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 2wow_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 EKMEKLPD 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 0.000 174.585 174.600 -0.026 0.000 1.055 2 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 2 S CB 0.000 63.184 63.200 -0.026 0.000 0.593 3 K N 1.226 121.609 120.400 -0.029 0.000 2.498 3 K HA 0.794 5.114 4.320 -0.000 0.000 0.254 3 K C -0.930 175.594 176.600 -0.127 0.000 0.933 3 K CA -0.770 55.475 56.287 -0.070 0.000 0.806 3 K CB 2.103 34.625 32.500 0.037 0.000 1.301 3 K HN 0.693 nan 8.250 nan 0.000 0.432 4 A N 2.052 124.673 122.820 -0.333 0.000 2.299 4 A HA 0.932 5.252 4.320 -0.000 0.000 0.332 4 A C -1.288 175.913 177.584 -0.637 0.000 1.131 4 A CA -0.459 51.413 52.037 -0.274 0.000 0.844 4 A CB 0.445 19.361 19.000 -0.139 0.000 1.251 4 A HN 0.546 nan 8.150 nan 0.000 0.486 5 F N -0.926 119.056 119.950 0.054 0.000 2.703 5 F HA 0.271 4.798 4.527 -0.001 0.000 0.308 5 F C 0.414 176.279 175.800 0.107 0.000 1.126 5 F CA -0.655 57.394 58.000 0.081 0.000 0.959 5 F CB 1.835 40.894 39.000 0.098 0.000 1.297 5 F HN 0.616 nan 8.300 nan 0.000 0.441 6 D N 0.654 121.252 120.400 0.330 0.000 2.213 6 D HA 0.064 4.704 4.640 -0.000 0.000 0.205 6 D C -0.195 176.365 176.300 0.434 0.000 0.961 6 D CA 1.372 55.562 54.000 0.316 0.000 0.853 6 D CB 0.651 41.539 40.800 0.147 0.000 0.967 6 D HN 0.178 nan 8.370 nan 0.000 0.496 7 L N 0.773 122.194 121.223 0.330 0.000 2.476 7 L HA 0.312 4.652 4.340 -0.000 0.000 0.269 7 L C -1.394 175.592 176.870 0.193 0.000 0.965 7 L CA -0.615 54.419 54.840 0.323 0.000 0.845 7 L CB 2.265 44.470 42.059 0.244 0.000 1.259 7 L HN -0.374 nan 8.230 nan 0.000 0.403 8 V N 5.505 125.525 119.914 0.177 0.000 2.417 8 V HA 0.597 4.717 4.120 -0.000 0.000 0.291 8 V C -0.526 175.625 176.094 0.095 0.000 1.024 8 V CA -0.682 61.651 62.300 0.054 0.000 0.861 8 V CB 1.964 33.789 31.823 0.004 0.000 0.985 8 V HN 0.491 nan 8.190 nan 0.000 0.436 9 V N 6.382 126.339 119.914 0.072 0.000 2.384 9 V HA 0.469 4.589 4.120 -0.000 0.000 0.287 9 V C -0.096 176.033 176.094 0.059 0.000 1.020 9 V CA -0.411 61.950 62.300 0.102 0.000 0.850 9 V CB 1.608 33.515 31.823 0.141 0.000 0.987 9 V HN 0.687 nan 8.190 nan 0.000 0.436 10 I N 4.820 125.421 120.570 0.052 0.000 2.291 10 I HA 0.668 4.837 4.170 -0.000 0.000 0.292 10 I C 0.811 176.941 176.117 0.021 0.000 1.064 10 I CA 0.076 61.384 61.300 0.014 0.000 1.269 10 I CB 0.787 38.790 38.000 0.005 0.000 1.418 10 I HN 0.869 nan 8.210 nan 0.000 0.485 11 G N 4.477 113.281 108.800 0.007 0.000 3.444 11 G HA2 0.101 4.061 3.960 -0.000 0.000 0.685 11 G HA3 0.101 4.061 3.960 -0.000 0.000 0.685 11 G C -0.255 174.685 174.900 0.067 0.000 1.145 11 G CA -0.451 44.657 45.100 0.014 0.000 0.973 11 G HN 0.903 nan 8.290 nan 0.000 0.525 12 A N 1.742 124.612 122.820 0.082 0.000 3.197 12 A HA 0.735 5.055 4.320 -0.000 0.000 0.263 12 A C 1.351 178.936 177.584 0.000 0.000 1.524 12 A CA 1.194 53.296 52.037 0.109 0.000 1.176 12 A CB -0.353 18.754 19.000 0.178 0.000 1.096 12 A HN 2.035 nan 8.150 nan 0.000 0.655 13 G N -1.065 107.740 108.800 0.007 0.000 2.795 13 G HA2 0.410 4.370 3.960 -0.000 0.000 0.267 13 G HA3 0.410 4.370 3.960 -0.000 0.000 0.267 13 G C 1.045 175.931 174.900 -0.023 0.000 1.362 13 G CA 0.417 45.500 45.100 -0.029 0.000 1.048 13 G HN 0.234 nan 8.290 nan 0.000 0.547 14 S N -0.275 115.415 115.700 -0.016 0.000 2.393 14 S HA -0.222 4.247 4.470 -0.000 0.000 0.235 14 S C 2.466 177.088 174.600 0.038 0.000 1.061 14 S CA 2.225 60.430 58.200 0.008 0.000 1.129 14 S CB -0.866 62.345 63.200 0.018 0.000 1.011 14 S HN 0.856 nan 8.310 nan 0.000 0.436 15 G N 0.570 109.401 108.800 0.053 0.000 2.404 15 G HA2 0.028 3.988 3.960 -0.000 0.000 0.215 15 G HA3 0.028 3.988 3.960 -0.000 0.000 0.215 15 G C 1.425 176.380 174.900 0.092 0.000 1.174 15 G CA 0.941 46.085 45.100 0.073 0.000 0.780 15 G HN 0.593 nan 8.290 nan 0.000 0.537 16 G N 0.701 109.556 108.800 0.092 0.000 2.394 16 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.215 16 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.215 16 G C 1.822 176.807 174.900 0.142 0.000 1.165 16 G CA 0.573 45.744 45.100 0.119 0.000 0.784 16 G HN 0.397 nan 8.290 nan 0.000 0.535 17 L N 0.068 121.363 121.223 0.120 0.000 2.012 17 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 17 L C 2.806 179.759 176.870 0.139 0.000 1.073 17 L CA 1.636 56.555 54.840 0.131 0.000 0.748 17 L CB -0.304 41.805 42.059 0.083 0.000 0.891 17 L HN 0.238 nan 8.230 nan 0.000 0.431 18 E N 0.264 120.531 120.200 0.111 0.000 2.051 18 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 18 E C 2.126 178.834 176.600 0.180 0.000 0.991 18 E CA 1.577 58.052 56.400 0.125 0.000 0.799 18 E CB -0.185 29.569 29.700 0.091 0.000 0.748 18 E HN 0.379 nan 8.360 nan 0.000 0.449 19 A N 0.074 122.990 122.820 0.160 0.000 1.908 19 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 19 A C 2.432 180.128 177.584 0.185 0.000 1.181 19 A CA 2.040 54.180 52.037 0.172 0.000 0.627 19 A CB -1.330 17.766 19.000 0.160 0.000 0.818 19 A HN 0.426 nan 8.150 nan 0.000 0.445 20 G N -1.541 107.372 108.800 0.189 0.000 2.404 20 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.214 20 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.214 20 G C 1.520 176.523 174.900 0.172 0.000 1.189 20 G CA 0.895 46.102 45.100 0.177 0.000 0.789 20 G HN 0.681 nan 8.290 nan 0.000 0.533 21 W N 2.116 123.407 121.300 -0.015 0.000 2.388 21 W HA -0.072 4.588 4.660 -0.001 0.000 0.294 21 W C 1.749 178.244 176.519 -0.040 0.000 1.212 21 W CA 1.255 58.565 57.345 -0.059 0.000 1.271 21 W CB -0.448 28.960 29.460 -0.087 0.000 1.126 21 W HN 0.155 nan 8.180 nan 0.000 0.535 22 N N 1.240 120.089 118.700 0.248 0.000 2.149 22 N HA -0.154 4.585 4.740 -0.000 0.000 0.188 22 N C 2.028 177.532 175.510 -0.011 0.000 1.019 22 N CA 2.644 55.746 53.050 0.086 0.000 0.857 22 N CB -1.034 37.563 38.487 0.183 0.000 0.997 22 N HN 0.209 nan 8.380 nan 0.000 0.426 23 A N 0.726 123.574 122.820 0.046 0.000 1.855 23 A HA 0.084 4.404 4.320 -0.000 0.000 0.215 23 A C 2.329 179.838 177.584 -0.125 0.000 1.191 23 A CA 1.901 53.928 52.037 -0.017 0.000 0.613 23 A CB -1.114 17.804 19.000 -0.137 0.000 0.829 23 A HN 0.297 nan 8.150 nan 0.000 0.442 24 A N -0.443 122.289 122.820 -0.147 0.000 1.851 24 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 24 A C 2.516 179.926 177.584 -0.292 0.000 1.195 24 A CA 3.041 54.968 52.037 -0.183 0.000 0.622 24 A CB -1.405 17.506 19.000 -0.148 0.000 0.831 24 A HN 0.830 nan 8.150 nan 0.000 0.444 25 T N -2.701 111.558 114.554 -0.492 0.000 3.009 25 T HA 0.163 4.513 4.350 -0.000 0.000 0.258 25 T C 1.732 176.160 174.700 -0.454 0.000 1.063 25 T CA 1.082 62.824 62.100 -0.596 0.000 1.139 25 T CB -0.290 67.928 68.868 -1.084 0.000 0.890 25 T HN 0.248 nan 8.240 nan 0.000 0.471 26 L N -1.402 119.541 121.223 -0.467 0.000 2.375 26 L HA 0.247 4.587 4.340 -0.000 0.000 0.215 26 L C 1.311 177.731 176.870 -0.749 0.000 1.108 26 L CA 0.838 55.317 54.840 -0.601 0.000 0.830 26 L CB -0.089 41.519 42.059 -0.751 0.000 0.959 26 L HN 0.275 nan 8.230 nan 0.000 0.457 27 Y N -0.947 119.277 120.300 -0.126 0.000 2.563 27 Y HA 0.341 4.890 4.550 -0.000 0.000 0.250 27 Y C 1.632 177.459 175.900 -0.121 0.000 1.126 27 Y CA -0.185 57.856 58.100 -0.098 0.000 1.231 27 Y CB 0.274 38.692 38.460 -0.069 0.000 1.288 27 Y HN 0.117 nan 8.280 nan 0.000 0.537 28 G N 1.118 109.882 108.800 -0.060 0.000 2.258 28 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.274 28 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.274 28 G C 0.368 175.234 174.900 -0.058 0.000 1.021 28 G CA 0.217 45.277 45.100 -0.066 0.000 0.798 28 G HN 0.084 nan 8.290 nan 0.000 0.507 29 K N -0.461 119.875 120.400 -0.106 0.000 2.149 29 K HA 0.338 4.658 4.320 -0.000 0.000 0.245 29 K C 0.738 177.299 176.600 -0.066 0.000 1.024 29 K CA -0.507 55.686 56.287 -0.157 0.000 0.899 29 K CB 0.661 32.888 32.500 -0.456 0.000 1.038 29 K HN 0.332 nan 8.250 nan 0.000 0.496 30 R N 0.876 121.382 120.500 0.009 0.000 2.294 30 R HA 0.386 4.726 4.340 -0.000 0.000 0.319 30 R C -1.216 175.255 176.300 0.285 0.000 0.984 30 R CA -0.485 55.711 56.100 0.161 0.000 0.861 30 R CB 0.854 31.254 30.300 0.167 0.000 1.104 30 R HN 0.256 nan 8.270 nan 0.000 0.451 31 V N 2.727 122.818 119.914 0.295 0.000 2.733 31 V HA 0.563 4.682 4.120 -0.000 0.000 0.306 31 V C -0.722 175.326 176.094 -0.077 0.000 1.084 31 V CA -0.973 61.400 62.300 0.122 0.000 0.905 31 V CB 1.825 33.700 31.823 0.086 0.000 1.010 31 V HN 0.902 nan 8.190 nan 0.000 0.424 32 A N 4.077 126.672 122.820 -0.376 0.000 2.330 32 A HA 0.927 5.247 4.320 -0.000 0.000 0.327 32 A C -0.873 176.696 177.584 -0.024 0.000 1.155 32 A CA -0.586 51.255 52.037 -0.327 0.000 0.803 32 A CB 1.583 20.155 19.000 -0.714 0.000 1.208 32 A HN 0.778 nan 8.150 nan 0.000 0.477 33 V N 2.697 122.667 119.914 0.094 0.000 2.540 33 V HA 0.518 4.638 4.120 -0.000 0.000 0.302 33 V C -0.435 175.637 176.094 -0.035 0.000 1.035 33 V CA -0.569 61.811 62.300 0.135 0.000 0.873 33 V CB 1.610 33.661 31.823 0.381 0.000 0.992 33 V HN 0.651 nan 8.190 nan 0.000 0.428 34 V N 3.657 123.526 119.914 -0.075 0.000 2.495 34 V HA 0.588 4.708 4.120 -0.000 0.000 0.298 34 V C -0.491 175.509 176.094 -0.158 0.000 1.031 34 V CA -0.348 61.804 62.300 -0.247 0.000 0.871 34 V CB 1.786 33.502 31.823 -0.178 0.000 0.988 34 V HN 0.932 nan 8.190 nan 0.000 0.432 35 D N 1.635 121.910 120.400 -0.208 0.000 2.523 35 D HA 0.399 5.039 4.640 -0.000 0.000 0.236 35 D C 0.495 176.645 176.300 -0.250 0.000 1.094 35 D CA -0.335 53.607 54.000 -0.095 0.000 0.942 35 D CB 3.032 43.937 40.800 0.174 0.000 1.447 35 D HN 0.387 nan 8.370 nan 0.000 0.479 36 V N -0.952 118.713 119.914 -0.414 0.000 3.608 36 V HA 0.288 4.407 4.120 -0.000 0.000 0.269 36 V C 0.406 176.394 176.094 -0.176 0.000 1.245 36 V CA 0.650 62.563 62.300 -0.644 0.000 1.138 36 V CB 0.032 30.983 31.823 -1.453 0.000 0.841 36 V HN 0.455 nan 8.190 nan 0.000 0.451 37 Q N -0.474 119.323 119.800 -0.005 0.000 2.527 37 Q HA 0.332 4.671 4.340 -0.000 0.000 0.280 37 Q C 0.470 176.512 176.000 0.069 0.000 0.977 37 Q CA 0.395 56.252 55.803 0.089 0.000 0.837 37 Q CB 2.177 31.001 28.738 0.143 0.000 1.454 37 Q HN 0.377 nan 8.270 nan 0.000 0.387 38 T N -2.302 112.272 114.554 0.034 0.000 3.040 38 T HA 0.195 4.545 4.350 -0.000 0.000 0.252 38 T C 0.738 175.397 174.700 -0.068 0.000 1.064 38 T CA 0.881 62.946 62.100 -0.057 0.000 1.110 38 T CB 0.116 68.948 68.868 -0.059 0.000 0.921 38 T HN 0.460 nan 8.240 nan 0.000 0.480 39 S N 0.987 116.659 115.700 -0.047 0.000 2.715 39 S HA 0.585 5.055 4.470 -0.000 0.000 0.307 39 S C -0.382 174.174 174.600 -0.073 0.000 1.119 39 S CA -0.984 57.190 58.200 -0.045 0.000 0.937 39 S CB 0.903 64.061 63.200 -0.070 0.000 1.150 39 S HN 0.755 nan 8.310 nan 0.000 0.521 40 H N -0.886 118.184 119.070 0.000 0.000 2.679 40 H HA 0.719 5.275 4.556 -0.000 0.000 0.369 40 H C 0.737 176.040 175.328 -0.042 0.000 1.178 40 H CA 0.143 56.209 56.048 0.030 0.000 1.419 40 H CB -0.123 29.697 29.762 0.097 0.000 1.458 40 H HN 1.423 nan 8.280 nan 0.000 0.605 41 G N 0.385 109.145 108.800 -0.066 0.000 2.434 41 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.671 41 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.671 41 G C -3.044 171.362 174.900 -0.823 0.000 1.280 41 G CA -0.867 43.908 45.100 -0.541 0.000 0.975 41 G HN 0.755 nan 8.290 nan 0.000 0.510 42 P HA 0.197 nan 4.420 nan 0.000 0.267 42 P C -1.552 175.363 177.300 -0.642 0.000 1.200 42 P CA -0.610 61.885 63.100 -1.007 0.000 0.772 42 P CB 0.505 31.838 31.700 -0.610 0.000 0.855 43 P HA 0.082 nan 4.420 nan 0.000 0.228 43 P C 0.499 177.407 177.300 -0.653 0.000 1.166 43 P CA 1.097 63.730 63.100 -0.779 0.000 0.812 43 P CB 0.165 31.261 31.700 -1.007 0.000 0.857 44 F N -2.592 117.279 119.950 -0.132 0.000 2.695 44 F HA 0.227 4.754 4.527 -0.001 0.000 0.303 44 F C 1.210 177.187 175.800 0.295 0.000 1.091 44 F CA -0.559 57.531 58.000 0.150 0.000 1.300 44 F CB -0.599 38.489 39.000 0.146 0.000 1.071 44 F HN -0.258 nan 8.300 nan 0.000 0.578 45 Y N -1.149 119.312 120.300 0.268 0.000 2.749 45 Y HA -0.403 4.147 4.550 -0.001 0.000 0.477 45 Y C 1.639 177.674 175.900 0.225 0.000 1.115 45 Y CA 0.165 58.407 58.100 0.236 0.000 2.869 45 Y CB -1.969 36.658 38.460 0.280 0.000 1.077 45 Y HN 0.011 nan 8.280 nan 0.000 0.595 46 A N 1.830 124.909 122.820 0.433 0.000 2.425 46 A HA 0.707 5.026 4.320 -0.000 0.000 0.242 46 A C 0.535 178.213 177.584 0.157 0.000 1.077 46 A CA 0.783 52.974 52.037 0.256 0.000 0.781 46 A CB 0.319 19.479 19.000 0.266 0.000 1.020 46 A HN 1.462 nan 8.150 nan 0.000 0.494 47 A N 0.212 123.077 122.820 0.074 0.000 2.806 47 A HA 0.585 4.905 4.320 -0.000 0.000 0.310 47 A C -0.724 176.834 177.584 -0.044 0.000 1.169 47 A CA -0.631 51.420 52.037 0.023 0.000 0.621 47 A CB -0.277 18.739 19.000 0.027 0.000 1.412 47 A HN 1.714 nan 8.150 nan 0.000 0.576 48 L N 1.242 122.407 121.223 -0.096 0.000 2.737 48 L HA 0.350 4.690 4.340 -0.000 0.000 0.279 48 L C 1.363 178.060 176.870 -0.288 0.000 1.200 48 L CA 2.697 57.407 54.840 -0.217 0.000 0.952 48 L CB -0.377 41.497 42.059 -0.309 0.000 1.240 48 L HN 2.088 nan 8.230 nan 0.000 0.486 49 G N 1.955 110.498 108.800 -0.429 0.000 2.176 49 G HA2 0.079 4.038 3.960 -0.000 0.000 0.232 49 G HA3 0.079 4.038 3.960 -0.000 0.000 0.232 49 G C 1.088 175.822 174.900 -0.277 0.000 0.986 49 G CA 0.203 44.920 45.100 -0.638 0.000 0.643 49 G HN 1.966 nan 8.290 nan 0.000 0.522 50 G N -1.344 107.371 108.800 -0.143 0.000 2.642 50 G HA2 0.031 3.991 3.960 -0.000 0.000 0.231 50 G HA3 0.031 3.991 3.960 -0.000 0.000 0.231 50 G C 0.880 175.775 174.900 -0.007 0.000 1.338 50 G CA 0.867 45.939 45.100 -0.047 0.000 0.883 50 G HN 1.256 nan 8.290 nan 0.000 0.570 51 T N -0.349 114.220 114.554 0.026 0.000 2.777 51 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 51 T C 2.503 177.194 174.700 -0.016 0.000 1.040 51 T CA 2.564 64.686 62.100 0.036 0.000 1.141 51 T CB -0.691 68.217 68.868 0.066 0.000 0.868 51 T HN 1.133 nan 8.240 nan 0.000 0.444 52 C N 1.301 120.587 119.300 -0.022 0.000 2.367 52 C HA -0.118 4.342 4.460 -0.000 0.000 0.276 52 C C 2.733 177.681 174.990 -0.070 0.000 1.195 52 C CA 1.025 60.021 59.018 -0.038 0.000 1.756 52 C CB -1.232 26.492 27.740 -0.026 0.000 2.046 52 C HN 0.385 nan 8.230 nan 0.000 0.453 53 V N 1.734 121.603 119.914 -0.075 0.000 2.323 53 V HA -0.129 3.991 4.120 -0.000 0.000 0.244 53 V C 2.353 178.378 176.094 -0.115 0.000 1.041 53 V CA 2.379 64.632 62.300 -0.079 0.000 1.025 53 V CB -0.693 31.086 31.823 -0.073 0.000 0.656 53 V HN 0.592 nan 8.190 nan 0.000 0.451 54 N N 0.343 118.989 118.700 -0.091 0.000 2.305 54 N HA -0.001 4.739 4.740 -0.000 0.000 0.179 54 N C 0.942 176.323 175.510 -0.214 0.000 1.019 54 N CA 1.733 54.747 53.050 -0.060 0.000 0.869 54 N CB 0.763 39.289 38.487 0.065 0.000 1.000 54 N HN 0.532 nan 8.380 nan 0.000 0.431 55 V N -3.202 116.559 119.914 -0.255 0.000 3.028 55 V HA 0.720 4.840 4.120 -0.000 0.000 0.418 55 V C 0.219 176.172 176.094 -0.235 0.000 1.433 55 V CA -0.325 61.661 62.300 -0.523 0.000 1.543 55 V CB 0.579 32.392 31.823 -0.017 0.000 1.329 55 V HN 0.196 nan 8.190 nan 0.000 0.646 56 G N -0.511 108.162 108.800 -0.212 0.000 3.255 56 G HA2 0.254 4.214 3.960 -0.000 0.000 0.161 56 G HA3 0.254 4.214 3.960 -0.000 0.000 0.161 56 G C 0.740 175.639 174.900 -0.002 0.000 1.173 56 G CA 0.643 45.761 45.100 0.031 0.000 1.106 56 G HN 0.195 nan 8.290 nan 0.000 0.650 57 C N 0.040 119.327 119.300 -0.021 0.000 2.349 57 C HA -0.082 4.378 4.460 -0.000 0.000 0.274 57 C C 2.920 177.836 174.990 -0.123 0.000 1.178 57 C CA 1.264 60.246 59.018 -0.059 0.000 1.769 57 C CB -1.396 26.315 27.740 -0.047 0.000 2.047 57 C HN 0.315 nan 8.230 nan 0.000 0.448 58 V N 2.545 122.386 119.914 -0.123 0.000 2.223 58 V HA -0.138 3.981 4.120 -0.000 0.000 0.244 58 V C 0.153 176.152 176.094 -0.158 0.000 1.045 58 V CA 2.707 64.922 62.300 -0.142 0.000 1.000 58 V CB -1.966 29.785 31.823 -0.121 0.000 0.635 58 V HN 0.408 nan 8.190 nan 0.000 0.445 59 P HA -0.173 nan 4.420 nan 0.000 0.218 59 P C 1.576 178.880 177.300 0.007 0.000 1.149 59 P CA 1.385 64.382 63.100 -0.172 0.000 0.817 59 P CB -0.106 31.343 31.700 -0.418 0.000 0.785 60 K N 1.228 121.679 120.400 0.086 0.000 2.026 60 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 60 K C 2.090 178.592 176.600 -0.164 0.000 1.048 60 K CA 1.751 58.041 56.287 0.006 0.000 0.929 60 K CB -0.456 32.065 32.500 0.035 0.000 0.713 60 K HN -0.104 nan 8.250 nan 0.000 0.439 61 K N 1.181 121.446 120.400 -0.224 0.000 2.097 61 K HA -0.005 4.315 4.320 -0.000 0.000 0.205 61 K C 2.261 178.744 176.600 -0.195 0.000 1.050 61 K CA 1.060 57.149 56.287 -0.330 0.000 0.938 61 K CB -0.374 31.846 32.500 -0.466 0.000 0.718 61 K HN 0.187 nan 8.250 nan 0.000 0.442 62 L N -0.126 121.006 121.223 -0.150 0.000 2.079 62 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 62 L C 2.468 179.288 176.870 -0.083 0.000 1.081 62 L CA 1.518 56.295 54.840 -0.105 0.000 0.752 62 L CB -0.305 41.686 42.059 -0.113 0.000 0.896 62 L HN 0.264 nan 8.230 nan 0.000 0.433 63 M N -1.636 117.893 119.600 -0.118 0.000 2.236 63 M HA -0.114 4.366 4.480 -0.000 0.000 0.266 63 M C 2.198 178.465 176.300 -0.055 0.000 1.070 63 M CA 0.881 56.105 55.300 -0.127 0.000 1.137 63 M CB -0.075 32.393 32.600 -0.220 0.000 1.378 63 M HN -0.001 nan 8.290 nan 0.000 0.426 64 V N 0.049 119.900 119.914 -0.106 0.000 2.490 64 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 64 V C 2.246 178.326 176.094 -0.023 0.000 1.061 64 V CA 2.081 64.342 62.300 -0.065 0.000 1.064 64 V CB -0.902 30.882 31.823 -0.065 0.000 0.670 64 V HN 0.493 nan 8.190 nan 0.000 0.461 65 T N 0.166 114.703 114.554 -0.029 0.000 2.777 65 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 65 T C 1.929 176.650 174.700 0.035 0.000 1.040 65 T CA 1.430 63.510 62.100 -0.032 0.000 1.141 65 T CB -0.549 68.312 68.868 -0.012 0.000 0.868 65 T HN 0.611 nan 8.240 nan 0.000 0.444 66 G N 1.202 110.118 108.800 0.193 0.000 2.440 66 G HA2 -0.088 3.871 3.960 -0.000 0.000 0.218 66 G HA3 -0.088 3.871 3.960 -0.000 0.000 0.218 66 G C 1.819 176.957 174.900 0.397 0.000 1.154 66 G CA 0.905 46.267 45.100 0.436 0.000 0.767 66 G HN 0.572 nan 8.290 nan 0.000 0.552 67 A N 0.258 123.258 122.820 0.301 0.000 1.972 67 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 67 A C 2.281 179.843 177.584 -0.037 0.000 1.169 67 A CA 1.819 53.936 52.037 0.134 0.000 0.635 67 A CB -0.387 18.700 19.000 0.145 0.000 0.810 67 A HN 0.460 nan 8.150 nan 0.000 0.446 68 Q N -1.659 118.065 119.800 -0.127 0.000 2.291 68 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 68 Q C 1.427 177.177 176.000 -0.417 0.000 0.976 68 Q CA 1.453 57.070 55.803 -0.311 0.000 0.875 68 Q CB -0.307 28.204 28.738 -0.377 0.000 0.927 68 Q HN 0.872 nan 8.270 nan 0.000 0.450 69 Y N -0.126 120.143 120.300 -0.051 0.000 2.421 69 Y HA -0.184 4.365 4.550 -0.001 0.000 0.292 69 Y C 2.146 178.022 175.900 -0.040 0.000 1.136 69 Y CA 1.020 59.127 58.100 0.012 0.000 1.255 69 Y CB -0.294 38.184 38.460 0.030 0.000 0.991 69 Y HN 0.201 nan 8.280 nan 0.000 0.552 70 M N 0.103 119.714 119.600 0.019 0.000 2.159 70 M HA -0.235 4.245 4.480 -0.000 0.000 0.263 70 M C 1.057 177.369 176.300 0.020 0.000 1.063 70 M CA 2.121 57.422 55.300 0.001 0.000 1.110 70 M CB -0.013 32.554 32.600 -0.054 0.000 1.374 70 M HN 0.053 nan 8.290 nan 0.000 0.411 71 D N -0.408 119.957 120.400 -0.058 0.000 2.103 71 D HA -0.138 4.501 4.640 -0.000 0.000 0.199 71 D C 1.980 178.289 176.300 0.015 0.000 0.978 71 D CA 1.267 55.237 54.000 -0.051 0.000 0.829 71 D CB -0.579 40.130 40.800 -0.152 0.000 0.981 71 D HN 0.478 nan 8.370 nan 0.000 0.464 72 H N 0.288 119.388 119.070 0.050 0.000 2.387 72 H HA -0.016 4.540 4.556 -0.000 0.000 0.299 72 H C 2.356 177.746 175.328 0.104 0.000 1.090 72 H CA 0.640 56.719 56.048 0.051 0.000 1.332 72 H CB -0.469 29.306 29.762 0.021 0.000 1.386 72 H HN 0.177 nan 8.280 nan 0.000 0.516 73 L N 0.167 121.545 121.223 0.259 0.000 2.017 73 L HA -0.174 4.165 4.340 -0.000 0.000 0.208 73 L C 2.865 179.951 176.870 0.361 0.000 1.073 73 L CA 1.390 56.408 54.840 0.296 0.000 0.745 73 L CB -0.320 41.900 42.059 0.268 0.000 0.894 73 L HN 0.158 nan 8.230 nan 0.000 0.432 74 R N 0.444 121.092 120.500 0.246 0.000 2.073 74 R HA -0.152 4.188 4.340 -0.000 0.000 0.229 74 R C 2.011 178.439 176.300 0.214 0.000 1.120 74 R CA 1.423 57.641 56.100 0.196 0.000 0.967 74 R CB -0.029 30.356 30.300 0.141 0.000 0.862 74 R HN 0.387 nan 8.270 nan 0.000 0.436 75 E N 0.194 120.534 120.200 0.234 0.000 2.274 75 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 75 E C 1.865 178.689 176.600 0.374 0.000 0.996 75 E CA 1.088 57.658 56.400 0.283 0.000 0.840 75 E CB 0.157 30.027 29.700 0.284 0.000 0.772 75 E HN 0.460 nan 8.360 nan 0.000 0.491 76 S N 0.984 116.882 115.700 0.330 0.000 2.419 76 S HA -0.170 4.300 4.470 -0.000 0.000 0.235 76 S C 2.175 177.100 174.600 0.541 0.000 1.019 76 S CA 0.935 59.364 58.200 0.380 0.000 0.982 76 S CB -0.165 63.163 63.200 0.214 0.000 0.789 76 S HN 0.275 nan 8.310 nan 0.000 0.490 77 A N 1.784 124.835 122.820 0.385 0.000 1.969 77 A HA 0.278 4.597 4.320 -0.000 0.000 0.218 77 A C 2.390 180.105 177.584 0.218 0.000 1.169 77 A CA 1.273 53.474 52.037 0.273 0.000 0.635 77 A CB -1.686 17.387 19.000 0.121 0.000 0.810 77 A HN 0.671 nan 8.150 nan 0.000 0.445 78 G N -1.346 107.580 108.800 0.211 0.000 2.462 78 G HA2 -0.156 3.803 3.960 -0.000 0.000 0.220 78 G HA3 -0.156 3.803 3.960 -0.000 0.000 0.220 78 G C 0.962 175.789 174.900 -0.121 0.000 1.121 78 G CA 0.929 46.035 45.100 0.009 0.000 0.758 78 G HN 0.507 nan 8.290 nan 0.000 0.559 79 F N 0.129 120.180 119.950 0.169 0.000 2.639 79 F HA 0.402 4.929 4.527 -0.001 0.000 0.300 79 F C 1.756 177.609 175.800 0.088 0.000 1.109 79 F CA 0.259 58.356 58.000 0.161 0.000 1.335 79 F CB 0.813 39.967 39.000 0.256 0.000 1.014 79 F HN 0.211 nan 8.300 nan 0.000 0.537 80 G N -0.960 107.948 108.800 0.180 0.000 2.159 80 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.227 80 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.227 80 G C -0.232 174.631 174.900 -0.061 0.000 0.986 80 G CA -0.792 44.307 45.100 -0.001 0.000 0.651 80 G HN 0.249 nan 8.290 nan 0.000 0.523 81 W N 1.181 122.577 121.300 0.161 0.000 2.287 81 W HA 0.636 5.296 4.660 -0.001 0.000 0.313 81 W C 0.625 177.243 176.519 0.166 0.000 1.267 81 W CA -0.239 57.220 57.345 0.190 0.000 1.201 81 W CB 0.706 30.319 29.460 0.255 0.000 1.196 81 W HN 0.140 nan 8.180 nan 0.000 0.536 82 E N 3.354 123.773 120.200 0.364 0.000 2.234 82 E HA 0.545 4.895 4.350 -0.000 0.000 0.266 82 E C -0.942 175.873 176.600 0.359 0.000 0.877 82 E CA -0.829 55.685 56.400 0.190 0.000 0.758 82 E CB 1.560 31.310 29.700 0.083 0.000 1.170 82 E HN 0.290 nan 8.360 nan 0.000 0.415 83 F N -0.915 119.118 119.950 0.138 0.000 2.779 83 F HA 0.400 4.927 4.527 -0.001 0.000 0.316 83 F C -1.017 174.830 175.800 0.078 0.000 1.164 83 F CA -1.499 56.565 58.000 0.107 0.000 0.924 83 F CB 0.654 39.721 39.000 0.113 0.000 1.348 83 F HN 0.134 nan 8.300 nan 0.000 0.467 84 D N 0.986 121.533 120.400 0.244 0.000 2.383 84 D HA 0.282 4.922 4.640 -0.000 0.000 0.245 84 D C 1.274 177.650 176.300 0.127 0.000 1.263 84 D CA 0.478 54.544 54.000 0.110 0.000 0.936 84 D CB 1.087 41.961 40.800 0.125 0.000 1.053 84 D HN 0.849 nan 8.370 nan 0.000 0.507 85 G N 2.477 111.241 108.800 -0.061 0.000 2.422 85 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.218 85 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.218 85 G C 1.508 176.447 174.900 0.065 0.000 1.146 85 G CA 1.019 46.103 45.100 -0.026 0.000 0.769 85 G HN 0.567 nan 8.290 nan 0.000 0.547 86 S N 1.108 116.834 115.700 0.043 0.000 2.442 86 S HA -0.124 4.346 4.470 -0.000 0.000 0.236 86 S C 2.282 176.925 174.600 0.072 0.000 1.007 86 S CA 1.716 59.946 58.200 0.050 0.000 0.965 86 S CB -0.437 62.784 63.200 0.035 0.000 0.773 86 S HN 0.581 nan 8.310 nan 0.000 0.504 87 S N 0.436 116.197 115.700 0.102 0.000 2.562 87 S HA 0.222 4.691 4.470 -0.000 0.000 0.221 87 S C 0.467 175.130 174.600 0.105 0.000 0.975 87 S CA -0.258 58.002 58.200 0.100 0.000 0.918 87 S CB -0.547 62.717 63.200 0.106 0.000 0.772 87 S HN 0.298 nan 8.310 nan 0.000 0.531 88 V N 2.687 122.679 119.914 0.131 0.000 2.479 88 V HA 0.318 4.438 4.120 -0.000 0.000 0.281 88 V C 0.114 176.257 176.094 0.081 0.000 1.031 88 V CA 0.043 62.415 62.300 0.120 0.000 1.038 88 V CB 0.415 32.336 31.823 0.164 0.000 0.981 88 V HN 0.482 nan 8.190 nan 0.000 0.478 89 K N 4.245 124.684 120.400 0.066 0.000 2.371 89 K HA 0.781 5.100 4.320 -0.000 0.000 0.251 89 K C -0.668 175.977 176.600 0.074 0.000 0.934 89 K CA -0.651 55.678 56.287 0.069 0.000 0.798 89 K CB 1.934 34.477 32.500 0.073 0.000 1.204 89 K HN 0.698 nan 8.250 nan 0.000 0.427 90 A N 3.545 126.420 122.820 0.092 0.000 2.260 90 A HA 0.274 4.593 4.320 -0.000 0.000 0.312 90 A C -0.827 176.953 177.584 0.326 0.000 1.321 90 A CA -0.663 51.456 52.037 0.137 0.000 0.928 90 A CB 0.199 19.166 19.000 -0.054 0.000 1.158 90 A HN 0.717 nan 8.150 nan 0.000 0.542 91 N N 3.320 122.221 118.700 0.335 0.000 2.589 91 N HA 0.007 4.747 4.740 -0.000 0.000 0.232 91 N C 0.777 176.492 175.510 0.342 0.000 1.015 91 N CA -0.652 52.577 53.050 0.298 0.000 0.931 91 N CB 0.308 38.895 38.487 0.167 0.000 1.150 91 N HN 0.885 nan 8.380 nan 0.000 0.512 92 W N 4.684 126.078 121.300 0.156 0.000 2.358 92 W HA -0.150 4.509 4.660 -0.000 0.000 0.303 92 W C 0.847 177.348 176.519 -0.031 0.000 1.208 92 W CA 1.067 58.404 57.345 -0.013 0.000 1.274 92 W CB 0.269 29.759 29.460 0.050 0.000 1.138 92 W HN 0.502 nan 8.180 nan 0.000 0.515 93 K N 0.423 120.913 120.400 0.150 0.000 2.063 93 K HA -0.260 4.059 4.320 -0.000 0.000 0.208 93 K C 2.027 178.577 176.600 -0.083 0.000 1.048 93 K CA 2.089 58.383 56.287 0.013 0.000 0.928 93 K CB -0.272 32.292 32.500 0.108 0.000 0.713 93 K HN -0.153 nan 8.250 nan 0.000 0.442 94 K N 1.286 121.665 120.400 -0.035 0.000 2.025 94 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 94 K C 1.872 178.393 176.600 -0.131 0.000 1.049 94 K CA 1.063 57.320 56.287 -0.050 0.000 0.933 94 K CB -0.541 31.959 32.500 0.000 0.000 0.714 94 K HN 0.046 nan 8.250 nan 0.000 0.438 95 L N 0.631 121.735 121.223 -0.199 0.000 1.990 95 L HA -0.176 4.163 4.340 -0.000 0.000 0.213 95 L C 1.958 178.577 176.870 -0.418 0.000 1.072 95 L CA 1.779 56.419 54.840 -0.334 0.000 0.755 95 L CB -0.536 41.175 42.059 -0.581 0.000 0.889 95 L HN 0.234 nan 8.230 nan 0.000 0.432 96 I N -0.021 120.212 120.570 -0.562 0.000 2.252 96 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 96 I C 2.688 178.655 176.117 -0.250 0.000 1.102 96 I CA 1.470 62.477 61.300 -0.487 0.000 1.385 96 I CB -2.026 35.641 38.000 -0.555 0.000 1.064 96 I HN 0.405 nan 8.210 nan 0.000 0.414 97 A N 0.824 123.543 122.820 -0.170 0.000 1.930 97 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 97 A C 2.570 180.102 177.584 -0.087 0.000 1.175 97 A CA 1.729 53.718 52.037 -0.080 0.000 0.627 97 A CB -0.654 18.322 19.000 -0.041 0.000 0.815 97 A HN 0.399 nan 8.150 nan 0.000 0.443 98 A N 0.001 122.754 122.820 -0.113 0.000 1.873 98 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 98 A C 2.176 179.687 177.584 -0.122 0.000 1.186 98 A CA 1.882 53.860 52.037 -0.099 0.000 0.616 98 A CB -0.441 18.504 19.000 -0.092 0.000 0.823 98 A HN 0.422 nan 8.150 nan 0.000 0.442 99 K N 0.122 120.419 120.400 -0.172 0.000 2.032 99 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 99 K C 1.586 178.051 176.600 -0.224 0.000 1.048 99 K CA 1.935 58.100 56.287 -0.202 0.000 0.927 99 K CB -0.485 31.864 32.500 -0.252 0.000 0.712 99 K HN 0.407 nan 8.250 nan 0.000 0.441 100 N N 1.474 120.050 118.700 -0.206 0.000 2.069 100 N HA -0.193 4.547 4.740 -0.000 0.000 0.191 100 N C 1.761 177.202 175.510 -0.115 0.000 1.031 100 N CA 1.525 54.453 53.050 -0.202 0.000 0.852 100 N CB -0.410 38.093 38.487 0.026 0.000 1.018 100 N HN 0.360 nan 8.380 nan 0.000 0.423 101 E N 0.723 120.888 120.200 -0.057 0.000 2.153 101 E HA -0.020 4.330 4.350 -0.000 0.000 0.194 101 E C 1.663 178.236 176.600 -0.045 0.000 0.988 101 E CA 1.279 57.666 56.400 -0.022 0.000 0.811 101 E CB -0.263 29.424 29.700 -0.021 0.000 0.746 101 E HN 0.342 nan 8.360 nan 0.000 0.466 102 A N -0.254 122.515 122.820 -0.085 0.000 1.930 102 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 102 A C 2.404 179.935 177.584 -0.089 0.000 1.176 102 A CA 1.171 53.159 52.037 -0.081 0.000 0.632 102 A CB -0.405 18.540 19.000 -0.092 0.000 0.819 102 A HN 0.191 nan 8.150 nan 0.000 0.445 103 V N -0.198 119.623 119.914 -0.154 0.000 2.358 103 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 103 V C 2.458 178.534 176.094 -0.030 0.000 1.047 103 V CA 1.802 64.005 62.300 -0.161 0.000 1.035 103 V CB -0.708 30.890 31.823 -0.375 0.000 0.658 103 V HN 0.578 nan 8.190 nan 0.000 0.452 104 L N 0.618 121.853 121.223 0.020 0.000 1.989 104 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 104 L C 2.160 179.070 176.870 0.066 0.000 1.071 104 L CA 2.153 57.076 54.840 0.139 0.000 0.749 104 L CB -1.025 41.133 42.059 0.165 0.000 0.890 104 L HN 0.302 nan 8.230 nan 0.000 0.431 105 D N -0.278 120.137 120.400 0.024 0.000 2.191 105 D HA -0.262 4.378 4.640 -0.000 0.000 0.195 105 D C 2.242 178.549 176.300 0.011 0.000 1.003 105 D CA 2.128 56.131 54.000 0.005 0.000 0.867 105 D CB -0.193 40.597 40.800 -0.017 0.000 0.926 105 D HN 0.484 nan 8.370 nan 0.000 0.450 106 I N 0.647 121.235 120.570 0.029 0.000 2.333 106 I HA -0.173 3.997 4.170 -0.000 0.000 0.246 106 I C 2.064 178.291 176.117 0.182 0.000 1.106 106 I CA 0.386 61.731 61.300 0.076 0.000 1.411 106 I CB -0.156 37.894 38.000 0.084 0.000 1.082 106 I HN -0.084 nan 8.210 nan 0.000 0.420 107 N N 1.579 120.362 118.700 0.138 0.000 2.036 107 N HA -0.227 4.513 4.740 -0.000 0.000 0.195 107 N C 1.775 177.345 175.510 0.099 0.000 1.037 107 N CA 1.590 54.712 53.050 0.120 0.000 0.855 107 N CB -0.339 38.197 38.487 0.082 0.000 1.033 107 N HN 0.390 nan 8.380 nan 0.000 0.423 108 K N 0.626 121.061 120.400 0.058 0.000 2.057 108 K HA -0.066 4.253 4.320 -0.000 0.000 0.207 108 K C 2.288 178.897 176.600 0.016 0.000 1.049 108 K CA 1.518 57.822 56.287 0.028 0.000 0.931 108 K CB -0.230 32.278 32.500 0.013 0.000 0.714 108 K HN 0.223 nan 8.250 nan 0.000 0.440 109 S N 0.021 115.714 115.700 -0.013 0.000 2.447 109 S HA -0.140 4.330 4.470 -0.000 0.000 0.233 109 S C 1.861 176.378 174.600 -0.138 0.000 1.006 109 S CA 0.671 58.815 58.200 -0.092 0.000 0.957 109 S CB -0.358 62.751 63.200 -0.151 0.000 0.773 109 S HN 0.280 nan 8.310 nan 0.000 0.507 110 Y N 1.868 122.142 120.300 -0.044 0.000 2.439 110 Y HA 0.100 4.650 4.550 -0.000 0.000 0.292 110 Y C 2.603 178.549 175.900 0.077 0.000 1.130 110 Y CA 1.318 59.406 58.100 -0.020 0.000 1.254 110 Y CB -0.184 38.267 38.460 -0.015 0.000 1.000 110 Y HN 0.510 nan 8.280 nan 0.000 0.554 111 E N -0.449 119.847 120.200 0.159 0.000 2.051 111 E HA -0.095 4.254 4.350 -0.000 0.000 0.189 111 E C 2.568 179.242 176.600 0.124 0.000 0.979 111 E CA 0.865 57.331 56.400 0.109 0.000 0.803 111 E CB -0.496 29.206 29.700 0.004 0.000 0.761 111 E HN 0.414 nan 8.360 nan 0.000 0.451 112 G N 1.987 110.820 108.800 0.056 0.000 2.547 112 G HA2 -0.373 3.586 3.960 -0.000 0.000 0.221 112 G HA3 -0.373 3.586 3.960 -0.000 0.000 0.221 112 G C 1.581 176.502 174.900 0.035 0.000 1.140 112 G CA 1.264 46.381 45.100 0.028 0.000 0.760 112 G HN 0.365 nan 8.290 nan 0.000 0.583 113 M N -0.938 118.667 119.600 0.007 0.000 2.132 113 M HA 0.051 4.531 4.480 -0.000 0.000 0.263 113 M C 2.296 178.597 176.300 0.002 0.000 1.065 113 M CA 1.383 56.659 55.300 -0.040 0.000 1.122 113 M CB -0.167 32.318 32.600 -0.193 0.000 1.365 113 M HN 0.217 nan 8.290 nan 0.000 0.411 114 F N 1.243 121.230 119.950 0.062 0.000 2.113 114 F HA -0.186 4.341 4.527 -0.000 0.000 0.297 114 F C 2.174 178.004 175.800 0.050 0.000 1.103 114 F CA 1.466 59.508 58.000 0.070 0.000 1.248 114 F CB -0.838 38.189 39.000 0.044 0.000 0.999 114 F HN 0.283 nan 8.300 nan 0.000 0.475 115 N N 0.261 119.085 118.700 0.208 0.000 2.272 115 N HA -0.166 4.574 4.740 -0.000 0.000 0.185 115 N C 1.065 176.622 175.510 0.079 0.000 1.014 115 N CA 1.587 54.706 53.050 0.116 0.000 0.870 115 N CB -0.526 38.009 38.487 0.080 0.000 0.975 115 N HN 0.313 nan 8.380 nan 0.000 0.433 116 D N -0.708 119.735 120.400 0.071 0.000 2.346 116 D HA 0.043 4.683 4.640 -0.000 0.000 0.206 116 D C -0.016 176.305 176.300 0.035 0.000 1.001 116 D CA 0.625 54.654 54.000 0.048 0.000 0.871 116 D CB 0.111 40.939 40.800 0.047 0.000 0.943 116 D HN 0.027 nan 8.370 nan 0.000 0.518 117 T N 1.721 116.298 114.554 0.039 0.000 2.756 117 T HA 0.248 4.598 4.350 -0.000 0.000 0.290 117 T C 0.002 174.694 174.700 -0.014 0.000 0.985 117 T CA -0.765 61.321 62.100 -0.022 0.000 0.955 117 T CB 1.280 70.124 68.868 -0.039 0.000 0.930 117 T HN 0.113 nan 8.240 nan 0.000 0.451 118 E N 1.971 122.147 120.200 -0.039 0.000 2.354 118 E HA 0.475 4.825 4.350 -0.000 0.000 0.269 118 E C 0.937 177.531 176.600 -0.010 0.000 1.036 118 E CA -0.547 55.848 56.400 -0.008 0.000 0.876 118 E CB 0.504 30.193 29.700 -0.018 0.000 1.009 118 E HN 0.764 nan 8.360 nan 0.000 0.416 119 G N 2.156 110.984 108.800 0.046 0.000 2.143 119 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.249 119 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.249 119 G C -0.430 174.537 174.900 0.111 0.000 0.981 119 G CA 0.263 45.408 45.100 0.075 0.000 0.665 119 G HN 0.513 nan 8.290 nan 0.000 0.528 120 L N 1.140 122.441 121.223 0.129 0.000 2.415 120 L HA 0.736 5.075 4.340 -0.000 0.000 0.268 120 L C -0.982 176.068 176.870 0.301 0.000 0.984 120 L CA -1.092 53.859 54.840 0.185 0.000 0.853 120 L CB 1.388 43.498 42.059 0.085 0.000 1.215 120 L HN 0.125 nan 8.230 nan 0.000 0.419 121 D N 3.482 124.028 120.400 0.243 0.000 2.342 121 D HA 0.438 5.078 4.640 -0.000 0.000 0.243 121 D C -1.439 174.761 176.300 -0.166 0.000 1.019 121 D CA -0.031 53.999 54.000 0.049 0.000 0.864 121 D CB 1.851 42.594 40.800 -0.095 0.000 1.315 121 D HN 0.333 nan 8.370 nan 0.000 0.468 122 F N 2.539 122.113 119.950 -0.627 0.000 2.411 122 F HA 0.515 5.042 4.527 -0.000 0.000 0.352 122 F C -1.526 173.797 175.800 -0.795 0.000 1.123 122 F CA -0.923 56.586 58.000 -0.817 0.000 1.044 122 F CB 0.344 38.669 39.000 -1.124 0.000 1.135 122 F HN 0.184 nan 8.300 nan 0.000 0.461 123 F N 7.124 126.406 119.950 -1.113 0.000 2.426 123 F HA 0.426 4.953 4.527 -0.000 0.000 0.348 123 F C -0.577 174.507 175.800 -1.193 0.000 1.124 123 F CA -1.038 56.441 58.000 -0.869 0.000 1.008 123 F CB 1.520 40.244 39.000 -0.461 0.000 1.139 123 F HN 0.322 nan 8.300 nan 0.000 0.452 124 L N 4.129 124.988 121.223 -0.606 0.000 2.278 124 L HA 0.848 5.188 4.340 -0.000 0.000 0.287 124 L C 0.067 176.831 176.870 -0.176 0.000 1.072 124 L CA 0.579 55.213 54.840 -0.343 0.000 0.819 124 L CB 0.066 42.101 42.059 -0.039 0.000 1.176 124 L HN 0.767 nan 8.230 nan 0.000 0.435 125 G N 3.046 111.704 108.800 -0.236 0.000 2.350 125 G HA2 0.026 3.986 3.960 -0.000 0.000 0.276 125 G HA3 0.026 3.986 3.960 -0.000 0.000 0.276 125 G C -2.166 172.510 174.900 -0.374 0.000 1.313 125 G CA -0.758 44.240 45.100 -0.171 0.000 0.903 125 G HN 0.477 nan 8.290 nan 0.000 0.490 126 W N 0.877 122.087 121.300 -0.151 0.000 2.349 126 W HA 0.611 5.271 4.660 -0.000 0.000 0.309 126 W C 0.588 177.029 176.519 -0.129 0.000 1.083 126 W CA 0.084 57.332 57.345 -0.162 0.000 1.224 126 W CB 1.922 31.271 29.460 -0.185 0.000 1.256 126 W HN 0.873 nan 8.180 nan 0.000 0.461 127 G N 2.142 110.952 108.800 0.018 0.000 2.322 127 G HA2 0.569 4.528 3.960 -0.000 0.000 0.309 127 G HA3 0.569 4.528 3.960 -0.000 0.000 0.309 127 G C -0.644 174.268 174.900 0.021 0.000 1.121 127 G CA -0.536 44.559 45.100 -0.008 0.000 0.886 127 G HN 0.363 nan 8.290 nan 0.000 0.447 128 S N 1.508 117.212 115.700 0.007 0.000 2.599 128 S HA 0.611 5.080 4.470 -0.000 0.000 0.294 128 S C -0.792 173.802 174.600 -0.012 0.000 1.094 128 S CA -0.997 57.205 58.200 0.003 0.000 0.931 128 S CB 1.816 65.017 63.200 0.002 0.000 1.093 128 S HN 0.291 nan 8.310 nan 0.000 0.488 129 L N 2.331 123.548 121.223 -0.011 0.000 2.385 129 L HA 0.365 4.704 4.340 -0.000 0.000 0.281 129 L C 1.570 178.428 176.870 -0.019 0.000 1.106 129 L CA 0.320 55.150 54.840 -0.016 0.000 0.856 129 L CB -0.274 41.776 42.059 -0.016 0.000 1.186 129 L HN 1.006 nan 8.230 nan 0.000 0.453 130 E N 1.898 122.084 120.200 -0.022 0.000 2.028 130 E HA -0.042 4.308 4.350 -0.000 0.000 0.190 130 E C 0.088 176.675 176.600 -0.022 0.000 0.984 130 E CA 1.018 57.404 56.400 -0.023 0.000 0.800 130 E CB 0.511 30.196 29.700 -0.024 0.000 0.758 130 E HN 0.760 nan 8.360 nan 0.000 0.448 131 S N -2.022 113.664 115.700 -0.023 0.000 2.643 131 S HA 0.229 4.698 4.470 -0.000 0.000 0.270 131 S C 0.224 174.806 174.600 -0.030 0.000 1.166 131 S CA -0.831 57.353 58.200 -0.025 0.000 0.815 131 S CB 1.128 64.314 63.200 -0.024 0.000 1.139 131 S HN 0.068 nan 8.310 nan 0.000 0.472 132 K N 0.663 121.042 120.400 -0.035 0.000 2.248 132 K HA -0.269 4.051 4.320 -0.000 0.000 0.208 132 K C 0.341 176.911 176.600 -0.049 0.000 1.044 132 K CA 2.472 58.730 56.287 -0.047 0.000 0.933 132 K CB -0.515 31.956 32.500 -0.048 0.000 0.723 132 K HN 0.688 nan 8.250 nan 0.000 0.475 133 N N -1.401 117.278 118.700 -0.035 0.000 2.143 133 N HA 0.092 4.832 4.740 -0.000 0.000 0.229 133 N C -1.480 174.026 175.510 -0.007 0.000 1.294 133 N CA -0.296 52.739 53.050 -0.025 0.000 0.883 133 N CB 1.664 40.134 38.487 -0.028 0.000 1.148 133 N HN -0.172 nan 8.380 nan 0.000 0.511 134 V N 1.053 120.959 119.914 -0.012 0.000 2.540 134 V HA 0.507 4.627 4.120 -0.000 0.000 0.302 134 V C -0.327 175.757 176.094 -0.017 0.000 1.035 134 V CA -0.937 61.356 62.300 -0.011 0.000 0.873 134 V CB 2.234 34.045 31.823 -0.019 0.000 0.992 134 V HN -0.256 nan 8.190 nan 0.000 0.428 135 V N 5.118 125.018 119.914 -0.022 0.000 2.384 135 V HA 0.492 4.612 4.120 -0.000 0.000 0.287 135 V C -0.105 175.951 176.094 -0.063 0.000 1.020 135 V CA -0.458 61.819 62.300 -0.038 0.000 0.850 135 V CB 1.972 33.770 31.823 -0.041 0.000 0.987 135 V HN 0.691 nan 8.190 nan 0.000 0.436 136 V N 5.368 125.249 119.914 -0.054 0.000 2.713 136 V HA 0.576 4.696 4.120 -0.000 0.000 0.307 136 V C -0.195 175.861 176.094 -0.063 0.000 1.052 136 V CA -0.695 61.568 62.300 -0.062 0.000 0.967 136 V CB 1.907 33.707 31.823 -0.039 0.000 1.019 136 V HN 0.553 nan 8.190 nan 0.000 0.459 137 V N 4.459 124.328 119.914 -0.075 0.000 2.407 137 V HA 0.531 4.650 4.120 -0.000 0.000 0.291 137 V C 0.034 176.123 176.094 -0.010 0.000 1.018 137 V CA -0.676 61.589 62.300 -0.058 0.000 0.842 137 V CB 1.238 32.985 31.823 -0.125 0.000 0.996 137 V HN 0.886 nan 8.190 nan 0.000 0.426 138 R N 2.517 123.047 120.500 0.050 0.000 2.782 138 R HA 0.538 4.878 4.340 -0.000 0.000 0.258 138 R C 0.482 176.857 176.300 0.125 0.000 1.055 138 R CA -0.885 55.249 56.100 0.058 0.000 1.065 138 R CB 1.615 31.928 30.300 0.022 0.000 1.172 138 R HN 0.500 nan 8.270 nan 0.000 0.510 139 E N 0.623 120.870 120.200 0.079 0.000 2.208 139 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 139 E C 0.693 177.389 176.600 0.161 0.000 0.988 139 E CA 1.370 57.838 56.400 0.113 0.000 0.828 139 E CB 0.314 30.050 29.700 0.059 0.000 0.763 139 E HN 0.697 nan 8.360 nan 0.000 0.478 140 T N -4.908 109.623 114.554 -0.038 0.000 2.754 140 T HA 0.566 4.915 4.350 -0.000 0.000 0.296 140 T C 0.674 174.826 174.700 -0.913 0.000 1.205 140 T CA -0.164 61.640 62.100 -0.494 0.000 1.009 140 T CB 1.467 70.151 68.868 -0.307 0.000 1.368 140 T HN -0.158 nan 8.240 nan 0.000 0.509 141 A N 0.026 121.945 122.820 -1.502 0.000 2.119 141 A HA 0.182 4.501 4.320 -0.000 0.000 0.217 141 A C 0.951 178.230 177.584 -0.509 0.000 1.153 141 A CA 0.669 52.005 52.037 -1.168 0.000 0.692 141 A CB -0.908 17.204 19.000 -1.479 0.000 0.799 141 A HN 0.838 nan 8.150 nan 0.000 0.458 142 D N 0.588 120.754 120.400 -0.390 0.000 2.450 142 D HA 0.096 4.736 4.640 -0.000 0.000 0.247 142 D C -1.673 174.533 176.300 -0.158 0.000 1.162 142 D CA -1.769 52.099 54.000 -0.220 0.000 0.879 142 D CB 1.066 41.764 40.800 -0.170 0.000 1.163 142 D HN 0.126 nan 8.370 nan 0.000 0.472 143 P HA -0.025 nan 4.420 nan 0.000 0.251 143 P C 0.326 177.589 177.300 -0.063 0.000 1.251 143 P CA 0.602 63.656 63.100 -0.077 0.000 0.763 143 P CB 0.256 31.919 31.700 -0.061 0.000 1.067 144 K N -0.561 119.798 120.400 -0.069 0.000 2.402 144 K HA 0.103 4.422 4.320 -0.000 0.000 0.203 144 K C 0.903 177.473 176.600 -0.051 0.000 1.077 144 K CA -0.013 56.242 56.287 -0.053 0.000 1.051 144 K CB 0.570 33.041 32.500 -0.049 0.000 0.907 144 K HN 0.130 nan 8.250 nan 0.000 0.554 145 S N 0.630 116.292 115.700 -0.065 0.000 2.589 145 S HA 0.281 4.751 4.470 -0.000 0.000 0.265 145 S C 0.400 174.981 174.600 -0.032 0.000 1.342 145 S CA -0.772 57.396 58.200 -0.054 0.000 1.005 145 S CB 1.037 64.190 63.200 -0.079 0.000 0.909 145 S HN 0.178 nan 8.310 nan 0.000 0.555 146 A N 1.847 124.656 122.820 -0.019 0.000 2.484 146 A HA 0.441 4.760 4.320 -0.000 0.000 0.268 146 A C 0.374 177.956 177.584 -0.003 0.000 1.114 146 A CA -0.655 51.377 52.037 -0.009 0.000 0.780 146 A CB -0.715 18.284 19.000 -0.001 0.000 1.061 146 A HN 0.874 nan 8.150 nan 0.000 0.505 147 V N 3.957 123.866 119.914 -0.009 0.000 2.814 147 V HA -0.058 4.062 4.120 -0.000 0.000 0.307 147 V C 1.281 177.371 176.094 -0.006 0.000 1.089 147 V CA 0.976 63.269 62.300 -0.012 0.000 1.212 147 V CB 0.597 32.409 31.823 -0.019 0.000 0.912 147 V HN 1.087 nan 8.190 nan 0.000 0.497 148 K N 1.653 122.046 120.400 -0.012 0.000 2.325 148 K HA 0.245 4.565 4.320 -0.000 0.000 0.203 148 K C 0.075 176.662 176.600 -0.022 0.000 1.128 148 K CA 0.199 56.483 56.287 -0.004 0.000 0.931 148 K CB 0.534 33.040 32.500 0.010 0.000 1.125 148 K HN 0.790 nan 8.250 nan 0.000 0.487 149 E N 0.526 120.683 120.200 -0.072 0.000 2.433 149 E HA 0.358 4.708 4.350 -0.000 0.000 0.278 149 E C -1.106 175.412 176.600 -0.137 0.000 0.976 149 E CA -0.725 55.602 56.400 -0.121 0.000 0.793 149 E CB 1.981 31.524 29.700 -0.260 0.000 1.311 149 E HN 0.003 nan 8.360 nan 0.000 0.460 150 R N 0.847 121.272 120.500 -0.125 0.000 2.483 150 R HA 0.496 4.836 4.340 -0.000 0.000 0.303 150 R C -0.601 175.643 176.300 -0.094 0.000 0.987 150 R CA -0.506 55.534 56.100 -0.099 0.000 0.881 150 R CB 1.342 31.608 30.300 -0.057 0.000 1.177 150 R HN 0.287 nan 8.270 nan 0.000 0.451 151 L N 2.940 124.103 121.223 -0.099 0.000 2.272 151 L HA 0.352 4.692 4.340 -0.000 0.000 0.289 151 L C 0.017 176.917 176.870 0.050 0.000 1.032 151 L CA -0.845 53.980 54.840 -0.025 0.000 0.810 151 L CB 1.419 43.402 42.059 -0.127 0.000 1.205 151 L HN 0.395 nan 8.230 nan 0.000 0.422 152 Q N 2.861 122.722 119.800 0.101 0.000 2.288 152 Q HA 0.620 4.959 4.340 -0.000 0.000 0.258 152 Q C -0.836 175.247 176.000 0.138 0.000 0.957 152 Q CA -0.091 55.755 55.803 0.073 0.000 0.919 152 Q CB 1.590 30.343 28.738 0.024 0.000 1.185 152 Q HN 0.685 nan 8.270 nan 0.000 0.408 153 A N 4.043 126.920 122.820 0.096 0.000 2.375 153 A HA 0.363 4.682 4.320 -0.000 0.000 0.295 153 A C -0.462 177.168 177.584 0.077 0.000 1.066 153 A CA -0.678 51.437 52.037 0.129 0.000 0.722 153 A CB 1.368 20.433 19.000 0.107 0.000 1.206 153 A HN 0.854 nan 8.150 nan 0.000 0.435 154 D N 0.398 120.866 120.400 0.113 0.000 2.137 154 D HA 0.041 4.680 4.640 -0.000 0.000 0.202 154 D C 0.270 176.433 176.300 -0.229 0.000 0.970 154 D CA 1.633 55.622 54.000 -0.018 0.000 0.837 154 D CB 0.131 40.996 40.800 0.108 0.000 0.981 154 D HN 0.687 nan 8.370 nan 0.000 0.475 155 H N -0.894 118.320 119.070 0.240 0.000 2.690 155 H HA 0.487 5.043 4.556 -0.000 0.000 0.368 155 H C -0.512 174.961 175.328 0.240 0.000 1.150 155 H CA -0.668 55.551 56.048 0.285 0.000 1.174 155 H CB 1.989 32.045 29.762 0.490 0.000 1.684 155 H HN -0.121 nan 8.280 nan 0.000 0.538 156 I N 3.132 123.863 120.570 0.268 0.000 2.447 156 I HA 0.089 4.259 4.170 -0.000 0.000 0.287 156 I C -0.929 175.327 176.117 0.232 0.000 1.023 156 I CA -0.792 60.611 61.300 0.171 0.000 1.083 156 I CB 2.246 40.269 38.000 0.039 0.000 1.245 156 I HN 0.104 nan 8.210 nan 0.000 0.434 157 L N 8.062 129.434 121.223 0.249 0.000 2.298 157 L HA 0.522 4.862 4.340 -0.000 0.000 0.284 157 L C -0.874 176.086 176.870 0.151 0.000 1.013 157 L CA -0.263 54.729 54.840 0.253 0.000 0.824 157 L CB 1.150 43.362 42.059 0.255 0.000 1.221 157 L HN 0.421 nan 8.230 nan 0.000 0.418 158 L N 6.123 127.424 121.223 0.131 0.000 2.260 158 L HA 0.665 5.004 4.340 -0.000 0.000 0.289 158 L C 0.453 177.380 176.870 0.096 0.000 1.057 158 L CA -0.233 54.660 54.840 0.089 0.000 0.811 158 L CB 1.019 43.120 42.059 0.069 0.000 1.184 158 L HN 0.837 nan 8.230 nan 0.000 0.429 159 A N 1.233 124.103 122.820 0.082 0.000 3.292 159 A HA 0.295 4.615 4.320 -0.000 0.000 0.231 159 A C 0.784 178.407 177.584 0.064 0.000 0.952 159 A CA -0.242 51.844 52.037 0.082 0.000 1.044 159 A CB -0.045 19.011 19.000 0.094 0.000 1.236 159 A HN 0.718 nan 8.150 nan 0.000 0.525 160 T N -3.219 111.370 114.554 0.058 0.000 3.107 160 T HA 0.461 4.810 4.350 -0.000 0.000 0.249 160 T C 1.366 176.113 174.700 0.078 0.000 1.096 160 T CA 1.044 63.172 62.100 0.047 0.000 1.012 160 T CB 0.005 68.892 68.868 0.032 0.000 0.977 160 T HN 2.065 nan 8.240 nan 0.000 0.527 161 G N 1.813 110.667 108.800 0.089 0.000 2.512 161 G HA2 -0.077 3.882 3.960 -0.000 0.000 0.254 161 G HA3 -0.077 3.882 3.960 -0.000 0.000 0.254 161 G C -0.047 174.937 174.900 0.140 0.000 1.199 161 G CA 0.124 45.290 45.100 0.111 0.000 0.941 161 G HN 1.548 nan 8.290 nan 0.000 0.569 162 S N -1.464 114.348 115.700 0.187 0.000 2.720 162 S HA 0.815 5.284 4.470 -0.000 0.000 0.287 162 S C -1.019 173.802 174.600 0.368 0.000 1.168 162 S CA 0.224 58.555 58.200 0.220 0.000 0.832 162 S CB 2.715 65.999 63.200 0.140 0.000 1.166 162 S HN 1.950 nan 8.310 nan 0.000 0.493 163 W N 0.734 122.075 121.300 0.068 0.000 3.363 163 W HA 0.417 5.077 4.660 -0.000 0.000 0.306 163 W C -3.456 173.102 176.519 0.066 0.000 1.253 163 W CA -2.037 55.355 57.345 0.078 0.000 1.195 163 W CB 1.692 31.206 29.460 0.090 0.000 1.366 163 W HN 0.506 nan 8.180 nan 0.000 0.551 164 P HA 0.016 nan 4.420 nan 0.000 0.271 164 P C -0.706 176.571 177.300 -0.038 0.000 1.220 164 P CA 0.501 63.475 63.100 -0.211 0.000 0.768 164 P CB 0.682 32.171 31.700 -0.352 0.000 0.848 165 Q N 2.914 122.729 119.800 0.025 0.000 2.314 165 Q HA 0.352 4.692 4.340 -0.000 0.000 0.258 165 Q C -0.805 175.217 176.000 0.037 0.000 0.954 165 Q CA -0.056 55.785 55.803 0.064 0.000 0.890 165 Q CB 0.388 29.165 28.738 0.065 0.000 1.210 165 Q HN 0.315 nan 8.270 nan 0.000 0.410 166 M N 5.487 125.118 119.600 0.051 0.000 2.253 166 M HA 0.430 4.909 4.480 -0.000 0.000 0.314 166 M C -2.277 174.042 176.300 0.032 0.000 1.019 166 M CA -2.300 53.018 55.300 0.030 0.000 0.932 166 M CB 1.152 33.772 32.600 0.033 0.000 1.606 166 M HN 0.625 nan 8.290 nan 0.000 0.430 167 P HA 0.310 nan 4.420 nan 0.000 0.274 167 P C -0.609 176.699 177.300 0.014 0.000 1.246 167 P CA -0.420 62.691 63.100 0.018 0.000 0.795 167 P CB 0.698 32.404 31.700 0.010 0.000 1.006 168 A N 2.597 125.426 122.820 0.014 0.000 3.168 168 A HA 0.396 4.716 4.320 -0.000 0.000 0.260 168 A C 0.830 178.417 177.584 0.006 0.000 1.598 168 A CA -0.663 51.381 52.037 0.012 0.000 1.285 168 A CB -1.599 17.409 19.000 0.015 0.000 1.149 168 A HN 0.545 nan 8.150 nan 0.000 0.630 169 I N -2.634 117.936 120.570 -0.000 0.000 2.525 169 I HA 0.627 4.797 4.170 -0.000 0.000 0.301 169 I C -2.731 173.386 176.117 0.000 0.000 0.992 169 I CA -3.072 58.225 61.300 -0.006 0.000 1.162 169 I CB 1.529 39.516 38.000 -0.023 0.000 1.332 169 I HN -0.017 nan 8.210 nan 0.000 0.458 170 P HA 0.123 nan 4.420 nan 0.000 0.262 170 P C 0.737 178.054 177.300 0.029 0.000 1.182 170 P CA 0.828 63.938 63.100 0.016 0.000 0.761 170 P CB 0.536 32.244 31.700 0.015 0.000 0.795 171 G N 3.025 111.862 108.800 0.060 0.000 2.143 171 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.248 171 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.248 171 G C 0.753 175.698 174.900 0.075 0.000 0.991 171 G CA 0.148 45.328 45.100 0.132 0.000 0.689 171 G HN 0.553 nan 8.290 nan 0.000 0.522 172 I N 1.617 122.195 120.570 0.013 0.000 2.454 172 I HA -0.079 4.091 4.170 -0.000 0.000 0.254 172 I C 2.484 178.575 176.117 -0.044 0.000 1.156 172 I CA 2.216 63.510 61.300 -0.011 0.000 1.433 172 I CB -0.080 37.915 38.000 -0.008 0.000 1.082 172 I HN 0.485 nan 8.210 nan 0.000 0.432 173 E N -0.666 119.471 120.200 -0.106 0.000 2.478 173 E HA -0.227 4.122 4.350 -0.000 0.000 0.198 173 E C 0.937 177.312 176.600 -0.375 0.000 1.046 173 E CA 1.114 57.384 56.400 -0.218 0.000 0.870 173 E CB -0.815 28.730 29.700 -0.259 0.000 0.818 173 E HN 0.614 nan 8.360 nan 0.000 0.527 174 H N -0.305 118.760 119.070 -0.010 0.000 2.529 174 H HA 0.230 4.786 4.556 -0.000 0.000 0.277 174 H C 0.160 175.470 175.328 -0.031 0.000 1.004 174 H CA -0.212 55.827 56.048 -0.016 0.000 1.167 174 H CB 0.113 29.865 29.762 -0.017 0.000 1.445 174 H HN 0.133 nan 8.280 nan 0.000 0.554 175 C N 1.578 120.886 119.300 0.013 0.000 2.358 175 C HA 0.549 5.008 4.460 -0.000 0.000 0.354 175 C C 1.136 176.104 174.990 -0.036 0.000 1.183 175 C CA -0.780 58.227 59.018 -0.018 0.000 2.150 175 C CB 1.128 28.850 27.740 -0.031 0.000 2.361 175 C HN 0.422 nan 8.230 nan 0.000 0.535 176 I N 0.291 120.828 120.570 -0.056 0.000 3.133 176 I HA 0.867 5.037 4.170 -0.000 0.000 0.311 176 I C 0.066 176.114 176.117 -0.115 0.000 1.072 176 I CA -0.187 61.067 61.300 -0.077 0.000 1.015 176 I CB 1.869 39.825 38.000 -0.072 0.000 1.233 176 I HN 0.681 nan 8.210 nan 0.000 0.473 177 S N 0.263 115.862 115.700 -0.168 0.000 2.798 177 S HA 0.383 4.853 4.470 -0.000 0.000 0.312 177 S C 0.908 175.327 174.600 -0.301 0.000 1.122 177 S CA 0.023 58.091 58.200 -0.221 0.000 0.949 177 S CB 1.064 64.101 63.200 -0.271 0.000 1.235 177 S HN 0.872 nan 8.310 nan 0.000 0.552 178 S N 1.188 116.683 115.700 -0.341 0.000 2.419 178 S HA -0.166 4.303 4.470 -0.000 0.000 0.233 178 S C 1.452 175.908 174.600 -0.239 0.000 1.016 178 S CA 1.154 59.058 58.200 -0.493 0.000 0.974 178 S CB -1.057 61.991 63.200 -0.253 0.000 0.786 178 S HN 0.672 nan 8.310 nan 0.000 0.492 179 N N 2.322 120.887 118.700 -0.225 0.000 2.036 179 N HA -0.136 4.604 4.740 -0.000 0.000 0.195 179 N C 1.664 177.106 175.510 -0.114 0.000 1.037 179 N CA 1.993 54.877 53.050 -0.277 0.000 0.855 179 N CB -0.608 37.272 38.487 -1.011 0.000 1.033 179 N HN 0.569 nan 8.380 nan 0.000 0.423 180 E N 0.573 120.658 120.200 -0.191 0.000 2.152 180 E HA 0.077 4.426 4.350 -0.000 0.000 0.192 180 E C 1.917 178.616 176.600 0.165 0.000 0.983 180 E CA 0.849 57.295 56.400 0.076 0.000 0.818 180 E CB -0.294 29.413 29.700 0.011 0.000 0.758 180 E HN 0.378 nan 8.360 nan 0.000 0.467 181 A N 0.304 123.104 122.820 -0.033 0.000 1.940 181 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 181 A C 1.686 179.347 177.584 0.128 0.000 1.176 181 A CA 1.098 53.112 52.037 -0.038 0.000 0.631 181 A CB -0.807 17.836 19.000 -0.596 0.000 0.814 181 A HN 0.249 nan 8.150 nan 0.000 0.446 182 F N -2.129 117.890 119.950 0.116 0.000 2.494 182 F HA -0.084 4.443 4.527 -0.001 0.000 0.298 182 F C 1.105 176.648 175.800 -0.427 0.000 1.106 182 F CA 1.092 59.019 58.000 -0.121 0.000 1.452 182 F CB -0.296 38.545 39.000 -0.264 0.000 1.085 182 F HN 0.355 nan 8.300 nan 0.000 0.569 183 Y N -1.454 119.079 120.300 0.390 0.000 2.717 183 Y HA 0.315 4.864 4.550 -0.000 0.000 0.250 183 Y C 0.358 176.450 175.900 0.321 0.000 1.149 183 Y CA -0.982 57.309 58.100 0.318 0.000 1.211 183 Y CB -0.250 38.404 38.460 0.323 0.000 1.289 183 Y HN -0.290 nan 8.280 nan 0.000 0.552 184 L N 3.239 124.759 121.223 0.494 0.000 2.601 184 L HA -0.044 4.295 4.340 -0.000 0.000 0.277 184 L C -1.324 175.857 176.870 0.518 0.000 1.219 184 L CA -0.843 54.262 54.840 0.440 0.000 0.915 184 L CB 0.476 42.749 42.059 0.355 0.000 1.160 184 L HN 0.026 nan 8.230 nan 0.000 0.494 185 P HA -0.097 nan 4.420 nan 0.000 0.217 185 P C -0.099 177.411 177.300 0.350 0.000 1.150 185 P CA 1.320 64.600 63.100 0.300 0.000 0.832 185 P CB 0.303 32.112 31.700 0.181 0.000 0.787 186 E N -1.210 119.107 120.200 0.194 0.000 2.312 186 E HA 0.346 4.696 4.350 -0.000 0.000 0.267 186 E C -2.661 173.662 176.600 -0.463 0.000 0.894 186 E CA -2.721 53.688 56.400 0.015 0.000 0.773 186 E CB 1.125 30.818 29.700 -0.012 0.000 1.241 186 E HN -0.006 nan 8.360 nan 0.000 0.432 187 P HA 0.220 nan 4.420 nan 0.000 0.276 187 P C -2.473 174.512 177.300 -0.524 0.000 1.235 187 P CA -1.357 61.092 63.100 -1.086 0.000 0.772 187 P CB -0.023 31.280 31.700 -0.661 0.000 0.871 188 P HA 0.202 nan 4.420 nan 0.000 0.271 188 P C 0.746 177.887 177.300 -0.265 0.000 1.218 188 P CA -0.182 62.681 63.100 -0.395 0.000 0.780 188 P CB 1.277 32.643 31.700 -0.556 0.000 0.901 189 R N 2.329 122.722 120.500 -0.178 0.000 2.066 189 R HA 0.064 4.403 4.340 -0.000 0.000 0.224 189 R C 0.568 176.807 176.300 -0.101 0.000 1.122 189 R CA 0.928 56.963 56.100 -0.109 0.000 0.974 189 R CB 0.287 30.543 30.300 -0.074 0.000 0.871 189 R HN 0.421 nan 8.270 nan 0.000 0.435 190 R N -0.128 120.301 120.500 -0.118 0.000 2.534 190 R HA 0.455 4.795 4.340 -0.000 0.000 0.301 190 R C -1.793 174.414 176.300 -0.155 0.000 0.961 190 R CA -0.591 55.448 56.100 -0.101 0.000 0.871 190 R CB 2.704 32.967 30.300 -0.062 0.000 1.170 190 R HN 0.011 nan 8.270 nan 0.000 0.446 191 V N 4.454 124.275 119.914 -0.156 0.000 2.888 191 V HA 0.517 4.637 4.120 -0.000 0.000 0.309 191 V C -1.841 174.193 176.094 -0.100 0.000 1.114 191 V CA -0.944 61.223 62.300 -0.221 0.000 0.940 191 V CB 2.187 33.704 31.823 -0.509 0.000 1.021 191 V HN 0.600 nan 8.190 nan 0.000 0.426 192 L N 6.105 127.279 121.223 -0.081 0.000 2.298 192 L HA 0.774 5.113 4.340 -0.000 0.000 0.284 192 L C 0.215 177.092 176.870 0.011 0.000 1.013 192 L CA 0.334 55.173 54.840 -0.001 0.000 0.824 192 L CB 1.772 43.838 42.059 0.011 0.000 1.221 192 L HN 0.918 nan 8.230 nan 0.000 0.418 193 T N 2.381 116.979 114.554 0.074 0.000 2.744 193 T HA 0.600 4.950 4.350 -0.000 0.000 0.291 193 T C -0.276 174.483 174.700 0.097 0.000 0.957 193 T CA -0.681 61.481 62.100 0.103 0.000 1.002 193 T CB 0.977 69.951 68.868 0.175 0.000 0.919 193 T HN 0.316 nan 8.240 nan 0.000 0.468 194 V N 3.899 123.858 119.914 0.075 0.000 2.333 194 V HA 0.807 4.926 4.120 -0.000 0.000 0.274 194 V C 0.868 177.026 176.094 0.107 0.000 1.028 194 V CA 0.326 62.677 62.300 0.086 0.000 0.851 194 V CB 0.164 32.011 31.823 0.040 0.000 1.000 194 V HN 1.492 nan 8.190 nan 0.000 0.456 195 G N 3.540 112.432 108.800 0.155 0.000 2.334 195 G HA2 0.378 4.337 3.960 -0.000 0.000 0.566 195 G HA3 0.378 4.337 3.960 -0.000 0.000 0.566 195 G C -0.010 174.988 174.900 0.164 0.000 1.413 195 G CA -0.283 44.932 45.100 0.193 0.000 0.993 195 G HN 1.004 nan 8.290 nan 0.000 0.642 196 G N -0.622 108.238 108.800 0.101 0.000 3.993 196 G HA2 0.671 4.630 3.960 -0.000 0.000 0.294 196 G HA3 0.671 4.630 3.960 -0.000 0.000 0.294 196 G C 0.663 175.449 174.900 -0.189 0.000 1.043 196 G CA 1.126 46.106 45.100 -0.201 0.000 0.839 196 G HN 1.324 nan 8.290 nan 0.000 0.516 197 G N -0.297 108.497 108.800 -0.009 0.000 2.736 197 G HA2 0.475 4.435 3.960 -0.000 0.000 0.229 197 G HA3 0.475 4.435 3.960 -0.000 0.000 0.229 197 G C 0.585 175.536 174.900 0.085 0.000 1.380 197 G CA -0.755 44.381 45.100 0.059 0.000 1.040 197 G HN 0.017 nan 8.290 nan 0.000 0.568 198 F N -0.315 119.670 119.950 0.059 0.000 2.075 198 F HA 0.001 4.528 4.527 -0.001 0.000 0.297 198 F C 2.699 178.539 175.800 0.067 0.000 1.113 198 F CA 1.214 59.245 58.000 0.052 0.000 1.218 198 F CB -0.195 38.871 39.000 0.110 0.000 0.984 198 F HN 0.114 nan 8.300 nan 0.000 0.472 199 I N -1.155 119.624 120.570 0.347 0.000 2.179 199 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 199 I C 2.651 178.923 176.117 0.260 0.000 1.088 199 I CA 1.392 62.864 61.300 0.288 0.000 1.357 199 I CB -0.719 37.419 38.000 0.231 0.000 1.051 199 I HN 0.114 nan 8.210 nan 0.000 0.409 200 S N 0.589 116.399 115.700 0.184 0.000 2.359 200 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 200 S C 2.111 176.790 174.600 0.132 0.000 1.035 200 S CA 1.552 59.845 58.200 0.156 0.000 1.018 200 S CB -0.250 63.019 63.200 0.115 0.000 0.876 200 S HN 0.218 nan 8.310 nan 0.000 0.448 201 V N 1.862 121.817 119.914 0.068 0.000 2.261 201 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 201 V C 2.421 178.518 176.094 0.004 0.000 1.047 201 V CA 2.192 64.494 62.300 0.002 0.000 1.015 201 V CB -0.842 30.925 31.823 -0.093 0.000 0.642 201 V HN 0.545 nan 8.190 nan 0.000 0.446 202 E N -0.588 119.625 120.200 0.022 0.000 2.070 202 E HA -0.248 4.101 4.350 -0.000 0.000 0.197 202 E C 2.097 178.585 176.600 -0.186 0.000 1.004 202 E CA 1.749 58.115 56.400 -0.057 0.000 0.805 202 E CB -0.259 29.422 29.700 -0.032 0.000 0.744 202 E HN 0.572 nan 8.360 nan 0.000 0.451 203 F N 0.696 120.574 119.950 -0.119 0.000 2.206 203 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 203 F C 2.407 178.079 175.800 -0.214 0.000 1.090 203 F CA 0.950 58.765 58.000 -0.308 0.000 1.323 203 F CB -0.486 38.329 39.000 -0.307 0.000 1.028 203 F HN -0.020 nan 8.300 nan 0.000 0.492 204 A N 0.175 123.088 122.820 0.155 0.000 1.917 204 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 204 A C 2.549 180.189 177.584 0.094 0.000 1.182 204 A CA 2.058 54.202 52.037 0.177 0.000 0.633 204 A CB -1.641 17.429 19.000 0.117 0.000 0.819 204 A HN 0.419 nan 8.150 nan 0.000 0.448 205 G N -0.519 108.285 108.800 0.007 0.000 2.408 205 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.217 205 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.217 205 G C 1.523 176.426 174.900 0.005 0.000 1.150 205 G CA 0.993 46.088 45.100 -0.008 0.000 0.776 205 G HN 0.488 nan 8.290 nan 0.000 0.542 206 I N -0.143 120.380 120.570 -0.079 0.000 2.163 206 I HA -0.076 4.094 4.170 -0.000 0.000 0.240 206 I C 2.377 178.587 176.117 0.154 0.000 1.081 206 I CA 0.825 62.103 61.300 -0.037 0.000 1.353 206 I CB -0.254 37.542 38.000 -0.339 0.000 1.054 206 I HN 0.039 nan 8.210 nan 0.000 0.407 207 F N 1.077 121.142 119.950 0.191 0.000 2.171 207 F HA -0.222 4.304 4.527 -0.000 0.000 0.300 207 F C 2.315 178.166 175.800 0.086 0.000 1.090 207 F CA 1.428 59.497 58.000 0.114 0.000 1.293 207 F CB -1.389 37.636 39.000 0.042 0.000 1.013 207 F HN 0.152 nan 8.300 nan 0.000 0.486 208 N N 0.462 119.310 118.700 0.246 0.000 2.094 208 N HA -0.205 4.535 4.740 -0.000 0.000 0.191 208 N C 1.827 177.387 175.510 0.084 0.000 1.023 208 N CA 1.694 54.819 53.050 0.125 0.000 0.857 208 N CB -0.334 38.196 38.487 0.071 0.000 1.013 208 N HN 0.204 nan 8.380 nan 0.000 0.426 209 A N -1.286 121.583 122.820 0.081 0.000 1.929 209 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 209 A C 1.439 178.947 177.584 -0.127 0.000 1.176 209 A CA 0.923 52.925 52.037 -0.059 0.000 0.628 209 A CB -0.685 18.223 19.000 -0.153 0.000 0.816 209 A HN 0.496 nan 8.150 nan 0.000 0.444 210 Y N 0.884 121.283 120.300 0.165 0.000 2.466 210 Y HA 0.115 4.664 4.550 -0.001 0.000 0.272 210 Y C 0.931 176.886 175.900 0.093 0.000 1.169 210 Y CA 0.097 58.312 58.100 0.193 0.000 1.285 210 Y CB 0.062 38.759 38.460 0.395 0.000 1.078 210 Y HN 0.326 nan 8.280 nan 0.000 0.523 211 K N 1.499 121.987 120.400 0.148 0.000 2.382 211 K HA 0.194 4.514 4.320 -0.000 0.000 0.275 211 K C -2.733 173.892 176.600 0.042 0.000 1.009 211 K CA -1.679 54.642 56.287 0.057 0.000 0.970 211 K CB 0.117 32.638 32.500 0.035 0.000 0.934 211 K HN -0.092 nan 8.250 nan 0.000 0.479 212 P HA 0.145 nan 4.420 nan 0.000 0.273 212 P C -2.541 174.769 177.300 0.017 0.000 1.250 212 P CA -1.411 61.703 63.100 0.023 0.000 0.793 212 P CB -0.683 31.022 31.700 0.008 0.000 1.011 213 P HA 0.051 nan 4.420 nan 0.000 0.264 213 P C 1.036 178.340 177.300 0.007 0.000 1.183 213 P CA 1.265 64.374 63.100 0.016 0.000 0.763 213 P CB -0.200 31.512 31.700 0.020 0.000 0.807 214 G N 1.685 110.487 108.800 0.004 0.000 2.212 214 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.266 214 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.266 214 G C 0.687 175.582 174.900 -0.008 0.000 0.978 214 G CA -0.008 45.091 45.100 -0.002 0.000 0.632 214 G HN 0.913 nan 8.290 nan 0.000 0.537 215 G N -0.465 108.330 108.800 -0.009 0.000 2.664 215 G HA2 0.493 4.452 3.960 -0.000 0.000 0.242 215 G HA3 0.493 4.452 3.960 -0.000 0.000 0.242 215 G C -0.132 174.760 174.900 -0.013 0.000 1.225 215 G CA 0.862 45.952 45.100 -0.017 0.000 0.849 215 G HN 0.829 nan 8.290 nan 0.000 0.581 216 K N -0.519 119.869 120.400 -0.020 0.000 2.525 216 K HA 0.466 4.786 4.320 -0.000 0.000 0.254 216 K C -1.055 175.539 176.600 -0.009 0.000 0.934 216 K CA -0.596 55.684 56.287 -0.011 0.000 0.802 216 K CB 2.149 34.642 32.500 -0.013 0.000 1.295 216 K HN 0.305 nan 8.250 nan 0.000 0.433 217 V N 3.545 123.468 119.914 0.015 0.000 2.383 217 V HA 0.442 4.562 4.120 -0.000 0.000 0.275 217 V C -0.437 175.676 176.094 0.031 0.000 1.036 217 V CA -0.486 61.836 62.300 0.036 0.000 0.889 217 V CB 1.443 33.323 31.823 0.095 0.000 0.985 217 V HN 0.841 nan 8.190 nan 0.000 0.459 218 T N 6.695 121.270 114.554 0.034 0.000 2.770 218 T HA 0.547 4.897 4.350 -0.000 0.000 0.283 218 T C -0.457 174.285 174.700 0.071 0.000 0.988 218 T CA -0.225 61.900 62.100 0.042 0.000 0.957 218 T CB 1.218 70.113 68.868 0.045 0.000 0.930 218 T HN 0.519 nan 8.240 nan 0.000 0.443 219 L N 4.711 125.975 121.223 0.069 0.000 2.307 219 L HA 0.709 5.048 4.340 -0.000 0.000 0.284 219 L C -0.129 176.803 176.870 0.104 0.000 1.023 219 L CA -0.664 54.230 54.840 0.090 0.000 0.810 219 L CB 0.331 42.432 42.059 0.070 0.000 1.231 219 L HN 0.918 nan 8.230 nan 0.000 0.423 220 C N 3.073 122.462 119.300 0.148 0.000 2.435 220 C HA 0.708 5.167 4.460 -0.000 0.000 0.333 220 C C -0.729 174.396 174.990 0.225 0.000 1.202 220 C CA -0.971 58.154 59.018 0.178 0.000 1.830 220 C CB 0.818 28.727 27.740 0.283 0.000 2.326 220 C HN 0.810 nan 8.230 nan 0.000 0.507 221 Y N 2.880 123.215 120.300 0.058 0.000 2.492 221 Y HA 0.549 5.098 4.550 -0.000 0.000 0.346 221 Y C 1.160 177.089 175.900 0.047 0.000 0.997 221 Y CA -1.226 56.903 58.100 0.048 0.000 1.025 221 Y CB 1.456 39.933 38.460 0.027 0.000 1.263 221 Y HN 0.913 nan 8.280 nan 0.000 0.454 222 R N 2.006 122.170 120.500 -0.561 0.000 2.236 222 R HA 0.145 4.485 4.340 -0.000 0.000 0.208 222 R C -0.771 175.163 176.300 -0.610 0.000 1.036 222 R CA 0.940 56.768 56.100 -0.454 0.000 1.001 222 R CB -0.198 29.937 30.300 -0.274 0.000 0.896 222 R HN 0.662 nan 8.270 nan 0.000 0.464 223 N N -0.351 117.610 118.700 -1.233 0.000 3.061 223 N HA 0.110 4.850 4.740 -0.000 0.000 0.346 223 N C -0.204 175.206 175.510 -0.167 0.000 1.392 223 N CA -0.821 51.895 53.050 -0.556 0.000 0.762 223 N CB 0.445 38.744 38.487 -0.313 0.000 1.367 223 N HN -0.060 nan 8.380 nan 0.000 0.607 224 N N -0.190 118.544 118.700 0.057 0.000 2.376 224 N HA 0.007 4.747 4.740 -0.000 0.000 0.177 224 N C -0.777 174.839 175.510 0.177 0.000 1.024 224 N CA 0.712 53.819 53.050 0.095 0.000 0.893 224 N CB 0.305 38.824 38.487 0.052 0.000 0.980 224 N HN 0.227 nan 8.380 nan 0.000 0.439 225 L N 1.612 123.009 121.223 0.291 0.000 2.516 225 L HA 0.408 4.748 4.340 -0.000 0.000 0.267 225 L C -0.246 176.612 176.870 -0.019 0.000 0.957 225 L CA -0.771 54.150 54.840 0.136 0.000 0.860 225 L CB 1.395 43.490 42.059 0.061 0.000 1.265 225 L HN 0.016 nan 8.230 nan 0.000 0.403 226 I N 2.168 122.614 120.570 -0.206 0.000 3.246 226 I HA 0.251 4.421 4.170 -0.000 0.000 0.280 226 I C 0.376 176.244 176.117 -0.416 0.000 1.239 226 I CA -0.557 60.392 61.300 -0.586 0.000 1.336 226 I CB 0.223 38.007 38.000 -0.360 0.000 1.383 226 I HN 0.800 nan 8.210 nan 0.000 0.617 227 L N 0.275 121.247 121.223 -0.418 0.000 3.608 227 L HA -0.180 4.160 4.340 -0.000 0.000 0.422 227 L C 0.718 177.604 176.870 0.027 0.000 1.260 227 L CA 0.355 55.083 54.840 -0.186 0.000 0.889 227 L CB -1.353 40.506 42.059 -0.334 0.000 1.821 227 L HN 0.776 nan 8.230 nan 0.000 0.884 228 R N 0.818 121.295 120.500 -0.038 0.000 2.537 228 R HA 0.230 4.570 4.340 -0.000 0.000 0.281 228 R C 1.438 177.775 176.300 0.062 0.000 0.988 228 R CA 1.534 57.657 56.100 0.039 0.000 1.077 228 R CB 0.227 30.570 30.300 0.072 0.000 0.932 228 R HN 0.490 nan 8.270 nan 0.000 0.409 229 G N 2.971 111.771 108.800 0.001 0.000 2.213 229 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.226 229 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.226 229 G C -0.166 174.553 174.900 -0.301 0.000 0.992 229 G CA -0.184 44.834 45.100 -0.137 0.000 0.632 229 G HN 0.502 nan 8.290 nan 0.000 0.511 230 F N 1.610 121.488 119.950 -0.120 0.000 2.408 230 F HA 0.496 5.022 4.527 -0.001 0.000 0.325 230 F C 0.919 176.606 175.800 -0.189 0.000 1.082 230 F CA -0.461 57.446 58.000 -0.156 0.000 1.032 230 F CB 0.599 39.487 39.000 -0.187 0.000 1.259 230 F HN 0.029 nan 8.300 nan 0.000 0.503 231 D N 1.590 121.946 120.400 -0.073 0.000 2.533 231 D HA -0.112 4.528 4.640 -0.000 0.000 0.236 231 D C 0.824 177.086 176.300 -0.063 0.000 1.137 231 D CA 0.364 54.247 54.000 -0.195 0.000 0.867 231 D CB 0.849 41.449 40.800 -0.333 0.000 1.170 231 D HN 0.784 nan 8.370 nan 0.000 0.474 232 E N 2.014 122.189 120.200 -0.041 0.000 2.047 232 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 232 E C 1.536 178.129 176.600 -0.013 0.000 0.987 232 E CA 1.376 57.769 56.400 -0.011 0.000 0.799 232 E CB 0.180 29.889 29.700 0.014 0.000 0.752 232 E HN 0.604 nan 8.360 nan 0.000 0.449 233 T N 1.431 115.987 114.554 0.004 0.000 2.699 233 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 233 T C 1.884 176.562 174.700 -0.036 0.000 1.036 233 T CA 1.511 63.613 62.100 0.002 0.000 1.147 233 T CB -0.249 68.640 68.868 0.035 0.000 0.862 233 T HN 0.206 nan 8.240 nan 0.000 0.446 234 I N 0.713 121.251 120.570 -0.054 0.000 2.286 234 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 234 I C 2.768 178.811 176.117 -0.123 0.000 1.115 234 I CA 1.283 62.524 61.300 -0.098 0.000 1.392 234 I CB -0.334 37.608 38.000 -0.097 0.000 1.065 234 I HN 0.177 nan 8.210 nan 0.000 0.418 235 R N 0.779 121.219 120.500 -0.099 0.000 2.081 235 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 235 R C 2.160 178.398 176.300 -0.102 0.000 1.131 235 R CA 1.502 57.530 56.100 -0.120 0.000 0.960 235 R CB -0.357 29.895 30.300 -0.081 0.000 0.856 235 R HN 0.455 nan 8.270 nan 0.000 0.436 236 E N 0.329 120.488 120.200 -0.069 0.000 2.051 236 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 236 E C 1.976 178.536 176.600 -0.066 0.000 0.991 236 E CA 1.200 57.567 56.400 -0.055 0.000 0.799 236 E CB 0.003 29.682 29.700 -0.035 0.000 0.748 236 E HN 0.218 nan 8.360 nan 0.000 0.449 237 E N 0.869 121.025 120.200 -0.074 0.000 2.072 237 E HA -0.119 4.230 4.350 -0.000 0.000 0.190 237 E C 1.959 178.501 176.600 -0.097 0.000 0.982 237 E CA 0.510 56.863 56.400 -0.078 0.000 0.803 237 E CB -0.160 29.490 29.700 -0.083 0.000 0.755 237 E HN 0.062 nan 8.360 nan 0.000 0.453 238 V N 0.052 119.887 119.914 -0.130 0.000 2.626 238 V HA -0.223 3.897 4.120 -0.000 0.000 0.252 238 V C 1.883 177.905 176.094 -0.121 0.000 1.067 238 V CA 2.330 64.543 62.300 -0.145 0.000 1.081 238 V CB -0.554 31.145 31.823 -0.207 0.000 0.686 238 V HN 0.406 nan 8.190 nan 0.000 0.468 239 T N -0.363 114.125 114.554 -0.110 0.000 2.708 239 T HA -0.230 4.119 4.350 -0.000 0.000 0.266 239 T C 1.923 176.575 174.700 -0.081 0.000 1.037 239 T CA 1.966 64.012 62.100 -0.089 0.000 1.146 239 T CB -0.236 68.588 68.868 -0.073 0.000 0.865 239 T HN 0.453 nan 8.240 nan 0.000 0.435 240 K N 0.637 120.993 120.400 -0.072 0.000 2.057 240 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 240 K C 2.437 178.982 176.600 -0.091 0.000 1.049 240 K CA 1.374 57.620 56.287 -0.069 0.000 0.931 240 K CB -0.047 32.426 32.500 -0.045 0.000 0.714 240 K HN 0.427 nan 8.250 nan 0.000 0.440 241 Q N 0.112 119.871 119.800 -0.067 0.000 2.187 241 Q HA -0.045 4.295 4.340 -0.000 0.000 0.199 241 Q C 2.196 178.120 176.000 -0.126 0.000 0.957 241 Q CA 0.687 56.462 55.803 -0.047 0.000 0.857 241 Q CB 0.097 28.875 28.738 0.066 0.000 0.929 241 Q HN 0.283 nan 8.270 nan 0.000 0.453 242 L N 0.073 121.233 121.223 -0.105 0.000 2.017 242 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 242 L C 2.406 179.198 176.870 -0.129 0.000 1.073 242 L CA 1.327 56.105 54.840 -0.103 0.000 0.745 242 L CB -0.664 41.346 42.059 -0.083 0.000 0.894 242 L HN 0.204 nan 8.230 nan 0.000 0.432 243 T N -0.077 114.400 114.554 -0.128 0.000 2.720 243 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 243 T C 1.958 176.536 174.700 -0.203 0.000 1.037 243 T CA 1.381 63.402 62.100 -0.132 0.000 1.144 243 T CB -0.311 68.494 68.868 -0.105 0.000 0.864 243 T HN 0.458 nan 8.240 nan 0.000 0.444 244 A N 1.552 124.181 122.820 -0.318 0.000 2.019 244 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 244 A C 1.996 179.242 177.584 -0.564 0.000 1.164 244 A CA 1.465 53.181 52.037 -0.534 0.000 0.644 244 A CB -0.491 17.925 19.000 -0.973 0.000 0.805 244 A HN 0.432 nan 8.150 nan 0.000 0.449 245 N N -1.227 117.223 118.700 -0.417 0.000 2.251 245 N HA 0.263 5.003 4.740 -0.000 0.000 0.217 245 N C 0.795 176.226 175.510 -0.131 0.000 1.124 245 N CA 0.908 53.811 53.050 -0.244 0.000 0.843 245 N CB 0.160 38.564 38.487 -0.137 0.000 1.024 245 N HN 0.516 nan 8.380 nan 0.000 0.501 246 G N 0.068 108.789 108.800 -0.131 0.000 2.157 246 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.239 246 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.239 246 G C -0.038 174.832 174.900 -0.049 0.000 0.982 246 G CA -0.056 44.998 45.100 -0.078 0.000 0.650 246 G HN 0.298 nan 8.290 nan 0.000 0.527 247 I N 0.999 121.538 120.570 -0.051 0.000 2.396 247 I HA 0.420 4.590 4.170 -0.000 0.000 0.292 247 I C 0.543 176.641 176.117 -0.032 0.000 0.999 247 I CA -0.552 60.734 61.300 -0.024 0.000 1.310 247 I CB 1.488 39.478 38.000 -0.016 0.000 1.404 247 I HN 0.244 nan 8.210 nan 0.000 0.496 248 E N 6.790 126.980 120.200 -0.018 0.000 2.174 248 E HA 0.341 4.690 4.350 -0.000 0.000 0.282 248 E C -1.111 175.480 176.600 -0.014 0.000 0.992 248 E CA -0.597 55.788 56.400 -0.025 0.000 0.803 248 E CB 0.844 30.530 29.700 -0.024 0.000 1.090 248 E HN 0.332 nan 8.360 nan 0.000 0.396 249 I N 5.835 126.392 120.570 -0.021 0.000 2.306 249 I HA 0.206 4.376 4.170 -0.000 0.000 0.288 249 I C -0.109 176.003 176.117 -0.008 0.000 1.036 249 I CA -0.336 60.961 61.300 -0.005 0.000 1.221 249 I CB 0.667 38.660 38.000 -0.011 0.000 1.385 249 I HN 0.696 nan 8.210 nan 0.000 0.472 250 M N 6.413 126.012 119.600 -0.002 0.000 2.094 250 M HA 0.201 4.680 4.480 -0.000 0.000 0.348 250 M C 0.440 176.741 176.300 0.001 0.000 1.267 250 M CA -0.291 54.984 55.300 -0.041 0.000 1.125 250 M CB 0.943 33.481 32.600 -0.104 0.000 1.527 250 M HN 0.592 nan 8.290 nan 0.000 0.447 251 T N -0.685 113.869 114.554 0.000 0.000 2.902 251 T HA 0.348 4.697 4.350 -0.000 0.000 0.280 251 T C 0.726 175.405 174.700 -0.035 0.000 0.992 251 T CA -0.838 61.281 62.100 0.031 0.000 1.015 251 T CB 0.794 69.698 68.868 0.059 0.000 1.044 251 T HN 0.754 nan 8.240 nan 0.000 0.520 252 N N 0.882 119.540 118.700 -0.069 0.000 2.710 252 N HA -0.148 4.592 4.740 -0.000 0.000 0.249 252 N C -0.701 174.765 175.510 -0.074 0.000 1.059 252 N CA 0.928 53.920 53.050 -0.096 0.000 0.720 252 N CB -0.785 37.661 38.487 -0.069 0.000 0.983 252 N HN 0.745 nan 8.380 nan 0.000 0.544 253 E N 0.436 120.606 120.200 -0.051 0.000 2.317 253 E HA 0.513 4.863 4.350 -0.000 0.000 0.270 253 E C -0.615 176.076 176.600 0.151 0.000 0.885 253 E CA -0.644 55.771 56.400 0.025 0.000 0.760 253 E CB 2.221 31.840 29.700 -0.135 0.000 1.227 253 E HN 0.178 nan 8.360 nan 0.000 0.434 254 N N 1.569 120.430 118.700 0.268 0.000 2.455 254 N HA 0.333 5.072 4.740 -0.000 0.000 0.285 254 N C -3.023 172.556 175.510 0.115 0.000 1.080 254 N CA -1.691 51.462 53.050 0.172 0.000 0.932 254 N CB 1.968 40.486 38.487 0.051 0.000 1.610 254 N HN -0.006 nan 8.380 nan 0.000 0.493 255 P HA 0.116 nan 4.420 nan 0.000 0.265 255 P C -0.440 176.762 177.300 -0.164 0.000 1.193 255 P CA 0.123 62.993 63.100 -0.384 0.000 0.765 255 P CB 0.889 32.364 31.700 -0.376 0.000 0.823 256 A N 3.731 126.466 122.820 -0.141 0.000 2.085 256 A HA 0.146 4.465 4.320 -0.000 0.000 0.208 256 A C 0.733 178.276 177.584 -0.069 0.000 1.191 256 A CA 1.099 53.097 52.037 -0.066 0.000 0.799 256 A CB -0.065 18.921 19.000 -0.024 0.000 0.877 256 A HN 0.498 nan 8.150 nan 0.000 0.473 257 K N -0.869 119.468 120.400 -0.106 0.000 2.546 257 K HA 0.566 4.886 4.320 -0.000 0.000 0.264 257 K C -2.164 174.376 176.600 -0.101 0.000 0.937 257 K CA -0.463 55.783 56.287 -0.068 0.000 0.833 257 K CB 2.291 34.773 32.500 -0.029 0.000 1.378 257 K HN -0.045 nan 8.250 nan 0.000 0.432 258 V N 2.310 122.195 119.914 -0.048 0.000 2.656 258 V HA 0.557 4.677 4.120 -0.000 0.000 0.307 258 V C -0.738 175.360 176.094 0.007 0.000 1.051 258 V CA -0.652 61.625 62.300 -0.038 0.000 0.893 258 V CB 1.673 33.480 31.823 -0.026 0.000 0.999 258 V HN 0.924 nan 8.190 nan 0.000 0.426 259 S N 4.305 119.999 115.700 -0.010 0.000 2.599 259 S HA 0.719 5.189 4.470 -0.000 0.000 0.287 259 S C -0.940 173.567 174.600 -0.156 0.000 1.105 259 S CA -0.801 57.356 58.200 -0.072 0.000 0.899 259 S CB 1.911 65.100 63.200 -0.017 0.000 1.100 259 S HN 0.644 nan 8.310 nan 0.000 0.482 260 L N 2.360 123.396 121.223 -0.312 0.000 2.331 260 L HA 0.402 4.741 4.340 -0.000 0.000 0.278 260 L C -0.602 176.185 176.870 -0.139 0.000 1.106 260 L CA -0.391 54.280 54.840 -0.281 0.000 0.824 260 L CB 0.571 42.399 42.059 -0.385 0.000 1.142 260 L HN 0.752 nan 8.230 nan 0.000 0.443 261 N N 1.153 119.798 118.700 -0.092 0.000 2.489 261 N HA 0.176 4.915 4.740 -0.000 0.000 0.284 261 N C 1.068 176.543 175.510 -0.059 0.000 1.158 261 N CA -0.024 52.985 53.050 -0.069 0.000 0.965 261 N CB 1.659 40.120 38.487 -0.042 0.000 1.195 261 N HN 0.602 nan 8.380 nan 0.000 0.506 262 T N -2.474 112.049 114.554 -0.052 0.000 2.849 262 T HA -0.210 4.139 4.350 -0.000 0.000 0.270 262 T C 0.809 175.492 174.700 -0.028 0.000 1.066 262 T CA 1.443 63.520 62.100 -0.038 0.000 1.130 262 T CB -0.238 68.610 68.868 -0.034 0.000 0.864 262 T HN 0.610 nan 8.240 nan 0.000 0.481 263 D N 0.561 120.945 120.400 -0.027 0.000 2.340 263 D HA 0.282 4.922 4.640 -0.000 0.000 0.220 263 D C 1.652 177.941 176.300 -0.018 0.000 1.039 263 D CA 0.607 54.596 54.000 -0.019 0.000 0.866 263 D CB -0.578 40.212 40.800 -0.017 0.000 0.913 263 D HN 0.624 nan 8.370 nan 0.000 0.523 264 G N -0.200 108.586 108.800 -0.024 0.000 2.218 264 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 264 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 264 G C 0.483 175.368 174.900 -0.025 0.000 0.994 264 G CA 0.245 45.333 45.100 -0.019 0.000 0.637 264 G HN 0.787 nan 8.290 nan 0.000 0.505 265 S N 0.192 115.875 115.700 -0.028 0.000 2.661 265 S HA 0.747 5.217 4.470 -0.000 0.000 0.265 265 S C -0.075 174.508 174.600 -0.029 0.000 1.225 265 S CA -0.261 57.923 58.200 -0.028 0.000 0.986 265 S CB 1.566 64.753 63.200 -0.021 0.000 1.008 265 S HN 0.325 nan 8.310 nan 0.000 0.565 266 K N 1.130 121.517 120.400 -0.022 0.000 2.292 266 K HA 0.317 4.637 4.320 -0.000 0.000 0.257 266 K C -1.352 175.263 176.600 0.025 0.000 0.940 266 K CA -0.425 55.851 56.287 -0.018 0.000 0.811 266 K CB 1.258 33.739 32.500 -0.032 0.000 1.120 266 K HN 0.874 nan 8.250 nan 0.000 0.428 267 H N 1.368 120.394 119.070 -0.073 0.000 2.597 267 H HA 0.337 4.892 4.556 -0.000 0.000 0.303 267 H C -0.985 174.299 175.328 -0.073 0.000 1.057 267 H CA -0.469 55.545 56.048 -0.056 0.000 1.261 267 H CB 0.574 30.306 29.762 -0.050 0.000 1.397 267 H HN 0.191 nan 8.280 nan 0.000 0.461 268 V N 5.569 125.254 119.914 -0.381 0.000 2.427 268 V HA 0.308 4.428 4.120 -0.000 0.000 0.286 268 V C 0.138 175.957 176.094 -0.459 0.000 1.034 268 V CA -0.539 61.520 62.300 -0.401 0.000 0.893 268 V CB 1.636 33.189 31.823 -0.449 0.000 0.982 268 V HN 0.875 nan 8.190 nan 0.000 0.452 269 T N 5.429 119.773 114.554 -0.350 0.000 2.807 269 T HA 0.635 4.984 4.350 -0.000 0.000 0.279 269 T C -0.512 174.064 174.700 -0.207 0.000 0.993 269 T CA -0.130 61.865 62.100 -0.175 0.000 0.970 269 T CB 0.751 69.584 68.868 -0.058 0.000 0.950 269 T HN 0.274 nan 8.240 nan 0.000 0.441 270 F N 1.008 120.918 119.950 -0.067 0.000 2.378 270 F HA 0.322 4.848 4.527 -0.001 0.000 0.325 270 F C 1.952 177.731 175.800 -0.034 0.000 1.097 270 F CA -0.782 57.190 58.000 -0.048 0.000 1.079 270 F CB 0.816 39.787 39.000 -0.048 0.000 1.240 270 F HN 0.648 nan 8.300 nan 0.000 0.519 271 E N 0.272 120.567 120.200 0.158 0.000 2.171 271 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 271 E C 2.085 178.728 176.600 0.071 0.000 0.997 271 E CA 1.750 58.198 56.400 0.080 0.000 0.810 271 E CB -0.149 29.583 29.700 0.054 0.000 0.738 271 E HN 0.659 nan 8.360 nan 0.000 0.467 272 S N -0.877 114.874 115.700 0.085 0.000 2.474 272 S HA -0.022 4.448 4.470 -0.000 0.000 0.235 272 S C 1.761 176.384 174.600 0.039 0.000 0.997 272 S CA 0.790 59.013 58.200 0.037 0.000 0.949 272 S CB 0.103 63.301 63.200 -0.004 0.000 0.766 272 S HN 0.450 nan 8.310 nan 0.000 0.517 273 G N 0.752 109.597 108.800 0.074 0.000 2.194 273 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.236 273 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.236 273 G C 0.037 174.981 174.900 0.072 0.000 0.987 273 G CA 0.076 45.215 45.100 0.064 0.000 0.635 273 G HN 0.603 nan 8.290 nan 0.000 0.520 274 K N 1.366 121.804 120.400 0.064 0.000 2.380 274 K HA 0.479 4.799 4.320 -0.000 0.000 0.267 274 K C 0.794 177.505 176.600 0.185 0.000 0.990 274 K CA 0.902 57.210 56.287 0.036 0.000 0.946 274 K CB 0.504 32.915 32.500 -0.149 0.000 0.937 274 K HN 0.438 nan 8.250 nan 0.000 0.491 275 T N -0.838 113.786 114.554 0.117 0.000 2.930 275 T HA 0.694 5.044 4.350 -0.000 0.000 0.290 275 T C -1.101 173.658 174.700 0.100 0.000 1.052 275 T CA -1.036 61.109 62.100 0.075 0.000 1.017 275 T CB 1.294 70.129 68.868 -0.055 0.000 1.137 275 T HN 0.322 nan 8.240 nan 0.000 0.511 276 L N 1.037 122.281 121.223 0.035 0.000 2.565 276 L HA 0.528 4.868 4.340 -0.000 0.000 0.261 276 L C -1.927 174.929 176.870 -0.023 0.000 0.932 276 L CA -0.393 54.490 54.840 0.072 0.000 0.878 276 L CB 2.288 44.486 42.059 0.232 0.000 1.333 276 L HN 0.746 nan 8.230 nan 0.000 0.409 277 D N 3.735 124.154 120.400 0.032 0.000 2.225 277 D HA 0.668 5.308 4.640 -0.000 0.000 0.248 277 D C -0.464 175.842 176.300 0.010 0.000 1.096 277 D CA 0.264 54.292 54.000 0.047 0.000 0.863 277 D CB 2.013 42.867 40.800 0.091 0.000 1.156 277 D HN 0.452 nan 8.370 nan 0.000 0.450 278 V N -0.858 119.047 119.914 -0.014 0.000 3.159 278 V HA 0.388 4.508 4.120 -0.000 0.000 0.308 278 V C 0.348 176.406 176.094 -0.059 0.000 1.190 278 V CA -0.827 61.448 62.300 -0.042 0.000 1.037 278 V CB 2.351 34.140 31.823 -0.056 0.000 1.060 278 V HN 0.219 nan 8.190 nan 0.000 0.437 279 D N 0.438 120.785 120.400 -0.088 0.000 2.194 279 D HA 0.125 4.764 4.640 -0.000 0.000 0.204 279 D C 0.406 176.640 176.300 -0.110 0.000 0.964 279 D CA 1.512 55.455 54.000 -0.096 0.000 0.846 279 D CB 0.785 41.512 40.800 -0.121 0.000 0.962 279 D HN 0.378 nan 8.370 nan 0.000 0.490 280 V N 0.738 120.562 119.914 -0.150 0.000 2.808 280 V HA 0.250 4.369 4.120 -0.000 0.000 0.308 280 V C -0.625 175.378 176.094 -0.152 0.000 1.099 280 V CA -0.812 61.389 62.300 -0.164 0.000 0.920 280 V CB 3.169 34.835 31.823 -0.261 0.000 1.014 280 V HN -0.290 nan 8.190 nan 0.000 0.425 281 V N 5.408 125.257 119.914 -0.109 0.000 2.378 281 V HA 0.503 4.623 4.120 -0.000 0.000 0.288 281 V C -0.131 175.912 176.094 -0.086 0.000 1.016 281 V CA -0.323 61.922 62.300 -0.092 0.000 0.840 281 V CB 1.585 33.362 31.823 -0.078 0.000 0.994 281 V HN 0.869 nan 8.190 nan 0.000 0.431 282 M N 6.300 125.854 119.600 -0.076 0.000 2.114 282 M HA 0.522 5.002 4.480 -0.000 0.000 0.332 282 M C -0.909 175.365 176.300 -0.042 0.000 1.014 282 M CA -0.517 54.740 55.300 -0.072 0.000 0.956 282 M CB 1.185 33.750 32.600 -0.058 0.000 1.551 282 M HN 0.466 nan 8.290 nan 0.000 0.427 283 M N 3.995 123.563 119.600 -0.054 0.000 2.146 283 M HA 0.329 4.809 4.480 -0.000 0.000 0.352 283 M C -0.155 176.129 176.300 -0.026 0.000 1.343 283 M CA 0.062 55.345 55.300 -0.028 0.000 1.115 283 M CB 0.768 33.349 32.600 -0.032 0.000 1.657 283 M HN 0.784 nan 8.290 nan 0.000 0.471 284 A N 5.243 128.073 122.820 0.017 0.000 3.258 284 A HA 0.476 4.796 4.320 -0.000 0.000 0.318 284 A C 0.410 178.038 177.584 0.074 0.000 0.990 284 A CA -0.499 51.560 52.037 0.036 0.000 0.885 284 A CB -0.468 18.572 19.000 0.067 0.000 1.090 284 A HN 0.927 nan 8.150 nan 0.000 0.479 285 I N -2.444 118.163 120.570 0.062 0.000 3.889 285 I HA 0.645 4.815 4.170 -0.000 0.000 0.332 285 I C 0.492 176.662 176.117 0.088 0.000 1.493 285 I CA 0.241 61.592 61.300 0.086 0.000 1.158 285 I CB 0.296 38.339 38.000 0.072 0.000 1.117 285 I HN 0.579 nan 8.210 nan 0.000 0.411 286 G N 1.177 110.026 108.800 0.083 0.000 2.362 286 G HA2 0.103 4.062 3.960 -0.000 0.000 0.656 286 G HA3 0.103 4.062 3.960 -0.000 0.000 0.656 286 G C -1.352 173.583 174.900 0.058 0.000 1.376 286 G CA -1.184 43.965 45.100 0.082 0.000 0.971 286 G HN 0.305 nan 8.290 nan 0.000 0.636 287 R N -0.314 120.224 120.500 0.063 0.000 2.561 287 R HA 0.677 5.017 4.340 -0.000 0.000 0.297 287 R C 0.314 176.668 176.300 0.090 0.000 0.969 287 R CA -0.859 55.280 56.100 0.064 0.000 0.879 287 R CB 1.851 32.181 30.300 0.049 0.000 1.178 287 R HN 0.782 nan 8.270 nan 0.000 0.445 288 I N -0.702 119.943 120.570 0.124 0.000 2.648 288 I HA 0.631 4.801 4.170 -0.000 0.000 0.304 288 I C -2.518 173.687 176.117 0.147 0.000 1.009 288 I CA -3.302 58.072 61.300 0.124 0.000 1.114 288 I CB 1.986 40.059 38.000 0.121 0.000 1.293 288 I HN 0.275 nan 8.210 nan 0.000 0.449 289 P HA 0.119 nan 4.420 nan 0.000 0.264 289 P C -1.030 176.339 177.300 0.114 0.000 1.193 289 P CA -0.013 63.151 63.100 0.107 0.000 0.763 289 P CB 0.324 32.069 31.700 0.076 0.000 0.810 290 R N 2.138 122.709 120.500 0.120 0.000 2.429 290 R HA 0.142 4.481 4.340 -0.000 0.000 0.302 290 R C 1.048 177.379 176.300 0.051 0.000 1.268 290 R CA 0.204 56.355 56.100 0.085 0.000 1.090 290 R CB -0.315 30.035 30.300 0.084 0.000 1.102 290 R HN 0.573 nan 8.270 nan 0.000 0.522 291 T N -2.550 112.028 114.554 0.039 0.000 2.978 291 T HA 0.022 4.372 4.350 -0.000 0.000 0.248 291 T C 1.442 176.150 174.700 0.014 0.000 1.018 291 T CA -0.189 61.928 62.100 0.029 0.000 1.026 291 T CB 0.166 69.053 68.868 0.031 0.000 1.032 291 T HN 0.221 nan 8.240 nan 0.000 0.485 292 N N 2.271 120.973 118.700 0.003 0.000 2.223 292 N HA -0.085 4.655 4.740 -0.000 0.000 0.185 292 N C 0.813 176.309 175.510 -0.023 0.000 1.016 292 N CA 1.328 54.371 53.050 -0.013 0.000 0.863 292 N CB -0.218 38.255 38.487 -0.023 0.000 0.983 292 N HN 0.499 nan 8.380 nan 0.000 0.429 293 D N 0.125 120.516 120.400 -0.015 0.000 2.340 293 D HA 0.053 4.693 4.640 -0.000 0.000 0.220 293 D C 1.566 177.876 176.300 0.018 0.000 1.039 293 D CA 0.037 54.032 54.000 -0.009 0.000 0.866 293 D CB 0.278 41.105 40.800 0.046 0.000 0.913 293 D HN 0.284 nan 8.370 nan 0.000 0.523 294 L N 0.253 121.485 121.223 0.014 0.000 2.558 294 L HA -0.013 4.327 4.340 -0.000 0.000 0.225 294 L C 0.146 177.016 176.870 0.001 0.000 1.128 294 L CA 0.121 54.969 54.840 0.014 0.000 0.868 294 L CB -0.022 42.047 42.059 0.016 0.000 1.006 294 L HN -0.167 nan 8.230 nan 0.000 0.454 295 Q N -0.157 119.638 119.800 -0.007 0.000 2.451 295 Q HA -0.223 4.117 4.340 -0.000 0.000 0.305 295 Q C 0.956 176.949 176.000 -0.011 0.000 1.345 295 Q CA 0.666 56.461 55.803 -0.014 0.000 0.854 295 Q CB -2.186 26.541 28.738 -0.018 0.000 1.162 295 Q HN 0.491 nan 8.270 nan 0.000 0.440 296 L N -1.775 119.444 121.223 -0.007 0.000 2.275 296 L HA -0.095 4.245 4.340 -0.000 0.000 0.215 296 L C 2.123 178.987 176.870 -0.010 0.000 1.119 296 L CA 1.374 56.210 54.840 -0.007 0.000 0.790 296 L CB -0.198 41.860 42.059 -0.001 0.000 0.919 296 L HN 0.518 nan 8.230 nan 0.000 0.443 297 G N -0.533 108.260 108.800 -0.010 0.000 2.484 297 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.218 297 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.218 297 G C 1.313 176.205 174.900 -0.014 0.000 1.130 297 G CA 0.198 45.291 45.100 -0.011 0.000 0.784 297 G HN 0.302 nan 8.290 nan 0.000 0.543 298 N N 0.468 119.159 118.700 -0.016 0.000 2.094 298 N HA -0.141 4.599 4.740 -0.000 0.000 0.191 298 N C 2.189 177.688 175.510 -0.018 0.000 1.023 298 N CA 1.887 54.927 53.050 -0.017 0.000 0.857 298 N CB -0.196 38.280 38.487 -0.019 0.000 1.013 298 N HN 0.431 nan 8.380 nan 0.000 0.426 299 V N -5.120 114.782 119.914 -0.019 0.000 3.477 299 V HA 0.559 4.678 4.120 -0.000 0.000 0.297 299 V C 1.071 177.152 176.094 -0.022 0.000 1.433 299 V CA 0.311 62.597 62.300 -0.023 0.000 1.052 299 V CB 0.135 31.941 31.823 -0.029 0.000 0.895 299 V HN 0.229 nan 8.190 nan 0.000 0.438 300 G N 0.832 109.622 108.800 -0.017 0.000 2.153 300 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.252 300 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.252 300 G C 0.149 175.040 174.900 -0.014 0.000 0.994 300 G CA 0.188 45.280 45.100 -0.014 0.000 0.698 300 G HN 0.923 nan 8.290 nan 0.000 0.521 301 V N 1.599 121.504 119.914 -0.015 0.000 2.475 301 V HA 0.108 4.227 4.120 -0.000 0.000 0.292 301 V C 1.282 177.374 176.094 -0.003 0.000 1.003 301 V CA 0.315 62.608 62.300 -0.012 0.000 1.120 301 V CB 1.047 32.862 31.823 -0.013 0.000 0.937 301 V HN 0.359 nan 8.190 nan 0.000 0.476 302 K N 5.186 125.586 120.400 0.000 0.000 2.270 302 K HA 0.424 4.744 4.320 -0.000 0.000 0.276 302 K C -0.539 176.068 176.600 0.011 0.000 1.023 302 K CA -0.265 56.025 56.287 0.005 0.000 0.955 302 K CB 0.814 33.317 32.500 0.006 0.000 0.975 302 K HN 0.528 nan 8.250 nan 0.000 0.471 303 L N 1.980 123.210 121.223 0.012 0.000 2.334 303 L HA 0.323 4.663 4.340 -0.000 0.000 0.272 303 L C 0.866 177.745 176.870 0.015 0.000 1.020 303 L CA -0.994 53.856 54.840 0.016 0.000 0.812 303 L CB 1.718 43.787 42.059 0.017 0.000 1.264 303 L HN 0.747 nan 8.230 nan 0.000 0.439 304 T N -2.339 112.226 114.554 0.017 0.000 2.860 304 T HA 0.170 4.519 4.350 -0.000 0.000 0.299 304 T C -1.500 173.209 174.700 0.016 0.000 1.045 304 T CA -1.301 60.808 62.100 0.015 0.000 1.071 304 T CB 0.705 69.581 68.868 0.013 0.000 0.985 304 T HN 0.452 nan 8.240 nan 0.000 0.537 305 P HA -0.186 nan 4.420 nan 0.000 0.217 305 P C 1.335 178.647 177.300 0.020 0.000 1.162 305 P CA 1.516 64.625 63.100 0.015 0.000 0.901 305 P CB 0.066 31.774 31.700 0.014 0.000 0.793 306 K N -1.685 118.728 120.400 0.021 0.000 2.147 306 K HA -0.021 4.298 4.320 -0.000 0.000 0.205 306 K C 1.603 178.222 176.600 0.031 0.000 1.049 306 K CA 1.494 57.797 56.287 0.026 0.000 0.936 306 K CB -0.367 32.148 32.500 0.025 0.000 0.722 306 K HN 0.362 nan 8.250 nan 0.000 0.446 307 G N -0.449 108.368 108.800 0.029 0.000 2.318 307 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.172 307 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.172 307 G C 0.268 175.189 174.900 0.036 0.000 1.002 307 G CA -0.357 44.764 45.100 0.034 0.000 0.697 307 G HN 0.478 nan 8.290 nan 0.000 0.483 308 G N -0.056 108.764 108.800 0.033 0.000 2.539 308 G HA2 0.539 4.498 3.960 -0.000 0.000 0.258 308 G HA3 0.539 4.498 3.960 -0.000 0.000 0.258 308 G C 0.406 175.325 174.900 0.031 0.000 1.202 308 G CA 0.129 45.250 45.100 0.035 0.000 0.851 308 G HN 0.850 nan 8.290 nan 0.000 0.556 309 V N 1.656 121.591 119.914 0.036 0.000 2.450 309 V HA 0.001 4.120 4.120 -0.000 0.000 0.281 309 V C 0.952 177.066 176.094 0.033 0.000 1.019 309 V CA 0.218 62.538 62.300 0.034 0.000 1.062 309 V CB 0.710 32.558 31.823 0.042 0.000 0.979 309 V HN 0.809 nan 8.190 nan 0.000 0.477 310 Q N 3.866 123.682 119.800 0.027 0.000 2.337 310 Q HA 0.405 4.745 4.340 -0.000 0.000 0.270 310 Q C -0.503 175.519 176.000 0.037 0.000 1.002 310 Q CA -0.134 55.684 55.803 0.025 0.000 0.888 310 Q CB 1.228 29.979 28.738 0.021 0.000 1.222 310 Q HN 0.790 nan 8.270 nan 0.000 0.400 311 V N 0.373 120.310 119.914 0.039 0.000 3.078 311 V HA 0.535 4.655 4.120 -0.000 0.000 0.311 311 V C -0.888 175.241 176.094 0.058 0.000 1.138 311 V CA -1.114 61.224 62.300 0.062 0.000 1.007 311 V CB 1.904 33.776 31.823 0.080 0.000 1.045 311 V HN 0.931 nan 8.190 nan 0.000 0.432 312 D N 0.305 120.759 120.400 0.090 0.000 2.451 312 D HA 0.255 4.895 4.640 -0.000 0.000 0.259 312 D C 0.743 177.086 176.300 0.071 0.000 1.201 312 D CA -0.297 53.757 54.000 0.090 0.000 1.028 312 D CB 0.555 41.439 40.800 0.140 0.000 1.095 312 D HN 0.696 nan 8.370 nan 0.000 0.539 313 E N -1.212 118.997 120.200 0.015 0.000 2.331 313 E HA -0.131 4.218 4.350 -0.000 0.000 0.199 313 E C 0.634 177.065 176.600 -0.281 0.000 1.008 313 E CA 0.790 57.111 56.400 -0.131 0.000 0.843 313 E CB -0.309 29.244 29.700 -0.244 0.000 0.761 313 E HN 0.420 nan 8.360 nan 0.000 0.507 314 F N -0.326 119.664 119.950 0.067 0.000 2.641 314 F HA 0.166 4.693 4.527 -0.001 0.000 0.302 314 F C 0.686 176.525 175.800 0.066 0.000 1.098 314 F CA -0.081 57.949 58.000 0.050 0.000 1.318 314 F CB 0.599 39.615 39.000 0.026 0.000 1.035 314 F HN -0.254 nan 8.300 nan 0.000 0.551 315 S N -0.067 115.755 115.700 0.203 0.000 3.450 315 S HA -0.207 4.263 4.470 -0.000 0.000 0.288 315 S C 0.333 175.095 174.600 0.270 0.000 1.256 315 S CA 0.184 58.501 58.200 0.196 0.000 0.910 315 S CB -1.463 61.839 63.200 0.169 0.000 1.090 315 S HN 0.436 nan 8.310 nan 0.000 0.630 316 R N 1.950 122.613 120.500 0.271 0.000 2.346 316 R HA 0.469 4.808 4.340 -0.000 0.000 0.311 316 R C 1.062 177.451 176.300 0.147 0.000 0.983 316 R CA 0.090 56.367 56.100 0.296 0.000 0.880 316 R CB 0.995 31.463 30.300 0.280 0.000 1.100 316 R HN 0.486 nan 8.270 nan 0.000 0.453 317 T N -0.840 113.756 114.554 0.070 0.000 2.689 317 T HA -0.038 4.312 4.350 -0.000 0.000 0.308 317 T C 1.346 176.053 174.700 0.011 0.000 1.021 317 T CA -0.470 61.643 62.100 0.022 0.000 0.973 317 T CB 0.452 69.310 68.868 -0.017 0.000 1.113 317 T HN 0.703 nan 8.240 nan 0.000 0.522 318 N N -0.443 118.258 118.700 0.002 0.000 2.494 318 N HA -0.044 4.696 4.740 -0.000 0.000 0.182 318 N C 0.123 175.621 175.510 -0.019 0.000 1.076 318 N CA 0.154 53.204 53.050 -0.000 0.000 0.908 318 N CB -0.429 38.059 38.487 0.002 0.000 0.967 318 N HN 0.397 nan 8.380 nan 0.000 0.449 319 V N 2.988 122.877 119.914 -0.042 0.000 2.368 319 V HA 0.284 4.404 4.120 -0.000 0.000 0.266 319 V C -2.134 173.895 176.094 -0.108 0.000 1.045 319 V CA -1.591 60.669 62.300 -0.067 0.000 0.899 319 V CB 0.965 32.743 31.823 -0.074 0.000 1.006 319 V HN 0.029 nan 8.190 nan 0.000 0.470 320 P HA 0.081 nan 4.420 nan 0.000 0.267 320 P C 0.750 177.940 177.300 -0.183 0.000 1.200 320 P CA 0.389 63.430 63.100 -0.098 0.000 0.772 320 P CB 0.103 31.773 31.700 -0.051 0.000 0.855 321 N N 0.515 119.065 118.700 -0.250 0.000 2.936 321 N HA -0.181 4.558 4.740 -0.000 0.000 0.236 321 N C -0.915 174.159 175.510 -0.727 0.000 0.930 321 N CA 0.367 53.206 53.050 -0.352 0.000 0.966 321 N CB -1.727 36.615 38.487 -0.242 0.000 1.090 321 N HN 0.254 nan 8.380 nan 0.000 0.592 322 I N 1.472 121.571 120.570 -0.784 0.000 2.362 322 I HA 0.404 4.574 4.170 -0.000 0.000 0.289 322 I C -0.629 175.090 176.117 -0.663 0.000 0.994 322 I CA -0.853 60.094 61.300 -0.588 0.000 1.158 322 I CB 0.643 38.501 38.000 -0.236 0.000 1.315 322 I HN 0.050 nan 8.210 nan 0.000 0.451 323 Y N 4.258 124.605 120.300 0.078 0.000 2.598 323 Y HA 0.842 5.392 4.550 -0.000 0.000 0.340 323 Y C 0.078 176.022 175.900 0.074 0.000 1.038 323 Y CA -1.220 56.926 58.100 0.077 0.000 1.100 323 Y CB 1.719 40.229 38.460 0.083 0.000 1.281 323 Y HN 0.567 nan 8.280 nan 0.000 0.488 324 A N 2.079 125.035 122.820 0.226 0.000 2.455 324 A HA 0.900 5.219 4.320 -0.000 0.000 0.300 324 A C -1.173 176.499 177.584 0.146 0.000 1.040 324 A CA -0.654 51.474 52.037 0.152 0.000 0.697 324 A CB 1.055 20.116 19.000 0.102 0.000 1.265 324 A HN 0.859 nan 8.150 nan 0.000 0.407 325 I N -1.352 119.294 120.570 0.127 0.000 3.102 325 I HA 0.935 5.105 4.170 -0.000 0.000 0.310 325 I C 0.403 176.580 176.117 0.100 0.000 1.246 325 I CA -0.237 61.133 61.300 0.117 0.000 0.979 325 I CB 1.922 39.993 38.000 0.118 0.000 1.267 325 I HN 2.066 nan 8.210 nan 0.000 0.451 326 G N 2.515 111.373 108.800 0.096 0.000 2.584 326 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.229 326 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.229 326 G C -0.084 174.861 174.900 0.074 0.000 1.320 326 G CA 0.508 45.658 45.100 0.082 0.000 0.891 326 G HN 0.842 nan 8.290 nan 0.000 0.573 327 D N -0.222 120.220 120.400 0.069 0.000 2.218 327 D HA -0.049 4.590 4.640 -0.000 0.000 0.204 327 D C 2.335 178.677 176.300 0.069 0.000 0.976 327 D CA 0.984 55.023 54.000 0.065 0.000 0.853 327 D CB -0.102 40.740 40.800 0.070 0.000 0.939 327 D HN 0.479 nan 8.370 nan 0.000 0.481 328 I N 1.113 121.728 120.570 0.075 0.000 2.502 328 I HA -0.263 3.907 4.170 -0.000 0.000 0.258 328 I C 1.671 177.824 176.117 0.060 0.000 1.172 328 I CA 1.458 62.801 61.300 0.071 0.000 1.430 328 I CB 0.022 38.064 38.000 0.071 0.000 1.086 328 I HN 0.075 nan 8.210 nan 0.000 0.440 329 T N -3.726 110.862 114.554 0.056 0.000 3.081 329 T HA 0.017 4.366 4.350 -0.000 0.000 0.250 329 T C 0.970 175.684 174.700 0.022 0.000 1.100 329 T CA 0.377 62.502 62.100 0.040 0.000 1.038 329 T CB -0.059 68.835 68.868 0.044 0.000 0.962 329 T HN 0.376 nan 8.240 nan 0.000 0.516 330 D N 0.686 121.104 120.400 0.030 0.000 2.837 330 D HA -0.157 4.483 4.640 -0.000 0.000 0.230 330 D C 0.873 177.171 176.300 -0.002 0.000 1.152 330 D CA 0.399 54.412 54.000 0.023 0.000 0.736 330 D CB -0.578 40.238 40.800 0.027 0.000 1.084 330 D HN 0.400 nan 8.370 nan 0.000 0.429 331 R N -0.551 119.937 120.500 -0.020 0.000 1.511 331 R HA 0.364 4.704 4.340 -0.000 0.000 0.111 331 R C 0.741 177.036 176.300 -0.008 0.000 1.705 331 R CA -0.161 55.902 56.100 -0.063 0.000 1.912 331 R CB -0.553 29.625 30.300 -0.202 0.000 1.115 331 R HN 0.164 nan 8.270 nan 0.000 0.582 332 L N 3.216 124.457 121.223 0.030 0.000 2.278 332 L HA 0.330 4.670 4.340 -0.000 0.000 0.287 332 L C 0.221 177.118 176.870 0.045 0.000 1.072 332 L CA -0.042 54.834 54.840 0.059 0.000 0.819 332 L CB 0.745 42.872 42.059 0.114 0.000 1.176 332 L HN 0.241 nan 8.230 nan 0.000 0.435 333 M N 6.635 126.239 119.600 0.007 0.000 2.974 333 M HA 0.386 4.865 4.480 -0.000 0.000 0.301 333 M C -0.912 175.356 176.300 -0.054 0.000 1.409 333 M CA 0.313 55.605 55.300 -0.015 0.000 1.515 333 M CB -0.175 32.412 32.600 -0.023 0.000 1.163 333 M HN 0.466 nan 8.290 nan 0.000 0.520 334 L N 0.319 121.537 121.223 -0.008 0.000 2.455 334 L HA 0.349 4.688 4.340 -0.000 0.000 0.264 334 L C 1.095 177.978 176.870 0.022 0.000 0.968 334 L CA -0.506 54.331 54.840 -0.006 0.000 0.827 334 L CB 2.355 44.426 42.059 0.020 0.000 1.317 334 L HN 0.350 nan 8.230 nan 0.000 0.407 335 T N 1.501 116.068 114.554 0.022 0.000 2.624 335 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 335 T C -1.114 173.606 174.700 0.033 0.000 1.041 335 T CA 1.970 64.086 62.100 0.027 0.000 1.159 335 T CB -0.503 68.378 68.868 0.021 0.000 0.863 335 T HN 0.468 nan 8.240 nan 0.000 0.434 336 P HA 0.084 nan 4.420 nan 0.000 0.226 336 P C 1.424 178.741 177.300 0.029 0.000 1.153 336 P CA 0.368 63.488 63.100 0.033 0.000 0.777 336 P CB -0.094 31.630 31.700 0.039 0.000 0.794 337 V N 0.312 120.248 119.914 0.036 0.000 2.323 337 V HA -0.180 3.940 4.120 -0.000 0.000 0.244 337 V C 2.493 178.615 176.094 0.048 0.000 1.041 337 V CA 2.047 64.369 62.300 0.037 0.000 1.025 337 V CB -1.641 30.224 31.823 0.070 0.000 0.656 337 V HN 0.082 nan 8.190 nan 0.000 0.451 338 A N 0.230 123.083 122.820 0.056 0.000 1.917 338 A HA -0.244 4.075 4.320 -0.000 0.000 0.219 338 A C 2.178 179.796 177.584 0.056 0.000 1.182 338 A CA 2.259 54.333 52.037 0.062 0.000 0.633 338 A CB -0.637 18.397 19.000 0.056 0.000 0.819 338 A HN 0.513 nan 8.150 nan 0.000 0.448 339 I N -0.272 120.324 120.570 0.045 0.000 2.127 339 I HA -0.304 3.865 4.170 -0.000 0.000 0.241 339 I C 2.592 178.736 176.117 0.044 0.000 1.075 339 I CA 1.712 63.038 61.300 0.043 0.000 1.334 339 I CB -0.519 37.499 38.000 0.030 0.000 1.040 339 I HN 0.497 nan 8.210 nan 0.000 0.405 340 N N 0.941 119.657 118.700 0.027 0.000 2.069 340 N HA -0.224 4.516 4.740 -0.000 0.000 0.191 340 N C 1.758 177.279 175.510 0.018 0.000 1.031 340 N CA 1.652 54.710 53.050 0.013 0.000 0.852 340 N CB 0.011 38.486 38.487 -0.021 0.000 1.018 340 N HN 0.433 nan 8.380 nan 0.000 0.423 341 E N -0.333 119.882 120.200 0.026 0.000 2.085 341 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 341 E C 1.998 178.640 176.600 0.070 0.000 0.994 341 E CA 1.076 57.507 56.400 0.052 0.000 0.801 341 E CB -0.332 29.422 29.700 0.089 0.000 0.743 341 E HN 0.460 nan 8.360 nan 0.000 0.453 342 G N 1.230 110.076 108.800 0.077 0.000 2.418 342 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.217 342 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.217 342 G C 1.690 176.650 174.900 0.099 0.000 1.158 342 G CA 0.922 46.078 45.100 0.094 0.000 0.771 342 G HN 0.355 nan 8.290 nan 0.000 0.545 343 A N 1.187 124.062 122.820 0.092 0.000 1.873 343 A HA 0.345 4.664 4.320 -0.000 0.000 0.215 343 A C 2.840 180.486 177.584 0.102 0.000 1.186 343 A CA 2.168 54.268 52.037 0.106 0.000 0.616 343 A CB -0.903 18.149 19.000 0.087 0.000 0.823 343 A HN 0.806 nan 8.150 nan 0.000 0.442 344 A N -0.414 122.450 122.820 0.075 0.000 1.940 344 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 344 A C 2.166 179.794 177.584 0.073 0.000 1.176 344 A CA 1.821 53.903 52.037 0.075 0.000 0.631 344 A CB -0.666 18.365 19.000 0.052 0.000 0.814 344 A HN 0.718 nan 8.150 nan 0.000 0.446 345 L N -0.234 121.018 121.223 0.049 0.000 1.976 345 L HA -0.119 4.220 4.340 -0.000 0.000 0.209 345 L C 2.414 179.230 176.870 -0.091 0.000 1.071 345 L CA 2.107 56.928 54.840 -0.032 0.000 0.746 345 L CB -0.582 41.455 42.059 -0.037 0.000 0.890 345 L HN 0.146 nan 8.230 nan 0.000 0.432 346 V N 0.190 120.127 119.914 0.037 0.000 2.255 346 V HA -0.335 3.785 4.120 -0.000 0.000 0.247 346 V C 2.340 178.485 176.094 0.085 0.000 1.051 346 V CA 2.095 64.488 62.300 0.156 0.000 1.018 346 V CB -0.868 31.141 31.823 0.310 0.000 0.641 346 V HN 0.505 nan 8.190 nan 0.000 0.445 347 D N -0.269 120.218 120.400 0.145 0.000 2.133 347 D HA -0.174 4.466 4.640 -0.000 0.000 0.195 347 D C 2.272 178.530 176.300 -0.071 0.000 0.997 347 D CA 1.997 56.066 54.000 0.114 0.000 0.840 347 D CB -0.478 40.414 40.800 0.154 0.000 0.947 347 D HN 0.401 nan 8.370 nan 0.000 0.452 348 T N -0.071 114.428 114.554 -0.091 0.000 2.708 348 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 348 T C 2.118 176.633 174.700 -0.309 0.000 1.037 348 T CA 0.885 62.886 62.100 -0.164 0.000 1.146 348 T CB -0.145 68.649 68.868 -0.123 0.000 0.865 348 T HN -0.027 nan 8.240 nan 0.000 0.435 349 V N -0.199 119.436 119.914 -0.465 0.000 2.426 349 V HA 0.118 4.238 4.120 -0.000 0.000 0.242 349 V C 1.421 177.012 176.094 -0.838 0.000 1.036 349 V CA 1.168 63.016 62.300 -0.753 0.000 1.044 349 V CB -0.304 30.818 31.823 -1.168 0.000 0.688 349 V HN 0.397 nan 8.190 nan 0.000 0.462 350 F N 0.418 120.090 119.950 -0.463 0.000 2.641 350 F HA 0.488 5.014 4.527 -0.001 0.000 0.302 350 F C 1.526 176.790 175.800 -0.892 0.000 1.098 350 F CA 0.538 58.194 58.000 -0.572 0.000 1.318 350 F CB 0.297 38.976 39.000 -0.534 0.000 1.035 350 F HN 0.170 nan 8.300 nan 0.000 0.551 351 G N -0.242 108.205 108.800 -0.589 0.000 4.399 351 G HA2 0.016 3.976 3.960 -0.000 0.000 0.268 351 G HA3 0.016 3.976 3.960 -0.000 0.000 0.268 351 G C 0.186 174.982 174.900 -0.174 0.000 1.038 351 G CA -0.015 44.764 45.100 -0.536 0.000 0.811 351 G HN 0.163 nan 8.290 nan 0.000 0.408 352 N N 0.728 119.323 118.700 -0.176 0.000 2.696 352 N HA -0.256 4.484 4.740 -0.000 0.000 0.249 352 N C 1.142 176.611 175.510 -0.068 0.000 1.090 352 N CA 1.468 54.452 53.050 -0.110 0.000 0.716 352 N CB -1.282 37.163 38.487 -0.069 0.000 1.020 352 N HN 0.356 nan 8.380 nan 0.000 0.548 353 K N -0.469 119.896 120.400 -0.059 0.000 1.965 353 K HA 0.066 4.385 4.320 -0.000 0.000 0.218 353 K C -0.719 175.876 176.600 -0.008 0.000 1.048 353 K CA 1.618 57.902 56.287 -0.004 0.000 0.960 353 K CB -1.565 30.957 32.500 0.037 0.000 0.732 353 K HN 0.506 nan 8.250 nan 0.000 0.444 354 P HA 0.233 nan 4.420 nan 0.000 0.293 354 P C -0.526 176.874 177.300 0.167 0.000 1.298 354 P CA -0.291 62.798 63.100 -0.018 0.000 0.757 354 P CB 0.619 32.159 31.700 -0.266 0.000 1.262 355 R N -0.708 119.993 120.500 0.336 0.000 2.563 355 R HA 0.264 4.603 4.340 -0.000 0.000 0.262 355 R C -0.991 175.438 176.300 0.215 0.000 1.128 355 R CA -0.736 55.519 56.100 0.259 0.000 0.969 355 R CB 1.857 32.234 30.300 0.129 0.000 1.251 355 R HN 0.536 nan 8.270 nan 0.000 0.442 356 K N 1.050 121.429 120.400 -0.035 0.000 2.203 356 K HA 0.467 4.786 4.320 -0.000 0.000 0.251 356 K C -0.586 175.921 176.600 -0.156 0.000 0.944 356 K CA -0.801 55.331 56.287 -0.258 0.000 0.829 356 K CB 2.020 34.139 32.500 -0.636 0.000 1.125 356 K HN 0.185 nan 8.250 nan 0.000 0.430 357 T N 1.884 116.337 114.554 -0.168 0.000 2.916 357 T HA -0.034 4.315 4.350 -0.000 0.000 0.303 357 T C -0.468 174.024 174.700 -0.347 0.000 1.025 357 T CA 0.155 62.097 62.100 -0.263 0.000 1.142 357 T CB 0.425 69.077 68.868 -0.360 0.000 0.947 357 T HN 0.573 nan 8.240 nan 0.000 0.544 358 D N 1.244 121.485 120.400 -0.266 0.000 2.347 358 D HA 0.131 4.770 4.640 -0.000 0.000 0.235 358 D C 0.446 176.605 176.300 -0.235 0.000 1.149 358 D CA -0.371 53.522 54.000 -0.178 0.000 0.850 358 D CB 0.505 41.254 40.800 -0.085 0.000 1.061 358 D HN 0.552 nan 8.370 nan 0.000 0.487 359 H N 1.031 120.093 119.070 -0.014 0.000 2.539 359 H HA 0.142 4.697 4.556 -0.000 0.000 0.267 359 H C 0.625 175.957 175.328 0.005 0.000 0.982 359 H CA 0.399 56.446 56.048 -0.002 0.000 1.146 359 H CB 0.280 30.038 29.762 -0.006 0.000 1.382 359 H HN 0.347 nan 8.280 nan 0.000 0.577 360 T N -1.594 113.006 114.554 0.077 0.000 2.934 360 T HA 0.314 4.664 4.350 -0.000 0.000 0.283 360 T C 0.519 175.242 174.700 0.038 0.000 1.005 360 T CA -1.016 61.120 62.100 0.060 0.000 1.041 360 T CB 1.448 70.349 68.868 0.055 0.000 1.042 360 T HN 0.381 nan 8.240 nan 0.000 0.505 361 R N -0.520 120.004 120.500 0.038 0.000 3.525 361 R HA -0.098 4.242 4.340 -0.000 0.000 0.276 361 R C -0.485 175.829 176.300 0.024 0.000 1.116 361 R CA 0.363 56.479 56.100 0.027 0.000 0.745 361 R CB -2.513 27.801 30.300 0.023 0.000 1.185 361 R HN 0.554 nan 8.270 nan 0.000 0.454 362 V N 1.022 120.955 119.914 0.033 0.000 2.461 362 V HA 0.458 4.578 4.120 -0.000 0.000 0.275 362 V C 1.109 177.231 176.094 0.046 0.000 1.047 362 V CA 0.046 62.368 62.300 0.036 0.000 0.955 362 V CB 1.443 33.293 31.823 0.046 0.000 0.988 362 V HN 0.391 nan 8.190 nan 0.000 0.471 363 A N 4.896 127.744 122.820 0.046 0.000 2.388 363 A HA 0.756 5.076 4.320 -0.000 0.000 0.257 363 A C 0.398 178.031 177.584 0.082 0.000 1.095 363 A CA 0.253 52.323 52.037 0.054 0.000 0.791 363 A CB 0.566 19.595 19.000 0.048 0.000 1.029 363 A HN 1.215 nan 8.150 nan 0.000 0.489 364 S N 0.131 115.892 115.700 0.102 0.000 2.656 364 S HA 0.865 5.335 4.470 -0.000 0.000 0.273 364 S C -0.729 173.947 174.600 0.126 0.000 1.168 364 S CA -0.123 58.167 58.200 0.150 0.000 0.817 364 S CB 1.330 64.660 63.200 0.217 0.000 1.146 364 S HN 2.314 nan 8.310 nan 0.000 0.475 365 A N 0.561 123.451 122.820 0.116 0.000 2.449 365 A HA 0.763 5.083 4.320 -0.000 0.000 0.302 365 A C -1.170 176.369 177.584 -0.075 0.000 1.048 365 A CA -0.757 51.187 52.037 -0.155 0.000 0.708 365 A CB 1.723 20.363 19.000 -0.600 0.000 1.274 365 A HN 1.274 nan 8.150 nan 0.000 0.410 366 V N 1.852 121.616 119.914 -0.250 0.000 2.350 366 V HA 0.283 4.402 4.120 -0.000 0.000 0.276 366 V C -0.548 175.332 176.094 -0.356 0.000 1.028 366 V CA -0.034 62.133 62.300 -0.222 0.000 0.860 366 V CB 0.385 31.932 31.823 -0.461 0.000 0.990 366 V HN 0.718 nan 8.190 nan 0.000 0.453 367 F N 3.122 123.083 119.950 0.018 0.000 2.783 367 F HA 0.173 4.699 4.527 -0.001 0.000 0.338 367 F C 1.504 177.259 175.800 -0.076 0.000 1.178 367 F CA -0.284 57.698 58.000 -0.031 0.000 1.343 367 F CB -0.451 38.536 39.000 -0.021 0.000 1.496 367 F HN 0.565 nan 8.300 nan 0.000 0.583 368 S N -0.163 115.508 115.700 -0.048 0.000 2.624 368 S HA 0.562 5.031 4.470 -0.000 0.000 0.263 368 S C -0.200 174.361 174.600 -0.065 0.000 1.287 368 S CA -0.708 57.446 58.200 -0.077 0.000 0.990 368 S CB 1.438 64.545 63.200 -0.154 0.000 0.950 368 S HN 0.282 nan 8.310 nan 0.000 0.561 369 I N 2.575 123.106 120.570 -0.065 0.000 2.428 369 I HA 0.327 4.496 4.170 -0.000 0.000 0.279 369 I C -2.169 173.913 176.117 -0.058 0.000 1.040 369 I CA -2.125 59.140 61.300 -0.058 0.000 1.171 369 I CB 1.497 39.467 38.000 -0.050 0.000 1.312 369 I HN 0.518 nan 8.210 nan 0.000 0.470 370 P HA 0.371 nan 4.420 nan 0.000 0.276 370 P C -2.795 174.424 177.300 -0.136 0.000 1.244 370 P CA -1.693 61.350 63.100 -0.096 0.000 0.801 370 P CB 0.752 32.385 31.700 -0.112 0.000 1.006 371 P HA 0.419 nan 4.420 nan 0.000 0.281 371 P C -0.402 176.749 177.300 -0.249 0.000 1.264 371 P CA -0.427 62.558 63.100 -0.193 0.000 0.824 371 P CB 1.236 32.836 31.700 -0.166 0.000 1.092 372 I N -0.150 120.240 120.570 -0.300 0.000 2.562 372 I HA 0.599 4.768 4.170 -0.000 0.000 0.301 372 I C 0.616 176.609 176.117 -0.206 0.000 1.003 372 I CA -0.582 60.556 61.300 -0.269 0.000 1.127 372 I CB 2.134 39.927 38.000 -0.346 0.000 1.304 372 I HN 0.379 nan 8.210 nan 0.000 0.446 373 G N 2.045 110.777 108.800 -0.113 0.000 2.643 373 G HA2 0.608 4.567 3.960 -0.000 0.000 0.305 373 G HA3 0.608 4.567 3.960 -0.000 0.000 0.305 373 G C -1.248 173.668 174.900 0.027 0.000 1.387 373 G CA -0.328 44.746 45.100 -0.044 0.000 0.982 373 G HN 0.493 nan 8.290 nan 0.000 0.501 374 T N -0.539 114.056 114.554 0.067 0.000 2.932 374 T HA 0.551 4.901 4.350 -0.000 0.000 0.318 374 T C -1.603 173.115 174.700 0.030 0.000 1.265 374 T CA -0.451 61.694 62.100 0.076 0.000 1.036 374 T CB 1.596 70.616 68.868 0.253 0.000 1.209 374 T HN 1.088 nan 8.240 nan 0.000 0.484 375 C N 3.490 122.754 119.300 -0.060 0.000 2.607 375 C HA 0.869 5.329 4.460 -0.000 0.000 0.350 375 C C 0.676 175.615 174.990 -0.086 0.000 1.101 375 C CA 1.143 60.137 59.018 -0.041 0.000 1.282 375 C CB -0.187 27.535 27.740 -0.030 0.000 1.825 375 C HN 1.683 nan 8.230 nan 0.000 0.460 376 G N 4.687 113.479 108.800 -0.013 0.000 2.512 376 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.210 376 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.210 376 G C -1.222 173.724 174.900 0.077 0.000 1.295 376 G CA -0.339 44.765 45.100 0.006 0.000 0.934 376 G HN 1.015 nan 8.290 nan 0.000 0.554 377 L N 1.171 122.451 121.223 0.095 0.000 2.312 377 L HA 0.592 4.932 4.340 -0.000 0.000 0.281 377 L C 1.340 178.341 176.870 0.217 0.000 1.070 377 L CA -0.894 54.023 54.840 0.128 0.000 0.805 377 L CB 1.230 43.350 42.059 0.102 0.000 1.174 377 L HN 0.713 nan 8.230 nan 0.000 0.434 378 I N -0.858 119.759 120.570 0.078 0.000 2.720 378 I HA 0.096 4.266 4.170 -0.000 0.000 0.287 378 I C 1.435 177.521 176.117 -0.052 0.000 1.090 378 I CA -0.506 60.741 61.300 -0.088 0.000 1.384 378 I CB 0.668 38.547 38.000 -0.202 0.000 1.420 378 I HN 0.823 nan 8.210 nan 0.000 0.575 379 E N 3.380 123.535 120.200 -0.075 0.000 2.130 379 E HA -0.287 4.063 4.350 -0.000 0.000 0.196 379 E C 1.276 177.654 176.600 -0.369 0.000 0.998 379 E CA 1.788 58.096 56.400 -0.153 0.000 0.806 379 E CB -0.429 29.256 29.700 -0.024 0.000 0.738 379 E HN 0.863 nan 8.360 nan 0.000 0.459 380 E N 1.518 121.556 120.200 -0.271 0.000 2.150 380 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 380 E C 2.335 178.846 176.600 -0.149 0.000 0.985 380 E CA 1.071 57.318 56.400 -0.255 0.000 0.814 380 E CB -0.501 29.133 29.700 -0.111 0.000 0.752 380 E HN 0.296 nan 8.360 nan 0.000 0.466 381 V N 1.888 121.750 119.914 -0.086 0.000 2.488 381 V HA -0.097 4.023 4.120 -0.000 0.000 0.246 381 V C 2.639 178.744 176.094 0.018 0.000 1.046 381 V CA 1.536 63.819 62.300 -0.028 0.000 1.053 381 V CB -0.666 31.151 31.823 -0.010 0.000 0.679 381 V HN 0.393 nan 8.190 nan 0.000 0.458 382 A N 0.201 123.045 122.820 0.039 0.000 1.933 382 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 382 A C 2.340 180.032 177.584 0.180 0.000 1.175 382 A CA 1.879 54.027 52.037 0.185 0.000 0.628 382 A CB -0.640 18.428 19.000 0.113 0.000 0.814 382 A HN 0.562 nan 8.150 nan 0.000 0.444 383 A N -0.666 122.135 122.820 -0.030 0.000 2.121 383 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 383 A C 2.007 179.616 177.584 0.041 0.000 1.154 383 A CA 1.503 53.530 52.037 -0.017 0.000 0.679 383 A CB -0.274 18.574 19.000 -0.253 0.000 0.795 383 A HN 0.540 nan 8.150 nan 0.000 0.458 384 K N -0.798 119.609 120.400 0.012 0.000 2.262 384 K HA 0.017 4.337 4.320 -0.000 0.000 0.200 384 K C 1.512 178.090 176.600 -0.037 0.000 1.049 384 K CA 1.015 57.301 56.287 -0.002 0.000 0.979 384 K CB 0.108 32.600 32.500 -0.014 0.000 0.773 384 K HN 0.559 nan 8.250 nan 0.000 0.474 385 E N -0.672 119.492 120.200 -0.061 0.000 2.216 385 E HA 0.069 4.419 4.350 -0.000 0.000 0.192 385 E C -0.408 175.896 176.600 -0.494 0.000 0.973 385 E CA 0.415 56.636 56.400 -0.298 0.000 0.851 385 E CB 0.396 29.871 29.700 -0.374 0.000 0.804 385 E HN 0.007 nan 8.360 nan 0.000 0.477 386 F N -0.211 119.759 119.950 0.033 0.000 2.551 386 F HA 0.252 4.778 4.527 -0.000 0.000 0.316 386 F C 1.166 177.009 175.800 0.072 0.000 1.089 386 F CA -0.812 57.220 58.000 0.054 0.000 0.915 386 F CB 1.673 40.712 39.000 0.065 0.000 1.186 386 F HN -0.226 nan 8.300 nan 0.000 0.456 387 E N 1.217 121.564 120.200 0.245 0.000 2.072 387 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 387 E C -0.247 176.475 176.600 0.203 0.000 0.985 387 E CA 1.183 57.688 56.400 0.175 0.000 0.801 387 E CB 0.328 30.107 29.700 0.131 0.000 0.750 387 E HN 0.452 nan 8.360 nan 0.000 0.452 388 K N 0.322 120.866 120.400 0.240 0.000 2.450 388 K HA 0.394 4.713 4.320 -0.000 0.000 0.257 388 K C -1.627 175.149 176.600 0.294 0.000 0.953 388 K CA -0.462 55.978 56.287 0.256 0.000 0.844 388 K CB 2.797 35.441 32.500 0.241 0.000 1.103 388 K HN -0.162 nan 8.250 nan 0.000 0.429 389 V N 2.314 122.416 119.914 0.314 0.000 2.483 389 V HA 0.604 4.724 4.120 -0.000 0.000 0.297 389 V C -0.621 175.640 176.094 0.278 0.000 1.027 389 V CA -0.885 61.573 62.300 0.263 0.000 0.855 389 V CB 1.676 33.638 31.823 0.230 0.000 0.995 389 V HN 0.891 nan 8.190 nan 0.000 0.424 390 A N 4.752 127.690 122.820 0.196 0.000 2.312 390 A HA 0.860 5.180 4.320 -0.000 0.000 0.326 390 A C -0.696 176.824 177.584 -0.107 0.000 1.172 390 A CA -0.508 51.495 52.037 -0.057 0.000 0.821 390 A CB 1.408 20.417 19.000 0.015 0.000 1.166 390 A HN 0.682 nan 8.150 nan 0.000 0.493 391 V N 2.926 122.566 119.914 -0.458 0.000 2.409 391 V HA 0.330 4.450 4.120 -0.000 0.000 0.291 391 V C -1.144 174.637 176.094 -0.523 0.000 1.020 391 V CA -0.264 61.788 62.300 -0.413 0.000 0.848 391 V CB 0.613 31.999 31.823 -0.728 0.000 0.990 391 V HN 0.794 nan 8.190 nan 0.000 0.430 392 Y N 4.759 124.912 120.300 -0.245 0.000 2.361 392 Y HA 0.751 5.301 4.550 -0.000 0.000 0.332 392 Y C 0.208 176.037 175.900 -0.118 0.000 1.101 392 Y CA -0.682 57.315 58.100 -0.171 0.000 1.137 392 Y CB 1.909 40.316 38.460 -0.088 0.000 1.207 392 Y HN 0.568 nan 8.280 nan 0.000 0.463 393 M N 3.128 122.753 119.600 0.042 0.000 2.322 393 M HA 0.498 4.978 4.480 -0.000 0.000 0.286 393 M C -1.724 174.641 176.300 0.108 0.000 1.111 393 M CA -0.249 55.090 55.300 0.066 0.000 0.941 393 M CB 1.849 34.468 32.600 0.032 0.000 1.671 393 M HN 0.603 nan 8.290 nan 0.000 0.470 394 S N 2.554 118.353 115.700 0.164 0.000 2.541 394 S HA 0.804 5.274 4.470 -0.000 0.000 0.280 394 S C -1.671 173.093 174.600 0.275 0.000 1.112 394 S CA -0.402 57.937 58.200 0.232 0.000 0.925 394 S CB 2.206 65.576 63.200 0.285 0.000 1.067 394 S HN 0.746 nan 8.310 nan 0.000 0.479 395 S N 3.284 119.150 115.700 0.276 0.000 2.720 395 S HA 0.745 5.215 4.470 -0.000 0.000 0.278 395 S C -1.550 173.192 174.600 0.236 0.000 1.172 395 S CA -0.683 57.610 58.200 0.155 0.000 1.019 395 S CB 0.097 63.349 63.200 0.088 0.000 1.049 395 S HN 0.770 nan 8.310 nan 0.000 0.483 396 F N 0.533 120.560 119.950 0.128 0.000 2.608 396 F HA 0.628 5.155 4.527 -0.000 0.000 0.309 396 F C -0.374 175.497 175.800 0.118 0.000 1.103 396 F CA -0.854 57.210 58.000 0.106 0.000 0.954 396 F CB 0.985 40.041 39.000 0.093 0.000 1.267 396 F HN 0.201 nan 8.300 nan 0.000 0.444 397 T N 4.613 119.278 114.554 0.185 0.000 2.723 397 T HA 0.358 4.708 4.350 -0.000 0.000 0.297 397 T C -2.378 172.490 174.700 0.281 0.000 0.925 397 T CA -0.857 61.323 62.100 0.133 0.000 1.030 397 T CB 0.467 69.393 68.868 0.097 0.000 0.905 397 T HN 0.361 nan 8.240 nan 0.000 0.502 398 P HA 0.063 nan 4.420 nan 0.000 0.271 398 P C -0.024 177.400 177.300 0.207 0.000 1.238 398 P CA -0.574 62.752 63.100 0.376 0.000 0.794 398 P CB 0.522 32.403 31.700 0.303 0.000 0.959 399 L N 3.078 124.390 121.223 0.148 0.000 2.505 399 L HA 0.138 4.478 4.340 -0.000 0.000 0.279 399 L C 0.974 177.867 176.870 0.039 0.000 1.211 399 L CA 0.827 55.710 54.840 0.071 0.000 1.059 399 L CB -1.191 40.883 42.059 0.026 0.000 1.340 399 L HN 0.568 nan 8.230 nan 0.000 0.447 400 M N -0.654 118.970 119.600 0.041 0.000 2.779 400 M HA -0.152 4.328 4.480 -0.000 0.000 0.274 400 M C -0.121 176.165 176.300 -0.024 0.000 0.653 400 M CA 0.232 55.574 55.300 0.070 0.000 0.992 400 M CB -0.735 31.827 32.600 -0.064 0.000 3.072 400 M HN 0.222 nan 8.290 nan 0.000 0.584 401 H N 1.366 120.507 119.070 0.117 0.000 2.563 401 H HA 0.338 4.893 4.556 -0.000 0.000 0.264 401 H C 1.159 176.493 175.328 0.009 0.000 0.957 401 H CA 0.938 57.012 56.048 0.044 0.000 1.173 401 H CB -0.015 29.730 29.762 -0.028 0.000 1.420 401 H HN 0.539 nan 8.280 nan 0.000 0.551 402 N N 1.047 119.812 118.700 0.108 0.000 2.058 402 N HA -0.100 4.640 4.740 -0.000 0.000 0.191 402 N C 2.060 177.567 175.510 -0.004 0.000 1.037 402 N CA 0.869 53.948 53.050 0.047 0.000 0.848 402 N CB -0.178 38.329 38.487 0.032 0.000 1.021 402 N HN 0.344 nan 8.380 nan 0.000 0.422 403 I N 0.946 121.476 120.570 -0.067 0.000 2.353 403 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 403 I C 2.228 178.235 176.117 -0.183 0.000 1.119 403 I CA 0.891 62.056 61.300 -0.225 0.000 1.417 403 I CB -0.379 37.319 38.000 -0.503 0.000 1.078 403 I HN 0.153 nan 8.210 nan 0.000 0.421 404 S N 0.562 116.287 115.700 0.041 0.000 2.474 404 S HA -0.020 4.450 4.470 -0.000 0.000 0.235 404 S C 1.802 176.501 174.600 0.166 0.000 0.997 404 S CA 0.900 59.249 58.200 0.247 0.000 0.949 404 S CB -0.072 63.394 63.200 0.443 0.000 0.766 404 S HN 0.640 nan 8.310 nan 0.000 0.517 405 G N 0.053 108.914 108.800 0.102 0.000 2.175 405 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 405 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 405 G C 0.362 175.296 174.900 0.057 0.000 0.982 405 G CA 0.149 45.292 45.100 0.072 0.000 0.641 405 G HN 0.641 nan 8.290 nan 0.000 0.527 406 S N 0.839 116.547 115.700 0.014 0.000 3.812 406 S HA 0.302 4.772 4.470 -0.000 0.000 0.195 406 S C 1.546 175.870 174.600 -0.459 0.000 1.460 406 S CA 0.057 58.076 58.200 -0.302 0.000 1.052 406 S CB 0.498 63.395 63.200 -0.505 0.000 1.385 406 S HN 0.507 nan 8.310 nan 0.000 0.490 407 K N 0.559 120.866 120.400 -0.155 0.000 2.280 407 K HA -0.137 4.183 4.320 -0.000 0.000 0.202 407 K C 1.404 177.954 176.600 -0.084 0.000 1.047 407 K CA 1.195 57.443 56.287 -0.065 0.000 0.942 407 K CB -0.180 32.339 32.500 0.032 0.000 0.739 407 K HN 0.792 nan 8.250 nan 0.000 0.457 408 Y N -0.001 120.273 120.300 -0.043 0.000 2.639 408 Y HA 0.038 4.588 4.550 -0.000 0.000 0.297 408 Y C 0.105 175.944 175.900 -0.100 0.000 1.151 408 Y CA 0.124 58.187 58.100 -0.062 0.000 1.335 408 Y CB -0.383 38.038 38.460 -0.065 0.000 0.994 408 Y HN -0.260 nan 8.280 nan 0.000 0.548 409 K N 2.812 122.893 120.400 -0.533 0.000 2.278 409 K HA 0.113 4.433 4.320 -0.000 0.000 0.237 409 K C -0.394 176.083 176.600 -0.206 0.000 1.229 409 K CA 0.008 56.035 56.287 -0.434 0.000 1.155 409 K CB 0.029 32.040 32.500 -0.815 0.000 1.590 409 K HN 0.324 nan 8.250 nan 0.000 0.290 410 K N 1.327 121.647 120.400 -0.132 0.000 2.350 410 K HA 0.077 4.396 4.320 -0.000 0.000 0.279 410 K C -0.216 176.247 176.600 -0.228 0.000 1.027 410 K CA -0.313 55.885 56.287 -0.149 0.000 0.969 410 K CB 0.529 32.969 32.500 -0.100 0.000 0.954 410 K HN 0.183 nan 8.250 nan 0.000 0.474 411 F N 2.941 122.543 119.950 -0.580 0.000 2.410 411 F HA 0.162 4.689 4.527 -0.000 0.000 0.348 411 F C -0.338 175.141 175.800 -0.534 0.000 1.106 411 F CA -0.510 57.095 58.000 -0.658 0.000 1.163 411 F CB 0.782 39.097 39.000 -1.142 0.000 1.129 411 F HN 0.088 nan 8.300 nan 0.000 0.516 412 V N 5.597 125.183 119.914 -0.547 0.000 2.459 412 V HA 0.757 4.877 4.120 -0.000 0.000 0.295 412 V C -0.309 175.725 176.094 -0.100 0.000 1.029 412 V CA -0.725 61.448 62.300 -0.212 0.000 0.874 412 V CB 1.176 32.894 31.823 -0.176 0.000 0.985 412 V HN 0.924 nan 8.190 nan 0.000 0.438 413 A N 5.137 128.066 122.820 0.183 0.000 2.343 413 A HA 0.832 5.152 4.320 -0.000 0.000 0.308 413 A C -0.582 177.094 177.584 0.153 0.000 1.092 413 A CA -0.738 51.440 52.037 0.236 0.000 0.751 413 A CB 1.162 20.404 19.000 0.403 0.000 1.203 413 A HN 0.759 nan 8.150 nan 0.000 0.452 414 K N 2.357 122.824 120.400 0.111 0.000 2.471 414 K HA 0.613 4.933 4.320 -0.000 0.000 0.252 414 K C -1.510 175.124 176.600 0.056 0.000 0.938 414 K CA -0.295 56.058 56.287 0.111 0.000 0.796 414 K CB 2.271 34.867 32.500 0.160 0.000 1.161 414 K HN 0.681 nan 8.250 nan 0.000 0.425 415 I N 2.910 123.498 120.570 0.029 0.000 2.406 415 I HA 0.322 4.491 4.170 -0.000 0.000 0.290 415 I C -0.486 175.653 176.117 0.037 0.000 0.999 415 I CA -1.261 59.992 61.300 -0.078 0.000 1.124 415 I CB 1.945 39.785 38.000 -0.266 0.000 1.289 415 I HN 0.146 nan 8.210 nan 0.000 0.441 416 V N 4.579 124.497 119.914 0.007 0.000 2.398 416 V HA 0.557 4.677 4.120 -0.000 0.000 0.286 416 V C 0.222 176.314 176.094 -0.003 0.000 1.026 416 V CA -0.388 61.944 62.300 0.053 0.000 0.868 416 V CB 1.650 33.526 31.823 0.089 0.000 0.982 416 V HN 0.893 nan 8.190 nan 0.000 0.443 417 T N 0.404 114.986 114.554 0.047 0.000 2.907 417 T HA 0.423 4.773 4.350 -0.000 0.000 0.292 417 T C -0.345 174.333 174.700 -0.037 0.000 1.043 417 T CA -0.856 61.243 62.100 -0.001 0.000 1.003 417 T CB 1.705 70.626 68.868 0.088 0.000 1.084 417 T HN 0.441 nan 8.240 nan 0.000 0.483 418 N N 0.733 119.323 118.700 -0.184 0.000 2.400 418 N HA 0.034 4.774 4.740 -0.000 0.000 0.267 418 N C 0.754 176.290 175.510 0.044 0.000 1.208 418 N CA 0.128 53.060 53.050 -0.198 0.000 0.951 418 N CB 0.163 38.401 38.487 -0.416 0.000 1.227 418 N HN 0.863 nan 8.380 nan 0.000 0.488 419 H N 2.285 121.398 119.070 0.072 0.000 2.456 419 H HA 0.010 4.565 4.556 -0.000 0.000 0.296 419 H C 1.424 176.815 175.328 0.106 0.000 1.079 419 H CA 1.746 57.879 56.048 0.142 0.000 1.322 419 H CB 0.403 30.305 29.762 0.234 0.000 1.388 419 H HN 0.525 nan 8.280 nan 0.000 0.538 420 S N -0.119 115.613 115.700 0.054 0.000 2.387 420 S HA -0.171 4.298 4.470 -0.000 0.000 0.230 420 S C 1.130 175.705 174.600 -0.042 0.000 1.035 420 S CA 1.704 59.907 58.200 0.004 0.000 1.014 420 S CB -0.116 63.127 63.200 0.072 0.000 0.836 420 S HN 0.873 nan 8.310 nan 0.000 0.466 421 D N -2.285 118.094 120.400 -0.036 0.000 2.538 421 D HA 0.270 4.910 4.640 -0.000 0.000 0.241 421 D C 0.943 177.217 176.300 -0.042 0.000 1.297 421 D CA 0.570 54.548 54.000 -0.036 0.000 0.804 421 D CB -0.493 40.301 40.800 -0.010 0.000 1.122 421 D HN 0.313 nan 8.370 nan 0.000 0.519 422 G N 0.508 109.285 108.800 -0.039 0.000 2.189 422 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.267 422 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.267 422 G C 0.472 175.348 174.900 -0.041 0.000 0.975 422 G CA 0.618 45.710 45.100 -0.014 0.000 0.644 422 G HN 0.459 nan 8.290 nan 0.000 0.537 423 T N 0.915 115.433 114.554 -0.059 0.000 2.908 423 T HA 0.342 4.692 4.350 -0.000 0.000 0.301 423 T C 0.812 175.453 174.700 -0.098 0.000 1.019 423 T CA 0.106 62.163 62.100 -0.073 0.000 1.152 423 T CB 1.905 70.723 68.868 -0.084 0.000 0.966 423 T HN 0.418 nan 8.240 nan 0.000 0.540 424 V N 5.972 125.841 119.914 -0.074 0.000 2.427 424 V HA 0.118 4.237 4.120 -0.000 0.000 0.268 424 V C 1.147 177.185 176.094 -0.094 0.000 1.046 424 V CA 0.144 62.382 62.300 -0.103 0.000 0.970 424 V CB 0.538 32.299 31.823 -0.103 0.000 1.001 424 V HN 0.823 nan 8.190 nan 0.000 0.476 425 L N 4.230 125.384 121.223 -0.116 0.000 2.515 425 L HA 0.511 4.850 4.340 -0.000 0.000 0.223 425 L C 1.017 177.855 176.870 -0.053 0.000 1.079 425 L CA 0.599 55.383 54.840 -0.094 0.000 0.857 425 L CB 0.316 42.283 42.059 -0.153 0.000 1.050 425 L HN 0.771 nan 8.230 nan 0.000 0.476 426 G N -0.484 108.261 108.800 -0.092 0.000 2.702 426 G HA2 0.532 4.492 3.960 -0.000 0.000 0.296 426 G HA3 0.532 4.492 3.960 -0.000 0.000 0.296 426 G C -1.940 172.738 174.900 -0.369 0.000 1.463 426 G CA -0.319 44.675 45.100 -0.177 0.000 0.890 426 G HN -0.292 nan 8.290 nan 0.000 0.534 427 V N 2.535 122.083 119.914 -0.611 0.000 2.577 427 V HA 0.602 4.722 4.120 -0.000 0.000 0.303 427 V C -1.110 174.540 176.094 -0.740 0.000 1.042 427 V CA -0.928 61.047 62.300 -0.541 0.000 0.872 427 V CB 1.859 33.499 31.823 -0.304 0.000 0.998 427 V HN 0.822 nan 8.190 nan 0.000 0.423 428 H N 5.397 124.457 119.070 -0.017 0.000 2.689 428 H HA 0.699 5.255 4.556 -0.000 0.000 0.346 428 H C -1.150 174.158 175.328 -0.034 0.000 1.037 428 H CA -0.515 55.529 56.048 -0.008 0.000 1.234 428 H CB 2.337 32.102 29.762 0.005 0.000 1.572 428 H HN 0.437 nan 8.280 nan 0.000 0.524 429 L N 3.300 124.533 121.223 0.017 0.000 2.401 429 L HA 0.480 4.820 4.340 -0.000 0.000 0.266 429 L C -0.928 175.771 176.870 -0.285 0.000 0.991 429 L CA -1.073 53.687 54.840 -0.132 0.000 0.818 429 L CB 2.743 44.778 42.059 -0.040 0.000 1.321 429 L HN 0.259 nan 8.230 nan 0.000 0.413 430 L N 1.939 122.821 121.223 -0.568 0.000 2.438 430 L HA 0.998 5.338 4.340 -0.000 0.000 0.270 430 L C -0.342 175.993 176.870 -0.892 0.000 0.972 430 L CA 0.341 54.852 54.840 -0.548 0.000 0.831 430 L CB 1.838 43.671 42.059 -0.377 0.000 1.273 430 L HN 0.767 nan 8.230 nan 0.000 0.405 431 G N 2.641 111.117 108.800 -0.540 0.000 2.339 431 G HA2 0.078 4.038 3.960 -0.000 0.000 0.381 431 G HA3 0.078 4.038 3.960 -0.000 0.000 0.381 431 G C -1.757 173.156 174.900 0.021 0.000 1.400 431 G CA -0.924 44.003 45.100 -0.288 0.000 1.002 431 G HN 0.626 nan 8.290 nan 0.000 0.633 432 D N 0.007 120.497 120.400 0.149 0.000 2.443 432 D HA 0.437 5.077 4.640 -0.000 0.000 0.239 432 D C 1.556 177.989 176.300 0.222 0.000 1.136 432 D CA 2.072 56.160 54.000 0.146 0.000 0.879 432 D CB 1.059 41.946 40.800 0.145 0.000 1.195 432 D HN 1.885 nan 8.370 nan 0.000 0.443 433 G N 1.455 110.346 108.800 0.152 0.000 2.253 433 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.251 433 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.251 433 G C 1.269 176.267 174.900 0.164 0.000 0.998 433 G CA 0.958 46.151 45.100 0.155 0.000 0.621 433 G HN 0.719 nan 8.290 nan 0.000 0.524 434 A N 1.608 124.524 122.820 0.160 0.000 1.884 434 A HA 0.044 4.364 4.320 -0.000 0.000 0.219 434 A C 0.627 178.225 177.584 0.024 0.000 1.197 434 A CA 2.843 54.932 52.037 0.085 0.000 0.637 434 A CB -1.381 17.578 19.000 -0.069 0.000 0.827 434 A HN 0.495 nan 8.150 nan 0.000 0.450 435 P HA -0.147 nan 4.420 nan 0.000 0.216 435 P C 1.243 178.577 177.300 0.056 0.000 1.150 435 P CA 1.340 64.412 63.100 -0.047 0.000 0.837 435 P CB -0.036 31.603 31.700 -0.102 0.000 0.786 436 E N -0.663 119.587 120.200 0.084 0.000 2.076 436 E HA -0.052 4.297 4.350 -0.000 0.000 0.190 436 E C 2.147 178.795 176.600 0.080 0.000 0.979 436 E CA 0.887 57.339 56.400 0.086 0.000 0.807 436 E CB -0.651 29.099 29.700 0.084 0.000 0.761 436 E HN 0.333 nan 8.360 nan 0.000 0.454 437 I N 0.790 121.417 120.570 0.096 0.000 2.315 437 I HA -0.228 3.941 4.170 -0.000 0.000 0.248 437 I C 2.437 178.612 176.117 0.096 0.000 1.117 437 I CA 0.564 61.928 61.300 0.106 0.000 1.404 437 I CB -0.105 37.988 38.000 0.155 0.000 1.071 437 I HN 0.020 nan 8.210 nan 0.000 0.419 438 I N 0.687 121.306 120.570 0.082 0.000 2.546 438 I HA -0.259 3.911 4.170 -0.000 0.000 0.255 438 I C 2.409 178.563 176.117 0.061 0.000 1.163 438 I CA 1.286 62.626 61.300 0.066 0.000 1.457 438 I CB -0.299 37.726 38.000 0.041 0.000 1.092 438 I HN 0.191 nan 8.210 nan 0.000 0.434 439 Q N 1.185 121.022 119.800 0.061 0.000 2.045 439 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 439 Q C 2.147 178.176 176.000 0.048 0.000 0.991 439 Q CA 2.665 58.500 55.803 0.054 0.000 0.851 439 Q CB -0.549 28.221 28.738 0.054 0.000 0.911 439 Q HN 0.545 nan 8.270 nan 0.000 0.418 440 A N -0.864 121.985 122.820 0.048 0.000 2.119 440 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 440 A C 2.176 179.790 177.584 0.051 0.000 1.152 440 A CA 1.014 53.072 52.037 0.036 0.000 0.708 440 A CB -0.329 18.684 19.000 0.022 0.000 0.805 440 A HN 0.273 nan 8.150 nan 0.000 0.460 441 V N -0.082 119.884 119.914 0.087 0.000 2.427 441 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 441 V C 2.790 178.939 176.094 0.092 0.000 1.051 441 V CA 1.815 64.199 62.300 0.141 0.000 1.048 441 V CB -1.255 30.653 31.823 0.142 0.000 0.666 441 V HN 0.590 nan 8.190 nan 0.000 0.456 442 G N -0.121 108.713 108.800 0.056 0.000 2.450 442 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.220 442 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.220 442 G C 1.587 176.507 174.900 0.032 0.000 1.130 442 G CA 1.346 46.469 45.100 0.039 0.000 0.760 442 G HN 0.429 nan 8.290 nan 0.000 0.557 443 V N 0.331 120.261 119.914 0.028 0.000 2.407 443 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 443 V C 3.009 179.107 176.094 0.006 0.000 1.041 443 V CA 1.447 63.753 62.300 0.011 0.000 1.040 443 V CB -0.689 31.134 31.823 -0.001 0.000 0.671 443 V HN 0.486 nan 8.190 nan 0.000 0.455 444 C N 0.069 119.379 119.300 0.016 0.000 2.376 444 C HA -0.214 4.245 4.460 -0.000 0.000 0.275 444 C C 2.593 177.610 174.990 0.045 0.000 1.200 444 C CA 0.994 60.018 59.018 0.010 0.000 1.756 444 C CB -1.240 26.539 27.740 0.064 0.000 2.050 444 C HN 0.476 nan 8.230 nan 0.000 0.460 445 L N 0.639 121.904 121.223 0.070 0.000 2.261 445 L HA -0.088 4.251 4.340 -0.000 0.000 0.216 445 L C 2.536 179.421 176.870 0.026 0.000 1.114 445 L CA 1.612 56.482 54.840 0.050 0.000 0.777 445 L CB -0.745 41.336 42.059 0.036 0.000 0.910 445 L HN 0.341 nan 8.230 nan 0.000 0.440 446 R N -0.977 119.533 120.500 0.017 0.000 2.299 446 R HA 0.099 4.439 4.340 -0.000 0.000 0.197 446 R C 0.908 177.209 176.300 0.001 0.000 0.971 446 R CA 0.423 56.528 56.100 0.008 0.000 1.030 446 R CB -0.020 30.283 30.300 0.005 0.000 0.932 446 R HN 0.321 nan 8.270 nan 0.000 0.477 447 L N 0.871 122.092 121.223 -0.005 0.000 2.872 447 L HA 0.211 4.551 4.340 -0.000 0.000 0.245 447 L C -0.417 176.446 176.870 -0.013 0.000 1.211 447 L CA -0.354 54.477 54.840 -0.015 0.000 1.013 447 L CB -0.009 42.029 42.059 -0.034 0.000 1.326 447 L HN 0.030 nan 8.230 nan 0.000 0.525 448 N N 1.050 119.751 118.700 0.001 0.000 2.716 448 N HA -0.202 4.538 4.740 -0.000 0.000 0.250 448 N C 0.372 175.880 175.510 -0.003 0.000 1.033 448 N CA 0.960 54.012 53.050 0.003 0.000 0.727 448 N CB -0.917 37.571 38.487 0.003 0.000 0.950 448 N HN 0.488 nan 8.380 nan 0.000 0.541 449 A N 0.020 122.848 122.820 0.013 0.000 2.565 449 A HA 0.164 4.483 4.320 -0.000 0.000 0.237 449 A C 0.854 178.468 177.584 0.050 0.000 1.053 449 A CA 0.458 52.512 52.037 0.028 0.000 0.755 449 A CB 0.439 19.495 19.000 0.094 0.000 0.980 449 A HN 0.301 nan 8.150 nan 0.000 0.506 450 K N 1.579 121.984 120.400 0.008 0.000 2.168 450 K HA 0.380 4.699 4.320 -0.000 0.000 0.239 450 K C 0.938 177.524 176.600 -0.024 0.000 0.999 450 K CA -0.831 55.438 56.287 -0.030 0.000 0.900 450 K CB 1.149 33.603 32.500 -0.077 0.000 1.111 450 K HN 0.538 nan 8.250 nan 0.000 0.452 451 I N 1.592 122.080 120.570 -0.137 0.000 2.286 451 I HA -0.285 3.884 4.170 -0.000 0.000 0.248 451 I C 2.065 177.907 176.117 -0.458 0.000 1.115 451 I CA 1.870 63.016 61.300 -0.255 0.000 1.392 451 I CB -0.291 37.468 38.000 -0.402 0.000 1.065 451 I HN 0.750 nan 8.210 nan 0.000 0.418 452 S N -0.454 114.844 115.700 -0.669 0.000 2.442 452 S HA -0.180 4.290 4.470 -0.000 0.000 0.236 452 S C 1.700 175.931 174.600 -0.615 0.000 1.007 452 S CA 1.296 58.778 58.200 -1.196 0.000 0.965 452 S CB -0.740 62.094 63.200 -0.610 0.000 0.773 452 S HN 0.524 nan 8.310 nan 0.000 0.504 453 D N 0.629 120.847 120.400 -0.302 0.000 2.183 453 D HA 0.077 4.716 4.640 -0.000 0.000 0.203 453 D C 1.414 177.565 176.300 -0.249 0.000 0.969 453 D CA 0.737 54.597 54.000 -0.233 0.000 0.842 453 D CB -0.325 40.351 40.800 -0.207 0.000 0.957 453 D HN 0.450 nan 8.370 nan 0.000 0.484 454 F N 0.869 120.687 119.950 -0.219 0.000 2.084 454 F HA -0.207 4.320 4.527 -0.000 0.000 0.296 454 F C 2.420 178.194 175.800 -0.044 0.000 1.111 454 F CA 1.039 58.966 58.000 -0.122 0.000 1.224 454 F CB -0.746 38.182 39.000 -0.120 0.000 0.991 454 F HN 0.039 nan 8.300 nan 0.000 0.471 455 Y N -0.860 119.512 120.300 0.120 0.000 2.439 455 Y HA 0.025 4.575 4.550 -0.001 0.000 0.292 455 Y C 1.537 177.448 175.900 0.018 0.000 1.130 455 Y CA 0.570 58.701 58.100 0.052 0.000 1.254 455 Y CB -1.641 36.838 38.460 0.032 0.000 1.000 455 Y HN -0.025 nan 8.280 nan 0.000 0.554 456 N N 0.059 118.841 118.700 0.136 0.000 2.467 456 N HA -0.006 4.733 4.740 -0.000 0.000 0.184 456 N C -0.147 175.376 175.510 0.021 0.000 1.106 456 N CA 0.737 53.843 53.050 0.093 0.000 0.892 456 N CB -0.180 38.323 38.487 0.027 0.000 0.969 456 N HN 0.294 nan 8.380 nan 0.000 0.454 457 T N 1.649 116.196 114.554 -0.010 0.000 2.869 457 T HA 0.294 4.644 4.350 -0.000 0.000 0.295 457 T C 0.914 175.614 174.700 -0.001 0.000 0.987 457 T CA -0.353 61.724 62.100 -0.038 0.000 1.109 457 T CB 1.215 70.023 68.868 -0.100 0.000 0.932 457 T HN -0.026 nan 8.240 nan 0.000 0.518 458 I N 2.738 123.303 120.570 -0.009 0.000 2.556 458 I HA 0.187 4.357 4.170 -0.000 0.000 0.284 458 I C 1.527 177.646 176.117 0.003 0.000 1.114 458 I CA -0.243 61.056 61.300 -0.000 0.000 1.418 458 I CB 0.324 38.321 38.000 -0.006 0.000 1.394 458 I HN 0.685 nan 8.210 nan 0.000 0.552 459 G N 5.702 114.508 108.800 0.009 0.000 2.559 459 G HA2 0.267 4.226 3.960 -0.000 0.000 0.235 459 G HA3 0.267 4.226 3.960 -0.000 0.000 0.235 459 G C -0.293 174.623 174.900 0.027 0.000 1.266 459 G CA -0.412 44.698 45.100 0.018 0.000 0.847 459 G HN 0.412 nan 8.290 nan 0.000 0.583 460 V N 2.452 122.386 119.914 0.033 0.000 2.370 460 V HA 0.381 4.501 4.120 -0.000 0.000 0.279 460 V C -0.167 175.969 176.094 0.070 0.000 1.029 460 V CA -0.519 61.804 62.300 0.039 0.000 0.870 460 V CB 1.078 32.909 31.823 0.013 0.000 0.984 460 V HN 0.929 nan 8.190 nan 0.000 0.451 461 H N 5.565 124.615 119.070 -0.034 0.000 2.679 461 H HA 0.751 5.307 4.556 -0.001 0.000 0.360 461 H C -2.688 172.620 175.328 -0.032 0.000 1.105 461 H CA -1.672 54.351 56.048 -0.042 0.000 1.196 461 H CB 2.255 31.991 29.762 -0.043 0.000 1.636 461 H HN 0.551 nan 8.280 nan 0.000 0.531 462 P HA 0.310 nan 4.420 nan 0.000 0.297 462 P C -1.209 175.949 177.300 -0.237 0.000 1.319 462 P CA -0.610 62.106 63.100 -0.639 0.000 0.810 462 P CB 1.475 32.759 31.700 -0.693 0.000 0.947 463 T N -2.141 112.326 114.554 -0.144 0.000 2.865 463 T HA 0.370 4.720 4.350 -0.000 0.000 0.294 463 T C 0.834 175.456 174.700 -0.130 0.000 1.119 463 T CA -0.574 61.465 62.100 -0.102 0.000 1.007 463 T CB 1.244 70.073 68.868 -0.064 0.000 1.225 463 T HN -0.003 nan 8.240 nan 0.000 0.515 464 S N 0.214 115.821 115.700 -0.154 0.000 2.387 464 S HA 0.058 4.528 4.470 -0.000 0.000 0.226 464 S C 2.442 176.879 174.600 -0.271 0.000 1.026 464 S CA 0.943 58.972 58.200 -0.284 0.000 0.972 464 S CB -0.820 61.955 63.200 -0.708 0.000 0.814 464 S HN 0.904 nan 8.310 nan 0.000 0.477 465 A N 2.265 124.998 122.820 -0.144 0.000 1.978 465 A HA -0.200 4.119 4.320 -0.000 0.000 0.220 465 A C 1.979 179.570 177.584 0.011 0.000 1.170 465 A CA 1.711 53.737 52.037 -0.018 0.000 0.636 465 A CB -0.692 18.325 19.000 0.028 0.000 0.810 465 A HN 0.766 nan 8.150 nan 0.000 0.448 466 E N -0.448 119.738 120.200 -0.024 0.000 2.267 466 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 466 E C 1.344 177.935 176.600 -0.016 0.000 0.998 466 E CA 1.134 57.531 56.400 -0.005 0.000 0.830 466 E CB -0.307 29.390 29.700 -0.005 0.000 0.751 466 E HN 0.512 nan 8.360 nan 0.000 0.491 467 E N 1.098 121.256 120.200 -0.070 0.000 2.171 467 E HA -0.156 4.194 4.350 -0.000 0.000 0.197 467 E C 2.137 178.777 176.600 0.066 0.000 0.997 467 E CA 0.823 57.198 56.400 -0.042 0.000 0.810 467 E CB -0.202 29.500 29.700 0.004 0.000 0.738 467 E HN 0.475 nan 8.360 nan 0.000 0.467 468 L N -0.533 120.752 121.223 0.104 0.000 2.265 468 L HA -0.169 4.170 4.340 -0.000 0.000 0.215 468 L C 1.807 178.780 176.870 0.172 0.000 1.117 468 L CA 0.558 55.469 54.840 0.118 0.000 0.782 468 L CB -0.035 42.125 42.059 0.168 0.000 0.914 468 L HN 0.119 nan 8.230 nan 0.000 0.441 469 C N -1.610 117.788 119.300 0.163 0.000 2.778 469 C HA 0.199 4.659 4.460 -0.000 0.000 0.294 469 C C 1.795 176.865 174.990 0.133 0.000 1.331 469 C CA -0.187 58.938 59.018 0.179 0.000 1.741 469 C CB -0.546 27.268 27.740 0.125 0.000 2.106 469 C HN 0.312 nan 8.230 nan 0.000 0.603 470 S N 0.165 115.922 115.700 0.095 0.000 2.730 470 S HA 0.338 4.808 4.470 -0.000 0.000 0.244 470 S C 0.178 174.811 174.600 0.056 0.000 1.022 470 S CA -0.044 58.186 58.200 0.050 0.000 1.014 470 S CB 0.042 63.238 63.200 -0.006 0.000 0.963 470 S HN 0.523 nan 8.310 nan 0.000 0.540 471 M N 2.496 122.160 119.600 0.107 0.000 2.101 471 M HA 0.388 4.868 4.480 -0.000 0.000 0.340 471 M C 0.883 177.302 176.300 0.197 0.000 1.057 471 M CA -0.247 55.140 55.300 0.145 0.000 0.984 471 M CB 1.406 34.107 32.600 0.168 0.000 1.560 471 M HN 0.160 nan 8.290 nan 0.000 0.435 472 R N 0.076 120.653 120.500 0.129 0.000 2.453 472 R HA 0.271 4.611 4.340 -0.000 0.000 0.233 472 R C -0.403 176.061 176.300 0.273 0.000 0.895 472 R CA -0.021 56.080 56.100 0.001 0.000 1.028 472 R CB 0.365 30.310 30.300 -0.592 0.000 1.255 472 R HN 0.405 nan 8.270 nan 0.000 0.571 473 T N 3.706 118.383 114.554 0.204 0.000 2.786 473 T HA 0.399 4.748 4.350 -0.000 0.000 0.283 473 T C -2.705 171.811 174.700 -0.306 0.000 0.992 473 T CA -1.691 60.421 62.100 0.020 0.000 0.954 473 T CB 2.246 71.103 68.868 -0.020 0.000 0.934 473 T HN -0.071 nan 8.240 nan 0.000 0.440 474 P HA 0.191 nan 4.420 nan 0.000 0.267 474 P C 0.415 177.309 177.300 -0.677 0.000 1.200 474 P CA -0.050 62.348 63.100 -1.171 0.000 0.772 474 P CB 0.565 31.492 31.700 -1.289 0.000 0.855 475 S N 0.929 116.246 115.700 -0.639 0.000 2.439 475 S HA 0.079 4.549 4.470 -0.000 0.000 0.224 475 S C 0.247 174.692 174.600 -0.258 0.000 1.029 475 S CA 0.819 58.815 58.200 -0.340 0.000 0.946 475 S CB -0.487 62.579 63.200 -0.224 0.000 0.797 475 S HN 0.691 nan 8.310 nan 0.000 0.504 476 Y N -2.379 117.618 120.300 -0.504 0.000 2.871 476 Y HA 0.703 5.253 4.550 -0.000 0.000 0.331 476 Y C -1.676 173.792 175.900 -0.720 0.000 1.378 476 Y CA -2.131 55.686 58.100 -0.470 0.000 1.079 476 Y CB 0.569 38.878 38.460 -0.252 0.000 1.441 476 Y HN -0.093 nan 8.280 nan 0.000 0.446 477 Y N -0.923 119.405 120.300 0.046 0.000 2.615 477 Y HA 0.648 5.197 4.550 -0.001 0.000 0.341 477 Y C -1.569 174.327 175.900 -0.007 0.000 1.089 477 Y CA -1.527 56.570 58.100 -0.005 0.000 1.049 477 Y CB 2.200 40.614 38.460 -0.077 0.000 1.296 477 Y HN 0.569 nan 8.280 nan 0.000 0.470 478 Y N 0.574 121.027 120.300 0.254 0.000 2.350 478 Y HA 0.632 5.182 4.550 -0.001 0.000 0.338 478 Y C -0.777 175.222 175.900 0.164 0.000 0.961 478 Y CA -1.160 57.053 58.100 0.189 0.000 1.100 478 Y CB 1.782 40.338 38.460 0.160 0.000 1.179 478 Y HN 0.192 nan 8.280 nan 0.000 0.454 479 V N 4.262 124.319 119.914 0.238 0.000 2.357 479 V HA 0.231 4.351 4.120 -0.000 0.000 0.284 479 V C -0.102 176.079 176.094 0.145 0.000 1.018 479 V CA -1.581 60.817 62.300 0.163 0.000 0.841 479 V CB 1.218 33.092 31.823 0.085 0.000 0.991 479 V HN 0.841 nan 8.190 nan 0.000 0.437 480 K N 3.795 124.279 120.400 0.139 0.000 3.016 480 K HA -0.262 4.058 4.320 -0.000 0.000 0.262 480 K C 1.094 177.767 176.600 0.122 0.000 1.043 480 K CA 0.715 57.067 56.287 0.109 0.000 0.761 480 K CB -1.508 31.038 32.500 0.076 0.000 1.230 480 K HN 1.534 nan 8.250 nan 0.000 0.485 481 G N 0.399 109.307 108.800 0.179 0.000 2.175 481 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.244 481 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.244 481 G C -0.213 174.851 174.900 0.273 0.000 0.982 481 G CA 0.371 45.588 45.100 0.196 0.000 0.641 481 G HN 0.540 nan 8.290 nan 0.000 0.527 482 E N 0.737 121.071 120.200 0.223 0.000 2.146 482 E HA 0.534 4.884 4.350 -0.000 0.000 0.282 482 E C 0.422 177.049 176.600 0.046 0.000 0.989 482 E CA -0.832 55.652 56.400 0.141 0.000 0.799 482 E CB 0.474 30.216 29.700 0.070 0.000 1.088 482 E HN 0.269 nan 8.360 nan 0.000 0.397 483 K N 5.976 126.296 120.400 -0.134 0.000 2.412 483 K HA 0.114 4.433 4.320 -0.000 0.000 0.284 483 K C -0.578 175.857 176.600 -0.275 0.000 1.046 483 K CA 0.303 56.254 56.287 -0.560 0.000 0.999 483 K CB 0.259 32.384 32.500 -0.625 0.000 0.941 483 K HN 0.595 nan 8.250 nan 0.000 0.474 484 M N 1.935 121.419 119.600 -0.193 0.000 2.413 484 M HA 0.339 4.818 4.480 -0.000 0.000 0.287 484 M C -0.064 176.263 176.300 0.046 0.000 1.186 484 M CA -0.895 54.368 55.300 -0.062 0.000 0.927 484 M CB 2.016 34.606 32.600 -0.017 0.000 1.715 484 M HN 0.419 nan 8.290 nan 0.000 0.478 485 E N 1.948 122.165 120.200 0.029 0.000 2.038 485 E HA -0.033 4.317 4.350 -0.000 0.000 0.195 485 E C -0.184 176.531 176.600 0.192 0.000 1.000 485 E CA 1.538 57.986 56.400 0.079 0.000 0.803 485 E CB 0.308 30.025 29.700 0.028 0.000 0.750 485 E HN 0.598 nan 8.360 nan 0.000 0.448 486 K N -0.040 120.449 120.400 0.148 0.000 2.435 486 K HA 0.362 4.682 4.320 -0.000 0.000 0.251 486 K C -0.217 176.323 176.600 -0.100 0.000 0.954 486 K CA -0.741 55.617 56.287 0.119 0.000 0.820 486 K CB 1.924 34.458 32.500 0.057 0.000 1.292 486 K HN -0.057 nan 8.250 nan 0.000 0.436 487 L N 2.685 123.676 121.223 -0.386 0.000 2.483 487 L HA 0.085 4.425 4.340 -0.000 0.000 0.275 487 L C -1.767 174.990 176.870 -0.190 0.000 1.220 487 L CA -1.182 53.380 54.840 -0.463 0.000 0.833 487 L CB 0.334 42.078 42.059 -0.524 0.000 1.102 487 L HN 0.416 nan 8.230 nan 0.000 0.490 488 P HA 0.293 nan 4.420 nan 0.000 0.224 488 P C -1.869 175.400 177.300 -0.052 0.000 1.784 488 P CA -0.500 62.559 63.100 -0.070 0.000 1.198 488 P CB 0.666 32.339 31.700 -0.045 0.000 1.654 489 D N 0.000 120.371 120.400 -0.048 0.000 6.856 489 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 489 D CA 0.000 53.983 54.000 -0.028 0.000 0.868 489 D CB 0.000 40.784 40.800 -0.027 0.000 0.688 489 D HN 0.000 nan 8.370 nan 0.000 0.683