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 2wqy_1_N 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 0.000 174.721 174.700 0.034 0.000 1.109 10 T CA 0.000 62.128 62.100 0.047 0.000 1.349 10 T CB 0.000 68.880 68.868 0.021 0.000 0.612 11 Q N 0.523 120.344 119.800 0.035 0.000 2.364 11 Q HA 0.114 4.454 4.340 -0.000 0.000 0.207 11 Q C -0.326 175.553 176.000 -0.202 0.000 0.970 11 Q CA 0.624 56.377 55.803 -0.084 0.000 0.888 11 Q CB -0.489 28.175 28.738 -0.123 0.000 0.951 11 Q HN 0.628 nan 8.270 nan 0.000 0.469 12 Y N 2.482 122.792 120.300 0.016 0.000 2.331 12 Y HA 0.358 4.908 4.550 -0.000 0.000 0.338 12 Y C -2.069 173.826 175.900 -0.009 0.000 0.992 12 Y CA -3.084 55.023 58.100 0.012 0.000 1.121 12 Y CB 1.116 39.587 38.460 0.018 0.000 1.184 12 Y HN 0.032 nan 8.280 nan 0.000 0.469 13 P HA 0.116 nan 4.420 nan 0.000 0.271 13 P C -0.906 176.398 177.300 0.007 0.000 1.220 13 P CA 0.007 63.125 63.100 0.030 0.000 0.768 13 P CB 1.382 33.087 31.700 0.008 0.000 0.848 14 V N 4.407 124.300 119.914 -0.035 0.000 2.417 14 V HA 0.263 4.383 4.120 -0.000 0.000 0.291 14 V C 0.334 176.328 176.094 -0.167 0.000 1.024 14 V CA -0.699 61.549 62.300 -0.087 0.000 0.861 14 V CB 2.064 33.860 31.823 -0.044 0.000 0.985 14 V HN 0.289 nan 8.190 nan 0.000 0.436 15 V N 3.690 123.424 119.914 -0.299 0.000 2.459 15 V HA 0.507 4.627 4.120 -0.000 0.000 0.295 15 V C -0.681 175.205 176.094 -0.346 0.000 1.029 15 V CA -0.582 61.503 62.300 -0.359 0.000 0.874 15 V CB 1.968 33.484 31.823 -0.512 0.000 0.985 15 V HN 0.825 nan 8.190 nan 0.000 0.438 16 D N 2.441 122.628 120.400 -0.356 0.000 2.192 16 D HA 0.533 5.173 4.640 -0.000 0.000 0.246 16 D C -0.492 175.535 176.300 -0.456 0.000 1.042 16 D CA -0.169 53.653 54.000 -0.296 0.000 0.847 16 D CB 1.015 41.719 40.800 -0.159 0.000 1.186 16 D HN 0.562 nan 8.370 nan 0.000 0.461 17 H N 0.782 119.744 119.070 -0.180 0.000 2.690 17 H HA 0.446 5.002 4.556 -0.000 0.000 0.368 17 H C -0.486 174.796 175.328 -0.077 0.000 1.150 17 H CA -0.604 55.368 56.048 -0.126 0.000 1.174 17 H CB 2.072 31.809 29.762 -0.041 0.000 1.684 17 H HN 0.312 nan 8.280 nan 0.000 0.538 18 E N 2.058 122.191 120.200 -0.113 0.000 2.218 18 E HA 0.391 4.741 4.350 -0.000 0.000 0.263 18 E C -1.180 175.237 176.600 -0.305 0.000 0.879 18 E CA -0.352 55.994 56.400 -0.090 0.000 0.762 18 E CB 2.036 31.677 29.700 -0.098 0.000 1.166 18 E HN 0.272 nan 8.360 nan 0.000 0.415 19 F N 0.435 120.449 119.950 0.107 0.000 2.650 19 F HA 0.233 4.760 4.527 -0.000 0.000 0.320 19 F C 1.145 176.998 175.800 0.089 0.000 1.091 19 F CA -0.733 57.328 58.000 0.103 0.000 0.962 19 F CB 1.620 40.681 39.000 0.102 0.000 1.363 19 F HN 0.350 nan 8.300 nan 0.000 0.482 20 D N 0.564 121.152 120.400 0.314 0.000 2.162 20 D HA 0.168 4.808 4.640 -0.000 0.000 0.203 20 D C 0.147 176.579 176.300 0.219 0.000 0.967 20 D CA 1.086 55.243 54.000 0.262 0.000 0.840 20 D CB 0.299 41.319 40.800 0.366 0.000 0.972 20 D HN 0.391 nan 8.370 nan 0.000 0.482 21 A N -0.068 122.864 122.820 0.187 0.000 2.549 21 A HA 0.570 4.890 4.320 -0.000 0.000 0.297 21 A C -1.231 176.318 177.584 -0.058 0.000 1.061 21 A CA -0.541 51.511 52.037 0.025 0.000 0.690 21 A CB 2.039 20.977 19.000 -0.104 0.000 1.287 21 A HN -0.109 nan 8.150 nan 0.000 0.402 22 V N 1.514 121.355 119.914 -0.122 0.000 2.531 22 V HA 0.539 4.659 4.120 -0.000 0.000 0.301 22 V C -0.615 175.328 176.094 -0.252 0.000 1.034 22 V CA -0.557 61.597 62.300 -0.244 0.000 0.865 22 V CB 1.640 33.345 31.823 -0.196 0.000 0.995 22 V HN 0.710 nan 8.190 nan 0.000 0.424 23 V N 5.399 125.122 119.914 -0.318 0.000 2.417 23 V HA 0.444 4.564 4.120 -0.000 0.000 0.291 23 V C -0.206 175.724 176.094 -0.272 0.000 1.024 23 V CA -0.617 61.528 62.300 -0.259 0.000 0.861 23 V CB 2.023 33.697 31.823 -0.248 0.000 0.985 23 V HN 0.616 nan 8.190 nan 0.000 0.436 24 V N 4.280 124.066 119.914 -0.213 0.000 2.318 24 V HA 0.901 5.021 4.120 -0.000 0.000 0.271 24 V C 0.560 176.560 176.094 -0.157 0.000 1.030 24 V CA 0.285 62.459 62.300 -0.211 0.000 0.844 24 V CB 0.555 32.264 31.823 -0.191 0.000 1.015 24 V HN 1.247 nan 8.190 nan 0.000 0.460 25 G N 3.833 112.548 108.800 -0.143 0.000 2.653 25 G HA2 0.458 4.418 3.960 -0.000 0.000 0.656 25 G HA3 0.458 4.418 3.960 -0.000 0.000 0.656 25 G C -0.447 174.415 174.900 -0.062 0.000 1.419 25 G CA -0.182 44.862 45.100 -0.094 0.000 0.862 25 G HN 1.308 nan 8.290 nan 0.000 0.639 26 A N 0.889 123.688 122.820 -0.035 0.000 2.674 26 A HA 0.812 5.132 4.320 -0.000 0.000 0.286 26 A C 1.115 178.684 177.584 -0.024 0.000 0.980 26 A CA 1.083 53.120 52.037 -0.000 0.000 1.028 26 A CB -0.081 18.927 19.000 0.013 0.000 1.199 26 A HN 2.059 nan 8.150 nan 0.000 0.499 27 G N -0.696 108.094 108.800 -0.017 0.000 2.574 27 G HA2 0.434 4.394 3.960 -0.000 0.000 0.248 27 G HA3 0.434 4.394 3.960 -0.000 0.000 0.248 27 G C 1.122 176.026 174.900 0.006 0.000 1.422 27 G CA 0.223 45.317 45.100 -0.010 0.000 1.051 27 G HN 0.548 nan 8.290 nan 0.000 0.560 28 G N -0.233 108.579 108.800 0.020 0.000 2.418 28 G HA2 0.071 4.031 3.960 -0.000 0.000 0.217 28 G HA3 0.071 4.031 3.960 -0.000 0.000 0.217 28 G C 1.917 176.833 174.900 0.027 0.000 1.158 28 G CA 1.924 47.046 45.100 0.037 0.000 0.771 28 G HN 0.865 nan 8.290 nan 0.000 0.545 29 A N 0.924 123.759 122.820 0.026 0.000 1.855 29 A HA 0.214 4.534 4.320 -0.000 0.000 0.215 29 A C 2.756 180.317 177.584 -0.039 0.000 1.191 29 A CA 2.060 54.103 52.037 0.009 0.000 0.613 29 A CB -1.241 17.782 19.000 0.037 0.000 0.829 29 A HN 0.537 nan 8.150 nan 0.000 0.442 30 G N -0.136 108.643 108.800 -0.036 0.000 2.469 30 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 30 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 30 G C 1.586 176.448 174.900 -0.064 0.000 1.150 30 G CA 1.153 46.215 45.100 -0.064 0.000 0.763 30 G HN 0.412 nan 8.290 nan 0.000 0.561 31 L N -0.380 120.841 121.223 -0.004 0.000 2.017 31 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 31 L C 2.946 179.733 176.870 -0.138 0.000 1.073 31 L CA 1.329 56.212 54.840 0.071 0.000 0.745 31 L CB -0.312 41.845 42.059 0.162 0.000 0.894 31 L HN 0.165 nan 8.230 nan 0.000 0.432 32 R N 0.540 120.897 120.500 -0.238 0.000 2.096 32 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 32 R C 2.157 178.076 176.300 -0.635 0.000 1.127 32 R CA 1.701 57.448 56.100 -0.588 0.000 0.968 32 R CB -0.566 29.575 30.300 -0.265 0.000 0.861 32 R HN 0.335 nan 8.270 nan 0.000 0.440 33 A N 0.106 122.716 122.820 -0.351 0.000 1.873 33 A HA 0.028 4.348 4.320 -0.000 0.000 0.215 33 A C 2.371 179.755 177.584 -0.333 0.000 1.186 33 A CA 1.623 53.475 52.037 -0.308 0.000 0.616 33 A CB -1.102 17.769 19.000 -0.216 0.000 0.823 33 A HN 0.468 nan 8.150 nan 0.000 0.442 34 A N 0.093 122.750 122.820 -0.272 0.000 1.851 34 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 34 A C 1.992 179.474 177.584 -0.168 0.000 1.195 34 A CA 1.820 53.730 52.037 -0.211 0.000 0.622 34 A CB -1.008 17.904 19.000 -0.146 0.000 0.831 34 A HN 1.104 nan 8.150 nan 0.000 0.444 35 F N 0.040 119.878 119.950 -0.187 0.000 2.558 35 F HA 0.277 4.804 4.527 -0.000 0.000 0.298 35 F C 1.888 177.402 175.800 -0.478 0.000 1.119 35 F CA 0.393 58.166 58.000 -0.378 0.000 1.451 35 F CB -1.092 37.651 39.000 -0.428 0.000 1.091 35 F HN 0.087 nan 8.300 nan 0.000 0.563 36 G N 1.648 110.120 108.800 -0.546 0.000 2.402 36 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.216 36 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.216 36 G C 1.698 176.470 174.900 -0.214 0.000 1.162 36 G CA 1.012 45.894 45.100 -0.364 0.000 0.777 36 G HN 0.454 nan 8.290 nan 0.000 0.539 37 L N 0.692 121.778 121.223 -0.228 0.000 2.027 37 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 37 L C 3.218 180.112 176.870 0.041 0.000 1.074 37 L CA 1.255 55.997 54.840 -0.164 0.000 0.745 37 L CB -0.341 41.573 42.059 -0.241 0.000 0.898 37 L HN 0.162 nan 8.230 nan 0.000 0.433 38 S N -0.146 115.548 115.700 -0.010 0.000 2.383 38 S HA -0.226 4.244 4.470 -0.000 0.000 0.229 38 S C 1.728 176.386 174.600 0.097 0.000 1.030 38 S CA 1.712 59.956 58.200 0.073 0.000 1.002 38 S CB -0.353 62.895 63.200 0.079 0.000 0.829 38 S HN 0.607 nan 8.310 nan 0.000 0.467 39 E N 1.302 121.466 120.200 -0.060 0.000 2.347 39 E HA 0.059 4.409 4.350 -0.000 0.000 0.196 39 E C 1.502 178.187 176.600 0.140 0.000 1.008 39 E CA 0.868 57.321 56.400 0.089 0.000 0.852 39 E CB -0.167 29.541 29.700 0.013 0.000 0.783 39 E HN 0.462 nan 8.360 nan 0.000 0.505 40 A N 0.759 123.668 122.820 0.149 0.000 2.275 40 A HA 0.446 4.766 4.320 -0.000 0.000 0.212 40 A C 1.755 179.459 177.584 0.199 0.000 1.201 40 A CA 0.432 52.596 52.037 0.211 0.000 0.843 40 A CB -0.211 18.964 19.000 0.292 0.000 0.873 40 A HN 0.506 nan 8.150 nan 0.000 0.492 41 G N -1.795 107.097 108.800 0.153 0.000 2.176 41 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.232 41 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.232 41 G C -0.073 174.783 174.900 -0.073 0.000 0.986 41 G CA -0.002 45.105 45.100 0.013 0.000 0.643 41 G HN 0.301 nan 8.290 nan 0.000 0.522 42 F N 1.514 121.475 119.950 0.019 0.000 2.412 42 F HA 0.360 4.887 4.527 -0.000 0.000 0.348 42 F C 0.970 176.805 175.800 0.058 0.000 1.102 42 F CA -0.819 57.195 58.000 0.023 0.000 1.196 42 F CB 0.835 39.828 39.000 -0.012 0.000 1.144 42 F HN 0.100 nan 8.300 nan 0.000 0.541 43 N N 2.261 121.099 118.700 0.229 0.000 2.402 43 N HA 0.094 4.834 4.740 -0.000 0.000 0.259 43 N C -1.070 174.657 175.510 0.361 0.000 1.167 43 N CA -0.045 53.166 53.050 0.268 0.000 0.949 43 N CB 0.273 38.898 38.487 0.230 0.000 1.212 43 N HN 0.584 nan 8.380 nan 0.000 0.493 44 T N 1.822 116.512 114.554 0.226 0.000 2.855 44 T HA 0.574 4.924 4.350 -0.000 0.000 0.281 44 T C -0.430 174.080 174.700 -0.317 0.000 1.007 44 T CA -0.628 61.473 62.100 0.001 0.000 1.009 44 T CB 1.748 70.580 68.868 -0.060 0.000 0.983 44 T HN 0.522 nan 8.240 nan 0.000 0.455 45 A N 1.035 123.467 122.820 -0.646 0.000 2.330 45 A HA 0.661 4.981 4.320 -0.000 0.000 0.327 45 A C -0.295 176.894 177.584 -0.657 0.000 1.155 45 A CA -0.710 50.796 52.037 -0.885 0.000 0.803 45 A CB 0.785 18.893 19.000 -1.487 0.000 1.208 45 A HN 0.966 nan 8.150 nan 0.000 0.477 46 C N 3.601 122.506 119.300 -0.658 0.000 2.316 46 C HA 0.648 5.108 4.460 -0.000 0.000 0.324 46 C C -0.616 174.120 174.990 -0.424 0.000 1.226 46 C CA -0.285 58.385 59.018 -0.580 0.000 1.450 46 C CB -0.626 26.641 27.740 -0.789 0.000 2.123 46 C HN 0.666 nan 8.230 nan 0.000 0.454 47 V N 6.027 125.679 119.914 -0.436 0.000 2.370 47 V HA 0.665 4.785 4.120 -0.000 0.000 0.279 47 V C 0.464 176.440 176.094 -0.197 0.000 1.029 47 V CA 0.127 62.188 62.300 -0.398 0.000 0.870 47 V CB 1.579 32.996 31.823 -0.678 0.000 0.984 47 V HN 0.926 nan 8.190 nan 0.000 0.451 48 T N 3.612 118.127 114.554 -0.065 0.000 2.952 48 T HA 0.347 4.697 4.350 -0.000 0.000 0.305 48 T C 0.688 175.421 174.700 0.054 0.000 1.064 48 T CA -0.647 61.440 62.100 -0.022 0.000 1.008 48 T CB 1.579 70.443 68.868 -0.007 0.000 1.078 48 T HN 0.824 nan 8.240 nan 0.000 0.459 49 K N 3.673 124.087 120.400 0.024 0.000 2.432 49 K HA 0.260 4.580 4.320 -0.000 0.000 0.196 49 K C 0.306 176.971 176.600 0.109 0.000 1.038 49 K CA 0.463 56.801 56.287 0.085 0.000 0.986 49 K CB -0.009 32.544 32.500 0.088 0.000 0.782 49 K HN 0.432 nan 8.250 nan 0.000 0.485 50 L N 0.512 121.791 121.223 0.094 0.000 2.309 50 L HA 0.411 4.751 4.340 -0.000 0.000 0.261 50 L C -0.445 176.492 176.870 0.111 0.000 1.021 50 L CA -1.608 53.311 54.840 0.132 0.000 0.823 50 L CB 1.147 43.267 42.059 0.102 0.000 1.366 50 L HN -0.108 nan 8.230 nan 0.000 0.423 51 F N 2.758 122.735 119.950 0.045 0.000 2.529 51 F HA 0.182 4.709 4.527 0.000 0.000 0.365 51 F C -1.558 174.176 175.800 -0.109 0.000 1.102 51 F CA -1.382 56.601 58.000 -0.030 0.000 1.271 51 F CB 0.790 39.762 39.000 -0.046 0.000 1.120 51 F HN 0.299 nan 8.300 nan 0.000 0.579 52 P HA -0.266 nan 4.420 nan 0.000 0.217 52 P C 1.434 178.443 177.300 -0.485 0.000 1.162 52 P CA 3.116 65.824 63.100 -0.653 0.000 0.901 52 P CB -0.286 30.974 31.700 -0.732 0.000 0.793 53 T N -3.880 110.308 114.554 -0.611 0.000 3.163 53 T HA 0.007 4.357 4.350 -0.000 0.000 0.260 53 T C 1.418 176.038 174.700 -0.133 0.000 1.156 53 T CA 0.437 62.287 62.100 -0.416 0.000 1.072 53 T CB -0.537 68.015 68.868 -0.527 0.000 0.937 53 T HN -0.038 nan 8.240 nan 0.000 0.528 54 R N 1.252 121.741 120.500 -0.019 0.000 2.300 54 R HA 0.333 4.673 4.340 -0.000 0.000 0.199 54 R C 0.771 177.097 176.300 0.044 0.000 0.920 54 R CA -0.074 56.066 56.100 0.067 0.000 1.046 54 R CB -0.396 29.987 30.300 0.138 0.000 0.984 54 R HN 0.385 nan 8.270 nan 0.000 0.493 55 S N 0.941 116.635 115.700 -0.009 0.000 2.573 55 S HA -0.057 4.413 4.470 -0.000 0.000 0.277 55 S C 1.153 175.781 174.600 0.048 0.000 1.346 55 S CA -0.213 57.999 58.200 0.020 0.000 1.034 55 S CB 0.693 63.883 63.200 -0.017 0.000 0.879 55 S HN 0.371 nan 8.310 nan 0.000 0.528 56 H N 2.423 121.489 119.070 -0.006 0.000 2.431 56 H HA -0.118 4.438 4.556 -0.000 0.000 0.297 56 H C 1.880 177.210 175.328 0.002 0.000 1.115 56 H CA 2.372 58.417 56.048 -0.006 0.000 1.277 56 H CB -0.542 29.204 29.762 -0.026 0.000 1.372 56 H HN 0.634 nan 8.280 nan 0.000 0.516 57 T N -0.795 113.726 114.554 -0.055 0.000 2.778 57 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 57 T C 2.163 176.808 174.700 -0.093 0.000 1.050 57 T CA 1.217 63.275 62.100 -0.070 0.000 1.137 57 T CB -0.649 68.209 68.868 -0.016 0.000 0.860 57 T HN 0.248 nan 8.240 nan 0.000 0.468 58 V N 1.042 120.908 119.914 -0.080 0.000 2.720 58 V HA -0.028 4.092 4.120 -0.000 0.000 0.256 58 V C 2.271 178.366 176.094 0.002 0.000 1.082 58 V CA 1.632 63.923 62.300 -0.015 0.000 1.101 58 V CB -0.619 31.208 31.823 0.007 0.000 0.693 58 V HN 0.533 nan 8.190 nan 0.000 0.479 59 A N -0.622 122.111 122.820 -0.145 0.000 2.275 59 A HA 0.633 4.953 4.320 -0.000 0.000 0.212 59 A C 1.250 178.755 177.584 -0.131 0.000 1.201 59 A CA 0.587 52.533 52.037 -0.153 0.000 0.843 59 A CB -0.351 18.489 19.000 -0.267 0.000 0.873 59 A HN 0.685 nan 8.150 nan 0.000 0.492 60 A N -0.362 122.388 122.820 -0.117 0.000 2.498 60 A HA 0.407 4.727 4.320 -0.000 0.000 0.239 60 A C 0.760 178.363 177.584 0.031 0.000 1.068 60 A CA 0.293 52.311 52.037 -0.032 0.000 0.766 60 A CB 0.244 19.235 19.000 -0.015 0.000 1.003 60 A HN 0.585 nan 8.150 nan 0.000 0.497 61 Q N 1.849 121.690 119.800 0.069 0.000 2.652 61 Q HA 0.128 4.467 4.340 -0.000 0.000 0.211 61 Q C 2.183 178.260 176.000 0.129 0.000 0.858 61 Q CA 0.471 56.330 55.803 0.093 0.000 0.895 61 Q CB -0.135 28.659 28.738 0.093 0.000 1.194 61 Q HN 0.884 nan 8.270 nan 0.000 0.645 62 G N 0.763 109.685 108.800 0.202 0.000 2.529 62 G HA2 0.059 4.019 3.960 -0.000 0.000 0.219 62 G HA3 0.059 4.019 3.960 -0.000 0.000 0.219 62 G C 0.642 175.566 174.900 0.040 0.000 1.177 62 G CA 1.137 46.407 45.100 0.282 0.000 0.773 62 G HN 0.546 nan 8.290 nan 0.000 0.573 63 G N -1.529 107.213 108.800 -0.098 0.000 2.352 63 G HA2 0.341 4.301 3.960 -0.000 0.000 0.283 63 G HA3 0.341 4.301 3.960 -0.000 0.000 0.283 63 G C -1.725 173.083 174.900 -0.154 0.000 1.308 63 G CA -0.256 44.777 45.100 -0.112 0.000 0.892 63 G HN 0.865 nan 8.290 nan 0.000 0.504 64 I N 0.341 120.859 120.570 -0.086 0.000 2.569 64 I HA 0.486 4.656 4.170 -0.000 0.000 0.290 64 I C -1.042 175.013 176.117 -0.103 0.000 1.088 64 I CA -1.119 60.146 61.300 -0.058 0.000 1.047 64 I CB 1.814 39.852 38.000 0.063 0.000 1.237 64 I HN 0.444 nan 8.210 nan 0.000 0.421 65 N N 6.263 124.893 118.700 -0.117 0.000 2.520 65 N HA 0.661 5.400 4.740 -0.000 0.000 0.273 65 N C -0.828 174.624 175.510 -0.098 0.000 1.155 65 N CA -0.142 52.805 53.050 -0.172 0.000 0.967 65 N CB 1.732 40.070 38.487 -0.249 0.000 1.092 65 N HN 0.708 nan 8.380 nan 0.000 0.457 66 A N 0.440 123.160 122.820 -0.167 0.000 2.547 66 A HA 0.603 4.923 4.320 -0.000 0.000 0.298 66 A C -0.682 176.850 177.584 -0.087 0.000 1.062 66 A CA -0.786 51.208 52.037 -0.072 0.000 0.748 66 A CB 0.643 19.596 19.000 -0.078 0.000 1.288 66 A HN 0.574 nan 8.150 nan 0.000 0.396 67 A N 2.525 125.346 122.820 0.003 0.000 3.048 67 A HA 0.478 4.798 4.320 -0.000 0.000 0.264 67 A C 0.822 178.390 177.584 -0.026 0.000 1.796 67 A CA -0.068 51.968 52.037 -0.001 0.000 1.445 67 A CB -1.070 17.973 19.000 0.071 0.000 1.074 67 A HN 0.890 nan 8.150 nan 0.000 0.621 68 L N 0.638 121.823 121.223 -0.063 0.000 2.240 68 L HA 0.102 4.442 4.340 -0.000 0.000 0.211 68 L C 1.906 178.742 176.870 -0.058 0.000 1.106 68 L CA 0.923 55.719 54.840 -0.073 0.000 0.793 68 L CB -0.164 41.828 42.059 -0.112 0.000 0.927 68 L HN 0.781 nan 8.230 nan 0.000 0.446 69 G N 0.104 108.876 108.800 -0.046 0.000 2.160 69 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.244 69 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.244 69 G C 0.555 175.439 174.900 -0.028 0.000 1.022 69 G CA 0.453 45.537 45.100 -0.027 0.000 0.741 69 G HN 0.320 nan 8.290 nan 0.000 0.508 70 N N -0.383 118.290 118.700 -0.044 0.000 2.396 70 N HA 0.045 4.785 4.740 -0.000 0.000 0.180 70 N C 2.187 177.682 175.510 -0.025 0.000 1.028 70 N CA 1.396 54.422 53.050 -0.040 0.000 0.893 70 N CB -0.103 38.348 38.487 -0.061 0.000 0.967 70 N HN 0.484 nan 8.380 nan 0.000 0.440 71 M N -0.241 119.343 119.600 -0.026 0.000 2.653 71 M HA 0.182 4.662 4.480 -0.000 0.000 0.259 71 M C 0.536 176.824 176.300 -0.020 0.000 1.244 71 M CA 0.658 55.938 55.300 -0.033 0.000 1.163 71 M CB -0.090 32.474 32.600 -0.060 0.000 1.309 71 M HN 0.095 nan 8.290 nan 0.000 0.509 72 E N 0.072 120.282 120.200 0.017 0.000 2.437 72 E HA 0.259 4.609 4.350 -0.000 0.000 0.280 72 E C -1.769 174.870 176.600 0.064 0.000 1.044 72 E CA -0.503 55.922 56.400 0.043 0.000 0.826 72 E CB 1.135 30.878 29.700 0.072 0.000 1.358 72 E HN -0.108 nan 8.360 nan 0.000 0.459 73 D N 0.530 120.980 120.400 0.083 0.000 2.414 73 D HA 0.325 4.965 4.640 -0.000 0.000 0.242 73 D C -0.790 175.599 176.300 0.147 0.000 1.129 73 D CA 1.002 55.051 54.000 0.083 0.000 0.885 73 D CB 0.628 41.480 40.800 0.086 0.000 1.198 73 D HN 0.286 nan 8.370 nan 0.000 0.437 74 D N 0.483 120.880 120.400 -0.004 0.000 2.636 74 D HA 0.424 5.064 4.640 -0.000 0.000 0.275 74 D C -1.466 174.506 176.300 -0.546 0.000 1.130 74 D CA -0.655 53.295 54.000 -0.082 0.000 1.031 74 D CB 1.424 42.225 40.800 0.001 0.000 1.451 74 D HN 0.212 nan 8.370 nan 0.000 0.505 75 N N 0.912 119.148 118.700 -0.773 0.000 2.455 75 N HA 0.054 4.794 4.740 -0.000 0.000 0.285 75 N C 0.802 175.995 175.510 -0.528 0.000 1.080 75 N CA -0.605 51.862 53.050 -0.971 0.000 0.932 75 N CB 0.895 38.145 38.487 -2.062 0.000 1.610 75 N HN 0.623 nan 8.380 nan 0.000 0.493 76 W N 4.307 125.438 121.300 -0.282 0.000 2.392 76 W HA -0.037 4.623 4.660 -0.000 0.000 0.279 76 W C 0.563 177.064 176.519 -0.031 0.000 1.225 76 W CA 0.317 57.613 57.345 -0.080 0.000 1.233 76 W CB -0.351 29.070 29.460 -0.066 0.000 1.122 76 W HN 0.445 nan 8.180 nan 0.000 0.561 77 R N -0.569 119.384 120.500 -0.912 0.000 2.237 77 R HA -0.108 4.232 4.340 -0.000 0.000 0.219 77 R C 1.972 178.211 176.300 -0.103 0.000 1.080 77 R CA 1.625 57.314 56.100 -0.685 0.000 0.995 77 R CB -0.556 29.236 30.300 -0.846 0.000 0.875 77 R HN 0.117 nan 8.270 nan 0.000 0.462 78 W N -0.060 121.015 121.300 -0.375 0.000 2.453 78 W HA -0.027 4.633 4.660 -0.000 0.000 0.289 78 W C 2.010 178.571 176.519 0.071 0.000 1.215 78 W CA 0.501 57.616 57.345 -0.383 0.000 1.297 78 W CB -1.073 28.153 29.460 -0.389 0.000 1.113 78 W HN 0.306 nan 8.180 nan 0.000 0.551 79 H N -1.300 117.914 119.070 0.240 0.000 2.389 79 H HA -0.194 4.362 4.556 -0.000 0.000 0.299 79 H C 2.234 177.717 175.328 0.258 0.000 1.081 79 H CA 1.476 57.658 56.048 0.224 0.000 1.345 79 H CB -0.385 29.500 29.762 0.204 0.000 1.393 79 H HN -0.001 nan 8.280 nan 0.000 0.520 80 F N 0.936 120.990 119.950 0.173 0.000 2.069 80 F HA -0.311 4.216 4.527 -0.000 0.000 0.298 80 F C 2.346 178.237 175.800 0.153 0.000 1.113 80 F CA 1.952 60.031 58.000 0.132 0.000 1.214 80 F CB -1.037 38.081 39.000 0.197 0.000 0.978 80 F HN 0.204 nan 8.300 nan 0.000 0.474 81 Y N 1.402 121.794 120.300 0.153 0.000 2.181 81 Y HA -0.236 4.314 4.550 -0.000 0.000 0.288 81 Y C 2.258 178.135 175.900 -0.037 0.000 1.146 81 Y CA 2.179 60.322 58.100 0.071 0.000 1.164 81 Y CB -0.784 37.921 38.460 0.408 0.000 0.982 81 Y HN 0.119 nan 8.280 nan 0.000 0.515 82 D N -0.862 119.598 120.400 0.100 0.000 2.144 82 D HA -0.149 4.491 4.640 -0.000 0.000 0.199 82 D C 2.058 178.289 176.300 -0.115 0.000 0.984 82 D CA 1.922 55.937 54.000 0.024 0.000 0.834 82 D CB -0.378 40.541 40.800 0.199 0.000 0.955 82 D HN 0.400 nan 8.370 nan 0.000 0.465 83 T N 0.357 114.835 114.554 -0.127 0.000 2.857 83 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 83 T C 2.287 176.772 174.700 -0.358 0.000 1.048 83 T CA 0.375 62.375 62.100 -0.166 0.000 1.139 83 T CB -0.113 68.673 68.868 -0.136 0.000 0.874 83 T HN -0.031 nan 8.240 nan 0.000 0.455 84 V N 1.785 121.351 119.914 -0.579 0.000 2.307 84 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 84 V C 2.535 178.004 176.094 -1.042 0.000 1.045 84 V CA 1.678 63.515 62.300 -0.771 0.000 1.024 84 V CB -0.498 30.808 31.823 -0.863 0.000 0.651 84 V HN 0.433 nan 8.190 nan 0.000 0.449 85 K N 0.339 120.128 120.400 -1.019 0.000 2.057 85 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 85 K C 2.160 178.414 176.600 -0.576 0.000 1.050 85 K CA 1.622 57.258 56.287 -1.085 0.000 0.935 85 K CB -0.626 31.442 32.500 -0.720 0.000 0.715 85 K HN 0.464 nan 8.250 nan 0.000 0.439 86 G N 0.567 109.185 108.800 -0.303 0.000 2.450 86 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 86 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 86 G C 1.451 176.265 174.900 -0.144 0.000 1.130 86 G CA 1.153 46.200 45.100 -0.088 0.000 0.760 86 G HN 0.517 nan 8.290 nan 0.000 0.557 87 S N -0.266 115.274 115.700 -0.266 0.000 2.607 87 S HA 0.036 4.506 4.470 -0.000 0.000 0.224 87 S C 1.002 175.471 174.600 -0.217 0.000 0.969 87 S CA 0.949 59.022 58.200 -0.212 0.000 0.927 87 S CB -0.009 63.057 63.200 -0.225 0.000 0.772 87 S HN 0.293 nan 8.310 nan 0.000 0.533 88 D N 0.608 120.837 120.400 -0.284 0.000 2.772 88 D HA -0.196 4.444 4.640 -0.000 0.000 0.233 88 D C -0.457 175.928 176.300 0.142 0.000 1.143 88 D CA 1.029 55.016 54.000 -0.022 0.000 0.700 88 D CB -2.026 38.848 40.800 0.123 0.000 1.076 88 D HN 0.689 nan 8.370 nan 0.000 0.430 89 W N -2.385 118.864 121.300 -0.086 0.000 4.141 89 W HA -0.312 4.348 4.660 0.000 0.000 0.336 89 W C 1.114 177.577 176.519 -0.094 0.000 1.258 89 W CA 0.516 57.804 57.345 -0.095 0.000 0.747 89 W CB -2.011 27.383 29.460 -0.111 0.000 2.338 89 W HN 0.307 nan 8.180 nan 0.000 1.410 90 L N -0.079 121.104 121.223 -0.068 0.000 2.664 90 L HA 0.424 4.763 4.340 -0.000 0.000 0.233 90 L C 1.571 178.383 176.870 -0.096 0.000 1.113 90 L CA 1.318 56.073 54.840 -0.143 0.000 0.896 90 L CB 0.016 41.925 42.059 -0.250 0.000 1.163 90 L HN -0.040 nan 8.230 nan 0.000 0.497 91 G N -0.400 108.345 108.800 -0.093 0.000 2.415 91 G HA2 0.225 4.185 3.960 -0.000 0.000 0.269 91 G HA3 0.225 4.185 3.960 -0.000 0.000 0.269 91 G C -0.880 174.037 174.900 0.029 0.000 1.209 91 G CA -0.486 44.589 45.100 -0.041 0.000 0.835 91 G HN 0.108 nan 8.290 nan 0.000 0.534 92 D N 1.719 122.174 120.400 0.091 0.000 2.316 92 D HA 0.088 4.728 4.640 -0.000 0.000 0.245 92 D C 1.318 177.698 176.300 0.134 0.000 1.171 92 D CA 0.050 54.133 54.000 0.137 0.000 0.856 92 D CB 1.822 42.713 40.800 0.151 0.000 1.090 92 D HN 0.477 nan 8.370 nan 0.000 0.476 93 Q N 1.266 121.167 119.800 0.168 0.000 2.291 93 Q HA -0.148 4.192 4.340 -0.000 0.000 0.206 93 Q C 1.209 177.427 176.000 0.362 0.000 0.976 93 Q CA 0.952 56.923 55.803 0.280 0.000 0.875 93 Q CB 0.218 29.155 28.738 0.332 0.000 0.927 93 Q HN 0.513 nan 8.270 nan 0.000 0.450 94 D N 0.475 121.008 120.400 0.221 0.000 2.144 94 D HA -0.131 4.509 4.640 -0.000 0.000 0.200 94 D C 1.666 178.039 176.300 0.121 0.000 0.978 94 D CA 1.361 55.418 54.000 0.095 0.000 0.833 94 D CB -0.293 40.487 40.800 -0.034 0.000 0.961 94 D HN 0.168 nan 8.370 nan 0.000 0.470 95 A N 0.606 123.564 122.820 0.230 0.000 1.930 95 A HA 0.073 4.393 4.320 -0.000 0.000 0.215 95 A C 2.480 180.303 177.584 0.398 0.000 1.176 95 A CA 0.667 52.919 52.037 0.359 0.000 0.632 95 A CB -0.720 18.422 19.000 0.237 0.000 0.819 95 A HN 0.233 nan 8.150 nan 0.000 0.445 96 I N -1.105 119.648 120.570 0.304 0.000 2.286 96 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 96 I C 2.439 178.847 176.117 0.484 0.000 1.115 96 I CA 1.746 63.216 61.300 0.284 0.000 1.392 96 I CB -0.470 37.593 38.000 0.105 0.000 1.065 96 I HN 0.615 nan 8.210 nan 0.000 0.418 97 H N -0.133 119.218 119.070 0.468 0.000 2.293 97 H HA -0.302 4.254 4.556 -0.000 0.000 0.300 97 H C 2.414 177.775 175.328 0.055 0.000 1.082 97 H CA 1.993 58.229 56.048 0.313 0.000 1.308 97 H CB -0.153 29.686 29.762 0.128 0.000 1.375 97 H HN 0.332 nan 8.280 nan 0.000 0.495 98 Y N 0.594 120.948 120.300 0.089 0.000 2.128 98 Y HA -0.315 4.235 4.550 -0.000 0.000 0.284 98 Y C 2.878 178.712 175.900 -0.111 0.000 1.154 98 Y CA 2.034 60.082 58.100 -0.088 0.000 1.149 98 Y CB -0.226 38.218 38.460 -0.027 0.000 0.976 98 Y HN 0.274 nan 8.280 nan 0.000 0.505 99 M N -0.394 119.225 119.600 0.033 0.000 2.067 99 M HA -0.213 4.267 4.480 -0.000 0.000 0.260 99 M C 2.234 178.442 176.300 -0.154 0.000 1.069 99 M CA 2.548 57.787 55.300 -0.102 0.000 1.117 99 M CB -0.396 32.298 32.600 0.156 0.000 1.334 99 M HN 0.498 nan 8.290 nan 0.000 0.407 100 T N -2.382 112.130 114.554 -0.071 0.000 2.777 100 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 100 T C 1.609 176.213 174.700 -0.160 0.000 1.040 100 T CA 1.590 63.648 62.100 -0.072 0.000 1.141 100 T CB -0.609 68.271 68.868 0.020 0.000 0.868 100 T HN 0.577 nan 8.240 nan 0.000 0.444 101 E N 0.456 120.332 120.200 -0.540 0.000 2.110 101 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 101 E C 2.241 178.393 176.600 -0.746 0.000 0.988 101 E CA 0.824 56.479 56.400 -1.241 0.000 0.804 101 E CB -0.011 28.718 29.700 -1.618 0.000 0.745 101 E HN 0.413 nan 8.360 nan 0.000 0.458 102 Q N -0.458 118.973 119.800 -0.616 0.000 2.435 102 Q HA 0.036 4.376 4.340 -0.000 0.000 0.207 102 Q C 1.844 177.653 176.000 -0.319 0.000 0.956 102 Q CA 0.765 56.255 55.803 -0.522 0.000 0.917 102 Q CB 0.225 28.525 28.738 -0.730 0.000 0.997 102 Q HN 0.321 nan 8.270 nan 0.000 0.497 103 A N 1.997 124.683 122.820 -0.224 0.000 1.892 103 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 103 A C -0.391 177.139 177.584 -0.091 0.000 1.188 103 A CA 1.365 53.347 52.037 -0.091 0.000 0.631 103 A CB -1.497 17.539 19.000 0.061 0.000 0.822 103 A HN 0.262 nan 8.150 nan 0.000 0.447 104 P HA -0.124 nan 4.420 nan 0.000 0.215 104 P C 1.782 179.013 177.300 -0.116 0.000 1.153 104 P CA 1.968 65.010 63.100 -0.097 0.000 0.853 104 P CB -0.138 31.512 31.700 -0.083 0.000 0.788 105 A N -0.031 122.705 122.820 -0.139 0.000 1.902 105 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 105 A C 2.316 179.825 177.584 -0.124 0.000 1.181 105 A CA 2.179 54.136 52.037 -0.132 0.000 0.623 105 A CB -1.633 17.275 19.000 -0.153 0.000 0.818 105 A HN 0.196 nan 8.150 nan 0.000 0.443 106 A N -0.714 122.031 122.820 -0.125 0.000 1.930 106 A HA 0.033 4.353 4.320 -0.000 0.000 0.217 106 A C 2.211 179.756 177.584 -0.065 0.000 1.175 106 A CA 1.769 53.748 52.037 -0.096 0.000 0.627 106 A CB -0.766 18.180 19.000 -0.090 0.000 0.815 106 A HN 0.385 nan 8.150 nan 0.000 0.443 107 V N -0.026 119.851 119.914 -0.063 0.000 2.379 107 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 107 V C 2.380 178.436 176.094 -0.064 0.000 1.044 107 V CA 1.708 63.985 62.300 -0.038 0.000 1.036 107 V CB -0.634 31.113 31.823 -0.126 0.000 0.664 107 V HN 0.554 nan 8.190 nan 0.000 0.453 108 I N 0.275 120.780 120.570 -0.108 0.000 2.208 108 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 108 I C 2.622 178.666 176.117 -0.120 0.000 1.097 108 I CA 2.077 63.316 61.300 -0.102 0.000 1.363 108 I CB -0.321 37.620 38.000 -0.098 0.000 1.051 108 I HN 0.441 nan 8.210 nan 0.000 0.413 109 E N 1.332 121.424 120.200 -0.181 0.000 2.070 109 E HA -0.255 4.095 4.350 -0.000 0.000 0.197 109 E C 2.344 178.572 176.600 -0.619 0.000 1.004 109 E CA 1.480 57.650 56.400 -0.384 0.000 0.805 109 E CB -0.107 29.381 29.700 -0.353 0.000 0.744 109 E HN 0.460 nan 8.360 nan 0.000 0.451 110 L N 0.886 121.937 121.223 -0.287 0.000 2.046 110 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 110 L C 2.902 179.841 176.870 0.115 0.000 1.077 110 L CA 1.269 56.076 54.840 -0.055 0.000 0.747 110 L CB -0.507 41.661 42.059 0.182 0.000 0.896 110 L HN 0.256 nan 8.230 nan 0.000 0.432 111 E N 0.666 121.008 120.200 0.236 0.000 2.072 111 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 111 E C 1.674 178.354 176.600 0.133 0.000 0.985 111 E CA 1.175 57.756 56.400 0.301 0.000 0.801 111 E CB -0.060 29.802 29.700 0.270 0.000 0.750 111 E HN 0.430 nan 8.360 nan 0.000 0.452 112 N N -0.157 118.557 118.700 0.022 0.000 2.520 112 N HA -0.109 4.631 4.740 -0.000 0.000 0.185 112 N C 1.155 176.747 175.510 0.138 0.000 1.068 112 N CA 0.582 53.653 53.050 0.035 0.000 0.911 112 N CB -0.338 38.136 38.487 -0.020 0.000 0.961 112 N HN 0.411 nan 8.380 nan 0.000 0.446 113 Y N -1.062 119.282 120.300 0.074 0.000 2.511 113 Y HA 0.145 4.695 4.550 -0.000 0.000 0.279 113 Y C 1.632 177.547 175.900 0.025 0.000 1.157 113 Y CA -0.069 58.056 58.100 0.042 0.000 1.300 113 Y CB 0.509 39.000 38.460 0.051 0.000 1.052 113 Y HN 0.144 nan 8.280 nan 0.000 0.529 114 G N 0.624 109.535 108.800 0.186 0.000 2.184 114 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.206 114 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.206 114 G C 0.185 175.127 174.900 0.070 0.000 0.995 114 G CA -0.321 44.845 45.100 0.110 0.000 0.651 114 G HN 0.222 nan 8.290 nan 0.000 0.511 115 M N 2.915 122.550 119.600 0.058 0.000 2.327 115 M HA 0.247 4.727 4.480 -0.000 0.000 0.353 115 M C -1.338 174.883 176.300 -0.132 0.000 1.539 115 M CA -0.749 54.478 55.300 -0.121 0.000 1.039 115 M CB 0.542 32.944 32.600 -0.329 0.000 1.967 115 M HN 0.019 nan 8.290 nan 0.000 0.459 116 P HA 0.027 nan 4.420 nan 0.000 0.232 116 P C -0.830 176.471 177.300 0.003 0.000 1.738 116 P CA 0.035 63.123 63.100 -0.020 0.000 0.948 116 P CB -0.861 30.837 31.700 -0.003 0.000 1.943 117 F N 0.524 120.512 119.950 0.064 0.000 2.646 117 F HA -0.064 4.463 4.527 0.000 0.000 0.363 117 F C 1.694 177.541 175.800 0.077 0.000 1.143 117 F CA 0.879 58.923 58.000 0.073 0.000 1.356 117 F CB -0.113 38.925 39.000 0.064 0.000 1.055 117 F HN 0.056 nan 8.300 nan 0.000 0.606 118 S N 3.174 119.067 115.700 0.323 0.000 2.593 118 S HA 0.415 4.885 4.470 -0.000 0.000 0.269 118 S C 0.165 174.895 174.600 0.218 0.000 1.334 118 S CA -0.773 57.546 58.200 0.199 0.000 1.015 118 S CB 0.616 63.916 63.200 0.166 0.000 0.912 118 S HN 0.324 nan 8.310 nan 0.000 0.541 119 R N 0.929 121.502 120.500 0.121 0.000 2.803 119 R HA 0.529 4.869 4.340 -0.000 0.000 0.276 119 R C 0.272 176.632 176.300 0.100 0.000 0.978 119 R CA -0.629 55.541 56.100 0.117 0.000 0.939 119 R CB 1.304 31.651 30.300 0.077 0.000 1.179 119 R HN 0.836 nan 8.270 nan 0.000 0.472 120 T N -2.150 112.472 114.554 0.114 0.000 2.849 120 T HA 0.215 4.565 4.350 -0.000 0.000 0.276 120 T C 1.042 175.773 174.700 0.050 0.000 0.971 120 T CA -0.710 61.451 62.100 0.102 0.000 0.949 120 T CB 0.972 69.901 68.868 0.102 0.000 1.093 120 T HN 0.380 nan 8.240 nan 0.000 0.545 121 E N 0.329 120.552 120.200 0.039 0.000 2.265 121 E HA -0.113 4.237 4.350 -0.000 0.000 0.196 121 E C 1.591 178.203 176.600 0.020 0.000 0.996 121 E CA 1.054 57.468 56.400 0.022 0.000 0.832 121 E CB -0.028 29.682 29.700 0.017 0.000 0.756 121 E HN 0.764 nan 8.360 nan 0.000 0.491 122 E N -0.462 119.752 120.200 0.023 0.000 2.489 122 E HA 0.096 4.446 4.350 -0.000 0.000 0.193 122 E C 0.935 177.546 176.600 0.018 0.000 1.057 122 E CA 0.319 56.729 56.400 0.017 0.000 0.866 122 E CB 0.421 30.128 29.700 0.012 0.000 0.916 122 E HN 0.329 nan 8.360 nan 0.000 0.500 123 G N 1.884 110.700 108.800 0.026 0.000 2.157 123 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.248 123 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.248 123 G C 0.208 175.126 174.900 0.030 0.000 0.979 123 G CA 0.253 45.370 45.100 0.029 0.000 0.650 123 G HN 0.156 nan 8.290 nan 0.000 0.529 124 K N -0.506 119.909 120.400 0.026 0.000 2.209 124 K HA 0.672 4.992 4.320 -0.000 0.000 0.238 124 K C 0.723 177.333 176.600 0.018 0.000 1.028 124 K CA -0.961 55.330 56.287 0.006 0.000 0.935 124 K CB 1.046 33.538 32.500 -0.012 0.000 1.162 124 K HN 0.156 nan 8.250 nan 0.000 0.485 125 I N 2.216 122.758 120.570 -0.047 0.000 2.517 125 I HA -0.064 4.106 4.170 -0.000 0.000 0.285 125 I C -0.082 176.028 176.117 -0.012 0.000 1.106 125 I CA -0.092 61.158 61.300 -0.083 0.000 1.402 125 I CB -0.067 37.706 38.000 -0.378 0.000 1.399 125 I HN 0.419 nan 8.210 nan 0.000 0.535 126 Y N 7.714 128.004 120.300 -0.018 0.000 2.465 126 Y HA 0.136 4.686 4.550 0.000 0.000 0.331 126 Y C -0.167 175.737 175.900 0.008 0.000 1.102 126 Y CA -0.113 57.994 58.100 0.011 0.000 1.358 126 Y CB 0.336 38.826 38.460 0.050 0.000 1.213 126 Y HN 0.501 nan 8.280 nan 0.000 0.525 127 Q N 6.718 126.114 119.800 -0.673 0.000 2.337 127 Q HA 0.475 4.815 4.340 -0.000 0.000 0.266 127 Q C -0.897 174.690 176.000 -0.688 0.000 1.023 127 Q CA -1.154 54.331 55.803 -0.530 0.000 0.829 127 Q CB 2.383 30.968 28.738 -0.256 0.000 1.306 127 Q HN 0.771 nan 8.270 nan 0.000 0.449 128 R N 0.148 120.427 120.500 -0.369 0.000 2.856 128 R HA 0.858 5.198 4.340 -0.000 0.000 0.258 128 R C -0.687 175.650 176.300 0.061 0.000 1.066 128 R CA -0.888 55.155 56.100 -0.095 0.000 1.045 128 R CB 0.872 31.227 30.300 0.091 0.000 1.178 128 R HN 0.512 nan 8.270 nan 0.000 0.499 129 A N 0.793 123.688 122.820 0.124 0.000 2.366 129 A HA 0.560 4.880 4.320 -0.000 0.000 0.249 129 A C -0.996 176.694 177.584 0.178 0.000 1.084 129 A CA -0.074 51.945 52.037 -0.029 0.000 0.794 129 A CB 0.122 19.067 19.000 -0.092 0.000 1.034 129 A HN 0.543 nan 8.150 nan 0.000 0.491 130 F N -1.076 118.803 119.950 -0.118 0.000 2.686 130 F HA 0.540 5.067 4.527 -0.000 0.000 0.311 130 F C 0.726 176.470 175.800 -0.093 0.000 1.128 130 F CA -0.026 57.924 58.000 -0.082 0.000 0.946 130 F CB 1.561 40.518 39.000 -0.071 0.000 1.336 130 F HN 0.812 nan 8.300 nan 0.000 0.457 131 G N 0.798 109.499 108.800 -0.165 0.000 2.313 131 G HA2 0.416 4.376 3.960 -0.000 0.000 0.250 131 G HA3 0.416 4.376 3.960 -0.000 0.000 0.250 131 G C 0.775 175.635 174.900 -0.065 0.000 1.281 131 G CA 0.418 45.425 45.100 -0.154 0.000 0.917 131 G HN 1.717 nan 8.290 nan 0.000 0.501 132 G N 1.264 110.018 108.800 -0.076 0.000 2.143 132 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.248 132 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.248 132 G C 0.245 175.221 174.900 0.127 0.000 0.991 132 G CA 0.480 45.585 45.100 0.008 0.000 0.689 132 G HN 0.853 nan 8.290 nan 0.000 0.522 133 Q N 0.187 120.038 119.800 0.085 0.000 2.333 133 Q HA 0.645 4.985 4.340 -0.000 0.000 0.267 133 Q C 0.035 176.061 176.000 0.043 0.000 1.012 133 Q CA 0.008 55.859 55.803 0.081 0.000 0.824 133 Q CB 2.116 30.878 28.738 0.040 0.000 1.290 133 Q HN 0.639 nan 8.270 nan 0.000 0.449 134 S N 1.973 117.709 115.700 0.060 0.000 2.704 134 S HA 0.750 5.220 4.470 -0.000 0.000 0.296 134 S C -0.708 173.845 174.600 -0.078 0.000 1.138 134 S CA -0.852 57.341 58.200 -0.011 0.000 0.875 134 S CB 1.062 64.264 63.200 0.003 0.000 1.151 134 S HN 0.478 nan 8.310 nan 0.000 0.500 135 L N 0.923 122.004 121.223 -0.237 0.000 2.334 135 L HA 0.553 4.893 4.340 -0.000 0.000 0.270 135 L C -0.053 176.193 176.870 -1.041 0.000 1.018 135 L CA -0.949 53.532 54.840 -0.598 0.000 0.811 135 L CB 0.764 42.555 42.059 -0.448 0.000 1.271 135 L HN 0.768 nan 8.230 nan 0.000 0.443 136 Q N 2.146 120.589 119.800 -2.263 0.000 2.463 136 Q HA -0.245 4.095 4.340 -0.000 0.000 0.299 136 Q C -0.375 175.159 176.000 -0.776 0.000 1.353 136 Q CA 0.566 55.450 55.803 -1.531 0.000 0.828 136 Q CB -1.678 26.614 28.738 -0.742 0.000 1.157 136 Q HN 0.715 nan 8.270 nan 0.000 0.436 137 F N -1.057 118.412 119.950 -0.802 0.000 3.027 137 F HA -0.282 4.245 4.527 0.000 0.000 0.276 137 F C 1.466 176.826 175.800 -0.733 0.000 0.967 137 F CA 1.810 59.349 58.000 -0.768 0.000 0.929 137 F CB -1.865 36.697 39.000 -0.731 0.000 0.873 137 F HN 0.590 nan 8.300 nan 0.000 0.787 138 G N -0.683 107.993 108.800 -0.206 0.000 2.179 138 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.260 138 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.260 138 G C 1.003 175.858 174.900 -0.075 0.000 0.977 138 G CA 0.567 45.666 45.100 -0.001 0.000 0.641 138 G HN 0.530 nan 8.290 nan 0.000 0.533 139 K N -0.219 120.083 120.400 -0.162 0.000 2.354 139 K HA 0.309 4.629 4.320 -0.000 0.000 0.194 139 K C 1.982 178.495 176.600 -0.146 0.000 1.045 139 K CA 0.534 56.745 56.287 -0.127 0.000 1.026 139 K CB 0.639 33.066 32.500 -0.120 0.000 0.866 139 K HN 0.294 nan 8.250 nan 0.000 0.530 140 G N 1.219 109.884 108.800 -0.225 0.000 3.609 140 G HA2 0.428 4.388 3.960 -0.000 0.000 0.280 140 G HA3 0.428 4.388 3.960 -0.000 0.000 0.280 140 G C 0.312 175.127 174.900 -0.141 0.000 1.155 140 G CA 0.148 45.124 45.100 -0.208 0.000 0.876 140 G HN 0.349 nan 8.290 nan 0.000 0.535 141 G N -0.221 108.522 108.800 -0.094 0.000 2.757 141 G HA2 -0.015 3.944 3.960 -0.000 0.000 0.638 141 G HA3 -0.015 3.944 3.960 -0.000 0.000 0.638 141 G C -0.282 174.586 174.900 -0.053 0.000 1.344 141 G CA -0.371 44.700 45.100 -0.049 0.000 0.855 141 G HN 0.692 nan 8.290 nan 0.000 0.537 142 Q N 0.180 119.959 119.800 -0.034 0.000 2.274 142 Q HA 0.582 4.922 4.340 -0.000 0.000 0.280 142 Q C 0.646 176.538 176.000 -0.181 0.000 1.047 142 Q CA 1.142 56.885 55.803 -0.100 0.000 0.907 142 Q CB 0.572 29.241 28.738 -0.116 0.000 1.171 142 Q HN 1.785 nan 8.270 nan 0.000 0.381 143 A N 4.906 127.613 122.820 -0.188 0.000 2.286 143 A HA 0.420 4.740 4.320 -0.000 0.000 0.286 143 A C -0.850 176.468 177.584 -0.442 0.000 1.097 143 A CA -0.418 51.527 52.037 -0.153 0.000 0.821 143 A CB 0.549 19.530 19.000 -0.032 0.000 1.076 143 A HN 0.896 nan 8.150 nan 0.000 0.490 144 H N 1.305 120.368 119.070 -0.012 0.000 2.541 144 H HA 0.272 4.828 4.556 -0.000 0.000 0.246 144 H C 0.162 175.431 175.328 -0.097 0.000 1.341 144 H CA -0.115 55.901 56.048 -0.053 0.000 1.469 144 H CB 0.518 30.241 29.762 -0.066 0.000 1.472 144 H HN 0.858 nan 8.280 nan 0.000 0.503 145 R N -0.283 120.170 120.500 -0.078 0.000 2.572 145 R HA 0.191 4.531 4.340 -0.000 0.000 0.370 145 R C -0.155 176.033 176.300 -0.186 0.000 1.005 145 R CA -0.213 55.810 56.100 -0.128 0.000 1.146 145 R CB -0.317 29.896 30.300 -0.146 0.000 1.390 145 R HN 0.166 nan 8.270 nan 0.000 0.553 146 C N 3.077 122.267 119.300 -0.183 0.000 2.252 146 C HA 0.471 4.931 4.460 -0.000 0.000 0.342 146 C C 0.632 175.513 174.990 -0.182 0.000 1.110 146 C CA -0.778 58.092 59.018 -0.247 0.000 1.581 146 C CB -1.508 26.030 27.740 -0.336 0.000 2.087 146 C HN 0.678 nan 8.230 nan 0.000 0.500 147 C N 5.497 124.710 119.300 -0.145 0.000 2.644 147 C HA 0.598 5.058 4.460 -0.000 0.000 0.417 147 C C 0.882 175.966 174.990 0.157 0.000 1.304 147 C CA -0.535 58.438 59.018 -0.076 0.000 2.035 147 C CB -1.899 25.697 27.740 -0.240 0.000 2.673 147 C HN 1.017 nan 8.230 nan 0.000 0.602 148 C N 0.621 120.110 119.300 0.316 0.000 3.318 148 C HA 0.802 5.262 4.460 -0.000 0.000 0.322 148 C C -0.782 174.442 174.990 0.390 0.000 1.398 148 C CA -0.669 58.555 59.018 0.343 0.000 1.339 148 C CB 0.591 28.473 27.740 0.236 0.000 1.668 148 C HN 0.596 nan 8.230 nan 0.000 0.462 149 V N 2.744 122.775 119.914 0.195 0.000 2.235 149 V HA 0.645 4.765 4.120 -0.000 0.000 0.266 149 V C 1.129 177.289 176.094 0.111 0.000 1.055 149 V CA 1.171 63.536 62.300 0.109 0.000 0.844 149 V CB -0.343 31.473 31.823 -0.012 0.000 1.097 149 V HN 2.143 nan 8.190 nan 0.000 0.453 150 A N 4.509 127.411 122.820 0.137 0.000 5.391 150 A HA -0.287 4.033 4.320 -0.000 0.000 0.315 150 A C 1.032 178.690 177.584 0.124 0.000 1.874 150 A CA 1.785 53.885 52.037 0.105 0.000 0.714 150 A CB -1.277 17.753 19.000 0.050 0.000 1.335 150 A HN 1.028 nan 8.150 nan 0.000 0.382 151 D N -0.134 120.319 120.400 0.089 0.000 2.670 151 D HA 0.361 5.001 4.640 -0.000 0.000 0.255 151 D C 0.461 176.802 176.300 0.070 0.000 1.286 151 D CA 0.114 54.171 54.000 0.095 0.000 0.830 151 D CB -0.248 40.604 40.800 0.086 0.000 1.065 151 D HN 0.611 nan 8.370 nan 0.000 0.486 152 R N -0.246 120.293 120.500 0.065 0.000 2.698 152 R HA 0.228 4.568 4.340 -0.000 0.000 0.422 152 R C 0.488 176.846 176.300 0.097 0.000 1.073 152 R CA -0.221 55.917 56.100 0.064 0.000 1.054 152 R CB 0.261 30.572 30.300 0.018 0.000 1.373 152 R HN -0.067 nan 8.270 nan 0.000 0.593 153 T N 0.115 114.715 114.554 0.077 0.000 2.746 153 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 153 T C 2.014 176.736 174.700 0.038 0.000 1.039 153 T CA 1.927 64.053 62.100 0.044 0.000 1.142 153 T CB -0.041 68.862 68.868 0.059 0.000 0.866 153 T HN 0.585 nan 8.240 nan 0.000 0.444 154 G N 1.038 109.871 108.800 0.056 0.000 2.421 154 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.216 154 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.216 154 G C 1.361 176.304 174.900 0.072 0.000 1.171 154 G CA 0.922 46.045 45.100 0.039 0.000 0.775 154 G HN 0.602 nan 8.290 nan 0.000 0.543 155 H N 0.871 119.959 119.070 0.031 0.000 2.319 155 H HA -0.070 4.486 4.556 0.000 0.000 0.297 155 H C 2.498 177.921 175.328 0.159 0.000 1.097 155 H CA 1.841 57.958 56.048 0.115 0.000 1.285 155 H CB -0.200 29.623 29.762 0.103 0.000 1.368 155 H HN 0.307 nan 8.280 nan 0.000 0.495 156 S N 0.684 116.446 115.700 0.104 0.000 2.387 156 S HA -0.062 4.408 4.470 -0.000 0.000 0.226 156 S C 2.343 176.914 174.600 -0.048 0.000 1.026 156 S CA 0.711 58.906 58.200 -0.009 0.000 0.972 156 S CB -0.199 62.980 63.200 -0.036 0.000 0.814 156 S HN 0.409 nan 8.310 nan 0.000 0.477 157 L N 0.970 122.166 121.223 -0.045 0.000 2.017 157 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 157 L C 2.206 179.082 176.870 0.009 0.000 1.073 157 L CA 1.324 56.154 54.840 -0.017 0.000 0.745 157 L CB -0.265 41.798 42.059 0.007 0.000 0.894 157 L HN 0.260 nan 8.230 nan 0.000 0.432 158 L N -0.726 120.477 121.223 -0.033 0.000 2.056 158 L HA -0.232 4.108 4.340 -0.000 0.000 0.207 158 L C 2.592 179.387 176.870 -0.124 0.000 1.078 158 L CA 1.787 56.575 54.840 -0.087 0.000 0.749 158 L CB -0.876 41.083 42.059 -0.166 0.000 0.901 158 L HN 0.347 nan 8.230 nan 0.000 0.433 159 H N -1.416 117.588 119.070 -0.111 0.000 2.423 159 H HA -0.074 4.482 4.556 -0.000 0.000 0.297 159 H C 1.968 177.294 175.328 -0.005 0.000 1.075 159 H CA 1.763 57.768 56.048 -0.073 0.000 1.342 159 H CB -0.138 29.487 29.762 -0.228 0.000 1.395 159 H HN 0.381 nan 8.280 nan 0.000 0.530 160 T N 1.252 115.853 114.554 0.079 0.000 2.737 160 T HA -0.055 4.295 4.350 -0.000 0.000 0.265 160 T C 2.437 177.155 174.700 0.030 0.000 1.038 160 T CA 0.535 62.671 62.100 0.059 0.000 1.144 160 T CB -0.235 68.677 68.868 0.074 0.000 0.866 160 T HN 0.184 nan 8.240 nan 0.000 0.434 161 L N -0.250 121.022 121.223 0.082 0.000 2.083 161 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 161 L C 2.413 179.297 176.870 0.023 0.000 1.083 161 L CA 1.412 56.319 54.840 0.112 0.000 0.752 161 L CB -0.514 41.680 42.059 0.225 0.000 0.899 161 L HN 0.286 nan 8.230 nan 0.000 0.433 162 Y N 0.836 121.081 120.300 -0.092 0.000 2.200 162 Y HA -0.145 4.405 4.550 0.000 0.000 0.290 162 Y C 2.285 178.086 175.900 -0.165 0.000 1.137 162 Y CA 1.389 59.392 58.100 -0.162 0.000 1.163 162 Y CB -0.642 37.690 38.460 -0.213 0.000 0.988 162 Y HN 0.048 nan 8.280 nan 0.000 0.518 163 G N -0.149 108.513 108.800 -0.228 0.000 2.418 163 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 163 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 163 G C 1.743 176.417 174.900 -0.376 0.000 1.158 163 G CA 0.938 45.861 45.100 -0.295 0.000 0.771 163 G HN 0.325 nan 8.290 nan 0.000 0.545 164 R N 1.549 121.802 120.500 -0.411 0.000 2.081 164 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 164 R C 2.919 178.857 176.300 -0.604 0.000 1.131 164 R CA 2.034 57.770 56.100 -0.608 0.000 0.960 164 R CB -0.746 28.958 30.300 -0.992 0.000 0.856 164 R HN 0.404 nan 8.270 nan 0.000 0.436 165 S N 0.025 115.392 115.700 -0.555 0.000 2.440 165 S HA -0.121 4.349 4.470 -0.000 0.000 0.238 165 S C 1.890 176.384 174.600 -0.177 0.000 1.010 165 S CA 1.232 59.288 58.200 -0.241 0.000 0.972 165 S CB -0.526 62.637 63.200 -0.062 0.000 0.774 165 S HN 0.411 nan 8.310 nan 0.000 0.501 166 L N 0.440 121.434 121.223 -0.381 0.000 2.549 166 L HA 0.072 4.412 4.340 -0.000 0.000 0.229 166 L C 2.609 179.335 176.870 -0.239 0.000 1.158 166 L CA 0.727 55.373 54.840 -0.323 0.000 0.842 166 L CB -0.407 41.425 42.059 -0.378 0.000 0.952 166 L HN 0.341 nan 8.230 nan 0.000 0.452 167 R N -1.510 118.801 120.500 -0.314 0.000 2.297 167 R HA 0.095 4.435 4.340 -0.000 0.000 0.197 167 R C -0.311 175.629 176.300 -0.601 0.000 0.943 167 R CA 0.181 55.994 56.100 -0.478 0.000 1.038 167 R CB 0.180 30.073 30.300 -0.677 0.000 0.957 167 R HN 0.194 nan 8.270 nan 0.000 0.484 168 Y N 0.130 120.372 120.300 -0.097 0.000 2.602 168 Y HA 0.095 4.645 4.550 -0.000 0.000 0.330 168 Y C 1.002 176.919 175.900 0.028 0.000 1.114 168 Y CA -1.480 56.612 58.100 -0.013 0.000 1.182 168 Y CB 0.771 39.251 38.460 0.034 0.000 1.305 168 Y HN -0.026 nan 8.280 nan 0.000 0.502 169 D N -1.038 119.497 120.400 0.224 0.000 2.434 169 D HA 0.014 4.654 4.640 -0.000 0.000 0.232 169 D C -0.371 176.030 176.300 0.167 0.000 1.166 169 D CA -0.049 54.046 54.000 0.159 0.000 0.830 169 D CB -0.854 40.023 40.800 0.129 0.000 0.960 169 D HN 0.367 nan 8.370 nan 0.000 0.497 170 T N 0.728 115.395 114.554 0.190 0.000 2.934 170 T HA 0.088 4.438 4.350 -0.000 0.000 0.306 170 T C 0.341 175.042 174.700 0.002 0.000 1.042 170 T CA 0.112 62.246 62.100 0.057 0.000 1.145 170 T CB 0.789 69.677 68.868 0.033 0.000 0.982 170 T HN 0.025 nan 8.240 nan 0.000 0.544 171 S N 2.645 118.275 115.700 -0.117 0.000 2.430 171 S HA 0.332 4.802 4.470 -0.000 0.000 0.289 171 S C -0.636 173.695 174.600 -0.449 0.000 1.143 171 S CA -0.623 57.500 58.200 -0.129 0.000 1.067 171 S CB -0.024 63.251 63.200 0.125 0.000 0.964 171 S HN 0.486 nan 8.310 nan 0.000 0.485 172 Y N 1.822 121.926 120.300 -0.328 0.000 2.323 172 Y HA 0.424 4.974 4.550 0.000 0.000 0.331 172 Y C -0.235 175.256 175.900 -0.681 0.000 1.092 172 Y CA -0.856 57.043 58.100 -0.335 0.000 1.150 172 Y CB 0.632 38.990 38.460 -0.169 0.000 1.200 172 Y HN 0.548 nan 8.280 nan 0.000 0.472 173 F N 2.601 122.367 119.950 -0.305 0.000 2.363 173 F HA 0.387 4.914 4.527 -0.000 0.000 0.366 173 F C -0.479 175.171 175.800 -0.250 0.000 1.083 173 F CA -0.944 56.703 58.000 -0.588 0.000 1.176 173 F CB 0.572 38.844 39.000 -1.213 0.000 1.432 173 F HN 0.092 nan 8.300 nan 0.000 0.482 174 V N 2.674 122.670 119.914 0.136 0.000 2.530 174 V HA 0.165 4.285 4.120 -0.000 0.000 0.282 174 V C 0.388 176.729 176.094 0.411 0.000 1.048 174 V CA -0.593 61.862 62.300 0.259 0.000 0.997 174 V CB 0.919 32.892 31.823 0.250 0.000 0.987 174 V HN 0.778 nan 8.190 nan 0.000 0.477 175 E N 2.598 122.986 120.200 0.314 0.000 2.298 175 E HA -0.212 4.138 4.350 -0.000 0.000 0.235 175 E C -1.388 175.346 176.600 0.225 0.000 1.167 175 E CA 0.356 56.892 56.400 0.227 0.000 0.708 175 E CB -0.920 28.916 29.700 0.227 0.000 1.236 175 E HN 0.617 nan 8.360 nan 0.000 0.386 176 Y N -0.097 120.239 120.300 0.060 0.000 2.350 176 Y HA 0.449 4.999 4.550 -0.000 0.000 0.338 176 Y C -0.235 175.711 175.900 0.077 0.000 0.961 176 Y CA -1.120 57.024 58.100 0.073 0.000 1.100 176 Y CB 1.134 39.636 38.460 0.070 0.000 1.179 176 Y HN 0.191 nan 8.280 nan 0.000 0.454 177 F N 3.587 123.568 119.950 0.052 0.000 2.371 177 F HA 0.710 5.237 4.527 -0.000 0.000 0.363 177 F C 0.264 176.083 175.800 0.031 0.000 1.122 177 F CA -0.878 57.127 58.000 0.008 0.000 1.129 177 F CB 0.362 39.330 39.000 -0.053 0.000 1.173 177 F HN 0.612 nan 8.300 nan 0.000 0.489 178 A N 6.886 129.568 122.820 -0.231 0.000 2.450 178 A HA 0.361 4.681 4.320 -0.000 0.000 0.255 178 A C 0.290 177.831 177.584 -0.071 0.000 1.096 178 A CA -0.211 51.757 52.037 -0.115 0.000 0.778 178 A CB 0.309 19.198 19.000 -0.186 0.000 1.031 178 A HN 1.040 nan 8.150 nan 0.000 0.494 179 L N 0.959 122.233 121.223 0.085 0.000 2.388 179 L HA 0.315 4.655 4.340 -0.000 0.000 0.209 179 L C 0.078 176.980 176.870 0.055 0.000 1.061 179 L CA 0.385 55.301 54.840 0.126 0.000 0.834 179 L CB 0.093 42.233 42.059 0.134 0.000 1.029 179 L HN 0.585 nan 8.230 nan 0.000 0.473 180 D N -1.326 119.095 120.400 0.034 0.000 2.694 180 D HA 0.395 5.035 4.640 -0.000 0.000 0.260 180 D C -1.207 175.101 176.300 0.015 0.000 1.250 180 D CA -0.497 53.513 54.000 0.017 0.000 0.763 180 D CB 2.326 43.139 40.800 0.022 0.000 1.311 180 D HN -0.188 nan 8.370 nan 0.000 0.420 181 L N 0.711 121.937 121.223 0.004 0.000 2.395 181 L HA 0.395 4.735 4.340 -0.000 0.000 0.269 181 L C 0.197 177.078 176.870 0.017 0.000 1.133 181 L CA -0.603 54.240 54.840 0.006 0.000 0.812 181 L CB 0.619 42.673 42.059 -0.007 0.000 1.125 181 L HN 0.157 nan 8.230 nan 0.000 0.452 182 L N 4.080 125.319 121.223 0.026 0.000 2.288 182 L HA 0.320 4.660 4.340 -0.000 0.000 0.283 182 L C -0.171 176.710 176.870 0.020 0.000 1.072 182 L CA -0.129 54.728 54.840 0.028 0.000 0.862 182 L CB 0.518 42.602 42.059 0.041 0.000 1.245 182 L HN 0.502 nan 8.230 nan 0.000 0.432 183 M N 2.480 122.087 119.600 0.012 0.000 2.367 183 M HA 0.440 4.920 4.480 -0.000 0.000 0.339 183 M C -0.486 175.818 176.300 0.007 0.000 1.177 183 M CA -0.405 54.900 55.300 0.007 0.000 1.068 183 M CB 1.520 34.121 32.600 0.002 0.000 1.602 183 M HN 0.272 nan 8.290 nan 0.000 0.457 184 E N 1.293 121.496 120.200 0.005 0.000 2.349 184 E HA 0.324 4.674 4.350 -0.000 0.000 0.290 184 E C -0.968 175.633 176.600 0.001 0.000 0.901 184 E CA -0.028 56.374 56.400 0.004 0.000 0.800 184 E CB 0.646 30.350 29.700 0.007 0.000 1.303 184 E HN 0.760 nan 8.360 nan 0.000 0.397 185 N N 3.074 121.773 118.700 -0.002 0.000 2.747 185 N HA -0.271 4.469 4.740 -0.000 0.000 0.249 185 N C 0.598 176.104 175.510 -0.007 0.000 1.107 185 N CA 0.414 53.461 53.050 -0.005 0.000 0.707 185 N CB -0.855 37.630 38.487 -0.004 0.000 1.054 185 N HN 0.883 nan 8.380 nan 0.000 0.555 186 G N -0.563 108.233 108.800 -0.007 0.000 2.162 186 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.260 186 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.260 186 G C -0.255 174.637 174.900 -0.014 0.000 0.976 186 G CA 0.860 45.953 45.100 -0.011 0.000 0.655 186 G HN 0.605 nan 8.290 nan 0.000 0.533 187 E N -0.728 119.466 120.200 -0.009 0.000 2.207 187 E HA 0.513 4.862 4.350 -0.000 0.000 0.270 187 E C -0.153 176.445 176.600 -0.002 0.000 0.927 187 E CA -0.674 55.721 56.400 -0.008 0.000 0.799 187 E CB 2.205 31.904 29.700 -0.001 0.000 1.172 187 E HN 0.280 nan 8.360 nan 0.000 0.404 188 C N 2.486 121.785 119.300 -0.001 0.000 2.388 188 C HA 0.351 4.811 4.460 -0.000 0.000 0.362 188 C C 0.821 175.825 174.990 0.024 0.000 1.266 188 C CA -0.330 58.692 59.018 0.008 0.000 2.028 188 C CB -0.522 27.220 27.740 0.002 0.000 2.440 188 C HN 0.796 nan 8.230 nan 0.000 0.547 189 R N 3.521 124.039 120.500 0.030 0.000 2.565 189 R HA 0.400 4.740 4.340 -0.000 0.000 0.347 189 R C 0.631 176.967 176.300 0.060 0.000 1.010 189 R CA 0.477 56.603 56.100 0.043 0.000 1.126 189 R CB 0.664 30.986 30.300 0.037 0.000 1.331 189 R HN 1.054 nan 8.270 nan 0.000 0.552 190 G N 0.439 109.273 108.800 0.057 0.000 2.320 190 G HA2 0.086 4.046 3.960 -0.000 0.000 0.274 190 G HA3 0.086 4.046 3.960 -0.000 0.000 0.274 190 G C -1.505 173.436 174.900 0.069 0.000 1.324 190 G CA -0.312 44.836 45.100 0.080 0.000 0.957 190 G HN 0.182 nan 8.290 nan 0.000 0.481 191 V N -2.082 117.900 119.914 0.113 0.000 3.114 191 V HA 0.893 5.013 4.120 -0.000 0.000 0.308 191 V C -0.592 175.613 176.094 0.184 0.000 1.168 191 V CA -0.903 61.456 62.300 0.100 0.000 1.015 191 V CB 1.812 33.656 31.823 0.034 0.000 1.050 191 V HN 1.618 nan 8.190 nan 0.000 0.433 192 I N 2.713 123.370 120.570 0.144 0.000 2.493 192 I HA 0.937 5.107 4.170 -0.000 0.000 0.298 192 I C -0.030 176.206 176.117 0.198 0.000 0.998 192 I CA -0.333 61.069 61.300 0.170 0.000 1.137 192 I CB 1.576 39.634 38.000 0.096 0.000 1.310 192 I HN 1.297 nan 8.210 nan 0.000 0.445 193 A N 6.492 129.481 122.820 0.282 0.000 2.594 193 A HA 0.706 5.026 4.320 -0.000 0.000 0.291 193 A C -1.989 175.768 177.584 0.289 0.000 1.105 193 A CA -0.618 51.595 52.037 0.293 0.000 0.694 193 A CB 1.648 20.862 19.000 0.357 0.000 1.291 193 A HN 0.683 nan 8.150 nan 0.000 0.410 194 L N 0.691 122.049 121.223 0.224 0.000 2.307 194 L HA 0.643 4.983 4.340 -0.000 0.000 0.284 194 L C -0.241 176.600 176.870 -0.048 0.000 1.023 194 L CA -0.383 54.523 54.840 0.109 0.000 0.810 194 L CB 1.212 43.287 42.059 0.026 0.000 1.231 194 L HN 0.829 nan 8.230 nan 0.000 0.423 195 C N 6.624 125.804 119.300 -0.201 0.000 2.289 195 C HA 0.318 4.778 4.460 -0.000 0.000 0.340 195 C C 1.802 176.590 174.990 -0.337 0.000 1.152 195 C CA -0.544 58.051 59.018 -0.706 0.000 1.650 195 C CB -1.645 25.725 27.740 -0.618 0.000 2.203 195 C HN 0.972 nan 8.230 nan 0.000 0.511 196 I N 3.206 123.565 120.570 -0.353 0.000 2.335 196 I HA -0.155 4.015 4.170 -0.000 0.000 0.251 196 I C 2.522 178.465 176.117 -0.290 0.000 1.129 196 I CA 1.579 62.641 61.300 -0.397 0.000 1.402 196 I CB -0.308 37.294 38.000 -0.665 0.000 1.069 196 I HN 0.808 nan 8.210 nan 0.000 0.424 197 E N 1.135 121.279 120.200 -0.093 0.000 2.204 197 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 197 E C 0.923 177.618 176.600 0.158 0.000 0.989 197 E CA 1.621 58.133 56.400 0.186 0.000 0.824 197 E CB 0.174 30.017 29.700 0.238 0.000 0.756 197 E HN 0.656 nan 8.360 nan 0.000 0.477 198 D N -2.525 117.921 120.400 0.077 0.000 2.525 198 D HA 0.122 4.762 4.640 -0.000 0.000 0.231 198 D C 1.056 177.406 176.300 0.084 0.000 1.216 198 D CA 0.533 54.593 54.000 0.100 0.000 0.813 198 D CB 0.309 41.183 40.800 0.123 0.000 1.108 198 D HN 0.214 nan 8.370 nan 0.000 0.524 199 G N 0.688 109.520 108.800 0.052 0.000 2.162 199 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.260 199 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.260 199 G C 0.528 175.506 174.900 0.130 0.000 0.976 199 G CA 0.792 45.938 45.100 0.076 0.000 0.655 199 G HN 0.849 nan 8.290 nan 0.000 0.533 200 T N -0.874 113.761 114.554 0.135 0.000 2.882 200 T HA 0.704 5.054 4.350 -0.000 0.000 0.287 200 T C 0.394 175.198 174.700 0.173 0.000 1.014 200 T CA -0.792 61.392 62.100 0.141 0.000 1.049 200 T CB 2.034 70.962 68.868 0.100 0.000 1.001 200 T HN 0.288 nan 8.240 nan 0.000 0.525 201 I N 2.305 122.924 120.570 0.082 0.000 2.359 201 I HA 0.338 4.508 4.170 -0.000 0.000 0.294 201 I C 0.432 176.539 176.117 -0.016 0.000 0.987 201 I CA -0.560 60.799 61.300 0.097 0.000 1.225 201 I CB 0.889 38.911 38.000 0.037 0.000 1.366 201 I HN 0.742 nan 8.210 nan 0.000 0.466 202 H N 5.861 124.989 119.070 0.096 0.000 2.637 202 H HA 0.492 5.048 4.556 -0.000 0.000 0.363 202 H C -0.576 174.709 175.328 -0.070 0.000 1.131 202 H CA -0.886 55.169 56.048 0.011 0.000 1.183 202 H CB 2.530 32.306 29.762 0.024 0.000 1.637 202 H HN 0.372 nan 8.280 nan 0.000 0.531 203 R N 2.446 122.913 120.500 -0.055 0.000 2.343 203 R HA 0.277 4.617 4.340 -0.000 0.000 0.320 203 R C -1.125 175.098 176.300 -0.128 0.000 0.956 203 R CA -0.672 55.414 56.100 -0.024 0.000 0.836 203 R CB 1.199 31.498 30.300 -0.001 0.000 1.151 203 R HN 0.330 nan 8.270 nan 0.000 0.450 204 F N 2.955 122.965 119.950 0.101 0.000 2.334 204 F HA 0.401 4.928 4.527 -0.000 0.000 0.367 204 F C 0.751 176.603 175.800 0.087 0.000 1.115 204 F CA -0.664 57.388 58.000 0.086 0.000 1.116 204 F CB 0.998 39.938 39.000 -0.100 0.000 1.230 204 F HN 0.171 nan 8.300 nan 0.000 0.484 205 R N 2.532 123.169 120.500 0.228 0.000 2.349 205 R HA 0.868 5.208 4.340 -0.000 0.000 0.299 205 R C -0.637 175.772 176.300 0.182 0.000 1.027 205 R CA -0.709 55.483 56.100 0.154 0.000 0.958 205 R CB 1.443 31.796 30.300 0.089 0.000 1.047 205 R HN 0.717 nan 8.270 nan 0.000 0.468 206 A N 1.520 124.422 122.820 0.136 0.000 2.599 206 A HA 0.211 4.531 4.320 -0.000 0.000 0.294 206 A C -0.108 177.533 177.584 0.095 0.000 1.055 206 A CA -0.770 51.348 52.037 0.135 0.000 0.683 206 A CB 1.543 20.631 19.000 0.146 0.000 1.278 206 A HN 0.772 nan 8.150 nan 0.000 0.412 207 K N 0.077 120.534 120.400 0.096 0.000 2.211 207 K HA -0.024 4.296 4.320 -0.000 0.000 0.203 207 K C -0.213 176.432 176.600 0.075 0.000 1.050 207 K CA 0.995 57.330 56.287 0.081 0.000 0.945 207 K CB -0.018 32.538 32.500 0.093 0.000 0.732 207 K HN 0.648 nan 8.250 nan 0.000 0.451 208 N N 0.016 118.752 118.700 0.059 0.000 2.260 208 N HA 0.166 4.906 4.740 -0.000 0.000 0.293 208 N C -1.539 173.976 175.510 0.008 0.000 1.058 208 N CA -0.306 52.770 53.050 0.045 0.000 0.824 208 N CB 2.401 40.861 38.487 -0.044 0.000 1.551 208 N HN -0.198 nan 8.380 nan 0.000 0.475 209 T N 0.721 115.305 114.554 0.050 0.000 2.848 209 T HA 0.437 4.787 4.350 -0.000 0.000 0.285 209 T C -0.313 174.404 174.700 0.028 0.000 0.995 209 T CA -0.439 61.662 62.100 0.001 0.000 0.970 209 T CB 1.727 70.597 68.868 0.003 0.000 0.976 209 T HN 0.069 nan 8.240 nan 0.000 0.441 210 V N 4.735 124.617 119.914 -0.052 0.000 2.409 210 V HA 0.474 4.594 4.120 -0.000 0.000 0.291 210 V C -0.116 175.939 176.094 -0.065 0.000 1.020 210 V CA -0.812 61.466 62.300 -0.037 0.000 0.848 210 V CB 1.348 33.098 31.823 -0.121 0.000 0.990 210 V HN 0.810 nan 8.190 nan 0.000 0.430 211 I N 4.279 124.824 120.570 -0.040 0.000 2.304 211 I HA 0.551 4.721 4.170 -0.000 0.000 0.291 211 I C 0.613 176.696 176.117 -0.057 0.000 1.018 211 I CA -0.103 61.159 61.300 -0.064 0.000 1.260 211 I CB 1.470 39.432 38.000 -0.062 0.000 1.390 211 I HN 0.725 nan 8.210 nan 0.000 0.475 212 A N 3.656 126.434 122.820 -0.070 0.000 2.992 212 A HA 0.224 4.544 4.320 -0.000 0.000 0.263 212 A C 0.897 178.449 177.584 -0.053 0.000 0.928 212 A CA -0.337 51.670 52.037 -0.050 0.000 1.061 212 A CB -0.374 18.595 19.000 -0.052 0.000 1.173 212 A HN 0.722 nan 8.150 nan 0.000 0.482 213 T N -2.816 111.700 114.554 -0.063 0.000 3.148 213 T HA 0.452 4.802 4.350 -0.000 0.000 0.253 213 T C 1.189 175.862 174.700 -0.045 0.000 1.134 213 T CA 0.835 62.893 62.100 -0.070 0.000 1.051 213 T CB -0.301 68.507 68.868 -0.100 0.000 0.959 213 T HN 2.044 nan 8.240 nan 0.000 0.525 214 G N -0.015 108.768 108.800 -0.027 0.000 2.681 214 G HA2 0.246 4.206 3.960 -0.000 0.000 0.220 214 G HA3 0.246 4.206 3.960 -0.000 0.000 0.220 214 G C 0.049 174.921 174.900 -0.047 0.000 1.353 214 G CA -0.557 44.527 45.100 -0.026 0.000 0.872 214 G HN 0.880 nan 8.290 nan 0.000 0.557 215 G N -1.979 106.759 108.800 -0.102 0.000 2.606 215 G HA2 0.741 4.701 3.960 -0.000 0.000 0.262 215 G HA3 0.741 4.701 3.960 -0.000 0.000 0.262 215 G C -0.001 174.874 174.900 -0.043 0.000 1.394 215 G CA 0.368 45.377 45.100 -0.153 0.000 1.044 215 G HN 1.967 nan 8.290 nan 0.000 0.553 216 Y N -2.357 117.856 120.300 -0.145 0.000 2.658 216 Y HA 0.501 5.051 4.550 -0.000 0.000 0.273 216 Y C 1.398 177.264 175.900 -0.057 0.000 0.992 216 Y CA -0.538 57.511 58.100 -0.086 0.000 1.105 216 Y CB 0.187 38.615 38.460 -0.054 0.000 1.188 216 Y HN 0.501 nan 8.280 nan 0.000 0.616 217 G N 1.156 109.804 108.800 -0.253 0.000 2.479 217 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.220 217 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.220 217 G C 1.656 176.551 174.900 -0.008 0.000 1.115 217 G CA 0.241 45.223 45.100 -0.197 0.000 0.757 217 G HN 0.251 nan 8.290 nan 0.000 0.560 218 R N 0.684 121.183 120.500 -0.002 0.000 2.357 218 R HA -0.041 4.299 4.340 -0.000 0.000 0.202 218 R C 2.610 178.975 176.300 0.108 0.000 1.047 218 R CA 1.270 57.392 56.100 0.038 0.000 1.034 218 R CB -0.911 29.404 30.300 0.025 0.000 0.875 218 R HN 0.579 nan 8.270 nan 0.000 0.473 219 T N -2.927 111.727 114.554 0.166 0.000 3.035 219 T HA -0.048 4.302 4.350 -0.000 0.000 0.268 219 T C 0.773 175.478 174.700 0.008 0.000 1.109 219 T CA 0.628 62.795 62.100 0.112 0.000 1.119 219 T CB -0.164 68.795 68.868 0.153 0.000 0.900 219 T HN -0.010 nan 8.240 nan 0.000 0.503 220 Y N -0.591 119.752 120.300 0.071 0.000 2.432 220 Y HA 0.491 5.041 4.550 -0.000 0.000 0.322 220 Y C 0.941 176.919 175.900 0.129 0.000 1.246 220 Y CA -1.989 56.174 58.100 0.106 0.000 1.268 220 Y CB 0.644 39.142 38.460 0.063 0.000 1.276 220 Y HN -0.049 nan 8.280 nan 0.000 0.499 221 F N 0.060 120.131 119.950 0.201 0.000 2.234 221 F HA 0.073 4.600 4.527 -0.000 0.000 0.296 221 F C 0.916 176.778 175.800 0.104 0.000 1.089 221 F CA 0.842 58.915 58.000 0.123 0.000 1.343 221 F CB 0.159 39.223 39.000 0.107 0.000 1.040 221 F HN 0.270 nan 8.300 nan 0.000 0.498 222 S N 0.431 116.200 115.700 0.116 0.000 2.519 222 S HA 0.646 5.116 4.470 -0.000 0.000 0.309 222 S C -0.896 173.706 174.600 0.004 0.000 1.100 222 S CA -0.406 57.779 58.200 -0.025 0.000 1.059 222 S CB 0.289 63.537 63.200 0.081 0.000 1.008 222 S HN 0.457 nan 8.310 nan 0.000 0.478 223 C N 2.122 121.377 119.300 -0.076 0.000 3.285 223 C HA 0.684 5.144 4.460 -0.000 0.000 0.325 223 C C 1.393 176.322 174.990 -0.101 0.000 1.304 223 C CA -0.039 58.928 59.018 -0.086 0.000 1.319 223 C CB 0.580 28.258 27.740 -0.104 0.000 1.640 223 C HN 0.844 nan 8.230 nan 0.000 0.477 224 T N -0.890 113.634 114.554 -0.050 0.000 3.067 224 T HA 0.126 4.476 4.350 -0.000 0.000 0.261 224 T C 0.705 175.385 174.700 -0.032 0.000 1.110 224 T CA 0.755 62.850 62.100 -0.007 0.000 1.113 224 T CB -0.436 68.530 68.868 0.165 0.000 0.917 224 T HN 0.872 nan 8.240 nan 0.000 0.499 225 S N 2.065 117.658 115.700 -0.179 0.000 2.566 225 S HA 0.538 5.008 4.470 -0.000 0.000 0.280 225 S C 0.769 175.183 174.600 -0.310 0.000 1.343 225 S CA -0.443 57.510 58.200 -0.412 0.000 1.036 225 S CB 0.385 63.342 63.200 -0.405 0.000 0.866 225 S HN 0.790 nan 8.310 nan 0.000 0.526 226 A N 1.661 124.290 122.820 -0.319 0.000 2.386 226 A HA 0.178 4.498 4.320 -0.000 0.000 0.246 226 A C 1.125 178.605 177.584 -0.173 0.000 1.089 226 A CA -0.222 51.750 52.037 -0.109 0.000 0.790 226 A CB -0.146 18.901 19.000 0.079 0.000 1.042 226 A HN 0.985 nan 8.150 nan 0.000 0.497 227 H N 0.580 119.654 119.070 0.007 0.000 2.518 227 H HA -0.092 4.464 4.556 -0.000 0.000 0.289 227 H C 1.929 177.274 175.328 0.027 0.000 1.051 227 H CA 2.015 58.071 56.048 0.014 0.000 1.280 227 H CB -0.194 29.588 29.762 0.034 0.000 1.380 227 H HN 0.823 nan 8.280 nan 0.000 0.566 228 T N -2.058 112.571 114.554 0.124 0.000 3.129 228 T HA 0.071 4.421 4.350 -0.000 0.000 0.251 228 T C 0.905 175.628 174.700 0.039 0.000 1.117 228 T CA -0.235 61.925 62.100 0.100 0.000 1.034 228 T CB -0.067 68.867 68.868 0.110 0.000 0.968 228 T HN -0.053 nan 8.240 nan 0.000 0.526 229 S N 3.047 118.731 115.700 -0.026 0.000 3.483 229 S HA 0.281 4.751 4.470 -0.000 0.000 0.274 229 S C 1.055 175.654 174.600 -0.002 0.000 1.289 229 S CA -0.519 57.640 58.200 -0.068 0.000 0.938 229 S CB -0.023 63.048 63.200 -0.214 0.000 1.453 229 S HN 0.711 nan 8.310 nan 0.000 0.494 230 T N -1.690 112.890 114.554 0.043 0.000 3.174 230 T HA 0.391 4.741 4.350 -0.000 0.000 0.269 230 T C 1.259 176.011 174.700 0.088 0.000 1.017 230 T CA 0.025 62.176 62.100 0.085 0.000 0.899 230 T CB 0.087 69.018 68.868 0.105 0.000 1.077 230 T HN 0.666 nan 8.240 nan 0.000 0.552 231 G N 2.264 111.121 108.800 0.095 0.000 2.321 231 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.287 231 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.287 231 G C 0.489 175.376 174.900 -0.022 0.000 1.018 231 G CA 0.420 45.559 45.100 0.066 0.000 0.855 231 G HN 0.529 nan 8.290 nan 0.000 0.507 232 D N -0.023 120.351 120.400 -0.044 0.000 2.182 232 D HA -0.075 4.565 4.640 -0.000 0.000 0.201 232 D C 2.399 178.632 176.300 -0.112 0.000 0.986 232 D CA 1.680 55.622 54.000 -0.096 0.000 0.847 232 D CB -0.603 40.049 40.800 -0.246 0.000 0.942 232 D HN 0.557 nan 8.370 nan 0.000 0.467 233 G N -0.007 108.730 108.800 -0.106 0.000 2.408 233 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.215 233 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.215 233 G C 1.670 176.520 174.900 -0.084 0.000 1.156 233 G CA 1.104 46.145 45.100 -0.098 0.000 0.793 233 G HN 0.226 nan 8.290 nan 0.000 0.535 234 T N 1.843 116.348 114.554 -0.081 0.000 2.788 234 T HA -0.000 4.349 4.350 -0.000 0.000 0.268 234 T C 2.767 177.399 174.700 -0.113 0.000 1.044 234 T CA 1.424 63.462 62.100 -0.103 0.000 1.139 234 T CB -0.292 68.496 68.868 -0.132 0.000 0.867 234 T HN 0.343 nan 8.240 nan 0.000 0.454 235 A N 1.425 124.186 122.820 -0.099 0.000 1.930 235 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 235 A C 2.358 179.911 177.584 -0.052 0.000 1.175 235 A CA 1.216 53.208 52.037 -0.074 0.000 0.627 235 A CB -0.653 18.321 19.000 -0.042 0.000 0.815 235 A HN 0.433 nan 8.150 nan 0.000 0.443 236 M N -0.811 118.757 119.600 -0.053 0.000 2.117 236 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 236 M C 2.128 178.401 176.300 -0.045 0.000 1.065 236 M CA 1.335 56.610 55.300 -0.042 0.000 1.114 236 M CB -0.480 32.090 32.600 -0.051 0.000 1.361 236 M HN 0.265 nan 8.290 nan 0.000 0.408 237 V N 0.083 119.959 119.914 -0.062 0.000 2.295 237 V HA -0.245 3.874 4.120 -0.000 0.000 0.246 237 V C 2.335 178.389 176.094 -0.066 0.000 1.049 237 V CA 2.252 64.511 62.300 -0.068 0.000 1.024 237 V CB -0.925 30.845 31.823 -0.089 0.000 0.648 237 V HN 0.499 nan 8.190 nan 0.000 0.447 238 T N -0.494 114.012 114.554 -0.079 0.000 2.720 238 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 238 T C 2.030 176.711 174.700 -0.031 0.000 1.037 238 T CA 1.470 63.526 62.100 -0.072 0.000 1.144 238 T CB -0.269 68.543 68.868 -0.093 0.000 0.864 238 T HN 0.384 nan 8.240 nan 0.000 0.444 239 R N 0.714 121.200 120.500 -0.023 0.000 2.189 239 R HA 0.116 4.456 4.340 -0.000 0.000 0.223 239 R C 2.344 178.644 176.300 0.000 0.000 1.092 239 R CA 0.911 57.009 56.100 -0.004 0.000 0.989 239 R CB -0.196 30.106 30.300 0.004 0.000 0.876 239 R HN 0.312 nan 8.270 nan 0.000 0.457 240 A N -0.061 122.755 122.820 -0.006 0.000 2.238 240 A HA 0.200 4.520 4.320 -0.000 0.000 0.208 240 A C 1.314 178.906 177.584 0.012 0.000 1.177 240 A CA 0.737 52.774 52.037 -0.001 0.000 0.804 240 A CB -0.057 18.937 19.000 -0.010 0.000 0.823 240 A HN 0.425 nan 8.150 nan 0.000 0.482 241 G N -1.355 107.460 108.800 0.025 0.000 2.143 241 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.249 241 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.249 241 G C 0.082 175.054 174.900 0.120 0.000 0.981 241 G CA 0.401 45.542 45.100 0.069 0.000 0.665 241 G HN 0.436 nan 8.290 nan 0.000 0.528 242 L N 1.528 122.776 121.223 0.041 0.000 2.399 242 L HA 0.557 4.897 4.340 -0.000 0.000 0.265 242 L C -1.418 175.353 176.870 -0.165 0.000 1.089 242 L CA -2.275 52.566 54.840 0.001 0.000 0.802 242 L CB 1.294 43.327 42.059 -0.043 0.000 1.180 242 L HN -0.020 nan 8.230 nan 0.000 0.454 243 P HA 0.205 nan 4.420 nan 0.000 0.284 243 P C -1.152 175.931 177.300 -0.363 0.000 1.258 243 P CA -0.525 62.173 63.100 -0.671 0.000 0.824 243 P CB 1.566 32.766 31.700 -0.833 0.000 1.038 244 C N 1.013 120.107 119.300 -0.342 0.000 2.407 244 C HA 0.605 5.065 4.460 -0.000 0.000 0.366 244 C C 0.211 175.085 174.990 -0.192 0.000 1.213 244 C CA 0.001 58.890 59.018 -0.216 0.000 2.011 244 C CB 1.256 28.886 27.740 -0.182 0.000 2.306 244 C HN 0.618 nan 8.230 nan 0.000 0.527 245 Q N 0.477 120.207 119.800 -0.117 0.000 2.331 245 Q HA 0.291 4.631 4.340 -0.000 0.000 0.272 245 Q C -1.020 175.004 176.000 0.041 0.000 1.062 245 Q CA -0.277 55.485 55.803 -0.069 0.000 0.806 245 Q CB 1.097 29.753 28.738 -0.136 0.000 1.312 245 Q HN 0.799 nan 8.270 nan 0.000 0.431 246 D N 2.959 123.447 120.400 0.147 0.000 2.837 246 D HA -0.219 4.421 4.640 -0.000 0.000 0.230 246 D C 0.761 177.252 176.300 0.318 0.000 1.152 246 D CA 0.925 55.130 54.000 0.341 0.000 0.736 246 D CB -0.882 40.128 40.800 0.351 0.000 1.084 246 D HN 0.694 nan 8.370 nan 0.000 0.429 247 L N 0.411 121.735 121.223 0.169 0.000 2.261 247 L HA -0.178 4.162 4.340 -0.000 0.000 0.216 247 L C 2.555 179.518 176.870 0.154 0.000 1.114 247 L CA 1.501 56.448 54.840 0.178 0.000 0.777 247 L CB -0.389 41.719 42.059 0.081 0.000 0.910 247 L HN 0.232 nan 8.230 nan 0.000 0.440 248 E N 0.423 120.632 120.200 0.015 0.000 2.478 248 E HA -0.174 4.176 4.350 -0.000 0.000 0.198 248 E C 0.192 176.625 176.600 -0.278 0.000 1.046 248 E CA 0.420 56.715 56.400 -0.176 0.000 0.870 248 E CB -0.297 29.134 29.700 -0.449 0.000 0.818 248 E HN 0.331 nan 8.360 nan 0.000 0.527 249 F N 1.820 121.803 119.950 0.054 0.000 2.462 249 F HA 0.211 4.738 4.527 -0.000 0.000 0.354 249 F C -0.106 175.713 175.800 0.031 0.000 1.192 249 F CA -0.596 57.446 58.000 0.071 0.000 1.173 249 F CB 1.022 40.072 39.000 0.082 0.000 1.402 249 F HN -0.286 nan 8.300 nan 0.000 0.595 250 V N 3.535 123.508 119.914 0.100 0.000 2.370 250 V HA 0.243 4.363 4.120 -0.000 0.000 0.283 250 V C -0.071 175.906 176.094 -0.196 0.000 1.023 250 V CA -0.938 61.289 62.300 -0.122 0.000 0.857 250 V CB 1.525 33.184 31.823 -0.274 0.000 0.985 250 V HN 0.594 nan 8.190 nan 0.000 0.443 251 Q N 3.937 123.638 119.800 -0.166 0.000 2.295 251 Q HA 0.412 4.751 4.340 -0.000 0.000 0.259 251 Q C -1.464 174.377 176.000 -0.264 0.000 0.976 251 Q CA -0.296 55.466 55.803 -0.068 0.000 0.923 251 Q CB 0.599 29.419 28.738 0.136 0.000 1.185 251 Q HN 0.610 nan 8.270 nan 0.000 0.410 252 F N 3.355 123.292 119.950 -0.021 0.000 2.391 252 F HA 0.208 4.735 4.527 -0.000 0.000 0.359 252 F C 0.533 176.320 175.800 -0.021 0.000 1.122 252 F CA -0.708 57.270 58.000 -0.037 0.000 1.120 252 F CB 0.780 39.729 39.000 -0.085 0.000 1.142 252 F HN 0.553 nan 8.300 nan 0.000 0.483 253 H N 5.624 124.693 119.070 -0.001 0.000 2.722 253 H HA 0.153 4.709 4.556 0.000 0.000 0.328 253 H C -1.864 173.421 175.328 -0.072 0.000 1.067 253 H CA -1.941 54.012 56.048 -0.158 0.000 1.447 253 H CB 1.845 31.309 29.762 -0.498 0.000 1.469 253 H HN 0.318 nan 8.280 nan 0.000 0.544 254 P HA -0.103 nan 4.420 nan 0.000 0.216 254 P C 0.231 177.611 177.300 0.133 0.000 1.150 254 P CA 1.692 64.789 63.100 -0.005 0.000 0.837 254 P CB 0.186 31.805 31.700 -0.136 0.000 0.786 255 T N -3.094 111.654 114.554 0.323 0.000 3.331 255 T HA 0.624 4.974 4.350 -0.000 0.000 0.381 255 T C 0.311 175.038 174.700 0.045 0.000 1.656 255 T CA -0.884 61.319 62.100 0.172 0.000 1.453 255 T CB 0.160 69.105 68.868 0.129 0.000 1.066 255 T HN -0.026 nan 8.240 nan 0.000 0.655 256 G N 1.904 110.725 108.800 0.034 0.000 2.400 256 G HA2 0.600 4.560 3.960 -0.000 0.000 0.301 256 G HA3 0.600 4.560 3.960 -0.000 0.000 0.301 256 G C -0.293 174.612 174.900 0.007 0.000 1.154 256 G CA -1.017 44.063 45.100 -0.035 0.000 0.852 256 G HN 0.841 nan 8.290 nan 0.000 0.511 257 I N 1.378 121.934 120.570 -0.023 0.000 2.648 257 I HA 0.098 4.268 4.170 -0.000 0.000 0.284 257 I C 0.094 176.226 176.117 0.025 0.000 1.153 257 I CA -0.699 60.611 61.300 0.017 0.000 1.426 257 I CB 0.456 38.456 38.000 0.001 0.000 1.381 257 I HN 0.534 nan 8.210 nan 0.000 0.571 258 Y N 7.734 127.990 120.300 -0.073 0.000 2.721 258 Y HA 0.284 4.834 4.550 -0.000 0.000 0.329 258 Y C 0.889 176.762 175.900 -0.045 0.000 1.211 258 Y CA 1.146 59.186 58.100 -0.100 0.000 1.512 258 Y CB 0.157 38.417 38.460 -0.332 0.000 1.249 258 Y HN 0.858 nan 8.280 nan 0.000 0.549 259 G N 3.942 112.323 108.800 -0.699 0.000 4.257 259 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.270 259 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.270 259 G C 1.213 175.975 174.900 -0.230 0.000 1.717 259 G CA 0.460 45.270 45.100 -0.484 0.000 1.170 259 G HN 1.400 nan 8.290 nan 0.000 0.642 260 A N 0.151 122.884 122.820 -0.146 0.000 1.948 260 A HA 0.362 4.682 4.320 -0.000 0.000 0.220 260 A C 3.245 180.698 177.584 -0.218 0.000 1.177 260 A CA 3.522 55.455 52.037 -0.173 0.000 0.636 260 A CB -1.017 17.818 19.000 -0.275 0.000 0.815 260 A HN 2.943 nan 8.150 nan 0.000 0.449 261 G N -2.903 105.787 108.800 -0.184 0.000 2.217 261 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.246 261 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.246 261 G C 0.353 175.154 174.900 -0.164 0.000 0.990 261 G CA 0.097 45.108 45.100 -0.149 0.000 0.627 261 G HN 0.871 nan 8.290 nan 0.000 0.522 262 C N 1.274 120.424 119.300 -0.251 0.000 2.611 262 C HA 0.427 4.887 4.460 -0.000 0.000 0.416 262 C C 1.334 176.228 174.990 -0.159 0.000 1.366 262 C CA -0.083 58.784 59.018 -0.251 0.000 1.761 262 C CB -0.436 27.047 27.740 -0.427 0.000 2.619 262 C HN 0.712 nan 8.230 nan 0.000 0.606 263 L N 5.136 126.279 121.223 -0.133 0.000 2.453 263 L HA 0.339 4.679 4.340 -0.000 0.000 0.272 263 L C -0.235 176.557 176.870 -0.130 0.000 1.182 263 L CA 0.778 55.511 54.840 -0.177 0.000 0.858 263 L CB 0.078 42.031 42.059 -0.177 0.000 1.120 263 L HN 0.481 nan 8.230 nan 0.000 0.474 264 I N 4.804 125.294 120.570 -0.134 0.000 2.354 264 I HA 0.136 4.306 4.170 -0.000 0.000 0.286 264 I C 0.507 176.603 176.117 -0.035 0.000 1.007 264 I CA -0.259 61.015 61.300 -0.043 0.000 1.167 264 I CB 0.968 38.970 38.000 0.005 0.000 1.320 264 I HN 0.637 nan 8.210 nan 0.000 0.458 265 T N 4.030 118.588 114.554 0.007 0.000 2.939 265 T HA -0.080 4.270 4.350 -0.000 0.000 0.319 265 T C 1.315 176.047 174.700 0.053 0.000 1.082 265 T CA 0.362 62.502 62.100 0.066 0.000 1.133 265 T CB 0.420 69.367 68.868 0.131 0.000 1.019 265 T HN 0.763 nan 8.240 nan 0.000 0.548 266 E N 2.482 122.699 120.200 0.028 0.000 2.409 266 E HA -0.026 4.324 4.350 -0.000 0.000 0.198 266 E C 2.009 178.368 176.600 -0.403 0.000 1.024 266 E CA 1.062 57.287 56.400 -0.292 0.000 0.861 266 E CB -0.716 28.607 29.700 -0.627 0.000 0.788 266 E HN 0.903 nan 8.360 nan 0.000 0.521 267 G N 0.289 109.039 108.800 -0.083 0.000 2.448 267 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.219 267 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.219 267 G C 1.562 176.483 174.900 0.035 0.000 1.127 267 G CA 0.805 45.974 45.100 0.115 0.000 0.766 267 G HN 0.400 nan 8.290 nan 0.000 0.552 268 C N 0.036 119.339 119.300 0.003 0.000 2.413 268 C HA -0.021 4.439 4.460 -0.000 0.000 0.276 268 C C 2.980 177.956 174.990 -0.023 0.000 1.236 268 C CA 0.915 59.933 59.018 0.001 0.000 1.735 268 C CB -0.788 26.954 27.740 0.004 0.000 2.031 268 C HN 0.483 nan 8.230 nan 0.000 0.474 269 R N 0.304 120.760 120.500 -0.073 0.000 2.115 269 R HA -0.025 4.315 4.340 -0.000 0.000 0.226 269 R C 2.460 178.717 176.300 -0.072 0.000 1.100 269 R CA 1.372 57.421 56.100 -0.084 0.000 0.980 269 R CB -0.647 29.566 30.300 -0.144 0.000 0.875 269 R HN 0.635 nan 8.270 nan 0.000 0.445 270 G N 1.208 109.951 108.800 -0.095 0.000 2.422 270 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 270 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 270 G C 1.108 176.051 174.900 0.071 0.000 1.146 270 G CA 0.459 45.551 45.100 -0.012 0.000 0.769 270 G HN 0.225 nan 8.290 nan 0.000 0.547 271 E N 0.260 120.504 120.200 0.074 0.000 2.502 271 E HA 0.173 4.523 4.350 -0.000 0.000 0.194 271 E C 1.748 178.378 176.600 0.050 0.000 1.062 271 E CA 0.615 57.068 56.400 0.089 0.000 0.867 271 E CB 0.234 29.984 29.700 0.083 0.000 0.888 271 E HN 0.500 nan 8.360 nan 0.000 0.510 272 G N 0.673 109.499 108.800 0.043 0.000 2.229 272 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.189 272 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.189 272 G C 0.678 175.648 174.900 0.117 0.000 1.000 272 G CA -0.282 44.859 45.100 0.069 0.000 0.663 272 G HN 0.477 nan 8.290 nan 0.000 0.493 273 G N 0.262 109.091 108.800 0.048 0.000 2.594 273 G HA2 0.638 4.598 3.960 -0.000 0.000 0.243 273 G HA3 0.638 4.598 3.960 -0.000 0.000 0.243 273 G C 0.219 175.158 174.900 0.065 0.000 1.229 273 G CA 0.336 45.488 45.100 0.086 0.000 0.843 273 G HN 1.526 nan 8.290 nan 0.000 0.578 274 I N -2.020 118.581 120.570 0.053 0.000 2.865 274 I HA 0.613 4.783 4.170 -0.000 0.000 0.302 274 I C -0.807 175.270 176.117 -0.066 0.000 1.140 274 I CA -1.367 59.901 61.300 -0.052 0.000 1.021 274 I CB 2.246 40.181 38.000 -0.108 0.000 1.233 274 I HN 0.239 nan 8.210 nan 0.000 0.427 275 L N 5.113 126.238 121.223 -0.163 0.000 2.292 275 L HA 0.622 4.962 4.340 -0.000 0.000 0.284 275 L C -0.201 176.574 176.870 -0.159 0.000 1.065 275 L CA -0.640 54.111 54.840 -0.147 0.000 0.806 275 L CB 1.377 43.254 42.059 -0.304 0.000 1.175 275 L HN 0.595 nan 8.230 nan 0.000 0.431 276 I N -0.388 120.282 120.570 0.166 0.000 2.934 276 I HA 0.611 4.781 4.170 -0.000 0.000 0.306 276 I C -0.740 175.666 176.117 0.481 0.000 1.110 276 I CA -0.928 60.547 61.300 0.291 0.000 1.019 276 I CB 2.130 40.250 38.000 0.200 0.000 1.227 276 I HN 0.543 nan 8.210 nan 0.000 0.434 277 N N 1.427 120.380 118.700 0.421 0.000 2.681 277 N HA 0.285 5.025 4.740 -0.000 0.000 0.311 277 N C 0.725 176.288 175.510 0.088 0.000 1.303 277 N CA -0.164 52.970 53.050 0.140 0.000 0.926 277 N CB 0.126 38.592 38.487 -0.034 0.000 1.136 277 N HN 0.713 nan 8.380 nan 0.000 0.592 278 S N -2.193 113.496 115.700 -0.018 0.000 2.515 278 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 278 S C 0.992 175.623 174.600 0.050 0.000 0.987 278 S CA 0.535 58.738 58.200 0.005 0.000 0.936 278 S CB -0.551 62.607 63.200 -0.069 0.000 0.766 278 S HN 0.620 nan 8.310 nan 0.000 0.528 279 Q N 0.408 120.241 119.800 0.055 0.000 2.280 279 Q HA 0.330 4.670 4.340 -0.000 0.000 0.201 279 Q C 1.217 177.267 176.000 0.083 0.000 0.890 279 Q CA 0.194 56.032 55.803 0.057 0.000 0.947 279 Q CB 0.265 29.028 28.738 0.042 0.000 1.081 279 Q HN 0.749 nan 8.270 nan 0.000 0.502 280 G N 1.761 110.632 108.800 0.119 0.000 2.184 280 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.264 280 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.264 280 G C -0.023 174.945 174.900 0.114 0.000 0.975 280 G CA 0.432 45.605 45.100 0.121 0.000 0.642 280 G HN 0.437 nan 8.290 nan 0.000 0.536 281 E N 0.386 120.671 120.200 0.141 0.000 2.338 281 E HA 0.338 4.688 4.350 -0.000 0.000 0.272 281 E C 0.620 177.329 176.600 0.180 0.000 1.029 281 E CA -0.786 55.702 56.400 0.145 0.000 0.872 281 E CB 0.306 30.103 29.700 0.161 0.000 1.015 281 E HN 0.315 nan 8.360 nan 0.000 0.417 282 R N 5.441 125.978 120.500 0.061 0.000 3.268 282 R HA 0.049 4.389 4.340 -0.000 0.000 0.217 282 R C 0.655 176.918 176.300 -0.062 0.000 1.568 282 R CA -0.168 55.889 56.100 -0.071 0.000 1.322 282 R CB -0.485 29.762 30.300 -0.089 0.000 1.280 282 R HN 0.585 nan 8.270 nan 0.000 0.667 283 F N 1.200 121.200 119.950 0.083 0.000 2.333 283 F HA -0.136 4.391 4.527 -0.000 0.000 0.300 283 F C 1.274 177.224 175.800 0.249 0.000 1.083 283 F CA 0.392 58.488 58.000 0.160 0.000 1.395 283 F CB -0.227 38.904 39.000 0.219 0.000 1.056 283 F HN 0.257 nan 8.300 nan 0.000 0.529 284 M N 1.051 120.518 119.600 -0.223 0.000 2.460 284 M HA -0.102 4.378 4.480 -0.000 0.000 0.263 284 M C 1.809 178.157 176.300 0.080 0.000 1.071 284 M CA 0.943 56.250 55.300 0.011 0.000 1.096 284 M CB -1.252 31.238 32.600 -0.184 0.000 1.408 284 M HN 0.410 nan 8.290 nan 0.000 0.463 285 E N -0.407 119.810 120.200 0.028 0.000 2.268 285 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 285 E C 2.102 178.730 176.600 0.046 0.000 0.995 285 E CA 0.745 57.161 56.400 0.026 0.000 0.836 285 E CB -0.017 29.686 29.700 0.004 0.000 0.763 285 E HN 0.464 nan 8.360 nan 0.000 0.491 286 R N -0.445 120.097 120.500 0.070 0.000 2.128 286 R HA -0.040 4.300 4.340 -0.000 0.000 0.211 286 R C 1.466 177.716 176.300 -0.084 0.000 1.067 286 R CA 0.671 56.749 56.100 -0.037 0.000 1.010 286 R CB 0.129 30.370 30.300 -0.098 0.000 0.922 286 R HN 0.128 nan 8.270 nan 0.000 0.457 287 Y N -0.634 119.722 120.300 0.093 0.000 2.365 287 Y HA 0.303 4.853 4.550 -0.000 0.000 0.293 287 Y C 0.656 176.605 175.900 0.082 0.000 1.119 287 Y CA 0.560 58.719 58.100 0.097 0.000 1.203 287 Y CB 0.589 39.127 38.460 0.131 0.000 1.026 287 Y HN 0.086 nan 8.280 nan 0.000 0.549 288 A N -0.451 122.499 122.820 0.216 0.000 2.943 288 A HA 0.427 4.747 4.320 -0.000 0.000 0.327 288 A C -2.182 175.460 177.584 0.097 0.000 1.141 288 A CA -1.231 50.898 52.037 0.154 0.000 0.773 288 A CB 0.274 19.366 19.000 0.153 0.000 1.143 288 A HN -0.006 nan 8.150 nan 0.000 0.463 289 P HA -0.231 nan 4.420 nan 0.000 0.217 289 P C 1.605 178.929 177.300 0.039 0.000 1.158 289 P CA 1.776 64.901 63.100 0.043 0.000 0.887 289 P CB 0.297 32.016 31.700 0.031 0.000 0.792 290 V N -0.464 119.480 119.914 0.050 0.000 2.283 290 V HA -0.103 4.017 4.120 -0.000 0.000 0.239 290 V C 2.438 178.562 176.094 0.050 0.000 1.035 290 V CA 2.139 64.465 62.300 0.044 0.000 1.018 290 V CB -1.778 30.071 31.823 0.043 0.000 0.658 290 V HN 0.060 nan 8.190 nan 0.000 0.459 291 A N -1.445 121.425 122.820 0.084 0.000 2.015 291 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 291 A C 1.500 179.097 177.584 0.022 0.000 1.163 291 A CA 1.582 53.663 52.037 0.073 0.000 0.646 291 A CB -0.236 18.851 19.000 0.144 0.000 0.806 291 A HN 0.627 nan 8.150 nan 0.000 0.448 292 K N -2.041 118.374 120.400 0.025 0.000 1.791 292 K HA -0.275 4.045 4.320 -0.000 0.000 0.140 292 K C 0.334 176.896 176.600 -0.063 0.000 1.312 292 K CA 1.874 58.151 56.287 -0.016 0.000 0.382 292 K CB -1.417 31.063 32.500 -0.033 0.000 0.635 292 K HN 0.435 nan 8.250 nan 0.000 0.838 293 D N 1.005 121.342 120.400 -0.105 0.000 2.363 293 D HA 0.065 4.705 4.640 -0.000 0.000 0.226 293 D C 0.731 176.944 176.300 -0.146 0.000 1.020 293 D CA 0.673 54.586 54.000 -0.145 0.000 0.892 293 D CB 0.022 40.729 40.800 -0.156 0.000 0.900 293 D HN 0.189 nan 8.370 nan 0.000 0.531 294 L N 0.276 121.429 121.223 -0.117 0.000 3.017 294 L HA 0.416 4.756 4.340 -0.000 0.000 0.255 294 L C 0.705 177.493 176.870 -0.137 0.000 1.247 294 L CA -0.573 54.184 54.840 -0.138 0.000 1.038 294 L CB 0.170 42.167 42.059 -0.103 0.000 1.380 294 L HN -0.012 nan 8.230 nan 0.000 0.548 295 A N 0.081 122.809 122.820 -0.154 0.000 2.280 295 A HA 0.484 4.804 4.320 -0.000 0.000 0.268 295 A C 0.783 178.094 177.584 -0.456 0.000 1.111 295 A CA -0.138 51.749 52.037 -0.250 0.000 0.814 295 A CB 0.330 19.257 19.000 -0.123 0.000 1.093 295 A HN 0.365 nan 8.150 nan 0.000 0.498 296 S N -0.576 114.606 115.700 -0.862 0.000 2.584 296 S HA 0.155 4.625 4.470 -0.000 0.000 0.270 296 S C 0.948 175.336 174.600 -0.353 0.000 1.346 296 S CA 0.013 57.834 58.200 -0.632 0.000 1.018 296 S CB 0.480 63.233 63.200 -0.745 0.000 0.899 296 S HN 0.643 nan 8.310 nan 0.000 0.542 297 R N 1.279 121.621 120.500 -0.264 0.000 2.105 297 R HA -0.121 4.219 4.340 -0.000 0.000 0.239 297 R C 1.955 178.171 176.300 -0.140 0.000 1.135 297 R CA 1.757 57.726 56.100 -0.218 0.000 0.967 297 R CB -0.594 29.578 30.300 -0.213 0.000 0.861 297 R HN 0.913 nan 8.270 nan 0.000 0.442 298 D N 0.390 120.731 120.400 -0.097 0.000 2.144 298 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 298 D C 1.806 178.056 176.300 -0.084 0.000 0.984 298 D CA 1.079 55.050 54.000 -0.048 0.000 0.834 298 D CB -0.377 40.432 40.800 0.016 0.000 0.955 298 D HN 0.095 nan 8.370 nan 0.000 0.465 299 V N 0.874 120.734 119.914 -0.090 0.000 2.379 299 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 299 V C 2.936 178.977 176.094 -0.088 0.000 1.044 299 V CA 0.997 63.264 62.300 -0.055 0.000 1.036 299 V CB -0.183 31.633 31.823 -0.011 0.000 0.664 299 V HN 0.096 nan 8.190 nan 0.000 0.453 300 V N -0.382 119.458 119.914 -0.123 0.000 2.358 300 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 300 V C 2.587 178.620 176.094 -0.102 0.000 1.047 300 V CA 2.261 64.494 62.300 -0.112 0.000 1.035 300 V CB -0.662 31.076 31.823 -0.142 0.000 0.658 300 V HN 0.519 nan 8.190 nan 0.000 0.452 301 S N -0.619 115.013 115.700 -0.114 0.000 2.359 301 S HA -0.210 4.260 4.470 -0.000 0.000 0.224 301 S C 2.147 176.645 174.600 -0.170 0.000 1.035 301 S CA 1.604 59.737 58.200 -0.112 0.000 1.018 301 S CB -0.310 62.840 63.200 -0.083 0.000 0.876 301 S HN 0.492 nan 8.310 nan 0.000 0.448 302 R N 0.817 121.186 120.500 -0.219 0.000 2.073 302 R HA -0.044 4.296 4.340 -0.000 0.000 0.234 302 R C 2.653 178.892 176.300 -0.101 0.000 1.134 302 R CA 1.622 57.575 56.100 -0.244 0.000 0.952 302 R CB -0.509 29.633 30.300 -0.263 0.000 0.850 302 R HN 0.306 nan 8.270 nan 0.000 0.433 303 S N 1.026 116.590 115.700 -0.227 0.000 2.359 303 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 303 S C 1.962 176.298 174.600 -0.441 0.000 1.035 303 S CA 1.505 59.335 58.200 -0.616 0.000 1.018 303 S CB -0.169 62.572 63.200 -0.765 0.000 0.876 303 S HN 0.253 nan 8.310 nan 0.000 0.448 304 M N 1.055 120.549 119.600 -0.177 0.000 2.149 304 M HA -0.112 4.368 4.480 -0.000 0.000 0.261 304 M C 2.290 178.484 176.300 -0.176 0.000 1.064 304 M CA 1.334 56.543 55.300 -0.151 0.000 1.102 304 M CB -0.954 31.649 32.600 0.006 0.000 1.369 304 M HN 0.256 nan 8.290 nan 0.000 0.408 305 T N 0.792 115.286 114.554 -0.099 0.000 2.821 305 T HA -0.050 4.299 4.350 -0.000 0.000 0.267 305 T C 1.723 176.416 174.700 -0.011 0.000 1.046 305 T CA 1.123 63.207 62.100 -0.026 0.000 1.139 305 T CB -0.278 68.616 68.868 0.043 0.000 0.871 305 T HN 0.319 nan 8.240 nan 0.000 0.454 306 I N 0.792 121.356 120.570 -0.010 0.000 2.233 306 I HA -0.102 4.068 4.170 -0.000 0.000 0.243 306 I C 2.719 178.784 176.117 -0.087 0.000 1.093 306 I CA 0.958 62.246 61.300 -0.019 0.000 1.380 306 I CB -0.264 37.778 38.000 0.071 0.000 1.067 306 I HN 0.088 nan 8.210 nan 0.000 0.413 307 E N 0.914 120.992 120.200 -0.202 0.000 2.097 307 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 307 E C 2.248 178.712 176.600 -0.226 0.000 1.000 307 E CA 1.508 57.735 56.400 -0.288 0.000 0.804 307 E CB -0.297 28.991 29.700 -0.686 0.000 0.740 307 E HN 0.543 nan 8.360 nan 0.000 0.454 308 I N 0.497 120.945 120.570 -0.204 0.000 2.202 308 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 308 I C 2.595 178.644 176.117 -0.114 0.000 1.091 308 I CA 0.907 62.113 61.300 -0.158 0.000 1.368 308 I CB -0.244 37.681 38.000 -0.124 0.000 1.058 308 I HN 0.002 nan 8.210 nan 0.000 0.410 309 R N 0.905 121.350 120.500 -0.092 0.000 2.105 309 R HA -0.165 4.175 4.340 -0.000 0.000 0.239 309 R C 1.447 177.697 176.300 -0.083 0.000 1.135 309 R CA 1.261 57.312 56.100 -0.082 0.000 0.967 309 R CB -0.316 29.929 30.300 -0.092 0.000 0.861 309 R HN 0.482 nan 8.270 nan 0.000 0.442 310 E N -0.426 119.724 120.200 -0.084 0.000 2.403 310 E HA 0.065 4.415 4.350 -0.000 0.000 0.187 310 E C 0.555 177.109 176.600 -0.076 0.000 1.073 310 E CA 0.267 56.624 56.400 -0.072 0.000 0.888 310 E CB 0.540 30.207 29.700 -0.055 0.000 1.035 310 E HN 0.545 nan 8.360 nan 0.000 0.471 311 G N 2.169 110.916 108.800 -0.089 0.000 2.159 311 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.256 311 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.256 311 G C 0.742 175.579 174.900 -0.105 0.000 0.977 311 G CA 0.003 45.049 45.100 -0.089 0.000 0.652 311 G HN 0.283 nan 8.290 nan 0.000 0.531 312 R N 0.471 120.892 120.500 -0.131 0.000 2.515 312 R HA 0.367 4.707 4.340 -0.000 0.000 0.294 312 R C 1.485 177.665 176.300 -0.200 0.000 1.021 312 R CA 0.221 56.235 56.100 -0.144 0.000 1.081 312 R CB 0.520 30.738 30.300 -0.136 0.000 1.263 312 R HN 0.352 nan 8.270 nan 0.000 0.557 313 G N 0.230 108.897 108.800 -0.222 0.000 2.572 313 G HA2 0.251 4.211 3.960 -0.000 0.000 0.261 313 G HA3 0.251 4.211 3.960 -0.000 0.000 0.261 313 G C -0.034 174.641 174.900 -0.375 0.000 1.197 313 G CA -0.411 44.505 45.100 -0.307 0.000 0.870 313 G HN 0.180 nan 8.290 nan 0.000 0.548 314 C N -0.856 118.072 119.300 -0.619 0.000 2.423 314 C HA 1.009 5.469 4.460 -0.000 0.000 0.378 314 C C 0.967 175.442 174.990 -0.857 0.000 1.244 314 C CA 0.474 59.081 59.018 -0.685 0.000 1.978 314 C CB 0.604 27.738 27.740 -1.011 0.000 2.252 314 C HN 1.693 nan 8.230 nan 0.000 0.526 315 G N 1.586 110.128 108.800 -0.431 0.000 2.781 315 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.683 315 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.683 315 G C -1.719 173.109 174.900 -0.119 0.000 1.390 315 G CA -0.106 44.877 45.100 -0.195 0.000 0.850 315 G HN 0.509 nan 8.290 nan 0.000 0.557 316 P HA -0.024 nan 4.420 nan 0.000 0.221 316 P C 0.836 178.124 177.300 -0.020 0.000 1.145 316 P CA 1.495 64.595 63.100 0.001 0.000 0.795 316 P CB 0.205 31.934 31.700 0.049 0.000 0.775 317 E N -0.433 119.743 120.200 -0.039 0.000 2.501 317 E HA 0.087 4.437 4.350 -0.000 0.000 0.201 317 E C 0.279 176.814 176.600 -0.107 0.000 1.016 317 E CA -0.309 56.072 56.400 -0.032 0.000 0.920 317 E CB -0.085 29.646 29.700 0.051 0.000 1.023 317 E HN 0.274 nan 8.360 nan 0.000 0.474 318 K N 1.883 122.158 120.400 -0.208 0.000 3.177 318 K HA -0.186 4.134 4.320 -0.000 0.000 0.266 318 K C -0.143 176.301 176.600 -0.260 0.000 0.937 318 K CA 1.056 57.181 56.287 -0.270 0.000 0.702 318 K CB -1.025 31.373 32.500 -0.170 0.000 1.365 318 K HN 0.206 nan 8.250 nan 0.000 0.466 319 D N -0.844 119.367 120.400 -0.315 0.000 2.469 319 D HA 0.008 4.648 4.640 -0.000 0.000 0.215 319 D C 0.572 176.803 176.300 -0.115 0.000 1.154 319 D CA 0.067 53.981 54.000 -0.143 0.000 0.832 319 D CB 0.102 40.931 40.800 0.048 0.000 1.008 319 D HN 0.627 nan 8.370 nan 0.000 0.506 320 H N -1.831 117.071 119.070 -0.279 0.000 2.928 320 H HA 0.650 5.206 4.556 -0.000 0.000 0.285 320 H C -0.790 174.363 175.328 -0.292 0.000 1.438 320 H CA -0.966 54.937 56.048 -0.242 0.000 1.176 320 H CB 1.291 30.847 29.762 -0.343 0.000 1.864 320 H HN -0.077 nan 8.280 nan 0.000 0.567 321 V N -2.195 117.707 119.914 -0.020 0.000 3.139 321 V HA 0.600 4.720 4.120 -0.000 0.000 0.310 321 V C -1.231 174.860 176.094 -0.005 0.000 1.260 321 V CA -1.095 61.135 62.300 -0.117 0.000 1.064 321 V CB 1.752 33.602 31.823 0.044 0.000 1.160 321 V HN 0.770 nan 8.190 nan 0.000 0.470 322 Y N 0.245 120.662 120.300 0.195 0.000 2.429 322 Y HA 0.749 5.299 4.550 -0.000 0.000 0.342 322 Y C -0.467 175.505 175.900 0.120 0.000 1.004 322 Y CA -0.978 57.217 58.100 0.159 0.000 1.075 322 Y CB 2.216 40.759 38.460 0.139 0.000 1.214 322 Y HN 0.604 nan 8.280 nan 0.000 0.455 323 L N 4.285 125.681 121.223 0.288 0.000 2.276 323 L HA 0.367 4.707 4.340 -0.000 0.000 0.286 323 L C -0.682 176.248 176.870 0.099 0.000 1.024 323 L CA -0.469 54.460 54.840 0.148 0.000 0.826 323 L CB 1.268 43.396 42.059 0.115 0.000 1.211 323 L HN 0.671 nan 8.230 nan 0.000 0.422 324 Q N 4.763 124.594 119.800 0.051 0.000 2.314 324 Q HA 0.429 4.769 4.340 -0.000 0.000 0.259 324 Q C -0.660 175.335 176.000 -0.009 0.000 0.951 324 Q CA -0.347 55.433 55.803 -0.037 0.000 0.909 324 Q CB 1.108 29.777 28.738 -0.115 0.000 1.236 324 Q HN 0.938 nan 8.270 nan 0.000 0.444 325 L N 3.757 124.925 121.223 -0.092 0.000 2.920 325 L HA 0.111 4.451 4.340 -0.000 0.000 0.257 325 L C 1.736 178.480 176.870 -0.210 0.000 1.150 325 L CA -0.216 54.536 54.840 -0.146 0.000 0.959 325 L CB 0.001 42.019 42.059 -0.069 0.000 1.321 325 L HN 0.753 nan 8.230 nan 0.000 0.555 326 H N -0.206 118.884 119.070 0.032 0.000 2.545 326 H HA -0.105 4.451 4.556 0.000 0.000 0.282 326 H C 1.594 176.933 175.328 0.017 0.000 1.020 326 H CA 1.126 57.180 56.048 0.010 0.000 1.243 326 H CB -0.385 29.392 29.762 0.026 0.000 1.377 326 H HN 0.559 nan 8.280 nan 0.000 0.581 327 H N 0.488 119.522 119.070 -0.060 0.000 2.556 327 H HA 0.218 4.774 4.556 -0.000 0.000 0.268 327 H C 0.479 175.816 175.328 0.014 0.000 0.996 327 H CA -0.231 55.831 56.048 0.024 0.000 1.157 327 H CB -0.320 29.426 29.762 -0.027 0.000 1.355 327 H HN 0.256 nan 8.280 nan 0.000 0.597 328 L N 1.938 122.927 121.223 -0.390 0.000 2.379 328 L HA 0.346 4.686 4.340 -0.000 0.000 0.269 328 L C -2.137 174.675 176.870 -0.098 0.000 1.084 328 L CA -2.247 52.435 54.840 -0.263 0.000 0.802 328 L CB 0.933 42.807 42.059 -0.308 0.000 1.175 328 L HN -0.058 nan 8.230 nan 0.000 0.448 329 P HA 0.049 nan 4.420 nan 0.000 0.267 329 P C -1.974 175.309 177.300 -0.028 0.000 1.205 329 P CA -0.981 62.103 63.100 -0.027 0.000 0.765 329 P CB 0.149 31.837 31.700 -0.020 0.000 0.828 330 P HA -0.218 nan 4.420 nan 0.000 0.221 330 P C 1.341 178.630 177.300 -0.018 0.000 1.145 330 P CA 1.214 64.306 63.100 -0.014 0.000 0.795 330 P CB 0.250 31.946 31.700 -0.005 0.000 0.775 331 Q N 0.520 120.308 119.800 -0.020 0.000 2.167 331 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 331 Q C 2.391 178.372 176.000 -0.032 0.000 0.970 331 Q CA 1.559 57.348 55.803 -0.024 0.000 0.855 331 Q CB -0.938 27.786 28.738 -0.023 0.000 0.911 331 Q HN 0.274 nan 8.270 nan 0.000 0.438 332 Q N -0.640 119.140 119.800 -0.034 0.000 2.079 332 Q HA -0.103 4.237 4.340 -0.000 0.000 0.200 332 Q C 1.972 177.953 176.000 -0.032 0.000 0.974 332 Q CA 1.186 56.965 55.803 -0.039 0.000 0.840 332 Q CB -0.040 28.677 28.738 -0.036 0.000 0.898 332 Q HN 0.456 nan 8.270 nan 0.000 0.430 333 L N 0.020 121.225 121.223 -0.029 0.000 2.046 333 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 333 L C 2.542 179.404 176.870 -0.012 0.000 1.077 333 L CA 1.183 56.012 54.840 -0.019 0.000 0.747 333 L CB -0.636 41.412 42.059 -0.019 0.000 0.896 333 L HN 0.254 nan 8.230 nan 0.000 0.432 334 A N -0.821 121.989 122.820 -0.016 0.000 1.968 334 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 334 A C 2.311 179.883 177.584 -0.021 0.000 1.169 334 A CA 2.043 54.071 52.037 -0.015 0.000 0.638 334 A CB -0.583 18.407 19.000 -0.016 0.000 0.812 334 A HN 0.386 nan 8.150 nan 0.000 0.446 335 T N -0.989 113.546 114.554 -0.033 0.000 2.976 335 T HA 0.022 4.372 4.350 -0.000 0.000 0.257 335 T C 1.972 176.641 174.700 -0.051 0.000 1.051 335 T CA 0.811 62.881 62.100 -0.050 0.000 1.141 335 T CB -0.021 68.801 68.868 -0.077 0.000 0.881 335 T HN 0.324 nan 8.240 nan 0.000 0.461 336 R N 0.583 121.061 120.500 -0.037 0.000 2.206 336 R HA 0.339 4.679 4.340 -0.000 0.000 0.198 336 R C 0.821 177.148 176.300 0.044 0.000 0.986 336 R CA 0.457 56.558 56.100 0.001 0.000 1.029 336 R CB -0.087 30.227 30.300 0.022 0.000 0.966 336 R HN 0.342 nan 8.270 nan 0.000 0.487 337 L N 2.187 123.426 121.223 0.027 0.000 3.193 337 L HA 0.261 4.601 4.340 -0.000 0.000 0.305 337 L C -1.625 175.258 176.870 0.022 0.000 1.299 337 L CA -0.951 53.910 54.840 0.035 0.000 0.904 337 L CB 1.368 43.447 42.059 0.033 0.000 1.331 337 L HN -0.111 nan 8.230 nan 0.000 0.588 338 P HA -0.143 nan 4.420 nan 0.000 0.217 338 P C 1.586 178.891 177.300 0.008 0.000 1.150 338 P CA 1.558 64.661 63.100 0.005 0.000 0.832 338 P CB 0.383 32.081 31.700 -0.004 0.000 0.787 339 G N 1.506 110.313 108.800 0.011 0.000 2.433 339 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 339 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 339 G C 1.538 176.456 174.900 0.030 0.000 1.186 339 G CA 1.337 46.445 45.100 0.012 0.000 0.779 339 G HN 0.400 nan 8.290 nan 0.000 0.543 340 I N -1.048 119.544 120.570 0.036 0.000 2.676 340 I HA 0.105 4.275 4.170 -0.000 0.000 0.259 340 I C 2.442 178.588 176.117 0.048 0.000 1.194 340 I CA 1.386 62.714 61.300 0.046 0.000 1.473 340 I CB -0.342 37.683 38.000 0.042 0.000 1.096 340 I HN -0.037 nan 8.210 nan 0.000 0.443 341 S N 0.851 116.572 115.700 0.035 0.000 2.370 341 S HA -0.219 4.251 4.470 -0.000 0.000 0.226 341 S C 1.956 176.576 174.600 0.034 0.000 1.033 341 S CA 1.876 60.095 58.200 0.031 0.000 1.011 341 S CB -0.371 62.839 63.200 0.017 0.000 0.852 341 S HN 0.615 nan 8.310 nan 0.000 0.457 342 E N 1.038 121.257 120.200 0.032 0.000 2.072 342 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 342 E C 2.121 178.757 176.600 0.060 0.000 0.985 342 E CA 1.478 57.896 56.400 0.030 0.000 0.801 342 E CB -0.577 29.134 29.700 0.019 0.000 0.750 342 E HN 0.365 nan 8.360 nan 0.000 0.452 343 T N 0.197 114.814 114.554 0.105 0.000 2.746 343 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 343 T C 1.795 176.629 174.700 0.223 0.000 1.039 343 T CA 1.457 63.686 62.100 0.215 0.000 1.142 343 T CB -0.497 68.478 68.868 0.179 0.000 0.866 343 T HN 0.333 nan 8.240 nan 0.000 0.444 344 A N 1.287 124.188 122.820 0.134 0.000 1.908 344 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 344 A C 2.231 179.871 177.584 0.095 0.000 1.181 344 A CA 1.986 54.094 52.037 0.118 0.000 0.627 344 A CB -0.637 18.412 19.000 0.082 0.000 0.818 344 A HN 0.428 nan 8.150 nan 0.000 0.445 345 M N 0.080 119.714 119.600 0.057 0.000 2.099 345 M HA 0.017 4.497 4.480 -0.000 0.000 0.262 345 M C 1.819 178.104 176.300 -0.026 0.000 1.067 345 M CA 1.546 56.856 55.300 0.017 0.000 1.124 345 M CB -0.640 31.960 32.600 0.001 0.000 1.353 345 M HN 0.386 nan 8.290 nan 0.000 0.410 346 I N -1.127 119.404 120.570 -0.066 0.000 2.252 346 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 346 I C 1.407 177.281 176.117 -0.403 0.000 1.102 346 I CA 1.311 62.449 61.300 -0.270 0.000 1.385 346 I CB -0.399 37.349 38.000 -0.420 0.000 1.064 346 I HN 0.170 nan 8.210 nan 0.000 0.414 347 F N -0.161 119.797 119.950 0.013 0.000 2.749 347 F HA 0.277 4.804 4.527 0.000 0.000 0.300 347 F C 1.772 177.585 175.800 0.021 0.000 1.103 347 F CA 0.421 58.428 58.000 0.012 0.000 1.342 347 F CB 0.180 39.183 39.000 0.006 0.000 1.098 347 F HN -0.052 nan 8.300 nan 0.000 0.586 348 A N -0.886 122.029 122.820 0.158 0.000 2.653 348 A HA 0.522 4.842 4.320 -0.000 0.000 0.248 348 A C 1.610 179.244 177.584 0.083 0.000 1.211 348 A CA 0.400 52.514 52.037 0.129 0.000 0.991 348 A CB -0.466 18.618 19.000 0.139 0.000 1.252 348 A HN 0.376 nan 8.150 nan 0.000 0.593 349 G N -0.282 108.547 108.800 0.049 0.000 2.225 349 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.267 349 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.267 349 G C 0.140 175.060 174.900 0.034 0.000 1.024 349 G CA 0.492 45.609 45.100 0.027 0.000 0.784 349 G HN 0.974 nan 8.290 nan 0.000 0.507 350 V N 0.502 120.443 119.914 0.045 0.000 2.481 350 V HA 0.519 4.639 4.120 -0.000 0.000 0.286 350 V C 0.012 176.125 176.094 0.033 0.000 1.042 350 V CA -0.559 61.766 62.300 0.042 0.000 0.928 350 V CB 1.942 33.801 31.823 0.059 0.000 0.986 350 V HN 0.350 nan 8.190 nan 0.000 0.462 351 D N 3.380 123.794 120.400 0.024 0.000 2.454 351 D HA 0.172 4.812 4.640 -0.000 0.000 0.225 351 D C 0.944 177.264 176.300 0.034 0.000 1.081 351 D CA -0.424 53.588 54.000 0.020 0.000 0.864 351 D CB 1.798 42.603 40.800 0.007 0.000 1.040 351 D HN 0.356 nan 8.370 nan 0.000 0.517 352 V N 2.314 122.253 119.914 0.040 0.000 2.828 352 V HA -0.167 3.953 4.120 -0.000 0.000 0.260 352 V C 1.700 177.838 176.094 0.074 0.000 1.101 352 V CA 2.150 64.484 62.300 0.056 0.000 1.123 352 V CB -1.537 30.310 31.823 0.039 0.000 0.704 352 V HN 0.642 nan 8.190 nan 0.000 0.493 353 T N -2.860 111.725 114.554 0.053 0.000 3.088 353 T HA 0.112 4.462 4.350 -0.000 0.000 0.259 353 T C 1.518 176.260 174.700 0.071 0.000 1.122 353 T CA 1.095 63.232 62.100 0.061 0.000 1.095 353 T CB -0.119 68.764 68.868 0.026 0.000 0.930 353 T HN 0.626 nan 8.240 nan 0.000 0.508 354 K N -0.270 120.152 120.400 0.037 0.000 2.462 354 K HA 0.287 4.607 4.320 -0.000 0.000 0.201 354 K C 0.229 176.743 176.600 -0.143 0.000 1.268 354 K CA 0.127 56.373 56.287 -0.068 0.000 0.933 354 K CB 0.770 33.234 32.500 -0.060 0.000 1.162 354 K HN 0.195 nan 8.250 nan 0.000 0.527 355 E N 0.697 120.909 120.200 0.021 0.000 2.416 355 E HA 0.333 4.683 4.350 -0.000 0.000 0.273 355 E C -2.792 173.880 176.600 0.119 0.000 0.935 355 E CA -2.167 54.252 56.400 0.031 0.000 0.784 355 E CB 2.012 31.685 29.700 -0.045 0.000 1.301 355 E HN -0.125 nan 8.360 nan 0.000 0.454 356 P HA 0.368 nan 4.420 nan 0.000 0.278 356 P C -0.130 177.170 177.300 -0.001 0.000 1.258 356 P CA -0.383 62.698 63.100 -0.032 0.000 0.811 356 P CB 0.924 32.516 31.700 -0.180 0.000 1.063 357 I N 2.564 123.196 120.570 0.104 0.000 2.396 357 I HA 0.247 4.417 4.170 -0.000 0.000 0.292 357 I C -1.922 174.363 176.117 0.281 0.000 0.999 357 I CA -2.539 58.852 61.300 0.152 0.000 1.310 357 I CB 1.419 39.489 38.000 0.117 0.000 1.404 357 I HN 0.141 nan 8.210 nan 0.000 0.496 358 P HA 0.208 nan 4.420 nan 0.000 0.287 358 P C -0.864 176.484 177.300 0.080 0.000 1.294 358 P CA -0.117 63.075 63.100 0.153 0.000 0.776 358 P CB 1.366 32.970 31.700 -0.161 0.000 0.889 359 V N 2.022 122.009 119.914 0.121 0.000 3.130 359 V HA 0.864 4.984 4.120 -0.000 0.000 0.310 359 V C -1.057 175.133 176.094 0.160 0.000 1.158 359 V CA -1.238 61.142 62.300 0.134 0.000 1.029 359 V CB 2.154 34.054 31.823 0.130 0.000 1.057 359 V HN 0.480 nan 8.190 nan 0.000 0.436 360 L N 1.081 122.394 121.223 0.151 0.000 2.612 360 L HA 0.797 5.137 4.340 -0.000 0.000 0.256 360 L C -3.102 173.841 176.870 0.121 0.000 0.949 360 L CA -1.243 53.686 54.840 0.148 0.000 0.867 360 L CB 2.516 44.707 42.059 0.220 0.000 1.417 360 L HN 0.553 nan 8.230 nan 0.000 0.414 361 P HA 0.285 nan 4.420 nan 0.000 0.265 361 P C -1.373 176.027 177.300 0.166 0.000 1.193 361 P CA 0.280 63.447 63.100 0.111 0.000 0.765 361 P CB 0.563 32.283 31.700 0.033 0.000 0.823 362 T N 1.935 116.604 114.554 0.191 0.000 2.952 362 T HA 0.225 4.575 4.350 -0.000 0.000 0.305 362 T C -0.357 174.395 174.700 0.086 0.000 1.064 362 T CA -0.582 61.607 62.100 0.148 0.000 1.008 362 T CB 0.998 69.904 68.868 0.064 0.000 1.078 362 T HN -0.047 nan 8.240 nan 0.000 0.459 363 V N 3.041 122.909 119.914 -0.076 0.000 2.644 363 V HA 0.059 4.178 4.120 -0.000 0.000 0.305 363 V C 0.963 176.964 176.094 -0.156 0.000 1.053 363 V CA 1.072 63.113 62.300 -0.433 0.000 1.186 363 V CB 0.430 31.824 31.823 -0.716 0.000 0.895 363 V HN 1.076 nan 8.190 nan 0.000 0.490 364 H N 3.638 122.545 119.070 -0.272 0.000 3.329 364 H HA 0.289 4.845 4.556 -0.000 0.000 0.234 364 H C -0.451 174.859 175.328 -0.031 0.000 0.957 364 H CA 0.141 56.131 56.048 -0.096 0.000 1.066 364 H CB 0.706 30.497 29.762 0.048 0.000 1.435 364 H HN 0.596 nan 8.280 nan 0.000 0.513 365 Y N 0.457 120.614 120.300 -0.239 0.000 2.558 365 Y HA 0.402 4.952 4.550 -0.000 0.000 0.333 365 Y C -1.920 173.819 175.900 -0.270 0.000 1.125 365 Y CA -1.233 56.696 58.100 -0.285 0.000 1.039 365 Y CB 1.300 39.649 38.460 -0.186 0.000 1.331 365 Y HN 0.020 nan 8.280 nan 0.000 0.456 366 N N 5.681 123.699 118.700 -1.137 0.000 2.469 366 N HA 0.176 4.916 4.740 -0.000 0.000 0.253 366 N C 0.166 175.316 175.510 -0.599 0.000 0.970 366 N CA -0.328 52.269 53.050 -0.754 0.000 0.940 366 N CB 1.770 39.801 38.487 -0.761 0.000 1.128 366 N HN 0.811 nan 8.380 nan 0.000 0.503 367 M N 0.876 120.431 119.600 -0.076 0.000 2.175 367 M HA 0.006 4.486 4.480 -0.000 0.000 0.264 367 M C 1.549 177.922 176.300 0.120 0.000 1.063 367 M CA 0.892 56.299 55.300 0.179 0.000 1.119 367 M CB -0.371 32.372 32.600 0.239 0.000 1.377 367 M HN 0.540 nan 8.290 nan 0.000 0.415 368 G N -1.276 107.592 108.800 0.114 0.000 2.621 368 G HA2 0.529 4.489 3.960 -0.000 0.000 0.271 368 G HA3 0.529 4.489 3.960 -0.000 0.000 0.271 368 G C 0.139 175.075 174.900 0.060 0.000 1.236 368 G CA -0.130 45.037 45.100 0.110 0.000 0.958 368 G HN 0.580 nan 8.290 nan 0.000 0.512 369 G N -1.667 107.150 108.800 0.028 0.000 2.404 369 G HA2 0.296 4.256 3.960 -0.000 0.000 0.253 369 G HA3 0.296 4.256 3.960 -0.000 0.000 0.253 369 G C -1.117 173.746 174.900 -0.063 0.000 1.253 369 G CA -0.810 44.288 45.100 -0.002 0.000 0.917 369 G HN 0.714 nan 8.290 nan 0.000 0.480 370 I N 3.556 124.077 120.570 -0.082 0.000 2.396 370 I HA 0.285 4.455 4.170 -0.000 0.000 0.289 370 I C -1.738 174.300 176.117 -0.131 0.000 1.056 370 I CA -1.591 59.642 61.300 -0.110 0.000 1.365 370 I CB 1.540 39.480 38.000 -0.101 0.000 1.407 370 I HN 0.156 nan 8.210 nan 0.000 0.509 371 P HA 0.087 nan 4.420 nan 0.000 0.271 371 P C -0.472 176.728 177.300 -0.166 0.000 1.216 371 P CA -0.014 62.982 63.100 -0.174 0.000 0.771 371 P CB 0.881 32.474 31.700 -0.178 0.000 0.864 372 T N -0.172 114.273 114.554 -0.180 0.000 2.865 372 T HA 0.541 4.891 4.350 -0.000 0.000 0.294 372 T C -0.038 174.564 174.700 -0.164 0.000 1.119 372 T CA -0.842 61.149 62.100 -0.181 0.000 1.007 372 T CB 1.054 69.806 68.868 -0.192 0.000 1.225 372 T HN 0.401 nan 8.240 nan 0.000 0.515 373 N N -0.207 118.392 118.700 -0.168 0.000 2.538 373 N HA 0.217 4.957 4.740 -0.000 0.000 0.292 373 N C 0.767 176.199 175.510 -0.129 0.000 1.262 373 N CA -0.875 52.100 53.050 -0.125 0.000 0.976 373 N CB -0.310 38.076 38.487 -0.168 0.000 1.161 373 N HN 0.894 nan 8.380 nan 0.000 0.598 374 Y N -2.269 118.002 120.300 -0.048 0.000 2.632 374 Y HA 0.279 4.829 4.550 -0.000 0.000 0.301 374 Y C 0.786 176.673 175.900 -0.022 0.000 1.172 374 Y CA 0.566 58.673 58.100 0.011 0.000 1.328 374 Y CB -0.142 38.339 38.460 0.036 0.000 1.016 374 Y HN 0.363 nan 8.280 nan 0.000 0.529 375 K N 0.365 120.393 120.400 -0.621 0.000 2.404 375 K HA 0.299 4.619 4.320 -0.000 0.000 0.194 375 K C 1.346 177.881 176.600 -0.108 0.000 1.023 375 K CA 0.527 56.540 56.287 -0.457 0.000 1.094 375 K CB 0.295 32.492 32.500 -0.504 0.000 0.841 375 K HN 0.580 nan 8.250 nan 0.000 0.523 376 G N 1.779 110.537 108.800 -0.070 0.000 2.176 376 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.232 376 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.232 376 G C -0.211 174.626 174.900 -0.105 0.000 0.986 376 G CA -0.272 44.843 45.100 0.024 0.000 0.643 376 G HN 0.344 nan 8.290 nan 0.000 0.522 377 Q N 0.498 120.115 119.800 -0.304 0.000 2.304 377 Q HA 0.531 4.871 4.340 -0.000 0.000 0.260 377 Q C 0.508 176.286 176.000 -0.371 0.000 0.965 377 Q CA -0.509 54.940 55.803 -0.591 0.000 0.898 377 Q CB 2.217 30.630 28.738 -0.543 0.000 1.196 377 Q HN 0.173 nan 8.270 nan 0.000 0.402 378 V N 4.716 124.411 119.914 -0.364 0.000 2.655 378 V HA 0.141 4.261 4.120 -0.000 0.000 0.300 378 V C 0.300 176.280 176.094 -0.190 0.000 1.044 378 V CA 0.210 62.373 62.300 -0.227 0.000 1.095 378 V CB 0.006 31.718 31.823 -0.185 0.000 0.952 378 V HN 0.605 nan 8.190 nan 0.000 0.485 379 I N 1.617 122.103 120.570 -0.140 0.000 2.892 379 I HA 0.830 5.000 4.170 -0.000 0.000 0.306 379 I C -0.272 175.812 176.117 -0.055 0.000 1.078 379 I CA -0.423 60.821 61.300 -0.093 0.000 1.032 379 I CB 2.389 40.348 38.000 -0.068 0.000 1.229 379 I HN 0.517 nan 8.210 nan 0.000 0.435 380 T N 0.223 114.770 114.554 -0.012 0.000 2.910 380 T HA 0.504 4.854 4.350 -0.000 0.000 0.287 380 T C -1.512 173.256 174.700 0.114 0.000 1.050 380 T CA -0.356 61.767 62.100 0.039 0.000 1.011 380 T CB 1.088 69.981 68.868 0.042 0.000 1.195 380 T HN 0.800 nan 8.240 nan 0.000 0.540 381 H N 0.529 119.620 119.070 0.035 0.000 2.906 381 H HA 0.640 5.196 4.556 -0.000 0.000 0.324 381 H C -1.478 173.878 175.328 0.046 0.000 0.973 381 H CA -0.339 55.732 56.048 0.038 0.000 1.321 381 H CB 0.689 30.484 29.762 0.056 0.000 1.535 381 H HN 0.364 nan 8.280 nan 0.000 0.518 382 V N 5.089 124.878 119.914 -0.208 0.000 2.487 382 V HA 0.221 4.341 4.120 -0.000 0.000 0.298 382 V C 0.173 176.137 176.094 -0.216 0.000 1.028 382 V CA -1.118 61.092 62.300 -0.150 0.000 0.860 382 V CB 1.435 33.208 31.823 -0.083 0.000 0.991 382 V HN 1.117 nan 8.190 nan 0.000 0.427 383 N N 3.443 122.056 118.700 -0.146 0.000 2.696 383 N HA -0.207 4.533 4.740 -0.000 0.000 0.256 383 N C 1.085 176.485 175.510 -0.184 0.000 1.031 383 N CA 0.455 53.431 53.050 -0.122 0.000 0.730 383 N CB -0.693 37.739 38.487 -0.093 0.000 0.894 383 N HN 1.526 nan 8.380 nan 0.000 0.544 384 G N -0.126 108.532 108.800 -0.238 0.000 2.212 384 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.267 384 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.267 384 G C -0.148 174.518 174.900 -0.390 0.000 1.002 384 G CA 1.236 46.194 45.100 -0.237 0.000 0.729 384 G HN 0.838 nan 8.290 nan 0.000 0.517 385 E N -0.011 119.819 120.200 -0.617 0.000 2.272 385 E HA 0.584 4.934 4.350 -0.000 0.000 0.269 385 E C -1.339 175.061 176.600 -0.333 0.000 0.877 385 E CA -1.297 54.893 56.400 -0.350 0.000 0.755 385 E CB 1.688 31.288 29.700 -0.168 0.000 1.192 385 E HN -0.009 nan 8.360 nan 0.000 0.422 386 D N 2.045 122.447 120.400 0.003 0.000 2.389 386 D HA 0.187 4.827 4.640 -0.000 0.000 0.247 386 D C -0.672 175.632 176.300 0.007 0.000 1.128 386 D CA 0.167 54.241 54.000 0.123 0.000 0.884 386 D CB 1.152 42.041 40.800 0.148 0.000 1.194 386 D HN 0.334 nan 8.370 nan 0.000 0.441 387 K N 1.199 121.597 120.400 -0.003 0.000 2.482 387 K HA 0.340 4.660 4.320 -0.000 0.000 0.251 387 K C -1.072 175.500 176.600 -0.047 0.000 0.936 387 K CA -0.765 55.502 56.287 -0.033 0.000 0.791 387 K CB 1.888 34.364 32.500 -0.041 0.000 1.213 387 K HN 0.106 nan 8.250 nan 0.000 0.428 388 V N 3.382 123.255 119.914 -0.068 0.000 2.740 388 V HA 0.070 4.190 4.120 -0.000 0.000 0.303 388 V C -0.105 175.930 176.094 -0.098 0.000 1.054 388 V CA -0.385 61.851 62.300 -0.106 0.000 1.106 388 V CB 1.439 33.186 31.823 -0.126 0.000 0.957 388 V HN 0.466 nan 8.190 nan 0.000 0.486 389 V N 7.349 127.189 119.914 -0.125 0.000 2.348 389 V HA 0.250 4.370 4.120 -0.000 0.000 0.270 389 V C -2.184 173.841 176.094 -0.115 0.000 1.037 389 V CA -1.833 60.407 62.300 -0.100 0.000 0.872 389 V CB 1.062 32.827 31.823 -0.097 0.000 1.002 389 V HN 0.799 nan 8.190 nan 0.000 0.464 390 P HA 0.142 nan 4.420 nan 0.000 0.262 390 P C 1.047 178.325 177.300 -0.036 0.000 1.182 390 P CA 1.323 64.390 63.100 -0.055 0.000 0.761 390 P CB 0.503 32.187 31.700 -0.027 0.000 0.795 391 G N 1.661 110.457 108.800 -0.008 0.000 2.168 391 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.263 391 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.263 391 G C -0.320 174.626 174.900 0.077 0.000 0.977 391 G CA -0.087 45.054 45.100 0.068 0.000 0.659 391 G HN 0.565 nan 8.290 nan 0.000 0.533 392 L N 0.232 121.420 121.223 -0.058 0.000 2.356 392 L HA 0.861 5.201 4.340 -0.000 0.000 0.277 392 L C -0.623 176.107 176.870 -0.234 0.000 0.996 392 L CA -1.779 53.028 54.840 -0.054 0.000 0.822 392 L CB 1.212 43.221 42.059 -0.084 0.000 1.256 392 L HN 0.137 nan 8.230 nan 0.000 0.413 393 Y N 3.007 123.251 120.300 -0.093 0.000 2.602 393 Y HA 0.889 5.439 4.550 -0.000 0.000 0.342 393 Y C -0.042 175.798 175.900 -0.099 0.000 1.029 393 Y CA -0.729 57.309 58.100 -0.102 0.000 1.080 393 Y CB 2.368 40.761 38.460 -0.112 0.000 1.284 393 Y HN 0.702 nan 8.280 nan 0.000 0.485 394 A N 0.778 123.626 122.820 0.047 0.000 2.547 394 A HA 0.812 5.132 4.320 -0.000 0.000 0.297 394 A C -1.317 176.264 177.584 -0.005 0.000 1.056 394 A CA -0.643 51.388 52.037 -0.009 0.000 0.688 394 A CB 0.474 19.437 19.000 -0.061 0.000 1.282 394 A HN 1.086 nan 8.150 nan 0.000 0.400 395 C N -0.230 119.071 119.300 0.001 0.000 3.288 395 C HA 1.039 5.499 4.460 -0.000 0.000 0.318 395 C C 0.642 175.654 174.990 0.037 0.000 1.356 395 C CA -0.023 59.014 59.018 0.032 0.000 1.359 395 C CB 0.963 28.761 27.740 0.097 0.000 1.688 395 C HN 3.054 nan 8.230 nan 0.000 0.467 396 G N 0.696 109.545 108.800 0.082 0.000 2.627 396 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.214 396 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.214 396 G C 0.293 175.257 174.900 0.107 0.000 1.331 396 G CA 0.590 45.754 45.100 0.107 0.000 0.891 396 G HN 1.390 nan 8.290 nan 0.000 0.539 397 E N -0.131 120.141 120.200 0.120 0.000 2.267 397 E HA 0.022 4.372 4.350 -0.000 0.000 0.197 397 E C 2.632 179.206 176.600 -0.044 0.000 0.998 397 E CA 1.875 58.306 56.400 0.052 0.000 0.830 397 E CB -0.365 29.318 29.700 -0.029 0.000 0.751 397 E HN 1.040 nan 8.360 nan 0.000 0.491 398 A N 0.451 123.261 122.820 -0.018 0.000 2.119 398 A HA 0.242 4.562 4.320 -0.000 0.000 0.217 398 A C 1.128 178.691 177.584 -0.035 0.000 1.153 398 A CA 0.822 52.844 52.037 -0.026 0.000 0.692 398 A CB -0.133 18.848 19.000 -0.032 0.000 0.799 398 A HN 0.317 nan 8.150 nan 0.000 0.458 399 A N -0.870 121.927 122.820 -0.039 0.000 2.281 399 A HA 0.637 4.957 4.320 -0.000 0.000 0.329 399 A C 0.205 177.739 177.584 -0.083 0.000 1.122 399 A CA 0.004 51.994 52.037 -0.078 0.000 0.850 399 A CB 0.796 19.728 19.000 -0.113 0.000 1.207 399 A HN 0.452 nan 8.150 nan 0.000 0.495 400 S N 0.154 115.778 115.700 -0.127 0.000 2.542 400 S HA 0.471 4.941 4.470 -0.000 0.000 0.245 400 S C 0.828 175.298 174.600 -0.217 0.000 1.325 400 S CA 0.053 58.172 58.200 -0.137 0.000 1.176 400 S CB 0.269 63.396 63.200 -0.122 0.000 1.045 400 S HN 1.330 nan 8.310 nan 0.000 0.481 401 A N 3.071 125.718 122.820 -0.288 0.000 1.933 401 A HA 0.117 4.437 4.320 -0.000 0.000 0.218 401 A C 1.386 178.848 177.584 -0.203 0.000 1.175 401 A CA 1.146 52.975 52.037 -0.346 0.000 0.628 401 A CB -0.308 18.287 19.000 -0.674 0.000 0.814 401 A HN 0.780 nan 8.150 nan 0.000 0.444 402 S N -0.343 115.267 115.700 -0.150 0.000 2.438 402 S HA 0.387 4.857 4.470 -0.000 0.000 0.316 402 S C 0.758 175.265 174.600 -0.155 0.000 1.084 402 S CA -0.136 57.969 58.200 -0.157 0.000 1.107 402 S CB 1.266 64.422 63.200 -0.072 0.000 0.981 402 S HN 0.745 nan 8.310 nan 0.000 0.466 403 V N 3.028 122.746 119.914 -0.327 0.000 3.406 403 V HA 0.209 4.329 4.120 -0.000 0.000 0.263 403 V C 1.275 177.186 176.094 -0.304 0.000 1.172 403 V CA 0.633 62.740 62.300 -0.322 0.000 1.140 403 V CB -0.899 30.696 31.823 -0.379 0.000 0.784 403 V HN 0.914 nan 8.190 nan 0.000 0.467 404 H N 0.685 119.750 119.070 -0.008 0.000 2.740 404 H HA 0.427 4.983 4.556 0.000 0.000 0.265 404 H C 1.894 177.184 175.328 -0.063 0.000 0.978 404 H CA 0.335 56.372 56.048 -0.018 0.000 1.198 404 H CB 0.415 30.209 29.762 0.052 0.000 1.467 404 H HN 0.511 nan 8.280 nan 0.000 0.511 405 G N 1.611 110.420 108.800 0.014 0.000 2.685 405 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.329 405 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.329 405 G C 1.278 176.017 174.900 -0.270 0.000 1.271 405 G CA 1.582 46.619 45.100 -0.106 0.000 1.003 405 G HN 0.583 nan 8.290 nan 0.000 0.549 406 A N 0.420 123.025 122.820 -0.360 0.000 2.275 406 A HA 0.475 4.795 4.320 -0.000 0.000 0.212 406 A C 0.869 178.461 177.584 0.012 0.000 1.201 406 A CA 1.439 53.206 52.037 -0.449 0.000 0.843 406 A CB -0.209 18.575 19.000 -0.359 0.000 0.873 406 A HN 1.490 nan 8.150 nan 0.000 0.492 407 N N -0.151 118.556 118.700 0.011 0.000 2.777 407 N HA 0.048 4.788 4.740 -0.000 0.000 0.260 407 N C -1.379 174.139 175.510 0.014 0.000 1.113 407 N CA -0.385 52.695 53.050 0.050 0.000 0.996 407 N CB 1.020 39.532 38.487 0.041 0.000 1.584 407 N HN 0.307 nan 8.380 nan 0.000 0.573 408 R N 3.940 124.430 120.500 -0.016 0.000 2.390 408 R HA 0.388 4.728 4.340 -0.000 0.000 0.291 408 R C -0.175 176.050 176.300 -0.124 0.000 1.070 408 R CA -0.317 55.695 56.100 -0.148 0.000 1.014 408 R CB 0.736 30.699 30.300 -0.561 0.000 1.007 408 R HN 0.499 nan 8.270 nan 0.000 0.466 409 L N 3.563 124.749 121.223 -0.061 0.000 2.349 409 L HA 0.269 4.609 4.340 -0.000 0.000 0.275 409 L C 1.116 177.992 176.870 0.010 0.000 1.115 409 L CA -0.428 54.408 54.840 -0.008 0.000 0.820 409 L CB 1.197 43.295 42.059 0.064 0.000 1.135 409 L HN 0.854 nan 8.230 nan 0.000 0.445 410 G N 2.105 110.973 108.800 0.113 0.000 2.474 410 G HA2 0.233 4.193 3.960 -0.000 0.000 0.233 410 G HA3 0.233 4.193 3.960 -0.000 0.000 0.233 410 G C 0.892 175.844 174.900 0.087 0.000 1.278 410 G CA 0.374 45.656 45.100 0.302 0.000 0.861 410 G HN 1.159 nan 8.290 nan 0.000 0.567 411 A N 1.418 124.171 122.820 -0.111 0.000 3.396 411 A HA -0.204 4.116 4.320 -0.000 0.000 0.267 411 A C 1.742 179.269 177.584 -0.095 0.000 1.139 411 A CA 1.529 53.395 52.037 -0.285 0.000 1.115 411 A CB -1.725 16.847 19.000 -0.713 0.000 1.133 411 A HN 0.656 nan 8.150 nan 0.000 0.920 412 N N -0.552 118.138 118.700 -0.017 0.000 2.353 412 N HA 0.111 4.851 4.740 -0.000 0.000 0.185 412 N C 1.632 177.214 175.510 0.120 0.000 1.098 412 N CA 1.201 54.316 53.050 0.109 0.000 0.872 412 N CB 0.132 38.737 38.487 0.196 0.000 0.970 412 N HN 0.685 nan 8.380 nan 0.000 0.467 413 S N 0.082 115.760 115.700 -0.038 0.000 2.362 413 S HA 0.146 4.616 4.470 -0.000 0.000 0.221 413 S C 1.790 176.448 174.600 0.097 0.000 1.032 413 S CA 0.342 58.541 58.200 -0.001 0.000 0.973 413 S CB -0.096 62.985 63.200 -0.198 0.000 0.849 413 S HN 0.205 nan 8.310 nan 0.000 0.465 414 L N 1.138 122.393 121.223 0.055 0.000 2.131 414 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 414 L C 2.466 179.391 176.870 0.092 0.000 1.092 414 L CA 0.885 55.766 54.840 0.069 0.000 0.759 414 L CB -0.503 41.582 42.059 0.043 0.000 0.903 414 L HN 0.390 nan 8.230 nan 0.000 0.435 415 L N 0.284 121.566 121.223 0.098 0.000 2.027 415 L HA -0.213 4.127 4.340 -0.000 0.000 0.206 415 L C 2.187 179.140 176.870 0.138 0.000 1.074 415 L CA 2.029 56.931 54.840 0.103 0.000 0.745 415 L CB -0.733 41.400 42.059 0.124 0.000 0.898 415 L HN 0.211 nan 8.230 nan 0.000 0.433 416 D N -0.454 120.083 120.400 0.228 0.000 2.133 416 D HA -0.238 4.402 4.640 -0.000 0.000 0.195 416 D C 2.084 178.586 176.300 0.336 0.000 0.997 416 D CA 1.967 56.192 54.000 0.376 0.000 0.840 416 D CB -0.200 40.848 40.800 0.413 0.000 0.947 416 D HN 0.496 nan 8.370 nan 0.000 0.452 417 L N 0.139 121.490 121.223 0.213 0.000 2.017 417 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 417 L C 2.787 179.720 176.870 0.104 0.000 1.073 417 L CA 1.523 56.457 54.840 0.156 0.000 0.745 417 L CB -0.890 41.236 42.059 0.111 0.000 0.894 417 L HN 0.090 nan 8.230 nan 0.000 0.432 418 V N -4.189 115.769 119.914 0.074 0.000 2.591 418 V HA -0.064 4.056 4.120 -0.000 0.000 0.249 418 V C 2.279 178.359 176.094 -0.024 0.000 1.053 418 V CA 0.811 63.126 62.300 0.026 0.000 1.068 418 V CB -0.363 31.487 31.823 0.045 0.000 0.689 418 V HN 0.154 nan 8.190 nan 0.000 0.462 419 V N 0.004 119.886 119.914 -0.054 0.000 2.307 419 V HA -0.123 3.997 4.120 -0.000 0.000 0.245 419 V C 2.385 178.318 176.094 -0.268 0.000 1.045 419 V CA 2.404 64.576 62.300 -0.214 0.000 1.024 419 V CB -0.751 30.842 31.823 -0.382 0.000 0.651 419 V HN 0.513 nan 8.190 nan 0.000 0.449 420 F N 0.807 120.809 119.950 0.087 0.000 2.512 420 F HA 0.189 4.716 4.527 -0.000 0.000 0.296 420 F C 2.258 178.054 175.800 -0.006 0.000 1.110 420 F CA 0.847 58.883 58.000 0.059 0.000 1.446 420 F CB -1.018 38.012 39.000 0.049 0.000 1.092 420 F HN 0.165 nan 8.300 nan 0.000 0.554 421 G N 0.008 108.864 108.800 0.093 0.000 2.404 421 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.215 421 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.215 421 G C 1.809 176.650 174.900 -0.098 0.000 1.174 421 G CA 0.634 45.721 45.100 -0.022 0.000 0.780 421 G HN 0.243 nan 8.290 nan 0.000 0.537 422 R N 0.488 120.930 120.500 -0.096 0.000 2.081 422 R HA 0.051 4.391 4.340 -0.000 0.000 0.235 422 R C 2.859 179.107 176.300 -0.086 0.000 1.131 422 R CA 1.444 57.474 56.100 -0.117 0.000 0.960 422 R CB -0.380 29.869 30.300 -0.086 0.000 0.856 422 R HN 0.276 nan 8.270 nan 0.000 0.436 423 A N 0.417 123.213 122.820 -0.039 0.000 1.902 423 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 423 A C 2.466 180.007 177.584 -0.071 0.000 1.181 423 A CA 1.612 53.623 52.037 -0.043 0.000 0.623 423 A CB -0.961 18.001 19.000 -0.063 0.000 0.818 423 A HN 0.598 nan 8.150 nan 0.000 0.443 424 C N -1.038 118.230 119.300 -0.053 0.000 2.413 424 C HA -0.024 4.436 4.460 -0.000 0.000 0.276 424 C C 3.329 178.100 174.990 -0.366 0.000 1.236 424 C CA 0.918 59.842 59.018 -0.157 0.000 1.735 424 C CB -1.435 26.218 27.740 -0.145 0.000 2.031 424 C HN 0.714 nan 8.230 nan 0.000 0.474 425 A N 0.325 122.961 122.820 -0.307 0.000 1.865 425 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 425 A C 2.135 179.544 177.584 -0.292 0.000 1.191 425 A CA 1.681 53.507 52.037 -0.352 0.000 0.623 425 A CB -0.729 18.099 19.000 -0.286 0.000 0.826 425 A HN 0.613 nan 8.150 nan 0.000 0.444 426 L N -0.786 120.330 121.223 -0.178 0.000 2.012 426 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 426 L C 2.859 179.661 176.870 -0.114 0.000 1.073 426 L CA 1.975 56.751 54.840 -0.108 0.000 0.748 426 L CB -1.069 40.958 42.059 -0.053 0.000 0.891 426 L HN 0.379 nan 8.230 nan 0.000 0.431 427 T N 0.116 114.593 114.554 -0.128 0.000 2.720 427 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 427 T C 1.887 176.522 174.700 -0.108 0.000 1.037 427 T CA 1.464 63.516 62.100 -0.080 0.000 1.144 427 T CB -0.225 68.652 68.868 0.015 0.000 0.864 427 T HN 0.207 nan 8.240 nan 0.000 0.444 428 I N 1.120 121.507 120.570 -0.305 0.000 2.252 428 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 428 I C 2.863 178.836 176.117 -0.239 0.000 1.102 428 I CA 1.055 62.129 61.300 -0.376 0.000 1.385 428 I CB -0.415 37.147 38.000 -0.731 0.000 1.064 428 I HN 0.190 nan 8.210 nan 0.000 0.414 429 A N 0.857 123.537 122.820 -0.233 0.000 2.067 429 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 429 A C 1.998 179.652 177.584 0.118 0.000 1.158 429 A CA 1.536 53.629 52.037 0.094 0.000 0.661 429 A CB -0.581 18.493 19.000 0.123 0.000 0.801 429 A HN 0.663 nan 8.150 nan 0.000 0.452 430 E N -1.783 118.438 120.200 0.035 0.000 2.463 430 E HA 0.112 4.462 4.350 -0.000 0.000 0.193 430 E C 0.703 177.328 176.600 0.042 0.000 1.041 430 E CA 0.724 57.148 56.400 0.041 0.000 0.879 430 E CB 0.033 29.744 29.700 0.017 0.000 0.997 430 E HN 0.291 nan 8.360 nan 0.000 0.478 431 T N -0.456 114.130 114.554 0.053 0.000 2.989 431 T HA 0.208 4.558 4.350 -0.000 0.000 0.250 431 T C 0.226 174.976 174.700 0.083 0.000 0.981 431 T CA 0.168 62.301 62.100 0.056 0.000 0.980 431 T CB 0.464 69.364 68.868 0.054 0.000 1.133 431 T HN 0.230 nan 8.240 nan 0.000 0.489 432 C N 1.316 120.697 119.300 0.136 0.000 3.108 432 C HA 0.730 5.190 4.460 -0.000 0.000 0.321 432 C C -0.963 174.173 174.990 0.243 0.000 1.357 432 C CA -1.309 57.818 59.018 0.183 0.000 1.562 432 C CB 2.058 29.931 27.740 0.221 0.000 2.003 432 C HN 0.312 nan 8.230 nan 0.000 0.460 433 K N 0.636 121.116 120.400 0.133 0.000 2.371 433 K HA 0.532 4.852 4.320 -0.000 0.000 0.251 433 K C -2.950 173.529 176.600 -0.202 0.000 0.934 433 K CA -1.302 54.960 56.287 -0.042 0.000 0.798 433 K CB 1.393 33.868 32.500 -0.040 0.000 1.204 433 K HN 0.308 nan 8.250 nan 0.000 0.427 434 P HA -0.012 nan 4.420 nan 0.000 0.269 434 P C 0.624 177.797 177.300 -0.212 0.000 1.215 434 P CA 0.724 63.481 63.100 -0.571 0.000 0.780 434 P CB 0.583 31.864 31.700 -0.699 0.000 0.898 435 G N 0.351 109.089 108.800 -0.104 0.000 2.234 435 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 435 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 435 G C 0.196 175.083 174.900 -0.022 0.000 0.987 435 G CA -0.121 44.948 45.100 -0.052 0.000 0.625 435 G HN 0.569 nan 8.290 nan 0.000 0.532 436 E N 2.145 122.340 120.200 -0.008 0.000 2.438 436 E HA 0.281 4.631 4.350 -0.000 0.000 0.261 436 E C -1.680 174.932 176.600 0.020 0.000 1.103 436 E CA -0.673 55.734 56.400 0.011 0.000 0.959 436 E CB 0.375 30.094 29.700 0.032 0.000 0.958 436 E HN 0.314 nan 8.360 nan 0.000 0.447 437 P HA -0.074 nan 4.420 nan 0.000 0.266 437 P C -0.427 176.889 177.300 0.027 0.000 1.195 437 P CA 0.116 63.225 63.100 0.016 0.000 0.768 437 P CB 0.583 32.290 31.700 0.010 0.000 0.838 438 V N 5.346 125.275 119.914 0.025 0.000 2.530 438 V HA 0.216 4.336 4.120 -0.000 0.000 0.282 438 V C -1.754 174.359 176.094 0.030 0.000 1.048 438 V CA -1.909 60.413 62.300 0.036 0.000 0.997 438 V CB 0.355 32.198 31.823 0.033 0.000 0.987 438 V HN 0.568 nan 8.190 nan 0.000 0.477 439 P HA 0.148 nan 4.420 nan 0.000 0.269 439 P C -0.394 176.920 177.300 0.024 0.000 1.209 439 P CA 0.004 63.121 63.100 0.029 0.000 0.776 439 P CB 0.672 32.392 31.700 0.034 0.000 0.876 440 S N 1.204 116.914 115.700 0.017 0.000 2.610 440 S HA 0.608 5.078 4.470 -0.000 0.000 0.273 440 S C 0.522 175.130 174.600 0.013 0.000 1.274 440 S CA -0.622 57.585 58.200 0.012 0.000 1.023 440 S CB 0.243 63.447 63.200 0.007 0.000 0.962 440 S HN 0.465 nan 8.310 nan 0.000 0.523 441 I N -1.379 119.198 120.570 0.011 0.000 2.769 441 I HA 0.587 4.757 4.170 -0.000 0.000 0.298 441 I C -0.814 175.307 176.117 0.006 0.000 1.128 441 I CA -1.289 60.017 61.300 0.011 0.000 1.031 441 I CB 1.641 39.651 38.000 0.016 0.000 1.235 441 I HN 0.308 nan 8.210 nan 0.000 0.423 442 K N 4.096 124.499 120.400 0.005 0.000 2.469 442 K HA 0.134 4.454 4.320 -0.000 0.000 0.274 442 K C -1.769 174.832 176.600 0.001 0.000 0.983 442 K CA -0.769 55.519 56.287 0.002 0.000 0.974 442 K CB 0.312 32.814 32.500 0.003 0.000 0.913 442 K HN 0.438 nan 8.250 nan 0.000 0.493 443 P HA -0.188 nan 4.420 nan 0.000 0.218 443 P C 0.158 177.457 177.300 -0.001 0.000 1.146 443 P CA 1.235 64.333 63.100 -0.004 0.000 0.813 443 P CB 0.108 31.806 31.700 -0.005 0.000 0.778 444 N N -1.462 117.239 118.700 0.002 0.000 2.238 444 N HA 0.149 4.889 4.740 -0.000 0.000 0.222 444 N C 0.117 175.631 175.510 0.006 0.000 1.133 444 N CA -0.255 52.798 53.050 0.005 0.000 0.854 444 N CB -0.153 38.337 38.487 0.005 0.000 1.041 444 N HN -0.101 nan 8.380 nan 0.000 0.510 445 A N 0.344 123.168 122.820 0.006 0.000 2.546 445 A HA 0.465 4.785 4.320 -0.000 0.000 0.243 445 A C 1.512 179.103 177.584 0.012 0.000 1.063 445 A CA 0.701 52.743 52.037 0.010 0.000 0.757 445 A CB -0.625 18.382 19.000 0.013 0.000 0.991 445 A HN 0.761 nan 8.150 nan 0.000 0.503 446 G N 1.590 110.398 108.800 0.013 0.000 2.175 446 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.244 446 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.244 446 G C 0.761 175.663 174.900 0.004 0.000 0.982 446 G CA 0.964 46.072 45.100 0.014 0.000 0.641 446 G HN 1.228 nan 8.290 nan 0.000 0.527 447 E N 0.183 120.386 120.200 0.004 0.000 2.153 447 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 447 E C 1.798 178.395 176.600 -0.004 0.000 0.988 447 E CA 1.491 57.892 56.400 0.002 0.000 0.811 447 E CB -0.217 29.489 29.700 0.009 0.000 0.746 447 E HN 0.415 nan 8.360 nan 0.000 0.466 448 E N 1.137 121.337 120.200 -0.001 0.000 2.268 448 E HA -0.067 4.283 4.350 -0.000 0.000 0.195 448 E C 1.713 178.306 176.600 -0.011 0.000 0.995 448 E CA 1.196 57.594 56.400 -0.003 0.000 0.836 448 E CB -0.142 29.559 29.700 0.001 0.000 0.763 448 E HN 0.258 nan 8.360 nan 0.000 0.491 449 S N -0.941 114.752 115.700 -0.012 0.000 2.371 449 S HA -0.062 4.408 4.470 -0.000 0.000 0.224 449 S C 1.910 176.477 174.600 -0.056 0.000 1.029 449 S CA 0.978 59.168 58.200 -0.016 0.000 0.978 449 S CB -0.087 63.115 63.200 0.003 0.000 0.833 449 S HN 0.183 nan 8.310 nan 0.000 0.466 450 V N 2.010 121.877 119.914 -0.079 0.000 2.427 450 V HA -0.105 4.015 4.120 -0.000 0.000 0.248 450 V C 2.580 178.589 176.094 -0.142 0.000 1.051 450 V CA 1.535 63.730 62.300 -0.175 0.000 1.048 450 V CB -1.117 30.607 31.823 -0.165 0.000 0.666 450 V HN 0.516 nan 8.190 nan 0.000 0.456 451 A N 0.741 123.530 122.820 -0.053 0.000 1.930 451 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 451 A C 2.072 179.648 177.584 -0.015 0.000 1.175 451 A CA 2.086 54.118 52.037 -0.009 0.000 0.627 451 A CB -0.781 18.224 19.000 0.008 0.000 0.815 451 A HN 0.637 nan 8.150 nan 0.000 0.443 452 N N -0.077 118.604 118.700 -0.031 0.000 2.188 452 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 452 N C 1.641 177.119 175.510 -0.053 0.000 1.018 452 N CA 1.447 54.477 53.050 -0.032 0.000 0.858 452 N CB -0.369 38.102 38.487 -0.027 0.000 0.989 452 N HN 0.456 nan 8.380 nan 0.000 0.426 453 L N -0.145 121.024 121.223 -0.090 0.000 2.083 453 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 453 L C 1.665 178.468 176.870 -0.112 0.000 1.083 453 L CA 1.897 56.656 54.840 -0.136 0.000 0.752 453 L CB -0.454 41.476 42.059 -0.215 0.000 0.899 453 L HN 0.255 nan 8.230 nan 0.000 0.433 454 D N -0.548 119.819 120.400 -0.055 0.000 2.183 454 D HA -0.227 4.413 4.640 -0.000 0.000 0.203 454 D C 2.230 178.624 176.300 0.157 0.000 0.969 454 D CA 0.956 55.032 54.000 0.128 0.000 0.842 454 D CB 0.097 41.064 40.800 0.278 0.000 0.957 454 D HN 0.173 nan 8.370 nan 0.000 0.484 455 K N -0.126 120.321 120.400 0.078 0.000 2.032 455 K HA -0.116 4.204 4.320 -0.000 0.000 0.209 455 K C 2.035 178.643 176.600 0.015 0.000 1.048 455 K CA 1.000 57.325 56.287 0.063 0.000 0.927 455 K CB -0.060 32.449 32.500 0.014 0.000 0.712 455 K HN 0.225 nan 8.250 nan 0.000 0.441 456 L N 0.039 121.234 121.223 -0.046 0.000 2.156 456 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 456 L C 2.687 179.471 176.870 -0.143 0.000 1.095 456 L CA 0.795 55.584 54.840 -0.085 0.000 0.770 456 L CB -0.460 41.540 42.059 -0.099 0.000 0.914 456 L HN 0.218 nan 8.230 nan 0.000 0.439 457 R N 0.573 120.939 120.500 -0.223 0.000 2.105 457 R HA -0.169 4.171 4.340 -0.000 0.000 0.239 457 R C 1.454 177.368 176.300 -0.643 0.000 1.135 457 R CA 1.762 57.584 56.100 -0.463 0.000 0.967 457 R CB -0.045 29.875 30.300 -0.632 0.000 0.861 457 R HN 0.239 nan 8.270 nan 0.000 0.442 458 F N 0.265 120.212 119.950 -0.005 0.000 2.653 458 F HA 0.408 4.935 4.527 -0.000 0.000 0.304 458 F C 0.559 176.331 175.800 -0.045 0.000 1.092 458 F CA -0.421 57.569 58.000 -0.018 0.000 1.279 458 F CB 0.157 39.156 39.000 -0.003 0.000 1.044 458 F HN -0.028 nan 8.300 nan 0.000 0.564 459 A N 0.595 123.426 122.820 0.018 0.000 2.566 459 A HA 0.089 4.409 4.320 -0.000 0.000 0.245 459 A C 0.521 178.069 177.584 -0.060 0.000 1.056 459 A CA 0.513 52.539 52.037 -0.019 0.000 0.757 459 A CB -0.168 18.798 19.000 -0.057 0.000 0.979 459 A HN 0.246 nan 8.150 nan 0.000 0.508 460 D N 1.710 122.084 120.400 -0.044 0.000 2.895 460 D HA 0.334 4.974 4.640 -0.000 0.000 0.350 460 D C 0.934 177.200 176.300 -0.057 0.000 1.389 460 D CA 0.632 54.586 54.000 -0.076 0.000 0.812 460 D CB -0.126 40.652 40.800 -0.036 0.000 1.164 460 D HN 0.641 nan 8.370 nan 0.000 0.455 461 G N -0.949 107.824 108.800 -0.046 0.000 2.679 461 G HA2 0.118 4.078 3.960 -0.000 0.000 0.202 461 G HA3 0.118 4.078 3.960 -0.000 0.000 0.202 461 G C 0.791 175.684 174.900 -0.011 0.000 1.566 461 G CA 0.406 45.510 45.100 0.006 0.000 1.074 461 G HN 0.187 nan 8.290 nan 0.000 0.564 462 T N -0.144 114.424 114.554 0.024 0.000 2.975 462 T HA 0.300 4.650 4.350 -0.000 0.000 0.261 462 T C 0.500 175.213 174.700 0.021 0.000 0.984 462 T CA -0.054 62.049 62.100 0.005 0.000 0.911 462 T CB 0.051 68.905 68.868 -0.024 0.000 1.127 462 T HN 0.204 nan 8.240 nan 0.000 0.514 463 I N 4.028 124.623 120.570 0.042 0.000 2.390 463 I HA 0.395 4.565 4.170 -0.000 0.000 0.283 463 I C 0.188 176.333 176.117 0.046 0.000 1.016 463 I CA -1.043 60.287 61.300 0.050 0.000 1.151 463 I CB 1.271 39.309 38.000 0.063 0.000 1.293 463 I HN 0.109 nan 8.210 nan 0.000 0.458 464 R N 3.370 123.915 120.500 0.074 0.000 2.641 464 R HA 0.299 4.639 4.340 -0.000 0.000 0.269 464 R C 0.451 176.804 176.300 0.088 0.000 1.074 464 R CA -0.430 55.734 56.100 0.106 0.000 1.133 464 R CB 0.364 30.807 30.300 0.239 0.000 1.029 464 R HN 0.499 nan 8.270 nan 0.000 0.488 465 T N 1.291 115.894 114.554 0.082 0.000 2.624 465 T HA -0.271 4.079 4.350 -0.000 0.000 0.268 465 T C 1.919 176.661 174.700 0.070 0.000 1.041 465 T CA 2.468 64.605 62.100 0.061 0.000 1.159 465 T CB -0.421 68.479 68.868 0.053 0.000 0.863 465 T HN 0.841 nan 8.240 nan 0.000 0.434 466 S N 1.103 116.854 115.700 0.084 0.000 2.419 466 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 466 S C 1.963 176.613 174.600 0.082 0.000 1.016 466 S CA 1.384 59.632 58.200 0.079 0.000 0.974 466 S CB -0.370 62.873 63.200 0.072 0.000 0.786 466 S HN 0.670 nan 8.310 nan 0.000 0.492 467 E N 1.511 121.759 120.200 0.081 0.000 2.072 467 E HA -0.011 4.339 4.350 -0.000 0.000 0.190 467 E C 2.143 178.783 176.600 0.066 0.000 0.982 467 E CA 0.862 57.306 56.400 0.073 0.000 0.803 467 E CB -0.393 29.349 29.700 0.070 0.000 0.755 467 E HN 0.669 nan 8.360 nan 0.000 0.453 468 A N 1.504 124.360 122.820 0.061 0.000 1.968 468 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 468 A C 2.180 179.801 177.584 0.062 0.000 1.169 468 A CA 1.061 53.130 52.037 0.054 0.000 0.638 468 A CB -0.423 18.601 19.000 0.040 0.000 0.812 468 A HN 0.165 nan 8.150 nan 0.000 0.446 469 R N -0.552 119.989 120.500 0.069 0.000 2.066 469 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 469 R C 2.017 178.378 176.300 0.101 0.000 1.131 469 R CA 1.716 57.864 56.100 0.081 0.000 0.955 469 R CB -0.470 29.881 30.300 0.084 0.000 0.851 469 R HN 0.413 nan 8.270 nan 0.000 0.432 470 L N 2.037 123.327 121.223 0.112 0.000 2.042 470 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 470 L C 1.677 178.611 176.870 0.106 0.000 1.076 470 L CA 1.818 56.746 54.840 0.145 0.000 0.749 470 L CB -0.739 41.403 42.059 0.139 0.000 0.893 470 L HN 0.199 nan 8.230 nan 0.000 0.432 471 N N -0.498 118.246 118.700 0.073 0.000 2.069 471 N HA -0.269 4.471 4.740 -0.000 0.000 0.191 471 N C 1.886 177.425 175.510 0.048 0.000 1.031 471 N CA 2.039 55.119 53.050 0.050 0.000 0.852 471 N CB -0.460 38.053 38.487 0.044 0.000 1.018 471 N HN 0.526 nan 8.380 nan 0.000 0.423 472 M N 0.990 120.622 119.600 0.054 0.000 2.086 472 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 472 M C 1.804 178.120 176.300 0.027 0.000 1.067 472 M CA 1.576 56.899 55.300 0.038 0.000 1.116 472 M CB -0.121 32.507 32.600 0.047 0.000 1.348 472 M HN 0.088 nan 8.290 nan 0.000 0.407 473 Q N 0.213 120.058 119.800 0.076 0.000 2.124 473 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 473 Q C 1.991 178.071 176.000 0.134 0.000 0.977 473 Q CA 1.761 57.635 55.803 0.119 0.000 0.850 473 Q CB -0.140 28.746 28.738 0.246 0.000 0.901 473 Q HN 0.589 nan 8.270 nan 0.000 0.429 474 K N -0.245 120.208 120.400 0.090 0.000 2.103 474 K HA -0.050 4.270 4.320 -0.000 0.000 0.204 474 K C 2.187 178.817 176.600 0.050 0.000 1.052 474 K CA 1.381 57.668 56.287 0.000 0.000 0.945 474 K CB 0.016 32.460 32.500 -0.093 0.000 0.722 474 K HN 0.145 nan 8.250 nan 0.000 0.443 475 T N 1.598 116.190 114.554 0.063 0.000 2.674 475 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 475 T C 1.847 176.625 174.700 0.131 0.000 1.039 475 T CA 1.182 63.358 62.100 0.127 0.000 1.150 475 T CB -0.048 68.832 68.868 0.021 0.000 0.864 475 T HN 0.076 nan 8.240 nan 0.000 0.427 476 M N 1.005 120.590 119.600 -0.026 0.000 2.108 476 M HA -0.082 4.398 4.480 -0.000 0.000 0.261 476 M C 2.408 178.709 176.300 0.002 0.000 1.066 476 M CA 1.500 56.694 55.300 -0.177 0.000 1.107 476 M CB -1.289 30.902 32.600 -0.682 0.000 1.356 476 M HN 0.197 nan 8.290 nan 0.000 0.406 477 Q N 0.678 120.541 119.800 0.106 0.000 2.084 477 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 477 Q C 1.942 178.060 176.000 0.198 0.000 0.978 477 Q CA 2.299 58.288 55.803 0.310 0.000 0.844 477 Q CB -0.118 28.802 28.738 0.303 0.000 0.898 477 Q HN 0.609 nan 8.270 nan 0.000 0.426 478 S N -1.867 113.884 115.700 0.086 0.000 2.556 478 S HA 0.067 4.537 4.470 -0.000 0.000 0.216 478 S C 0.978 175.431 174.600 -0.245 0.000 0.970 478 S CA -0.054 58.107 58.200 -0.065 0.000 0.912 478 S CB -0.011 63.107 63.200 -0.137 0.000 0.790 478 S HN 0.439 nan 8.310 nan 0.000 0.504 479 H N 0.373 119.477 119.070 0.057 0.000 3.170 479 H HA 0.533 5.089 4.556 -0.000 0.000 0.264 479 H C 0.427 175.797 175.328 0.070 0.000 1.113 479 H CA 0.523 56.596 56.048 0.040 0.000 1.194 479 H CB 1.131 30.894 29.762 0.002 0.000 1.553 479 H HN 0.500 nan 8.280 nan 0.000 0.538 480 A N 0.932 123.887 122.820 0.224 0.000 3.292 480 A HA 0.634 4.954 4.320 -0.000 0.000 0.231 480 A C 0.451 178.282 177.584 0.411 0.000 0.952 480 A CA 0.058 52.256 52.037 0.269 0.000 1.044 480 A CB -0.231 18.925 19.000 0.259 0.000 1.236 480 A HN 0.242 nan 8.150 nan 0.000 0.525 481 A N -0.372 122.601 122.820 0.255 0.000 2.829 481 A HA 0.668 4.988 4.320 -0.000 0.000 0.248 481 A C 1.486 178.892 177.584 -0.296 0.000 1.654 481 A CA 0.463 52.574 52.037 0.124 0.000 0.860 481 A CB -0.496 18.519 19.000 0.024 0.000 1.696 481 A HN 0.697 nan 8.150 nan 0.000 0.576 482 V N -1.237 118.181 119.914 -0.826 0.000 2.282 482 V HA -0.151 3.969 4.120 -0.000 0.000 0.249 482 V C 0.496 176.215 176.094 -0.624 0.000 1.057 482 V CA 1.555 63.283 62.300 -0.953 0.000 1.032 482 V CB -0.926 30.359 31.823 -0.896 0.000 0.645 482 V HN 0.474 nan 8.190 nan 0.000 0.447 483 F N -0.661 119.161 119.950 -0.214 0.000 2.469 483 F HA 0.687 5.214 4.527 -0.000 0.000 0.332 483 F C 0.443 176.180 175.800 -0.104 0.000 1.103 483 F CA -0.742 57.175 58.000 -0.139 0.000 0.979 483 F CB 1.359 40.289 39.000 -0.117 0.000 1.137 483 F HN -0.138 nan 8.300 nan 0.000 0.463 484 R N 0.499 121.051 120.500 0.086 0.000 2.837 484 R HA 0.786 5.126 4.340 -0.000 0.000 0.271 484 R C -1.085 175.233 176.300 0.030 0.000 0.993 484 R CA -1.029 55.093 56.100 0.037 0.000 0.931 484 R CB 2.470 32.767 30.300 -0.005 0.000 1.206 484 R HN 0.616 nan 8.270 nan 0.000 0.474 485 T N -1.082 113.493 114.554 0.036 0.000 2.894 485 T HA 0.310 4.660 4.350 -0.000 0.000 0.309 485 T C 0.967 175.701 174.700 0.056 0.000 1.208 485 T CA -0.065 62.058 62.100 0.038 0.000 1.016 485 T CB 1.640 70.518 68.868 0.015 0.000 1.192 485 T HN 0.665 nan 8.240 nan 0.000 0.491 486 G N 1.620 110.467 108.800 0.078 0.000 2.513 486 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 486 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 486 G C 1.775 176.709 174.900 0.057 0.000 1.160 486 G CA 1.843 46.994 45.100 0.086 0.000 0.767 486 G HN 0.965 nan 8.290 nan 0.000 0.571 487 S N 0.234 115.963 115.700 0.048 0.000 2.406 487 S HA 0.085 4.555 4.470 -0.000 0.000 0.228 487 S C 2.330 176.968 174.600 0.062 0.000 1.020 487 S CA 0.927 59.153 58.200 0.043 0.000 0.965 487 S CB -0.245 62.975 63.200 0.033 0.000 0.798 487 S HN 0.375 nan 8.310 nan 0.000 0.488 488 I N 1.306 121.924 120.570 0.080 0.000 2.286 488 I HA -0.078 4.092 4.170 -0.000 0.000 0.245 488 I C 2.373 178.611 176.117 0.201 0.000 1.104 488 I CA 0.878 62.275 61.300 0.161 0.000 1.397 488 I CB -0.404 37.647 38.000 0.085 0.000 1.072 488 I HN 0.251 nan 8.210 nan 0.000 0.417 489 L N 0.239 121.519 121.223 0.096 0.000 2.042 489 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 489 L C 2.688 179.523 176.870 -0.059 0.000 1.076 489 L CA 1.629 56.489 54.840 0.032 0.000 0.749 489 L CB -0.641 41.425 42.059 0.012 0.000 0.893 489 L HN 0.315 nan 8.230 nan 0.000 0.432 490 Q N -0.489 119.287 119.800 -0.041 0.000 2.124 490 Q HA -0.265 4.074 4.340 -0.000 0.000 0.202 490 Q C 2.134 178.074 176.000 -0.100 0.000 0.977 490 Q CA 1.681 57.437 55.803 -0.079 0.000 0.850 490 Q CB -0.153 28.572 28.738 -0.022 0.000 0.901 490 Q HN 0.522 nan 8.270 nan 0.000 0.429 491 E N 0.241 120.400 120.200 -0.067 0.000 2.106 491 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 491 E C 2.003 178.400 176.600 -0.339 0.000 0.984 491 E CA 1.024 57.348 56.400 -0.128 0.000 0.806 491 E CB -0.149 29.533 29.700 -0.031 0.000 0.750 491 E HN 0.387 nan 8.360 nan 0.000 0.458 492 G N 0.481 109.010 108.800 -0.450 0.000 2.422 492 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 492 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 492 G C 1.686 176.403 174.900 -0.304 0.000 1.146 492 G CA 0.867 45.638 45.100 -0.550 0.000 0.769 492 G HN 0.388 nan 8.290 nan 0.000 0.547 493 C N 0.299 119.415 119.300 -0.308 0.000 2.429 493 C HA 0.014 4.474 4.460 -0.000 0.000 0.277 493 C C 2.817 177.711 174.990 -0.159 0.000 1.262 493 C CA 0.914 59.679 59.018 -0.420 0.000 1.733 493 C CB -0.415 26.858 27.740 -0.777 0.000 2.010 493 C HN 0.414 nan 8.230 nan 0.000 0.483 494 E N 0.991 121.122 120.200 -0.116 0.000 2.107 494 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 494 E C 2.154 178.739 176.600 -0.025 0.000 0.982 494 E CA 0.870 57.257 56.400 -0.022 0.000 0.809 494 E CB -0.382 29.306 29.700 -0.020 0.000 0.756 494 E HN 0.620 nan 8.360 nan 0.000 0.459 495 K N 0.415 120.758 120.400 -0.094 0.000 2.026 495 K HA -0.048 4.272 4.320 -0.000 0.000 0.208 495 K C 2.311 178.899 176.600 -0.021 0.000 1.048 495 K CA 0.807 57.048 56.287 -0.078 0.000 0.929 495 K CB -0.171 32.229 32.500 -0.166 0.000 0.713 495 K HN 0.110 nan 8.250 nan 0.000 0.439 496 L N 0.630 121.839 121.223 -0.023 0.000 2.093 496 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 496 L C 2.393 179.332 176.870 0.115 0.000 1.085 496 L CA 0.960 55.825 54.840 0.042 0.000 0.755 496 L CB -0.313 41.765 42.059 0.032 0.000 0.904 496 L HN 0.142 nan 8.230 nan 0.000 0.435 497 S N -0.568 115.209 115.700 0.129 0.000 2.368 497 S HA -0.258 4.212 4.470 -0.000 0.000 0.225 497 S C 1.824 176.515 174.600 0.153 0.000 1.030 497 S CA 1.400 59.696 58.200 0.159 0.000 0.999 497 S CB -0.152 63.146 63.200 0.163 0.000 0.844 497 S HN 0.361 nan 8.310 nan 0.000 0.459 498 Q N 1.339 121.200 119.800 0.103 0.000 2.046 498 Q HA 0.057 4.397 4.340 -0.000 0.000 0.200 498 Q C 1.841 177.896 176.000 0.092 0.000 0.975 498 Q CA 1.493 57.347 55.803 0.086 0.000 0.836 498 Q CB -0.519 28.251 28.738 0.054 0.000 0.896 498 Q HN 0.571 nan 8.270 nan 0.000 0.428 499 I N -0.336 120.288 120.570 0.090 0.000 2.226 499 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 499 I C 1.923 178.097 176.117 0.096 0.000 1.100 499 I CA 1.256 62.605 61.300 0.081 0.000 1.374 499 I CB -0.349 37.695 38.000 0.074 0.000 1.057 499 I HN 0.266 nan 8.210 nan 0.000 0.413 500 Y N 1.744 122.056 120.300 0.019 0.000 2.145 500 Y HA -0.237 4.313 4.550 -0.000 0.000 0.286 500 Y C 2.715 178.614 175.900 -0.001 0.000 1.145 500 Y CA 1.613 59.718 58.100 0.008 0.000 1.148 500 Y CB -0.212 38.253 38.460 0.009 0.000 0.981 500 Y HN -0.037 nan 8.280 nan 0.000 0.507 501 R N -0.149 120.408 120.500 0.095 0.000 2.096 501 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 501 R C 1.421 177.679 176.300 -0.070 0.000 1.127 501 R CA 1.483 57.585 56.100 0.004 0.000 0.968 501 R CB -0.342 30.000 30.300 0.069 0.000 0.861 501 R HN 0.355 nan 8.270 nan 0.000 0.440 502 D N 0.685 121.085 120.400 -0.000 0.000 2.371 502 D HA -0.060 4.580 4.640 -0.000 0.000 0.221 502 D C 1.582 177.847 176.300 -0.057 0.000 0.986 502 D CA 0.556 54.590 54.000 0.056 0.000 0.899 502 D CB 0.013 40.886 40.800 0.122 0.000 0.902 502 D HN 0.223 nan 8.370 nan 0.000 0.530 503 L N 0.302 121.424 121.223 -0.168 0.000 2.353 503 L HA -0.107 4.233 4.340 -0.000 0.000 0.220 503 L C 2.277 179.009 176.870 -0.231 0.000 1.133 503 L CA 0.483 55.205 54.840 -0.196 0.000 0.798 503 L CB -0.333 41.539 42.059 -0.312 0.000 0.922 503 L HN -0.002 nan 8.230 nan 0.000 0.445 504 A N -1.030 121.585 122.820 -0.340 0.000 2.067 504 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 504 A C 1.573 178.864 177.584 -0.488 0.000 1.158 504 A CA 1.050 52.825 52.037 -0.438 0.000 0.661 504 A CB -0.489 18.178 19.000 -0.555 0.000 0.801 504 A HN 0.457 nan 8.150 nan 0.000 0.452 505 H N -0.810 118.227 119.070 -0.056 0.000 2.507 505 H HA 0.336 4.892 4.556 -0.000 0.000 0.294 505 H C -0.006 175.293 175.328 -0.048 0.000 1.064 505 H CA -0.418 55.604 56.048 -0.044 0.000 1.138 505 H CB -0.375 29.368 29.762 -0.032 0.000 1.515 505 H HN 0.319 nan 8.280 nan 0.000 0.547 506 L N 1.463 122.677 121.223 -0.014 0.000 2.483 506 L HA 0.028 4.368 4.340 -0.000 0.000 0.276 506 L C 0.733 177.577 176.870 -0.044 0.000 1.213 506 L CA 0.646 55.471 54.840 -0.025 0.000 0.843 506 L CB 0.579 42.606 42.059 -0.053 0.000 1.107 506 L HN 0.065 nan 8.230 nan 0.000 0.487 507 K N 1.824 122.184 120.400 -0.067 0.000 2.507 507 K HA 0.449 4.769 4.320 -0.000 0.000 0.252 507 K C -0.794 175.674 176.600 -0.221 0.000 0.943 507 K CA -0.547 55.636 56.287 -0.174 0.000 0.808 507 K CB 1.530 33.899 32.500 -0.218 0.000 1.142 507 K HN 0.702 nan 8.250 nan 0.000 0.426 508 T N -0.236 114.160 114.554 -0.264 0.000 2.940 508 T HA 0.521 4.871 4.350 -0.000 0.000 0.288 508 T C 0.271 174.768 174.700 -0.339 0.000 1.045 508 T CA -0.606 61.400 62.100 -0.156 0.000 1.018 508 T CB 0.779 69.605 68.868 -0.070 0.000 1.151 508 T HN 0.423 nan 8.240 nan 0.000 0.529 509 F N -1.128 118.813 119.950 -0.015 0.000 2.640 509 F HA 0.362 4.889 4.527 0.000 0.000 0.285 509 F C 0.989 176.783 175.800 -0.009 0.000 1.031 509 F CA -0.557 57.442 58.000 -0.002 0.000 1.240 509 F CB 0.199 39.202 39.000 0.005 0.000 1.011 509 F HN 0.469 nan 8.300 nan 0.000 0.656 510 D N 1.553 122.058 120.400 0.175 0.000 2.371 510 D HA 0.102 4.742 4.640 -0.000 0.000 0.256 510 D C 0.863 177.163 176.300 -0.001 0.000 1.193 510 D CA 0.255 54.303 54.000 0.080 0.000 0.881 510 D CB 0.851 41.684 40.800 0.055 0.000 1.143 510 D HN -0.049 nan 8.370 nan 0.000 0.473 511 R N 2.500 123.006 120.500 0.010 0.000 2.362 511 R HA 0.226 4.566 4.340 -0.000 0.000 0.227 511 R C 0.954 177.235 176.300 -0.032 0.000 0.905 511 R CA -0.341 55.734 56.100 -0.042 0.000 1.067 511 R CB 0.273 30.636 30.300 0.106 0.000 1.078 511 R HN 0.380 nan 8.270 nan 0.000 0.516 512 G N 0.509 109.308 108.800 -0.001 0.000 2.621 512 G HA2 0.235 4.195 3.960 -0.000 0.000 0.271 512 G HA3 0.235 4.195 3.960 -0.000 0.000 0.271 512 G C 0.456 175.355 174.900 -0.001 0.000 1.236 512 G CA -0.352 44.761 45.100 0.022 0.000 0.958 512 G HN 0.141 nan 8.290 nan 0.000 0.512 513 I N -1.568 119.021 120.570 0.033 0.000 4.433 513 I HA 0.235 4.405 4.170 -0.000 0.000 0.322 513 I C 0.645 176.784 176.117 0.036 0.000 1.284 513 I CA 0.072 61.393 61.300 0.036 0.000 1.269 513 I CB 0.812 38.862 38.000 0.085 0.000 1.219 513 I HN 0.131 nan 8.210 nan 0.000 0.436 514 V N 2.486 122.445 119.914 0.075 0.000 2.439 514 V HA 0.028 4.148 4.120 -0.000 0.000 0.271 514 V C -0.344 175.875 176.094 0.207 0.000 1.040 514 V CA -0.086 62.291 62.300 0.127 0.000 1.002 514 V CB -0.774 31.143 31.823 0.157 0.000 1.000 514 V HN 0.610 nan 8.190 nan 0.000 0.477 515 W N 3.878 125.178 121.300 0.000 0.000 6.486 515 W HA -0.219 4.441 4.660 0.000 0.000 0.411 515 W C 0.863 177.372 176.519 -0.016 0.000 1.595 515 W CA 0.471 57.814 57.345 -0.003 0.000 1.075 515 W CB -0.768 28.696 29.460 0.007 0.000 2.798 515 W HN 0.730 nan 8.180 nan 0.000 1.534 516 N N 0.788 119.502 118.700 0.024 0.000 2.719 516 N HA 0.116 4.856 4.740 -0.000 0.000 0.243 516 N C 1.273 176.755 175.510 -0.047 0.000 1.104 516 N CA 0.872 53.926 53.050 0.008 0.000 0.981 516 N CB 0.650 39.112 38.487 -0.043 0.000 1.290 516 N HN 0.214 nan 8.380 nan 0.000 0.513 517 T N -0.820 113.749 114.554 0.025 0.000 3.035 517 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 517 T C 1.273 175.959 174.700 -0.022 0.000 1.109 517 T CA 0.547 62.645 62.100 -0.003 0.000 1.119 517 T CB 0.125 69.054 68.868 0.101 0.000 0.900 517 T HN 0.253 nan 8.240 nan 0.000 0.503 518 D N 1.223 121.621 120.400 -0.004 0.000 2.117 518 D HA -0.064 4.576 4.640 -0.000 0.000 0.198 518 D C 1.899 178.175 176.300 -0.040 0.000 0.982 518 D CA 0.716 54.721 54.000 0.009 0.000 0.828 518 D CB -0.411 40.420 40.800 0.050 0.000 0.967 518 D HN 0.366 nan 8.370 nan 0.000 0.464 519 L N 0.161 121.332 121.223 -0.086 0.000 2.005 519 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 519 L C 2.389 179.128 176.870 -0.217 0.000 1.072 519 L CA 1.379 56.132 54.840 -0.146 0.000 0.744 519 L CB -0.760 41.195 42.059 -0.172 0.000 0.895 519 L HN -0.055 nan 8.230 nan 0.000 0.433 520 V N 0.102 119.848 119.914 -0.281 0.000 2.332 520 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 520 V C 2.515 178.438 176.094 -0.284 0.000 1.055 520 V CA 2.151 64.177 62.300 -0.457 0.000 1.038 520 V CB -0.767 30.786 31.823 -0.450 0.000 0.651 520 V HN 0.531 nan 8.190 nan 0.000 0.450 521 E N -0.386 119.736 120.200 -0.130 0.000 2.268 521 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 521 E C 2.197 178.778 176.600 -0.033 0.000 0.995 521 E CA 1.485 57.860 56.400 -0.041 0.000 0.836 521 E CB -0.150 29.550 29.700 0.000 0.000 0.763 521 E HN 0.625 nan 8.360 nan 0.000 0.491 522 T N 1.094 115.608 114.554 -0.067 0.000 2.896 522 T HA -0.034 4.316 4.350 -0.000 0.000 0.263 522 T C 1.934 176.602 174.700 -0.053 0.000 1.050 522 T CA 0.485 62.556 62.100 -0.049 0.000 1.140 522 T CB -0.045 68.785 68.868 -0.063 0.000 0.877 522 T HN 0.079 nan 8.240 nan 0.000 0.457 523 L N 0.837 121.995 121.223 -0.110 0.000 2.017 523 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 523 L C 2.736 179.647 176.870 0.068 0.000 1.073 523 L CA 1.492 56.292 54.840 -0.066 0.000 0.745 523 L CB -0.530 41.383 42.059 -0.243 0.000 0.894 523 L HN 0.308 nan 8.230 nan 0.000 0.432 524 E N -0.186 120.066 120.200 0.086 0.000 2.153 524 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 524 E C 2.063 178.723 176.600 0.099 0.000 0.988 524 E CA 1.080 57.580 56.400 0.166 0.000 0.811 524 E CB -0.158 29.644 29.700 0.170 0.000 0.746 524 E HN 0.272 nan 8.360 nan 0.000 0.466 525 L N 1.284 122.543 121.223 0.061 0.000 2.046 525 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 525 L C 2.060 178.964 176.870 0.057 0.000 1.077 525 L CA 1.780 56.653 54.840 0.055 0.000 0.747 525 L CB -0.295 41.786 42.059 0.036 0.000 0.896 525 L HN 0.045 nan 8.230 nan 0.000 0.432 526 Q N -0.581 119.247 119.800 0.046 0.000 2.084 526 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 526 Q C 1.938 177.988 176.000 0.083 0.000 0.978 526 Q CA 1.663 57.501 55.803 0.059 0.000 0.844 526 Q CB -0.210 28.549 28.738 0.036 0.000 0.898 526 Q HN 0.602 nan 8.270 nan 0.000 0.426 527 N N 0.678 119.422 118.700 0.073 0.000 2.080 527 N HA -0.115 4.625 4.740 -0.000 0.000 0.189 527 N C 1.895 177.412 175.510 0.011 0.000 1.036 527 N CA 0.951 54.028 53.050 0.044 0.000 0.846 527 N CB -0.399 38.127 38.487 0.066 0.000 1.015 527 N HN 0.172 nan 8.380 nan 0.000 0.423 528 L N 0.485 121.733 121.223 0.041 0.000 2.013 528 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 528 L C 2.365 179.241 176.870 0.010 0.000 1.073 528 L CA 1.057 55.918 54.840 0.035 0.000 0.753 528 L CB -0.320 41.783 42.059 0.074 0.000 0.890 528 L HN 0.168 nan 8.230 nan 0.000 0.432 529 M N -0.809 118.824 119.600 0.055 0.000 2.159 529 M HA -0.185 4.295 4.480 -0.000 0.000 0.263 529 M C 2.327 178.644 176.300 0.027 0.000 1.063 529 M CA 1.722 57.077 55.300 0.092 0.000 1.110 529 M CB -0.864 31.872 32.600 0.228 0.000 1.374 529 M HN 0.274 nan 8.290 nan 0.000 0.411 530 L N -1.210 120.014 121.223 0.002 0.000 2.093 530 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 530 L C 2.572 179.338 176.870 -0.174 0.000 1.085 530 L CA 0.819 55.601 54.840 -0.097 0.000 0.755 530 L CB -0.601 41.417 42.059 -0.068 0.000 0.904 530 L HN 0.326 nan 8.230 nan 0.000 0.435 531 C N -0.366 118.789 119.300 -0.241 0.000 2.453 531 C HA -0.087 4.373 4.460 -0.000 0.000 0.277 531 C C 3.145 177.950 174.990 -0.310 0.000 1.262 531 C CA 0.660 59.385 59.018 -0.489 0.000 1.718 531 C CB -0.957 26.227 27.740 -0.926 0.000 2.031 531 C HN 0.610 nan 8.230 nan 0.000 0.480 532 A N 0.478 123.212 122.820 -0.142 0.000 1.908 532 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 532 A C 2.131 179.707 177.584 -0.014 0.000 1.181 532 A CA 1.545 53.561 52.037 -0.035 0.000 0.627 532 A CB -0.704 18.284 19.000 -0.019 0.000 0.818 532 A HN 0.610 nan 8.150 nan 0.000 0.445 533 L N -0.940 120.270 121.223 -0.021 0.000 1.989 533 L HA -0.309 4.031 4.340 -0.000 0.000 0.211 533 L C 2.978 179.921 176.870 0.122 0.000 1.071 533 L CA 1.996 56.871 54.840 0.059 0.000 0.749 533 L CB -0.635 41.376 42.059 -0.081 0.000 0.890 533 L HN 0.502 nan 8.230 nan 0.000 0.431 534 Q N -0.991 118.803 119.800 -0.009 0.000 2.124 534 Q HA -0.185 4.154 4.340 -0.000 0.000 0.202 534 Q C 2.157 178.176 176.000 0.032 0.000 0.977 534 Q CA 2.051 57.850 55.803 -0.007 0.000 0.850 534 Q CB -0.213 28.466 28.738 -0.098 0.000 0.901 534 Q HN 0.507 nan 8.270 nan 0.000 0.429 535 T N 1.151 115.719 114.554 0.023 0.000 2.674 535 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 535 T C 1.790 176.512 174.700 0.037 0.000 1.039 535 T CA 1.102 63.239 62.100 0.063 0.000 1.150 535 T CB -0.192 68.765 68.868 0.149 0.000 0.864 535 T HN 0.247 nan 8.240 nan 0.000 0.427 536 I N -0.615 119.971 120.570 0.027 0.000 2.353 536 I HA -0.094 4.076 4.170 -0.000 0.000 0.248 536 I C 1.930 177.975 176.117 -0.120 0.000 1.119 536 I CA 1.137 62.411 61.300 -0.044 0.000 1.417 536 I CB 0.011 37.956 38.000 -0.091 0.000 1.078 536 I HN 0.239 nan 8.210 nan 0.000 0.421 537 Y N 0.543 120.827 120.300 -0.028 0.000 2.200 537 Y HA -0.115 4.435 4.550 -0.000 0.000 0.290 537 Y C 2.531 178.418 175.900 -0.021 0.000 1.137 537 Y CA 1.661 59.748 58.100 -0.021 0.000 1.163 537 Y CB -0.949 37.494 38.460 -0.029 0.000 0.988 537 Y HN 0.177 nan 8.280 nan 0.000 0.518 538 G N -0.458 108.405 108.800 0.105 0.000 2.440 538 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 538 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 538 G C 1.903 176.745 174.900 -0.098 0.000 1.154 538 G CA 1.039 46.154 45.100 0.026 0.000 0.767 538 G HN 0.473 nan 8.290 nan 0.000 0.552 539 A N 0.511 123.251 122.820 -0.133 0.000 1.902 539 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 539 A C 2.212 179.766 177.584 -0.051 0.000 1.181 539 A CA 2.079 54.016 52.037 -0.168 0.000 0.623 539 A CB -0.435 18.566 19.000 0.001 0.000 0.818 539 A HN 0.345 nan 8.150 nan 0.000 0.443 540 E N 0.387 120.559 120.200 -0.046 0.000 2.153 540 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 540 E C 2.057 178.630 176.600 -0.045 0.000 0.988 540 E CA 1.309 57.687 56.400 -0.036 0.000 0.811 540 E CB -0.279 29.372 29.700 -0.081 0.000 0.746 540 E HN 0.488 nan 8.360 nan 0.000 0.466 541 A N 0.974 123.773 122.820 -0.035 0.000 1.970 541 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 541 A C 1.827 179.210 177.584 -0.336 0.000 1.170 541 A CA 0.323 52.354 52.037 -0.010 0.000 0.645 541 A CB -0.268 18.849 19.000 0.195 0.000 0.816 541 A HN 0.093 nan 8.150 nan 0.000 0.447 542 R N 1.304 121.486 120.500 -0.531 0.000 2.387 542 R HA 0.121 4.461 4.340 -0.000 0.000 0.321 542 R C -0.844 174.933 176.300 -0.872 0.000 1.174 542 R CA 0.094 55.522 56.100 -1.121 0.000 1.002 542 R CB -0.228 29.606 30.300 -0.776 0.000 1.028 542 R HN 0.201 nan 8.270 nan 0.000 0.482 543 K N 4.863 124.504 120.400 -1.265 0.000 2.333 543 K HA 0.057 4.377 4.320 -0.000 0.000 0.241 543 K C -0.774 175.378 176.600 -0.745 0.000 1.193 543 K CA -0.137 55.538 56.287 -1.020 0.000 1.142 543 K CB 0.278 32.001 32.500 -1.296 0.000 1.731 543 K HN 0.685 nan 8.250 nan 0.000 0.344 544 E N -1.586 118.394 120.200 -0.366 0.000 2.432 544 E HA 0.316 4.666 4.350 -0.000 0.000 0.279 544 E C -1.343 175.282 176.600 0.041 0.000 1.099 544 E CA -1.071 55.300 56.400 -0.049 0.000 0.859 544 E CB 0.912 30.602 29.700 -0.017 0.000 1.402 544 E HN -0.072 nan 8.360 nan 0.000 0.451 545 S N 0.124 115.890 115.700 0.109 0.000 2.478 545 S HA 0.632 5.102 4.470 -0.000 0.000 0.312 545 S C -0.951 173.768 174.600 0.199 0.000 1.094 545 S CA -0.757 57.504 58.200 0.102 0.000 1.081 545 S CB 0.994 64.246 63.200 0.086 0.000 1.007 545 S HN 0.477 nan 8.310 nan 0.000 0.475 546 R N 1.916 122.588 120.500 0.288 0.000 2.522 546 R HA 0.532 4.872 4.340 -0.000 0.000 0.283 546 R C 0.729 177.259 176.300 0.383 0.000 1.074 546 R CA 0.266 56.566 56.100 0.335 0.000 0.925 546 R CB 0.809 31.344 30.300 0.391 0.000 1.205 546 R HN 0.888 nan 8.270 nan 0.000 0.436 547 G N 2.587 111.543 108.800 0.261 0.000 2.672 547 G HA2 -0.478 3.482 3.960 -0.000 0.000 0.324 547 G HA3 -0.478 3.482 3.960 -0.000 0.000 0.324 547 G C 0.832 175.875 174.900 0.238 0.000 1.286 547 G CA 0.760 45.995 45.100 0.225 0.000 1.004 547 G HN 0.899 nan 8.290 nan 0.000 0.548 548 A N -0.522 122.481 122.820 0.306 0.000 2.121 548 A HA 0.218 4.538 4.320 -0.000 0.000 0.218 548 A C 1.244 178.973 177.584 0.241 0.000 1.154 548 A CA 2.115 54.310 52.037 0.264 0.000 0.679 548 A CB -0.368 18.817 19.000 0.307 0.000 0.795 548 A HN 1.430 nan 8.150 nan 0.000 0.458 549 H N -0.013 119.147 119.070 0.150 0.000 2.705 549 H HA 0.606 5.162 4.556 -0.000 0.000 0.291 549 H C -0.355 174.981 175.328 0.012 0.000 1.085 549 H CA -0.238 55.794 56.048 -0.027 0.000 1.357 549 H CB 0.454 30.044 29.762 -0.286 0.000 1.419 549 H HN 0.190 nan 8.280 nan 0.000 0.462 550 A N 6.465 129.113 122.820 -0.287 0.000 2.304 550 A HA 0.560 4.880 4.320 -0.000 0.000 0.314 550 A C -0.492 176.958 177.584 -0.224 0.000 1.187 550 A CA -0.989 50.927 52.037 -0.201 0.000 0.810 550 A CB 0.640 19.535 19.000 -0.175 0.000 1.183 550 A HN 0.679 nan 8.150 nan 0.000 0.487 551 R N 2.184 122.586 120.500 -0.163 0.000 2.295 551 R HA 0.269 4.609 4.340 -0.000 0.000 0.324 551 R C -0.059 176.264 176.300 0.038 0.000 0.968 551 R CA -0.303 55.753 56.100 -0.072 0.000 0.837 551 R CB 1.445 31.734 30.300 -0.019 0.000 1.133 551 R HN 0.888 nan 8.270 nan 0.000 0.450 552 E N 0.873 121.096 120.200 0.039 0.000 2.482 552 E HA -0.113 4.237 4.350 -0.000 0.000 0.196 552 E C 0.261 176.827 176.600 -0.055 0.000 1.047 552 E CA 0.723 57.122 56.400 -0.002 0.000 0.869 552 E CB 0.412 30.082 29.700 -0.051 0.000 0.836 552 E HN 0.523 nan 8.360 nan 0.000 0.520 553 D N -0.793 119.567 120.400 -0.068 0.000 2.367 553 D HA -0.094 4.546 4.640 -0.000 0.000 0.207 553 D C -0.059 175.936 176.300 -0.509 0.000 1.034 553 D CA 0.169 54.024 54.000 -0.242 0.000 0.861 553 D CB -0.036 40.635 40.800 -0.215 0.000 0.943 553 D HN 0.166 nan 8.370 nan 0.000 0.515 554 Y N 0.529 120.820 120.300 -0.015 0.000 2.513 554 Y HA 0.322 4.872 4.550 -0.000 0.000 0.341 554 Y C 0.822 176.724 175.900 0.003 0.000 1.075 554 Y CA -0.730 57.368 58.100 -0.003 0.000 1.190 554 Y CB 1.273 39.719 38.460 -0.024 0.000 1.111 554 Y HN -0.291 nan 8.280 nan 0.000 0.644 555 K N 0.846 121.305 120.400 0.099 0.000 2.365 555 K HA 0.084 4.404 4.320 -0.000 0.000 0.199 555 K C 0.082 176.751 176.600 0.115 0.000 1.045 555 K CA 0.695 57.038 56.287 0.093 0.000 0.962 555 K CB 0.396 32.933 32.500 0.060 0.000 0.759 555 K HN 0.418 nan 8.250 nan 0.000 0.469 556 L N 0.880 122.184 121.223 0.136 0.000 2.344 556 L HA 0.350 4.690 4.340 -0.000 0.000 0.272 556 L C 0.302 177.271 176.870 0.164 0.000 1.035 556 L CA -1.064 53.859 54.840 0.140 0.000 0.807 556 L CB 1.172 43.309 42.059 0.131 0.000 1.237 556 L HN -0.032 nan 8.230 nan 0.000 0.442 557 R N 2.073 122.672 120.500 0.166 0.000 2.298 557 R HA 0.432 4.772 4.340 -0.000 0.000 0.310 557 R C -0.942 175.480 176.300 0.202 0.000 1.068 557 R CA -0.296 55.920 56.100 0.194 0.000 0.957 557 R CB 0.445 30.860 30.300 0.191 0.000 1.003 557 R HN 0.554 nan 8.270 nan 0.000 0.454 558 I N 5.266 125.985 120.570 0.249 0.000 2.337 558 I HA 0.170 4.340 4.170 -0.000 0.000 0.285 558 I C -0.324 175.936 176.117 0.240 0.000 1.041 558 I CA -0.541 60.910 61.300 0.251 0.000 1.199 558 I CB 1.180 39.377 38.000 0.329 0.000 1.370 558 I HN 0.530 nan 8.210 nan 0.000 0.470 559 D N 4.851 125.350 120.400 0.164 0.000 2.529 559 D HA 0.089 4.729 4.640 -0.000 0.000 0.273 559 D C 1.277 177.464 176.300 -0.188 0.000 1.197 559 D CA -0.349 53.701 54.000 0.083 0.000 1.070 559 D CB 0.861 41.804 40.800 0.238 0.000 1.134 559 D HN 0.503 nan 8.370 nan 0.000 0.590 560 E N 0.005 119.885 120.200 -0.534 0.000 2.347 560 E HA -0.099 4.250 4.350 -0.000 0.000 0.196 560 E C 0.012 176.177 176.600 -0.725 0.000 1.008 560 E CA 0.914 56.788 56.400 -0.877 0.000 0.852 560 E CB 0.064 29.234 29.700 -0.884 0.000 0.783 560 E HN 0.349 nan 8.360 nan 0.000 0.505 561 F N 0.110 119.907 119.950 -0.255 0.000 2.650 561 F HA 0.264 4.791 4.527 -0.000 0.000 0.320 561 F C -0.195 175.410 175.800 -0.324 0.000 1.091 561 F CA -1.394 56.366 58.000 -0.399 0.000 0.962 561 F CB 1.522 40.028 39.000 -0.823 0.000 1.363 561 F HN -0.281 nan 8.300 nan 0.000 0.482 562 D N 0.709 121.084 120.400 -0.043 0.000 2.456 562 D HA 0.112 4.752 4.640 -0.000 0.000 0.219 562 D C -0.073 176.176 176.300 -0.085 0.000 1.126 562 D CA -0.017 53.974 54.000 -0.015 0.000 0.890 562 D CB 0.117 40.919 40.800 0.004 0.000 1.025 562 D HN 0.391 nan 8.370 nan 0.000 0.511 563 Y N 1.289 121.589 120.300 -0.001 0.000 2.553 563 Y HA -0.068 4.482 4.550 -0.000 0.000 0.303 563 Y C 2.372 178.228 175.900 -0.073 0.000 1.194 563 Y CA 0.382 58.442 58.100 -0.066 0.000 1.305 563 Y CB 0.111 38.485 38.460 -0.144 0.000 1.045 563 Y HN 0.373 nan 8.280 nan 0.000 0.514 564 S N -1.506 114.236 115.700 0.070 0.000 2.548 564 S HA 0.163 4.633 4.470 -0.000 0.000 0.215 564 S C 0.453 175.058 174.600 0.008 0.000 0.976 564 S CA -0.244 57.978 58.200 0.037 0.000 0.908 564 S CB 0.137 63.360 63.200 0.039 0.000 0.781 564 S HN 0.179 nan 8.310 nan 0.000 0.519 565 K N 1.052 121.443 120.400 -0.016 0.000 2.352 565 K HA 0.585 4.905 4.320 -0.000 0.000 0.240 565 K C -3.182 173.375 176.600 -0.073 0.000 1.017 565 K CA -2.605 53.660 56.287 -0.037 0.000 0.851 565 K CB 0.798 33.277 32.500 -0.035 0.000 1.261 565 K HN -0.061 nan 8.250 nan 0.000 0.451 566 P HA 0.096 nan 4.420 nan 0.000 0.271 566 P C 0.149 177.351 177.300 -0.164 0.000 1.216 566 P CA -0.022 63.017 63.100 -0.102 0.000 0.771 566 P CB 0.490 32.145 31.700 -0.075 0.000 0.864 567 L N 0.526 121.604 121.223 -0.241 0.000 2.291 567 L HA -0.077 4.263 4.340 -0.000 0.000 0.214 567 L C 1.233 177.930 176.870 -0.288 0.000 1.120 567 L CA 0.594 55.195 54.840 -0.399 0.000 0.799 567 L CB -0.474 41.230 42.059 -0.592 0.000 0.925 567 L HN 0.446 nan 8.230 nan 0.000 0.446 568 Q N 1.317 121.008 119.800 -0.182 0.000 2.264 568 Q HA 0.081 4.421 4.340 -0.000 0.000 0.296 568 Q C 1.043 176.989 176.000 -0.091 0.000 1.103 568 Q CA 1.072 56.803 55.803 -0.120 0.000 0.967 568 Q CB 0.002 28.689 28.738 -0.084 0.000 1.090 568 Q HN 0.387 nan 8.270 nan 0.000 0.379 569 G N 3.033 111.790 108.800 -0.072 0.000 2.179 569 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 569 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 569 G C -0.009 174.880 174.900 -0.018 0.000 0.977 569 G CA 0.315 45.394 45.100 -0.036 0.000 0.641 569 G HN 0.624 nan 8.290 nan 0.000 0.533 570 Q N -0.348 119.431 119.800 -0.035 0.000 2.394 570 Q HA 0.445 4.785 4.340 -0.000 0.000 0.248 570 Q C 0.201 176.290 176.000 0.148 0.000 0.992 570 Q CA -0.103 55.724 55.803 0.039 0.000 0.888 570 Q CB 0.822 29.570 28.738 0.016 0.000 1.257 570 Q HN 0.292 nan 8.270 nan 0.000 0.462 571 Q N 2.467 122.351 119.800 0.140 0.000 2.360 571 Q HA 0.135 4.475 4.340 -0.000 0.000 0.254 571 Q C -1.159 174.882 176.000 0.067 0.000 0.975 571 Q CA -0.157 55.711 55.803 0.109 0.000 0.912 571 Q CB 0.776 29.540 28.738 0.044 0.000 1.212 571 Q HN 0.303 nan 8.270 nan 0.000 0.452 572 K N 3.615 124.028 120.400 0.021 0.000 2.484 572 K HA 0.071 4.391 4.320 -0.000 0.000 0.280 572 K C -0.544 175.887 176.600 -0.281 0.000 1.013 572 K CA 0.030 56.043 56.287 -0.456 0.000 1.029 572 K CB 0.495 32.743 32.500 -0.419 0.000 0.902 572 K HN 0.635 nan 8.250 nan 0.000 0.481 573 R N 4.842 125.142 120.500 -0.333 0.000 2.390 573 R HA 0.183 4.523 4.340 -0.000 0.000 0.291 573 R C -2.207 174.087 176.300 -0.009 0.000 1.070 573 R CA -1.818 54.210 56.100 -0.121 0.000 1.014 573 R CB 0.404 30.660 30.300 -0.073 0.000 1.007 573 R HN 0.502 nan 8.270 nan 0.000 0.466 574 P HA -0.089 nan 4.420 nan 0.000 0.268 574 P C 0.131 177.471 177.300 0.066 0.000 1.208 574 P CA -0.060 63.066 63.100 0.044 0.000 0.777 574 P CB 0.365 32.066 31.700 0.002 0.000 0.875 575 F N 2.516 122.416 119.950 -0.083 0.000 2.115 575 F HA -0.259 4.268 4.527 -0.000 0.000 0.300 575 F C 1.585 177.088 175.800 -0.494 0.000 1.092 575 F CA 1.933 59.781 58.000 -0.254 0.000 1.245 575 F CB -0.322 38.604 39.000 -0.122 0.000 0.995 575 F HN 0.344 nan 8.300 nan 0.000 0.481 576 E N -0.117 119.928 120.200 -0.258 0.000 2.478 576 E HA -0.096 4.254 4.350 -0.000 0.000 0.198 576 E C 1.320 177.621 176.600 -0.497 0.000 1.046 576 E CA 0.834 56.991 56.400 -0.405 0.000 0.870 576 E CB -0.245 29.357 29.700 -0.164 0.000 0.818 576 E HN 0.561 nan 8.360 nan 0.000 0.527 577 E N -0.635 119.312 120.200 -0.420 0.000 2.538 577 E HA 0.088 4.438 4.350 -0.000 0.000 0.207 577 E C -0.285 176.120 176.600 -0.325 0.000 1.002 577 E CA -0.089 56.118 56.400 -0.322 0.000 0.952 577 E CB 0.255 29.873 29.700 -0.136 0.000 1.031 577 E HN 0.441 nan 8.360 nan 0.000 0.476 578 H N -4.517 114.232 119.070 -0.535 0.000 2.931 578 H HA 0.372 4.928 4.556 -0.000 0.000 0.331 578 H C -0.653 174.217 175.328 -0.763 0.000 1.273 578 H CA -1.160 54.616 56.048 -0.454 0.000 1.171 578 H CB 0.245 29.867 29.762 -0.233 0.000 1.898 578 H HN -0.047 nan 8.280 nan 0.000 0.562 579 W N -0.627 120.665 121.300 -0.014 0.000 2.862 579 W HA 0.358 5.018 4.660 0.000 0.000 0.376 579 W C 0.503 177.040 176.519 0.030 0.000 1.028 579 W CA -0.525 56.757 57.345 -0.105 0.000 1.757 579 W CB 0.886 30.318 29.460 -0.046 0.000 1.128 579 W HN 0.370 nan 8.180 nan 0.000 0.566 580 R N 3.496 124.230 120.500 0.390 0.000 2.893 580 R HA 0.110 4.450 4.340 -0.000 0.000 0.243 580 R C -0.193 176.212 176.300 0.175 0.000 1.481 580 R CA 0.432 56.691 56.100 0.265 0.000 1.250 580 R CB -0.815 29.613 30.300 0.214 0.000 1.213 580 R HN 0.012 nan 8.270 nan 0.000 0.609 581 K N 0.886 121.336 120.400 0.084 0.000 2.587 581 K HA 0.222 4.542 4.320 -0.000 0.000 0.276 581 K C -1.335 175.352 176.600 0.143 0.000 0.956 581 K CA -1.042 55.283 56.287 0.063 0.000 0.857 581 K CB 0.940 33.381 32.500 -0.098 0.000 1.431 581 K HN 0.170 nan 8.250 nan 0.000 0.420 582 H N 1.008 120.229 119.070 0.251 0.000 2.652 582 H HA 0.177 4.733 4.556 -0.000 0.000 0.349 582 H C -0.268 175.244 175.328 0.307 0.000 1.099 582 H CA 0.071 56.254 56.048 0.226 0.000 1.417 582 H CB 1.455 31.280 29.762 0.106 0.000 1.457 582 H HN 0.500 nan 8.280 nan 0.000 0.568 583 T N 4.468 119.273 114.554 0.418 0.000 2.856 583 T HA 0.353 4.703 4.350 -0.000 0.000 0.292 583 T C 0.674 175.369 174.700 -0.009 0.000 0.980 583 T CA -0.574 61.641 62.100 0.191 0.000 1.091 583 T CB 0.430 69.436 68.868 0.231 0.000 0.936 583 T HN 0.227 nan 8.240 nan 0.000 0.503 584 L N 3.347 124.453 121.223 -0.196 0.000 2.341 584 L HA 0.586 4.926 4.340 -0.000 0.000 0.278 584 L C 0.245 176.962 176.870 -0.255 0.000 1.005 584 L CA -0.743 53.969 54.840 -0.213 0.000 0.818 584 L CB 1.780 43.746 42.059 -0.156 0.000 1.259 584 L HN 0.717 nan 8.230 nan 0.000 0.418 585 S N 1.470 116.970 115.700 -0.333 0.000 2.536 585 S HA 0.808 5.278 4.470 -0.000 0.000 0.298 585 S C -1.203 173.142 174.600 -0.424 0.000 1.083 585 S CA -0.729 57.328 58.200 -0.239 0.000 0.995 585 S CB 1.739 64.856 63.200 -0.137 0.000 1.058 585 S HN 0.364 nan 8.310 nan 0.000 0.488 586 Y N -0.272 119.962 120.300 -0.109 0.000 2.553 586 Y HA 0.716 5.266 4.550 -0.000 0.000 0.347 586 Y C -0.603 175.217 175.900 -0.133 0.000 1.019 586 Y CA -1.129 56.908 58.100 -0.106 0.000 1.032 586 Y CB 2.186 40.592 38.460 -0.089 0.000 1.284 586 Y HN 0.632 nan 8.280 nan 0.000 0.466 587 V N 1.391 121.324 119.914 0.032 0.000 2.760 587 V HA 0.245 4.365 4.120 -0.000 0.000 0.309 587 V C -0.982 175.084 176.094 -0.047 0.000 1.077 587 V CA -1.117 61.139 62.300 -0.073 0.000 0.910 587 V CB 2.079 33.811 31.823 -0.152 0.000 1.008 587 V HN 0.811 nan 8.190 nan 0.000 0.424 588 D N 3.222 123.578 120.400 -0.072 0.000 2.365 588 D HA 0.181 4.821 4.640 -0.000 0.000 0.237 588 D C 0.896 177.180 176.300 -0.027 0.000 1.190 588 D CA -0.142 53.834 54.000 -0.040 0.000 0.867 588 D CB 2.046 42.819 40.800 -0.046 0.000 1.050 588 D HN 0.283 nan 8.370 nan 0.000 0.491 589 V N 4.958 124.878 119.914 0.010 0.000 2.594 589 V HA -0.212 3.908 4.120 -0.000 0.000 0.253 589 V C 2.440 178.628 176.094 0.156 0.000 1.069 589 V CA 1.512 63.858 62.300 0.077 0.000 1.082 589 V CB -0.279 31.586 31.823 0.069 0.000 0.680 589 V HN 0.547 nan 8.190 nan 0.000 0.469 590 K N 0.328 120.781 120.400 0.088 0.000 2.116 590 K HA -0.084 4.236 4.320 -0.000 0.000 0.203 590 K C 2.339 179.008 176.600 0.115 0.000 1.052 590 K CA 1.604 57.939 56.287 0.081 0.000 0.952 590 K CB -0.124 32.396 32.500 0.033 0.000 0.729 590 K HN 0.647 nan 8.250 nan 0.000 0.446 591 S N -1.357 114.398 115.700 0.092 0.000 2.475 591 S HA 0.134 4.604 4.470 -0.000 0.000 0.224 591 S C 1.528 176.193 174.600 0.109 0.000 1.042 591 S CA 0.489 58.738 58.200 0.082 0.000 0.935 591 S CB 0.642 63.852 63.200 0.016 0.000 0.801 591 S HN 0.380 nan 8.310 nan 0.000 0.509 592 G N 1.489 110.289 108.800 0.000 0.000 2.175 592 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.244 592 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.244 592 G C -0.038 174.683 174.900 -0.298 0.000 0.982 592 G CA 0.171 45.075 45.100 -0.327 0.000 0.641 592 G HN 0.754 nan 8.290 nan 0.000 0.527 593 K N 0.892 121.179 120.400 -0.188 0.000 2.416 593 K HA 0.440 4.760 4.320 -0.000 0.000 0.283 593 K C 0.283 176.720 176.600 -0.272 0.000 1.037 593 K CA -0.248 55.906 56.287 -0.221 0.000 0.995 593 K CB 0.536 32.956 32.500 -0.132 0.000 0.938 593 K HN 0.042 nan 8.250 nan 0.000 0.475 594 V N 4.174 123.841 119.914 -0.412 0.000 2.427 594 V HA 0.224 4.344 4.120 -0.000 0.000 0.286 594 V C -0.159 175.813 176.094 -0.204 0.000 1.034 594 V CA -0.548 61.543 62.300 -0.349 0.000 0.893 594 V CB 1.720 33.205 31.823 -0.562 0.000 0.982 594 V HN 0.859 nan 8.190 nan 0.000 0.452 595 T N 6.508 121.022 114.554 -0.066 0.000 2.807 595 T HA 0.660 5.010 4.350 -0.000 0.000 0.279 595 T C -0.519 174.228 174.700 0.078 0.000 0.993 595 T CA -0.344 61.752 62.100 -0.008 0.000 0.970 595 T CB 1.013 69.855 68.868 -0.043 0.000 0.950 595 T HN 0.351 nan 8.240 nan 0.000 0.441 596 L N 3.308 124.553 121.223 0.038 0.000 2.329 596 L HA 0.665 5.005 4.340 -0.000 0.000 0.279 596 L C 0.115 176.918 176.870 -0.112 0.000 1.014 596 L CA -0.893 53.926 54.840 -0.035 0.000 0.814 596 L CB 1.662 43.711 42.059 -0.017 0.000 1.257 596 L HN 0.423 nan 8.230 nan 0.000 0.424 597 K N 1.800 122.037 120.400 -0.272 0.000 2.439 597 K HA 0.673 4.993 4.320 -0.000 0.000 0.260 597 K C -1.794 174.409 176.600 -0.661 0.000 1.032 597 K CA -0.920 55.232 56.287 -0.225 0.000 0.882 597 K CB 2.598 35.158 32.500 0.100 0.000 1.420 597 K HN 0.230 nan 8.250 nan 0.000 0.455 598 Y N 0.198 120.611 120.300 0.188 0.000 2.545 598 Y HA 0.456 5.006 4.550 -0.000 0.000 0.348 598 Y C -0.399 175.629 175.900 0.212 0.000 1.002 598 Y CA -1.076 57.136 58.100 0.187 0.000 1.039 598 Y CB 2.120 40.629 38.460 0.081 0.000 1.271 598 Y HN 0.489 nan 8.280 nan 0.000 0.467 599 R N 0.626 121.295 120.500 0.281 0.000 2.771 599 R HA 0.732 5.072 4.340 -0.000 0.000 0.274 599 R C -3.480 173.010 176.300 0.317 0.000 0.987 599 R CA -2.323 53.755 56.100 -0.038 0.000 0.908 599 R CB 2.048 31.990 30.300 -0.597 0.000 1.213 599 R HN 0.219 nan 8.270 nan 0.000 0.468 600 P HA 0.047 nan 4.420 nan 0.000 0.271 600 P C -0.475 176.980 177.300 0.258 0.000 1.218 600 P CA -0.510 62.777 63.100 0.312 0.000 0.780 600 P CB 0.747 32.538 31.700 0.153 0.000 0.901 601 V N 3.957 123.978 119.914 0.178 0.000 2.686 601 V HA 0.114 4.234 4.120 -0.000 0.000 0.295 601 V C 0.732 176.930 176.094 0.173 0.000 1.055 601 V CA -0.087 62.274 62.300 0.102 0.000 1.050 601 V CB 0.338 32.151 31.823 -0.017 0.000 0.984 601 V HN 0.373 nan 8.190 nan 0.000 0.482 602 I N 3.947 124.634 120.570 0.195 0.000 2.312 602 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 602 I C 0.522 176.741 176.117 0.169 0.000 1.031 602 I CA -0.119 61.285 61.300 0.172 0.000 1.293 602 I CB 0.979 39.081 38.000 0.170 0.000 1.403 602 I HN 0.639 nan 8.210 nan 0.000 0.484 603 D N 4.858 125.359 120.400 0.168 0.000 2.355 603 D HA -0.003 4.637 4.640 -0.000 0.000 0.206 603 D C 0.955 177.372 176.300 0.195 0.000 1.010 603 D CA 0.278 54.390 54.000 0.186 0.000 0.875 603 D CB 0.271 41.179 40.800 0.180 0.000 0.966 603 D HN 0.517 nan 8.370 nan 0.000 0.512 604 R N 1.611 122.210 120.500 0.166 0.000 2.643 604 R HA 0.216 4.556 4.340 -0.000 0.000 0.270 604 R C 0.534 176.942 176.300 0.179 0.000 1.061 604 R CA 0.042 56.235 56.100 0.155 0.000 1.107 604 R CB 0.249 30.619 30.300 0.117 0.000 0.999 604 R HN -0.086 nan 8.270 nan 0.000 0.460 605 T N -0.392 114.279 114.554 0.195 0.000 2.891 605 T HA 0.218 4.568 4.350 -0.000 0.000 0.294 605 T C 1.349 176.131 174.700 0.138 0.000 1.065 605 T CA -0.915 61.341 62.100 0.260 0.000 0.936 605 T CB 0.507 69.542 68.868 0.278 0.000 1.415 605 T HN 0.597 nan 8.240 nan 0.000 0.572 606 L N 0.338 121.613 121.223 0.086 0.000 2.558 606 L HA 0.333 4.673 4.340 -0.000 0.000 0.225 606 L C 0.733 177.576 176.870 -0.044 0.000 1.128 606 L CA 0.325 55.018 54.840 -0.245 0.000 0.868 606 L CB -0.351 41.246 42.059 -0.771 0.000 1.006 606 L HN 0.685 nan 8.230 nan 0.000 0.454 607 N N -0.382 118.414 118.700 0.160 0.000 3.321 607 N HA -0.029 4.711 4.740 -0.000 0.000 0.217 607 N C 0.350 175.933 175.510 0.122 0.000 1.405 607 N CA -0.051 53.081 53.050 0.138 0.000 0.799 607 N CB 0.615 39.198 38.487 0.159 0.000 1.619 607 N HN -0.104 nan 8.380 nan 0.000 0.648 608 E N 1.609 121.858 120.200 0.081 0.000 2.147 608 E HA -0.206 4.144 4.350 -0.000 0.000 0.199 608 E C 0.666 177.283 176.600 0.028 0.000 1.005 608 E CA 2.010 58.443 56.400 0.055 0.000 0.810 608 E CB 0.357 30.090 29.700 0.054 0.000 0.736 608 E HN 0.652 nan 8.360 nan 0.000 0.460 609 E N -0.187 120.034 120.200 0.035 0.000 2.152 609 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 609 E C 1.533 178.140 176.600 0.011 0.000 0.983 609 E CA 1.384 57.796 56.400 0.020 0.000 0.818 609 E CB -0.153 29.563 29.700 0.027 0.000 0.758 609 E HN 0.317 nan 8.360 nan 0.000 0.467 610 D N -1.339 119.082 120.400 0.034 0.000 2.277 610 D HA 0.005 4.645 4.640 -0.000 0.000 0.209 610 D C -0.530 175.722 176.300 -0.080 0.000 0.970 610 D CA 0.323 54.341 54.000 0.030 0.000 0.874 610 D CB 0.464 41.347 40.800 0.138 0.000 0.982 610 D HN 0.147 nan 8.370 nan 0.000 0.504 611 C N 1.555 120.773 119.300 -0.136 0.000 2.679 611 C HA 0.615 5.075 4.460 -0.000 0.000 0.354 611 C C -0.397 174.455 174.990 -0.229 0.000 1.067 611 C CA -0.639 58.156 59.018 -0.371 0.000 1.317 611 C CB -0.519 26.721 27.740 -0.834 0.000 1.843 611 C HN 0.309 nan 8.230 nan 0.000 0.459 612 S N 4.320 119.953 115.700 -0.112 0.000 2.584 612 S HA 0.518 4.988 4.470 -0.000 0.000 0.273 612 S C 0.227 174.912 174.600 0.142 0.000 1.311 612 S CA -0.203 58.002 58.200 0.008 0.000 1.034 612 S CB 1.529 64.730 63.200 0.001 0.000 0.939 612 S HN 1.123 nan 8.310 nan 0.000 0.513 613 S N 1.111 116.921 115.700 0.183 0.000 2.558 613 S HA 0.217 4.687 4.470 -0.000 0.000 0.288 613 S C -0.283 174.495 174.600 0.297 0.000 1.318 613 S CA -0.629 57.743 58.200 0.287 0.000 1.056 613 S CB -0.236 63.092 63.200 0.215 0.000 0.853 613 S HN 0.663 nan 8.310 nan 0.000 0.505 614 V N 8.386 128.522 119.914 0.370 0.000 2.311 614 V HA 0.379 4.499 4.120 -0.000 0.000 0.275 614 V C -1.809 174.506 176.094 0.368 0.000 1.022 614 V CA -1.722 60.803 62.300 0.375 0.000 0.830 614 V CB 0.875 32.952 31.823 0.423 0.000 1.012 614 V HN 0.783 nan 8.190 nan 0.000 0.452 615 P HA 0.250 nan 4.420 nan 0.000 0.272 615 P C -2.735 174.178 177.300 -0.644 0.000 1.223 615 P CA -1.631 61.395 63.100 -0.123 0.000 0.784 615 P CB 0.152 31.807 31.700 -0.075 0.000 0.923 616 P HA 0.179 nan 4.420 nan 0.000 0.266 616 P C -0.557 175.758 177.300 -1.642 0.000 1.193 616 P CA 0.727 62.462 63.100 -2.274 0.000 0.770 616 P CB 0.169 30.788 31.700 -1.802 0.000 0.836 617 A N 2.569 124.402 122.820 -1.645 0.000 2.588 617 A HA 0.591 4.911 4.320 -0.000 0.000 0.290 617 A C -0.815 176.532 177.584 -0.396 0.000 1.136 617 A CA -0.778 50.854 52.037 -0.675 0.000 0.681 617 A CB 0.549 19.327 19.000 -0.370 0.000 1.282 617 A HN 0.407 nan 8.150 nan 0.000 0.421 618 I N 0.956 121.452 120.570 -0.124 0.000 2.648 618 I HA 0.180 4.350 4.170 -0.000 0.000 0.284 618 I C 0.958 177.107 176.117 0.054 0.000 1.153 618 I CA 0.434 61.729 61.300 -0.009 0.000 1.426 618 I CB 0.550 38.560 38.000 0.018 0.000 1.381 618 I HN 0.603 nan 8.210 nan 0.000 0.571 619 R N 5.502 126.078 120.500 0.127 0.000 2.215 619 R HA 0.461 4.801 4.340 -0.000 0.000 0.336 619 R C -1.142 175.189 176.300 0.053 0.000 0.996 619 R CA -0.232 55.955 56.100 0.145 0.000 0.847 619 R CB 0.736 31.206 30.300 0.284 0.000 1.127 619 R HN 0.806 nan 8.270 nan 0.000 0.465 620 S N 2.847 118.486 115.700 -0.102 0.000 2.546 620 S HA 0.525 4.995 4.470 -0.000 0.000 0.274 620 S C -1.247 173.186 174.600 -0.278 0.000 1.121 620 S CA -0.831 57.330 58.200 -0.065 0.000 0.887 620 S CB 1.151 64.357 63.200 0.010 0.000 1.094 620 S HN 0.465 nan 8.310 nan 0.000 0.474 621 Y N 0.000 120.342 120.300 0.070 0.000 2.660 621 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 621 Y CA 0.000 58.132 58.100 0.054 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