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 2h88_1_A DATA FIRST_RESID 10 DATA SEQUENCE TQYPVVDHEF DAVVVGAGGA GLRAAFGLSE AGFNTACVTK LFPTRSHTVA DATA SEQUENCE AQGGINAALG NMEDDNWRWH FYDTVKGSDW LGDQDAIHYM TEQAPAAVIE DATA SEQUENCE LENYGMPFSR TEEGKIYQRA FGGQSLQFGK GGQAHRCCCV ADRTGHSLLH DATA SEQUENCE TLYGRSLRYD TSYFVEYFAL DLLMENGECR GVIALCIEDG TIHRFRAKNT DATA SEQUENCE VIATGGYGRT YFSCTSAHTS TGDGTAMVTR AGLPCQDLEF VQFHPTGIYG DATA SEQUENCE AGCLITEGCR GEGGILINSQ GERFMERYAP VAKDLASRDV VSRSMTIEIR DATA SEQUENCE EGRGCGPEKD HVYLQLHHLP PQQLATRLPG ISETAMIFAG VDVTKEPIPV DATA SEQUENCE LPTVHYNMGG IPTNYKGQVI THVNGEDKVV PGLYACGEAA SASVHGANRL DATA SEQUENCE GANSLLDLVV FGRACALTIA ETCKPGEPVP SIKPNAGEES VANLDKLRFA DATA SEQUENCE DGTIRTSEAR LNMQKTMQSH AAVFRTGSIL QEGCEKLSQI YRDLAHLKTF DATA SEQUENCE DRGIVWNTDL VETLELQNLM LCALQTIYGA EARKESRGAH AREDYKLRID DATA SEQUENCE EFDYSKPLQG QQKRPFEEHW RKHTLSYVDV KSGKVTLKYR PVIDRTLNEE DATA SEQUENCE DCSSVPPAIR SY 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.706 174.700 0.009 0.000 1.109 10 T CA 0.000 62.118 62.100 0.030 0.000 1.349 10 T CB 0.000 68.873 68.868 0.009 0.000 0.612 11 Q N 0.231 120.042 119.800 0.019 0.000 2.245 11 Q HA 0.165 4.504 4.340 -0.001 0.000 0.201 11 Q C -0.592 175.243 176.000 -0.275 0.000 0.955 11 Q CA 0.832 56.562 55.803 -0.122 0.000 0.870 11 Q CB 0.032 28.700 28.738 -0.116 0.000 0.945 11 Q HN 0.646 nan 8.270 nan 0.000 0.461 12 Y N 1.427 121.736 120.300 0.014 0.000 2.338 12 Y HA 0.294 4.843 4.550 -0.001 0.000 0.328 12 Y C -2.068 173.824 175.900 -0.012 0.000 0.965 12 Y CA -3.088 55.016 58.100 0.008 0.000 1.208 12 Y CB 1.014 39.483 38.460 0.014 0.000 1.132 12 Y HN -0.002 nan 8.280 nan 0.000 0.469 13 P HA 0.128 nan 4.420 nan 0.000 0.271 13 P C -0.636 176.664 177.300 0.001 0.000 1.220 13 P CA 0.012 63.127 63.100 0.025 0.000 0.768 13 P CB 1.735 33.434 31.700 -0.002 0.000 0.848 14 V N 4.298 124.192 119.914 -0.033 0.000 2.472 14 V HA 0.215 4.334 4.120 -0.001 0.000 0.290 14 V C 0.444 176.439 176.094 -0.166 0.000 1.037 14 V CA -0.655 61.591 62.300 -0.089 0.000 0.908 14 V CB 1.956 33.748 31.823 -0.052 0.000 0.985 14 V HN 0.311 nan 8.190 nan 0.000 0.454 15 V N 3.933 123.667 119.914 -0.301 0.000 2.398 15 V HA 0.448 4.567 4.120 -0.001 0.000 0.286 15 V C -0.504 175.363 176.094 -0.378 0.000 1.026 15 V CA -0.667 61.416 62.300 -0.361 0.000 0.868 15 V CB 1.696 33.223 31.823 -0.494 0.000 0.982 15 V HN 0.815 nan 8.190 nan 0.000 0.443 16 D N 2.732 122.920 120.400 -0.352 0.000 2.163 16 D HA 0.518 5.157 4.640 -0.001 0.000 0.248 16 D C -0.421 175.606 176.300 -0.454 0.000 1.035 16 D CA -0.183 53.637 54.000 -0.299 0.000 0.872 16 D CB 1.118 41.824 40.800 -0.156 0.000 1.183 16 D HN 0.556 nan 8.370 nan 0.000 0.445 17 H N 0.625 119.590 119.070 -0.176 0.000 2.768 17 H HA 0.392 4.947 4.556 -0.001 0.000 0.371 17 H C -0.506 174.791 175.328 -0.052 0.000 1.151 17 H CA -0.532 55.451 56.048 -0.108 0.000 1.165 17 H CB 2.127 31.853 29.762 -0.061 0.000 1.722 17 H HN 0.294 nan 8.280 nan 0.000 0.543 18 E N 2.060 122.220 120.200 -0.066 0.000 2.199 18 E HA 0.404 4.753 4.350 -0.001 0.000 0.265 18 E C -1.177 175.238 176.600 -0.308 0.000 0.882 18 E CA -0.388 55.967 56.400 -0.075 0.000 0.759 18 E CB 1.894 31.539 29.700 -0.091 0.000 1.148 18 E HN 0.270 nan 8.360 nan 0.000 0.412 19 F N 0.514 120.527 119.950 0.105 0.000 2.629 19 F HA 0.213 4.739 4.527 -0.001 0.000 0.316 19 F C 1.040 176.895 175.800 0.092 0.000 1.081 19 F CA -0.714 57.348 58.000 0.104 0.000 0.954 19 F CB 1.683 40.747 39.000 0.107 0.000 1.337 19 F HN 0.359 nan 8.300 nan 0.000 0.474 20 D N 0.711 121.302 120.400 0.318 0.000 2.123 20 D HA 0.168 4.807 4.640 -0.001 0.000 0.200 20 D C 0.177 176.608 176.300 0.218 0.000 0.976 20 D CA 1.158 55.319 54.000 0.268 0.000 0.831 20 D CB 0.232 41.257 40.800 0.376 0.000 0.974 20 D HN 0.403 nan 8.370 nan 0.000 0.469 21 A N -0.143 122.791 122.820 0.189 0.000 2.549 21 A HA 0.558 4.878 4.320 -0.001 0.000 0.297 21 A C -1.466 176.085 177.584 -0.056 0.000 1.061 21 A CA -0.596 51.453 52.037 0.021 0.000 0.690 21 A CB 2.280 21.208 19.000 -0.121 0.000 1.287 21 A HN -0.056 nan 8.150 nan 0.000 0.402 22 V N 2.155 121.997 119.914 -0.119 0.000 2.588 22 V HA 0.722 4.842 4.120 -0.001 0.000 0.304 22 V C -1.279 174.667 176.094 -0.247 0.000 1.042 22 V CA -0.427 61.726 62.300 -0.246 0.000 0.877 22 V CB 1.669 33.353 31.823 -0.232 0.000 0.996 22 V HN 0.888 nan 8.190 nan 0.000 0.425 23 V N 6.957 126.689 119.914 -0.304 0.000 2.417 23 V HA 0.488 4.607 4.120 -0.001 0.000 0.291 23 V C -0.218 175.718 176.094 -0.263 0.000 1.024 23 V CA -0.555 61.598 62.300 -0.245 0.000 0.861 23 V CB 1.907 33.590 31.823 -0.233 0.000 0.985 23 V HN 0.703 nan 8.190 nan 0.000 0.436 24 V N 4.255 124.044 119.914 -0.209 0.000 2.318 24 V HA 0.897 5.016 4.120 -0.001 0.000 0.271 24 V C 0.545 176.548 176.094 -0.152 0.000 1.030 24 V CA 0.320 62.496 62.300 -0.207 0.000 0.844 24 V CB 0.583 32.290 31.823 -0.194 0.000 1.015 24 V HN 1.257 nan 8.190 nan 0.000 0.460 25 G N 3.894 112.613 108.800 -0.135 0.000 2.653 25 G HA2 0.451 4.411 3.960 -0.001 0.000 0.656 25 G HA3 0.451 4.411 3.960 -0.001 0.000 0.656 25 G C -0.408 174.457 174.900 -0.058 0.000 1.419 25 G CA -0.156 44.891 45.100 -0.088 0.000 0.862 25 G HN 1.332 nan 8.290 nan 0.000 0.639 26 A N 0.902 123.701 122.820 -0.035 0.000 2.610 26 A HA 0.804 5.123 4.320 -0.001 0.000 0.290 26 A C 1.171 178.736 177.584 -0.032 0.000 1.001 26 A CA 1.124 53.157 52.037 -0.006 0.000 1.004 26 A CB -0.074 18.928 19.000 0.003 0.000 1.220 26 A HN 2.103 nan 8.150 nan 0.000 0.507 27 G N -0.790 107.997 108.800 -0.022 0.000 2.494 27 G HA2 0.413 4.372 3.960 -0.001 0.000 0.270 27 G HA3 0.413 4.372 3.960 -0.001 0.000 0.270 27 G C 1.152 176.053 174.900 0.002 0.000 1.423 27 G CA 0.198 45.290 45.100 -0.014 0.000 1.055 27 G HN 0.572 nan 8.290 nan 0.000 0.536 28 G N -0.408 108.402 108.800 0.016 0.000 2.422 28 G HA2 0.060 4.019 3.960 -0.001 0.000 0.218 28 G HA3 0.060 4.019 3.960 -0.001 0.000 0.218 28 G C 1.889 176.801 174.900 0.020 0.000 1.146 28 G CA 1.846 46.965 45.100 0.031 0.000 0.769 28 G HN 0.863 nan 8.290 nan 0.000 0.547 29 A N 0.845 123.678 122.820 0.022 0.000 1.872 29 A HA 0.240 4.559 4.320 -0.001 0.000 0.214 29 A C 2.724 180.282 177.584 -0.042 0.000 1.187 29 A CA 1.947 53.989 52.037 0.008 0.000 0.614 29 A CB -1.088 17.936 19.000 0.040 0.000 0.826 29 A HN 0.489 nan 8.150 nan 0.000 0.442 30 G N -0.055 108.723 108.800 -0.038 0.000 2.440 30 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.218 30 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.218 30 G C 1.570 176.430 174.900 -0.067 0.000 1.154 30 G CA 1.090 46.152 45.100 -0.063 0.000 0.767 30 G HN 0.412 nan 8.290 nan 0.000 0.552 31 L N -0.306 120.910 121.223 -0.012 0.000 2.046 31 L HA -0.038 4.301 4.340 -0.001 0.000 0.208 31 L C 2.927 179.671 176.870 -0.209 0.000 1.077 31 L CA 1.280 56.149 54.840 0.048 0.000 0.747 31 L CB -0.312 41.844 42.059 0.161 0.000 0.896 31 L HN 0.155 nan 8.230 nan 0.000 0.432 32 R N 0.590 120.910 120.500 -0.300 0.000 2.081 32 R HA -0.113 4.226 4.340 -0.001 0.000 0.235 32 R C 2.198 178.124 176.300 -0.622 0.000 1.131 32 R CA 1.643 57.355 56.100 -0.646 0.000 0.960 32 R CB -0.572 29.548 30.300 -0.301 0.000 0.856 32 R HN 0.318 nan 8.270 nan 0.000 0.436 33 A N 0.123 122.735 122.820 -0.346 0.000 1.873 33 A HA -0.003 4.317 4.320 -0.001 0.000 0.215 33 A C 2.363 179.756 177.584 -0.318 0.000 1.186 33 A CA 1.700 53.558 52.037 -0.299 0.000 0.616 33 A CB -1.069 17.806 19.000 -0.209 0.000 0.823 33 A HN 0.470 nan 8.150 nan 0.000 0.442 34 A N -0.031 122.632 122.820 -0.261 0.000 1.877 34 A HA 0.008 4.327 4.320 -0.001 0.000 0.216 34 A C 1.987 179.484 177.584 -0.145 0.000 1.186 34 A CA 1.706 53.629 52.037 -0.192 0.000 0.620 34 A CB -0.921 18.000 19.000 -0.132 0.000 0.822 34 A HN 1.067 nan 8.150 nan 0.000 0.443 35 F N 0.081 119.929 119.950 -0.170 0.000 2.558 35 F HA 0.254 4.781 4.527 -0.001 0.000 0.298 35 F C 1.908 177.431 175.800 -0.462 0.000 1.119 35 F CA 0.400 58.179 58.000 -0.368 0.000 1.451 35 F CB -1.137 37.613 39.000 -0.417 0.000 1.091 35 F HN 0.081 nan 8.300 nan 0.000 0.563 36 G N 1.765 110.275 108.800 -0.483 0.000 2.418 36 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.217 36 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.217 36 G C 1.704 176.498 174.900 -0.177 0.000 1.158 36 G CA 1.143 46.056 45.100 -0.311 0.000 0.771 36 G HN 0.459 nan 8.290 nan 0.000 0.545 37 L N 0.708 121.818 121.223 -0.189 0.000 2.056 37 L HA -0.065 4.274 4.340 -0.001 0.000 0.207 37 L C 3.212 180.132 176.870 0.084 0.000 1.078 37 L CA 1.252 56.030 54.840 -0.103 0.000 0.749 37 L CB -0.323 41.613 42.059 -0.204 0.000 0.901 37 L HN 0.158 nan 8.230 nan 0.000 0.433 38 S N -0.190 115.516 115.700 0.010 0.000 2.382 38 S HA -0.212 4.257 4.470 -0.001 0.000 0.228 38 S C 1.756 176.410 174.600 0.090 0.000 1.027 38 S CA 1.607 59.853 58.200 0.077 0.000 0.991 38 S CB -0.334 62.914 63.200 0.080 0.000 0.823 38 S HN 0.605 nan 8.310 nan 0.000 0.469 39 E N 1.396 121.560 120.200 -0.060 0.000 2.338 39 E HA 0.021 4.370 4.350 -0.001 0.000 0.197 39 E C 1.476 178.153 176.600 0.129 0.000 1.007 39 E CA 0.912 57.359 56.400 0.078 0.000 0.849 39 E CB -0.171 29.531 29.700 0.002 0.000 0.774 39 E HN 0.464 nan 8.360 nan 0.000 0.506 40 A N 0.718 123.622 122.820 0.140 0.000 2.307 40 A HA 0.445 4.764 4.320 -0.001 0.000 0.218 40 A C 1.717 179.374 177.584 0.122 0.000 1.228 40 A CA 0.439 52.586 52.037 0.184 0.000 0.857 40 A CB -0.204 18.973 19.000 0.296 0.000 0.897 40 A HN 0.503 nan 8.150 nan 0.000 0.495 41 G N -1.707 107.148 108.800 0.092 0.000 2.175 41 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.244 41 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.244 41 G C -0.062 174.761 174.900 -0.128 0.000 0.982 41 G CA 0.051 45.125 45.100 -0.043 0.000 0.641 41 G HN 0.320 nan 8.290 nan 0.000 0.527 42 F N 1.173 121.135 119.950 0.020 0.000 2.412 42 F HA 0.499 5.026 4.527 -0.001 0.000 0.348 42 F C 0.761 176.598 175.800 0.060 0.000 1.102 42 F CA -1.068 56.948 58.000 0.026 0.000 1.196 42 F CB 0.938 39.934 39.000 -0.006 0.000 1.144 42 F HN 0.055 nan 8.300 nan 0.000 0.541 43 N N 2.200 121.040 118.700 0.234 0.000 2.399 43 N HA 0.113 4.852 4.740 -0.001 0.000 0.259 43 N C -1.017 174.719 175.510 0.378 0.000 1.160 43 N CA 0.184 53.394 53.050 0.266 0.000 0.946 43 N CB 0.255 38.866 38.487 0.207 0.000 1.156 43 N HN 0.555 nan 8.380 nan 0.000 0.489 44 T N 1.923 116.631 114.554 0.258 0.000 2.856 44 T HA 0.754 5.104 4.350 -0.001 0.000 0.283 44 T C -0.555 173.977 174.700 -0.279 0.000 1.008 44 T CA -0.672 61.452 62.100 0.040 0.000 0.997 44 T CB 1.527 70.371 68.868 -0.041 0.000 0.992 44 T HN 0.558 nan 8.240 nan 0.000 0.454 45 A N 0.958 123.396 122.820 -0.637 0.000 2.337 45 A HA 0.678 4.998 4.320 -0.001 0.000 0.329 45 A C -0.307 176.906 177.584 -0.618 0.000 1.146 45 A CA -0.700 50.836 52.037 -0.835 0.000 0.800 45 A CB 0.842 19.000 19.000 -1.404 0.000 1.220 45 A HN 0.963 nan 8.150 nan 0.000 0.472 46 C N 3.392 122.318 119.300 -0.624 0.000 2.316 46 C HA 0.648 5.107 4.460 -0.001 0.000 0.324 46 C C -0.577 174.173 174.990 -0.399 0.000 1.226 46 C CA -0.295 58.397 59.018 -0.544 0.000 1.450 46 C CB -0.703 26.602 27.740 -0.726 0.000 2.123 46 C HN 0.658 nan 8.230 nan 0.000 0.454 47 V N 6.058 125.717 119.914 -0.425 0.000 2.370 47 V HA 0.680 4.799 4.120 -0.001 0.000 0.279 47 V C 0.466 176.440 176.094 -0.199 0.000 1.029 47 V CA 0.130 62.188 62.300 -0.404 0.000 0.870 47 V CB 1.575 32.990 31.823 -0.680 0.000 0.984 47 V HN 0.931 nan 8.190 nan 0.000 0.451 48 T N 3.533 118.045 114.554 -0.070 0.000 2.952 48 T HA 0.347 4.696 4.350 -0.001 0.000 0.305 48 T C 0.645 175.380 174.700 0.059 0.000 1.064 48 T CA -0.624 61.463 62.100 -0.021 0.000 1.008 48 T CB 1.621 70.485 68.868 -0.007 0.000 1.078 48 T HN 0.817 nan 8.240 nan 0.000 0.459 49 K N 3.698 124.123 120.400 0.041 0.000 2.432 49 K HA 0.263 4.583 4.320 -0.001 0.000 0.196 49 K C 0.332 177.011 176.600 0.132 0.000 1.038 49 K CA 0.435 56.789 56.287 0.111 0.000 0.986 49 K CB -0.016 32.562 32.500 0.130 0.000 0.782 49 K HN 0.446 nan 8.250 nan 0.000 0.485 50 L N 0.822 122.111 121.223 0.110 0.000 2.323 50 L HA 0.409 4.748 4.340 -0.001 0.000 0.265 50 L C -0.296 176.648 176.870 0.123 0.000 1.012 50 L CA -1.613 53.313 54.840 0.144 0.000 0.820 50 L CB 1.082 43.206 42.059 0.108 0.000 1.334 50 L HN -0.096 nan 8.230 nan 0.000 0.427 51 F N 3.090 123.070 119.950 0.050 0.000 2.602 51 F HA 0.118 4.644 4.527 -0.000 0.000 0.367 51 F C -1.534 174.199 175.800 -0.111 0.000 1.126 51 F CA -1.115 56.868 58.000 -0.030 0.000 1.321 51 F CB 0.683 39.654 39.000 -0.047 0.000 1.094 51 F HN 0.316 nan 8.300 nan 0.000 0.594 52 P HA -0.225 nan 4.420 nan 0.000 0.216 52 P C 1.356 178.339 177.300 -0.527 0.000 1.154 52 P CA 2.865 65.547 63.100 -0.697 0.000 0.865 52 P CB -0.262 30.993 31.700 -0.742 0.000 0.789 53 T N -3.881 110.276 114.554 -0.663 0.000 3.160 53 T HA 0.042 4.391 4.350 -0.001 0.000 0.257 53 T C 1.361 175.990 174.700 -0.119 0.000 1.147 53 T CA 0.289 62.145 62.100 -0.408 0.000 1.064 53 T CB -0.524 68.031 68.868 -0.522 0.000 0.949 53 T HN -0.025 nan 8.240 nan 0.000 0.526 54 R N 1.225 121.721 120.500 -0.007 0.000 2.317 54 R HA 0.335 4.674 4.340 -0.001 0.000 0.208 54 R C 0.728 177.058 176.300 0.050 0.000 0.914 54 R CA -0.080 56.064 56.100 0.073 0.000 1.060 54 R CB -0.373 30.011 30.300 0.140 0.000 1.015 54 R HN 0.368 nan 8.270 nan 0.000 0.498 55 S N 0.905 116.604 115.700 -0.003 0.000 2.569 55 S HA -0.063 4.407 4.470 -0.001 0.000 0.274 55 S C 1.172 175.809 174.600 0.062 0.000 1.353 55 S CA -0.194 58.021 58.200 0.026 0.000 1.023 55 S CB 0.633 63.824 63.200 -0.016 0.000 0.876 55 S HN 0.377 nan 8.310 nan 0.000 0.540 56 H N 1.921 120.991 119.070 0.001 0.000 2.457 56 H HA -0.081 4.474 4.556 -0.001 0.000 0.297 56 H C 1.888 177.221 175.328 0.009 0.000 1.092 56 H CA 2.226 58.276 56.048 0.002 0.000 1.309 56 H CB -0.519 29.233 29.762 -0.016 0.000 1.382 56 H HN 0.620 nan 8.280 nan 0.000 0.535 57 T N -0.734 113.804 114.554 -0.028 0.000 2.737 57 T HA -0.191 4.158 4.350 -0.001 0.000 0.269 57 T C 2.162 176.812 174.700 -0.084 0.000 1.040 57 T CA 1.270 63.336 62.100 -0.057 0.000 1.142 57 T CB -0.676 68.186 68.868 -0.010 0.000 0.861 57 T HN 0.246 nan 8.240 nan 0.000 0.456 58 V N 1.149 121.022 119.914 -0.069 0.000 2.720 58 V HA -0.073 4.047 4.120 -0.001 0.000 0.256 58 V C 2.335 178.436 176.094 0.011 0.000 1.082 58 V CA 1.665 63.961 62.300 -0.006 0.000 1.101 58 V CB -0.690 31.143 31.823 0.016 0.000 0.693 58 V HN 0.541 nan 8.190 nan 0.000 0.479 59 A N -0.575 122.164 122.820 -0.135 0.000 2.251 59 A HA 0.591 4.910 4.320 -0.001 0.000 0.209 59 A C 1.270 178.777 177.584 -0.128 0.000 1.187 59 A CA 0.631 52.575 52.037 -0.156 0.000 0.823 59 A CB -0.405 18.411 19.000 -0.306 0.000 0.846 59 A HN 0.700 nan 8.150 nan 0.000 0.486 60 A N -0.469 122.287 122.820 -0.107 0.000 2.462 60 A HA 0.436 4.756 4.320 -0.001 0.000 0.243 60 A C 0.751 178.354 177.584 0.032 0.000 1.076 60 A CA 0.152 52.174 52.037 -0.025 0.000 0.773 60 A CB 0.286 19.280 19.000 -0.009 0.000 1.010 60 A HN 0.575 nan 8.150 nan 0.000 0.493 61 Q N 1.847 121.689 119.800 0.070 0.000 2.642 61 Q HA 0.123 4.462 4.340 -0.001 0.000 0.202 61 Q C 2.157 178.231 176.000 0.124 0.000 0.845 61 Q CA 0.520 56.378 55.803 0.092 0.000 0.873 61 Q CB -0.088 28.706 28.738 0.094 0.000 1.190 61 Q HN 0.878 nan 8.270 nan 0.000 0.642 62 G N 0.613 109.534 108.800 0.202 0.000 2.476 62 G HA2 0.124 4.084 3.960 -0.001 0.000 0.218 62 G HA3 0.124 4.084 3.960 -0.001 0.000 0.218 62 G C 0.623 175.501 174.900 -0.036 0.000 1.164 62 G CA 1.039 46.296 45.100 0.261 0.000 0.768 62 G HN 0.539 nan 8.290 nan 0.000 0.560 63 G N -1.421 107.293 108.800 -0.143 0.000 2.350 63 G HA2 0.309 4.269 3.960 -0.001 0.000 0.282 63 G HA3 0.309 4.269 3.960 -0.001 0.000 0.282 63 G C -1.698 173.105 174.900 -0.162 0.000 1.314 63 G CA -0.274 44.742 45.100 -0.140 0.000 0.915 63 G HN 0.797 nan 8.290 nan 0.000 0.499 64 I N 0.465 120.985 120.570 -0.083 0.000 2.569 64 I HA 0.473 4.642 4.170 -0.001 0.000 0.290 64 I C -1.053 175.014 176.117 -0.084 0.000 1.088 64 I CA -1.118 60.155 61.300 -0.044 0.000 1.047 64 I CB 1.787 39.832 38.000 0.075 0.000 1.237 64 I HN 0.465 nan 8.210 nan 0.000 0.421 65 N N 6.211 124.857 118.700 -0.089 0.000 2.514 65 N HA 0.688 5.427 4.740 -0.001 0.000 0.277 65 N C -0.840 174.634 175.510 -0.061 0.000 1.126 65 N CA -0.189 52.774 53.050 -0.146 0.000 0.978 65 N CB 1.823 40.176 38.487 -0.223 0.000 1.106 65 N HN 0.702 nan 8.380 nan 0.000 0.461 66 A N 0.349 123.088 122.820 -0.135 0.000 2.532 66 A HA 0.605 4.924 4.320 -0.001 0.000 0.296 66 A C -0.713 176.829 177.584 -0.069 0.000 1.058 66 A CA -0.779 51.236 52.037 -0.038 0.000 0.729 66 A CB 0.683 19.648 19.000 -0.058 0.000 1.285 66 A HN 0.575 nan 8.150 nan 0.000 0.396 67 A N 2.486 125.318 122.820 0.020 0.000 3.048 67 A HA 0.474 4.794 4.320 -0.001 0.000 0.264 67 A C 0.826 178.394 177.584 -0.027 0.000 1.796 67 A CA -0.088 51.949 52.037 0.001 0.000 1.445 67 A CB -1.099 17.942 19.000 0.069 0.000 1.074 67 A HN 0.881 nan 8.150 nan 0.000 0.621 68 L N 0.687 121.873 121.223 -0.063 0.000 2.240 68 L HA 0.085 4.425 4.340 -0.001 0.000 0.211 68 L C 1.861 178.694 176.870 -0.062 0.000 1.106 68 L CA 0.819 55.615 54.840 -0.074 0.000 0.793 68 L CB -0.279 41.713 42.059 -0.111 0.000 0.927 68 L HN 0.778 nan 8.230 nan 0.000 0.446 69 G N 0.472 109.240 108.800 -0.053 0.000 2.198 69 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.257 69 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.257 69 G C 0.520 175.401 174.900 -0.033 0.000 1.042 69 G CA 0.461 45.539 45.100 -0.037 0.000 0.791 69 G HN 0.341 nan 8.290 nan 0.000 0.502 70 N N -0.442 118.231 118.700 -0.045 0.000 2.416 70 N HA 0.069 4.809 4.740 -0.001 0.000 0.177 70 N C 2.192 177.687 175.510 -0.025 0.000 1.036 70 N CA 1.248 54.275 53.050 -0.039 0.000 0.901 70 N CB -0.080 38.375 38.487 -0.054 0.000 0.976 70 N HN 0.473 nan 8.380 nan 0.000 0.444 71 M N -0.067 119.517 119.600 -0.027 0.000 2.615 71 M HA 0.183 4.663 4.480 -0.001 0.000 0.262 71 M C 0.483 176.771 176.300 -0.020 0.000 1.198 71 M CA 0.650 55.931 55.300 -0.032 0.000 1.165 71 M CB -0.063 32.501 32.600 -0.059 0.000 1.310 71 M HN 0.099 nan 8.290 nan 0.000 0.494 72 E N -0.004 120.203 120.200 0.013 0.000 2.429 72 E HA 0.256 4.606 4.350 -0.001 0.000 0.280 72 E C -1.774 174.857 176.600 0.052 0.000 1.068 72 E CA -0.537 55.886 56.400 0.037 0.000 0.837 72 E CB 1.020 30.760 29.700 0.067 0.000 1.357 72 E HN -0.125 nan 8.360 nan 0.000 0.455 73 D N 0.638 121.078 120.400 0.067 0.000 2.443 73 D HA 0.319 4.958 4.640 -0.001 0.000 0.239 73 D C -0.747 175.610 176.300 0.094 0.000 1.136 73 D CA 1.069 55.100 54.000 0.052 0.000 0.879 73 D CB 0.596 41.431 40.800 0.059 0.000 1.195 73 D HN 0.303 nan 8.370 nan 0.000 0.443 74 D N 0.464 120.823 120.400 -0.067 0.000 2.636 74 D HA 0.429 5.068 4.640 -0.001 0.000 0.275 74 D C -1.463 174.460 176.300 -0.628 0.000 1.130 74 D CA -0.675 53.220 54.000 -0.175 0.000 1.031 74 D CB 1.400 42.177 40.800 -0.038 0.000 1.451 74 D HN 0.207 nan 8.370 nan 0.000 0.505 75 N N 0.899 119.090 118.700 -0.849 0.000 2.406 75 N HA 0.055 4.794 4.740 -0.001 0.000 0.283 75 N C 0.792 175.988 175.510 -0.523 0.000 1.074 75 N CA -0.584 51.883 53.050 -0.972 0.000 0.916 75 N CB 0.917 38.224 38.487 -1.968 0.000 1.639 75 N HN 0.638 nan 8.380 nan 0.000 0.485 76 W N 4.292 125.435 121.300 -0.263 0.000 2.392 76 W HA -0.037 4.623 4.660 -0.001 0.000 0.279 76 W C 0.559 177.078 176.519 -0.000 0.000 1.225 76 W CA 0.281 57.589 57.345 -0.061 0.000 1.233 76 W CB -0.344 29.087 29.460 -0.048 0.000 1.122 76 W HN 0.439 nan 8.180 nan 0.000 0.561 77 R N -0.579 119.425 120.500 -0.826 0.000 2.237 77 R HA -0.107 4.233 4.340 -0.001 0.000 0.219 77 R C 1.936 178.244 176.300 0.013 0.000 1.080 77 R CA 1.637 57.399 56.100 -0.564 0.000 0.995 77 R CB -0.585 29.285 30.300 -0.717 0.000 0.875 77 R HN 0.106 nan 8.270 nan 0.000 0.462 78 W N 0.014 121.129 121.300 -0.308 0.000 2.476 78 W HA -0.016 4.643 4.660 -0.001 0.000 0.281 78 W C 2.030 178.610 176.519 0.102 0.000 1.230 78 W CA 0.476 57.629 57.345 -0.319 0.000 1.287 78 W CB -1.079 28.169 29.460 -0.354 0.000 1.108 78 W HN 0.302 nan 8.180 nan 0.000 0.567 79 H N -1.304 117.923 119.070 0.262 0.000 2.357 79 H HA -0.218 4.337 4.556 -0.001 0.000 0.301 79 H C 2.272 177.755 175.328 0.259 0.000 1.082 79 H CA 1.649 57.836 56.048 0.232 0.000 1.342 79 H CB -0.476 29.414 29.762 0.213 0.000 1.389 79 H HN 0.003 nan 8.280 nan 0.000 0.511 80 F N 0.869 120.958 119.950 0.233 0.000 2.065 80 F HA -0.332 4.195 4.527 -0.001 0.000 0.298 80 F C 2.373 178.281 175.800 0.179 0.000 1.112 80 F CA 2.028 60.131 58.000 0.171 0.000 1.212 80 F CB -0.998 38.149 39.000 0.246 0.000 0.975 80 F HN 0.236 nan 8.300 nan 0.000 0.476 81 Y N 1.458 121.860 120.300 0.170 0.000 2.145 81 Y HA -0.241 4.309 4.550 -0.001 0.000 0.286 81 Y C 2.288 178.166 175.900 -0.036 0.000 1.145 81 Y CA 2.162 60.308 58.100 0.076 0.000 1.148 81 Y CB -0.835 37.869 38.460 0.406 0.000 0.981 81 Y HN 0.120 nan 8.280 nan 0.000 0.507 82 D N -0.722 119.738 120.400 0.100 0.000 2.149 82 D HA -0.169 4.470 4.640 -0.001 0.000 0.198 82 D C 2.083 178.307 176.300 -0.127 0.000 0.990 82 D CA 2.000 56.010 54.000 0.017 0.000 0.839 82 D CB -0.474 40.437 40.800 0.184 0.000 0.948 82 D HN 0.406 nan 8.370 nan 0.000 0.460 83 T N 0.465 114.947 114.554 -0.121 0.000 2.777 83 T HA -0.059 4.290 4.350 -0.001 0.000 0.266 83 T C 2.288 176.768 174.700 -0.367 0.000 1.040 83 T CA 0.555 62.556 62.100 -0.166 0.000 1.141 83 T CB -0.191 68.605 68.868 -0.120 0.000 0.868 83 T HN -0.023 nan 8.240 nan 0.000 0.444 84 V N 1.664 121.219 119.914 -0.599 0.000 2.307 84 V HA -0.146 3.973 4.120 -0.001 0.000 0.245 84 V C 2.517 177.958 176.094 -1.088 0.000 1.045 84 V CA 1.635 63.459 62.300 -0.794 0.000 1.024 84 V CB -0.515 30.785 31.823 -0.872 0.000 0.651 84 V HN 0.427 nan 8.190 nan 0.000 0.449 85 K N 0.353 120.102 120.400 -1.085 0.000 2.057 85 K HA -0.145 4.175 4.320 -0.001 0.000 0.207 85 K C 2.158 178.408 176.600 -0.584 0.000 1.049 85 K CA 1.636 57.240 56.287 -1.139 0.000 0.931 85 K CB -0.613 31.450 32.500 -0.728 0.000 0.714 85 K HN 0.480 nan 8.250 nan 0.000 0.440 86 G N 0.542 109.149 108.800 -0.321 0.000 2.442 86 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.219 86 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.219 86 G C 1.432 176.241 174.900 -0.151 0.000 1.141 86 G CA 1.170 46.208 45.100 -0.104 0.000 0.763 86 G HN 0.511 nan 8.290 nan 0.000 0.554 87 S N -0.143 115.396 115.700 -0.269 0.000 2.603 87 S HA 0.018 4.487 4.470 -0.001 0.000 0.229 87 S C 1.028 175.501 174.600 -0.212 0.000 0.972 87 S CA 0.992 59.062 58.200 -0.217 0.000 0.935 87 S CB -0.079 62.980 63.200 -0.236 0.000 0.769 87 S HN 0.305 nan 8.310 nan 0.000 0.536 88 D N 0.669 120.926 120.400 -0.239 0.000 2.751 88 D HA -0.199 4.440 4.640 -0.001 0.000 0.233 88 D C -0.429 175.972 176.300 0.167 0.000 1.149 88 D CA 1.038 55.050 54.000 0.020 0.000 0.682 88 D CB -1.949 38.923 40.800 0.121 0.000 1.068 88 D HN 0.717 nan 8.370 nan 0.000 0.429 89 W N -2.423 118.823 121.300 -0.089 0.000 4.551 89 W HA -0.315 4.345 4.660 -0.001 0.000 0.343 89 W C 1.166 177.633 176.519 -0.087 0.000 1.269 89 W CA 0.483 57.772 57.345 -0.094 0.000 0.799 89 W CB -1.998 27.396 29.460 -0.110 0.000 2.352 89 W HN 0.293 nan 8.180 nan 0.000 1.462 90 L N -0.072 121.122 121.223 -0.050 0.000 2.616 90 L HA 0.401 4.741 4.340 -0.001 0.000 0.229 90 L C 1.636 178.459 176.870 -0.079 0.000 1.110 90 L CA 1.305 56.074 54.840 -0.119 0.000 0.884 90 L CB -0.006 41.918 42.059 -0.225 0.000 1.115 90 L HN -0.039 nan 8.230 nan 0.000 0.481 91 G N -0.480 108.268 108.800 -0.087 0.000 2.467 91 G HA2 0.195 4.155 3.960 -0.001 0.000 0.257 91 G HA3 0.195 4.155 3.960 -0.001 0.000 0.257 91 G C -0.844 174.074 174.900 0.029 0.000 1.227 91 G CA -0.490 44.586 45.100 -0.039 0.000 0.835 91 G HN 0.093 nan 8.290 nan 0.000 0.556 92 D N 1.600 122.054 120.400 0.091 0.000 2.325 92 D HA 0.086 4.726 4.640 -0.001 0.000 0.251 92 D C 1.296 177.674 176.300 0.129 0.000 1.196 92 D CA 0.077 54.157 54.000 0.134 0.000 0.866 92 D CB 1.826 42.712 40.800 0.144 0.000 1.101 92 D HN 0.478 nan 8.370 nan 0.000 0.476 93 Q N 1.255 121.155 119.800 0.167 0.000 2.291 93 Q HA -0.139 4.200 4.340 -0.001 0.000 0.205 93 Q C 1.189 177.396 176.000 0.345 0.000 0.970 93 Q CA 0.879 56.849 55.803 0.278 0.000 0.876 93 Q CB 0.230 29.177 28.738 0.348 0.000 0.935 93 Q HN 0.504 nan 8.270 nan 0.000 0.455 94 D N 0.620 121.140 120.400 0.200 0.000 2.117 94 D HA -0.138 4.501 4.640 -0.001 0.000 0.198 94 D C 1.703 178.065 176.300 0.103 0.000 0.982 94 D CA 1.375 55.415 54.000 0.066 0.000 0.828 94 D CB -0.346 40.392 40.800 -0.104 0.000 0.967 94 D HN 0.161 nan 8.370 nan 0.000 0.464 95 A N 0.710 123.655 122.820 0.207 0.000 1.929 95 A HA 0.019 4.339 4.320 -0.001 0.000 0.216 95 A C 2.506 180.331 177.584 0.403 0.000 1.176 95 A CA 0.942 53.188 52.037 0.347 0.000 0.628 95 A CB -0.774 18.337 19.000 0.185 0.000 0.816 95 A HN 0.261 nan 8.150 nan 0.000 0.444 96 I N -1.227 119.525 120.570 0.303 0.000 2.286 96 I HA -0.280 3.890 4.170 -0.001 0.000 0.248 96 I C 2.464 178.877 176.117 0.493 0.000 1.115 96 I CA 1.726 63.202 61.300 0.292 0.000 1.392 96 I CB -0.541 37.527 38.000 0.113 0.000 1.065 96 I HN 0.610 nan 8.210 nan 0.000 0.418 97 H N 0.019 119.373 119.070 0.475 0.000 2.290 97 H HA -0.305 4.250 4.556 -0.001 0.000 0.298 97 H C 2.426 177.787 175.328 0.055 0.000 1.087 97 H CA 2.022 58.252 56.048 0.303 0.000 1.291 97 H CB -0.152 29.673 29.762 0.104 0.000 1.369 97 H HN 0.333 nan 8.280 nan 0.000 0.492 98 Y N 0.611 120.942 120.300 0.052 0.000 2.128 98 Y HA -0.311 4.238 4.550 -0.001 0.000 0.284 98 Y C 2.882 178.702 175.900 -0.134 0.000 1.154 98 Y CA 2.036 60.071 58.100 -0.108 0.000 1.149 98 Y CB -0.200 38.261 38.460 0.001 0.000 0.976 98 Y HN 0.274 nan 8.280 nan 0.000 0.505 99 M N -0.435 119.181 119.600 0.027 0.000 2.099 99 M HA -0.185 4.294 4.480 -0.001 0.000 0.262 99 M C 2.166 178.347 176.300 -0.199 0.000 1.067 99 M CA 2.384 57.598 55.300 -0.143 0.000 1.124 99 M CB -0.323 32.352 32.600 0.124 0.000 1.353 99 M HN 0.473 nan 8.290 nan 0.000 0.410 100 T N -2.387 112.099 114.554 -0.113 0.000 2.857 100 T HA -0.161 4.188 4.350 -0.001 0.000 0.266 100 T C 1.592 176.175 174.700 -0.196 0.000 1.048 100 T CA 1.508 63.532 62.100 -0.126 0.000 1.139 100 T CB -0.533 68.332 68.868 -0.006 0.000 0.874 100 T HN 0.605 nan 8.240 nan 0.000 0.455 101 E N 0.471 120.315 120.200 -0.594 0.000 2.106 101 E HA -0.156 4.193 4.350 -0.001 0.000 0.192 101 E C 2.166 178.302 176.600 -0.774 0.000 0.984 101 E CA 0.722 56.326 56.400 -1.327 0.000 0.806 101 E CB -0.019 28.660 29.700 -1.702 0.000 0.750 101 E HN 0.370 nan 8.360 nan 0.000 0.458 102 Q N -0.363 119.053 119.800 -0.639 0.000 2.451 102 Q HA 0.062 4.401 4.340 -0.001 0.000 0.206 102 Q C 1.774 177.573 176.000 -0.335 0.000 0.947 102 Q CA 0.767 56.247 55.803 -0.538 0.000 0.937 102 Q CB 0.370 28.654 28.738 -0.755 0.000 1.025 102 Q HN 0.344 nan 8.270 nan 0.000 0.511 103 A N 1.842 124.518 122.820 -0.240 0.000 1.902 103 A HA -0.116 4.203 4.320 -0.001 0.000 0.217 103 A C -0.430 177.097 177.584 -0.094 0.000 1.181 103 A CA 1.123 53.097 52.037 -0.104 0.000 0.623 103 A CB -1.371 17.667 19.000 0.062 0.000 0.818 103 A HN 0.254 nan 8.150 nan 0.000 0.443 104 P HA -0.115 nan 4.420 nan 0.000 0.215 104 P C 1.732 178.962 177.300 -0.116 0.000 1.153 104 P CA 1.958 65.001 63.100 -0.095 0.000 0.853 104 P CB -0.116 31.537 31.700 -0.078 0.000 0.788 105 A N -0.178 122.558 122.820 -0.139 0.000 1.930 105 A HA -0.070 4.250 4.320 -0.001 0.000 0.217 105 A C 2.288 179.796 177.584 -0.127 0.000 1.175 105 A CA 1.931 53.889 52.037 -0.132 0.000 0.627 105 A CB -1.536 17.375 19.000 -0.147 0.000 0.815 105 A HN 0.190 nan 8.150 nan 0.000 0.443 106 A N -0.651 122.091 122.820 -0.131 0.000 1.898 106 A HA 0.046 4.366 4.320 -0.001 0.000 0.216 106 A C 2.190 179.731 177.584 -0.071 0.000 1.181 106 A CA 1.696 53.671 52.037 -0.103 0.000 0.620 106 A CB -0.750 18.189 19.000 -0.101 0.000 0.819 106 A HN 0.356 nan 8.150 nan 0.000 0.442 107 V N 0.014 119.888 119.914 -0.068 0.000 2.453 107 V HA -0.196 3.923 4.120 -0.001 0.000 0.247 107 V C 2.365 178.412 176.094 -0.078 0.000 1.048 107 V CA 1.697 63.970 62.300 -0.045 0.000 1.049 107 V CB -0.596 31.152 31.823 -0.126 0.000 0.672 107 V HN 0.553 nan 8.190 nan 0.000 0.457 108 I N 0.187 120.688 120.570 -0.116 0.000 2.286 108 I HA -0.275 3.894 4.170 -0.001 0.000 0.248 108 I C 2.584 178.622 176.117 -0.131 0.000 1.115 108 I CA 1.859 63.091 61.300 -0.112 0.000 1.392 108 I CB -0.268 37.670 38.000 -0.104 0.000 1.065 108 I HN 0.429 nan 8.210 nan 0.000 0.418 109 E N 1.282 121.370 120.200 -0.186 0.000 2.085 109 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 109 E C 2.333 178.559 176.600 -0.624 0.000 0.994 109 E CA 1.289 57.457 56.400 -0.386 0.000 0.801 109 E CB -0.023 29.468 29.700 -0.348 0.000 0.743 109 E HN 0.471 nan 8.360 nan 0.000 0.453 110 L N 0.831 121.888 121.223 -0.276 0.000 2.056 110 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 110 L C 2.858 179.804 176.870 0.127 0.000 1.078 110 L CA 1.048 55.864 54.840 -0.041 0.000 0.749 110 L CB -0.482 41.699 42.059 0.203 0.000 0.901 110 L HN 0.225 nan 8.230 nan 0.000 0.433 111 E N 1.001 121.328 120.200 0.212 0.000 2.077 111 E HA -0.219 4.130 4.350 -0.001 0.000 0.193 111 E C 1.624 178.300 176.600 0.127 0.000 0.989 111 E CA 1.382 57.948 56.400 0.277 0.000 0.800 111 E CB -0.151 29.662 29.700 0.187 0.000 0.746 111 E HN 0.586 nan 8.360 nan 0.000 0.452 112 N N -0.764 117.946 118.700 0.018 0.000 2.520 112 N HA -0.117 4.622 4.740 -0.001 0.000 0.185 112 N C 1.249 176.839 175.510 0.133 0.000 1.068 112 N CA 0.283 53.352 53.050 0.030 0.000 0.911 112 N CB -0.051 38.421 38.487 -0.025 0.000 0.961 112 N HN 0.329 nan 8.380 nan 0.000 0.446 113 Y N -0.358 119.988 120.300 0.076 0.000 2.546 113 Y HA 0.094 4.643 4.550 -0.001 0.000 0.287 113 Y C 1.727 177.645 175.900 0.030 0.000 1.158 113 Y CA -0.216 57.911 58.100 0.045 0.000 1.307 113 Y CB 0.666 39.159 38.460 0.055 0.000 1.036 113 Y HN 0.112 nan 8.280 nan 0.000 0.532 114 G N 0.877 109.793 108.800 0.192 0.000 2.163 114 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.213 114 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.213 114 G C 0.155 175.108 174.900 0.088 0.000 0.991 114 G CA -0.225 44.946 45.100 0.118 0.000 0.653 114 G HN 0.266 nan 8.290 nan 0.000 0.518 115 M N 2.756 122.412 119.600 0.094 0.000 2.284 115 M HA 0.328 4.808 4.480 -0.001 0.000 0.351 115 M C -1.446 174.800 176.300 -0.089 0.000 1.443 115 M CA -0.926 54.335 55.300 -0.065 0.000 1.031 115 M CB 0.569 33.049 32.600 -0.200 0.000 1.893 115 M HN 0.014 nan 8.290 nan 0.000 0.456 116 P HA 0.073 nan 4.420 nan 0.000 0.226 116 P C -0.955 176.336 177.300 -0.014 0.000 1.783 116 P CA -0.028 63.059 63.100 -0.022 0.000 0.980 116 P CB -0.813 30.885 31.700 -0.003 0.000 1.967 117 F N 0.573 120.560 119.950 0.061 0.000 2.628 117 F HA -0.041 4.486 4.527 -0.001 0.000 0.362 117 F C 1.709 177.552 175.800 0.071 0.000 1.148 117 F CA 0.873 58.915 58.000 0.070 0.000 1.352 117 F CB -0.001 39.036 39.000 0.062 0.000 1.081 117 F HN 0.072 nan 8.300 nan 0.000 0.605 118 S N 3.152 119.043 115.700 0.318 0.000 2.584 118 S HA 0.374 4.844 4.470 -0.001 0.000 0.270 118 S C 0.168 174.896 174.600 0.214 0.000 1.346 118 S CA -0.699 57.617 58.200 0.194 0.000 1.018 118 S CB 0.521 63.813 63.200 0.155 0.000 0.899 118 S HN 0.325 nan 8.310 nan 0.000 0.542 119 R N 0.876 121.446 120.500 0.116 0.000 2.854 119 R HA 0.523 4.862 4.340 -0.001 0.000 0.271 119 R C 0.181 176.538 176.300 0.094 0.000 0.996 119 R CA -0.659 55.508 56.100 0.112 0.000 0.961 119 R CB 1.237 31.581 30.300 0.073 0.000 1.182 119 R HN 0.825 nan 8.270 nan 0.000 0.479 120 T N -2.010 112.609 114.554 0.109 0.000 2.862 120 T HA 0.212 4.562 4.350 -0.001 0.000 0.276 120 T C 0.995 175.725 174.700 0.050 0.000 0.974 120 T CA -0.715 61.445 62.100 0.100 0.000 0.966 120 T CB 1.006 69.933 68.868 0.098 0.000 1.072 120 T HN 0.361 nan 8.240 nan 0.000 0.538 121 E N 0.380 120.603 120.200 0.038 0.000 2.333 121 E HA -0.118 4.231 4.350 -0.001 0.000 0.198 121 E C 1.498 178.110 176.600 0.019 0.000 1.007 121 E CA 1.070 57.483 56.400 0.022 0.000 0.845 121 E CB -0.051 29.659 29.700 0.017 0.000 0.766 121 E HN 0.785 nan 8.360 nan 0.000 0.507 122 E N -0.526 119.687 120.200 0.022 0.000 2.479 122 E HA 0.123 4.472 4.350 -0.001 0.000 0.193 122 E C 0.910 177.520 176.600 0.017 0.000 1.049 122 E CA 0.317 56.726 56.400 0.015 0.000 0.870 122 E CB 0.422 30.128 29.700 0.011 0.000 0.944 122 E HN 0.314 nan 8.360 nan 0.000 0.492 123 G N 1.954 110.768 108.800 0.024 0.000 2.157 123 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.248 123 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.248 123 G C 0.206 175.123 174.900 0.028 0.000 0.979 123 G CA 0.324 45.441 45.100 0.027 0.000 0.650 123 G HN 0.159 nan 8.290 nan 0.000 0.529 124 K N -0.570 119.844 120.400 0.023 0.000 2.209 124 K HA 0.687 5.006 4.320 -0.001 0.000 0.238 124 K C 0.750 177.358 176.600 0.014 0.000 1.028 124 K CA -0.992 55.297 56.287 0.004 0.000 0.935 124 K CB 1.032 33.524 32.500 -0.014 0.000 1.162 124 K HN 0.157 nan 8.250 nan 0.000 0.485 125 I N 2.196 122.736 120.570 -0.050 0.000 2.517 125 I HA -0.045 4.124 4.170 -0.001 0.000 0.285 125 I C -0.046 176.074 176.117 0.005 0.000 1.106 125 I CA -0.131 61.123 61.300 -0.075 0.000 1.402 125 I CB -0.058 37.718 38.000 -0.373 0.000 1.399 125 I HN 0.430 nan 8.210 nan 0.000 0.535 126 Y N 7.658 127.953 120.300 -0.009 0.000 2.511 126 Y HA 0.135 4.685 4.550 -0.001 0.000 0.332 126 Y C -0.227 175.681 175.900 0.015 0.000 1.177 126 Y CA -0.053 58.057 58.100 0.017 0.000 1.422 126 Y CB 0.401 38.893 38.460 0.053 0.000 1.271 126 Y HN 0.501 nan 8.280 nan 0.000 0.550 127 Q N 6.679 126.089 119.800 -0.650 0.000 2.356 127 Q HA 0.455 4.795 4.340 -0.001 0.000 0.270 127 Q C -1.029 174.552 176.000 -0.698 0.000 1.058 127 Q CA -1.159 54.335 55.803 -0.514 0.000 0.802 127 Q CB 2.519 31.106 28.738 -0.251 0.000 1.303 127 Q HN 0.763 nan 8.270 nan 0.000 0.444 128 R N 0.210 120.472 120.500 -0.397 0.000 2.782 128 R HA 0.859 5.198 4.340 -0.001 0.000 0.258 128 R C -0.564 175.755 176.300 0.032 0.000 1.055 128 R CA -0.856 55.171 56.100 -0.122 0.000 1.065 128 R CB 0.853 31.205 30.300 0.087 0.000 1.172 128 R HN 0.517 nan 8.270 nan 0.000 0.510 129 A N 0.887 123.762 122.820 0.091 0.000 2.366 129 A HA 0.540 4.859 4.320 -0.001 0.000 0.249 129 A C -0.958 176.730 177.584 0.174 0.000 1.084 129 A CA -0.015 51.980 52.037 -0.070 0.000 0.794 129 A CB 0.095 19.012 19.000 -0.139 0.000 1.034 129 A HN 0.547 nan 8.150 nan 0.000 0.491 130 F N -1.168 118.704 119.950 -0.130 0.000 2.686 130 F HA 0.533 5.059 4.527 -0.001 0.000 0.311 130 F C 0.709 176.447 175.800 -0.102 0.000 1.128 130 F CA -0.016 57.930 58.000 -0.090 0.000 0.946 130 F CB 1.554 40.509 39.000 -0.075 0.000 1.336 130 F HN 0.827 nan 8.300 nan 0.000 0.457 131 G N 0.728 109.439 108.800 -0.148 0.000 2.340 131 G HA2 0.420 4.379 3.960 -0.001 0.000 0.245 131 G HA3 0.420 4.379 3.960 -0.001 0.000 0.245 131 G C 0.768 175.615 174.900 -0.088 0.000 1.294 131 G CA 0.388 45.393 45.100 -0.158 0.000 0.896 131 G HN 1.720 nan 8.290 nan 0.000 0.522 132 G N 1.006 109.748 108.800 -0.097 0.000 2.147 132 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.244 132 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.244 132 G C 0.246 175.214 174.900 0.113 0.000 1.005 132 G CA 0.486 45.581 45.100 -0.008 0.000 0.713 132 G HN 0.842 nan 8.290 nan 0.000 0.515 133 Q N 0.108 119.953 119.800 0.075 0.000 2.333 133 Q HA 0.652 4.991 4.340 -0.001 0.000 0.267 133 Q C 0.031 176.060 176.000 0.048 0.000 1.012 133 Q CA 0.022 55.870 55.803 0.074 0.000 0.824 133 Q CB 2.119 30.876 28.738 0.030 0.000 1.290 133 Q HN 0.663 nan 8.270 nan 0.000 0.449 134 S N 1.877 117.619 115.700 0.069 0.000 2.697 134 S HA 0.705 5.175 4.470 -0.001 0.000 0.289 134 S C -0.726 173.841 174.600 -0.055 0.000 1.149 134 S CA -0.876 57.327 58.200 0.006 0.000 0.850 134 S CB 1.037 64.250 63.200 0.021 0.000 1.151 134 S HN 0.485 nan 8.310 nan 0.000 0.491 135 L N 1.206 122.310 121.223 -0.198 0.000 2.344 135 L HA 0.517 4.856 4.340 -0.001 0.000 0.272 135 L C 0.034 176.322 176.870 -0.969 0.000 1.035 135 L CA -0.850 53.685 54.840 -0.508 0.000 0.807 135 L CB 0.706 42.553 42.059 -0.354 0.000 1.237 135 L HN 0.801 nan 8.230 nan 0.000 0.442 136 Q N 2.702 121.180 119.800 -2.204 0.000 2.460 136 Q HA -0.246 4.094 4.340 -0.001 0.000 0.311 136 Q C -0.331 175.160 176.000 -0.849 0.000 1.396 136 Q CA 0.570 55.368 55.803 -1.675 0.000 0.838 136 Q CB -1.635 26.619 28.738 -0.808 0.000 1.140 136 Q HN 0.719 nan 8.270 nan 0.000 0.415 137 F N -1.219 118.242 119.950 -0.815 0.000 3.067 137 F HA -0.295 4.231 4.527 -0.001 0.000 0.279 137 F C 1.459 176.769 175.800 -0.817 0.000 0.945 137 F CA 1.699 59.234 58.000 -0.775 0.000 0.948 137 F CB -1.905 36.694 39.000 -0.667 0.000 0.898 137 F HN 0.607 nan 8.300 nan 0.000 0.746 138 G N -0.729 107.911 108.800 -0.266 0.000 2.179 138 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.260 138 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.260 138 G C 1.011 175.856 174.900 -0.092 0.000 0.977 138 G CA 0.572 45.650 45.100 -0.037 0.000 0.641 138 G HN 0.519 nan 8.290 nan 0.000 0.533 139 K N -0.143 120.152 120.400 -0.175 0.000 2.354 139 K HA 0.293 4.612 4.320 -0.001 0.000 0.194 139 K C 2.082 178.596 176.600 -0.144 0.000 1.045 139 K CA 0.567 56.774 56.287 -0.134 0.000 1.026 139 K CB 0.494 32.916 32.500 -0.130 0.000 0.866 139 K HN 0.295 nan 8.250 nan 0.000 0.530 140 G N 1.087 109.757 108.800 -0.218 0.000 3.523 140 G HA2 0.418 4.378 3.960 -0.001 0.000 0.270 140 G HA3 0.418 4.378 3.960 -0.001 0.000 0.270 140 G C 0.270 175.092 174.900 -0.130 0.000 1.134 140 G CA 0.186 45.167 45.100 -0.198 0.000 0.825 140 G HN 0.359 nan 8.290 nan 0.000 0.534 141 G N -0.363 108.387 108.800 -0.084 0.000 2.661 141 G HA2 0.044 4.004 3.960 -0.001 0.000 0.685 141 G HA3 0.044 4.004 3.960 -0.001 0.000 0.685 141 G C -0.403 174.478 174.900 -0.033 0.000 1.298 141 G CA -0.452 44.626 45.100 -0.036 0.000 0.855 141 G HN 0.627 nan 8.290 nan 0.000 0.560 142 Q N 0.159 119.952 119.800 -0.012 0.000 2.274 142 Q HA 0.582 4.921 4.340 -0.001 0.000 0.280 142 Q C 0.646 176.567 176.000 -0.131 0.000 1.047 142 Q CA 1.151 56.911 55.803 -0.070 0.000 0.907 142 Q CB 0.630 29.316 28.738 -0.086 0.000 1.171 142 Q HN 1.807 nan 8.270 nan 0.000 0.381 143 A N 4.411 127.137 122.820 -0.156 0.000 2.286 143 A HA 0.461 4.780 4.320 -0.001 0.000 0.286 143 A C -1.054 176.282 177.584 -0.413 0.000 1.097 143 A CA -0.432 51.531 52.037 -0.123 0.000 0.821 143 A CB 0.382 19.372 19.000 -0.017 0.000 1.076 143 A HN 0.935 nan 8.150 nan 0.000 0.490 144 H N 0.138 119.201 119.070 -0.012 0.000 2.423 144 H HA 0.382 4.938 4.556 -0.001 0.000 0.237 144 H C 0.562 175.830 175.328 -0.101 0.000 1.391 144 H CA -0.164 55.851 56.048 -0.056 0.000 1.453 144 H CB 0.489 30.208 29.762 -0.072 0.000 1.484 144 H HN 0.688 nan 8.280 nan 0.000 0.505 145 R N -0.273 120.175 120.500 -0.087 0.000 2.535 145 R HA 0.237 4.577 4.340 -0.001 0.000 0.323 145 R C -0.369 175.818 176.300 -0.189 0.000 0.979 145 R CA -0.235 55.785 56.100 -0.134 0.000 1.120 145 R CB -0.243 29.964 30.300 -0.155 0.000 1.306 145 R HN 0.328 nan 8.270 nan 0.000 0.540 146 C N 3.065 122.250 119.300 -0.192 0.000 2.345 146 C HA 0.450 4.910 4.460 -0.001 0.000 0.349 146 C C 0.649 175.529 174.990 -0.185 0.000 1.130 146 C CA -0.811 58.053 59.018 -0.256 0.000 1.574 146 C CB -1.526 25.973 27.740 -0.401 0.000 2.108 146 C HN 0.660 nan 8.230 nan 0.000 0.516 147 C N 5.670 124.889 119.300 -0.136 0.000 2.653 147 C HA 0.555 5.014 4.460 -0.001 0.000 0.421 147 C C 0.935 176.033 174.990 0.180 0.000 1.334 147 C CA -0.448 58.536 59.018 -0.058 0.000 1.885 147 C CB -1.982 25.631 27.740 -0.211 0.000 2.645 147 C HN 1.029 nan 8.230 nan 0.000 0.601 148 C N 1.061 120.567 119.300 0.342 0.000 3.318 148 C HA 0.821 5.280 4.460 -0.001 0.000 0.322 148 C C -0.858 174.357 174.990 0.374 0.000 1.398 148 C CA -0.664 58.560 59.018 0.344 0.000 1.339 148 C CB 0.619 28.493 27.740 0.223 0.000 1.668 148 C HN 0.590 nan 8.230 nan 0.000 0.462 149 V N 2.852 122.865 119.914 0.165 0.000 2.250 149 V HA 0.656 4.775 4.120 -0.001 0.000 0.268 149 V C 1.141 177.292 176.094 0.094 0.000 1.043 149 V CA 1.099 63.448 62.300 0.081 0.000 0.814 149 V CB -0.189 31.603 31.823 -0.053 0.000 1.072 149 V HN 2.152 nan 8.190 nan 0.000 0.451 150 A N 4.826 127.716 122.820 0.117 0.000 5.395 150 A HA -0.287 4.032 4.320 -0.001 0.000 0.332 150 A C 0.970 178.620 177.584 0.111 0.000 1.754 150 A CA 1.915 54.006 52.037 0.090 0.000 0.716 150 A CB -1.225 17.800 19.000 0.041 0.000 1.411 150 A HN 1.096 nan 8.150 nan 0.000 0.398 151 D N -0.403 120.045 120.400 0.079 0.000 2.772 151 D HA 0.393 5.032 4.640 -0.001 0.000 0.272 151 D C 0.386 176.724 176.300 0.063 0.000 1.314 151 D CA -0.015 54.039 54.000 0.090 0.000 0.835 151 D CB -0.185 40.667 40.800 0.087 0.000 1.080 151 D HN 0.578 nan 8.370 nan 0.000 0.482 152 R N -0.261 120.273 120.500 0.057 0.000 2.698 152 R HA 0.208 4.548 4.340 -0.001 0.000 0.422 152 R C 0.424 176.777 176.300 0.089 0.000 1.073 152 R CA -0.181 55.952 56.100 0.055 0.000 1.054 152 R CB 0.398 30.701 30.300 0.005 0.000 1.373 152 R HN -0.027 nan 8.270 nan 0.000 0.593 153 T N -0.133 114.461 114.554 0.067 0.000 2.788 153 T HA -0.118 4.232 4.350 -0.001 0.000 0.268 153 T C 1.954 176.673 174.700 0.031 0.000 1.044 153 T CA 1.852 63.971 62.100 0.031 0.000 1.139 153 T CB 0.023 68.915 68.868 0.041 0.000 0.867 153 T HN 0.557 nan 8.240 nan 0.000 0.454 154 G N 0.489 109.320 108.800 0.052 0.000 2.408 154 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.217 154 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.217 154 G C 1.236 176.176 174.900 0.067 0.000 1.150 154 G CA 1.074 46.196 45.100 0.038 0.000 0.776 154 G HN 0.661 nan 8.290 nan 0.000 0.542 155 H N 0.915 120.001 119.070 0.026 0.000 2.319 155 H HA -0.034 4.522 4.556 -0.001 0.000 0.299 155 H C 2.641 178.057 175.328 0.147 0.000 1.092 155 H CA 2.198 58.309 56.048 0.104 0.000 1.302 155 H CB -0.154 29.663 29.762 0.092 0.000 1.373 155 H HN 0.261 nan 8.280 nan 0.000 0.497 156 S N -0.006 115.736 115.700 0.071 0.000 2.383 156 S HA -0.085 4.384 4.470 -0.001 0.000 0.227 156 S C 2.171 176.736 174.600 -0.057 0.000 1.026 156 S CA 0.911 59.091 58.200 -0.034 0.000 0.981 156 S CB -0.368 62.810 63.200 -0.036 0.000 0.818 156 S HN 0.477 nan 8.310 nan 0.000 0.472 157 L N 0.961 122.155 121.223 -0.049 0.000 2.017 157 L HA -0.069 4.270 4.340 -0.001 0.000 0.208 157 L C 2.201 179.078 176.870 0.012 0.000 1.073 157 L CA 1.294 56.126 54.840 -0.015 0.000 0.745 157 L CB -0.273 41.791 42.059 0.008 0.000 0.894 157 L HN 0.260 nan 8.230 nan 0.000 0.432 158 L N -0.739 120.465 121.223 -0.032 0.000 2.056 158 L HA -0.231 4.109 4.340 -0.001 0.000 0.207 158 L C 2.574 179.378 176.870 -0.110 0.000 1.078 158 L CA 1.781 56.574 54.840 -0.079 0.000 0.749 158 L CB -0.883 41.080 42.059 -0.160 0.000 0.901 158 L HN 0.352 nan 8.230 nan 0.000 0.433 159 H N -1.354 117.653 119.070 -0.105 0.000 2.423 159 H HA -0.073 4.482 4.556 -0.001 0.000 0.297 159 H C 1.966 177.295 175.328 0.003 0.000 1.075 159 H CA 1.773 57.783 56.048 -0.064 0.000 1.342 159 H CB -0.124 29.507 29.762 -0.218 0.000 1.395 159 H HN 0.385 nan 8.280 nan 0.000 0.530 160 T N 1.263 115.867 114.554 0.082 0.000 2.737 160 T HA -0.055 4.295 4.350 -0.001 0.000 0.265 160 T C 2.450 177.171 174.700 0.035 0.000 1.038 160 T CA 0.531 62.669 62.100 0.063 0.000 1.144 160 T CB -0.251 68.666 68.868 0.082 0.000 0.866 160 T HN 0.179 nan 8.240 nan 0.000 0.434 161 L N -0.243 121.039 121.223 0.098 0.000 2.046 161 L HA -0.106 4.233 4.340 -0.001 0.000 0.208 161 L C 2.421 179.327 176.870 0.059 0.000 1.077 161 L CA 1.502 56.433 54.840 0.152 0.000 0.747 161 L CB -0.554 41.654 42.059 0.248 0.000 0.896 161 L HN 0.276 nan 8.230 nan 0.000 0.432 162 Y N 0.952 121.208 120.300 -0.073 0.000 2.145 162 Y HA -0.179 4.371 4.550 -0.001 0.000 0.286 162 Y C 2.336 178.141 175.900 -0.159 0.000 1.145 162 Y CA 1.444 59.454 58.100 -0.150 0.000 1.148 162 Y CB -0.807 37.531 38.460 -0.203 0.000 0.981 162 Y HN 0.062 nan 8.280 nan 0.000 0.507 163 G N -0.128 108.527 108.800 -0.241 0.000 2.446 163 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.217 163 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.217 163 G C 1.763 176.435 174.900 -0.381 0.000 1.168 163 G CA 1.142 46.063 45.100 -0.299 0.000 0.771 163 G HN 0.354 nan 8.290 nan 0.000 0.551 164 R N 1.404 121.653 120.500 -0.419 0.000 2.096 164 R HA -0.099 4.241 4.340 -0.001 0.000 0.235 164 R C 2.874 178.792 176.300 -0.637 0.000 1.127 164 R CA 1.951 57.677 56.100 -0.624 0.000 0.968 164 R CB -0.698 29.003 30.300 -0.999 0.000 0.861 164 R HN 0.413 nan 8.270 nan 0.000 0.440 165 S N -0.065 115.295 115.700 -0.566 0.000 2.442 165 S HA -0.109 4.361 4.470 -0.001 0.000 0.236 165 S C 1.834 176.323 174.600 -0.185 0.000 1.007 165 S CA 1.183 59.235 58.200 -0.247 0.000 0.965 165 S CB -0.465 62.693 63.200 -0.070 0.000 0.773 165 S HN 0.424 nan 8.310 nan 0.000 0.504 166 L N 0.332 121.327 121.223 -0.380 0.000 2.551 166 L HA 0.125 4.464 4.340 -0.001 0.000 0.228 166 L C 2.576 179.308 176.870 -0.231 0.000 1.153 166 L CA 0.602 55.255 54.840 -0.311 0.000 0.851 166 L CB -0.398 41.440 42.059 -0.368 0.000 0.959 166 L HN 0.304 nan 8.230 nan 0.000 0.451 167 R N -1.301 119.009 120.500 -0.317 0.000 2.310 167 R HA 0.107 4.446 4.340 -0.001 0.000 0.202 167 R C -0.395 175.555 176.300 -0.583 0.000 0.933 167 R CA 0.201 56.017 56.100 -0.473 0.000 1.054 167 R CB 0.186 30.071 30.300 -0.692 0.000 0.985 167 R HN 0.213 nan 8.270 nan 0.000 0.489 168 Y N -0.392 119.853 120.300 -0.091 0.000 2.659 168 Y HA 0.096 4.645 4.550 -0.001 0.000 0.333 168 Y C 0.909 176.827 175.900 0.031 0.000 1.064 168 Y CA -1.432 56.661 58.100 -0.011 0.000 1.141 168 Y CB 0.797 39.277 38.460 0.034 0.000 1.316 168 Y HN -0.045 nan 8.280 nan 0.000 0.509 169 D N -1.288 119.255 120.400 0.238 0.000 2.370 169 D HA 0.030 4.669 4.640 -0.001 0.000 0.230 169 D C -0.296 176.105 176.300 0.169 0.000 1.143 169 D CA -0.057 54.042 54.000 0.165 0.000 0.834 169 D CB -0.900 39.979 40.800 0.132 0.000 0.944 169 D HN 0.348 nan 8.370 nan 0.000 0.504 170 T N 0.564 115.233 114.554 0.192 0.000 2.934 170 T HA 0.104 4.454 4.350 -0.001 0.000 0.306 170 T C 0.322 175.017 174.700 -0.009 0.000 1.042 170 T CA 0.066 62.202 62.100 0.060 0.000 1.145 170 T CB 0.801 69.695 68.868 0.044 0.000 0.982 170 T HN 0.001 nan 8.240 nan 0.000 0.544 171 S N 2.453 118.074 115.700 -0.132 0.000 2.430 171 S HA 0.333 4.803 4.470 -0.001 0.000 0.289 171 S C -0.664 173.622 174.600 -0.524 0.000 1.143 171 S CA -0.581 57.518 58.200 -0.167 0.000 1.067 171 S CB -0.065 63.191 63.200 0.094 0.000 0.964 171 S HN 0.478 nan 8.310 nan 0.000 0.485 172 Y N 1.971 122.068 120.300 -0.338 0.000 2.323 172 Y HA 0.432 4.981 4.550 -0.001 0.000 0.331 172 Y C -0.254 175.254 175.900 -0.653 0.000 1.092 172 Y CA -0.860 57.046 58.100 -0.323 0.000 1.150 172 Y CB 0.661 39.027 38.460 -0.157 0.000 1.200 172 Y HN 0.538 nan 8.280 nan 0.000 0.472 173 F N 2.688 122.451 119.950 -0.313 0.000 2.359 173 F HA 0.429 4.956 4.527 -0.001 0.000 0.370 173 F C -0.519 175.114 175.800 -0.278 0.000 1.077 173 F CA -0.930 56.712 58.000 -0.596 0.000 1.136 173 F CB 0.655 38.943 39.000 -1.187 0.000 1.387 173 F HN 0.085 nan 8.300 nan 0.000 0.468 174 V N 2.476 122.482 119.914 0.153 0.000 2.509 174 V HA 0.239 4.359 4.120 -0.001 0.000 0.284 174 V C 0.339 176.692 176.094 0.431 0.000 1.047 174 V CA -0.818 61.645 62.300 0.271 0.000 0.952 174 V CB 1.239 33.219 31.823 0.262 0.000 0.988 174 V HN 0.790 nan 8.190 nan 0.000 0.469 175 E N 1.938 122.335 120.200 0.330 0.000 2.358 175 E HA -0.218 4.132 4.350 -0.001 0.000 0.246 175 E C -1.357 175.386 176.600 0.239 0.000 1.127 175 E CA 0.409 56.956 56.400 0.244 0.000 0.726 175 E CB -0.912 28.934 29.700 0.244 0.000 1.272 175 E HN 0.616 nan 8.360 nan 0.000 0.390 176 Y N -0.138 120.204 120.300 0.069 0.000 2.364 176 Y HA 0.475 5.024 4.550 -0.001 0.000 0.340 176 Y C -0.221 175.729 175.900 0.083 0.000 0.975 176 Y CA -1.065 57.080 58.100 0.075 0.000 1.089 176 Y CB 1.110 39.606 38.460 0.060 0.000 1.192 176 Y HN 0.166 nan 8.280 nan 0.000 0.454 177 F N 3.524 123.512 119.950 0.064 0.000 2.361 177 F HA 0.724 5.250 4.527 -0.001 0.000 0.364 177 F C 0.102 175.921 175.800 0.032 0.000 1.117 177 F CA -0.957 57.050 58.000 0.013 0.000 1.071 177 F CB 0.424 39.393 39.000 -0.052 0.000 1.188 177 F HN 0.602 nan 8.300 nan 0.000 0.464 178 A N 7.039 129.706 122.820 -0.254 0.000 2.454 178 A HA 0.350 4.670 4.320 -0.001 0.000 0.260 178 A C 0.307 177.803 177.584 -0.147 0.000 1.106 178 A CA -0.192 51.754 52.037 -0.151 0.000 0.780 178 A CB 0.227 19.104 19.000 -0.206 0.000 1.044 178 A HN 1.045 nan 8.150 nan 0.000 0.498 179 L N 1.126 122.378 121.223 0.048 0.000 2.388 179 L HA 0.298 4.637 4.340 -0.001 0.000 0.209 179 L C 0.099 176.992 176.870 0.038 0.000 1.061 179 L CA 0.423 55.325 54.840 0.104 0.000 0.834 179 L CB 0.076 42.210 42.059 0.125 0.000 1.029 179 L HN 0.587 nan 8.230 nan 0.000 0.473 180 D N -1.260 119.152 120.400 0.020 0.000 2.694 180 D HA 0.381 5.020 4.640 -0.001 0.000 0.260 180 D C -1.188 175.115 176.300 0.004 0.000 1.250 180 D CA -0.503 53.500 54.000 0.005 0.000 0.763 180 D CB 2.416 43.225 40.800 0.014 0.000 1.311 180 D HN -0.181 nan 8.370 nan 0.000 0.420 181 L N 0.768 121.988 121.223 -0.006 0.000 2.395 181 L HA 0.378 4.718 4.340 -0.001 0.000 0.269 181 L C 0.140 177.016 176.870 0.010 0.000 1.133 181 L CA -0.539 54.300 54.840 -0.003 0.000 0.812 181 L CB 0.552 42.601 42.059 -0.015 0.000 1.125 181 L HN 0.151 nan 8.230 nan 0.000 0.452 182 L N 4.216 125.451 121.223 0.020 0.000 2.288 182 L HA 0.343 4.683 4.340 -0.001 0.000 0.283 182 L C -0.200 176.679 176.870 0.015 0.000 1.072 182 L CA -0.115 54.739 54.840 0.023 0.000 0.862 182 L CB 0.622 42.703 42.059 0.037 0.000 1.245 182 L HN 0.495 nan 8.230 nan 0.000 0.432 183 M N 2.597 122.202 119.600 0.008 0.000 2.423 183 M HA 0.482 4.961 4.480 -0.001 0.000 0.335 183 M C -0.555 175.747 176.300 0.003 0.000 1.177 183 M CA -0.558 54.744 55.300 0.003 0.000 1.038 183 M CB 1.585 34.184 32.600 -0.003 0.000 1.641 183 M HN 0.271 nan 8.290 nan 0.000 0.455 184 E N 2.147 122.348 120.200 0.002 0.000 2.313 184 E HA 0.331 4.680 4.350 -0.001 0.000 0.280 184 E C -0.995 175.604 176.600 -0.002 0.000 0.898 184 E CA 0.009 56.410 56.400 0.002 0.000 0.803 184 E CB 0.575 30.278 29.700 0.005 0.000 1.286 184 E HN 0.668 nan 8.360 nan 0.000 0.401 185 N N 3.175 121.872 118.700 -0.004 0.000 2.747 185 N HA -0.209 4.531 4.740 -0.001 0.000 0.249 185 N C 0.653 176.157 175.510 -0.010 0.000 1.107 185 N CA 1.347 54.393 53.050 -0.006 0.000 0.707 185 N CB -1.528 36.956 38.487 -0.005 0.000 1.054 185 N HN 1.071 nan 8.380 nan 0.000 0.555 186 G N -0.817 107.977 108.800 -0.010 0.000 2.148 186 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.254 186 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.254 186 G C -0.274 174.615 174.900 -0.019 0.000 0.981 186 G CA 0.837 45.928 45.100 -0.014 0.000 0.670 186 G HN 0.624 nan 8.290 nan 0.000 0.528 187 E N -0.738 119.454 120.200 -0.014 0.000 2.212 187 E HA 0.491 4.841 4.350 -0.001 0.000 0.268 187 E C -0.122 176.473 176.600 -0.008 0.000 0.902 187 E CA -0.746 55.646 56.400 -0.014 0.000 0.779 187 E CB 2.161 31.857 29.700 -0.006 0.000 1.172 187 E HN 0.248 nan 8.360 nan 0.000 0.409 188 C N 2.702 121.996 119.300 -0.010 0.000 2.435 188 C HA 0.302 4.761 4.460 -0.001 0.000 0.375 188 C C 0.862 175.862 174.990 0.017 0.000 1.281 188 C CA -0.258 58.759 59.018 -0.000 0.000 1.963 188 C CB -0.652 27.084 27.740 -0.007 0.000 2.490 188 C HN 0.796 nan 8.230 nan 0.000 0.557 189 R N 3.440 123.954 120.500 0.024 0.000 2.596 189 R HA 0.403 4.743 4.340 -0.001 0.000 0.369 189 R C 0.606 176.939 176.300 0.055 0.000 1.042 189 R CA 0.442 56.565 56.100 0.038 0.000 1.120 189 R CB 0.658 30.978 30.300 0.034 0.000 1.353 189 R HN 1.040 nan 8.270 nan 0.000 0.564 190 G N 0.312 109.143 108.800 0.051 0.000 2.320 190 G HA2 0.110 4.070 3.960 -0.001 0.000 0.274 190 G HA3 0.110 4.070 3.960 -0.001 0.000 0.274 190 G C -1.551 173.386 174.900 0.061 0.000 1.324 190 G CA -0.318 44.827 45.100 0.074 0.000 0.957 190 G HN 0.183 nan 8.290 nan 0.000 0.481 191 V N -2.123 117.854 119.914 0.105 0.000 3.049 191 V HA 0.889 5.009 4.120 -0.001 0.000 0.309 191 V C -0.553 175.651 176.094 0.183 0.000 1.148 191 V CA -0.945 61.409 62.300 0.090 0.000 0.990 191 V CB 1.801 33.631 31.823 0.013 0.000 1.039 191 V HN 1.565 nan 8.190 nan 0.000 0.430 192 I N 2.739 123.393 120.570 0.140 0.000 2.441 192 I HA 0.931 5.100 4.170 -0.001 0.000 0.295 192 I C -0.008 176.223 176.117 0.190 0.000 0.994 192 I CA -0.408 60.995 61.300 0.172 0.000 1.144 192 I CB 1.572 39.629 38.000 0.096 0.000 1.314 192 I HN 1.268 nan 8.210 nan 0.000 0.445 193 A N 6.613 129.601 122.820 0.281 0.000 2.556 193 A HA 0.696 5.015 4.320 -0.001 0.000 0.294 193 A C -1.915 175.845 177.584 0.293 0.000 1.091 193 A CA -0.609 51.607 52.037 0.298 0.000 0.704 193 A CB 1.673 20.909 19.000 0.394 0.000 1.300 193 A HN 0.670 nan 8.150 nan 0.000 0.406 194 L N 1.191 122.551 121.223 0.228 0.000 2.282 194 L HA 0.604 4.943 4.340 -0.001 0.000 0.288 194 L C -0.169 176.684 176.870 -0.028 0.000 1.033 194 L CA -0.414 54.495 54.840 0.115 0.000 0.807 194 L CB 0.998 43.080 42.059 0.038 0.000 1.209 194 L HN 0.806 nan 8.230 nan 0.000 0.423 195 C N 6.561 125.759 119.300 -0.170 0.000 2.442 195 C HA 0.305 4.765 4.460 -0.001 0.000 0.362 195 C C 1.803 176.595 174.990 -0.330 0.000 1.242 195 C CA -0.514 58.102 59.018 -0.671 0.000 1.741 195 C CB -1.457 25.893 27.740 -0.651 0.000 2.378 195 C HN 0.972 nan 8.230 nan 0.000 0.549 196 I N 3.411 123.771 120.570 -0.351 0.000 2.394 196 I HA -0.129 4.040 4.170 -0.001 0.000 0.251 196 I C 2.501 178.425 176.117 -0.322 0.000 1.136 196 I CA 1.510 62.562 61.300 -0.415 0.000 1.425 196 I CB -0.320 37.270 38.000 -0.683 0.000 1.079 196 I HN 0.830 nan 8.210 nan 0.000 0.425 197 E N 1.316 121.445 120.200 -0.118 0.000 2.150 197 E HA -0.265 4.085 4.350 -0.001 0.000 0.193 197 E C 0.862 177.546 176.600 0.140 0.000 0.985 197 E CA 1.732 58.230 56.400 0.163 0.000 0.814 197 E CB 0.143 29.976 29.700 0.221 0.000 0.752 197 E HN 0.644 nan 8.360 nan 0.000 0.466 198 D N -2.386 118.050 120.400 0.060 0.000 2.539 198 D HA 0.140 4.779 4.640 -0.001 0.000 0.232 198 D C 0.979 177.324 176.300 0.076 0.000 1.256 198 D CA 0.431 54.484 54.000 0.089 0.000 0.810 198 D CB 0.362 41.230 40.800 0.113 0.000 1.090 198 D HN 0.238 nan 8.370 nan 0.000 0.519 199 G N 0.634 109.459 108.800 0.042 0.000 2.168 199 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.263 199 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.263 199 G C 0.496 175.471 174.900 0.125 0.000 0.977 199 G CA 0.785 45.926 45.100 0.068 0.000 0.659 199 G HN 0.826 nan 8.290 nan 0.000 0.533 200 T N -0.931 113.702 114.554 0.133 0.000 2.899 200 T HA 0.717 5.066 4.350 -0.001 0.000 0.284 200 T C 0.343 175.154 174.700 0.184 0.000 1.004 200 T CA -0.904 61.286 62.100 0.151 0.000 1.043 200 T CB 2.183 71.130 68.868 0.132 0.000 1.013 200 T HN 0.257 nan 8.240 nan 0.000 0.518 201 I N 2.519 123.141 120.570 0.087 0.000 2.353 201 I HA 0.311 4.480 4.170 -0.001 0.000 0.293 201 I C 0.444 176.521 176.117 -0.066 0.000 0.992 201 I CA -0.534 60.818 61.300 0.086 0.000 1.268 201 I CB 0.692 38.712 38.000 0.033 0.000 1.387 201 I HN 0.713 nan 8.210 nan 0.000 0.478 202 H N 6.151 125.286 119.070 0.109 0.000 2.538 202 H HA 0.487 5.043 4.556 -0.001 0.000 0.353 202 H C -0.502 174.806 175.328 -0.034 0.000 1.109 202 H CA -0.824 55.245 56.048 0.035 0.000 1.192 202 H CB 2.411 32.233 29.762 0.101 0.000 1.555 202 H HN 0.371 nan 8.280 nan 0.000 0.518 203 R N 2.680 123.146 120.500 -0.057 0.000 2.360 203 R HA 0.263 4.602 4.340 -0.001 0.000 0.318 203 R C -1.090 175.144 176.300 -0.109 0.000 0.950 203 R CA -0.669 55.424 56.100 -0.012 0.000 0.837 203 R CB 1.112 31.410 30.300 -0.004 0.000 1.165 203 R HN 0.325 nan 8.270 nan 0.000 0.458 204 F N 3.185 123.193 119.950 0.096 0.000 2.334 204 F HA 0.389 4.915 4.527 -0.001 0.000 0.367 204 F C 0.844 176.694 175.800 0.083 0.000 1.115 204 F CA -0.599 57.450 58.000 0.080 0.000 1.116 204 F CB 0.907 39.840 39.000 -0.111 0.000 1.230 204 F HN 0.150 nan 8.300 nan 0.000 0.484 205 R N 2.668 123.303 120.500 0.225 0.000 2.404 205 R HA 0.889 5.228 4.340 -0.001 0.000 0.291 205 R C -0.637 175.776 176.300 0.188 0.000 1.025 205 R CA -0.843 55.350 56.100 0.156 0.000 0.991 205 R CB 1.579 31.934 30.300 0.090 0.000 1.053 205 R HN 0.712 nan 8.270 nan 0.000 0.479 206 A N 1.383 124.286 122.820 0.139 0.000 2.599 206 A HA 0.204 4.523 4.320 -0.001 0.000 0.294 206 A C -0.031 177.610 177.584 0.095 0.000 1.055 206 A CA -0.767 51.353 52.037 0.139 0.000 0.683 206 A CB 1.570 20.660 19.000 0.150 0.000 1.278 206 A HN 0.782 nan 8.150 nan 0.000 0.412 207 K N 0.109 120.566 120.400 0.096 0.000 2.217 207 K HA -0.006 4.314 4.320 -0.001 0.000 0.202 207 K C -0.161 176.479 176.600 0.067 0.000 1.051 207 K CA 1.064 57.398 56.287 0.078 0.000 0.952 207 K CB -0.032 32.523 32.500 0.091 0.000 0.736 207 K HN 0.652 nan 8.250 nan 0.000 0.453 208 N N 0.048 118.778 118.700 0.050 0.000 2.260 208 N HA 0.180 4.919 4.740 -0.001 0.000 0.293 208 N C -1.582 173.934 175.510 0.010 0.000 1.058 208 N CA -0.349 52.727 53.050 0.045 0.000 0.824 208 N CB 2.402 40.865 38.487 -0.040 0.000 1.551 208 N HN -0.165 nan 8.380 nan 0.000 0.475 209 T N 0.687 115.273 114.554 0.052 0.000 2.848 209 T HA 0.426 4.775 4.350 -0.001 0.000 0.285 209 T C -0.383 174.334 174.700 0.029 0.000 0.995 209 T CA -0.432 61.668 62.100 -0.001 0.000 0.970 209 T CB 1.723 70.589 68.868 -0.004 0.000 0.976 209 T HN 0.069 nan 8.240 nan 0.000 0.441 210 V N 4.740 124.626 119.914 -0.047 0.000 2.384 210 V HA 0.482 4.601 4.120 -0.001 0.000 0.287 210 V C -0.105 175.952 176.094 -0.063 0.000 1.020 210 V CA -0.825 61.457 62.300 -0.029 0.000 0.850 210 V CB 1.405 33.163 31.823 -0.107 0.000 0.987 210 V HN 0.805 nan 8.190 nan 0.000 0.436 211 I N 4.293 124.838 120.570 -0.043 0.000 2.304 211 I HA 0.552 4.722 4.170 -0.001 0.000 0.291 211 I C 0.573 176.656 176.117 -0.057 0.000 1.018 211 I CA -0.129 61.131 61.300 -0.067 0.000 1.260 211 I CB 1.456 39.418 38.000 -0.065 0.000 1.390 211 I HN 0.726 nan 8.210 nan 0.000 0.475 212 A N 3.730 126.509 122.820 -0.068 0.000 3.176 212 A HA 0.257 4.576 4.320 -0.001 0.000 0.265 212 A C 0.806 178.359 177.584 -0.051 0.000 0.936 212 A CA -0.370 51.638 52.037 -0.048 0.000 1.033 212 A CB -0.347 18.625 19.000 -0.048 0.000 1.158 212 A HN 0.726 nan 8.150 nan 0.000 0.485 213 T N -2.677 111.842 114.554 -0.059 0.000 3.169 213 T HA 0.466 4.815 4.350 -0.001 0.000 0.250 213 T C 1.163 175.838 174.700 -0.041 0.000 1.111 213 T CA 0.751 62.812 62.100 -0.066 0.000 1.010 213 T CB -0.255 68.555 68.868 -0.096 0.000 0.984 213 T HN 2.051 nan 8.240 nan 0.000 0.537 214 G N 0.085 108.870 108.800 -0.026 0.000 2.681 214 G HA2 0.231 4.191 3.960 -0.001 0.000 0.220 214 G HA3 0.231 4.191 3.960 -0.001 0.000 0.220 214 G C 0.079 174.947 174.900 -0.053 0.000 1.353 214 G CA -0.567 44.516 45.100 -0.028 0.000 0.872 214 G HN 0.869 nan 8.290 nan 0.000 0.557 215 G N -1.979 106.754 108.800 -0.111 0.000 2.606 215 G HA2 0.725 4.685 3.960 -0.001 0.000 0.262 215 G HA3 0.725 4.685 3.960 -0.001 0.000 0.262 215 G C 0.065 174.935 174.900 -0.051 0.000 1.394 215 G CA 0.411 45.409 45.100 -0.170 0.000 1.044 215 G HN 1.970 nan 8.290 nan 0.000 0.553 216 Y N -2.401 117.815 120.300 -0.141 0.000 2.685 216 Y HA 0.498 5.047 4.550 -0.001 0.000 0.257 216 Y C 1.433 177.303 175.900 -0.049 0.000 1.053 216 Y CA -0.525 57.528 58.100 -0.079 0.000 1.106 216 Y CB 0.135 38.566 38.460 -0.048 0.000 1.193 216 Y HN 0.491 nan 8.280 nan 0.000 0.602 217 G N 1.173 109.838 108.800 -0.225 0.000 2.479 217 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.220 217 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.220 217 G C 1.625 176.535 174.900 0.018 0.000 1.115 217 G CA 0.227 45.225 45.100 -0.169 0.000 0.757 217 G HN 0.248 nan 8.290 nan 0.000 0.560 218 R N 0.727 121.241 120.500 0.024 0.000 2.357 218 R HA -0.037 4.303 4.340 -0.001 0.000 0.202 218 R C 2.521 178.900 176.300 0.131 0.000 1.047 218 R CA 1.228 57.365 56.100 0.061 0.000 1.034 218 R CB -0.906 29.419 30.300 0.043 0.000 0.875 218 R HN 0.572 nan 8.270 nan 0.000 0.473 219 T N -2.906 111.764 114.554 0.193 0.000 3.035 219 T HA -0.041 4.309 4.350 -0.001 0.000 0.268 219 T C 0.733 175.460 174.700 0.045 0.000 1.109 219 T CA 0.684 62.867 62.100 0.139 0.000 1.119 219 T CB -0.143 68.833 68.868 0.181 0.000 0.900 219 T HN -0.004 nan 8.240 nan 0.000 0.503 220 Y N -0.796 119.558 120.300 0.091 0.000 2.519 220 Y HA 0.514 5.064 4.550 -0.001 0.000 0.324 220 Y C 0.887 176.881 175.900 0.157 0.000 1.214 220 Y CA -2.101 56.077 58.100 0.129 0.000 1.260 220 Y CB 0.680 39.197 38.460 0.095 0.000 1.311 220 Y HN -0.061 nan 8.280 nan 0.000 0.505 221 F N 0.038 120.115 119.950 0.212 0.000 2.270 221 F HA 0.102 4.628 4.527 -0.001 0.000 0.295 221 F C 0.872 176.736 175.800 0.106 0.000 1.087 221 F CA 0.780 58.857 58.000 0.128 0.000 1.365 221 F CB 0.168 39.233 39.000 0.109 0.000 1.056 221 F HN 0.249 nan 8.300 nan 0.000 0.506 222 S N 0.766 116.533 115.700 0.112 0.000 2.552 222 S HA 0.644 5.113 4.470 -0.001 0.000 0.314 222 S C -0.766 173.836 174.600 0.004 0.000 1.099 222 S CA -0.391 57.785 58.200 -0.040 0.000 1.070 222 S CB 0.173 63.411 63.200 0.062 0.000 0.998 222 S HN 0.461 nan 8.310 nan 0.000 0.474 223 C N 2.142 121.398 119.300 -0.074 0.000 3.288 223 C HA 0.748 5.207 4.460 -0.001 0.000 0.318 223 C C 1.373 176.306 174.990 -0.095 0.000 1.356 223 C CA 0.007 58.978 59.018 -0.078 0.000 1.359 223 C CB 0.646 28.332 27.740 -0.090 0.000 1.688 223 C HN 0.835 nan 8.230 nan 0.000 0.467 224 T N -1.284 113.241 114.554 -0.049 0.000 3.065 224 T HA 0.173 4.523 4.350 -0.001 0.000 0.252 224 T C 0.656 175.336 174.700 -0.034 0.000 1.099 224 T CA 0.503 62.596 62.100 -0.011 0.000 1.063 224 T CB -0.414 68.544 68.868 0.149 0.000 0.948 224 T HN 0.817 nan 8.240 nan 0.000 0.506 225 S N 2.042 117.638 115.700 -0.174 0.000 2.573 225 S HA 0.567 5.037 4.470 -0.001 0.000 0.277 225 S C 0.797 175.209 174.600 -0.313 0.000 1.346 225 S CA -0.475 57.477 58.200 -0.414 0.000 1.034 225 S CB 0.431 63.403 63.200 -0.380 0.000 0.879 225 S HN 0.780 nan 8.310 nan 0.000 0.528 226 A N 1.510 124.123 122.820 -0.345 0.000 2.406 226 A HA 0.166 4.485 4.320 -0.001 0.000 0.243 226 A C 1.132 178.641 177.584 -0.125 0.000 1.082 226 A CA -0.193 51.791 52.037 -0.088 0.000 0.786 226 A CB -0.168 18.884 19.000 0.086 0.000 1.029 226 A HN 0.990 nan 8.150 nan 0.000 0.495 227 H N 0.599 119.674 119.070 0.008 0.000 2.489 227 H HA -0.098 4.457 4.556 -0.001 0.000 0.293 227 H C 1.887 177.234 175.328 0.032 0.000 1.066 227 H CA 2.029 58.087 56.048 0.018 0.000 1.305 227 H CB -0.185 29.599 29.762 0.037 0.000 1.386 227 H HN 0.824 nan 8.280 nan 0.000 0.551 228 T N -2.108 112.531 114.554 0.141 0.000 3.107 228 T HA 0.080 4.429 4.350 -0.001 0.000 0.249 228 T C 0.896 175.629 174.700 0.055 0.000 1.096 228 T CA -0.241 61.927 62.100 0.113 0.000 1.012 228 T CB -0.016 68.924 68.868 0.120 0.000 0.977 228 T HN -0.060 nan 8.240 nan 0.000 0.527 229 S N 3.035 118.732 115.700 -0.005 0.000 3.036 229 S HA 0.303 4.773 4.470 -0.001 0.000 0.301 229 S C 1.036 175.643 174.600 0.013 0.000 1.205 229 S CA -0.535 57.636 58.200 -0.050 0.000 0.999 229 S CB 0.048 63.135 63.200 -0.189 0.000 1.337 229 S HN 0.710 nan 8.310 nan 0.000 0.515 230 T N -1.729 112.857 114.554 0.053 0.000 3.182 230 T HA 0.418 4.767 4.350 -0.001 0.000 0.277 230 T C 1.203 175.958 174.700 0.091 0.000 1.013 230 T CA 0.057 62.212 62.100 0.091 0.000 0.900 230 T CB 0.188 69.122 68.868 0.111 0.000 1.098 230 T HN 0.708 nan 8.240 nan 0.000 0.543 231 G N 2.174 111.029 108.800 0.092 0.000 2.249 231 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.273 231 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.273 231 G C 0.453 175.343 174.900 -0.016 0.000 1.036 231 G CA 0.338 45.477 45.100 0.065 0.000 0.824 231 G HN 0.525 nan 8.290 nan 0.000 0.504 232 D N 0.165 120.543 120.400 -0.037 0.000 2.117 232 D HA -0.070 4.569 4.640 -0.001 0.000 0.197 232 D C 2.437 178.668 176.300 -0.115 0.000 0.987 232 D CA 1.693 55.636 54.000 -0.095 0.000 0.829 232 D CB -0.712 39.947 40.800 -0.235 0.000 0.961 232 D HN 0.565 nan 8.370 nan 0.000 0.460 233 G N 0.065 108.799 108.800 -0.109 0.000 2.421 233 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.217 233 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.217 233 G C 1.649 176.498 174.900 -0.085 0.000 1.143 233 G CA 1.197 46.236 45.100 -0.102 0.000 0.784 233 G HN 0.238 nan 8.290 nan 0.000 0.541 234 T N 1.674 116.181 114.554 -0.079 0.000 2.777 234 T HA 0.046 4.395 4.350 -0.001 0.000 0.266 234 T C 2.780 177.415 174.700 -0.109 0.000 1.040 234 T CA 1.339 63.382 62.100 -0.096 0.000 1.141 234 T CB -0.263 68.535 68.868 -0.116 0.000 0.868 234 T HN 0.336 nan 8.240 nan 0.000 0.444 235 A N 1.487 124.249 122.820 -0.096 0.000 1.968 235 A HA 0.060 4.380 4.320 -0.001 0.000 0.217 235 A C 2.353 179.903 177.584 -0.057 0.000 1.169 235 A CA 1.089 53.081 52.037 -0.075 0.000 0.638 235 A CB -0.654 18.320 19.000 -0.044 0.000 0.812 235 A HN 0.423 nan 8.150 nan 0.000 0.446 236 M N -0.731 118.833 119.600 -0.060 0.000 2.117 236 M HA -0.140 4.339 4.480 -0.001 0.000 0.262 236 M C 2.126 178.395 176.300 -0.051 0.000 1.065 236 M CA 1.412 56.682 55.300 -0.050 0.000 1.114 236 M CB -0.579 31.984 32.600 -0.062 0.000 1.361 236 M HN 0.259 nan 8.290 nan 0.000 0.408 237 V N 0.140 120.014 119.914 -0.068 0.000 2.295 237 V HA -0.244 3.875 4.120 -0.001 0.000 0.246 237 V C 2.371 178.421 176.094 -0.072 0.000 1.049 237 V CA 2.273 64.530 62.300 -0.073 0.000 1.024 237 V CB -0.954 30.814 31.823 -0.092 0.000 0.648 237 V HN 0.502 nan 8.190 nan 0.000 0.447 238 T N -0.426 114.077 114.554 -0.085 0.000 2.684 238 T HA -0.236 4.113 4.350 -0.001 0.000 0.267 238 T C 2.032 176.709 174.700 -0.038 0.000 1.036 238 T CA 1.590 63.642 62.100 -0.081 0.000 1.148 238 T CB -0.287 68.522 68.868 -0.099 0.000 0.863 238 T HN 0.385 nan 8.240 nan 0.000 0.436 239 R N 0.740 121.223 120.500 -0.029 0.000 2.193 239 R HA 0.083 4.423 4.340 -0.001 0.000 0.229 239 R C 2.295 178.592 176.300 -0.005 0.000 1.110 239 R CA 0.973 57.067 56.100 -0.009 0.000 0.988 239 R CB -0.208 30.091 30.300 -0.002 0.000 0.871 239 R HN 0.315 nan 8.270 nan 0.000 0.458 240 A N -0.096 122.717 122.820 -0.012 0.000 2.278 240 A HA 0.223 4.543 4.320 -0.001 0.000 0.212 240 A C 1.297 178.885 177.584 0.006 0.000 1.213 240 A CA 0.658 52.691 52.037 -0.007 0.000 0.840 240 A CB -0.029 18.962 19.000 -0.016 0.000 0.866 240 A HN 0.416 nan 8.150 nan 0.000 0.489 241 G N -1.176 107.634 108.800 0.018 0.000 2.148 241 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.254 241 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.254 241 G C 0.085 175.049 174.900 0.107 0.000 0.981 241 G CA 0.464 45.602 45.100 0.063 0.000 0.670 241 G HN 0.448 nan 8.290 nan 0.000 0.528 242 L N 1.417 122.656 121.223 0.026 0.000 2.399 242 L HA 0.539 4.879 4.340 -0.001 0.000 0.265 242 L C -1.433 175.331 176.870 -0.177 0.000 1.089 242 L CA -2.294 52.539 54.840 -0.012 0.000 0.802 242 L CB 1.215 43.244 42.059 -0.050 0.000 1.180 242 L HN -0.033 nan 8.230 nan 0.000 0.454 243 P HA 0.185 nan 4.420 nan 0.000 0.281 243 P C -1.068 176.004 177.300 -0.380 0.000 1.249 243 P CA -0.509 62.176 63.100 -0.692 0.000 0.810 243 P CB 1.399 32.652 31.700 -0.744 0.000 1.008 244 C N 1.345 120.428 119.300 -0.361 0.000 2.345 244 C HA 0.590 5.050 4.460 -0.001 0.000 0.370 244 C C 0.236 175.113 174.990 -0.189 0.000 1.209 244 C CA 0.009 58.895 59.018 -0.220 0.000 2.133 244 C CB 1.189 28.817 27.740 -0.187 0.000 2.293 244 C HN 0.610 nan 8.230 nan 0.000 0.544 245 Q N 0.509 120.244 119.800 -0.109 0.000 2.331 245 Q HA 0.289 4.628 4.340 -0.001 0.000 0.272 245 Q C -1.094 174.939 176.000 0.056 0.000 1.062 245 Q CA -0.271 55.499 55.803 -0.054 0.000 0.806 245 Q CB 1.073 29.743 28.738 -0.113 0.000 1.312 245 Q HN 0.795 nan 8.270 nan 0.000 0.431 246 D N 3.033 123.528 120.400 0.158 0.000 2.772 246 D HA -0.209 4.430 4.640 -0.001 0.000 0.233 246 D C 0.613 177.096 176.300 0.304 0.000 1.143 246 D CA 0.885 55.093 54.000 0.345 0.000 0.700 246 D CB -0.862 40.178 40.800 0.400 0.000 1.076 246 D HN 0.682 nan 8.370 nan 0.000 0.430 247 L N 0.303 121.623 121.223 0.161 0.000 2.362 247 L HA -0.141 4.198 4.340 -0.001 0.000 0.219 247 L C 2.557 179.521 176.870 0.157 0.000 1.134 247 L CA 1.146 56.095 54.840 0.182 0.000 0.807 247 L CB -0.290 41.818 42.059 0.082 0.000 0.927 247 L HN 0.206 nan 8.230 nan 0.000 0.447 248 E N 0.595 120.797 120.200 0.004 0.000 2.418 248 E HA -0.170 4.179 4.350 -0.001 0.000 0.197 248 E C 0.232 176.690 176.600 -0.238 0.000 1.026 248 E CA 0.421 56.718 56.400 -0.172 0.000 0.862 248 E CB -0.260 29.166 29.700 -0.456 0.000 0.799 248 E HN 0.335 nan 8.360 nan 0.000 0.518 249 F N 1.899 121.891 119.950 0.071 0.000 2.423 249 F HA 0.213 4.740 4.527 -0.001 0.000 0.356 249 F C -0.109 175.707 175.800 0.026 0.000 1.170 249 F CA -0.606 57.442 58.000 0.080 0.000 1.163 249 F CB 1.042 40.097 39.000 0.092 0.000 1.318 249 F HN -0.288 nan 8.300 nan 0.000 0.569 250 V N 3.689 123.666 119.914 0.105 0.000 2.384 250 V HA 0.237 4.356 4.120 -0.001 0.000 0.287 250 V C -0.081 175.868 176.094 -0.241 0.000 1.020 250 V CA -0.939 61.272 62.300 -0.148 0.000 0.850 250 V CB 1.522 33.160 31.823 -0.307 0.000 0.987 250 V HN 0.605 nan 8.190 nan 0.000 0.436 251 Q N 3.835 123.523 119.800 -0.186 0.000 2.295 251 Q HA 0.413 4.752 4.340 -0.001 0.000 0.259 251 Q C -1.443 174.376 176.000 -0.302 0.000 0.976 251 Q CA -0.281 55.466 55.803 -0.095 0.000 0.923 251 Q CB 0.601 29.408 28.738 0.114 0.000 1.185 251 Q HN 0.612 nan 8.270 nan 0.000 0.410 252 F N 3.292 123.234 119.950 -0.014 0.000 2.405 252 F HA 0.209 4.736 4.527 -0.001 0.000 0.355 252 F C 0.530 176.322 175.800 -0.014 0.000 1.121 252 F CA -0.715 57.266 58.000 -0.031 0.000 1.112 252 F CB 0.778 39.729 39.000 -0.081 0.000 1.126 252 F HN 0.544 nan 8.300 nan 0.000 0.481 253 H N 5.538 124.616 119.070 0.013 0.000 2.722 253 H HA 0.153 4.709 4.556 -0.001 0.000 0.328 253 H C -1.863 173.427 175.328 -0.064 0.000 1.067 253 H CA -1.905 54.063 56.048 -0.134 0.000 1.447 253 H CB 1.861 31.364 29.762 -0.431 0.000 1.469 253 H HN 0.323 nan 8.280 nan 0.000 0.544 254 P HA -0.105 nan 4.420 nan 0.000 0.218 254 P C 0.239 177.614 177.300 0.126 0.000 1.148 254 P CA 1.690 64.786 63.100 -0.006 0.000 0.822 254 P CB 0.199 31.821 31.700 -0.131 0.000 0.784 255 T N -3.263 111.478 114.554 0.312 0.000 3.390 255 T HA 0.610 4.959 4.350 -0.001 0.000 0.351 255 T C 0.356 175.081 174.700 0.043 0.000 1.759 255 T CA -0.880 61.323 62.100 0.171 0.000 1.561 255 T CB 0.112 69.056 68.868 0.126 0.000 1.011 255 T HN -0.036 nan 8.240 nan 0.000 0.689 256 G N 1.681 110.498 108.800 0.028 0.000 2.400 256 G HA2 0.595 4.554 3.960 -0.001 0.000 0.301 256 G HA3 0.595 4.554 3.960 -0.001 0.000 0.301 256 G C -0.254 174.651 174.900 0.009 0.000 1.154 256 G CA -0.992 44.086 45.100 -0.036 0.000 0.852 256 G HN 0.814 nan 8.290 nan 0.000 0.511 257 I N 1.161 121.718 120.570 -0.022 0.000 2.648 257 I HA 0.081 4.251 4.170 -0.001 0.000 0.284 257 I C 0.049 176.189 176.117 0.038 0.000 1.153 257 I CA -0.672 60.640 61.300 0.021 0.000 1.426 257 I CB 0.491 38.492 38.000 0.001 0.000 1.381 257 I HN 0.525 nan 8.210 nan 0.000 0.571 258 Y N 7.563 127.824 120.300 -0.065 0.000 2.721 258 Y HA 0.298 4.848 4.550 -0.001 0.000 0.329 258 Y C 0.871 176.738 175.900 -0.054 0.000 1.211 258 Y CA 1.062 59.103 58.100 -0.098 0.000 1.512 258 Y CB 0.171 38.440 38.460 -0.319 0.000 1.249 258 Y HN 0.843 nan 8.280 nan 0.000 0.549 259 G N 3.979 112.390 108.800 -0.648 0.000 4.492 259 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.265 259 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.265 259 G C 1.155 175.918 174.900 -0.227 0.000 1.702 259 G CA 0.280 45.095 45.100 -0.475 0.000 1.266 259 G HN 1.353 nan 8.290 nan 0.000 0.643 260 A N 0.371 123.107 122.820 -0.141 0.000 2.015 260 A HA 0.433 4.752 4.320 -0.001 0.000 0.219 260 A C 3.117 180.579 177.584 -0.205 0.000 1.163 260 A CA 2.997 54.941 52.037 -0.154 0.000 0.646 260 A CB -0.905 17.984 19.000 -0.185 0.000 0.806 260 A HN 2.879 nan 8.150 nan 0.000 0.448 261 G N -2.392 106.305 108.800 -0.171 0.000 2.199 261 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.254 261 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.254 261 G C 0.375 175.176 174.900 -0.165 0.000 0.982 261 G CA 0.125 45.138 45.100 -0.145 0.000 0.632 261 G HN 0.787 nan 8.290 nan 0.000 0.529 262 C N 1.200 120.349 119.300 -0.251 0.000 2.611 262 C HA 0.428 4.888 4.460 -0.001 0.000 0.416 262 C C 1.297 176.187 174.990 -0.167 0.000 1.366 262 C CA -0.079 58.782 59.018 -0.261 0.000 1.761 262 C CB -0.359 27.116 27.740 -0.442 0.000 2.619 262 C HN 0.727 nan 8.230 nan 0.000 0.606 263 L N 5.013 126.153 121.223 -0.139 0.000 2.456 263 L HA 0.393 4.732 4.340 -0.001 0.000 0.272 263 L C -0.254 176.530 176.870 -0.144 0.000 1.189 263 L CA 0.812 55.540 54.840 -0.186 0.000 0.846 263 L CB 0.095 42.053 42.059 -0.169 0.000 1.111 263 L HN 0.474 nan 8.230 nan 0.000 0.475 264 I N 4.563 125.038 120.570 -0.158 0.000 2.411 264 I HA 0.132 4.302 4.170 -0.001 0.000 0.284 264 I C 0.385 176.469 176.117 -0.055 0.000 1.012 264 I CA -0.301 60.964 61.300 -0.059 0.000 1.119 264 I CB 1.032 39.027 38.000 -0.007 0.000 1.261 264 I HN 0.646 nan 8.210 nan 0.000 0.448 265 T N 4.145 118.696 114.554 -0.004 0.000 2.933 265 T HA -0.086 4.263 4.350 -0.001 0.000 0.306 265 T C 1.346 176.073 174.700 0.044 0.000 1.045 265 T CA 0.468 62.605 62.100 0.061 0.000 1.143 265 T CB 0.346 69.295 68.868 0.135 0.000 1.003 265 T HN 0.753 nan 8.240 nan 0.000 0.540 266 E N 2.697 122.899 120.200 0.003 0.000 2.333 266 E HA -0.067 4.283 4.350 -0.001 0.000 0.198 266 E C 2.049 178.389 176.600 -0.433 0.000 1.007 266 E CA 1.133 57.339 56.400 -0.324 0.000 0.845 266 E CB -0.682 28.590 29.700 -0.713 0.000 0.766 266 E HN 0.916 nan 8.360 nan 0.000 0.507 267 G N 0.200 108.932 108.800 -0.113 0.000 2.479 267 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.220 267 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.220 267 G C 1.550 176.477 174.900 0.046 0.000 1.115 267 G CA 0.822 46.002 45.100 0.133 0.000 0.757 267 G HN 0.391 nan 8.290 nan 0.000 0.560 268 C N -0.045 119.258 119.300 0.006 0.000 2.432 268 C HA 0.009 4.469 4.460 -0.001 0.000 0.277 268 C C 2.970 177.949 174.990 -0.019 0.000 1.249 268 C CA 0.822 59.843 59.018 0.005 0.000 1.725 268 C CB -0.744 26.999 27.740 0.006 0.000 2.028 268 C HN 0.487 nan 8.230 nan 0.000 0.477 269 R N 0.329 120.787 120.500 -0.071 0.000 2.115 269 R HA -0.020 4.320 4.340 -0.001 0.000 0.226 269 R C 2.437 178.696 176.300 -0.069 0.000 1.100 269 R CA 1.362 57.413 56.100 -0.082 0.000 0.980 269 R CB -0.607 29.607 30.300 -0.144 0.000 0.875 269 R HN 0.625 nan 8.270 nan 0.000 0.445 270 G N 1.027 109.775 108.800 -0.087 0.000 2.422 270 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.218 270 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.218 270 G C 1.140 176.085 174.900 0.075 0.000 1.140 270 G CA 0.379 45.476 45.100 -0.004 0.000 0.775 270 G HN 0.197 nan 8.290 nan 0.000 0.545 271 E N 0.137 120.383 120.200 0.078 0.000 2.489 271 E HA 0.170 4.519 4.350 -0.001 0.000 0.193 271 E C 1.757 178.390 176.600 0.055 0.000 1.057 271 E CA 0.630 57.086 56.400 0.094 0.000 0.866 271 E CB 0.333 30.085 29.700 0.086 0.000 0.916 271 E HN 0.486 nan 8.360 nan 0.000 0.500 272 G N 0.596 109.424 108.800 0.047 0.000 2.260 272 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.179 272 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.179 272 G C 0.678 175.652 174.900 0.123 0.000 1.002 272 G CA -0.282 44.861 45.100 0.073 0.000 0.677 272 G HN 0.458 nan 8.290 nan 0.000 0.486 273 G N 0.370 109.203 108.800 0.055 0.000 2.594 273 G HA2 0.615 4.574 3.960 -0.001 0.000 0.243 273 G HA3 0.615 4.574 3.960 -0.001 0.000 0.243 273 G C 0.249 175.187 174.900 0.064 0.000 1.229 273 G CA 0.400 45.555 45.100 0.092 0.000 0.843 273 G HN 1.512 nan 8.290 nan 0.000 0.578 274 I N -1.645 118.953 120.570 0.048 0.000 2.828 274 I HA 0.629 4.799 4.170 -0.001 0.000 0.302 274 I C -0.768 175.303 176.117 -0.077 0.000 1.101 274 I CA -1.368 59.895 61.300 -0.062 0.000 1.031 274 I CB 2.222 40.147 38.000 -0.125 0.000 1.231 274 I HN 0.237 nan 8.210 nan 0.000 0.427 275 L N 5.250 126.368 121.223 -0.174 0.000 2.312 275 L HA 0.629 4.969 4.340 -0.001 0.000 0.281 275 L C -0.193 176.567 176.870 -0.184 0.000 1.070 275 L CA -0.681 54.065 54.840 -0.156 0.000 0.805 275 L CB 1.494 43.368 42.059 -0.308 0.000 1.174 275 L HN 0.616 nan 8.230 nan 0.000 0.434 276 I N -0.487 120.167 120.570 0.141 0.000 2.865 276 I HA 0.588 4.758 4.170 -0.001 0.000 0.302 276 I C -0.840 175.546 176.117 0.447 0.000 1.140 276 I CA -0.904 60.556 61.300 0.267 0.000 1.021 276 I CB 2.188 40.297 38.000 0.182 0.000 1.233 276 I HN 0.572 nan 8.210 nan 0.000 0.427 277 N N 1.873 120.818 118.700 0.408 0.000 2.566 277 N HA 0.281 5.020 4.740 -0.001 0.000 0.299 277 N C 0.784 176.349 175.510 0.092 0.000 1.277 277 N CA -0.107 53.036 53.050 0.155 0.000 0.965 277 N CB 0.326 38.829 38.487 0.026 0.000 1.142 277 N HN 0.740 nan 8.380 nan 0.000 0.596 278 S N -1.880 113.813 115.700 -0.012 0.000 2.474 278 S HA -0.133 4.336 4.470 -0.001 0.000 0.235 278 S C 1.083 175.715 174.600 0.053 0.000 0.997 278 S CA 0.719 58.922 58.200 0.005 0.000 0.949 278 S CB -0.577 62.586 63.200 -0.063 0.000 0.766 278 S HN 0.647 nan 8.310 nan 0.000 0.517 279 Q N 0.477 120.310 119.800 0.054 0.000 2.360 279 Q HA 0.320 4.659 4.340 -0.001 0.000 0.202 279 Q C 1.237 177.285 176.000 0.079 0.000 0.915 279 Q CA 0.209 56.045 55.803 0.056 0.000 0.943 279 Q CB 0.174 28.937 28.738 0.042 0.000 1.064 279 Q HN 0.767 nan 8.270 nan 0.000 0.511 280 G N 1.759 110.627 108.800 0.114 0.000 2.162 280 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.260 280 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.260 280 G C -0.075 174.886 174.900 0.102 0.000 0.976 280 G CA 0.326 45.494 45.100 0.113 0.000 0.655 280 G HN 0.416 nan 8.290 nan 0.000 0.533 281 E N 0.325 120.602 120.200 0.129 0.000 2.289 281 E HA 0.349 4.699 4.350 -0.001 0.000 0.278 281 E C 0.660 177.349 176.600 0.148 0.000 1.032 281 E CA -0.823 55.653 56.400 0.127 0.000 0.854 281 E CB 0.327 30.115 29.700 0.147 0.000 1.046 281 E HN 0.313 nan 8.360 nan 0.000 0.409 282 R N 5.462 125.985 120.500 0.038 0.000 2.893 282 R HA 0.036 4.376 4.340 -0.001 0.000 0.243 282 R C 0.653 176.907 176.300 -0.077 0.000 1.481 282 R CA -0.134 55.911 56.100 -0.092 0.000 1.250 282 R CB -0.452 29.786 30.300 -0.103 0.000 1.213 282 R HN 0.561 nan 8.270 nan 0.000 0.609 283 F N 1.569 121.567 119.950 0.081 0.000 2.333 283 F HA -0.114 4.413 4.527 -0.001 0.000 0.300 283 F C 1.271 177.213 175.800 0.237 0.000 1.083 283 F CA 0.344 58.435 58.000 0.151 0.000 1.395 283 F CB -0.231 38.902 39.000 0.223 0.000 1.056 283 F HN 0.269 nan 8.300 nan 0.000 0.529 284 M N 1.053 120.537 119.600 -0.193 0.000 2.460 284 M HA -0.105 4.375 4.480 -0.001 0.000 0.263 284 M C 1.809 178.158 176.300 0.082 0.000 1.071 284 M CA 0.993 56.314 55.300 0.035 0.000 1.096 284 M CB -1.234 31.266 32.600 -0.167 0.000 1.408 284 M HN 0.411 nan 8.290 nan 0.000 0.463 285 E N -0.317 119.897 120.200 0.024 0.000 2.265 285 E HA -0.202 4.148 4.350 -0.001 0.000 0.196 285 E C 2.122 178.745 176.600 0.037 0.000 0.996 285 E CA 0.807 57.220 56.400 0.022 0.000 0.832 285 E CB -0.043 29.656 29.700 -0.001 0.000 0.756 285 E HN 0.470 nan 8.360 nan 0.000 0.491 286 R N -0.390 120.138 120.500 0.047 0.000 2.112 286 R HA -0.042 4.297 4.340 -0.001 0.000 0.216 286 R C 1.591 177.838 176.300 -0.088 0.000 1.080 286 R CA 0.672 56.736 56.100 -0.060 0.000 0.996 286 R CB 0.092 30.307 30.300 -0.141 0.000 0.902 286 R HN 0.140 nan 8.270 nan 0.000 0.449 287 Y N -0.589 119.769 120.300 0.098 0.000 2.365 287 Y HA 0.238 4.788 4.550 -0.001 0.000 0.293 287 Y C 0.696 176.649 175.900 0.088 0.000 1.119 287 Y CA 0.628 58.789 58.100 0.101 0.000 1.203 287 Y CB 0.526 39.069 38.460 0.139 0.000 1.026 287 Y HN 0.095 nan 8.280 nan 0.000 0.549 288 A N -0.519 122.435 122.820 0.224 0.000 3.127 288 A HA 0.412 4.731 4.320 -0.001 0.000 0.319 288 A C -2.195 175.452 177.584 0.105 0.000 1.104 288 A CA -1.200 50.936 52.037 0.164 0.000 0.802 288 A CB 0.235 19.334 19.000 0.165 0.000 1.193 288 A HN -0.012 nan 8.150 nan 0.000 0.479 289 P HA -0.211 nan 4.420 nan 0.000 0.218 289 P C 1.557 178.883 177.300 0.042 0.000 1.154 289 P CA 1.605 64.732 63.100 0.046 0.000 0.872 289 P CB 0.304 32.024 31.700 0.034 0.000 0.790 290 V N -0.410 119.537 119.914 0.054 0.000 2.283 290 V HA -0.058 4.062 4.120 -0.001 0.000 0.239 290 V C 2.422 178.549 176.094 0.055 0.000 1.035 290 V CA 2.069 64.398 62.300 0.048 0.000 1.018 290 V CB -1.695 30.157 31.823 0.049 0.000 0.658 290 V HN 0.051 nan 8.190 nan 0.000 0.459 291 A N -1.399 121.475 122.820 0.090 0.000 2.066 291 A HA -0.049 4.271 4.320 -0.001 0.000 0.218 291 A C 1.465 179.065 177.584 0.026 0.000 1.157 291 A CA 1.207 53.291 52.037 0.078 0.000 0.670 291 A CB -0.219 18.874 19.000 0.155 0.000 0.804 291 A HN 0.610 nan 8.150 nan 0.000 0.453 292 K N -1.523 118.895 120.400 0.031 0.000 1.824 292 K HA -0.296 4.023 4.320 -0.001 0.000 0.120 292 K C 0.399 176.966 176.600 -0.055 0.000 1.268 292 K CA 1.991 58.273 56.287 -0.008 0.000 0.420 292 K CB -1.363 31.119 32.500 -0.029 0.000 0.586 292 K HN 0.431 nan 8.250 nan 0.000 0.907 293 D N 0.958 121.300 120.400 -0.097 0.000 2.378 293 D HA 0.027 4.667 4.640 -0.001 0.000 0.227 293 D C 0.776 176.990 176.300 -0.143 0.000 1.012 293 D CA 0.735 54.653 54.000 -0.136 0.000 0.905 293 D CB -0.009 40.703 40.800 -0.147 0.000 0.895 293 D HN 0.185 nan 8.370 nan 0.000 0.532 294 L N 0.229 121.382 121.223 -0.118 0.000 3.017 294 L HA 0.408 4.747 4.340 -0.001 0.000 0.255 294 L C 0.695 177.471 176.870 -0.156 0.000 1.247 294 L CA -0.588 54.164 54.840 -0.146 0.000 1.038 294 L CB 0.201 42.196 42.059 -0.106 0.000 1.380 294 L HN -0.011 nan 8.230 nan 0.000 0.548 295 A N 0.076 122.793 122.820 -0.170 0.000 2.292 295 A HA 0.476 4.796 4.320 -0.001 0.000 0.265 295 A C 0.814 178.093 177.584 -0.507 0.000 1.133 295 A CA -0.098 51.766 52.037 -0.288 0.000 0.807 295 A CB 0.311 19.234 19.000 -0.128 0.000 1.102 295 A HN 0.372 nan 8.150 nan 0.000 0.502 296 S N -0.701 114.442 115.700 -0.928 0.000 2.576 296 S HA 0.157 4.626 4.470 -0.001 0.000 0.272 296 S C 0.937 175.327 174.600 -0.351 0.000 1.352 296 S CA 0.100 57.921 58.200 -0.632 0.000 1.021 296 S CB 0.440 63.229 63.200 -0.684 0.000 0.887 296 S HN 0.637 nan 8.310 nan 0.000 0.542 297 R N 1.087 121.431 120.500 -0.261 0.000 2.096 297 R HA -0.104 4.236 4.340 -0.001 0.000 0.235 297 R C 1.915 178.138 176.300 -0.129 0.000 1.127 297 R CA 1.698 57.671 56.100 -0.212 0.000 0.968 297 R CB -0.500 29.677 30.300 -0.205 0.000 0.861 297 R HN 0.900 nan 8.270 nan 0.000 0.440 298 D N 0.198 120.549 120.400 -0.083 0.000 2.144 298 D HA -0.116 4.524 4.640 -0.001 0.000 0.200 298 D C 1.787 178.045 176.300 -0.070 0.000 0.978 298 D CA 0.970 54.950 54.000 -0.032 0.000 0.833 298 D CB -0.392 40.426 40.800 0.030 0.000 0.961 298 D HN 0.078 nan 8.370 nan 0.000 0.470 299 V N 0.895 120.765 119.914 -0.073 0.000 2.379 299 V HA -0.176 3.943 4.120 -0.001 0.000 0.245 299 V C 2.929 178.971 176.094 -0.086 0.000 1.044 299 V CA 1.030 63.305 62.300 -0.043 0.000 1.036 299 V CB -0.218 31.613 31.823 0.013 0.000 0.664 299 V HN 0.091 nan 8.190 nan 0.000 0.453 300 V N -0.264 119.580 119.914 -0.117 0.000 2.343 300 V HA -0.232 3.887 4.120 -0.001 0.000 0.247 300 V C 2.572 178.606 176.094 -0.100 0.000 1.051 300 V CA 2.309 64.545 62.300 -0.107 0.000 1.036 300 V CB -0.705 31.036 31.823 -0.137 0.000 0.654 300 V HN 0.528 nan 8.190 nan 0.000 0.451 301 S N -0.654 114.978 115.700 -0.112 0.000 2.368 301 S HA -0.184 4.285 4.470 -0.001 0.000 0.225 301 S C 2.132 176.620 174.600 -0.187 0.000 1.030 301 S CA 1.438 59.569 58.200 -0.114 0.000 0.999 301 S CB -0.304 62.851 63.200 -0.074 0.000 0.844 301 S HN 0.501 nan 8.310 nan 0.000 0.459 302 R N 0.890 121.250 120.500 -0.234 0.000 2.081 302 R HA -0.021 4.318 4.340 -0.001 0.000 0.235 302 R C 2.602 178.813 176.300 -0.148 0.000 1.131 302 R CA 1.511 57.443 56.100 -0.281 0.000 0.960 302 R CB -0.420 29.718 30.300 -0.269 0.000 0.856 302 R HN 0.286 nan 8.270 nan 0.000 0.436 303 S N 0.937 116.472 115.700 -0.276 0.000 2.356 303 S HA -0.154 4.315 4.470 -0.001 0.000 0.223 303 S C 1.946 176.253 174.600 -0.489 0.000 1.032 303 S CA 1.415 59.202 58.200 -0.688 0.000 1.005 303 S CB -0.120 62.620 63.200 -0.767 0.000 0.867 303 S HN 0.253 nan 8.310 nan 0.000 0.449 304 M N 0.968 120.441 119.600 -0.211 0.000 2.117 304 M HA -0.112 4.367 4.480 -0.001 0.000 0.262 304 M C 2.356 178.538 176.300 -0.197 0.000 1.065 304 M CA 1.360 56.544 55.300 -0.193 0.000 1.114 304 M CB -1.074 31.517 32.600 -0.015 0.000 1.361 304 M HN 0.240 nan 8.290 nan 0.000 0.408 305 T N 1.127 115.611 114.554 -0.116 0.000 2.746 305 T HA -0.092 4.258 4.350 -0.001 0.000 0.267 305 T C 1.746 176.441 174.700 -0.008 0.000 1.039 305 T CA 1.297 63.378 62.100 -0.032 0.000 1.142 305 T CB -0.360 68.523 68.868 0.025 0.000 0.866 305 T HN 0.310 nan 8.240 nan 0.000 0.444 306 I N 0.894 121.466 120.570 0.002 0.000 2.179 306 I HA -0.137 4.032 4.170 -0.001 0.000 0.242 306 I C 2.748 178.815 176.117 -0.083 0.000 1.088 306 I CA 1.072 62.361 61.300 -0.018 0.000 1.357 306 I CB -0.353 37.682 38.000 0.059 0.000 1.051 306 I HN 0.125 nan 8.210 nan 0.000 0.409 307 E N 0.908 120.991 120.200 -0.195 0.000 2.097 307 E HA -0.228 4.121 4.350 -0.001 0.000 0.196 307 E C 2.267 178.738 176.600 -0.216 0.000 1.000 307 E CA 1.539 57.777 56.400 -0.271 0.000 0.804 307 E CB -0.335 28.979 29.700 -0.642 0.000 0.740 307 E HN 0.552 nan 8.360 nan 0.000 0.454 308 I N 0.593 121.044 120.570 -0.199 0.000 2.252 308 I HA -0.236 3.933 4.170 -0.001 0.000 0.245 308 I C 2.569 178.621 176.117 -0.109 0.000 1.102 308 I CA 0.922 62.130 61.300 -0.154 0.000 1.385 308 I CB -0.200 37.725 38.000 -0.125 0.000 1.064 308 I HN -0.008 nan 8.210 nan 0.000 0.414 309 R N 0.786 121.233 120.500 -0.088 0.000 2.120 309 R HA -0.151 4.188 4.340 -0.001 0.000 0.234 309 R C 1.476 177.729 176.300 -0.079 0.000 1.123 309 R CA 1.143 57.195 56.100 -0.078 0.000 0.975 309 R CB -0.294 29.953 30.300 -0.089 0.000 0.866 309 R HN 0.489 nan 8.270 nan 0.000 0.446 310 E N -0.460 119.692 120.200 -0.080 0.000 2.476 310 E HA 0.063 4.412 4.350 -0.001 0.000 0.191 310 E C 0.589 177.146 176.600 -0.071 0.000 1.064 310 E CA 0.296 56.655 56.400 -0.069 0.000 0.866 310 E CB 0.618 30.286 29.700 -0.053 0.000 0.952 310 E HN 0.533 nan 8.360 nan 0.000 0.492 311 G N 2.204 110.954 108.800 -0.084 0.000 2.141 311 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.242 311 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.242 311 G C 0.675 175.518 174.900 -0.095 0.000 0.982 311 G CA -0.084 44.967 45.100 -0.082 0.000 0.662 311 G HN 0.250 nan 8.290 nan 0.000 0.527 312 R N 0.416 120.845 120.500 -0.119 0.000 2.609 312 R HA 0.388 4.727 4.340 -0.001 0.000 0.326 312 R C 1.367 177.556 176.300 -0.184 0.000 1.090 312 R CA 0.213 56.237 56.100 -0.128 0.000 1.072 312 R CB 0.626 30.858 30.300 -0.113 0.000 1.330 312 R HN 0.342 nan 8.270 nan 0.000 0.572 313 G N 0.195 108.869 108.800 -0.210 0.000 2.507 313 G HA2 0.281 4.241 3.960 -0.001 0.000 0.271 313 G HA3 0.281 4.241 3.960 -0.001 0.000 0.271 313 G C -0.007 174.669 174.900 -0.373 0.000 1.189 313 G CA -0.410 44.509 45.100 -0.301 0.000 0.859 313 G HN 0.185 nan 8.290 nan 0.000 0.542 314 C N -0.681 118.247 119.300 -0.619 0.000 2.354 314 C HA 1.000 5.459 4.460 -0.001 0.000 0.381 314 C C 1.005 175.482 174.990 -0.854 0.000 1.240 314 C CA 0.504 59.107 59.018 -0.691 0.000 2.089 314 C CB 0.496 27.616 27.740 -1.033 0.000 2.234 314 C HN 1.668 nan 8.230 nan 0.000 0.544 315 G N 1.632 110.180 108.800 -0.420 0.000 2.746 315 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.685 315 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.685 315 G C -1.670 173.172 174.900 -0.097 0.000 1.350 315 G CA -0.091 44.906 45.100 -0.172 0.000 0.837 315 G HN 0.506 nan 8.290 nan 0.000 0.564 316 P HA -0.023 nan 4.420 nan 0.000 0.220 316 P C 0.853 178.152 177.300 -0.002 0.000 1.148 316 P CA 1.528 64.638 63.100 0.017 0.000 0.803 316 P CB 0.191 31.927 31.700 0.060 0.000 0.782 317 E N -0.259 119.938 120.200 -0.006 0.000 2.481 317 E HA 0.075 4.424 4.350 -0.001 0.000 0.198 317 E C 0.380 176.933 176.600 -0.077 0.000 1.027 317 E CA -0.258 56.140 56.400 -0.003 0.000 0.900 317 E CB -0.112 29.636 29.700 0.080 0.000 0.993 317 E HN 0.292 nan 8.360 nan 0.000 0.482 318 K N 1.677 121.972 120.400 -0.176 0.000 3.071 318 K HA -0.179 4.140 4.320 -0.001 0.000 0.262 318 K C -0.126 176.329 176.600 -0.241 0.000 0.977 318 K CA 1.109 57.252 56.287 -0.241 0.000 0.721 318 K CB -1.088 31.323 32.500 -0.149 0.000 1.293 318 K HN 0.226 nan 8.250 nan 0.000 0.475 319 D N -0.736 119.494 120.400 -0.283 0.000 2.469 319 D HA 0.006 4.645 4.640 -0.001 0.000 0.215 319 D C 0.582 176.800 176.300 -0.137 0.000 1.154 319 D CA 0.074 53.992 54.000 -0.137 0.000 0.832 319 D CB 0.110 40.941 40.800 0.052 0.000 1.008 319 D HN 0.601 nan 8.370 nan 0.000 0.506 320 H N -1.723 117.156 119.070 -0.318 0.000 2.942 320 H HA 0.657 5.213 4.556 -0.001 0.000 0.316 320 H C -0.611 174.529 175.328 -0.314 0.000 1.323 320 H CA -0.967 54.908 56.048 -0.289 0.000 1.144 320 H CB 1.307 30.800 29.762 -0.449 0.000 1.866 320 H HN -0.088 nan 8.280 nan 0.000 0.545 321 V N -2.137 117.732 119.914 -0.074 0.000 3.184 321 V HA 0.593 4.713 4.120 -0.001 0.000 0.308 321 V C -1.097 174.977 176.094 -0.035 0.000 1.243 321 V CA -1.086 61.133 62.300 -0.136 0.000 1.058 321 V CB 1.662 33.511 31.823 0.043 0.000 1.183 321 V HN 0.768 nan 8.190 nan 0.000 0.471 322 Y N 0.143 120.552 120.300 0.182 0.000 2.429 322 Y HA 0.737 5.286 4.550 -0.001 0.000 0.342 322 Y C -0.513 175.456 175.900 0.114 0.000 1.004 322 Y CA -0.965 57.225 58.100 0.151 0.000 1.075 322 Y CB 2.252 40.790 38.460 0.131 0.000 1.214 322 Y HN 0.611 nan 8.280 nan 0.000 0.455 323 L N 4.383 125.776 121.223 0.283 0.000 2.280 323 L HA 0.373 4.712 4.340 -0.001 0.000 0.287 323 L C -0.665 176.267 176.870 0.104 0.000 1.023 323 L CA -0.414 54.513 54.840 0.146 0.000 0.819 323 L CB 1.298 43.424 42.059 0.111 0.000 1.212 323 L HN 0.666 nan 8.230 nan 0.000 0.420 324 Q N 4.798 124.630 119.800 0.053 0.000 2.314 324 Q HA 0.426 4.765 4.340 -0.001 0.000 0.259 324 Q C -0.680 175.327 176.000 0.012 0.000 0.951 324 Q CA -0.353 55.429 55.803 -0.035 0.000 0.909 324 Q CB 1.089 29.744 28.738 -0.139 0.000 1.236 324 Q HN 0.940 nan 8.270 nan 0.000 0.444 325 L N 3.877 125.067 121.223 -0.054 0.000 2.920 325 L HA 0.112 4.451 4.340 -0.001 0.000 0.257 325 L C 1.678 178.439 176.870 -0.182 0.000 1.150 325 L CA -0.198 54.572 54.840 -0.116 0.000 0.959 325 L CB -0.020 42.007 42.059 -0.055 0.000 1.321 325 L HN 0.769 nan 8.230 nan 0.000 0.555 326 H N -0.228 118.868 119.070 0.044 0.000 2.561 326 H HA -0.085 4.470 4.556 -0.001 0.000 0.278 326 H C 1.583 176.930 175.328 0.032 0.000 1.014 326 H CA 0.998 57.057 56.048 0.018 0.000 1.211 326 H CB -0.268 29.512 29.762 0.030 0.000 1.365 326 H HN 0.553 nan 8.280 nan 0.000 0.594 327 H N 0.420 119.471 119.070 -0.032 0.000 2.551 327 H HA 0.233 4.788 4.556 -0.001 0.000 0.266 327 H C 0.554 175.895 175.328 0.020 0.000 0.977 327 H CA -0.318 55.748 56.048 0.030 0.000 1.163 327 H CB -0.240 29.505 29.762 -0.029 0.000 1.381 327 H HN 0.249 nan 8.280 nan 0.000 0.581 328 L N 2.108 123.080 121.223 -0.417 0.000 2.399 328 L HA 0.323 4.663 4.340 -0.001 0.000 0.266 328 L C -2.089 174.722 176.870 -0.098 0.000 1.114 328 L CA -2.175 52.504 54.840 -0.268 0.000 0.804 328 L CB 0.761 42.638 42.059 -0.304 0.000 1.146 328 L HN -0.042 nan 8.230 nan 0.000 0.451 329 P HA 0.060 nan 4.420 nan 0.000 0.267 329 P C -1.994 175.290 177.300 -0.027 0.000 1.205 329 P CA -1.066 62.018 63.100 -0.026 0.000 0.765 329 P CB 0.147 31.836 31.700 -0.018 0.000 0.828 330 P HA -0.221 nan 4.420 nan 0.000 0.219 330 P C 1.365 178.656 177.300 -0.016 0.000 1.146 330 P CA 1.287 64.379 63.100 -0.013 0.000 0.808 330 P CB 0.249 31.945 31.700 -0.005 0.000 0.779 331 Q N 0.538 120.328 119.800 -0.018 0.000 2.167 331 Q HA -0.161 4.179 4.340 -0.001 0.000 0.202 331 Q C 2.411 178.394 176.000 -0.028 0.000 0.970 331 Q CA 1.568 57.358 55.803 -0.021 0.000 0.855 331 Q CB -0.940 27.786 28.738 -0.020 0.000 0.911 331 Q HN 0.270 nan 8.270 nan 0.000 0.438 332 Q N -0.657 119.126 119.800 -0.029 0.000 2.119 332 Q HA -0.102 4.238 4.340 -0.001 0.000 0.201 332 Q C 1.904 177.888 176.000 -0.026 0.000 0.972 332 Q CA 1.147 56.931 55.803 -0.032 0.000 0.847 332 Q CB -0.018 28.703 28.738 -0.028 0.000 0.903 332 Q HN 0.473 nan 8.270 nan 0.000 0.433 333 L N -0.036 121.172 121.223 -0.025 0.000 2.056 333 L HA -0.127 4.212 4.340 -0.001 0.000 0.207 333 L C 2.527 179.391 176.870 -0.010 0.000 1.078 333 L CA 1.005 55.836 54.840 -0.016 0.000 0.749 333 L CB -0.568 41.481 42.059 -0.017 0.000 0.901 333 L HN 0.249 nan 8.230 nan 0.000 0.433 334 A N -0.715 122.096 122.820 -0.014 0.000 1.968 334 A HA -0.130 4.189 4.320 -0.001 0.000 0.217 334 A C 2.329 179.901 177.584 -0.019 0.000 1.169 334 A CA 2.016 54.045 52.037 -0.014 0.000 0.638 334 A CB -0.589 18.402 19.000 -0.015 0.000 0.812 334 A HN 0.349 nan 8.150 nan 0.000 0.446 335 T N -0.891 113.645 114.554 -0.030 0.000 2.937 335 T HA 0.007 4.356 4.350 -0.001 0.000 0.260 335 T C 2.004 176.676 174.700 -0.046 0.000 1.051 335 T CA 0.905 62.977 62.100 -0.047 0.000 1.141 335 T CB -0.043 68.781 68.868 -0.073 0.000 0.879 335 T HN 0.322 nan 8.240 nan 0.000 0.459 336 R N 0.553 121.035 120.500 -0.031 0.000 2.206 336 R HA 0.326 4.666 4.340 -0.001 0.000 0.198 336 R C 0.834 177.162 176.300 0.046 0.000 0.986 336 R CA 0.475 56.578 56.100 0.006 0.000 1.029 336 R CB -0.077 30.241 30.300 0.031 0.000 0.966 336 R HN 0.346 nan 8.270 nan 0.000 0.487 337 L N 2.236 123.476 121.223 0.029 0.000 3.186 337 L HA 0.265 4.605 4.340 -0.001 0.000 0.292 337 L C -1.629 175.254 176.870 0.022 0.000 1.303 337 L CA -0.954 53.907 54.840 0.036 0.000 0.940 337 L CB 1.345 43.425 42.059 0.035 0.000 1.358 337 L HN -0.113 nan 8.230 nan 0.000 0.581 338 P HA -0.127 nan 4.420 nan 0.000 0.218 338 P C 1.530 178.834 177.300 0.007 0.000 1.149 338 P CA 1.480 64.583 63.100 0.005 0.000 0.817 338 P CB 0.417 32.114 31.700 -0.005 0.000 0.785 339 G N 1.345 110.151 108.800 0.010 0.000 2.404 339 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.215 339 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.215 339 G C 1.517 176.434 174.900 0.030 0.000 1.174 339 G CA 1.098 46.204 45.100 0.010 0.000 0.780 339 G HN 0.375 nan 8.290 nan 0.000 0.537 340 I N -0.726 119.865 120.570 0.035 0.000 2.676 340 I HA 0.080 4.249 4.170 -0.001 0.000 0.259 340 I C 2.399 178.545 176.117 0.048 0.000 1.194 340 I CA 1.378 62.704 61.300 0.044 0.000 1.473 340 I CB -0.498 37.525 38.000 0.039 0.000 1.096 340 I HN -0.036 nan 8.210 nan 0.000 0.443 341 S N 0.810 116.531 115.700 0.036 0.000 2.368 341 S HA -0.232 4.237 4.470 -0.001 0.000 0.225 341 S C 1.941 176.563 174.600 0.037 0.000 1.030 341 S CA 1.857 60.077 58.200 0.032 0.000 0.999 341 S CB -0.406 62.805 63.200 0.019 0.000 0.844 341 S HN 0.703 nan 8.310 nan 0.000 0.459 342 E N 1.131 121.352 120.200 0.035 0.000 2.072 342 E HA -0.088 4.261 4.350 -0.001 0.000 0.190 342 E C 2.019 178.660 176.600 0.068 0.000 0.982 342 E CA 1.675 58.096 56.400 0.034 0.000 0.803 342 E CB -0.585 29.128 29.700 0.022 0.000 0.755 342 E HN 0.353 nan 8.360 nan 0.000 0.453 343 T N 0.308 114.929 114.554 0.112 0.000 2.746 343 T HA -0.121 4.229 4.350 -0.001 0.000 0.267 343 T C 1.824 176.663 174.700 0.231 0.000 1.039 343 T CA 1.435 63.669 62.100 0.224 0.000 1.142 343 T CB -0.540 68.433 68.868 0.176 0.000 0.866 343 T HN 0.362 nan 8.240 nan 0.000 0.444 344 A N 1.282 124.184 122.820 0.137 0.000 1.940 344 A HA -0.119 4.200 4.320 -0.001 0.000 0.219 344 A C 2.221 179.864 177.584 0.099 0.000 1.176 344 A CA 1.925 54.034 52.037 0.121 0.000 0.631 344 A CB -0.618 18.432 19.000 0.084 0.000 0.814 344 A HN 0.418 nan 8.150 nan 0.000 0.446 345 M N 0.099 119.736 119.600 0.062 0.000 2.123 345 M HA 0.030 4.509 4.480 -0.001 0.000 0.263 345 M C 1.831 178.121 176.300 -0.018 0.000 1.069 345 M CA 1.495 56.809 55.300 0.022 0.000 1.133 345 M CB -0.691 31.912 32.600 0.005 0.000 1.356 345 M HN 0.381 nan 8.290 nan 0.000 0.415 346 I N -1.040 119.496 120.570 -0.057 0.000 2.179 346 I HA -0.275 3.895 4.170 -0.001 0.000 0.242 346 I C 1.506 177.402 176.117 -0.368 0.000 1.088 346 I CA 1.396 62.541 61.300 -0.259 0.000 1.357 346 I CB -0.418 37.330 38.000 -0.420 0.000 1.051 346 I HN 0.176 nan 8.210 nan 0.000 0.409 347 F N -0.233 119.723 119.950 0.010 0.000 2.746 347 F HA 0.264 4.791 4.527 -0.001 0.000 0.297 347 F C 1.817 177.627 175.800 0.017 0.000 1.113 347 F CA 0.459 58.465 58.000 0.009 0.000 1.367 347 F CB 0.164 39.166 39.000 0.003 0.000 1.111 347 F HN -0.055 nan 8.300 nan 0.000 0.590 348 A N -0.821 122.095 122.820 0.159 0.000 2.653 348 A HA 0.520 4.840 4.320 -0.001 0.000 0.248 348 A C 1.582 179.216 177.584 0.083 0.000 1.211 348 A CA 0.386 52.499 52.037 0.126 0.000 0.991 348 A CB -0.515 18.567 19.000 0.137 0.000 1.252 348 A HN 0.369 nan 8.150 nan 0.000 0.593 349 G N -0.283 108.547 108.800 0.051 0.000 2.225 349 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.267 349 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.267 349 G C 0.115 175.036 174.900 0.035 0.000 1.024 349 G CA 0.540 45.657 45.100 0.028 0.000 0.784 349 G HN 0.957 nan 8.290 nan 0.000 0.507 350 V N 0.524 120.466 119.914 0.046 0.000 2.472 350 V HA 0.476 4.596 4.120 -0.001 0.000 0.290 350 V C 0.013 176.126 176.094 0.033 0.000 1.037 350 V CA -0.734 61.591 62.300 0.042 0.000 0.908 350 V CB 1.927 33.786 31.823 0.061 0.000 0.985 350 V HN 0.355 nan 8.190 nan 0.000 0.454 351 D N 3.532 123.945 120.400 0.022 0.000 2.359 351 D HA 0.159 4.798 4.640 -0.001 0.000 0.230 351 D C 0.972 177.290 176.300 0.030 0.000 1.118 351 D CA -0.375 53.636 54.000 0.018 0.000 0.844 351 D CB 1.873 42.676 40.800 0.005 0.000 1.059 351 D HN 0.364 nan 8.370 nan 0.000 0.493 352 V N 2.157 122.094 119.914 0.038 0.000 2.913 352 V HA -0.132 3.988 4.120 -0.001 0.000 0.260 352 V C 1.793 177.929 176.094 0.069 0.000 1.098 352 V CA 1.921 64.254 62.300 0.054 0.000 1.121 352 V CB -1.476 30.372 31.823 0.041 0.000 0.714 352 V HN 0.653 nan 8.190 nan 0.000 0.487 353 T N -2.850 111.732 114.554 0.047 0.000 3.088 353 T HA 0.106 4.455 4.350 -0.001 0.000 0.259 353 T C 1.520 176.252 174.700 0.055 0.000 1.122 353 T CA 1.056 63.187 62.100 0.052 0.000 1.095 353 T CB -0.126 68.755 68.868 0.021 0.000 0.930 353 T HN 0.612 nan 8.240 nan 0.000 0.508 354 K N -0.352 120.060 120.400 0.020 0.000 2.462 354 K HA 0.291 4.611 4.320 -0.001 0.000 0.201 354 K C 0.176 176.681 176.600 -0.158 0.000 1.268 354 K CA 0.099 56.334 56.287 -0.086 0.000 0.933 354 K CB 0.785 33.243 32.500 -0.070 0.000 1.162 354 K HN 0.189 nan 8.250 nan 0.000 0.527 355 E N 0.734 120.933 120.200 -0.002 0.000 2.393 355 E HA 0.328 4.678 4.350 -0.001 0.000 0.273 355 E C -2.786 173.875 176.600 0.101 0.000 0.918 355 E CA -2.166 54.239 56.400 0.008 0.000 0.773 355 E CB 2.131 31.802 29.700 -0.048 0.000 1.275 355 E HN -0.119 nan 8.360 nan 0.000 0.451 356 P HA 0.350 nan 4.420 nan 0.000 0.276 356 P C -0.165 177.143 177.300 0.013 0.000 1.244 356 P CA -0.335 62.748 63.100 -0.028 0.000 0.801 356 P CB 0.911 32.479 31.700 -0.219 0.000 1.006 357 I N 2.791 123.432 120.570 0.119 0.000 2.353 357 I HA 0.250 4.419 4.170 -0.001 0.000 0.293 357 I C -1.923 174.369 176.117 0.292 0.000 0.992 357 I CA -2.655 58.744 61.300 0.164 0.000 1.268 357 I CB 1.489 39.562 38.000 0.123 0.000 1.387 357 I HN 0.143 nan 8.210 nan 0.000 0.478 358 P HA 0.195 nan 4.420 nan 0.000 0.282 358 P C -0.852 176.517 177.300 0.114 0.000 1.262 358 P CA -0.055 63.167 63.100 0.203 0.000 0.773 358 P CB 1.319 32.957 31.700 -0.102 0.000 0.879 359 V N 2.401 122.400 119.914 0.140 0.000 3.159 359 V HA 0.868 4.987 4.120 -0.001 0.000 0.308 359 V C -0.593 175.593 176.094 0.154 0.000 1.190 359 V CA -1.206 61.178 62.300 0.139 0.000 1.037 359 V CB 2.039 33.940 31.823 0.130 0.000 1.060 359 V HN 0.625 nan 8.190 nan 0.000 0.437 360 L N -2.290 119.020 121.223 0.146 0.000 2.710 360 L HA 0.834 5.173 4.340 -0.001 0.000 0.260 360 L C -3.208 173.729 176.870 0.113 0.000 0.993 360 L CA -1.962 52.957 54.840 0.132 0.000 0.877 360 L CB 2.005 44.171 42.059 0.178 0.000 1.461 360 L HN 0.442 nan 8.230 nan 0.000 0.413 361 P HA 0.226 nan 4.420 nan 0.000 0.264 361 P C -1.085 176.312 177.300 0.162 0.000 1.193 361 P CA 0.463 63.627 63.100 0.107 0.000 0.763 361 P CB 0.770 32.483 31.700 0.021 0.000 0.810 362 T N 2.301 116.971 114.554 0.192 0.000 2.971 362 T HA 0.219 4.569 4.350 -0.001 0.000 0.304 362 T C -0.271 174.485 174.700 0.095 0.000 1.038 362 T CA -0.576 61.614 62.100 0.149 0.000 1.007 362 T CB 0.926 69.831 68.868 0.060 0.000 1.055 362 T HN -0.030 nan 8.240 nan 0.000 0.451 363 V N 3.352 123.236 119.914 -0.051 0.000 2.681 363 V HA 0.009 4.128 4.120 -0.001 0.000 0.306 363 V C 1.047 177.055 176.094 -0.143 0.000 1.077 363 V CA 1.149 63.212 62.300 -0.396 0.000 1.224 363 V CB 0.271 31.709 31.823 -0.642 0.000 0.879 363 V HN 1.082 nan 8.190 nan 0.000 0.494 364 H N 3.417 122.334 119.070 -0.255 0.000 3.412 364 H HA 0.282 4.837 4.556 -0.001 0.000 0.233 364 H C -0.466 174.845 175.328 -0.028 0.000 0.953 364 H CA 0.168 56.161 56.048 -0.091 0.000 1.049 364 H CB 0.673 30.462 29.762 0.045 0.000 1.406 364 H HN 0.598 nan 8.280 nan 0.000 0.557 365 Y N 0.439 120.580 120.300 -0.265 0.000 2.558 365 Y HA 0.377 4.927 4.550 -0.001 0.000 0.333 365 Y C -1.934 173.796 175.900 -0.285 0.000 1.125 365 Y CA -1.174 56.740 58.100 -0.309 0.000 1.039 365 Y CB 1.318 39.638 38.460 -0.232 0.000 1.331 365 Y HN 0.106 nan 8.280 nan 0.000 0.456 366 N N 5.067 123.115 118.700 -1.086 0.000 2.469 366 N HA 0.275 5.014 4.740 -0.001 0.000 0.253 366 N C 0.223 175.387 175.510 -0.578 0.000 0.970 366 N CA -0.546 52.060 53.050 -0.740 0.000 0.940 366 N CB 1.274 39.270 38.487 -0.819 0.000 1.128 366 N HN 0.675 nan 8.380 nan 0.000 0.503 367 M N 0.793 120.357 119.600 -0.060 0.000 2.175 367 M HA 0.038 4.517 4.480 -0.001 0.000 0.264 367 M C 1.403 177.776 176.300 0.122 0.000 1.063 367 M CA 0.799 56.209 55.300 0.183 0.000 1.119 367 M CB -0.251 32.489 32.600 0.232 0.000 1.377 367 M HN 0.590 nan 8.290 nan 0.000 0.415 368 G N -1.103 107.768 108.800 0.119 0.000 2.651 368 G HA2 0.507 4.466 3.960 -0.001 0.000 0.260 368 G HA3 0.507 4.466 3.960 -0.001 0.000 0.260 368 G C 0.158 175.106 174.900 0.079 0.000 1.216 368 G CA -0.080 45.099 45.100 0.133 0.000 0.913 368 G HN 0.578 nan 8.290 nan 0.000 0.535 369 G N -1.417 107.411 108.800 0.046 0.000 2.404 369 G HA2 0.300 4.260 3.960 -0.001 0.000 0.253 369 G HA3 0.300 4.260 3.960 -0.001 0.000 0.253 369 G C -1.027 173.841 174.900 -0.054 0.000 1.253 369 G CA -0.864 44.242 45.100 0.009 0.000 0.917 369 G HN 0.729 nan 8.290 nan 0.000 0.480 370 I N 3.474 124.000 120.570 -0.074 0.000 2.452 370 I HA 0.270 4.440 4.170 -0.001 0.000 0.287 370 I C -1.724 174.319 176.117 -0.123 0.000 1.079 370 I CA -1.502 59.735 61.300 -0.104 0.000 1.387 370 I CB 1.438 39.380 38.000 -0.097 0.000 1.404 370 I HN 0.154 nan 8.210 nan 0.000 0.522 371 P HA 0.104 nan 4.420 nan 0.000 0.271 371 P C -0.499 176.706 177.300 -0.159 0.000 1.216 371 P CA -0.040 62.961 63.100 -0.164 0.000 0.771 371 P CB 0.947 32.545 31.700 -0.171 0.000 0.864 372 T N -0.315 114.134 114.554 -0.175 0.000 2.865 372 T HA 0.533 4.882 4.350 -0.001 0.000 0.294 372 T C -0.045 174.561 174.700 -0.156 0.000 1.119 372 T CA -0.845 61.150 62.100 -0.174 0.000 1.007 372 T CB 1.076 69.831 68.868 -0.188 0.000 1.225 372 T HN 0.416 nan 8.240 nan 0.000 0.515 373 N N -0.285 118.325 118.700 -0.151 0.000 2.538 373 N HA 0.211 4.950 4.740 -0.001 0.000 0.292 373 N C 0.753 176.197 175.510 -0.110 0.000 1.262 373 N CA -0.927 52.063 53.050 -0.100 0.000 0.976 373 N CB -0.251 38.163 38.487 -0.122 0.000 1.161 373 N HN 0.908 nan 8.380 nan 0.000 0.598 374 Y N -2.391 117.872 120.300 -0.063 0.000 2.616 374 Y HA 0.303 4.852 4.550 -0.001 0.000 0.296 374 Y C 0.799 176.682 175.900 -0.028 0.000 1.154 374 Y CA 0.528 58.620 58.100 -0.013 0.000 1.325 374 Y CB -0.094 38.378 38.460 0.020 0.000 1.007 374 Y HN 0.391 nan 8.280 nan 0.000 0.542 375 K N 0.416 120.451 120.400 -0.607 0.000 2.374 375 K HA 0.305 4.624 4.320 -0.001 0.000 0.196 375 K C 1.336 177.873 176.600 -0.104 0.000 1.023 375 K CA 0.475 56.487 56.287 -0.459 0.000 1.103 375 K CB 0.299 32.497 32.500 -0.504 0.000 0.848 375 K HN 0.562 nan 8.250 nan 0.000 0.528 376 G N 1.623 110.387 108.800 -0.060 0.000 2.175 376 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.244 376 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.244 376 G C -0.239 174.632 174.900 -0.050 0.000 0.982 376 G CA -0.235 44.890 45.100 0.041 0.000 0.641 376 G HN 0.343 nan 8.290 nan 0.000 0.527 377 Q N 0.320 119.963 119.800 -0.262 0.000 2.288 377 Q HA 0.547 4.887 4.340 -0.001 0.000 0.254 377 Q C 0.469 176.254 176.000 -0.357 0.000 0.932 377 Q CA -0.552 54.905 55.803 -0.577 0.000 0.902 377 Q CB 2.256 30.667 28.738 -0.545 0.000 1.203 377 Q HN 0.166 nan 8.270 nan 0.000 0.415 378 V N 4.480 124.182 119.914 -0.353 0.000 2.715 378 V HA 0.202 4.321 4.120 -0.001 0.000 0.299 378 V C 0.293 176.276 176.094 -0.186 0.000 1.054 378 V CA 0.067 62.235 62.300 -0.219 0.000 1.077 378 V CB 0.203 31.918 31.823 -0.181 0.000 0.972 378 V HN 0.615 nan 8.190 nan 0.000 0.484 379 I N 1.443 121.932 120.570 -0.135 0.000 2.892 379 I HA 0.832 5.001 4.170 -0.001 0.000 0.306 379 I C -0.289 175.798 176.117 -0.051 0.000 1.078 379 I CA -0.391 60.856 61.300 -0.089 0.000 1.032 379 I CB 2.400 40.362 38.000 -0.064 0.000 1.229 379 I HN 0.537 nan 8.210 nan 0.000 0.435 380 T N 0.380 114.929 114.554 -0.009 0.000 2.883 380 T HA 0.510 4.859 4.350 -0.001 0.000 0.284 380 T C -1.544 173.230 174.700 0.123 0.000 1.041 380 T CA -0.355 61.770 62.100 0.043 0.000 1.007 380 T CB 1.177 70.072 68.868 0.045 0.000 1.220 380 T HN 0.813 nan 8.240 nan 0.000 0.552 381 H N 0.196 119.287 119.070 0.035 0.000 3.013 381 H HA 0.644 5.200 4.556 -0.001 0.000 0.326 381 H C -1.574 173.779 175.328 0.041 0.000 0.973 381 H CA -0.351 55.719 56.048 0.036 0.000 1.369 381 H CB 0.888 30.683 29.762 0.055 0.000 1.598 381 H HN 0.373 nan 8.280 nan 0.000 0.518 382 V N 5.287 125.092 119.914 -0.183 0.000 2.483 382 V HA 0.225 4.344 4.120 -0.001 0.000 0.297 382 V C -0.192 175.781 176.094 -0.201 0.000 1.027 382 V CA -1.165 61.057 62.300 -0.130 0.000 0.855 382 V CB 1.512 33.289 31.823 -0.077 0.000 0.995 382 V HN 1.056 nan 8.190 nan 0.000 0.424 383 N N 3.662 122.278 118.700 -0.140 0.000 2.714 383 N HA -0.201 4.538 4.740 -0.001 0.000 0.253 383 N C 1.172 176.570 175.510 -0.186 0.000 1.024 383 N CA 1.374 54.351 53.050 -0.121 0.000 0.726 383 N CB -1.003 37.428 38.487 -0.093 0.000 0.908 383 N HN 1.662 nan 8.380 nan 0.000 0.542 384 G N -0.867 107.771 108.800 -0.270 0.000 2.166 384 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.260 384 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.260 384 G C -0.201 174.429 174.900 -0.451 0.000 0.986 384 G CA 0.975 45.903 45.100 -0.287 0.000 0.683 384 G HN 0.630 nan 8.290 nan 0.000 0.527 385 E N 0.289 120.106 120.200 -0.637 0.000 2.266 385 E HA 0.398 4.747 4.350 -0.001 0.000 0.268 385 E C -1.172 175.232 176.600 -0.328 0.000 0.879 385 E CA -1.054 55.136 56.400 -0.350 0.000 0.762 385 E CB 1.341 30.936 29.700 -0.175 0.000 1.199 385 E HN 0.147 nan 8.360 nan 0.000 0.422 386 D N 2.166 122.565 120.400 -0.000 0.000 2.345 386 D HA 0.192 4.832 4.640 -0.001 0.000 0.247 386 D C -0.442 175.862 176.300 0.007 0.000 1.108 386 D CA 0.313 54.385 54.000 0.120 0.000 0.894 386 D CB 1.033 41.919 40.800 0.142 0.000 1.203 386 D HN 0.166 nan 8.370 nan 0.000 0.430 387 K N 1.084 121.482 120.400 -0.002 0.000 2.513 387 K HA 0.338 4.657 4.320 -0.001 0.000 0.251 387 K C -1.160 175.411 176.600 -0.048 0.000 0.939 387 K CA -0.754 55.514 56.287 -0.032 0.000 0.793 387 K CB 1.808 34.285 32.500 -0.039 0.000 1.241 387 K HN 0.104 nan 8.250 nan 0.000 0.431 388 V N 3.554 123.426 119.914 -0.070 0.000 2.655 388 V HA 0.053 4.172 4.120 -0.001 0.000 0.300 388 V C -0.021 176.009 176.094 -0.107 0.000 1.044 388 V CA -0.408 61.825 62.300 -0.111 0.000 1.095 388 V CB 1.365 33.109 31.823 -0.131 0.000 0.952 388 V HN 0.470 nan 8.190 nan 0.000 0.485 389 V N 7.965 127.798 119.914 -0.135 0.000 2.368 389 V HA 0.214 4.333 4.120 -0.001 0.000 0.266 389 V C -2.103 173.911 176.094 -0.133 0.000 1.045 389 V CA -1.703 60.530 62.300 -0.112 0.000 0.899 389 V CB 0.920 32.677 31.823 -0.110 0.000 1.006 389 V HN 0.810 nan 8.190 nan 0.000 0.470 390 P HA 0.163 nan 4.420 nan 0.000 0.262 390 P C 1.026 178.294 177.300 -0.053 0.000 1.182 390 P CA 1.207 64.265 63.100 -0.070 0.000 0.761 390 P CB 0.505 32.183 31.700 -0.036 0.000 0.795 391 G N 1.610 110.392 108.800 -0.030 0.000 2.162 391 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.260 391 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.260 391 G C -0.342 174.587 174.900 0.050 0.000 0.976 391 G CA -0.105 45.024 45.100 0.048 0.000 0.655 391 G HN 0.569 nan 8.290 nan 0.000 0.533 392 L N 0.240 121.406 121.223 -0.094 0.000 2.356 392 L HA 0.867 5.207 4.340 -0.001 0.000 0.277 392 L C -0.709 175.979 176.870 -0.302 0.000 0.996 392 L CA -1.803 52.981 54.840 -0.094 0.000 0.822 392 L CB 1.239 43.234 42.059 -0.106 0.000 1.256 392 L HN 0.130 nan 8.230 nan 0.000 0.413 393 Y N 2.980 123.221 120.300 -0.097 0.000 2.570 393 Y HA 0.880 5.430 4.550 -0.001 0.000 0.345 393 Y C -0.059 175.781 175.900 -0.101 0.000 1.014 393 Y CA -0.655 57.382 58.100 -0.105 0.000 1.063 393 Y CB 2.395 40.785 38.460 -0.116 0.000 1.272 393 Y HN 0.708 nan 8.280 nan 0.000 0.477 394 A N 0.851 123.695 122.820 0.040 0.000 2.520 394 A HA 0.851 5.170 4.320 -0.001 0.000 0.298 394 A C -1.287 176.294 177.584 -0.004 0.000 1.051 394 A CA -0.635 51.397 52.037 -0.009 0.000 0.690 394 A CB 0.547 19.512 19.000 -0.057 0.000 1.281 394 A HN 1.074 nan 8.150 nan 0.000 0.402 395 C N -0.411 118.890 119.300 0.002 0.000 3.288 395 C HA 1.034 5.494 4.460 -0.001 0.000 0.318 395 C C 0.733 175.748 174.990 0.041 0.000 1.356 395 C CA -0.072 58.966 59.018 0.033 0.000 1.359 395 C CB 0.933 28.727 27.740 0.091 0.000 1.688 395 C HN 3.031 nan 8.230 nan 0.000 0.467 396 G N 0.601 109.455 108.800 0.091 0.000 2.632 396 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.224 396 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.224 396 G C 0.390 175.358 174.900 0.112 0.000 1.341 396 G CA 0.715 45.884 45.100 0.116 0.000 0.880 396 G HN 1.356 nan 8.290 nan 0.000 0.566 397 E N -0.011 120.256 120.200 0.112 0.000 2.265 397 E HA 0.063 4.412 4.350 -0.001 0.000 0.196 397 E C 2.703 179.272 176.600 -0.051 0.000 0.996 397 E CA 1.744 58.167 56.400 0.039 0.000 0.832 397 E CB -0.387 29.289 29.700 -0.040 0.000 0.756 397 E HN 1.011 nan 8.360 nan 0.000 0.491 398 A N 0.644 123.450 122.820 -0.023 0.000 2.119 398 A HA 0.190 4.510 4.320 -0.001 0.000 0.217 398 A C 1.182 178.746 177.584 -0.033 0.000 1.153 398 A CA 0.894 52.914 52.037 -0.028 0.000 0.692 398 A CB -0.212 18.768 19.000 -0.033 0.000 0.799 398 A HN 0.322 nan 8.150 nan 0.000 0.458 399 A N -0.829 121.971 122.820 -0.032 0.000 2.282 399 A HA 0.619 4.938 4.320 -0.001 0.000 0.319 399 A C 0.236 177.781 177.584 -0.066 0.000 1.121 399 A CA 0.058 52.056 52.037 -0.066 0.000 0.836 399 A CB 0.703 19.645 19.000 -0.098 0.000 1.146 399 A HN 0.453 nan 8.150 nan 0.000 0.494 400 S N 0.173 115.808 115.700 -0.109 0.000 2.542 400 S HA 0.481 4.950 4.470 -0.001 0.000 0.245 400 S C 0.741 175.221 174.600 -0.200 0.000 1.325 400 S CA 0.050 58.182 58.200 -0.114 0.000 1.176 400 S CB 0.395 63.535 63.200 -0.099 0.000 1.045 400 S HN 1.294 nan 8.310 nan 0.000 0.481 401 A N 3.142 125.802 122.820 -0.266 0.000 1.968 401 A HA 0.205 4.524 4.320 -0.001 0.000 0.217 401 A C 1.319 178.775 177.584 -0.213 0.000 1.169 401 A CA 0.804 52.637 52.037 -0.340 0.000 0.638 401 A CB -0.201 18.398 19.000 -0.668 0.000 0.812 401 A HN 0.765 nan 8.150 nan 0.000 0.446 402 S N -0.009 115.600 115.700 -0.151 0.000 2.448 402 S HA 0.380 4.849 4.470 -0.001 0.000 0.320 402 S C 0.758 175.267 174.600 -0.153 0.000 1.071 402 S CA -0.119 57.993 58.200 -0.147 0.000 1.113 402 S CB 1.159 64.334 63.200 -0.040 0.000 0.972 402 S HN 0.722 nan 8.310 nan 0.000 0.465 403 V N 2.978 122.699 119.914 -0.321 0.000 3.306 403 V HA 0.198 4.317 4.120 -0.001 0.000 0.264 403 V C 1.270 177.159 176.094 -0.342 0.000 1.149 403 V CA 0.687 62.793 62.300 -0.324 0.000 1.143 403 V CB -0.937 30.660 31.823 -0.376 0.000 0.767 403 V HN 0.909 nan 8.190 nan 0.000 0.476 404 H N 0.577 119.645 119.070 -0.003 0.000 2.740 404 H HA 0.434 4.989 4.556 -0.001 0.000 0.265 404 H C 1.849 177.140 175.328 -0.063 0.000 0.978 404 H CA 0.379 56.417 56.048 -0.018 0.000 1.198 404 H CB 0.553 30.342 29.762 0.045 0.000 1.467 404 H HN 0.520 nan 8.280 nan 0.000 0.511 405 G N 1.530 110.340 108.800 0.017 0.000 2.622 405 G HA2 -0.407 3.553 3.960 -0.001 0.000 0.307 405 G HA3 -0.407 3.553 3.960 -0.001 0.000 0.307 405 G C 1.201 175.939 174.900 -0.269 0.000 1.226 405 G CA 1.417 46.456 45.100 -0.102 0.000 0.997 405 G HN 0.581 nan 8.290 nan 0.000 0.551 406 A N 0.438 123.027 122.820 -0.385 0.000 2.275 406 A HA 0.502 4.822 4.320 -0.001 0.000 0.212 406 A C 0.832 178.371 177.584 -0.074 0.000 1.201 406 A CA 1.420 53.125 52.037 -0.554 0.000 0.843 406 A CB -0.241 18.433 19.000 -0.543 0.000 0.873 406 A HN 1.481 nan 8.150 nan 0.000 0.492 407 N N -0.219 118.464 118.700 -0.029 0.000 2.718 407 N HA 0.064 4.804 4.740 -0.001 0.000 0.260 407 N C -1.447 174.064 175.510 0.002 0.000 1.089 407 N CA -0.397 52.669 53.050 0.026 0.000 1.021 407 N CB 1.097 39.598 38.487 0.022 0.000 1.618 407 N HN 0.311 nan 8.380 nan 0.000 0.554 408 R N 3.984 124.468 120.500 -0.027 0.000 2.410 408 R HA 0.455 4.795 4.340 -0.001 0.000 0.288 408 R C -0.233 175.997 176.300 -0.117 0.000 1.051 408 R CA -0.412 55.606 56.100 -0.136 0.000 1.021 408 R CB 0.837 30.827 30.300 -0.517 0.000 1.032 408 R HN 0.493 nan 8.270 nan 0.000 0.481 409 L N 3.225 124.415 121.223 -0.056 0.000 2.349 409 L HA 0.291 4.630 4.340 -0.001 0.000 0.275 409 L C 1.092 177.968 176.870 0.011 0.000 1.115 409 L CA -0.462 54.373 54.840 -0.010 0.000 0.820 409 L CB 1.195 43.289 42.059 0.058 0.000 1.135 409 L HN 0.855 nan 8.230 nan 0.000 0.445 410 G N 1.919 110.787 108.800 0.113 0.000 2.391 410 G HA2 0.253 4.213 3.960 -0.001 0.000 0.234 410 G HA3 0.253 4.213 3.960 -0.001 0.000 0.234 410 G C 0.866 175.859 174.900 0.155 0.000 1.284 410 G CA 0.349 45.645 45.100 0.326 0.000 0.873 410 G HN 1.147 nan 8.290 nan 0.000 0.549 411 A N 1.422 124.207 122.820 -0.058 0.000 2.979 411 A HA -0.202 4.117 4.320 -0.001 0.000 0.260 411 A C 1.695 179.236 177.584 -0.072 0.000 1.282 411 A CA 1.501 53.397 52.037 -0.236 0.000 0.971 411 A CB -1.739 16.895 19.000 -0.609 0.000 1.124 411 A HN 0.650 nan 8.150 nan 0.000 0.826 412 N N -0.780 117.917 118.700 -0.005 0.000 2.325 412 N HA 0.115 4.854 4.740 -0.001 0.000 0.182 412 N C 1.664 177.248 175.510 0.123 0.000 1.088 412 N CA 1.170 54.288 53.050 0.113 0.000 0.879 412 N CB 0.152 38.756 38.487 0.196 0.000 0.983 412 N HN 0.648 nan 8.380 nan 0.000 0.471 413 S N 0.181 115.854 115.700 -0.045 0.000 2.362 413 S HA 0.135 4.604 4.470 -0.001 0.000 0.221 413 S C 1.803 176.460 174.600 0.094 0.000 1.032 413 S CA 0.431 58.626 58.200 -0.008 0.000 0.973 413 S CB -0.136 62.946 63.200 -0.197 0.000 0.849 413 S HN 0.203 nan 8.310 nan 0.000 0.465 414 L N 1.184 122.439 121.223 0.053 0.000 2.127 414 L HA -0.105 4.235 4.340 -0.001 0.000 0.211 414 L C 2.491 179.417 176.870 0.092 0.000 1.089 414 L CA 0.929 55.811 54.840 0.070 0.000 0.757 414 L CB -0.581 41.505 42.059 0.046 0.000 0.899 414 L HN 0.381 nan 8.230 nan 0.000 0.434 415 L N 0.384 121.667 121.223 0.099 0.000 2.027 415 L HA -0.226 4.113 4.340 -0.001 0.000 0.206 415 L C 2.215 179.163 176.870 0.130 0.000 1.074 415 L CA 2.063 56.965 54.840 0.102 0.000 0.745 415 L CB -0.712 41.420 42.059 0.121 0.000 0.898 415 L HN 0.235 nan 8.230 nan 0.000 0.433 416 D N -0.432 120.105 120.400 0.227 0.000 2.133 416 D HA -0.245 4.394 4.640 -0.001 0.000 0.195 416 D C 2.105 178.603 176.300 0.329 0.000 0.997 416 D CA 2.071 56.303 54.000 0.386 0.000 0.840 416 D CB -0.248 40.807 40.800 0.426 0.000 0.947 416 D HN 0.488 nan 8.370 nan 0.000 0.452 417 L N 0.183 121.533 121.223 0.212 0.000 2.012 417 L HA -0.163 4.176 4.340 -0.001 0.000 0.210 417 L C 2.796 179.725 176.870 0.098 0.000 1.073 417 L CA 1.689 56.620 54.840 0.152 0.000 0.748 417 L CB -0.941 41.182 42.059 0.107 0.000 0.891 417 L HN 0.115 nan 8.230 nan 0.000 0.431 418 V N -4.325 115.629 119.914 0.067 0.000 2.719 418 V HA -0.051 4.068 4.120 -0.001 0.000 0.252 418 V C 2.220 178.294 176.094 -0.033 0.000 1.065 418 V CA 0.787 63.099 62.300 0.019 0.000 1.086 418 V CB -0.212 31.635 31.823 0.040 0.000 0.700 418 V HN 0.164 nan 8.190 nan 0.000 0.467 419 V N -0.178 119.696 119.914 -0.067 0.000 2.346 419 V HA -0.055 4.065 4.120 -0.001 0.000 0.244 419 V C 2.349 178.275 176.094 -0.280 0.000 1.037 419 V CA 2.206 64.368 62.300 -0.230 0.000 1.029 419 V CB -0.683 30.893 31.823 -0.413 0.000 0.663 419 V HN 0.505 nan 8.190 nan 0.000 0.454 420 F N 0.910 120.910 119.950 0.084 0.000 2.512 420 F HA 0.192 4.718 4.527 -0.001 0.000 0.296 420 F C 2.290 178.084 175.800 -0.010 0.000 1.110 420 F CA 0.871 58.904 58.000 0.055 0.000 1.446 420 F CB -1.043 37.985 39.000 0.047 0.000 1.092 420 F HN 0.168 nan 8.300 nan 0.000 0.554 421 G N -0.028 108.825 108.800 0.088 0.000 2.418 421 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.217 421 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.217 421 G C 1.822 176.662 174.900 -0.099 0.000 1.158 421 G CA 0.648 45.732 45.100 -0.027 0.000 0.771 421 G HN 0.250 nan 8.290 nan 0.000 0.545 422 R N 0.478 120.921 120.500 -0.095 0.000 2.092 422 R HA 0.082 4.422 4.340 -0.001 0.000 0.231 422 R C 2.838 179.089 176.300 -0.082 0.000 1.119 422 R CA 1.346 57.379 56.100 -0.112 0.000 0.970 422 R CB -0.346 29.905 30.300 -0.081 0.000 0.864 422 R HN 0.274 nan 8.270 nan 0.000 0.440 423 A N 0.410 123.209 122.820 -0.036 0.000 1.933 423 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 423 A C 2.438 179.973 177.584 -0.082 0.000 1.175 423 A CA 1.556 53.568 52.037 -0.042 0.000 0.628 423 A CB -0.906 18.065 19.000 -0.049 0.000 0.814 423 A HN 0.582 nan 8.150 nan 0.000 0.444 424 C N -1.050 118.206 119.300 -0.073 0.000 2.413 424 C HA 0.002 4.462 4.460 -0.001 0.000 0.276 424 C C 3.328 178.075 174.990 -0.405 0.000 1.236 424 C CA 0.886 59.779 59.018 -0.208 0.000 1.735 424 C CB -1.376 26.253 27.740 -0.184 0.000 2.031 424 C HN 0.711 nan 8.230 nan 0.000 0.474 425 A N 0.234 122.865 122.820 -0.314 0.000 1.902 425 A HA -0.108 4.211 4.320 -0.001 0.000 0.217 425 A C 2.116 179.538 177.584 -0.271 0.000 1.181 425 A CA 1.493 53.325 52.037 -0.340 0.000 0.623 425 A CB -0.633 18.207 19.000 -0.267 0.000 0.818 425 A HN 0.618 nan 8.150 nan 0.000 0.443 426 L N -0.746 120.375 121.223 -0.170 0.000 2.046 426 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 426 L C 2.769 179.573 176.870 -0.111 0.000 1.077 426 L CA 1.775 56.556 54.840 -0.099 0.000 0.747 426 L CB -0.836 41.193 42.059 -0.050 0.000 0.896 426 L HN 0.356 nan 8.230 nan 0.000 0.432 427 T N -0.034 114.433 114.554 -0.146 0.000 2.777 427 T HA -0.100 4.250 4.350 -0.001 0.000 0.266 427 T C 1.914 176.540 174.700 -0.124 0.000 1.040 427 T CA 1.161 63.203 62.100 -0.097 0.000 1.141 427 T CB -0.136 68.727 68.868 -0.008 0.000 0.868 427 T HN 0.179 nan 8.240 nan 0.000 0.444 428 I N 1.394 121.767 120.570 -0.328 0.000 2.226 428 I HA -0.153 4.017 4.170 -0.001 0.000 0.245 428 I C 2.867 178.851 176.117 -0.222 0.000 1.100 428 I CA 1.049 62.119 61.300 -0.384 0.000 1.374 428 I CB -0.404 37.153 38.000 -0.738 0.000 1.057 428 I HN 0.180 nan 8.210 nan 0.000 0.413 429 A N 0.912 123.625 122.820 -0.179 0.000 2.019 429 A HA -0.215 4.105 4.320 -0.001 0.000 0.219 429 A C 2.126 179.782 177.584 0.121 0.000 1.164 429 A CA 1.809 53.926 52.037 0.134 0.000 0.644 429 A CB -0.647 18.447 19.000 0.158 0.000 0.805 429 A HN 0.680 nan 8.150 nan 0.000 0.449 430 E N -1.827 118.396 120.200 0.038 0.000 2.474 430 E HA 0.026 4.375 4.350 -0.001 0.000 0.194 430 E C 1.064 177.691 176.600 0.045 0.000 1.041 430 E CA 1.013 57.438 56.400 0.041 0.000 0.874 430 E CB -0.146 29.564 29.700 0.016 0.000 0.914 430 E HN 0.355 nan 8.360 nan 0.000 0.498 431 T N -0.200 114.384 114.554 0.049 0.000 3.000 431 T HA 0.190 4.540 4.350 -0.001 0.000 0.248 431 T C 0.405 175.153 174.700 0.080 0.000 1.034 431 T CA 0.188 62.321 62.100 0.054 0.000 1.060 431 T CB 0.333 69.234 68.868 0.056 0.000 0.983 431 T HN 0.197 nan 8.240 nan 0.000 0.482 432 C N 0.942 120.321 119.300 0.131 0.000 3.213 432 C HA 0.696 5.156 4.460 -0.001 0.000 0.319 432 C C -0.773 174.375 174.990 0.263 0.000 1.386 432 C CA -1.374 57.755 59.018 0.186 0.000 1.494 432 C CB 2.243 30.114 27.740 0.218 0.000 1.905 432 C HN 0.268 nan 8.230 nan 0.000 0.456 433 K N 0.530 121.030 120.400 0.166 0.000 2.385 433 K HA 0.533 4.852 4.320 -0.001 0.000 0.248 433 K C -2.950 173.548 176.600 -0.171 0.000 0.955 433 K CA -1.329 54.944 56.287 -0.025 0.000 0.816 433 K CB 1.693 34.167 32.500 -0.042 0.000 1.250 433 K HN 0.308 nan 8.250 nan 0.000 0.434 434 P HA 0.008 nan 4.420 nan 0.000 0.269 434 P C 0.518 177.719 177.300 -0.166 0.000 1.209 434 P CA 0.668 63.479 63.100 -0.482 0.000 0.776 434 P CB 0.530 31.866 31.700 -0.607 0.000 0.876 435 G N 0.533 109.296 108.800 -0.063 0.000 2.179 435 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.260 435 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.260 435 G C 0.164 175.061 174.900 -0.005 0.000 0.977 435 G CA -0.167 44.916 45.100 -0.029 0.000 0.641 435 G HN 0.570 nan 8.290 nan 0.000 0.533 436 E N 1.820 122.028 120.200 0.013 0.000 2.422 436 E HA 0.298 4.647 4.350 -0.001 0.000 0.260 436 E C -1.697 174.921 176.600 0.030 0.000 1.108 436 E CA -0.806 55.609 56.400 0.025 0.000 0.943 436 E CB 0.365 30.092 29.700 0.045 0.000 0.961 436 E HN 0.312 nan 8.360 nan 0.000 0.443 437 P HA -0.058 nan 4.420 nan 0.000 0.266 437 P C -0.430 176.889 177.300 0.033 0.000 1.195 437 P CA 0.069 63.182 63.100 0.021 0.000 0.768 437 P CB 0.619 32.328 31.700 0.015 0.000 0.838 438 V N 5.328 125.260 119.914 0.029 0.000 2.488 438 V HA 0.201 4.320 4.120 -0.001 0.000 0.277 438 V C -1.707 174.406 176.094 0.032 0.000 1.046 438 V CA -1.890 60.434 62.300 0.040 0.000 0.986 438 V CB 0.380 32.224 31.823 0.036 0.000 0.989 438 V HN 0.586 nan 8.190 nan 0.000 0.475 439 P HA 0.143 nan 4.420 nan 0.000 0.269 439 P C -0.445 176.869 177.300 0.024 0.000 1.209 439 P CA 0.011 63.129 63.100 0.029 0.000 0.776 439 P CB 0.681 32.400 31.700 0.033 0.000 0.876 440 S N 2.319 118.029 115.700 0.016 0.000 2.632 440 S HA 0.696 5.165 4.470 -0.001 0.000 0.271 440 S C 0.426 175.034 174.600 0.012 0.000 1.260 440 S CA -0.756 57.451 58.200 0.012 0.000 1.010 440 S CB 0.540 63.744 63.200 0.006 0.000 0.965 440 S HN 0.522 nan 8.310 nan 0.000 0.534 441 I N -2.492 118.084 120.570 0.010 0.000 2.865 441 I HA 0.598 4.767 4.170 -0.001 0.000 0.302 441 I C -0.780 175.340 176.117 0.004 0.000 1.140 441 I CA -1.469 59.837 61.300 0.010 0.000 1.021 441 I CB 1.809 39.818 38.000 0.014 0.000 1.233 441 I HN 0.483 nan 8.210 nan 0.000 0.427 442 K N 3.598 124.000 120.400 0.004 0.000 2.469 442 K HA 0.150 4.469 4.320 -0.001 0.000 0.274 442 K C -1.747 174.853 176.600 -0.000 0.000 0.983 442 K CA -0.800 55.488 56.287 0.001 0.000 0.974 442 K CB 0.322 32.823 32.500 0.002 0.000 0.913 442 K HN 0.437 nan 8.250 nan 0.000 0.493 443 P HA -0.192 nan 4.420 nan 0.000 0.217 443 P C 0.174 177.472 177.300 -0.003 0.000 1.148 443 P CA 1.300 64.397 63.100 -0.005 0.000 0.828 443 P CB 0.098 31.795 31.700 -0.005 0.000 0.783 444 N N -1.325 117.375 118.700 0.000 0.000 2.251 444 N HA 0.158 4.897 4.740 -0.001 0.000 0.217 444 N C 0.098 175.610 175.510 0.004 0.000 1.124 444 N CA -0.281 52.771 53.050 0.003 0.000 0.843 444 N CB -0.244 38.245 38.487 0.004 0.000 1.024 444 N HN -0.088 nan 8.380 nan 0.000 0.501 445 A N 0.317 123.140 122.820 0.004 0.000 2.546 445 A HA 0.461 4.781 4.320 -0.001 0.000 0.243 445 A C 1.510 179.099 177.584 0.010 0.000 1.063 445 A CA 0.684 52.726 52.037 0.008 0.000 0.757 445 A CB -0.661 18.345 19.000 0.010 0.000 0.991 445 A HN 0.788 nan 8.150 nan 0.000 0.503 446 G N 1.626 110.432 108.800 0.010 0.000 2.175 446 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.244 446 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.244 446 G C 0.723 175.623 174.900 0.000 0.000 0.982 446 G CA 0.869 45.975 45.100 0.010 0.000 0.641 446 G HN 1.187 nan 8.290 nan 0.000 0.527 447 E N 0.440 120.641 120.200 0.001 0.000 2.153 447 E HA -0.122 4.227 4.350 -0.001 0.000 0.194 447 E C 1.764 178.359 176.600 -0.008 0.000 0.988 447 E CA 1.306 57.705 56.400 -0.002 0.000 0.811 447 E CB -0.379 29.326 29.700 0.007 0.000 0.746 447 E HN 0.641 nan 8.360 nan 0.000 0.466 448 E N 0.800 120.997 120.200 -0.005 0.000 2.153 448 E HA -0.106 4.243 4.350 -0.001 0.000 0.194 448 E C 2.113 178.704 176.600 -0.014 0.000 0.988 448 E CA 1.169 57.565 56.400 -0.006 0.000 0.811 448 E CB 0.061 29.761 29.700 -0.001 0.000 0.746 448 E HN 0.241 nan 8.360 nan 0.000 0.466 449 S N 0.297 115.987 115.700 -0.016 0.000 2.371 449 S HA -0.100 4.369 4.470 -0.001 0.000 0.224 449 S C 2.197 176.760 174.600 -0.062 0.000 1.029 449 S CA 0.740 58.928 58.200 -0.021 0.000 0.978 449 S CB -0.020 63.179 63.200 -0.002 0.000 0.833 449 S HN 0.064 nan 8.310 nan 0.000 0.466 450 V N 2.159 122.020 119.914 -0.088 0.000 2.358 450 V HA -0.146 3.973 4.120 -0.001 0.000 0.246 450 V C 2.664 178.665 176.094 -0.155 0.000 1.047 450 V CA 1.581 63.767 62.300 -0.190 0.000 1.035 450 V CB -1.244 30.465 31.823 -0.191 0.000 0.658 450 V HN 0.523 nan 8.190 nan 0.000 0.452 451 A N 0.711 123.495 122.820 -0.060 0.000 1.902 451 A HA -0.298 4.022 4.320 -0.001 0.000 0.217 451 A C 2.080 179.653 177.584 -0.017 0.000 1.181 451 A CA 2.393 54.423 52.037 -0.013 0.000 0.623 451 A CB -0.858 18.144 19.000 0.004 0.000 0.818 451 A HN 0.641 nan 8.150 nan 0.000 0.443 452 N N -0.180 118.500 118.700 -0.033 0.000 2.142 452 N HA -0.113 4.627 4.740 -0.001 0.000 0.186 452 N C 1.655 177.133 175.510 -0.053 0.000 1.023 452 N CA 1.523 54.554 53.050 -0.033 0.000 0.852 452 N CB -0.373 38.098 38.487 -0.026 0.000 0.998 452 N HN 0.462 nan 8.380 nan 0.000 0.424 453 L N 0.107 121.276 121.223 -0.090 0.000 2.012 453 L HA -0.197 4.142 4.340 -0.001 0.000 0.210 453 L C 1.790 178.597 176.870 -0.104 0.000 1.073 453 L CA 2.094 56.856 54.840 -0.130 0.000 0.748 453 L CB -0.569 41.365 42.059 -0.209 0.000 0.891 453 L HN 0.276 nan 8.230 nan 0.000 0.431 454 D N -0.584 119.784 120.400 -0.054 0.000 2.144 454 D HA -0.266 4.374 4.640 -0.001 0.000 0.199 454 D C 2.242 178.634 176.300 0.153 0.000 0.984 454 D CA 1.284 55.359 54.000 0.126 0.000 0.834 454 D CB 0.028 40.988 40.800 0.267 0.000 0.955 454 D HN 0.203 nan 8.370 nan 0.000 0.465 455 K N -0.128 120.322 120.400 0.082 0.000 2.063 455 K HA -0.130 4.189 4.320 -0.001 0.000 0.208 455 K C 2.069 178.682 176.600 0.022 0.000 1.048 455 K CA 0.962 57.291 56.287 0.070 0.000 0.928 455 K CB -0.075 32.438 32.500 0.021 0.000 0.713 455 K HN 0.232 nan 8.250 nan 0.000 0.442 456 L N 0.126 121.326 121.223 -0.038 0.000 2.109 456 L HA -0.084 4.255 4.340 -0.001 0.000 0.207 456 L C 2.752 179.543 176.870 -0.132 0.000 1.086 456 L CA 0.886 55.680 54.840 -0.076 0.000 0.760 456 L CB -0.445 41.559 42.059 -0.092 0.000 0.910 456 L HN 0.252 nan 8.230 nan 0.000 0.437 457 R N 0.322 120.690 120.500 -0.219 0.000 2.105 457 R HA -0.176 4.164 4.340 -0.001 0.000 0.239 457 R C 1.446 177.376 176.300 -0.618 0.000 1.135 457 R CA 1.692 57.517 56.100 -0.459 0.000 0.967 457 R CB -0.032 29.876 30.300 -0.654 0.000 0.861 457 R HN 0.211 nan 8.270 nan 0.000 0.442 458 F N 0.325 120.274 119.950 -0.002 0.000 2.639 458 F HA 0.401 4.928 4.527 -0.001 0.000 0.302 458 F C 0.548 176.323 175.800 -0.042 0.000 1.097 458 F CA -0.475 57.516 58.000 -0.015 0.000 1.294 458 F CB 0.152 39.151 39.000 -0.001 0.000 1.027 458 F HN -0.026 nan 8.300 nan 0.000 0.550 459 A N 0.529 123.366 122.820 0.028 0.000 2.548 459 A HA 0.121 4.441 4.320 -0.001 0.000 0.247 459 A C 0.398 177.948 177.584 -0.056 0.000 1.067 459 A CA 0.451 52.481 52.037 -0.010 0.000 0.757 459 A CB -0.187 18.788 19.000 -0.043 0.000 0.996 459 A HN 0.245 nan 8.150 nan 0.000 0.504 460 D N 1.738 122.112 120.400 -0.043 0.000 2.895 460 D HA 0.368 5.007 4.640 -0.001 0.000 0.350 460 D C 0.841 177.104 176.300 -0.063 0.000 1.389 460 D CA 0.636 54.586 54.000 -0.084 0.000 0.812 460 D CB -0.129 40.641 40.800 -0.051 0.000 1.164 460 D HN 0.628 nan 8.370 nan 0.000 0.455 461 G N -1.110 107.664 108.800 -0.044 0.000 2.783 461 G HA2 0.161 4.121 3.960 -0.001 0.000 0.182 461 G HA3 0.161 4.121 3.960 -0.001 0.000 0.182 461 G C 0.784 175.674 174.900 -0.017 0.000 1.516 461 G CA 0.188 45.292 45.100 0.006 0.000 1.079 461 G HN 0.174 nan 8.290 nan 0.000 0.573 462 T N -0.080 114.483 114.554 0.016 0.000 2.971 462 T HA 0.305 4.655 4.350 -0.001 0.000 0.252 462 T C 0.556 175.270 174.700 0.025 0.000 1.022 462 T CA -0.011 62.087 62.100 -0.003 0.000 0.980 462 T CB -0.010 68.829 68.868 -0.048 0.000 1.044 462 T HN 0.176 nan 8.240 nan 0.000 0.501 463 I N 3.989 124.590 120.570 0.051 0.000 2.382 463 I HA 0.380 4.550 4.170 -0.001 0.000 0.285 463 I C 0.243 176.399 176.117 0.065 0.000 1.007 463 I CA -1.033 60.303 61.300 0.061 0.000 1.142 463 I CB 1.231 39.275 38.000 0.073 0.000 1.289 463 I HN 0.117 nan 8.210 nan 0.000 0.453 464 R N 3.494 124.052 120.500 0.096 0.000 2.641 464 R HA 0.274 4.614 4.340 -0.001 0.000 0.269 464 R C 0.442 176.801 176.300 0.099 0.000 1.074 464 R CA -0.408 55.773 56.100 0.134 0.000 1.133 464 R CB 0.347 30.794 30.300 0.245 0.000 1.029 464 R HN 0.510 nan 8.270 nan 0.000 0.488 465 T N 1.315 115.925 114.554 0.094 0.000 2.653 465 T HA -0.262 4.087 4.350 -0.001 0.000 0.268 465 T C 1.906 176.647 174.700 0.068 0.000 1.035 465 T CA 2.407 64.546 62.100 0.064 0.000 1.154 465 T CB -0.394 68.507 68.868 0.055 0.000 0.862 465 T HN 0.838 nan 8.240 nan 0.000 0.441 466 S N 1.088 116.835 115.700 0.078 0.000 2.419 466 S HA -0.118 4.351 4.470 -0.001 0.000 0.233 466 S C 1.955 176.602 174.600 0.077 0.000 1.016 466 S CA 1.344 59.588 58.200 0.073 0.000 0.974 466 S CB -0.338 62.900 63.200 0.064 0.000 0.786 466 S HN 0.674 nan 8.310 nan 0.000 0.492 467 E N 1.501 121.746 120.200 0.075 0.000 2.076 467 E HA 0.033 4.382 4.350 -0.001 0.000 0.190 467 E C 2.171 178.809 176.600 0.063 0.000 0.979 467 E CA 0.761 57.202 56.400 0.068 0.000 0.807 467 E CB -0.402 29.338 29.700 0.066 0.000 0.761 467 E HN 0.645 nan 8.360 nan 0.000 0.454 468 A N 1.457 124.313 122.820 0.059 0.000 1.930 468 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 468 A C 2.174 179.793 177.584 0.058 0.000 1.175 468 A CA 1.427 53.495 52.037 0.051 0.000 0.627 468 A CB -0.484 18.539 19.000 0.038 0.000 0.815 468 A HN 0.200 nan 8.150 nan 0.000 0.443 469 R N -0.787 119.753 120.500 0.067 0.000 2.066 469 R HA -0.108 4.232 4.340 -0.001 0.000 0.232 469 R C 2.041 178.400 176.300 0.099 0.000 1.131 469 R CA 1.659 57.807 56.100 0.080 0.000 0.955 469 R CB -0.434 29.917 30.300 0.085 0.000 0.851 469 R HN 0.407 nan 8.270 nan 0.000 0.432 470 L N 1.689 122.977 121.223 0.108 0.000 2.079 470 L HA -0.170 4.170 4.340 -0.001 0.000 0.210 470 L C 1.536 178.458 176.870 0.088 0.000 1.081 470 L CA 1.797 56.717 54.840 0.134 0.000 0.752 470 L CB -0.638 41.497 42.059 0.127 0.000 0.896 470 L HN 0.223 nan 8.230 nan 0.000 0.433 471 N N -0.482 118.255 118.700 0.061 0.000 2.069 471 N HA -0.258 4.481 4.740 -0.001 0.000 0.191 471 N C 1.879 177.411 175.510 0.037 0.000 1.031 471 N CA 2.013 55.086 53.050 0.039 0.000 0.852 471 N CB -0.469 38.041 38.487 0.038 0.000 1.018 471 N HN 0.517 nan 8.380 nan 0.000 0.423 472 M N 0.883 120.511 119.600 0.047 0.000 2.086 472 M HA -0.219 4.261 4.480 -0.001 0.000 0.261 472 M C 1.813 178.127 176.300 0.023 0.000 1.067 472 M CA 1.604 56.924 55.300 0.034 0.000 1.116 472 M CB -0.103 32.525 32.600 0.045 0.000 1.348 472 M HN 0.102 nan 8.290 nan 0.000 0.407 473 Q N 0.171 120.014 119.800 0.071 0.000 2.084 473 Q HA -0.179 4.161 4.340 -0.001 0.000 0.202 473 Q C 2.004 178.070 176.000 0.110 0.000 0.978 473 Q CA 1.763 57.636 55.803 0.116 0.000 0.844 473 Q CB -0.092 28.797 28.738 0.252 0.000 0.898 473 Q HN 0.578 nan 8.270 nan 0.000 0.426 474 K N -0.329 120.103 120.400 0.053 0.000 2.148 474 K HA -0.062 4.258 4.320 -0.001 0.000 0.204 474 K C 2.124 178.741 176.600 0.028 0.000 1.050 474 K CA 1.384 57.646 56.287 -0.042 0.000 0.942 474 K CB 0.037 32.456 32.500 -0.135 0.000 0.724 474 K HN 0.154 nan 8.250 nan 0.000 0.446 475 T N 1.392 115.975 114.554 0.048 0.000 2.737 475 T HA -0.094 4.256 4.350 -0.001 0.000 0.265 475 T C 1.822 176.593 174.700 0.118 0.000 1.038 475 T CA 1.014 63.184 62.100 0.117 0.000 1.144 475 T CB -0.015 68.861 68.868 0.013 0.000 0.866 475 T HN 0.069 nan 8.240 nan 0.000 0.434 476 M N 1.046 120.622 119.600 -0.040 0.000 2.117 476 M HA -0.067 4.413 4.480 -0.001 0.000 0.262 476 M C 2.415 178.693 176.300 -0.037 0.000 1.065 476 M CA 1.491 56.669 55.300 -0.204 0.000 1.114 476 M CB -1.250 30.928 32.600 -0.703 0.000 1.361 476 M HN 0.187 nan 8.290 nan 0.000 0.408 477 Q N 0.572 120.420 119.800 0.081 0.000 2.124 477 Q HA -0.110 4.230 4.340 -0.001 0.000 0.202 477 Q C 1.988 178.094 176.000 0.177 0.000 0.977 477 Q CA 2.371 58.345 55.803 0.286 0.000 0.850 477 Q CB -0.108 28.802 28.738 0.285 0.000 0.901 477 Q HN 0.616 nan 8.270 nan 0.000 0.429 478 S N -1.942 113.804 115.700 0.076 0.000 2.524 478 S HA 0.040 4.510 4.470 -0.001 0.000 0.216 478 S C 1.135 175.597 174.600 -0.229 0.000 0.987 478 S CA 0.135 58.289 58.200 -0.077 0.000 0.909 478 S CB -0.078 63.025 63.200 -0.162 0.000 0.781 478 S HN 0.461 nan 8.310 nan 0.000 0.521 479 H N 0.482 119.580 119.070 0.046 0.000 2.827 479 H HA 0.537 5.092 4.556 -0.001 0.000 0.269 479 H C 0.462 175.829 175.328 0.065 0.000 1.031 479 H CA 0.538 56.606 56.048 0.034 0.000 1.202 479 H CB 0.929 30.688 29.762 -0.004 0.000 1.511 479 H HN 0.506 nan 8.280 nan 0.000 0.517 480 A N 1.013 123.965 122.820 0.219 0.000 3.234 480 A HA 0.630 4.950 4.320 -0.001 0.000 0.247 480 A C 0.498 178.332 177.584 0.415 0.000 0.938 480 A CA -0.018 52.179 52.037 0.267 0.000 1.039 480 A CB -0.205 18.948 19.000 0.255 0.000 1.197 480 A HN 0.253 nan 8.150 nan 0.000 0.498 481 A N -0.380 122.595 122.820 0.258 0.000 2.829 481 A HA 0.662 4.981 4.320 -0.001 0.000 0.248 481 A C 1.476 178.910 177.584 -0.250 0.000 1.654 481 A CA 0.455 52.570 52.037 0.131 0.000 0.860 481 A CB -0.489 18.531 19.000 0.033 0.000 1.696 481 A HN 0.666 nan 8.150 nan 0.000 0.576 482 V N -1.237 118.226 119.914 -0.752 0.000 2.287 482 V HA -0.143 3.976 4.120 -0.001 0.000 0.248 482 V C 0.483 176.216 176.094 -0.602 0.000 1.053 482 V CA 1.539 63.282 62.300 -0.928 0.000 1.027 482 V CB -0.929 30.360 31.823 -0.891 0.000 0.646 482 V HN 0.473 nan 8.190 nan 0.000 0.447 483 F N -0.617 119.212 119.950 -0.201 0.000 2.469 483 F HA 0.681 5.208 4.527 -0.001 0.000 0.332 483 F C 0.480 176.224 175.800 -0.093 0.000 1.103 483 F CA -0.724 57.199 58.000 -0.129 0.000 0.979 483 F CB 1.316 40.249 39.000 -0.111 0.000 1.137 483 F HN -0.133 nan 8.300 nan 0.000 0.463 484 R N 0.404 120.964 120.500 0.101 0.000 2.888 484 R HA 0.805 5.144 4.340 -0.001 0.000 0.266 484 R C -1.090 175.234 176.300 0.040 0.000 1.020 484 R CA -1.100 55.030 56.100 0.050 0.000 0.963 484 R CB 2.418 32.727 30.300 0.014 0.000 1.197 484 R HN 0.613 nan 8.270 nan 0.000 0.481 485 T N -1.363 113.216 114.554 0.042 0.000 2.889 485 T HA 0.302 4.652 4.350 -0.001 0.000 0.315 485 T C 0.902 175.637 174.700 0.059 0.000 1.291 485 T CA -0.064 62.062 62.100 0.043 0.000 1.028 485 T CB 1.631 70.509 68.868 0.017 0.000 1.235 485 T HN 0.661 nan 8.240 nan 0.000 0.491 486 G N 1.598 110.448 108.800 0.082 0.000 2.513 486 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.219 486 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.219 486 G C 1.791 176.723 174.900 0.054 0.000 1.160 486 G CA 1.817 46.967 45.100 0.082 0.000 0.767 486 G HN 0.989 nan 8.290 nan 0.000 0.571 487 S N 0.403 116.131 115.700 0.047 0.000 2.387 487 S HA 0.043 4.512 4.470 -0.001 0.000 0.226 487 S C 2.341 176.976 174.600 0.059 0.000 1.026 487 S CA 1.021 59.245 58.200 0.041 0.000 0.972 487 S CB -0.307 62.912 63.200 0.031 0.000 0.814 487 S HN 0.365 nan 8.310 nan 0.000 0.477 488 I N 1.313 121.927 120.570 0.073 0.000 2.252 488 I HA -0.090 4.080 4.170 -0.001 0.000 0.245 488 I C 2.404 178.638 176.117 0.194 0.000 1.102 488 I CA 0.976 62.361 61.300 0.141 0.000 1.385 488 I CB -0.383 37.659 38.000 0.070 0.000 1.064 488 I HN 0.261 nan 8.210 nan 0.000 0.414 489 L N 0.079 121.357 121.223 0.092 0.000 2.083 489 L HA -0.245 4.094 4.340 -0.001 0.000 0.209 489 L C 2.631 179.465 176.870 -0.061 0.000 1.083 489 L CA 1.488 56.347 54.840 0.031 0.000 0.752 489 L CB -0.508 41.559 42.059 0.013 0.000 0.899 489 L HN 0.299 nan 8.230 nan 0.000 0.433 490 Q N -0.442 119.334 119.800 -0.041 0.000 2.079 490 Q HA -0.266 4.074 4.340 -0.001 0.000 0.200 490 Q C 2.129 178.070 176.000 -0.099 0.000 0.974 490 Q CA 1.719 57.474 55.803 -0.080 0.000 0.840 490 Q CB -0.063 28.661 28.738 -0.025 0.000 0.898 490 Q HN 0.457 nan 8.270 nan 0.000 0.430 491 E N -0.199 119.966 120.200 -0.058 0.000 2.150 491 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 491 E C 1.922 178.316 176.600 -0.344 0.000 0.985 491 E CA 1.078 57.410 56.400 -0.113 0.000 0.814 491 E CB -0.142 29.559 29.700 0.001 0.000 0.752 491 E HN 0.404 nan 8.360 nan 0.000 0.466 492 G N 0.304 108.830 108.800 -0.456 0.000 2.408 492 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.217 492 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.217 492 G C 1.679 176.392 174.900 -0.313 0.000 1.150 492 G CA 0.786 45.540 45.100 -0.576 0.000 0.776 492 G HN 0.381 nan 8.290 nan 0.000 0.542 493 C N 0.323 119.435 119.300 -0.315 0.000 2.413 493 C HA -0.005 4.454 4.460 -0.001 0.000 0.276 493 C C 2.846 177.745 174.990 -0.152 0.000 1.236 493 C CA 0.972 59.738 59.018 -0.420 0.000 1.735 493 C CB -0.425 26.838 27.740 -0.796 0.000 2.031 493 C HN 0.419 nan 8.230 nan 0.000 0.474 494 E N 1.032 121.162 120.200 -0.118 0.000 2.072 494 E HA -0.127 4.222 4.350 -0.001 0.000 0.191 494 E C 2.146 178.728 176.600 -0.029 0.000 0.985 494 E CA 1.035 57.419 56.400 -0.027 0.000 0.801 494 E CB -0.407 29.278 29.700 -0.026 0.000 0.750 494 E HN 0.628 nan 8.360 nan 0.000 0.452 495 K N 0.400 120.742 120.400 -0.096 0.000 2.057 495 K HA -0.054 4.265 4.320 -0.001 0.000 0.207 495 K C 2.354 178.939 176.600 -0.024 0.000 1.049 495 K CA 0.805 57.046 56.287 -0.076 0.000 0.931 495 K CB -0.187 32.220 32.500 -0.155 0.000 0.714 495 K HN 0.094 nan 8.250 nan 0.000 0.440 496 L N 0.683 121.889 121.223 -0.028 0.000 2.056 496 L HA -0.181 4.159 4.340 -0.001 0.000 0.207 496 L C 2.385 179.318 176.870 0.104 0.000 1.078 496 L CA 1.044 55.906 54.840 0.036 0.000 0.749 496 L CB -0.301 41.776 42.059 0.031 0.000 0.901 496 L HN 0.152 nan 8.230 nan 0.000 0.433 497 S N -0.645 115.127 115.700 0.120 0.000 2.382 497 S HA -0.263 4.207 4.470 -0.001 0.000 0.228 497 S C 1.806 176.488 174.600 0.137 0.000 1.027 497 S CA 1.391 59.676 58.200 0.143 0.000 0.991 497 S CB -0.151 63.140 63.200 0.152 0.000 0.823 497 S HN 0.364 nan 8.310 nan 0.000 0.469 498 Q N 1.299 121.155 119.800 0.093 0.000 2.079 498 Q HA 0.064 4.404 4.340 -0.001 0.000 0.200 498 Q C 1.800 177.851 176.000 0.084 0.000 0.974 498 Q CA 1.444 57.294 55.803 0.079 0.000 0.840 498 Q CB -0.472 28.297 28.738 0.051 0.000 0.898 498 Q HN 0.581 nan 8.270 nan 0.000 0.430 499 I N -0.435 120.185 120.570 0.083 0.000 2.286 499 I HA -0.256 3.913 4.170 -0.001 0.000 0.248 499 I C 1.854 178.022 176.117 0.084 0.000 1.115 499 I CA 1.135 62.479 61.300 0.074 0.000 1.392 499 I CB -0.316 37.725 38.000 0.067 0.000 1.065 499 I HN 0.256 nan 8.210 nan 0.000 0.418 500 Y N 1.783 122.089 120.300 0.009 0.000 2.145 500 Y HA -0.225 4.324 4.550 -0.001 0.000 0.286 500 Y C 2.714 178.604 175.900 -0.017 0.000 1.145 500 Y CA 1.605 59.703 58.100 -0.003 0.000 1.148 500 Y CB -0.171 38.287 38.460 -0.004 0.000 0.981 500 Y HN -0.044 nan 8.280 nan 0.000 0.507 501 R N -0.131 120.427 120.500 0.098 0.000 2.096 501 R HA -0.160 4.179 4.340 -0.001 0.000 0.235 501 R C 1.375 177.616 176.300 -0.098 0.000 1.127 501 R CA 1.460 57.559 56.100 -0.002 0.000 0.968 501 R CB -0.342 29.991 30.300 0.055 0.000 0.861 501 R HN 0.357 nan 8.270 nan 0.000 0.440 502 D N 0.724 121.104 120.400 -0.034 0.000 2.378 502 D HA -0.058 4.581 4.640 -0.001 0.000 0.227 502 D C 1.622 177.863 176.300 -0.098 0.000 1.012 502 D CA 0.563 54.557 54.000 -0.010 0.000 0.905 502 D CB 0.028 40.887 40.800 0.099 0.000 0.895 502 D HN 0.233 nan 8.370 nan 0.000 0.532 503 L N 0.406 121.520 121.223 -0.182 0.000 2.265 503 L HA -0.114 4.226 4.340 -0.001 0.000 0.215 503 L C 2.373 179.111 176.870 -0.220 0.000 1.117 503 L CA 0.613 55.334 54.840 -0.198 0.000 0.782 503 L CB -0.340 41.530 42.059 -0.314 0.000 0.914 503 L HN -0.005 nan 8.230 nan 0.000 0.441 504 A N -0.919 121.712 122.820 -0.315 0.000 2.076 504 A HA -0.198 4.121 4.320 -0.001 0.000 0.220 504 A C 1.636 178.991 177.584 -0.382 0.000 1.160 504 A CA 1.255 53.075 52.037 -0.362 0.000 0.653 504 A CB -0.582 18.153 19.000 -0.441 0.000 0.801 504 A HN 0.455 nan 8.150 nan 0.000 0.455 505 H N -0.833 118.207 119.070 -0.050 0.000 2.519 505 H HA 0.329 4.884 4.556 -0.001 0.000 0.289 505 H C 0.168 175.471 175.328 -0.041 0.000 1.040 505 H CA -0.425 55.600 56.048 -0.038 0.000 1.165 505 H CB -0.452 29.294 29.762 -0.027 0.000 1.462 505 H HN 0.342 nan 8.280 nan 0.000 0.555 506 L N 1.306 122.531 121.223 0.004 0.000 2.499 506 L HA 0.001 4.341 4.340 -0.001 0.000 0.281 506 L C 0.781 177.639 176.870 -0.021 0.000 1.234 506 L CA 0.731 55.568 54.840 -0.006 0.000 0.839 506 L CB 0.533 42.569 42.059 -0.037 0.000 1.104 506 L HN 0.053 nan 8.230 nan 0.000 0.500 507 K N 1.520 121.899 120.400 -0.034 0.000 2.507 507 K HA 0.457 4.777 4.320 -0.001 0.000 0.252 507 K C -0.844 175.678 176.600 -0.131 0.000 0.943 507 K CA -0.545 55.666 56.287 -0.128 0.000 0.808 507 K CB 1.552 33.952 32.500 -0.166 0.000 1.142 507 K HN 0.710 nan 8.250 nan 0.000 0.426 508 T N -0.263 114.177 114.554 -0.191 0.000 2.926 508 T HA 0.524 4.874 4.350 -0.001 0.000 0.289 508 T C 0.201 174.783 174.700 -0.195 0.000 1.054 508 T CA -0.615 61.452 62.100 -0.054 0.000 1.015 508 T CB 0.800 69.652 68.868 -0.027 0.000 1.167 508 T HN 0.407 nan 8.240 nan 0.000 0.526 509 F N -1.052 118.891 119.950 -0.012 0.000 2.699 509 F HA 0.366 4.892 4.527 -0.001 0.000 0.295 509 F C 0.939 176.737 175.800 -0.004 0.000 1.052 509 F CA -0.567 57.434 58.000 0.002 0.000 1.239 509 F CB 0.212 39.217 39.000 0.008 0.000 1.018 509 F HN 0.486 nan 8.300 nan 0.000 0.627 510 D N 1.518 122.022 120.400 0.173 0.000 2.343 510 D HA 0.112 4.751 4.640 -0.001 0.000 0.255 510 D C 0.842 177.146 176.300 0.007 0.000 1.187 510 D CA 0.222 54.271 54.000 0.083 0.000 0.875 510 D CB 0.820 41.654 40.800 0.056 0.000 1.136 510 D HN -0.055 nan 8.370 nan 0.000 0.469 511 R N 2.608 123.121 120.500 0.021 0.000 2.393 511 R HA 0.243 4.582 4.340 -0.001 0.000 0.244 511 R C 0.945 177.234 176.300 -0.018 0.000 0.920 511 R CA -0.361 55.722 56.100 -0.028 0.000 1.076 511 R CB 0.328 30.706 30.300 0.130 0.000 1.119 511 R HN 0.380 nan 8.270 nan 0.000 0.524 512 G N 0.449 109.252 108.800 0.005 0.000 2.563 512 G HA2 0.259 4.218 3.960 -0.001 0.000 0.283 512 G HA3 0.259 4.218 3.960 -0.001 0.000 0.283 512 G C 0.397 175.296 174.900 -0.000 0.000 1.309 512 G CA -0.330 44.785 45.100 0.025 0.000 1.022 512 G HN 0.149 nan 8.290 nan 0.000 0.501 513 I N -1.809 118.779 120.570 0.031 0.000 4.624 513 I HA 0.256 4.426 4.170 -0.001 0.000 0.327 513 I C 0.449 176.585 176.117 0.031 0.000 1.295 513 I CA 0.018 61.335 61.300 0.029 0.000 1.267 513 I CB 0.894 38.936 38.000 0.071 0.000 1.249 513 I HN 0.120 nan 8.210 nan 0.000 0.440 514 V N 2.260 122.216 119.914 0.071 0.000 2.455 514 V HA 0.066 4.185 4.120 -0.001 0.000 0.273 514 V C -0.295 175.918 176.094 0.198 0.000 1.045 514 V CA -0.125 62.248 62.300 0.122 0.000 0.976 514 V CB -0.369 31.550 31.823 0.160 0.000 0.993 514 V HN 0.586 nan 8.190 nan 0.000 0.475 515 W N 3.828 125.126 121.300 -0.003 0.000 6.351 515 W HA -0.222 4.438 4.660 -0.000 0.000 0.403 515 W C 0.918 177.424 176.519 -0.021 0.000 1.540 515 W CA 0.448 57.788 57.345 -0.009 0.000 1.055 515 W CB -0.786 28.675 29.460 0.002 0.000 2.721 515 W HN 0.718 nan 8.180 nan 0.000 1.542 516 N N 0.821 119.528 118.700 0.011 0.000 2.663 516 N HA 0.089 4.828 4.740 -0.001 0.000 0.250 516 N C 1.285 176.761 175.510 -0.058 0.000 1.129 516 N CA 1.005 54.052 53.050 -0.004 0.000 0.995 516 N CB 0.622 39.076 38.487 -0.055 0.000 1.324 516 N HN 0.235 nan 8.380 nan 0.000 0.512 517 T N -0.785 113.780 114.554 0.018 0.000 3.055 517 T HA -0.089 4.260 4.350 -0.001 0.000 0.265 517 T C 1.307 175.989 174.700 -0.031 0.000 1.111 517 T CA 0.455 62.547 62.100 -0.014 0.000 1.118 517 T CB 0.140 69.063 68.868 0.092 0.000 0.909 517 T HN 0.227 nan 8.240 nan 0.000 0.501 518 D N 1.331 121.725 120.400 -0.010 0.000 2.097 518 D HA -0.080 4.560 4.640 -0.001 0.000 0.195 518 D C 1.913 178.185 176.300 -0.046 0.000 0.989 518 D CA 0.803 54.803 54.000 0.000 0.000 0.827 518 D CB -0.429 40.395 40.800 0.039 0.000 0.966 518 D HN 0.347 nan 8.370 nan 0.000 0.456 519 L N 0.170 121.339 121.223 -0.090 0.000 2.005 519 L HA -0.086 4.253 4.340 -0.001 0.000 0.207 519 L C 2.423 179.163 176.870 -0.217 0.000 1.072 519 L CA 1.386 56.138 54.840 -0.147 0.000 0.744 519 L CB -0.781 41.175 42.059 -0.173 0.000 0.895 519 L HN -0.050 nan 8.230 nan 0.000 0.433 520 V N 0.085 119.833 119.914 -0.277 0.000 2.332 520 V HA -0.310 3.810 4.120 -0.001 0.000 0.248 520 V C 2.542 178.463 176.094 -0.289 0.000 1.055 520 V CA 2.171 64.201 62.300 -0.450 0.000 1.038 520 V CB -0.721 30.828 31.823 -0.458 0.000 0.651 520 V HN 0.530 nan 8.190 nan 0.000 0.450 521 E N -0.389 119.727 120.200 -0.140 0.000 2.204 521 E HA -0.164 4.185 4.350 -0.001 0.000 0.195 521 E C 2.219 178.796 176.600 -0.038 0.000 0.990 521 E CA 1.600 57.969 56.400 -0.052 0.000 0.821 521 E CB -0.191 29.504 29.700 -0.009 0.000 0.750 521 E HN 0.619 nan 8.360 nan 0.000 0.477 522 T N 1.175 115.690 114.554 -0.066 0.000 2.857 522 T HA -0.055 4.295 4.350 -0.001 0.000 0.266 522 T C 1.935 176.603 174.700 -0.052 0.000 1.048 522 T CA 0.574 62.645 62.100 -0.048 0.000 1.139 522 T CB -0.075 68.759 68.868 -0.057 0.000 0.874 522 T HN 0.080 nan 8.240 nan 0.000 0.455 523 L N 0.788 121.947 121.223 -0.105 0.000 2.046 523 L HA -0.101 4.239 4.340 -0.001 0.000 0.208 523 L C 2.712 179.618 176.870 0.061 0.000 1.077 523 L CA 1.438 56.243 54.840 -0.059 0.000 0.747 523 L CB -0.554 41.385 42.059 -0.200 0.000 0.896 523 L HN 0.302 nan 8.230 nan 0.000 0.432 524 E N -0.106 120.132 120.200 0.063 0.000 2.110 524 E HA -0.264 4.085 4.350 -0.001 0.000 0.193 524 E C 2.089 178.745 176.600 0.092 0.000 0.988 524 E CA 1.092 57.580 56.400 0.146 0.000 0.804 524 E CB -0.166 29.620 29.700 0.144 0.000 0.745 524 E HN 0.273 nan 8.360 nan 0.000 0.458 525 L N 1.305 122.562 121.223 0.055 0.000 2.046 525 L HA -0.216 4.123 4.340 -0.001 0.000 0.208 525 L C 2.055 178.955 176.870 0.050 0.000 1.077 525 L CA 1.761 56.632 54.840 0.050 0.000 0.747 525 L CB -0.245 41.834 42.059 0.032 0.000 0.896 525 L HN 0.050 nan 8.230 nan 0.000 0.432 526 Q N -0.625 119.198 119.800 0.038 0.000 2.084 526 Q HA -0.193 4.147 4.340 -0.001 0.000 0.202 526 Q C 1.930 177.976 176.000 0.076 0.000 0.978 526 Q CA 1.646 57.477 55.803 0.046 0.000 0.844 526 Q CB -0.255 28.499 28.738 0.027 0.000 0.898 526 Q HN 0.581 nan 8.270 nan 0.000 0.426 527 N N 0.706 119.448 118.700 0.071 0.000 2.106 527 N HA -0.110 4.630 4.740 -0.001 0.000 0.188 527 N C 1.856 177.376 175.510 0.017 0.000 1.029 527 N CA 0.967 54.045 53.050 0.047 0.000 0.848 527 N CB -0.318 38.210 38.487 0.069 0.000 1.007 527 N HN 0.181 nan 8.380 nan 0.000 0.423 528 L N 0.373 121.623 121.223 0.044 0.000 2.042 528 L HA -0.117 4.223 4.340 -0.001 0.000 0.210 528 L C 2.336 179.217 176.870 0.019 0.000 1.076 528 L CA 0.944 55.807 54.840 0.038 0.000 0.749 528 L CB -0.299 41.805 42.059 0.075 0.000 0.893 528 L HN 0.157 nan 8.230 nan 0.000 0.432 529 M N -0.713 118.924 119.600 0.062 0.000 2.159 529 M HA -0.181 4.298 4.480 -0.001 0.000 0.263 529 M C 2.342 178.669 176.300 0.046 0.000 1.063 529 M CA 1.698 57.057 55.300 0.099 0.000 1.110 529 M CB -0.815 31.917 32.600 0.220 0.000 1.374 529 M HN 0.278 nan 8.290 nan 0.000 0.411 530 L N -1.055 120.181 121.223 0.022 0.000 2.093 530 L HA -0.246 4.093 4.340 -0.001 0.000 0.208 530 L C 2.597 179.369 176.870 -0.165 0.000 1.085 530 L CA 0.923 55.717 54.840 -0.077 0.000 0.755 530 L CB -0.670 41.358 42.059 -0.053 0.000 0.904 530 L HN 0.335 nan 8.230 nan 0.000 0.435 531 C N -0.401 118.763 119.300 -0.226 0.000 2.453 531 C HA -0.085 4.374 4.460 -0.001 0.000 0.277 531 C C 3.152 177.957 174.990 -0.308 0.000 1.262 531 C CA 0.597 59.335 59.018 -0.468 0.000 1.718 531 C CB -0.985 26.250 27.740 -0.842 0.000 2.031 531 C HN 0.613 nan 8.230 nan 0.000 0.480 532 A N 0.585 123.324 122.820 -0.135 0.000 1.883 532 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 532 A C 2.127 179.704 177.584 -0.012 0.000 1.186 532 A CA 1.664 53.681 52.037 -0.034 0.000 0.624 532 A CB -0.740 18.252 19.000 -0.013 0.000 0.822 532 A HN 0.608 nan 8.150 nan 0.000 0.444 533 L N -0.975 120.237 121.223 -0.017 0.000 2.012 533 L HA -0.298 4.041 4.340 -0.001 0.000 0.210 533 L C 2.972 179.898 176.870 0.092 0.000 1.073 533 L CA 1.945 56.817 54.840 0.053 0.000 0.748 533 L CB -0.609 41.398 42.059 -0.086 0.000 0.891 533 L HN 0.499 nan 8.230 nan 0.000 0.431 534 Q N -1.008 118.773 119.800 -0.032 0.000 2.124 534 Q HA -0.174 4.166 4.340 -0.001 0.000 0.202 534 Q C 2.162 178.173 176.000 0.018 0.000 0.977 534 Q CA 1.976 57.762 55.803 -0.028 0.000 0.850 534 Q CB -0.213 28.456 28.738 -0.115 0.000 0.901 534 Q HN 0.499 nan 8.270 nan 0.000 0.429 535 T N 1.214 115.777 114.554 0.014 0.000 2.674 535 T HA -0.151 4.198 4.350 -0.001 0.000 0.265 535 T C 1.793 176.519 174.700 0.045 0.000 1.039 535 T CA 1.093 63.231 62.100 0.064 0.000 1.150 535 T CB -0.195 68.767 68.868 0.157 0.000 0.864 535 T HN 0.252 nan 8.240 nan 0.000 0.427 536 I N -0.581 120.011 120.570 0.037 0.000 2.439 536 I HA -0.094 4.076 4.170 -0.001 0.000 0.251 536 I C 1.901 177.962 176.117 -0.094 0.000 1.139 536 I CA 1.127 62.411 61.300 -0.027 0.000 1.438 536 I CB 0.012 37.967 38.000 -0.075 0.000 1.085 536 I HN 0.242 nan 8.210 nan 0.000 0.427 537 Y N 0.557 120.839 120.300 -0.030 0.000 2.242 537 Y HA -0.098 4.452 4.550 -0.001 0.000 0.291 537 Y C 2.526 178.412 175.900 -0.024 0.000 1.137 537 Y CA 1.603 59.688 58.100 -0.025 0.000 1.181 537 Y CB -0.885 37.554 38.460 -0.035 0.000 0.989 537 Y HN 0.177 nan 8.280 nan 0.000 0.527 538 G N -0.516 108.341 108.800 0.096 0.000 2.418 538 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.217 538 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.217 538 G C 1.892 176.728 174.900 -0.107 0.000 1.158 538 G CA 0.969 46.079 45.100 0.016 0.000 0.771 538 G HN 0.465 nan 8.290 nan 0.000 0.545 539 A N 0.489 123.230 122.820 -0.133 0.000 1.902 539 A HA -0.034 4.286 4.320 -0.001 0.000 0.217 539 A C 2.206 179.761 177.584 -0.048 0.000 1.181 539 A CA 2.011 53.953 52.037 -0.157 0.000 0.623 539 A CB -0.411 18.599 19.000 0.017 0.000 0.818 539 A HN 0.336 nan 8.150 nan 0.000 0.443 540 E N 0.444 120.615 120.200 -0.047 0.000 2.110 540 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 540 E C 2.110 178.683 176.600 -0.044 0.000 0.988 540 E CA 1.319 57.695 56.400 -0.041 0.000 0.804 540 E CB -0.295 29.346 29.700 -0.098 0.000 0.745 540 E HN 0.471 nan 8.360 nan 0.000 0.458 541 A N 1.158 123.966 122.820 -0.021 0.000 1.968 541 A HA -0.075 4.245 4.320 -0.001 0.000 0.217 541 A C 1.857 179.296 177.584 -0.242 0.000 1.169 541 A CA 0.463 52.512 52.037 0.020 0.000 0.638 541 A CB -0.318 18.812 19.000 0.216 0.000 0.812 541 A HN 0.103 nan 8.150 nan 0.000 0.446 542 R N 1.131 121.356 120.500 -0.458 0.000 2.351 542 R HA 0.146 4.485 4.340 -0.001 0.000 0.321 542 R C -0.898 174.866 176.300 -0.893 0.000 1.182 542 R CA 0.025 55.481 56.100 -1.074 0.000 1.011 542 R CB -0.190 29.624 30.300 -0.810 0.000 1.048 542 R HN 0.194 nan 8.270 nan 0.000 0.490 543 K N 4.753 124.346 120.400 -1.344 0.000 2.333 543 K HA 0.060 4.379 4.320 -0.001 0.000 0.241 543 K C -0.790 175.310 176.600 -0.834 0.000 1.193 543 K CA -0.140 55.490 56.287 -1.095 0.000 1.142 543 K CB 0.322 32.031 32.500 -1.318 0.000 1.731 543 K HN 0.687 nan 8.250 nan 0.000 0.344 544 E N -1.654 118.291 120.200 -0.425 0.000 2.435 544 E HA 0.345 4.694 4.350 -0.001 0.000 0.277 544 E C -1.304 175.316 176.600 0.034 0.000 1.106 544 E CA -1.107 55.243 56.400 -0.084 0.000 0.868 544 E CB 0.924 30.582 29.700 -0.069 0.000 1.454 544 E HN -0.071 nan 8.360 nan 0.000 0.452 545 S N -0.049 115.716 115.700 0.109 0.000 2.552 545 S HA 0.653 5.123 4.470 -0.001 0.000 0.314 545 S C -1.064 173.658 174.600 0.204 0.000 1.099 545 S CA -0.757 57.510 58.200 0.112 0.000 1.070 545 S CB 1.061 64.315 63.200 0.091 0.000 0.998 545 S HN 0.487 nan 8.310 nan 0.000 0.474 546 R N 1.902 122.580 120.500 0.296 0.000 2.522 546 R HA 0.539 4.878 4.340 -0.001 0.000 0.283 546 R C 0.660 177.184 176.300 0.374 0.000 1.074 546 R CA 0.270 56.566 56.100 0.327 0.000 0.925 546 R CB 0.901 31.423 30.300 0.370 0.000 1.205 546 R HN 0.894 nan 8.270 nan 0.000 0.436 547 G N 2.444 111.391 108.800 0.245 0.000 2.652 547 G HA2 -0.464 3.495 3.960 -0.001 0.000 0.318 547 G HA3 -0.464 3.495 3.960 -0.001 0.000 0.318 547 G C 0.806 175.854 174.900 0.246 0.000 1.295 547 G CA 0.731 45.958 45.100 0.211 0.000 0.999 547 G HN 0.930 nan 8.290 nan 0.000 0.548 548 A N -0.583 122.426 122.820 0.315 0.000 2.172 548 A HA 0.225 4.544 4.320 -0.001 0.000 0.216 548 A C 1.227 178.988 177.584 0.294 0.000 1.154 548 A CA 2.100 54.314 52.037 0.294 0.000 0.701 548 A CB -0.368 18.822 19.000 0.317 0.000 0.789 548 A HN 1.446 nan 8.150 nan 0.000 0.465 549 H N -0.003 119.201 119.070 0.224 0.000 2.705 549 H HA 0.603 5.158 4.556 -0.001 0.000 0.291 549 H C -0.389 174.972 175.328 0.055 0.000 1.085 549 H CA -0.242 55.829 56.048 0.038 0.000 1.357 549 H CB 0.438 30.076 29.762 -0.207 0.000 1.419 549 H HN 0.172 nan 8.280 nan 0.000 0.462 550 A N 6.638 129.301 122.820 -0.262 0.000 2.310 550 A HA 0.508 4.827 4.320 -0.001 0.000 0.304 550 A C -0.482 176.991 177.584 -0.186 0.000 1.231 550 A CA -0.994 50.938 52.037 -0.175 0.000 0.799 550 A CB 0.559 19.472 19.000 -0.146 0.000 1.162 550 A HN 0.678 nan 8.150 nan 0.000 0.486 551 R N 2.240 122.641 120.500 -0.165 0.000 2.255 551 R HA 0.246 4.586 4.340 -0.001 0.000 0.326 551 R C 0.044 176.371 176.300 0.045 0.000 0.986 551 R CA -0.297 55.766 56.100 -0.062 0.000 0.847 551 R CB 1.395 31.684 30.300 -0.019 0.000 1.111 551 R HN 0.869 nan 8.270 nan 0.000 0.452 552 E N 1.003 121.228 120.200 0.041 0.000 2.427 552 E HA -0.134 4.215 4.350 -0.001 0.000 0.196 552 E C 0.360 176.923 176.600 -0.062 0.000 1.028 552 E CA 0.908 57.302 56.400 -0.010 0.000 0.864 552 E CB 0.385 30.048 29.700 -0.060 0.000 0.813 552 E HN 0.538 nan 8.360 nan 0.000 0.514 553 D N -0.879 119.478 120.400 -0.071 0.000 2.360 553 D HA -0.098 4.541 4.640 -0.001 0.000 0.210 553 D C -0.112 175.843 176.300 -0.574 0.000 1.047 553 D CA 0.186 54.033 54.000 -0.255 0.000 0.854 553 D CB -0.046 40.628 40.800 -0.210 0.000 0.936 553 D HN 0.162 nan 8.370 nan 0.000 0.514 554 Y N 0.455 120.743 120.300 -0.020 0.000 2.520 554 Y HA 0.321 4.870 4.550 -0.001 0.000 0.339 554 Y C 0.835 176.733 175.900 -0.002 0.000 1.113 554 Y CA -0.756 57.337 58.100 -0.011 0.000 1.255 554 Y CB 1.243 39.681 38.460 -0.036 0.000 1.099 554 Y HN -0.298 nan 8.280 nan 0.000 0.628 555 K N 0.908 121.360 120.400 0.085 0.000 2.365 555 K HA 0.088 4.408 4.320 -0.001 0.000 0.199 555 K C 0.105 176.772 176.600 0.111 0.000 1.045 555 K CA 0.710 57.049 56.287 0.087 0.000 0.962 555 K CB 0.381 32.914 32.500 0.054 0.000 0.759 555 K HN 0.419 nan 8.250 nan 0.000 0.469 556 L N 0.806 122.107 121.223 0.129 0.000 2.360 556 L HA 0.355 4.694 4.340 -0.001 0.000 0.271 556 L C 0.315 177.280 176.870 0.159 0.000 1.057 556 L CA -1.074 53.847 54.840 0.135 0.000 0.803 556 L CB 1.110 43.246 42.059 0.129 0.000 1.207 556 L HN -0.031 nan 8.230 nan 0.000 0.445 557 R N 1.815 122.412 120.500 0.162 0.000 2.340 557 R HA 0.467 4.806 4.340 -0.001 0.000 0.300 557 R C -0.998 175.423 176.300 0.201 0.000 1.069 557 R CA -0.267 55.947 56.100 0.189 0.000 0.984 557 R CB 0.492 30.904 30.300 0.187 0.000 1.003 557 R HN 0.543 nan 8.270 nan 0.000 0.459 558 I N 4.982 125.702 120.570 0.250 0.000 2.390 558 I HA 0.211 4.380 4.170 -0.001 0.000 0.283 558 I C -0.436 175.833 176.117 0.253 0.000 1.016 558 I CA -0.627 60.829 61.300 0.259 0.000 1.151 558 I CB 1.402 39.605 38.000 0.339 0.000 1.293 558 I HN 0.531 nan 8.210 nan 0.000 0.458 559 D N 4.869 125.369 120.400 0.166 0.000 2.549 559 D HA 0.110 4.749 4.640 -0.001 0.000 0.270 559 D C 1.184 177.363 176.300 -0.203 0.000 1.181 559 D CA -0.363 53.676 54.000 0.065 0.000 1.070 559 D CB 0.958 41.895 40.800 0.229 0.000 1.154 559 D HN 0.517 nan 8.370 nan 0.000 0.602 560 E N 0.082 119.949 120.200 -0.555 0.000 2.347 560 E HA -0.097 4.252 4.350 -0.001 0.000 0.196 560 E C -0.027 176.174 176.600 -0.665 0.000 1.008 560 E CA 0.885 56.814 56.400 -0.786 0.000 0.852 560 E CB 0.050 29.237 29.700 -0.855 0.000 0.783 560 E HN 0.353 nan 8.360 nan 0.000 0.505 561 F N 0.231 120.016 119.950 -0.273 0.000 2.629 561 F HA 0.254 4.781 4.527 -0.001 0.000 0.316 561 F C -0.199 175.380 175.800 -0.367 0.000 1.081 561 F CA -1.464 56.273 58.000 -0.438 0.000 0.954 561 F CB 1.563 40.033 39.000 -0.882 0.000 1.337 561 F HN -0.277 nan 8.300 nan 0.000 0.474 562 D N 0.850 121.219 120.400 -0.052 0.000 2.411 562 D HA 0.102 4.741 4.640 -0.001 0.000 0.225 562 D C -0.053 176.191 176.300 -0.094 0.000 1.156 562 D CA 0.015 54.004 54.000 -0.019 0.000 0.874 562 D CB 0.176 40.979 40.800 0.004 0.000 1.034 562 D HN 0.395 nan 8.370 nan 0.000 0.502 563 Y N 1.389 121.692 120.300 0.005 0.000 2.553 563 Y HA -0.054 4.496 4.550 -0.001 0.000 0.303 563 Y C 2.296 178.155 175.900 -0.068 0.000 1.194 563 Y CA 0.373 58.437 58.100 -0.060 0.000 1.305 563 Y CB 0.138 38.518 38.460 -0.132 0.000 1.045 563 Y HN 0.384 nan 8.280 nan 0.000 0.514 564 S N -1.492 114.251 115.700 0.072 0.000 2.575 564 S HA 0.188 4.657 4.470 -0.001 0.000 0.215 564 S C 0.371 174.975 174.600 0.007 0.000 0.966 564 S CA -0.315 57.908 58.200 0.038 0.000 0.911 564 S CB 0.080 63.303 63.200 0.039 0.000 0.780 564 S HN 0.171 nan 8.310 nan 0.000 0.514 565 K N 0.988 121.378 120.400 -0.017 0.000 2.352 565 K HA 0.588 4.907 4.320 -0.001 0.000 0.240 565 K C -3.194 173.360 176.600 -0.077 0.000 1.017 565 K CA -2.543 53.720 56.287 -0.040 0.000 0.851 565 K CB 0.720 33.196 32.500 -0.040 0.000 1.261 565 K HN -0.061 nan 8.250 nan 0.000 0.451 566 P HA 0.118 nan 4.420 nan 0.000 0.271 566 P C 0.197 177.392 177.300 -0.175 0.000 1.216 566 P CA -0.118 62.918 63.100 -0.107 0.000 0.776 566 P CB 0.527 32.179 31.700 -0.080 0.000 0.881 567 L N 0.220 121.294 121.223 -0.250 0.000 2.217 567 L HA -0.066 4.274 4.340 -0.001 0.000 0.211 567 L C 1.226 177.911 176.870 -0.308 0.000 1.107 567 L CA 0.585 55.174 54.840 -0.419 0.000 0.783 567 L CB -0.479 41.231 42.059 -0.582 0.000 0.919 567 L HN 0.442 nan 8.230 nan 0.000 0.442 568 Q N 1.240 120.926 119.800 -0.191 0.000 2.339 568 Q HA 0.082 4.421 4.340 -0.001 0.000 0.308 568 Q C 1.048 176.990 176.000 -0.096 0.000 1.097 568 Q CA 1.107 56.835 55.803 -0.125 0.000 1.007 568 Q CB 0.087 28.773 28.738 -0.087 0.000 1.051 568 Q HN 0.383 nan 8.270 nan 0.000 0.381 569 G N 3.033 111.789 108.800 -0.072 0.000 2.184 569 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.264 569 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.264 569 G C -0.041 174.848 174.900 -0.019 0.000 0.975 569 G CA 0.338 45.416 45.100 -0.036 0.000 0.642 569 G HN 0.623 nan 8.290 nan 0.000 0.536 570 Q N -0.348 119.429 119.800 -0.038 0.000 2.340 570 Q HA 0.450 4.790 4.340 -0.001 0.000 0.249 570 Q C 0.183 176.271 176.000 0.147 0.000 0.957 570 Q CA -0.289 55.534 55.803 0.033 0.000 0.882 570 Q CB 0.899 29.634 28.738 -0.004 0.000 1.235 570 Q HN 0.258 nan 8.270 nan 0.000 0.439 571 Q N 2.756 122.634 119.800 0.130 0.000 2.349 571 Q HA 0.105 4.445 4.340 -0.001 0.000 0.254 571 Q C -1.118 174.931 176.000 0.081 0.000 0.980 571 Q CA -0.025 55.841 55.803 0.106 0.000 0.924 571 Q CB 0.634 29.401 28.738 0.047 0.000 1.209 571 Q HN 0.301 nan 8.270 nan 0.000 0.445 572 K N 3.823 124.244 120.400 0.035 0.000 2.447 572 K HA 0.064 4.383 4.320 -0.001 0.000 0.281 572 K C -0.527 175.930 176.600 -0.238 0.000 1.031 572 K CA -0.002 56.058 56.287 -0.379 0.000 1.019 572 K CB 0.463 32.697 32.500 -0.444 0.000 0.918 572 K HN 0.614 nan 8.250 nan 0.000 0.476 573 R N 4.987 125.326 120.500 -0.269 0.000 2.491 573 R HA 0.142 4.482 4.340 -0.001 0.000 0.283 573 R C -2.164 174.136 176.300 -0.000 0.000 1.072 573 R CA -1.675 54.371 56.100 -0.091 0.000 1.048 573 R CB 0.281 30.556 30.300 -0.041 0.000 0.983 573 R HN 0.512 nan 8.270 nan 0.000 0.450 574 P HA -0.062 nan 4.420 nan 0.000 0.272 574 P C 0.135 177.475 177.300 0.067 0.000 1.223 574 P CA -0.209 62.918 63.100 0.045 0.000 0.784 574 P CB 0.388 32.092 31.700 0.006 0.000 0.923 575 F N 2.164 122.056 119.950 -0.097 0.000 2.115 575 F HA -0.265 4.261 4.527 -0.001 0.000 0.300 575 F C 1.599 177.100 175.800 -0.498 0.000 1.092 575 F CA 1.973 59.801 58.000 -0.285 0.000 1.245 575 F CB -0.415 38.497 39.000 -0.146 0.000 0.995 575 F HN 0.339 nan 8.300 nan 0.000 0.481 576 E N -0.174 119.867 120.200 -0.265 0.000 2.478 576 E HA -0.113 4.236 4.350 -0.001 0.000 0.198 576 E C 1.424 177.733 176.600 -0.485 0.000 1.046 576 E CA 0.998 57.157 56.400 -0.402 0.000 0.870 576 E CB -0.238 29.363 29.700 -0.165 0.000 0.818 576 E HN 0.566 nan 8.360 nan 0.000 0.527 577 E N -0.778 119.184 120.200 -0.398 0.000 2.538 577 E HA 0.083 4.432 4.350 -0.001 0.000 0.207 577 E C -0.221 176.201 176.600 -0.298 0.000 1.002 577 E CA -0.092 56.129 56.400 -0.298 0.000 0.952 577 E CB 0.296 29.922 29.700 -0.122 0.000 1.031 577 E HN 0.442 nan 8.360 nan 0.000 0.476 578 H N -4.315 114.455 119.070 -0.500 0.000 2.906 578 H HA 0.380 4.936 4.556 -0.001 0.000 0.337 578 H C -0.578 174.318 175.328 -0.720 0.000 1.257 578 H CA -1.141 54.659 56.048 -0.414 0.000 1.192 578 H CB 0.285 29.928 29.762 -0.198 0.000 1.912 578 H HN -0.048 nan 8.280 nan 0.000 0.573 579 W N -0.704 120.619 121.300 0.038 0.000 2.862 579 W HA 0.363 5.022 4.660 -0.001 0.000 0.376 579 W C 0.509 177.070 176.519 0.071 0.000 1.028 579 W CA -0.518 56.784 57.345 -0.070 0.000 1.757 579 W CB 0.885 30.328 29.460 -0.027 0.000 1.128 579 W HN 0.366 nan 8.180 nan 0.000 0.566 580 R N 3.444 124.222 120.500 0.463 0.000 3.268 580 R HA 0.122 4.461 4.340 -0.001 0.000 0.217 580 R C -0.230 176.203 176.300 0.223 0.000 1.568 580 R CA 0.398 56.678 56.100 0.300 0.000 1.322 580 R CB -0.801 29.631 30.300 0.220 0.000 1.280 580 R HN 0.016 nan 8.270 nan 0.000 0.667 581 K N 0.710 121.174 120.400 0.105 0.000 2.597 581 K HA 0.229 4.549 4.320 -0.001 0.000 0.282 581 K C -1.346 175.342 176.600 0.147 0.000 0.975 581 K CA -1.042 55.294 56.287 0.082 0.000 0.867 581 K CB 0.967 33.402 32.500 -0.109 0.000 1.465 581 K HN 0.164 nan 8.250 nan 0.000 0.417 582 H N 1.029 120.259 119.070 0.268 0.000 2.610 582 H HA 0.171 4.726 4.556 -0.001 0.000 0.336 582 H C -0.293 175.218 175.328 0.305 0.000 1.087 582 H CA -0.009 56.185 56.048 0.243 0.000 1.405 582 H CB 1.475 31.309 29.762 0.120 0.000 1.460 582 H HN 0.496 nan 8.280 nan 0.000 0.538 583 T N 4.776 119.583 114.554 0.421 0.000 2.832 583 T HA 0.302 4.651 4.350 -0.001 0.000 0.296 583 T C 0.736 175.427 174.700 -0.016 0.000 0.968 583 T CA -0.505 61.698 62.100 0.173 0.000 1.107 583 T CB 0.295 69.287 68.868 0.206 0.000 0.916 583 T HN 0.232 nan 8.240 nan 0.000 0.517 584 L N 3.582 124.686 121.223 -0.198 0.000 2.313 584 L HA 0.548 4.888 4.340 -0.001 0.000 0.283 584 L C 0.347 177.076 176.870 -0.235 0.000 1.013 584 L CA -0.715 54.008 54.840 -0.195 0.000 0.816 584 L CB 1.636 43.616 42.059 -0.131 0.000 1.236 584 L HN 0.701 nan 8.230 nan 0.000 0.419 585 S N 1.568 117.081 115.700 -0.312 0.000 2.536 585 S HA 0.800 5.269 4.470 -0.001 0.000 0.298 585 S C -1.157 173.175 174.600 -0.447 0.000 1.083 585 S CA -0.740 57.318 58.200 -0.237 0.000 0.995 585 S CB 1.714 64.828 63.200 -0.143 0.000 1.058 585 S HN 0.355 nan 8.310 nan 0.000 0.488 586 Y N -0.308 119.924 120.300 -0.113 0.000 2.553 586 Y HA 0.705 5.254 4.550 -0.001 0.000 0.347 586 Y C -0.586 175.232 175.900 -0.137 0.000 1.019 586 Y CA -1.085 56.950 58.100 -0.109 0.000 1.032 586 Y CB 2.245 40.650 38.460 -0.093 0.000 1.284 586 Y HN 0.624 nan 8.280 nan 0.000 0.466 587 V N 1.189 121.111 119.914 0.014 0.000 2.760 587 V HA 0.247 4.366 4.120 -0.001 0.000 0.309 587 V C -1.238 174.822 176.094 -0.056 0.000 1.077 587 V CA -1.026 61.223 62.300 -0.085 0.000 0.910 587 V CB 2.090 33.815 31.823 -0.164 0.000 1.008 587 V HN 0.775 nan 8.190 nan 0.000 0.424 588 D N 2.935 123.285 120.400 -0.083 0.000 2.365 588 D HA 0.296 4.936 4.640 -0.001 0.000 0.237 588 D C 0.833 177.109 176.300 -0.040 0.000 1.190 588 D CA -0.196 53.775 54.000 -0.049 0.000 0.867 588 D CB 1.718 42.485 40.800 -0.054 0.000 1.050 588 D HN 0.213 nan 8.370 nan 0.000 0.491 589 V N 4.502 124.419 119.914 0.005 0.000 2.594 589 V HA -0.197 3.922 4.120 -0.001 0.000 0.253 589 V C 2.245 178.434 176.094 0.159 0.000 1.069 589 V CA 1.468 63.815 62.300 0.079 0.000 1.082 589 V CB -0.472 31.392 31.823 0.069 0.000 0.680 589 V HN 0.613 nan 8.190 nan 0.000 0.469 590 K N 0.579 121.032 120.400 0.088 0.000 2.062 590 K HA -0.098 4.221 4.320 -0.001 0.000 0.205 590 K C 2.372 179.052 176.600 0.133 0.000 1.051 590 K CA 1.722 58.061 56.287 0.087 0.000 0.941 590 K CB -0.172 32.350 32.500 0.036 0.000 0.719 590 K HN 0.644 nan 8.250 nan 0.000 0.440 591 S N -1.386 114.369 115.700 0.093 0.000 2.483 591 S HA 0.131 4.600 4.470 -0.001 0.000 0.221 591 S C 1.457 176.105 174.600 0.080 0.000 1.030 591 S CA 0.491 58.742 58.200 0.084 0.000 0.925 591 S CB 0.728 63.934 63.200 0.010 0.000 0.795 591 S HN 0.407 nan 8.310 nan 0.000 0.511 592 G N 1.468 110.212 108.800 -0.094 0.000 2.157 592 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.239 592 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.239 592 G C -0.065 174.599 174.900 -0.393 0.000 0.982 592 G CA 0.186 44.955 45.100 -0.551 0.000 0.650 592 G HN 0.738 nan 8.290 nan 0.000 0.527 593 K N 0.883 121.137 120.400 -0.243 0.000 2.379 593 K HA 0.474 4.793 4.320 -0.001 0.000 0.284 593 K C 0.310 176.735 176.600 -0.292 0.000 1.044 593 K CA -0.354 55.777 56.287 -0.259 0.000 0.974 593 K CB 0.616 33.023 32.500 -0.156 0.000 0.962 593 K HN 0.035 nan 8.250 nan 0.000 0.474 594 V N 4.032 123.690 119.914 -0.426 0.000 2.439 594 V HA 0.226 4.346 4.120 -0.001 0.000 0.282 594 V C -0.093 175.882 176.094 -0.198 0.000 1.039 594 V CA -0.562 61.536 62.300 -0.337 0.000 0.913 594 V CB 1.665 33.187 31.823 -0.500 0.000 0.983 594 V HN 0.851 nan 8.190 nan 0.000 0.460 595 T N 6.348 120.861 114.554 -0.068 0.000 2.829 595 T HA 0.705 5.054 4.350 -0.001 0.000 0.280 595 T C -0.515 174.224 174.700 0.065 0.000 0.999 595 T CA -0.361 61.731 62.100 -0.013 0.000 0.983 595 T CB 1.152 69.997 68.868 -0.039 0.000 0.968 595 T HN 0.361 nan 8.240 nan 0.000 0.446 596 L N 2.893 124.133 121.223 0.028 0.000 2.346 596 L HA 0.677 5.017 4.340 -0.001 0.000 0.274 596 L C 0.094 176.893 176.870 -0.118 0.000 1.007 596 L CA -0.939 53.872 54.840 -0.048 0.000 0.818 596 L CB 1.761 43.784 42.059 -0.060 0.000 1.284 596 L HN 0.411 nan 8.230 nan 0.000 0.424 597 K N 1.460 121.708 120.400 -0.253 0.000 2.439 597 K HA 0.671 4.991 4.320 -0.001 0.000 0.260 597 K C -1.807 174.454 176.600 -0.565 0.000 1.032 597 K CA -0.974 55.200 56.287 -0.188 0.000 0.882 597 K CB 2.587 35.143 32.500 0.094 0.000 1.420 597 K HN 0.243 nan 8.250 nan 0.000 0.455 598 Y N 0.150 120.553 120.300 0.170 0.000 2.553 598 Y HA 0.442 4.991 4.550 -0.001 0.000 0.347 598 Y C -0.423 175.614 175.900 0.228 0.000 1.019 598 Y CA -1.072 57.130 58.100 0.170 0.000 1.032 598 Y CB 2.166 40.641 38.460 0.025 0.000 1.284 598 Y HN 0.496 nan 8.280 nan 0.000 0.466 599 R N 0.599 121.286 120.500 0.313 0.000 2.771 599 R HA 0.723 5.063 4.340 -0.001 0.000 0.274 599 R C -3.474 173.021 176.300 0.325 0.000 0.987 599 R CA -2.301 53.814 56.100 0.025 0.000 0.908 599 R CB 2.025 31.972 30.300 -0.589 0.000 1.213 599 R HN 0.215 nan 8.270 nan 0.000 0.468 600 P HA 0.017 nan 4.420 nan 0.000 0.272 600 P C -0.456 177.006 177.300 0.270 0.000 1.223 600 P CA -0.486 62.786 63.100 0.287 0.000 0.784 600 P CB 0.622 32.389 31.700 0.112 0.000 0.923 601 V N 3.703 123.728 119.914 0.185 0.000 2.649 601 V HA 0.128 4.247 4.120 -0.001 0.000 0.292 601 V C 0.717 176.920 176.094 0.182 0.000 1.055 601 V CA -0.129 62.240 62.300 0.116 0.000 1.023 601 V CB 0.426 32.247 31.823 -0.002 0.000 0.992 601 V HN 0.361 nan 8.190 nan 0.000 0.480 602 I N 4.118 124.810 120.570 0.204 0.000 2.301 602 I HA 0.213 4.382 4.170 -0.001 0.000 0.292 602 I C 0.632 176.849 176.117 0.167 0.000 1.046 602 I CA -0.075 61.327 61.300 0.170 0.000 1.282 602 I CB 0.865 38.962 38.000 0.161 0.000 1.409 602 I HN 0.630 nan 8.210 nan 0.000 0.484 603 D N 5.100 125.599 120.400 0.166 0.000 2.346 603 D HA -0.013 4.626 4.640 -0.001 0.000 0.206 603 D C 0.995 177.411 176.300 0.193 0.000 1.001 603 D CA 0.288 54.399 54.000 0.186 0.000 0.871 603 D CB 0.238 41.148 40.800 0.183 0.000 0.943 603 D HN 0.528 nan 8.370 nan 0.000 0.518 604 R N 1.505 122.101 120.500 0.161 0.000 2.594 604 R HA 0.232 4.571 4.340 -0.001 0.000 0.272 604 R C 0.532 176.933 176.300 0.168 0.000 1.074 604 R CA -0.019 56.169 56.100 0.148 0.000 1.105 604 R CB 0.337 30.703 30.300 0.109 0.000 1.008 604 R HN -0.101 nan 8.270 nan 0.000 0.472 605 T N -0.591 114.068 114.554 0.176 0.000 2.902 605 T HA 0.239 4.589 4.350 -0.001 0.000 0.287 605 T C 1.297 176.078 174.700 0.135 0.000 1.048 605 T CA -0.956 61.284 62.100 0.233 0.000 0.941 605 T CB 0.538 69.544 68.868 0.230 0.000 1.432 605 T HN 0.585 nan 8.240 nan 0.000 0.586 606 L N 0.334 121.638 121.223 0.134 0.000 2.558 606 L HA 0.348 4.688 4.340 -0.001 0.000 0.225 606 L C 0.737 177.619 176.870 0.019 0.000 1.128 606 L CA 0.287 55.029 54.840 -0.164 0.000 0.868 606 L CB -0.240 41.451 42.059 -0.612 0.000 1.006 606 L HN 0.663 nan 8.230 nan 0.000 0.454 607 N N -0.350 118.466 118.700 0.194 0.000 3.261 607 N HA -0.030 4.709 4.740 -0.001 0.000 0.227 607 N C 0.298 175.877 175.510 0.115 0.000 1.338 607 N CA -0.049 53.091 53.050 0.149 0.000 0.833 607 N CB 0.859 39.456 38.487 0.183 0.000 1.606 607 N HN -0.107 nan 8.380 nan 0.000 0.649 608 E N 1.921 122.165 120.200 0.073 0.000 2.130 608 E HA -0.178 4.172 4.350 -0.001 0.000 0.196 608 E C 0.666 177.276 176.600 0.017 0.000 0.998 608 E CA 1.969 58.395 56.400 0.043 0.000 0.806 608 E CB 0.384 30.113 29.700 0.047 0.000 0.738 608 E HN 0.624 nan 8.360 nan 0.000 0.459 609 E N 0.070 120.286 120.200 0.027 0.000 2.072 609 E HA -0.119 4.230 4.350 -0.001 0.000 0.191 609 E C 1.624 178.226 176.600 0.003 0.000 0.985 609 E CA 1.503 57.912 56.400 0.015 0.000 0.801 609 E CB -0.267 29.448 29.700 0.026 0.000 0.750 609 E HN 0.316 nan 8.360 nan 0.000 0.452 610 D N -1.391 119.023 120.400 0.023 0.000 2.271 610 D HA -0.002 4.637 4.640 -0.001 0.000 0.206 610 D C -0.582 175.657 176.300 -0.102 0.000 0.967 610 D CA 0.284 54.293 54.000 0.014 0.000 0.867 610 D CB 0.422 41.295 40.800 0.121 0.000 0.960 610 D HN 0.135 nan 8.370 nan 0.000 0.509 611 C N 1.435 120.639 119.300 -0.161 0.000 2.789 611 C HA 0.570 5.030 4.460 -0.001 0.000 0.367 611 C C -0.478 174.363 174.990 -0.248 0.000 1.062 611 C CA -0.643 58.146 59.018 -0.382 0.000 1.297 611 C CB -0.493 26.767 27.740 -0.799 0.000 1.794 611 C HN 0.292 nan 8.230 nan 0.000 0.474 612 S N 4.061 119.683 115.700 -0.129 0.000 2.586 612 S HA 0.554 5.023 4.470 -0.001 0.000 0.274 612 S C 0.227 174.900 174.600 0.122 0.000 1.281 612 S CA -0.246 57.949 58.200 -0.009 0.000 1.035 612 S CB 1.583 64.780 63.200 -0.005 0.000 0.962 612 S HN 1.130 nan 8.310 nan 0.000 0.512 613 S N 1.012 116.816 115.700 0.173 0.000 2.563 613 S HA 0.230 4.699 4.470 -0.001 0.000 0.284 613 S C -0.302 174.479 174.600 0.301 0.000 1.331 613 S CA -0.620 57.754 58.200 0.289 0.000 1.047 613 S CB -0.218 63.111 63.200 0.215 0.000 0.859 613 S HN 0.655 nan 8.310 nan 0.000 0.514 614 V N 8.104 128.246 119.914 0.380 0.000 2.328 614 V HA 0.403 4.522 4.120 -0.001 0.000 0.278 614 V C -1.868 174.456 176.094 0.383 0.000 1.021 614 V CA -1.727 60.805 62.300 0.387 0.000 0.838 614 V CB 1.010 33.094 31.823 0.436 0.000 0.999 614 V HN 0.794 nan 8.190 nan 0.000 0.447 615 P HA 0.283 nan 4.420 nan 0.000 0.272 615 P C -2.786 174.125 177.300 -0.648 0.000 1.230 615 P CA -1.847 61.192 63.100 -0.101 0.000 0.788 615 P CB 0.092 31.755 31.700 -0.062 0.000 0.949 616 P HA 0.223 nan 4.420 nan 0.000 0.266 616 P C -0.610 175.687 177.300 -1.672 0.000 1.195 616 P CA 0.636 62.351 63.100 -2.308 0.000 0.768 616 P CB 0.218 30.850 31.700 -1.779 0.000 0.838 617 A N 3.018 124.849 122.820 -1.649 0.000 2.583 617 A HA 0.613 4.933 4.320 -0.001 0.000 0.289 617 A C -0.634 176.721 177.584 -0.382 0.000 1.151 617 A CA -0.838 50.796 52.037 -0.672 0.000 0.695 617 A CB 0.673 19.464 19.000 -0.348 0.000 1.290 617 A HN 0.411 nan 8.150 nan 0.000 0.419 618 I N 0.864 121.361 120.570 -0.122 0.000 2.692 618 I HA 0.183 4.352 4.170 -0.001 0.000 0.284 618 I C 0.905 177.046 176.117 0.040 0.000 1.159 618 I CA 0.405 61.697 61.300 -0.015 0.000 1.423 618 I CB 0.534 38.541 38.000 0.012 0.000 1.380 618 I HN 0.618 nan 8.210 nan 0.000 0.580 619 R N 5.355 125.914 120.500 0.097 0.000 2.320 619 R HA 0.458 4.798 4.340 -0.001 0.000 0.319 619 R C -1.190 175.117 176.300 0.012 0.000 0.969 619 R CA -0.270 55.891 56.100 0.101 0.000 0.857 619 R CB 0.953 31.402 30.300 0.248 0.000 1.160 619 R HN 0.825 nan 8.270 nan 0.000 0.491 620 S N 2.664 118.281 115.700 -0.139 0.000 2.564 620 S HA 0.545 5.015 4.470 -0.001 0.000 0.274 620 S C -1.193 173.195 174.600 -0.353 0.000 1.124 620 S CA -0.786 57.352 58.200 -0.103 0.000 0.869 620 S CB 1.273 64.470 63.200 -0.005 0.000 1.105 620 S HN 0.461 nan 8.310 nan 0.000 0.472 621 Y N 0.000 120.342 120.300 0.070 0.000 2.660 621 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 621 Y CA 0.000 58.132 58.100 0.053 0.000 1.940 621 Y CB 0.000 38.483 38.460 0.038 0.000 1.050 621 Y HN 0.000 nan 8.280 nan 0.000 0.758