.224 263 D C 1.681 177.969 176.300 -0.020 0.000 1.029 263 D CA 0.691 54.678 54.000 -0.022 0.000 0.879 263 D CB -0.739 40.049 40.800 -0.020 0.000 0.906 263 D HN 0.675 nan 8.370 nan 0.000 0.528 264 G N -0.201 108.583 108.800 -0.027 0.000 2.213 264 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.236 264 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.236 264 G C 0.520 175.404 174.900 -0.028 0.000 0.991 264 G CA 0.377 45.464 45.100 -0.022 0.000 0.629 264 G HN 0.818 nan 8.290 nan 0.000 0.517 265 S N 0.154 115.835 115.700 -0.031 0.000 2.641 265 S HA 0.736 5.206 4.470 -0.000 0.000 0.261 265 S C -0.035 174.544 174.600 -0.036 0.000 1.257 265 S CA -0.145 58.036 58.200 -0.031 0.000 0.983 265 S CB 1.472 64.657 63.200 -0.024 0.000 0.990 265 S HN 0.392 nan 8.310 nan 0.000 0.572 266 K N 0.902 121.287 120.400 -0.026 0.000 2.324 266 K HA 0.324 4.643 4.320 -0.000 0.000 0.253 266 K C -1.436 175.180 176.600 0.026 0.000 0.932 266 K CA -0.472 55.801 56.287 -0.023 0.000 0.799 266 K CB 1.381 33.860 32.500 -0.036 0.000 1.154 266 K HN 0.858 nan 8.250 nan 0.000 0.425 267 H N 1.266 120.289 119.070 -0.080 0.000 2.556 267 H HA 0.347 4.903 4.556 -0.000 0.000 0.310 267 H C -1.014 174.266 175.328 -0.080 0.000 1.057 267 H CA -0.476 55.534 56.048 -0.063 0.000 1.264 267 H CB 0.608 30.336 29.762 -0.056 0.000 1.404 267 H HN 0.208 nan 8.280 nan 0.000 0.462 268 V N 5.422 125.093 119.914 -0.405 0.000 2.427 268 V HA 0.321 4.441 4.120 -0.000 0.000 0.286 268 V C 0.145 175.943 176.094 -0.494 0.000 1.034 268 V CA -0.707 61.340 62.300 -0.422 0.000 0.893 268 V CB 1.622 33.180 31.823 -0.442 0.000 0.982 268 V HN 0.865 nan 8.190 nan 0.000 0.452 269 T N 5.477 119.796 114.554 -0.392 0.000 2.770 269 T HA 0.620 4.970 4.350 -0.000 0.000 0.283 269 T C -0.380 174.164 174.700 -0.260 0.000 0.988 269 T CA -0.095 61.870 62.100 -0.225 0.000 0.957 269 T CB 0.521 69.329 68.868 -0.101 0.000 0.930 269 T HN 0.285 nan 8.240 nan 0.000 0.443 270 F N 1.058 120.965 119.950 -0.072 0.000 2.375 270 F HA 0.290 4.817 4.527 -0.000 0.000 0.313 270 F C 2.007 177.786 175.800 -0.036 0.000 1.176 270 F CA -0.655 57.315 58.000 -0.049 0.000 1.142 270 F CB 0.645 39.617 39.000 -0.047 0.000 1.275 270 F HN 0.625 nan 8.300 nan 0.000 0.544 271 E N 0.072 120.373 120.200 0.167 0.000 2.160 271 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 271 E C 2.051 178.694 176.600 0.073 0.000 0.991 271 E CA 1.556 58.006 56.400 0.083 0.000 0.810 271 E CB -0.089 29.648 29.700 0.061 0.000 0.742 271 E HN 0.622 nan 8.360 nan 0.000 0.466 272 S N -1.286 114.469 115.700 0.092 0.000 2.489 272 S HA 0.063 4.533 4.470 -0.000 0.000 0.228 272 S C 1.662 176.287 174.600 0.042 0.000 0.995 272 S CA 0.732 58.957 58.200 0.041 0.000 0.934 272 S CB 0.491 63.692 63.200 0.001 0.000 0.771 272 S HN 0.397 nan 8.310 nan 0.000 0.522 273 G N 0.889 109.735 108.800 0.075 0.000 2.259 273 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 273 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 273 G C 0.061 175.007 174.900 0.076 0.000 1.001 273 G CA -0.111 45.026 45.100 0.061 0.000 0.627 273 G HN 0.567 nan 8.290 nan 0.000 0.501 274 K N 1.590 122.038 120.400 0.079 0.000 2.455 274 K HA 0.421 4.741 4.320 -0.000 0.000 0.269 274 K C 0.640 177.359 176.600 0.198 0.000 0.972 274 K CA 1.262 57.597 56.287 0.080 0.000 0.938 274 K CB 0.312 32.783 32.500 -0.048 0.000 0.931 274 K HN 0.525 nan 8.250 nan 0.000 0.507 275 T N -0.768 113.864 114.554 0.130 0.000 2.906 275 T HA 0.672 5.021 4.350 -0.000 0.000 0.295 275 T C -1.153 173.594 174.700 0.078 0.000 1.061 275 T CA -1.055 61.073 62.100 0.045 0.000 1.000 275 T CB 1.367 70.210 68.868 -0.043 0.000 1.103 275 T HN 0.335 nan 8.240 nan 0.000 0.486 276 L N 1.192 122.416 121.223 0.001 0.000 2.526 276 L HA 0.561 4.901 4.340 -0.000 0.000 0.263 276 L C -1.907 174.956 176.870 -0.012 0.000 0.943 276 L CA -0.389 54.482 54.840 0.053 0.000 0.859 276 L CB 2.299 44.464 42.059 0.177 0.000 1.313 276 L HN 0.731 nan 8.230 nan 0.000 0.406 277 D N 3.922 124.355 120.400 0.054 0.000 2.249 277 D HA 0.623 5.263 4.640 -0.000 0.000 0.246 277 D C -0.409 175.900 176.300 0.016 0.000 1.114 277 D CA 0.254 54.293 54.000 0.065 0.000 0.854 277 D CB 1.843 42.702 40.800 0.098 0.000 1.132 277 D HN 0.431 nan 8.370 nan 0.000 0.461 278 V N -0.767 119.141 119.914 -0.010 0.000 3.159 278 V HA 0.419 4.539 4.120 -0.000 0.000 0.308 278 V C 0.358 176.419 176.094 -0.056 0.000 1.190 278 V CA -0.837 61.440 62.300 -0.039 0.000 1.037 278 V CB 2.382 34.174 31.823 -0.052 0.000 1.060 278 V HN 0.193 nan 8.190 nan 0.000 0.437 279 D N 0.421 120.769 120.400 -0.086 0.000 2.194 279 D HA 0.135 4.774 4.640 -0.000 0.000 0.204 279 D C 0.366 176.604 176.300 -0.104 0.000 0.964 279 D CA 1.439 55.384 54.000 -0.091 0.000 0.846 279 D CB 0.803 41.536 40.800 -0.112 0.000 0.962 279 D HN 0.371 nan 8.370 nan 0.000 0.490 280 V N 1.077 120.904 119.914 -0.146 0.000 2.733 280 V HA 0.220 4.340 4.120 -0.000 0.000 0.306 280 V C -0.546 175.456 176.094 -0.153 0.000 1.084 280 V CA -0.819 61.385 62.300 -0.160 0.000 0.905 280 V CB 3.001 34.672 31.823 -0.254 0.000 1.010 280 V HN -0.271 nan 8.190 nan 0.000 0.424 281 V N 5.614 125.465 119.914 -0.105 0.000 2.347 281 V HA 0.488 4.607 4.120 -0.000 0.000 0.280 281 V C 0.002 176.044 176.094 -0.086 0.000 1.021 281 V CA -0.319 61.928 62.300 -0.089 0.000 0.847 281 V CB 1.539 33.319 31.823 -0.072 0.000 0.990 281 V HN 0.875 nan 8.190 nan 0.000 0.444 282 M N 6.318 125.869 119.600 -0.080 0.000 2.066 282 M HA 0.494 4.974 4.480 -0.000 0.000 0.340 282 M C -0.868 175.404 176.300 -0.046 0.000 1.053 282 M CA -0.544 54.708 55.300 -0.080 0.000 0.983 282 M CB 1.137 33.687 32.600 -0.082 0.000 1.520 282 M HN 0.476 nan 8.290 nan 0.000 0.428 283 M N 3.998 123.565 119.600 -0.054 0.000 2.146 283 M HA 0.285 4.765 4.480 -0.000 0.000 0.352 283 M C -0.018 176.267 176.300 -0.026 0.000 1.343 283 M CA 0.118 55.402 55.300 -0.026 0.000 1.115 283 M CB 0.650 33.233 32.600 -0.028 0.000 1.657 283 M HN 0.777 nan 8.290 nan 0.000 0.471 284 A N 5.082 127.912 122.820 0.016 0.000 3.253 284 A HA 0.450 4.770 4.320 -0.000 0.000 0.290 284 A C 0.595 178.223 177.584 0.073 0.000 0.950 284 A CA -0.471 51.587 52.037 0.035 0.000 0.986 284 A CB -0.510 18.526 19.000 0.060 0.000 1.104 284 A HN 0.925 nan 8.150 nan 0.000 0.481 285 I N -3.409 117.199 120.570 0.063 0.000 3.928 285 I HA 0.645 4.815 4.170 -0.000 0.000 0.335 285 I C 0.550 176.721 176.117 0.090 0.000 1.325 285 I CA 0.261 61.614 61.300 0.087 0.000 1.107 285 I CB 0.453 38.499 38.000 0.076 0.000 1.014 285 I HN 0.449 nan 8.210 nan 0.000 0.400 286 G N 1.000 109.848 108.800 0.081 0.000 2.361 286 G HA2 0.257 4.217 3.960 -0.000 0.000 0.305 286 G HA3 0.257 4.217 3.960 -0.000 0.000 0.305 286 G C -1.585 173.355 174.900 0.066 0.000 1.367 286 G CA -1.175 43.976 45.100 0.084 0.000 0.951 286 G HN 0.195 nan 8.290 nan 0.000 0.615 287 R N -0.279 120.263 120.500 0.070 0.000 2.575 287 R HA 0.637 4.977 4.340 -0.000 0.000 0.293 287 R C 0.022 176.379 176.300 0.095 0.000 0.983 287 R CA -0.823 55.323 56.100 0.076 0.000 0.887 287 R CB 1.958 32.296 30.300 0.063 0.000 1.184 287 R HN 0.762 nan 8.270 nan 0.000 0.445 288 I N -0.686 119.962 120.570 0.130 0.000 2.562 288 I HA 0.613 4.783 4.170 -0.000 0.000 0.301 288 I C -2.513 173.690 176.117 0.145 0.000 1.003 288 I CA -3.282 58.093 61.300 0.125 0.000 1.127 288 I CB 2.023 40.094 38.000 0.119 0.000 1.304 288 I HN 0.262 nan 8.210 nan 0.000 0.446 289 P HA 0.065 nan 4.420 nan 0.000 0.263 289 P C -0.820 176.537 177.300 0.094 0.000 1.195 289 P CA 0.062 63.217 63.100 0.092 0.000 0.762 289 P CB 0.317 32.056 31.700 0.063 0.000 0.799 290 R N 2.641 123.199 120.500 0.095 0.000 2.893 290 R HA 0.094 4.433 4.340 -0.000 0.000 0.243 290 R C 0.937 177.251 176.300 0.023 0.000 1.481 290 R CA 0.276 56.410 56.100 0.057 0.000 1.250 290 R CB -0.392 29.941 30.300 0.056 0.000 1.213 290 R HN 0.553 nan 8.270 nan 0.000 0.609 291 T N -2.141 112.424 114.554 0.018 0.000 2.990 291 T HA 0.020 4.370 4.350 -0.000 0.000 0.249 291 T C 1.422 176.119 174.700 -0.005 0.000 1.039 291 T CA -0.104 62.003 62.100 0.011 0.000 1.036 291 T CB 0.143 69.021 68.868 0.016 0.000 0.994 291 T HN 0.270 nan 8.240 nan 0.000 0.489 292 N N 1.984 120.673 118.700 -0.019 0.000 2.381 292 N HA -0.070 4.670 4.740 -0.000 0.000 0.182 292 N C 0.507 175.991 175.510 -0.042 0.000 1.025 292 N CA 1.120 54.152 53.050 -0.031 0.000 0.888 292 N CB -0.035 38.428 38.487 -0.040 0.000 0.965 292 N HN 0.523 nan 8.380 nan 0.000 0.438 293 D N -0.069 120.308 120.400 -0.037 0.000 2.369 293 D HA 0.066 4.705 4.640 -0.000 0.000 0.211 293 D C 1.645 177.943 176.300 -0.003 0.000 1.077 293 D CA -0.079 53.901 54.000 -0.034 0.000 0.842 293 D CB 0.371 41.166 40.800 -0.008 0.000 0.947 293 D HN 0.259 nan 8.370 nan 0.000 0.509 294 L N 0.349 121.571 121.223 -0.002 0.000 2.465 294 L HA -0.063 4.277 4.340 -0.000 0.000 0.224 294 L C 0.268 177.131 176.870 -0.012 0.000 1.145 294 L CA 0.343 55.183 54.840 -0.001 0.000 0.834 294 L CB -0.193 41.867 42.059 0.000 0.000 0.944 294 L HN -0.154 nan 8.230 nan 0.000 0.451 295 Q N -0.388 119.401 119.800 -0.019 0.000 2.451 295 Q HA -0.222 4.118 4.340 -0.000 0.000 0.305 295 Q C 0.989 176.977 176.000 -0.020 0.000 1.345 295 Q CA 0.651 56.440 55.803 -0.023 0.000 0.854 295 Q CB -2.164 26.558 28.738 -0.027 0.000 1.162 295 Q HN 0.489 nan 8.270 nan 0.000 0.440 296 L N -1.801 119.413 121.223 -0.016 0.000 2.450 296 L HA -0.129 4.210 4.340 -0.000 0.000 0.224 296 L C 2.087 178.947 176.870 -0.016 0.000 1.149 296 L CA 1.313 56.144 54.840 -0.015 0.000 0.816 296 L CB -0.239 41.814 42.059 -0.009 0.000 0.932 296 L HN 0.503 nan 8.230 nan 0.000 0.449 297 G N -0.236 108.554 108.800 -0.017 0.000 2.484 297 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.218 297 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.218 297 G C 1.317 176.206 174.900 -0.018 0.000 1.130 297 G CA 0.276 45.366 45.100 -0.016 0.000 0.784 297 G HN 0.374 nan 8.290 nan 0.000 0.543 298 N N 0.534 119.222 118.700 -0.021 0.000 2.270 298 N HA -0.087 4.652 4.740 -0.000 0.000 0.181 298 N C 2.298 177.793 175.510 -0.024 0.000 1.016 298 N CA 1.608 54.644 53.050 -0.022 0.000 0.870 298 N CB -0.185 38.287 38.487 -0.024 0.000 0.979 298 N HN 0.421 nan 8.380 nan 0.000 0.431 299 V N -4.331 115.568 119.914 -0.025 0.000 3.085 299 V HA 0.500 4.619 4.120 -0.000 0.000 0.245 299 V C 1.339 177.418 176.094 -0.025 0.000 1.114 299 V CA 0.547 62.830 62.300 -0.028 0.000 1.108 299 V CB -0.485 31.317 31.823 -0.036 0.000 0.798 299 V HN 0.222 nan 8.190 nan 0.000 0.471 300 G N 0.921 109.708 108.800 -0.021 0.000 2.142 300 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.225 300 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.225 300 G C -0.006 174.885 174.900 -0.016 0.000 1.015 300 G CA -0.018 45.072 45.100 -0.016 0.000 0.716 300 G HN 0.725 nan 8.290 nan 0.000 0.508 301 V N 0.301 120.204 119.914 -0.018 0.000 2.617 301 V HA 0.187 4.307 4.120 -0.000 0.000 0.304 301 V C 1.120 177.211 176.094 -0.005 0.000 1.040 301 V CA 0.646 62.937 62.300 -0.014 0.000 1.149 301 V CB 1.245 33.058 31.823 -0.016 0.000 0.914 301 V HN 0.437 nan 8.190 nan 0.000 0.487 302 K N 4.610 125.011 120.400 0.000 0.000 2.201 302 K HA 0.531 4.851 4.320 -0.000 0.000 0.278 302 K C -0.486 176.119 176.600 0.009 0.000 1.027 302 K CA -0.478 55.812 56.287 0.004 0.000 0.909 302 K CB 0.757 33.261 32.500 0.006 0.000 1.062 302 K HN 0.546 nan 8.250 nan 0.000 0.465 303 L N 1.952 123.180 121.223 0.009 0.000 2.448 303 L HA 0.392 4.732 4.340 -0.000 0.000 0.258 303 L C 0.867 177.745 176.870 0.012 0.000 1.104 303 L CA -0.758 54.089 54.840 0.012 0.000 0.800 303 L CB 1.379 43.445 42.059 0.012 0.000 1.241 303 L HN 0.775 nan 8.230 nan 0.000 0.472 304 T N -3.520 111.042 114.554 0.014 0.000 2.923 304 T HA 0.361 4.710 4.350 -0.000 0.000 0.281 304 T C -1.684 173.024 174.700 0.013 0.000 0.995 304 T CA -1.610 60.497 62.100 0.012 0.000 0.985 304 T CB 1.433 70.307 68.868 0.010 0.000 1.114 304 T HN 0.415 nan 8.240 nan 0.000 0.548 305 P HA -0.097 nan 4.420 nan 0.000 0.215 305 P C 1.272 178.582 177.300 0.017 0.000 1.157 305 P CA 1.260 64.368 63.100 0.013 0.000 0.868 305 P CB 0.084 31.791 31.700 0.012 0.000 0.788 306 K N -1.325 119.085 120.400 0.017 0.000 2.280 306 K HA -0.025 4.295 4.320 -0.000 0.000 0.202 306 K C 1.500 178.117 176.600 0.027 0.000 1.047 306 K CA 1.301 57.602 56.287 0.022 0.000 0.942 306 K CB -0.345 32.166 32.500 0.019 0.000 0.739 306 K HN 0.356 nan 8.250 nan 0.000 0.457 307 G N -0.392 108.423 108.800 0.025 0.000 2.336 307 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.194 307 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.194 307 G C 0.297 175.215 174.900 0.029 0.000 0.999 307 G CA -0.269 44.848 45.100 0.029 0.000 0.669 307 G HN 0.499 nan 8.290 nan 0.000 0.482 308 G N -0.240 108.576 108.800 0.028 0.000 2.502 308 G HA2 0.605 4.565 3.960 -0.000 0.000 0.305 308 G HA3 0.605 4.565 3.960 -0.000 0.000 0.305 308 G C 0.270 175.184 174.900 0.024 0.000 1.190 308 G CA 0.065 45.183 45.100 0.029 0.000 0.933 308 G HN 0.865 nan 8.290 nan 0.000 0.503 309 V N 0.732 120.662 119.914 0.028 0.000 2.599 309 V HA 0.023 4.142 4.120 -0.000 0.000 0.300 309 V C 0.845 176.955 176.094 0.027 0.000 1.034 309 V CA 0.208 62.525 62.300 0.027 0.000 1.115 309 V CB 0.954 32.796 31.823 0.033 0.000 0.934 309 V HN 0.773 nan 8.190 nan 0.000 0.485 310 Q N 3.257 123.071 119.800 0.024 0.000 2.313 310 Q HA 0.468 4.807 4.340 -0.000 0.000 0.266 310 Q C -0.492 175.531 176.000 0.038 0.000 0.989 310 Q CA -0.203 55.614 55.803 0.025 0.000 0.890 310 Q CB 1.327 30.077 28.738 0.021 0.000 1.200 310 Q HN 0.802 nan 8.270 nan 0.000 0.396 311 V N 0.345 120.284 119.914 0.042 0.000 3.130 311 V HA 0.581 4.701 4.120 -0.000 0.000 0.310 311 V C -0.883 175.250 176.094 0.064 0.000 1.158 311 V CA -1.099 61.241 62.300 0.066 0.000 1.029 311 V CB 1.960 33.834 31.823 0.084 0.000 1.057 311 V HN 0.902 nan 8.190 nan 0.000 0.436 312 D N 0.306 120.763 120.400 0.095 0.000 2.451 312 D HA 0.264 4.904 4.640 -0.000 0.000 0.259 312 D C 0.730 177.076 176.300 0.077 0.000 1.201 312 D CA -0.259 53.800 54.000 0.099 0.000 1.028 312 D CB 0.485 41.377 40.800 0.153 0.000 1.095 312 D HN 0.722 nan 8.370 nan 0.000 0.539 313 E N -1.141 119.074 120.200 0.024 0.000 2.401 313 E HA -0.108 4.242 4.350 -0.000 0.000 0.199 313 E C 0.828 177.248 176.600 -0.299 0.000 1.023 313 E CA 0.688 57.011 56.400 -0.129 0.000 0.859 313 E CB -0.412 29.145 29.700 -0.238 0.000 0.780 313 E HN 0.386 nan 8.360 nan 0.000 0.523 314 F N 0.099 120.072 119.950 0.039 0.000 2.727 314 F HA 0.162 4.689 4.527 -0.000 0.000 0.302 314 F C 0.715 176.520 175.800 0.009 0.000 1.097 314 F CA 0.029 58.034 58.000 0.008 0.000 1.330 314 F CB 0.591 39.580 39.000 -0.018 0.000 1.084 314 F HN -0.249 nan 8.300 nan 0.000 0.578 315 S N 0.011 115.806 115.700 0.157 0.000 3.576 315 S HA -0.183 4.287 4.470 -0.000 0.000 0.294 315 S C 0.204 174.942 174.600 0.231 0.000 1.224 315 S CA 0.067 58.358 58.200 0.152 0.000 0.866 315 S CB -1.410 61.859 63.200 0.116 0.000 1.017 315 S HN 0.411 nan 8.310 nan 0.000 0.597 316 R N 1.975 122.626 120.500 0.251 0.000 2.407 316 R HA 0.506 4.845 4.340 -0.000 0.000 0.303 316 R C 0.898 177.302 176.300 0.173 0.000 0.981 316 R CA -0.106 56.185 56.100 0.318 0.000 0.905 316 R CB 0.821 31.303 30.300 0.304 0.000 1.099 316 R HN 0.432 nan 8.270 nan 0.000 0.459 317 T N -1.104 113.515 114.554 0.109 0.000 2.726 317 T HA -0.054 4.296 4.350 -0.000 0.000 0.294 317 T C 1.461 176.178 174.700 0.029 0.000 1.013 317 T CA -0.550 61.575 62.100 0.042 0.000 0.996 317 T CB 0.553 69.416 68.868 -0.008 0.000 1.016 317 T HN 0.758 nan 8.240 nan 0.000 0.529 318 N N -0.046 118.664 118.700 0.016 0.000 2.348 318 N HA -0.111 4.629 4.740 -0.000 0.000 0.185 318 N C 0.162 175.667 175.510 -0.008 0.000 1.019 318 N CA 0.598 53.653 53.050 0.009 0.000 0.880 318 N CB -0.492 37.999 38.487 0.006 0.000 0.965 318 N HN 0.424 nan 8.380 nan 0.000 0.437 319 V N 2.841 122.737 119.914 -0.031 0.000 2.334 319 V HA 0.166 4.286 4.120 -0.000 0.000 0.267 319 V C -1.270 174.770 176.094 -0.090 0.000 1.040 319 V CA -1.343 60.924 62.300 -0.055 0.000 0.866 319 V CB 1.207 32.990 31.823 -0.067 0.000 1.019 319 V HN -0.047 nan 8.190 nan 0.000 0.468 320 P HA -0.267 nan 4.420 nan 0.000 0.232 320 P C 0.834 178.086 177.300 -0.081 0.000 1.135 320 P CA 2.186 65.260 63.100 -0.044 0.000 0.969 320 P CB 0.046 31.724 31.700 -0.036 0.000 0.777 321 N N -2.372 116.197 118.700 -0.218 0.000 2.235 321 N HA 0.124 4.863 4.740 -0.000 0.000 0.231 321 N C -0.076 174.942 175.510 -0.819 0.000 1.177 321 N CA 0.041 52.897 53.050 -0.324 0.000 0.874 321 N CB 0.264 38.624 38.487 -0.211 0.000 1.097 321 N HN 0.205 nan 8.380 nan 0.000 0.518 322 I N 1.433 121.488 120.570 -0.859 0.000 2.406 322 I HA 0.371 4.540 4.170 -0.000 0.000 0.290 322 I C -1.118 174.586 176.117 -0.688 0.000 0.999 322 I CA -0.902 60.014 61.300 -0.641 0.000 1.124 322 I CB 0.923 38.765 38.000 -0.262 0.000 1.289 322 I HN -0.106 nan 8.210 nan 0.000 0.441 323 Y N 4.401 124.735 120.300 0.056 0.000 2.576 323 Y HA 0.823 5.372 4.550 -0.000 0.000 0.346 323 Y C -0.050 175.881 175.900 0.051 0.000 1.018 323 Y CA -1.217 56.914 58.100 0.052 0.000 1.050 323 Y CB 1.753 40.240 38.460 0.046 0.000 1.280 323 Y HN 0.499 nan 8.280 nan 0.000 0.474 324 A N 2.389 125.332 122.820 0.206 0.000 2.393 324 A HA 0.906 5.226 4.320 -0.000 0.000 0.306 324 A C -1.055 176.605 177.584 0.127 0.000 1.050 324 A CA -0.649 51.468 52.037 0.134 0.000 0.724 324 A CB 0.811 19.864 19.000 0.089 0.000 1.248 324 A HN 0.818 nan 8.150 nan 0.000 0.424 325 I N -1.025 119.610 120.570 0.109 0.000 3.174 325 I HA 0.969 5.139 4.170 -0.000 0.000 0.313 325 I C 0.560 176.727 176.117 0.083 0.000 1.155 325 I CA -0.280 61.078 61.300 0.097 0.000 0.977 325 I CB 1.887 39.944 38.000 0.095 0.000 1.248 325 I HN 1.837 nan 8.210 nan 0.000 0.453 326 G N 2.247 111.095 108.800 0.081 0.000 2.553 326 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.242 326 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.242 326 G C -0.013 174.924 174.900 0.062 0.000 1.277 326 G CA 0.624 45.767 45.100 0.071 0.000 0.910 326 G HN 0.837 nan 8.290 nan 0.000 0.576 327 D N -0.274 120.161 120.400 0.059 0.000 2.218 327 D HA -0.019 4.621 4.640 -0.000 0.000 0.204 327 D C 2.321 178.656 176.300 0.059 0.000 0.976 327 D CA 1.034 55.067 54.000 0.056 0.000 0.853 327 D CB -0.072 40.768 40.800 0.066 0.000 0.939 327 D HN 0.457 nan 8.370 nan 0.000 0.481 328 I N 0.543 121.150 120.570 0.062 0.000 2.567 328 I HA -0.220 3.950 4.170 -0.000 0.000 0.257 328 I C 1.720 177.865 176.117 0.047 0.000 1.184 328 I CA 1.305 62.640 61.300 0.058 0.000 1.451 328 I CB 0.058 38.093 38.000 0.057 0.000 1.089 328 I HN 0.069 nan 8.210 nan 0.000 0.441 329 T N -3.859 110.720 114.554 0.043 0.000 3.081 329 T HA 0.038 4.388 4.350 -0.000 0.000 0.250 329 T C 0.992 175.697 174.700 0.009 0.000 1.100 329 T CA 0.525 62.643 62.100 0.030 0.000 1.038 329 T CB -0.031 68.857 68.868 0.034 0.000 0.962 329 T HN 0.388 nan 8.240 nan 0.000 0.516 330 D N 0.712 121.120 120.400 0.013 0.000 3.012 330 D HA -0.184 4.455 4.640 -0.000 0.000 0.222 330 D C 1.057 177.337 176.300 -0.034 0.000 1.167 330 D CA 0.912 54.913 54.000 0.002 0.000 0.854 330 D CB -1.059 39.747 40.800 0.009 0.000 1.107 330 D HN 0.571 nan 8.370 nan 0.000 0.421 331 R N -0.547 119.916 120.500 -0.061 0.000 2.051 331 R HA 0.285 4.624 4.340 -0.000 0.000 0.225 331 R C 0.832 177.069 176.300 -0.104 0.000 1.155 331 R CA 0.576 56.580 56.100 -0.160 0.000 0.945 331 R CB 0.329 30.420 30.300 -0.348 0.000 0.840 331 R HN 0.239 nan 8.270 nan 0.000 0.432 332 L N 1.342 122.547 121.223 -0.030 0.000 2.482 332 L HA 0.369 4.709 4.340 -0.000 0.000 0.269 332 L C -1.100 175.782 176.870 0.019 0.000 0.967 332 L CA -0.342 54.508 54.840 0.016 0.000 0.851 332 L CB 1.946 44.057 42.059 0.087 0.000 1.242 332 L HN 0.220 nan 8.230 nan 0.000 0.404 333 M N 6.647 126.239 119.600 -0.014 0.000 3.237 333 M HA 0.334 4.814 4.480 -0.000 0.000 0.266 333 M C -1.031 175.232 176.300 -0.062 0.000 1.456 333 M CA 0.365 55.648 55.300 -0.027 0.000 1.593 333 M CB -0.248 32.329 32.600 -0.038 0.000 1.129 333 M HN 0.372 nan 8.290 nan 0.000 0.547 334 L N -0.080 121.135 121.223 -0.014 0.000 2.388 334 L HA 0.389 4.729 4.340 -0.000 0.000 0.264 334 L C 1.182 178.066 176.870 0.024 0.000 0.998 334 L CA -0.488 54.348 54.840 -0.006 0.000 0.817 334 L CB 2.400 44.470 42.059 0.018 0.000 1.338 334 L HN 0.312 nan 8.230 nan 0.000 0.414 335 T N 1.380 115.953 114.554 0.031 0.000 2.674 335 T HA -0.060 4.290 4.350 -0.000 0.000 0.265 335 T C -1.164 173.560 174.700 0.040 0.000 1.039 335 T CA 1.767 63.890 62.100 0.038 0.000 1.150 335 T CB -0.449 68.442 68.868 0.039 0.000 0.864 335 T HN 0.461 nan 8.240 nan 0.000 0.427 336 P HA 0.089 nan 4.420 nan 0.000 0.229 336 P C 1.430 178.751 177.300 0.035 0.000 1.160 336 P CA 0.321 63.445 63.100 0.039 0.000 0.777 336 P CB -0.079 31.647 31.700 0.043 0.000 0.814 337 V N 0.435 120.374 119.914 0.042 0.000 2.358 337 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 337 V C 2.442 178.567 176.094 0.053 0.000 1.047 337 V CA 2.225 64.553 62.300 0.047 0.000 1.035 337 V CB -1.548 30.323 31.823 0.080 0.000 0.658 337 V HN 0.097 nan 8.190 nan 0.000 0.452 338 A N -0.448 122.405 122.820 0.055 0.000 2.019 338 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 338 A C 2.129 179.744 177.584 0.053 0.000 1.164 338 A CA 1.702 53.774 52.037 0.058 0.000 0.644 338 A CB -0.494 18.538 19.000 0.054 0.000 0.805 338 A HN 0.533 nan 8.150 nan 0.000 0.449 339 I N -0.430 120.167 120.570 0.044 0.000 2.333 339 I HA -0.184 3.985 4.170 -0.000 0.000 0.246 339 I C 2.466 178.609 176.117 0.044 0.000 1.106 339 I CA 1.046 62.371 61.300 0.043 0.000 1.411 339 I CB -0.283 37.736 38.000 0.032 0.000 1.082 339 I HN 0.430 nan 8.210 nan 0.000 0.420 340 N N 0.991 119.708 118.700 0.030 0.000 2.142 340 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 340 N C 1.708 177.227 175.510 0.015 0.000 1.023 340 N CA 1.403 54.462 53.050 0.015 0.000 0.852 340 N CB 0.100 38.579 38.487 -0.014 0.000 0.998 340 N HN 0.405 nan 8.380 nan 0.000 0.424 341 E N -0.193 120.021 120.200 0.024 0.000 2.058 341 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 341 E C 1.981 178.611 176.600 0.050 0.000 0.997 341 E CA 1.145 57.568 56.400 0.038 0.000 0.801 341 E CB -0.344 29.401 29.700 0.075 0.000 0.746 341 E HN 0.448 nan 8.360 nan 0.000 0.450 342 G N 1.423 110.261 108.800 0.064 0.000 2.459 342 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 342 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 342 G C 1.746 176.697 174.900 0.084 0.000 1.183 342 G CA 1.163 46.311 45.100 0.080 0.000 0.776 342 G HN 0.362 nan 8.290 nan 0.000 0.552 343 A N 1.222 124.094 122.820 0.086 0.000 1.903 343 A HA 0.086 4.406 4.320 -0.000 0.000 0.219 343 A C 2.830 180.466 177.584 0.087 0.000 1.191 343 A CA 2.840 54.938 52.037 0.102 0.000 0.638 343 A CB -0.936 18.117 19.000 0.088 0.000 0.823 343 A HN 0.945 nan 8.150 nan 0.000 0.451 344 A N -0.825 122.027 122.820 0.052 0.000 1.930 344 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 344 A C 2.187 179.788 177.584 0.029 0.000 1.175 344 A CA 1.570 53.632 52.037 0.041 0.000 0.627 344 A CB -0.597 18.409 19.000 0.010 0.000 0.815 344 A HN 0.801 nan 8.150 nan 0.000 0.443 345 L N -0.119 121.104 121.223 0.000 0.000 2.017 345 L HA -0.101 4.238 4.340 -0.000 0.000 0.208 345 L C 2.178 178.935 176.870 -0.188 0.000 1.073 345 L CA 1.935 56.719 54.840 -0.092 0.000 0.745 345 L CB -0.320 41.686 42.059 -0.088 0.000 0.894 345 L HN 0.117 nan 8.230 nan 0.000 0.432 346 V N -0.113 119.758 119.914 -0.071 0.000 2.913 346 V HA -0.187 3.932 4.120 -0.000 0.000 0.260 346 V C 1.832 177.876 176.094 -0.083 0.000 1.098 346 V CA 1.546 63.822 62.300 -0.040 0.000 1.121 346 V CB -0.823 31.125 31.823 0.209 0.000 0.714 346 V HN 0.477 nan 8.190 nan 0.000 0.487 347 D N -0.448 119.946 120.400 -0.010 0.000 2.249 347 D HA -0.055 4.584 4.640 -0.000 0.000 0.205 347 D C 2.288 178.519 176.300 -0.115 0.000 0.962 347 D CA 1.152 55.154 54.000 0.003 0.000 0.860 347 D CB -0.007 40.862 40.800 0.115 0.000 0.955 347 D HN 0.349 nan 8.370 nan 0.000 0.505 348 T N 0.033 114.503 114.554 -0.139 0.000 2.732 348 T HA -0.049 4.300 4.350 -0.000 0.000 0.261 348 T C 2.167 176.657 174.700 -0.350 0.000 1.040 348 T CA 0.657 62.641 62.100 -0.194 0.000 1.145 348 T CB -0.209 68.577 68.868 -0.137 0.000 0.866 348 T HN -0.073 nan 8.240 nan 0.000 0.427 349 V N 0.834 120.428 119.914 -0.534 0.000 2.231 349 V HA -0.039 4.081 4.120 -0.000 0.000 0.240 349 V C 1.713 177.335 176.094 -0.786 0.000 1.039 349 V CA 1.626 63.434 62.300 -0.821 0.000 0.998 349 V CB -0.548 30.494 31.823 -1.303 0.000 0.639 349 V HN 0.445 nan 8.190 nan 0.000 0.451 350 F N 0.430 120.089 119.950 -0.486 0.000 2.660 350 F HA 0.507 5.034 4.527 -0.000 0.000 0.302 350 F C 1.057 176.366 175.800 -0.818 0.000 1.103 350 F CA 0.047 57.720 58.000 -0.545 0.000 1.340 350 F CB -0.768 37.923 39.000 -0.514 0.000 1.048 350 F HN 0.166 nan 8.300 nan 0.000 0.551 351 G N 0.257 108.709 108.800 -0.579 0.000 2.820 351 G HA2 0.218 4.177 3.960 -0.000 0.000 0.291 351 G HA3 0.218 4.177 3.960 -0.000 0.000 0.291 351 G C 0.438 175.257 174.900 -0.136 0.000 1.323 351 G CA -0.634 44.248 45.100 -0.363 0.000 1.055 351 G HN 0.137 nan 8.290 nan 0.000 0.520 352 N N -1.131 117.555 118.700 -0.024 0.000 2.280 352 N HA 0.070 4.810 4.740 -0.000 0.000 0.192 352 N C 0.134 175.629 175.510 -0.025 0.000 1.109 352 N CA -0.030 53.007 53.050 -0.022 0.000 0.855 352 N CB 0.793 39.289 38.487 0.015 0.000 0.974 352 N HN 0.248 nan 8.380 nan 0.000 0.482 353 K N 2.319 122.707 120.400 -0.020 0.000 2.484 353 K HA 0.371 4.690 4.320 -0.000 0.000 0.226 353 K C -2.791 173.812 176.600 0.004 0.000 1.031 353 K CA -2.258 54.035 56.287 0.010 0.000 1.026 353 K CB 1.188 33.721 32.500 0.054 0.000 1.412 353 K HN -0.052 nan 8.250 nan 0.000 0.492 354 P HA 0.100 nan 4.420 nan 0.000 0.271 354 P C -0.926 176.534 177.300 0.267 0.000 1.233 354 P CA -0.074 63.003 63.100 -0.038 0.000 0.764 354 P CB 0.730 32.259 31.700 -0.285 0.000 0.825 355 R N 3.002 123.726 120.500 0.372 0.000 2.621 355 R HA 0.427 4.767 4.340 -0.000 0.000 0.292 355 R C -0.209 176.173 176.300 0.137 0.000 0.969 355 R CA -0.883 55.373 56.100 0.259 0.000 0.887 355 R CB 1.842 32.211 30.300 0.113 0.000 1.180 355 R HN 0.458 nan 8.270 nan 0.000 0.450 356 K N 0.964 121.283 120.400 -0.136 0.000 2.324 356 K HA 0.405 4.724 4.320 -0.000 0.000 0.253 356 K C -0.884 175.580 176.600 -0.227 0.000 0.932 356 K CA -0.809 55.246 56.287 -0.387 0.000 0.799 356 K CB 2.116 34.134 32.500 -0.805 0.000 1.154 356 K HN 0.189 nan 8.250 nan 0.000 0.425 357 T N 2.028 116.441 114.554 -0.235 0.000 2.901 357 T HA -0.015 4.335 4.350 -0.000 0.000 0.301 357 T C -0.565 173.886 174.700 -0.416 0.000 1.012 357 T CA 0.139 62.060 62.100 -0.299 0.000 1.135 357 T CB 0.464 69.117 68.868 -0.358 0.000 0.936 357 T HN 0.579 nan 8.240 nan 0.000 0.539 358 D N 1.394 121.609 120.400 -0.308 0.000 2.365 358 D HA 0.057 4.696 4.640 -0.000 0.000 0.237 358 D C 0.920 177.058 176.300 -0.271 0.000 1.190 358 D CA -0.331 53.531 54.000 -0.230 0.000 0.867 358 D CB 0.374 41.110 40.800 -0.108 0.000 1.050 358 D HN 0.563 nan 8.370 nan 0.000 0.491 359 H N 1.952 121.011 119.070 -0.020 0.000 2.539 359 H HA 0.064 4.620 4.556 -0.000 0.000 0.267 359 H C 0.640 175.968 175.328 -0.000 0.000 0.982 359 H CA 0.294 56.337 56.048 -0.009 0.000 1.146 359 H CB 0.075 29.830 29.762 -0.012 0.000 1.382 359 H HN 0.388 nan 8.280 nan 0.000 0.577 360 T N -1.278 113.325 114.554 0.081 0.000 2.913 360 T HA 0.291 4.641 4.350 -0.000 0.000 0.287 360 T C 0.600 175.324 174.700 0.039 0.000 1.008 360 T CA -0.807 61.329 62.100 0.060 0.000 1.067 360 T CB 1.577 70.476 68.868 0.052 0.000 0.996 360 T HN 0.313 nan 8.240 nan 0.000 0.513 361 R N -0.560 119.964 120.500 0.041 0.000 3.422 361 R HA -0.091 4.248 4.340 -0.000 0.000 0.267 361 R C -0.680 175.637 176.300 0.029 0.000 1.074 361 R CA 0.277 56.396 56.100 0.031 0.000 0.718 361 R CB -2.482 27.834 30.300 0.027 0.000 1.157 361 R HN 0.551 nan 8.270 nan 0.000 0.440 362 V N 1.067 121.004 119.914 0.038 0.000 2.406 362 V HA 0.507 4.627 4.120 -0.000 0.000 0.272 362 V C 1.048 177.173 176.094 0.051 0.000 1.043 362 V CA -0.116 62.209 62.300 0.041 0.000 0.915 362 V CB 1.488 33.342 31.823 0.050 0.000 0.988 362 V HN 0.417 nan 8.190 nan 0.000 0.466 363 A N 5.036 127.886 122.820 0.050 0.000 2.425 363 A HA 0.729 5.048 4.320 -0.000 0.000 0.249 363 A C 0.496 178.129 177.584 0.082 0.000 1.084 363 A CA 0.332 52.404 52.037 0.059 0.000 0.781 363 A CB 0.370 19.401 19.000 0.052 0.000 1.019 363 A HN 1.220 nan 8.150 nan 0.000 0.490 364 S N -0.092 115.670 115.700 0.103 0.000 2.672 364 S HA 0.869 5.339 4.470 -0.000 0.000 0.271 364 S C -0.658 174.010 174.600 0.114 0.000 1.171 364 S CA -0.179 58.103 58.200 0.137 0.000 0.817 364 S CB 1.247 64.569 63.200 0.204 0.000 1.150 364 S HN 2.307 nan 8.310 nan 0.000 0.478 365 A N 0.263 123.135 122.820 0.086 0.000 2.475 365 A HA 0.787 5.106 4.320 -0.000 0.000 0.301 365 A C -1.271 176.236 177.584 -0.129 0.000 1.059 365 A CA -0.807 51.123 52.037 -0.177 0.000 0.710 365 A CB 1.746 20.395 19.000 -0.586 0.000 1.288 365 A HN 1.302 nan 8.150 nan 0.000 0.408 366 V N 1.873 121.583 119.914 -0.340 0.000 2.328 366 V HA 0.263 4.383 4.120 -0.000 0.000 0.278 366 V C -0.563 175.271 176.094 -0.433 0.000 1.021 366 V CA -0.147 61.939 62.300 -0.357 0.000 0.838 366 V CB 0.258 31.732 31.823 -0.582 0.000 0.999 366 V HN 0.714 nan 8.190 nan 0.000 0.447 367 F N 2.989 122.943 119.950 0.006 0.000 2.600 367 F HA 0.080 4.607 4.527 -0.000 0.000 0.369 367 F C 1.532 177.280 175.800 -0.087 0.000 1.164 367 F CA -0.098 57.880 58.000 -0.037 0.000 1.375 367 F CB -0.927 38.060 39.000 -0.022 0.000 1.633 367 F HN 0.546 nan 8.300 nan 0.000 0.624 368 S N -0.407 115.255 115.700 -0.063 0.000 2.632 368 S HA 0.594 5.064 4.470 -0.000 0.000 0.267 368 S C -0.273 174.291 174.600 -0.060 0.000 1.276 368 S CA -0.797 57.353 58.200 -0.084 0.000 0.998 368 S CB 1.632 64.736 63.200 -0.160 0.000 0.953 368 S HN 0.237 nan 8.310 nan 0.000 0.547 369 I N 2.926 123.461 120.570 -0.058 0.000 2.330 369 I HA 0.335 4.504 4.170 -0.000 0.000 0.286 369 I C -2.074 174.018 176.117 -0.040 0.000 1.025 369 I CA -2.146 59.126 61.300 -0.048 0.000 1.197 369 I CB 1.526 39.498 38.000 -0.047 0.000 1.358 369 I HN 0.536 nan 8.210 nan 0.000 0.467 370 P HA 0.339 nan 4.420 nan 0.000 0.276 370 P C -2.781 174.463 177.300 -0.093 0.000 1.244 370 P CA -1.732 61.334 63.100 -0.058 0.000 0.801 370 P CB 0.375 32.040 31.700 -0.060 0.000 1.006 371 P HA 0.369 nan 4.420 nan 0.000 0.278 371 P C -0.347 176.840 177.300 -0.190 0.000 1.258 371 P CA -0.276 62.744 63.100 -0.133 0.000 0.811 371 P CB 0.972 32.623 31.700 -0.081 0.000 1.063 372 I N 0.069 120.483 120.570 -0.261 0.000 2.525 372 I HA 0.618 4.788 4.170 -0.000 0.000 0.301 372 I C 0.750 176.753 176.117 -0.189 0.000 0.992 372 I CA -0.472 60.681 61.300 -0.245 0.000 1.162 372 I CB 1.977 39.777 38.000 -0.334 0.000 1.332 372 I HN 0.369 nan 8.210 nan 0.000 0.458 373 G N 2.025 110.768 108.800 -0.095 0.000 2.662 373 G HA2 0.621 4.581 3.960 -0.000 0.000 0.302 373 G HA3 0.621 4.581 3.960 -0.000 0.000 0.302 373 G C -1.297 173.629 174.900 0.044 0.000 1.389 373 G CA -0.359 44.725 45.100 -0.027 0.000 0.998 373 G HN 0.507 nan 8.290 nan 0.000 0.502 374 T N -0.724 113.880 114.554 0.084 0.000 2.932 374 T HA 0.524 4.874 4.350 -0.000 0.000 0.318 374 T C -1.671 173.065 174.700 0.060 0.000 1.265 374 T CA -0.423 61.746 62.100 0.114 0.000 1.036 374 T CB 1.523 70.569 68.868 0.297 0.000 1.209 374 T HN 1.076 nan 8.240 nan 0.000 0.484 375 C N 3.678 122.965 119.300 -0.022 0.000 2.505 375 C HA 0.888 5.348 4.460 -0.000 0.000 0.342 375 C C 0.723 175.683 174.990 -0.051 0.000 1.121 375 C CA 1.162 60.170 59.018 -0.017 0.000 1.306 375 C CB -0.281 27.447 27.740 -0.019 0.000 1.897 375 C HN 1.684 nan 8.230 nan 0.000 0.446 376 G N 4.753 113.563 108.800 0.018 0.000 2.587 376 G HA2 -0.068 3.891 3.960 -0.000 0.000 0.212 376 G HA3 -0.068 3.891 3.960 -0.000 0.000 0.212 376 G C -0.904 174.057 174.900 0.102 0.000 1.327 376 G CA -0.418 44.700 45.100 0.032 0.000 0.898 376 G HN 1.052 nan 8.290 nan 0.000 0.551 377 L N 1.042 122.325 121.223 0.100 0.000 2.426 377 L HA 0.466 4.806 4.340 -0.000 0.000 0.271 377 L C 1.507 178.495 176.870 0.197 0.000 1.169 377 L CA -0.498 54.414 54.840 0.119 0.000 0.836 377 L CB 0.480 42.598 42.059 0.098 0.000 1.112 377 L HN 0.667 nan 8.230 nan 0.000 0.465 378 I N -0.710 119.890 120.570 0.050 0.000 2.764 378 I HA 0.111 4.281 4.170 -0.000 0.000 0.294 378 I C 1.439 177.518 176.117 -0.063 0.000 1.045 378 I CA -0.600 60.643 61.300 -0.095 0.000 1.340 378 I CB 0.688 38.569 38.000 -0.197 0.000 1.436 378 I HN 0.791 nan 8.210 nan 0.000 0.567 379 E N 3.189 123.322 120.200 -0.110 0.000 2.118 379 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 379 E C 1.249 177.628 176.600 -0.369 0.000 0.992 379 E CA 1.617 57.874 56.400 -0.239 0.000 0.804 379 E CB -0.421 29.104 29.700 -0.292 0.000 0.741 379 E HN 0.844 nan 8.360 nan 0.000 0.458 380 E N 1.532 121.582 120.200 -0.250 0.000 2.153 380 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 380 E C 2.348 178.887 176.600 -0.101 0.000 0.988 380 E CA 1.114 57.407 56.400 -0.179 0.000 0.811 380 E CB -0.465 29.204 29.700 -0.052 0.000 0.746 380 E HN 0.268 nan 8.360 nan 0.000 0.466 381 V N 1.999 121.871 119.914 -0.070 0.000 2.346 381 V HA -0.112 4.008 4.120 -0.000 0.000 0.244 381 V C 2.672 178.775 176.094 0.015 0.000 1.037 381 V CA 1.540 63.827 62.300 -0.021 0.000 1.029 381 V CB -0.782 31.036 31.823 -0.009 0.000 0.663 381 V HN 0.365 nan 8.190 nan 0.000 0.454 382 A N 0.349 123.188 122.820 0.032 0.000 1.948 382 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 382 A C 2.362 180.047 177.584 0.168 0.000 1.177 382 A CA 2.255 54.389 52.037 0.161 0.000 0.636 382 A CB -0.773 18.292 19.000 0.109 0.000 0.815 382 A HN 0.591 nan 8.150 nan 0.000 0.449 383 A N -0.769 122.053 122.820 0.005 0.000 2.067 383 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 383 A C 1.995 179.620 177.584 0.067 0.000 1.158 383 A CA 1.431 53.499 52.037 0.052 0.000 0.661 383 A CB -0.297 18.697 19.000 -0.009 0.000 0.801 383 A HN 0.474 nan 8.150 nan 0.000 0.452 384 K N -0.455 119.960 120.400 0.025 0.000 2.432 384 K HA -0.030 4.290 4.320 -0.000 0.000 0.196 384 K C 0.808 177.380 176.600 -0.047 0.000 1.038 384 K CA 1.071 57.359 56.287 0.002 0.000 0.986 384 K CB 0.090 32.585 32.500 -0.007 0.000 0.782 384 K HN 0.659 nan 8.250 nan 0.000 0.485 385 E N -1.063 119.088 120.200 -0.081 0.000 2.508 385 E HA 0.129 4.479 4.350 -0.000 0.000 0.217 385 E C -0.555 175.662 176.600 -0.638 0.000 0.896 385 E CA -0.025 56.169 56.400 -0.344 0.000 1.118 385 E CB 0.627 30.078 29.700 -0.416 0.000 1.133 385 E HN -0.015 nan 8.360 nan 0.000 0.526 386 F N 0.610 120.581 119.950 0.034 0.000 2.556 386 F HA 0.240 4.767 4.527 -0.000 0.000 0.314 386 F C 1.247 177.088 175.800 0.067 0.000 1.106 386 F CA -0.884 57.146 58.000 0.050 0.000 0.911 386 F CB 1.822 40.856 39.000 0.057 0.000 1.190 386 F HN -0.220 nan 8.300 nan 0.000 0.448 387 E N 2.133 122.477 120.200 0.240 0.000 2.038 387 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 387 E C -0.219 176.500 176.600 0.199 0.000 1.000 387 E CA 1.317 57.819 56.400 0.170 0.000 0.803 387 E CB 0.274 30.054 29.700 0.133 0.000 0.750 387 E HN 0.504 nan 8.360 nan 0.000 0.448 388 K N 0.766 121.305 120.400 0.231 0.000 2.358 388 K HA 0.427 4.747 4.320 -0.000 0.000 0.260 388 K C -1.238 175.521 176.600 0.264 0.000 0.956 388 K CA -0.495 55.938 56.287 0.243 0.000 0.834 388 K CB 2.795 35.440 32.500 0.241 0.000 1.102 388 K HN -0.126 nan 8.250 nan 0.000 0.431 389 V N 1.926 122.000 119.914 0.266 0.000 2.540 389 V HA 0.583 4.703 4.120 -0.000 0.000 0.302 389 V C -0.561 175.637 176.094 0.174 0.000 1.035 389 V CA -0.790 61.629 62.300 0.199 0.000 0.873 389 V CB 1.700 33.615 31.823 0.154 0.000 0.992 389 V HN 0.944 nan 8.190 nan 0.000 0.428 390 A N 4.355 127.208 122.820 0.055 0.000 2.340 390 A HA 0.920 5.240 4.320 -0.000 0.000 0.331 390 A C -1.029 176.387 177.584 -0.280 0.000 1.140 390 A CA -0.600 51.284 52.037 -0.255 0.000 0.801 390 A CB 1.823 20.673 19.000 -0.249 0.000 1.234 390 A HN 0.680 nan 8.150 nan 0.000 0.469 391 V N 2.378 121.916 119.914 -0.626 0.000 2.443 391 V HA 0.342 4.461 4.120 -0.000 0.000 0.293 391 V C -1.483 174.240 176.094 -0.618 0.000 1.021 391 V CA -0.283 61.696 62.300 -0.536 0.000 0.848 391 V CB 0.963 32.290 31.823 -0.827 0.000 0.998 391 V HN 0.791 nan 8.190 nan 0.000 0.424 392 Y N 5.034 125.162 120.300 -0.287 0.000 2.331 392 Y HA 0.743 5.293 4.550 -0.000 0.000 0.338 392 Y C 0.186 176.011 175.900 -0.125 0.000 0.992 392 Y CA -0.556 57.426 58.100 -0.197 0.000 1.121 392 Y CB 1.851 40.228 38.460 -0.138 0.000 1.184 392 Y HN 0.595 nan 8.280 nan 0.000 0.469 393 M N 3.273 122.899 119.600 0.044 0.000 2.378 393 M HA 0.569 5.049 4.480 -0.000 0.000 0.289 393 M C -1.545 174.828 176.300 0.121 0.000 1.136 393 M CA -0.321 55.023 55.300 0.073 0.000 0.917 393 M CB 1.847 34.485 32.600 0.063 0.000 1.669 393 M HN 0.566 nan 8.290 nan 0.000 0.461 394 S N 2.548 118.345 115.700 0.161 0.000 2.547 394 S HA 0.781 5.251 4.470 -0.000 0.000 0.281 394 S C -1.662 173.090 174.600 0.253 0.000 1.118 394 S CA -0.426 57.917 58.200 0.238 0.000 0.947 394 S CB 1.884 65.259 63.200 0.291 0.000 1.053 394 S HN 0.769 nan 8.310 nan 0.000 0.482 395 S N 4.347 120.238 115.700 0.318 0.000 2.706 395 S HA 0.763 5.232 4.470 -0.000 0.000 0.270 395 S C -1.304 173.521 174.600 0.374 0.000 1.163 395 S CA -0.648 57.695 58.200 0.238 0.000 1.042 395 S CB -0.119 63.169 63.200 0.147 0.000 1.079 395 S HN 1.157 nan 8.310 nan 0.000 0.474 396 F N -0.005 120.022 119.950 0.127 0.000 2.799 396 F HA 0.537 5.064 4.527 -0.000 0.000 0.316 396 F C -0.814 175.065 175.800 0.130 0.000 1.155 396 F CA -0.966 57.098 58.000 0.108 0.000 0.916 396 F CB 0.549 39.604 39.000 0.092 0.000 1.294 396 F HN 0.189 nan 8.300 nan 0.000 0.447 397 T N 3.735 118.417 114.554 0.212 0.000 2.769 397 T HA 0.370 4.719 4.350 -0.000 0.000 0.293 397 T C -2.484 172.278 174.700 0.103 0.000 0.931 397 T CA -0.562 61.604 62.100 0.111 0.000 1.139 397 T CB 0.312 69.268 68.868 0.146 0.000 0.881 397 T HN 0.339 nan 8.240 nan 0.000 0.532 398 P HA 0.059 nan 4.420 nan 0.000 0.268 398 P C 0.940 178.291 177.300 0.086 0.000 1.208 398 P CA -0.562 62.523 63.100 -0.024 0.000 0.777 398 P CB 0.487 32.139 31.700 -0.080 0.000 0.875 399 L N 3.328 124.615 121.223 0.105 0.000 2.131 399 L HA -0.138 4.201 4.340 -0.000 0.000 0.210 399 L C 2.066 178.962 176.870 0.044 0.000 1.092 399 L CA 1.748 56.644 54.840 0.093 0.000 0.759 399 L CB -1.296 40.818 42.059 0.092 0.000 0.903 399 L HN 0.448 nan 8.230 nan 0.000 0.435 400 M N -2.213 117.387 119.600 -0.000 0.000 2.267 400 M HA -0.198 4.282 4.480 -0.000 0.000 0.263 400 M C 1.380 177.639 176.300 -0.068 0.000 1.063 400 M CA 1.845 57.152 55.300 0.011 0.000 1.090 400 M CB -0.723 31.820 32.600 -0.094 0.000 1.392 400 M HN 0.213 nan 8.290 nan 0.000 0.422 401 H N 0.429 119.542 119.070 0.073 0.000 2.539 401 H HA 0.207 4.763 4.556 -0.000 0.000 0.269 401 H C 0.910 176.238 175.328 0.000 0.000 0.980 401 H CA 0.301 56.362 56.048 0.022 0.000 1.152 401 H CB -0.220 29.512 29.762 -0.050 0.000 1.407 401 H HN 0.546 nan 8.280 nan 0.000 0.564 402 N N 0.431 119.191 118.700 0.099 0.000 2.459 402 N HA -0.022 4.718 4.740 -0.000 0.000 0.181 402 N C 1.674 177.178 175.510 -0.010 0.000 1.046 402 N CA 0.501 53.582 53.050 0.050 0.000 0.904 402 N CB 0.491 39.005 38.487 0.045 0.000 0.964 402 N HN 0.424 nan 8.380 nan 0.000 0.444 403 I N -0.369 120.163 120.570 -0.063 0.000 3.300 403 I HA -0.080 4.090 4.170 -0.000 0.000 0.279 403 I C 2.067 178.065 176.117 -0.200 0.000 1.172 403 I CA 0.264 61.419 61.300 -0.242 0.000 1.431 403 I CB -0.098 37.585 38.000 -0.529 0.000 1.240 403 I HN 0.017 nan 8.210 nan 0.000 0.453 404 S N 1.046 116.751 115.700 0.008 0.000 2.402 404 S HA -0.136 4.334 4.470 -0.000 0.000 0.233 404 S C 1.888 176.572 174.600 0.139 0.000 1.030 404 S CA 1.306 59.633 58.200 0.212 0.000 1.003 404 S CB -0.544 62.926 63.200 0.449 0.000 0.813 404 S HN 0.660 nan 8.310 nan 0.000 0.477 405 G N -0.010 108.846 108.800 0.094 0.000 2.175 405 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.244 405 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.244 405 G C 0.319 175.262 174.900 0.071 0.000 0.982 405 G CA 0.200 45.343 45.100 0.072 0.000 0.641 405 G HN 0.751 nan 8.290 nan 0.000 0.527 406 S N 0.750 116.460 115.700 0.016 0.000 4.120 406 S HA 0.300 4.769 4.470 -0.000 0.000 0.196 406 S C 1.427 175.784 174.600 -0.405 0.000 1.447 406 S CA 0.102 58.140 58.200 -0.270 0.000 0.939 406 S CB 0.683 63.534 63.200 -0.581 0.000 1.496 406 S HN 0.503 nan 8.310 nan 0.000 0.460 407 K N 0.658 121.004 120.400 -0.090 0.000 2.362 407 K HA -0.106 4.213 4.320 -0.000 0.000 0.200 407 K C 1.319 177.901 176.600 -0.029 0.000 1.046 407 K CA 0.985 57.264 56.287 -0.013 0.000 0.952 407 K CB -0.105 32.436 32.500 0.070 0.000 0.753 407 K HN 0.805 nan 8.250 nan 0.000 0.466 408 Y N -0.580 119.712 120.300 -0.013 0.000 2.546 408 Y HA 0.146 4.696 4.550 -0.000 0.000 0.287 408 Y C -0.048 175.821 175.900 -0.052 0.000 1.158 408 Y CA -0.174 57.911 58.100 -0.025 0.000 1.307 408 Y CB -0.233 38.206 38.460 -0.036 0.000 1.036 408 Y HN -0.277 nan 8.280 nan 0.000 0.532 409 K N 2.732 122.766 120.400 -0.609 0.000 2.278 409 K HA 0.098 4.418 4.320 -0.000 0.000 0.237 409 K C -0.357 176.170 176.600 -0.121 0.000 1.229 409 K CA 0.035 56.079 56.287 -0.406 0.000 1.155 409 K CB -0.007 32.071 32.500 -0.704 0.000 1.590 409 K HN 0.271 nan 8.250 nan 0.000 0.290 410 K N 1.416 121.794 120.400 -0.037 0.000 2.451 410 K HA 0.009 4.328 4.320 -0.000 0.000 0.280 410 K C -0.250 176.336 176.600 -0.024 0.000 1.020 410 K CA -0.041 56.245 56.287 -0.000 0.000 1.008 410 K CB 0.343 32.862 32.500 0.031 0.000 0.917 410 K HN 0.209 nan 8.250 nan 0.000 0.478 411 F N 3.832 123.683 119.950 -0.165 0.000 2.420 411 F HA 0.166 4.693 4.527 -0.000 0.000 0.352 411 F C -0.393 175.334 175.800 -0.122 0.000 1.108 411 F CA -0.600 57.303 58.000 -0.162 0.000 1.162 411 F CB 0.735 39.594 39.000 -0.235 0.000 1.118 411 F HN 0.086 nan 8.300 nan 0.000 0.510 412 V N 5.869 125.415 119.914 -0.613 0.000 2.384 412 V HA 0.732 4.852 4.120 -0.000 0.000 0.287 412 V C -0.197 175.713 176.094 -0.307 0.000 1.020 412 V CA -0.773 61.349 62.300 -0.298 0.000 0.850 412 V CB 0.967 32.675 31.823 -0.191 0.000 0.987 412 V HN 0.930 nan 8.190 nan 0.000 0.436 413 A N 5.171 128.002 122.820 0.018 0.000 2.311 413 A HA 0.816 5.135 4.320 -0.000 0.000 0.306 413 A C -0.444 177.186 177.584 0.076 0.000 1.189 413 A CA -0.717 51.379 52.037 0.098 0.000 0.791 413 A CB 0.961 20.114 19.000 0.256 0.000 1.172 413 A HN 0.791 nan 8.150 nan 0.000 0.481 414 K N 1.974 122.403 120.400 0.049 0.000 2.378 414 K HA 0.695 5.015 4.320 -0.000 0.000 0.252 414 K C -1.455 175.135 176.600 -0.017 0.000 0.931 414 K CA -0.343 55.978 56.287 0.057 0.000 0.794 414 K CB 2.440 35.012 32.500 0.121 0.000 1.181 414 K HN 0.667 nan 8.250 nan 0.000 0.425 415 I N 2.649 123.203 120.570 -0.027 0.000 2.436 415 I HA 0.285 4.455 4.170 -0.000 0.000 0.289 415 I C -0.840 175.277 176.117 -0.001 0.000 1.010 415 I CA -1.152 60.071 61.300 -0.129 0.000 1.098 415 I CB 2.050 39.876 38.000 -0.290 0.000 1.266 415 I HN 0.177 nan 8.210 nan 0.000 0.434 416 V N 5.150 125.041 119.914 -0.038 0.000 2.334 416 V HA 0.411 4.531 4.120 -0.000 0.000 0.281 416 V C 0.292 176.372 176.094 -0.024 0.000 1.016 416 V CA -0.386 61.917 62.300 0.006 0.000 0.832 416 V CB 1.609 33.460 31.823 0.046 0.000 0.999 416 V HN 0.872 nan 8.190 nan 0.000 0.439 417 T N 0.915 115.488 114.554 0.031 0.000 2.950 417 T HA 0.418 4.768 4.350 -0.000 0.000 0.288 417 T C -0.065 174.605 174.700 -0.051 0.000 1.035 417 T CA -0.847 61.249 62.100 -0.007 0.000 1.028 417 T CB 1.608 70.531 68.868 0.092 0.000 1.109 417 T HN 0.402 nan 8.240 nan 0.000 0.514 418 N N 0.382 118.970 118.700 -0.186 0.000 2.421 418 N HA 0.059 4.798 4.740 -0.000 0.000 0.260 418 N C 0.663 176.171 175.510 -0.003 0.000 1.173 418 N CA -0.042 52.859 53.050 -0.248 0.000 0.960 418 N CB -0.020 38.137 38.487 -0.550 0.000 1.273 418 N HN 0.846 nan 8.380 nan 0.000 0.497 419 H N 2.002 121.086 119.070 0.023 0.000 2.518 419 H HA 0.008 4.564 4.556 -0.000 0.000 0.289 419 H C 1.357 176.730 175.328 0.075 0.000 1.051 419 H CA 1.637 57.743 56.048 0.096 0.000 1.280 419 H CB 0.486 30.356 29.762 0.181 0.000 1.380 419 H HN 0.479 nan 8.280 nan 0.000 0.566 420 S N -0.152 115.564 115.700 0.027 0.000 2.356 420 S HA -0.138 4.331 4.470 -0.000 0.000 0.223 420 S C 1.238 175.805 174.600 -0.056 0.000 1.032 420 S CA 1.573 59.767 58.200 -0.011 0.000 1.005 420 S CB -0.054 63.180 63.200 0.056 0.000 0.867 420 S HN 0.839 nan 8.310 nan 0.000 0.449 421 D N -1.622 118.750 120.400 -0.046 0.000 2.503 421 D HA 0.283 4.923 4.640 -0.000 0.000 0.218 421 D C 1.014 177.288 176.300 -0.043 0.000 1.183 421 D CA 0.604 54.579 54.000 -0.041 0.000 0.827 421 D CB -0.371 40.420 40.800 -0.015 0.000 1.034 421 D HN 0.361 nan 8.370 nan 0.000 0.510 422 G N 0.391 109.163 108.800 -0.047 0.000 2.168 422 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.263 422 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.263 422 G C 0.424 175.311 174.900 -0.023 0.000 0.977 422 G CA 0.522 45.613 45.100 -0.014 0.000 0.659 422 G HN 0.434 nan 8.290 nan 0.000 0.533 423 T N 0.808 115.330 114.554 -0.052 0.000 2.902 423 T HA 0.362 4.712 4.350 -0.000 0.000 0.301 423 T C 0.827 175.480 174.700 -0.079 0.000 1.012 423 T CA 0.101 62.165 62.100 -0.060 0.000 1.151 423 T CB 1.815 70.625 68.868 -0.096 0.000 0.946 423 T HN 0.393 nan 8.240 nan 0.000 0.542 424 V N 5.982 125.870 119.914 -0.042 0.000 2.455 424 V HA 0.147 4.267 4.120 -0.000 0.000 0.273 424 V C 1.120 177.166 176.094 -0.080 0.000 1.045 424 V CA 0.075 62.328 62.300 -0.078 0.000 0.976 424 V CB 0.818 32.591 31.823 -0.084 0.000 0.993 424 V HN 0.828 nan 8.190 nan 0.000 0.475 425 L N 4.019 125.179 121.223 -0.105 0.000 2.515 425 L HA 0.499 4.838 4.340 -0.000 0.000 0.223 425 L C 0.994 177.834 176.870 -0.050 0.000 1.079 425 L CA 0.620 55.412 54.840 -0.079 0.000 0.857 425 L CB 0.442 42.434 42.059 -0.113 0.000 1.050 425 L HN 0.789 nan 8.230 nan 0.000 0.476 426 G N -0.379 108.359 108.800 -0.104 0.000 2.733 426 G HA2 0.512 4.472 3.960 -0.000 0.000 0.297 426 G HA3 0.512 4.472 3.960 -0.000 0.000 0.297 426 G C -1.888 172.764 174.900 -0.414 0.000 1.452 426 G CA -0.312 44.675 45.100 -0.190 0.000 0.940 426 G HN -0.280 nan 8.290 nan 0.000 0.547 427 V N 2.962 122.474 119.914 -0.671 0.000 2.656 427 V HA 0.694 4.813 4.120 -0.000 0.000 0.307 427 V C -0.967 174.595 176.094 -0.886 0.000 1.051 427 V CA -0.918 61.006 62.300 -0.627 0.000 0.893 427 V CB 1.965 33.587 31.823 -0.335 0.000 0.999 427 V HN 0.835 nan 8.190 nan 0.000 0.426 428 H N 4.964 124.012 119.070 -0.037 0.000 2.856 428 H HA 0.687 5.242 4.556 -0.000 0.000 0.355 428 H C -1.309 173.983 175.328 -0.061 0.000 1.079 428 H CA -0.571 55.461 56.048 -0.027 0.000 1.240 428 H CB 2.366 32.122 29.762 -0.010 0.000 1.701 428 H HN 0.425 nan 8.280 nan 0.000 0.527 429 L N 3.099 124.328 121.223 0.010 0.000 2.401 429 L HA 0.482 4.822 4.340 -0.000 0.000 0.266 429 L C -0.994 175.724 176.870 -0.253 0.000 0.991 429 L CA -0.949 53.804 54.840 -0.145 0.000 0.818 429 L CB 2.891 44.918 42.059 -0.054 0.000 1.321 429 L HN 0.283 nan 8.230 nan 0.000 0.413 430 L N 1.902 122.821 121.223 -0.506 0.000 2.436 430 L HA 1.019 5.359 4.340 -0.000 0.000 0.268 430 L C -0.343 176.068 176.870 -0.765 0.000 0.974 430 L CA 0.318 54.875 54.840 -0.472 0.000 0.826 430 L CB 2.082 43.942 42.059 -0.331 0.000 1.291 430 L HN 0.730 nan 8.230 nan 0.000 0.406 431 G N 2.449 111.034 108.800 -0.358 0.000 2.326 431 G HA2 0.068 4.028 3.960 -0.000 0.000 0.413 431 G HA3 0.068 4.028 3.960 -0.000 0.000 0.413 431 G C -1.826 173.186 174.900 0.187 0.000 1.444 431 G CA -0.886 44.188 45.100 -0.042 0.000 1.002 431 G HN 0.654 nan 8.290 nan 0.000 0.649 432 D N 0.212 120.747 120.400 0.225 0.000 2.488 432 D HA 0.403 5.043 4.640 -0.000 0.000 0.238 432 D C 1.540 177.957 176.300 0.194 0.000 1.138 432 D CA 2.210 56.306 54.000 0.162 0.000 0.873 432 D CB 1.034 41.919 40.800 0.142 0.000 1.183 432 D HN 1.899 nan 8.370 nan 0.000 0.458 433 G N 1.717 110.598 108.800 0.134 0.000 2.299 433 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.237 433 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.237 433 G C 1.293 176.276 174.900 0.140 0.000 1.027 433 G CA 0.817 45.989 45.100 0.119 0.000 0.619 433 G HN 0.727 nan 8.290 nan 0.000 0.513 434 A N 1.579 124.508 122.820 0.182 0.000 1.940 434 A HA 0.011 4.330 4.320 -0.000 0.000 0.221 434 A C 0.631 178.244 177.584 0.048 0.000 1.190 434 A CA 2.971 55.082 52.037 0.123 0.000 0.647 434 A CB -1.307 17.700 19.000 0.011 0.000 0.821 434 A HN 0.520 nan 8.150 nan 0.000 0.457 435 P HA -0.083 nan 4.420 nan 0.000 0.219 435 P C 1.218 178.561 177.300 0.071 0.000 1.150 435 P CA 1.048 64.149 63.100 0.001 0.000 0.814 435 P CB 0.002 31.687 31.700 -0.026 0.000 0.787 436 E N -0.182 120.071 120.200 0.088 0.000 2.072 436 E HA -0.078 4.271 4.350 -0.000 0.000 0.190 436 E C 2.133 178.774 176.600 0.067 0.000 0.982 436 E CA 0.938 57.384 56.400 0.077 0.000 0.803 436 E CB -0.794 28.946 29.700 0.066 0.000 0.755 436 E HN 0.331 nan 8.360 nan 0.000 0.453 437 I N 0.750 121.367 120.570 0.078 0.000 2.335 437 I HA -0.241 3.929 4.170 -0.000 0.000 0.251 437 I C 2.402 178.567 176.117 0.081 0.000 1.129 437 I CA 0.770 62.119 61.300 0.083 0.000 1.402 437 I CB -0.135 37.937 38.000 0.121 0.000 1.069 437 I HN 0.019 nan 8.210 nan 0.000 0.424 438 I N 0.286 120.899 120.570 0.072 0.000 3.226 438 I HA -0.174 3.995 4.170 -0.000 0.000 0.277 438 I C 2.291 178.444 176.117 0.060 0.000 1.243 438 I CA 0.831 62.169 61.300 0.063 0.000 1.459 438 I CB -0.157 37.869 38.000 0.044 0.000 1.093 438 I HN 0.127 nan 8.210 nan 0.000 0.453 439 Q N 1.301 121.136 119.800 0.058 0.000 2.030 439 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 439 Q C 2.201 178.227 176.000 0.045 0.000 0.986 439 Q CA 2.571 58.405 55.803 0.051 0.000 0.843 439 Q CB -0.501 28.267 28.738 0.050 0.000 0.904 439 Q HN 0.527 nan 8.270 nan 0.000 0.420 440 A N -0.615 122.230 122.820 0.043 0.000 1.969 440 A HA -0.069 4.250 4.320 -0.000 0.000 0.218 440 A C 2.287 179.900 177.584 0.049 0.000 1.169 440 A CA 1.324 53.380 52.037 0.031 0.000 0.635 440 A CB -0.731 18.278 19.000 0.016 0.000 0.810 440 A HN 0.275 nan 8.150 nan 0.000 0.445 441 V N 0.209 120.176 119.914 0.089 0.000 2.324 441 V HA -0.273 3.847 4.120 -0.000 0.000 0.250 441 V C 2.834 178.988 176.094 0.101 0.000 1.060 441 V CA 2.058 64.447 62.300 0.148 0.000 1.042 441 V CB -1.574 30.337 31.823 0.147 0.000 0.650 441 V HN 0.612 nan 8.190 nan 0.000 0.450 442 G N -0.187 108.650 108.800 0.062 0.000 2.469 442 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.219 442 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.219 442 G C 1.643 176.565 174.900 0.037 0.000 1.150 442 G CA 1.407 46.533 45.100 0.044 0.000 0.763 442 G HN 0.420 nan 8.290 nan 0.000 0.561 443 V N 0.440 120.373 119.914 0.031 0.000 2.343 443 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 443 V C 3.074 179.175 176.094 0.011 0.000 1.051 443 V CA 1.721 64.030 62.300 0.014 0.000 1.036 443 V CB -0.836 30.988 31.823 0.002 0.000 0.654 443 V HN 0.524 nan 8.190 nan 0.000 0.451 444 C N -0.258 119.054 119.300 0.019 0.000 2.385 444 C HA -0.201 4.258 4.460 -0.000 0.000 0.275 444 C C 2.564 177.584 174.990 0.050 0.000 1.207 444 C CA 0.948 59.975 59.018 0.014 0.000 1.760 444 C CB -1.223 26.551 27.740 0.056 0.000 2.051 444 C HN 0.483 nan 8.230 nan 0.000 0.467 445 L N 0.610 121.877 121.223 0.073 0.000 2.362 445 L HA -0.044 4.295 4.340 -0.000 0.000 0.219 445 L C 2.293 179.184 176.870 0.034 0.000 1.134 445 L CA 1.584 56.459 54.840 0.058 0.000 0.807 445 L CB -0.695 41.393 42.059 0.047 0.000 0.927 445 L HN 0.344 nan 8.230 nan 0.000 0.447 446 R N -0.729 119.786 120.500 0.024 0.000 2.363 446 R HA 0.185 4.525 4.340 -0.000 0.000 0.236 446 R C 0.284 176.589 176.300 0.009 0.000 0.966 446 R CA 0.161 56.270 56.100 0.014 0.000 1.100 446 R CB 0.007 30.312 30.300 0.009 0.000 1.125 446 R HN 0.298 nan 8.270 nan 0.000 0.514 447 L N 0.221 121.450 121.223 0.009 0.000 3.439 447 L HA 0.203 4.543 4.340 -0.000 0.000 0.313 447 L C -0.308 176.566 176.870 0.006 0.000 1.292 447 L CA -0.409 54.431 54.840 -0.000 0.000 1.020 447 L CB 0.385 42.434 42.059 -0.017 0.000 1.424 447 L HN 0.087 nan 8.230 nan 0.000 0.612 448 N N 2.055 120.766 118.700 0.018 0.000 2.699 448 N HA -0.189 4.551 4.740 -0.000 0.000 0.256 448 N C 0.377 175.903 175.510 0.026 0.000 0.993 448 N CA 0.976 54.040 53.050 0.022 0.000 0.759 448 N CB -0.375 38.123 38.487 0.018 0.000 0.906 448 N HN 0.501 nan 8.380 nan 0.000 0.541 449 A N 0.488 123.337 122.820 0.047 0.000 2.498 449 A HA 0.270 4.589 4.320 -0.000 0.000 0.239 449 A C 0.795 178.444 177.584 0.109 0.000 1.068 449 A CA 0.371 52.454 52.037 0.076 0.000 0.766 449 A CB 0.665 19.749 19.000 0.139 0.000 1.003 449 A HN 0.337 nan 8.150 nan 0.000 0.497 450 K N 1.104 121.564 120.400 0.100 0.000 2.258 450 K HA 0.404 4.724 4.320 -0.000 0.000 0.236 450 K C 0.911 177.590 176.600 0.132 0.000 1.008 450 K CA -0.835 55.497 56.287 0.075 0.000 0.869 450 K CB 1.310 33.830 32.500 0.034 0.000 1.171 450 K HN 0.530 nan 8.250 nan 0.000 0.447 451 I N 1.300 121.880 120.570 0.017 0.000 2.361 451 I HA -0.270 3.900 4.170 -0.000 0.000 0.251 451 I C 1.843 177.988 176.117 0.047 0.000 1.133 451 I CA 1.837 63.087 61.300 -0.083 0.000 1.413 451 I CB -0.188 37.586 38.000 -0.376 0.000 1.073 451 I HN 0.712 nan 8.210 nan 0.000 0.424 452 S N -0.534 115.205 115.700 0.065 0.000 2.406 452 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 452 S C 1.738 176.414 174.600 0.128 0.000 1.020 452 S CA 0.925 59.195 58.200 0.117 0.000 0.965 452 S CB -0.697 62.550 63.200 0.079 0.000 0.798 452 S HN 0.481 nan 8.310 nan 0.000 0.488 453 D N 1.320 121.770 120.400 0.084 0.000 2.123 453 D HA -0.057 4.583 4.640 -0.000 0.000 0.196 453 D C 1.548 177.814 176.300 -0.056 0.000 0.992 453 D CA 1.077 55.073 54.000 -0.007 0.000 0.833 453 D CB -0.478 40.284 40.800 -0.064 0.000 0.954 453 D HN 0.429 nan 8.370 nan 0.000 0.455 454 F N 0.275 120.215 119.950 -0.016 0.000 2.069 454 F HA -0.213 4.313 4.527 -0.000 0.000 0.298 454 F C 2.510 178.313 175.800 0.006 0.000 1.113 454 F CA 1.175 59.165 58.000 -0.018 0.000 1.214 454 F CB -0.743 38.232 39.000 -0.042 0.000 0.978 454 F HN -0.018 nan 8.300 nan 0.000 0.474 455 Y N 0.985 121.355 120.300 0.117 0.000 2.181 455 Y HA -0.227 4.323 4.550 -0.000 0.000 0.288 455 Y C 2.047 177.960 175.900 0.021 0.000 1.146 455 Y CA 1.641 59.771 58.100 0.050 0.000 1.164 455 Y CB -0.375 38.097 38.460 0.020 0.000 0.982 455 Y HN -0.045 nan 8.280 nan 0.000 0.515 456 N N -0.334 118.343 118.700 -0.038 0.000 2.467 456 N HA -0.019 4.721 4.740 -0.000 0.000 0.184 456 N C 0.066 175.499 175.510 -0.127 0.000 1.106 456 N CA 0.752 53.734 53.050 -0.114 0.000 0.892 456 N CB -0.311 38.178 38.487 0.004 0.000 0.969 456 N HN 0.172 nan 8.380 nan 0.000 0.454 457 T N 1.679 116.161 114.554 -0.120 0.000 2.930 457 T HA 0.182 4.531 4.350 -0.000 0.000 0.306 457 T C 0.891 175.512 174.700 -0.130 0.000 1.045 457 T CA -0.047 61.979 62.100 -0.124 0.000 1.134 457 T CB 0.956 69.738 68.868 -0.143 0.000 0.961 457 T HN -0.005 nan 8.240 nan 0.000 0.545 458 I N 2.680 123.186 120.570 -0.106 0.000 2.371 458 I HA 0.274 4.444 4.170 -0.000 0.000 0.290 458 I C 1.463 177.539 176.117 -0.067 0.000 1.028 458 I CA -0.523 60.719 61.300 -0.097 0.000 1.345 458 I CB 0.582 38.535 38.000 -0.079 0.000 1.407 458 I HN 0.683 nan 8.210 nan 0.000 0.501 459 G N 5.586 114.349 108.800 -0.062 0.000 2.630 459 G HA2 0.276 4.236 3.960 -0.000 0.000 0.236 459 G HA3 0.276 4.236 3.960 -0.000 0.000 0.236 459 G C -0.228 174.675 174.900 0.005 0.000 1.248 459 G CA -0.377 44.711 45.100 -0.020 0.000 0.844 459 G HN 0.414 nan 8.290 nan 0.000 0.588 460 V N 1.981 121.909 119.914 0.024 0.000 2.370 460 V HA 0.332 4.452 4.120 -0.000 0.000 0.279 460 V C -0.203 175.943 176.094 0.087 0.000 1.029 460 V CA -0.602 61.720 62.300 0.037 0.000 0.870 460 V CB 1.025 32.852 31.823 0.007 0.000 0.984 460 V HN 0.864 nan 8.190 nan 0.000 0.451 461 H N 5.526 124.580 119.070 -0.025 0.000 2.538 461 H HA 0.718 5.274 4.556 -0.000 0.000 0.353 461 H C -2.607 172.709 175.328 -0.020 0.000 1.109 461 H CA -1.847 54.189 56.048 -0.020 0.000 1.192 461 H CB 2.068 31.823 29.762 -0.013 0.000 1.555 461 H HN 0.523 nan 8.280 nan 0.000 0.518 462 P HA 0.294 nan 4.420 nan 0.000 0.293 462 P C -1.155 176.045 177.300 -0.167 0.000 1.313 462 P CA -0.577 62.253 63.100 -0.451 0.000 0.787 462 P CB 1.265 32.668 31.700 -0.496 0.000 0.910 463 T N -2.025 112.481 114.554 -0.079 0.000 2.887 463 T HA 0.367 4.717 4.350 -0.000 0.000 0.292 463 T C 0.856 175.455 174.700 -0.169 0.000 1.087 463 T CA -0.592 61.441 62.100 -0.112 0.000 1.009 463 T CB 1.283 70.104 68.868 -0.078 0.000 1.203 463 T HN -0.011 nan 8.240 nan 0.000 0.518 464 S N 0.220 115.725 115.700 -0.326 0.000 2.395 464 S HA 0.083 4.552 4.470 -0.000 0.000 0.225 464 S C 2.425 176.783 174.600 -0.404 0.000 1.027 464 S CA 0.783 58.599 58.200 -0.640 0.000 0.965 464 S CB -0.764 61.602 63.200 -1.390 0.000 0.812 464 S HN 0.902 nan 8.310 nan 0.000 0.482 465 A N 2.396 125.089 122.820 -0.211 0.000 1.972 465 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 465 A C 1.973 179.567 177.584 0.016 0.000 1.169 465 A CA 1.553 53.563 52.037 -0.045 0.000 0.635 465 A CB -0.661 18.334 19.000 -0.009 0.000 0.810 465 A HN 0.745 nan 8.150 nan 0.000 0.446 466 E N -0.281 119.923 120.200 0.008 0.000 2.396 466 E HA -0.219 4.130 4.350 -0.000 0.000 0.200 466 E C 1.079 177.725 176.600 0.077 0.000 1.023 466 E CA 1.071 57.501 56.400 0.050 0.000 0.857 466 E CB -0.223 29.520 29.700 0.071 0.000 0.775 466 E HN 0.524 nan 8.360 nan 0.000 0.525 467 E N 1.129 121.374 120.200 0.076 0.000 2.150 467 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 467 E C 2.141 178.825 176.600 0.141 0.000 0.985 467 E CA 0.614 57.093 56.400 0.132 0.000 0.814 467 E CB -0.151 29.644 29.700 0.157 0.000 0.752 467 E HN 0.460 nan 8.360 nan 0.000 0.466 468 L N -0.373 120.931 121.223 0.135 0.000 2.362 468 L HA -0.121 4.218 4.340 -0.000 0.000 0.219 468 L C 1.320 178.311 176.870 0.202 0.000 1.134 468 L CA 0.481 55.401 54.840 0.134 0.000 0.807 468 L CB 0.031 42.199 42.059 0.181 0.000 0.927 468 L HN 0.095 nan 8.230 nan 0.000 0.447 469 C N -1.215 118.190 119.300 0.176 0.000 2.638 469 C HA 0.276 4.735 4.460 -0.000 0.000 0.282 469 C C 1.394 176.438 174.990 0.091 0.000 1.473 469 C CA -0.298 58.808 59.018 0.147 0.000 1.781 469 C CB -0.706 27.073 27.740 0.066 0.000 2.780 469 C HN 0.328 nan 8.230 nan 0.000 0.531 470 S N -0.217 115.596 115.700 0.188 0.000 2.998 470 S HA 0.293 4.763 4.470 -0.000 0.000 0.256 470 S C -0.020 174.776 174.600 0.326 0.000 0.970 470 S CA -0.177 58.166 58.200 0.238 0.000 1.238 470 S CB 0.047 63.328 63.200 0.135 0.000 1.170 470 S HN 0.519 nan 8.310 nan 0.000 0.663 471 M N 1.753 121.529 119.600 0.292 0.000 2.101 471 M HA 0.446 4.926 4.480 -0.000 0.000 0.340 471 M C 0.915 177.272 176.300 0.095 0.000 1.057 471 M CA -0.194 55.222 55.300 0.193 0.000 0.984 471 M CB 1.701 34.391 32.600 0.150 0.000 1.560 471 M HN 0.116 nan 8.290 nan 0.000 0.435 472 R N 0.962 121.470 120.500 0.014 0.000 2.194 472 R HA 0.221 4.561 4.340 -0.000 0.000 0.194 472 R C -0.104 176.245 176.300 0.081 0.000 0.985 472 R CA 0.687 56.626 56.100 -0.268 0.000 1.104 472 R CB 0.858 30.833 30.300 -0.540 0.000 1.092 472 R HN 0.552 nan 8.270 nan 0.000 0.555 473 T N 2.999 117.623 114.554 0.116 0.000 2.824 473 T HA 0.425 4.775 4.350 -0.000 0.000 0.280 473 T C -2.669 171.908 174.700 -0.205 0.000 0.995 473 T CA -1.511 60.609 62.100 0.032 0.000 1.009 473 T CB 2.007 70.869 68.868 -0.010 0.000 0.955 473 T HN 0.010 nan 8.240 nan 0.000 0.452 474 P HA 0.257 nan 4.420 nan 0.000 0.269 474 P C 0.288 177.210 177.300 -0.629 0.000 1.209 474 P CA -0.089 62.340 63.100 -1.119 0.000 0.776 474 P CB 0.613 31.497 31.700 -1.361 0.000 0.876 475 S N 0.895 116.243 115.700 -0.588 0.000 2.404 475 S HA 0.073 4.543 4.470 -0.000 0.000 0.223 475 S C 0.257 174.752 174.600 -0.176 0.000 1.040 475 S CA 0.926 58.968 58.200 -0.263 0.000 0.957 475 S CB -0.419 62.701 63.200 -0.134 0.000 0.826 475 S HN 0.678 nan 8.310 nan 0.000 0.491 476 Y N -2.132 117.899 120.300 -0.447 0.000 2.764 476 Y HA 0.722 5.272 4.550 -0.000 0.000 0.331 476 Y C -1.677 173.855 175.900 -0.613 0.000 1.280 476 Y CA -2.127 55.742 58.100 -0.386 0.000 1.065 476 Y CB 0.603 38.949 38.460 -0.190 0.000 1.319 476 Y HN -0.070 nan 8.280 nan 0.000 0.453 477 Y N -0.517 119.820 120.300 0.061 0.000 2.545 477 Y HA 0.588 5.137 4.550 -0.000 0.000 0.348 477 Y C -1.493 174.441 175.900 0.057 0.000 1.002 477 Y CA -1.395 56.712 58.100 0.011 0.000 1.039 477 Y CB 2.157 40.565 38.460 -0.086 0.000 1.271 477 Y HN 0.557 nan 8.280 nan 0.000 0.467 478 Y N 1.322 121.753 120.300 0.218 0.000 2.356 478 Y HA 0.530 5.079 4.550 -0.000 0.000 0.334 478 Y C -0.603 175.385 175.900 0.147 0.000 0.958 478 Y CA -1.078 57.124 58.100 0.171 0.000 1.196 478 Y CB 1.224 39.772 38.460 0.147 0.000 1.137 478 Y HN 0.211 nan 8.280 nan 0.000 0.485 479 V N 4.793 124.830 119.914 0.205 0.000 2.350 479 V HA 0.177 4.296 4.120 -0.000 0.000 0.276 479 V C 0.252 176.423 176.094 0.127 0.000 1.028 479 V CA -1.143 61.242 62.300 0.142 0.000 0.860 479 V CB 0.984 32.846 31.823 0.064 0.000 0.990 479 V HN 0.888 nan 8.190 nan 0.000 0.453 480 K N 3.571 124.050 120.400 0.131 0.000 3.426 480 K HA -0.260 4.060 4.320 -0.000 0.000 0.315 480 K C 1.103 177.773 176.600 0.117 0.000 1.293 480 K CA 0.986 57.335 56.287 0.104 0.000 0.955 480 K CB -1.457 31.085 32.500 0.070 0.000 1.238 480 K HN 1.405 nan 8.250 nan 0.000 0.441 481 G N 0.385 109.289 108.800 0.174 0.000 2.296 481 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.188 481 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.188 481 G C -0.362 174.686 174.900 0.247 0.000 1.000 481 G CA 0.086 45.308 45.100 0.204 0.000 0.672 481 G HN 0.305 nan 8.290 nan 0.000 0.483 482 E N 1.057 121.354 120.200 0.161 0.000 2.174 482 E HA 0.459 4.808 4.350 -0.000 0.000 0.282 482 E C 0.009 176.573 176.600 -0.059 0.000 0.992 482 E CA -0.669 55.767 56.400 0.060 0.000 0.803 482 E CB 0.646 30.364 29.700 0.030 0.000 1.090 482 E HN 0.255 nan 8.360 nan 0.000 0.396 483 K N 6.223 126.470 120.400 -0.255 0.000 2.349 483 K HA 0.188 4.507 4.320 -0.000 0.000 0.289 483 K C -0.298 176.139 176.600 -0.272 0.000 1.064 483 K CA -0.058 55.881 56.287 -0.579 0.000 0.947 483 K CB 0.316 32.347 32.500 -0.783 0.000 1.007 483 K HN 0.491 nan 8.250 nan 0.000 0.478 484 M N 1.791 121.301 119.600 -0.150 0.000 2.593 484 M HA 0.338 4.818 4.480 -0.000 0.000 0.290 484 M C -0.274 176.066 176.300 0.066 0.000 1.244 484 M CA -0.753 54.518 55.300 -0.048 0.000 0.857 484 M CB 1.983 34.569 32.600 -0.023 0.000 1.738 484 M HN 0.430 nan 8.290 nan 0.000 0.461 485 E N 0.593 120.825 120.200 0.053 0.000 2.285 485 E HA 0.018 4.367 4.350 -0.000 0.000 0.194 485 E C 0.789 177.519 176.600 0.216 0.000 0.997 485 E CA 1.046 57.517 56.400 0.118 0.000 0.845 485 E CB 0.446 30.172 29.700 0.044 0.000 0.782 485 E HN 0.637 nan 8.360 nan 0.000 0.491 486 K N -0.845 119.629 120.400 0.123 0.000 2.493 486 K HA 0.171 4.491 4.320 -0.000 0.000 0.201 486 K C -0.257 176.182 176.600 -0.270 0.000 1.355 486 K CA -0.163 56.127 56.287 0.005 0.000 0.953 486 K CB 1.221 33.715 32.500 -0.010 0.000 1.316 486 K HN -0.129 nan 8.250 nan 0.000 0.522 487 L N 0.000 121.064 121.223 -0.265 0.000 2.949 487 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 487 L CA 0.000 54.652 54.840 -0.313 0.000 0.813 487 L CB 0.000 41.786 42.059 -0.455 0.000 0.961 487 L HN 0.000 nan 8.230 nan 0.000 0.502