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 1a5u_1_A DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKGPDF LVTEVENGGF LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKAADVH EVRKILGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE IIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR KLFEELARSS SHSTDLMEAM DATA SEQUENCE AMGSVEASYK CLAAALIVLT ESGRSAHQVA RYRPRAPIIA VTRNHQTARQ DATA SEQUENCE AHLYRGIFPV VCKDPVQEAW AEDVDLRVNL AMNVGKARGF FKKGDVVIVL DATA SEQUENCE TGWRPGSGFT NTMRVVPVP 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 12 I HA 0.000 nan 4.170 nan 0.000 0.288 12 I C 0.000 176.095 176.117 -0.036 0.000 1.063 12 I CA 0.000 61.270 61.300 -0.050 0.000 1.566 12 I CB 0.000 37.977 38.000 -0.039 0.000 1.214 13 Q N 2.228 122.006 119.800 -0.037 0.000 2.454 13 Q HA 0.289 4.628 4.340 -0.001 0.000 0.247 13 Q C 0.032 176.026 176.000 -0.009 0.000 1.028 13 Q CA 0.454 56.248 55.803 -0.016 0.000 0.910 13 Q CB 1.113 29.853 28.738 0.002 0.000 1.276 13 Q HN 0.526 nan 8.270 nan 0.000 0.489 14 T N 0.887 115.438 114.554 -0.005 0.000 2.927 14 T HA 0.067 4.416 4.350 -0.001 0.000 0.281 14 T C -0.365 174.332 174.700 -0.005 0.000 0.998 14 T CA -0.233 61.864 62.100 -0.005 0.000 1.019 14 T CB 0.736 69.602 68.868 -0.003 0.000 1.061 14 T HN 0.674 nan 8.240 nan 0.000 0.518 15 Q N 1.640 121.435 119.800 -0.008 0.000 2.434 15 Q HA -0.218 4.121 4.340 -0.001 0.000 0.299 15 Q C -0.240 175.757 176.000 -0.005 0.000 1.286 15 Q CA 0.309 56.106 55.803 -0.010 0.000 0.872 15 Q CB -0.660 28.067 28.738 -0.019 0.000 1.193 15 Q HN 0.732 nan 8.270 nan 0.000 0.466 16 Q N -2.415 117.378 119.800 -0.011 0.000 2.437 16 Q HA -0.261 4.078 4.340 -0.001 0.000 0.274 16 Q C 0.742 176.738 176.000 -0.005 0.000 1.165 16 Q CA 1.516 57.304 55.803 -0.025 0.000 0.925 16 Q CB -1.839 26.867 28.738 -0.053 0.000 1.327 16 Q HN 0.686 nan 8.270 nan 0.000 0.505 17 L N -1.156 120.076 121.223 0.014 0.000 2.191 17 L HA -0.211 4.129 4.340 -0.001 0.000 0.212 17 L C 2.303 179.215 176.870 0.070 0.000 1.103 17 L CA 1.662 56.520 54.840 0.030 0.000 0.769 17 L CB -0.448 41.624 42.059 0.021 0.000 0.908 17 L HN 0.327 nan 8.230 nan 0.000 0.438 18 H N 0.346 119.389 119.070 -0.044 0.000 2.299 18 H HA -0.097 4.458 4.556 -0.001 0.000 0.302 18 H C 2.166 177.457 175.328 -0.061 0.000 1.078 18 H CA 1.442 57.462 56.048 -0.047 0.000 1.323 18 H CB -0.046 29.681 29.762 -0.058 0.000 1.381 18 H HN 0.228 nan 8.280 nan 0.000 0.498 19 A N 1.055 123.778 122.820 -0.163 0.000 1.917 19 A HA -0.145 4.175 4.320 -0.001 0.000 0.219 19 A C 2.628 180.122 177.584 -0.151 0.000 1.182 19 A CA 2.034 53.869 52.037 -0.336 0.000 0.633 19 A CB -1.437 17.270 19.000 -0.488 0.000 0.819 19 A HN 0.617 nan 8.150 nan 0.000 0.448 20 A N -1.390 121.428 122.820 -0.003 0.000 2.084 20 A HA -0.136 4.183 4.320 -0.001 0.000 0.221 20 A C 1.978 179.641 177.584 0.132 0.000 1.161 20 A CA 1.911 54.029 52.037 0.134 0.000 0.653 20 A CB -0.435 18.610 19.000 0.074 0.000 0.802 20 A HN 0.440 nan 8.150 nan 0.000 0.457 21 M N -0.590 119.022 119.600 0.021 0.000 2.506 21 M HA 0.211 4.691 4.480 -0.001 0.000 0.260 21 M C 1.321 177.640 176.300 0.031 0.000 1.104 21 M CA 0.093 55.404 55.300 0.018 0.000 1.112 21 M CB -1.620 30.969 32.600 -0.018 0.000 1.401 21 M HN 0.397 nan 8.290 nan 0.000 0.473 22 A N 1.188 124.001 122.820 -0.011 0.000 2.586 22 A HA -0.075 4.245 4.320 -0.001 0.000 0.231 22 A C 1.072 178.788 177.584 0.221 0.000 1.055 22 A CA 0.505 52.541 52.037 -0.003 0.000 0.756 22 A CB 0.131 19.016 19.000 -0.191 0.000 0.988 22 A HN 0.353 nan 8.150 nan 0.000 0.509 23 D N -0.641 119.849 120.400 0.150 0.000 2.259 23 D HA 0.043 4.682 4.640 -0.001 0.000 0.216 23 D C 1.020 177.470 176.300 0.249 0.000 0.961 23 D CA 1.882 55.987 54.000 0.175 0.000 0.878 23 D CB 0.166 41.020 40.800 0.090 0.000 1.009 23 D HN 0.788 nan 8.370 nan 0.000 0.490 24 T N -2.942 111.734 114.554 0.204 0.000 2.912 24 T HA 0.258 4.607 4.350 -0.001 0.000 0.288 24 T C 0.892 175.719 174.700 0.213 0.000 1.030 24 T CA -0.779 61.463 62.100 0.237 0.000 1.020 24 T CB 1.524 70.482 68.868 0.150 0.000 1.056 24 T HN -0.173 nan 8.240 nan 0.000 0.480 25 F N 1.040 121.092 119.950 0.170 0.000 2.120 25 F HA -0.041 4.485 4.527 -0.001 0.000 0.300 25 F C 2.066 177.858 175.800 -0.012 0.000 1.095 25 F CA 1.638 59.676 58.000 0.064 0.000 1.249 25 F CB -0.255 38.813 39.000 0.113 0.000 0.995 25 F HN 0.581 nan 8.300 nan 0.000 0.480 26 L N 0.374 121.716 121.223 0.198 0.000 2.042 26 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 26 L C 2.202 179.069 176.870 -0.004 0.000 1.076 26 L CA 2.051 56.949 54.840 0.096 0.000 0.749 26 L CB -0.964 41.145 42.059 0.085 0.000 0.893 26 L HN 0.092 nan 8.230 nan 0.000 0.432 27 E N -1.109 119.075 120.200 -0.026 0.000 2.072 27 E HA -0.269 4.080 4.350 -0.001 0.000 0.191 27 E C 2.202 178.685 176.600 -0.195 0.000 0.985 27 E CA 1.550 57.898 56.400 -0.088 0.000 0.801 27 E CB -0.297 29.367 29.700 -0.060 0.000 0.750 27 E HN 0.722 nan 8.360 nan 0.000 0.452 28 H N -0.265 118.542 119.070 -0.438 0.000 2.265 28 H HA -0.120 4.435 4.556 -0.001 0.000 0.295 28 H C 2.053 177.112 175.328 -0.449 0.000 1.084 28 H CA 2.587 58.232 56.048 -0.673 0.000 1.261 28 H CB -0.241 28.760 29.762 -1.267 0.000 1.360 28 H HN 0.152 nan 8.280 nan 0.000 0.487 29 M N -0.775 118.642 119.600 -0.305 0.000 2.073 29 M HA -0.276 4.204 4.480 -0.001 0.000 0.258 29 M C 2.642 178.817 176.300 -0.209 0.000 1.070 29 M CA 1.870 57.031 55.300 -0.231 0.000 1.103 29 M CB -0.542 32.018 32.600 -0.066 0.000 1.321 29 M HN 0.445 nan 8.290 nan 0.000 0.405 30 C N -0.018 119.190 119.300 -0.153 0.000 2.403 30 C HA -0.154 4.305 4.460 -0.001 0.000 0.282 30 C C 2.347 177.263 174.990 -0.122 0.000 1.297 30 C CA 0.953 59.905 59.018 -0.110 0.000 1.785 30 C CB -1.364 26.333 27.740 -0.072 0.000 1.963 30 C HN 0.466 nan 8.230 nan 0.000 0.507 31 R N 0.031 120.416 120.500 -0.192 0.000 2.359 31 R HA 0.258 4.597 4.340 -0.001 0.000 0.231 31 R C -0.006 176.193 176.300 -0.169 0.000 0.913 31 R CA -0.120 55.892 56.100 -0.147 0.000 1.075 31 R CB -0.101 30.068 30.300 -0.219 0.000 1.087 31 R HN 0.469 nan 8.270 nan 0.000 0.515 32 L N 2.157 123.243 121.223 -0.228 0.000 2.513 32 L HA 0.030 4.369 4.340 -0.001 0.000 0.272 32 L C -0.028 176.776 176.870 -0.111 0.000 1.187 32 L CA 0.240 54.956 54.840 -0.207 0.000 0.895 32 L CB 0.160 42.088 42.059 -0.219 0.000 1.147 32 L HN -0.041 nan 8.230 nan 0.000 0.483 33 D N 3.574 123.924 120.400 -0.083 0.000 2.425 33 D HA 0.199 4.838 4.640 -0.001 0.000 0.240 33 D C 1.015 177.289 176.300 -0.043 0.000 1.080 33 D CA -0.547 53.422 54.000 -0.051 0.000 0.836 33 D CB 1.384 42.164 40.800 -0.033 0.000 1.125 33 D HN 0.467 nan 8.370 nan 0.000 0.525 34 I N 0.304 120.851 120.570 -0.038 0.000 2.530 34 I HA -0.128 4.042 4.170 -0.001 0.000 0.257 34 I C 0.342 176.445 176.117 -0.024 0.000 1.179 34 I CA 1.112 62.395 61.300 -0.030 0.000 1.440 34 I CB 0.144 38.128 38.000 -0.026 0.000 1.087 34 I HN 0.081 nan 8.210 nan 0.000 0.440 35 D N 1.047 121.432 120.400 -0.025 0.000 2.350 35 D HA 0.041 4.680 4.640 -0.001 0.000 0.213 35 D C 0.897 177.185 176.300 -0.020 0.000 1.031 35 D CA 0.400 54.387 54.000 -0.021 0.000 0.861 35 D CB 0.321 41.109 40.800 -0.021 0.000 0.926 35 D HN 0.274 nan 8.370 nan 0.000 0.520 36 S N 0.725 116.412 115.700 -0.022 0.000 2.416 36 S HA 0.459 4.929 4.470 -0.001 0.000 0.287 36 S C -0.044 174.546 174.600 -0.016 0.000 1.139 36 S CA -0.700 57.488 58.200 -0.019 0.000 1.058 36 S CB 0.392 63.580 63.200 -0.021 0.000 0.967 36 S HN 0.169 nan 8.310 nan 0.000 0.495 37 A N 7.508 130.321 122.820 -0.012 0.000 2.363 37 A HA 0.622 4.941 4.320 -0.001 0.000 0.270 37 A C -2.278 175.301 177.584 -0.007 0.000 1.121 37 A CA -1.434 50.599 52.037 -0.008 0.000 0.800 37 A CB -0.032 18.967 19.000 -0.003 0.000 1.052 37 A HN 0.672 nan 8.150 nan 0.000 0.493 38 P HA 0.293 nan 4.420 nan 0.000 0.274 38 P C 0.198 177.494 177.300 -0.007 0.000 1.246 38 P CA -0.214 62.879 63.100 -0.011 0.000 0.795 38 P CB 0.390 32.078 31.700 -0.020 0.000 1.006 39 I N -1.537 119.023 120.570 -0.016 0.000 3.418 39 I HA 0.219 4.388 4.170 -0.001 0.000 0.279 39 I C 1.489 177.606 176.117 -0.000 0.000 1.143 39 I CA -0.245 61.044 61.300 -0.018 0.000 0.983 39 I CB -0.290 37.676 38.000 -0.057 0.000 1.558 39 I HN 0.357 nan 8.210 nan 0.000 0.766 40 T N -1.138 113.430 114.554 0.024 0.000 3.051 40 T HA 0.327 4.676 4.350 -0.001 0.000 0.255 40 T C 0.877 175.663 174.700 0.143 0.000 1.085 40 T CA 0.241 62.410 62.100 0.116 0.000 1.109 40 T CB -0.258 68.717 68.868 0.179 0.000 0.921 40 T HN 0.774 nan 8.240 nan 0.000 0.488 41 A N 2.193 124.922 122.820 -0.152 0.000 2.396 41 A HA 0.505 4.825 4.320 -0.001 0.000 0.279 41 A C 0.411 178.023 177.584 0.046 0.000 1.165 41 A CA -0.662 51.169 52.037 -0.344 0.000 0.824 41 A CB -0.051 18.055 19.000 -1.490 0.000 1.100 41 A HN 0.444 nan 8.150 nan 0.000 0.516 42 R N 3.000 123.685 120.500 0.307 0.000 2.234 42 R HA 0.134 4.473 4.340 -0.001 0.000 0.324 42 R C 0.120 176.595 176.300 0.292 0.000 1.054 42 R CA -0.073 56.156 56.100 0.215 0.000 0.912 42 R CB 0.231 30.648 30.300 0.194 0.000 1.030 42 R HN 0.953 nan 8.270 nan 0.000 0.455 43 N N 0.781 119.598 118.700 0.194 0.000 2.368 43 N HA -0.030 4.709 4.740 -0.001 0.000 0.176 43 N C -0.414 175.125 175.510 0.049 0.000 1.021 43 N CA 0.505 53.653 53.050 0.164 0.000 0.888 43 N CB 0.418 39.016 38.487 0.185 0.000 0.995 43 N HN 0.445 nan 8.380 nan 0.000 0.437 44 T N 1.157 115.743 114.554 0.053 0.000 2.727 44 T HA 0.217 4.566 4.350 -0.001 0.000 0.295 44 T C 0.662 175.378 174.700 0.027 0.000 0.915 44 T CA -0.543 61.577 62.100 0.034 0.000 1.066 44 T CB 0.961 69.849 68.868 0.034 0.000 0.891 44 T HN 0.132 nan 8.240 nan 0.000 0.516 45 G N 3.027 111.838 108.800 0.018 0.000 2.484 45 G HA2 0.376 4.335 3.960 -0.001 0.000 0.235 45 G HA3 0.376 4.335 3.960 -0.001 0.000 0.235 45 G C -0.287 174.630 174.900 0.029 0.000 1.282 45 G CA -0.453 44.670 45.100 0.038 0.000 0.857 45 G HN 0.774 nan 8.290 nan 0.000 0.571 46 I N 1.503 122.087 120.570 0.024 0.000 2.389 46 I HA 0.297 4.466 4.170 -0.001 0.000 0.288 46 I C -0.297 175.823 176.117 0.005 0.000 0.999 46 I CA -0.494 60.819 61.300 0.020 0.000 1.129 46 I CB 1.827 39.847 38.000 0.033 0.000 1.288 46 I HN 0.222 nan 8.210 nan 0.000 0.444 47 I N 5.984 126.571 120.570 0.028 0.000 2.339 47 I HA 0.313 4.482 4.170 -0.001 0.000 0.290 47 I C -0.617 175.532 176.117 0.054 0.000 0.994 47 I CA -0.235 61.098 61.300 0.055 0.000 1.191 47 I CB 1.166 39.236 38.000 0.118 0.000 1.343 47 I HN 0.533 nan 8.210 nan 0.000 0.458 48 C N 3.886 123.209 119.300 0.039 0.000 2.379 48 C HA 0.445 4.904 4.460 -0.001 0.000 0.323 48 C C 0.551 175.567 174.990 0.043 0.000 1.262 48 C CA -0.683 58.356 59.018 0.037 0.000 1.581 48 C CB 1.077 28.829 27.740 0.021 0.000 2.221 48 C HN 0.638 nan 8.230 nan 0.000 0.497 49 T N 4.877 119.460 114.554 0.049 0.000 2.729 49 T HA 0.314 4.663 4.350 -0.001 0.000 0.296 49 T C 0.150 174.879 174.700 0.049 0.000 0.928 49 T CA -0.035 62.095 62.100 0.051 0.000 1.045 49 T CB -0.211 68.687 68.868 0.049 0.000 0.902 49 T HN 0.344 nan 8.240 nan 0.000 0.500 50 I N 3.979 124.588 120.570 0.065 0.000 2.325 50 I HA 0.579 4.748 4.170 -0.001 0.000 0.291 50 I C 0.927 177.121 176.117 0.128 0.000 1.019 50 I CA -0.412 60.935 61.300 0.078 0.000 1.302 50 I CB 0.445 38.490 38.000 0.075 0.000 1.401 50 I HN 0.762 nan 8.210 nan 0.000 0.485 51 G N 7.136 116.002 108.800 0.110 0.000 3.003 51 G HA2 0.494 4.453 3.960 -0.001 0.000 0.243 51 G HA3 0.494 4.453 3.960 -0.001 0.000 0.243 51 G C -2.397 172.589 174.900 0.144 0.000 1.176 51 G CA -0.299 44.899 45.100 0.164 0.000 0.812 51 G HN 0.281 nan 8.290 nan 0.000 0.584 52 P HA -0.058 nan 4.420 nan 0.000 0.214 52 P C 1.963 179.288 177.300 0.042 0.000 1.163 52 P CA 2.584 65.749 63.100 0.108 0.000 0.883 52 P CB -0.131 31.621 31.700 0.087 0.000 0.788 53 A N -0.513 122.321 122.820 0.024 0.000 2.172 53 A HA -0.055 4.264 4.320 -0.001 0.000 0.216 53 A C 1.715 179.302 177.584 0.005 0.000 1.154 53 A CA 1.836 53.874 52.037 0.001 0.000 0.701 53 A CB -0.990 18.005 19.000 -0.009 0.000 0.789 53 A HN 0.383 nan 8.150 nan 0.000 0.465 54 S N -2.563 113.148 115.700 0.017 0.000 2.960 54 S HA 0.250 4.720 4.470 -0.001 0.000 0.256 54 S C 1.144 175.751 174.600 0.013 0.000 1.017 54 S CA -0.341 57.869 58.200 0.016 0.000 1.144 54 S CB -0.048 63.166 63.200 0.025 0.000 1.109 54 S HN 0.503 nan 8.310 nan 0.000 0.638 55 R N 2.523 123.024 120.500 0.002 0.000 2.115 55 R HA 0.043 4.382 4.340 -0.001 0.000 0.230 55 R C 1.252 177.528 176.300 -0.039 0.000 1.111 55 R CA 1.053 57.135 56.100 -0.031 0.000 0.976 55 R CB -0.269 29.975 30.300 -0.093 0.000 0.870 55 R HN 0.562 nan 8.270 nan 0.000 0.445 56 S N 0.132 115.814 115.700 -0.030 0.000 2.558 56 S HA -0.041 4.429 4.470 -0.001 0.000 0.291 56 S C 1.423 176.013 174.600 -0.016 0.000 1.306 56 S CA -0.465 57.719 58.200 -0.028 0.000 1.056 56 S CB 1.270 64.458 63.200 -0.021 0.000 0.836 56 S HN -0.022 nan 8.310 nan 0.000 0.504 57 V N 3.285 123.187 119.914 -0.020 0.000 2.809 57 V HA -0.065 4.054 4.120 -0.001 0.000 0.256 57 V C 2.639 178.729 176.094 -0.007 0.000 1.080 57 V CA 1.989 64.282 62.300 -0.013 0.000 1.102 57 V CB -1.058 30.751 31.823 -0.023 0.000 0.705 57 V HN 1.005 nan 8.190 nan 0.000 0.475 58 E N 0.080 120.275 120.200 -0.008 0.000 2.107 58 E HA -0.157 4.193 4.350 -0.001 0.000 0.191 58 E C 2.230 178.841 176.600 0.018 0.000 0.982 58 E CA 1.568 57.967 56.400 -0.002 0.000 0.809 58 E CB 0.059 29.755 29.700 -0.007 0.000 0.756 58 E HN 0.601 nan 8.360 nan 0.000 0.459 59 T N 1.617 116.180 114.554 0.015 0.000 2.857 59 T HA -0.107 4.242 4.350 -0.001 0.000 0.266 59 T C 1.742 176.465 174.700 0.039 0.000 1.048 59 T CA 0.365 62.479 62.100 0.023 0.000 1.139 59 T CB -0.056 68.820 68.868 0.013 0.000 0.874 59 T HN 0.026 nan 8.240 nan 0.000 0.455 60 L N 1.634 122.880 121.223 0.039 0.000 1.971 60 L HA -0.085 4.255 4.340 -0.001 0.000 0.215 60 L C 2.357 179.290 176.870 0.106 0.000 1.072 60 L CA 1.740 56.614 54.840 0.057 0.000 0.758 60 L CB -1.020 41.069 42.059 0.050 0.000 0.889 60 L HN 0.225 nan 8.230 nan 0.000 0.433 61 K N -0.643 119.837 120.400 0.133 0.000 2.052 61 K HA -0.232 4.088 4.320 -0.001 0.000 0.215 61 K C 1.801 178.564 176.600 0.271 0.000 1.053 61 K CA 1.618 58.067 56.287 0.271 0.000 0.934 61 K CB -0.248 32.321 32.500 0.116 0.000 0.717 61 K HN 0.308 nan 8.250 nan 0.000 0.450 62 E N 0.326 120.612 120.200 0.143 0.000 2.265 62 E HA -0.128 4.222 4.350 -0.001 0.000 0.196 62 E C 1.859 178.494 176.600 0.057 0.000 0.996 62 E CA 0.975 57.432 56.400 0.095 0.000 0.832 62 E CB -0.069 29.668 29.700 0.062 0.000 0.756 62 E HN 0.391 nan 8.360 nan 0.000 0.491 63 M N -0.300 119.335 119.600 0.059 0.000 2.193 63 M HA -0.025 4.454 4.480 -0.001 0.000 0.265 63 M C 2.160 178.455 176.300 -0.009 0.000 1.071 63 M CA 0.936 56.252 55.300 0.025 0.000 1.140 63 M CB 0.025 32.641 32.600 0.026 0.000 1.369 63 M HN 0.029 nan 8.290 nan 0.000 0.423 64 I N -0.247 120.321 120.570 -0.003 0.000 2.315 64 I HA -0.310 3.859 4.170 -0.001 0.000 0.248 64 I C 2.250 178.260 176.117 -0.179 0.000 1.117 64 I CA 1.245 62.488 61.300 -0.095 0.000 1.404 64 I CB -0.370 37.570 38.000 -0.099 0.000 1.071 64 I HN 0.252 nan 8.210 nan 0.000 0.419 65 K N 0.626 120.933 120.400 -0.156 0.000 2.009 65 K HA -0.151 4.168 4.320 -0.001 0.000 0.210 65 K C 2.175 178.692 176.600 -0.137 0.000 1.049 65 K CA 1.937 58.121 56.287 -0.172 0.000 0.929 65 K CB -0.206 32.263 32.500 -0.053 0.000 0.714 65 K HN 0.190 nan 8.250 nan 0.000 0.440 66 S N -0.876 114.770 115.700 -0.089 0.000 2.469 66 S HA -0.064 4.405 4.470 -0.001 0.000 0.238 66 S C 1.342 175.854 174.600 -0.146 0.000 0.998 66 S CA 1.126 59.268 58.200 -0.097 0.000 0.957 66 S CB 0.269 63.445 63.200 -0.039 0.000 0.764 66 S HN 0.661 nan 8.310 nan 0.000 0.514 67 G N 0.557 109.281 108.800 -0.128 0.000 2.935 67 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.213 67 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.213 67 G C 0.119 174.983 174.900 -0.060 0.000 0.984 67 G CA -0.193 44.844 45.100 -0.104 0.000 0.790 67 G HN 0.429 nan 8.290 nan 0.000 0.538 68 M N 1.559 121.120 119.600 -0.065 0.000 2.260 68 M HA 0.321 4.800 4.480 -0.001 0.000 0.348 68 M C 0.770 176.981 176.300 -0.148 0.000 1.342 68 M CA 1.238 56.493 55.300 -0.075 0.000 1.040 68 M CB 0.166 32.734 32.600 -0.053 0.000 1.810 68 M HN 0.225 nan 8.290 nan 0.000 0.453 69 N N 2.928 121.505 118.700 -0.206 0.000 2.397 69 N HA 0.222 4.961 4.740 -0.001 0.000 0.190 69 N C -1.101 174.099 175.510 -0.515 0.000 1.099 69 N CA -0.240 52.498 53.050 -0.520 0.000 0.876 69 N CB 0.983 39.178 38.487 -0.485 0.000 1.143 69 N HN 0.460 nan 8.380 nan 0.000 0.468 70 V N 0.487 120.267 119.914 -0.223 0.000 2.733 70 V HA 0.710 4.829 4.120 -0.001 0.000 0.306 70 V C -1.087 174.975 176.094 -0.052 0.000 1.084 70 V CA -1.387 60.845 62.300 -0.113 0.000 0.905 70 V CB 1.702 33.513 31.823 -0.021 0.000 1.010 70 V HN 0.080 nan 8.190 nan 0.000 0.424 71 A N 4.142 126.929 122.820 -0.054 0.000 2.260 71 A HA 0.733 5.052 4.320 -0.001 0.000 0.314 71 A C 0.013 177.558 177.584 -0.065 0.000 1.257 71 A CA -0.533 51.484 52.037 -0.033 0.000 0.871 71 A CB 0.510 19.500 19.000 -0.018 0.000 1.166 71 A HN 0.829 nan 8.150 nan 0.000 0.522 72 R N 3.378 123.853 120.500 -0.042 0.000 2.255 72 R HA 0.511 4.850 4.340 -0.001 0.000 0.326 72 R C -1.388 174.898 176.300 -0.023 0.000 0.986 72 R CA -0.482 55.557 56.100 -0.101 0.000 0.847 72 R CB 0.552 30.838 30.300 -0.024 0.000 1.111 72 R HN 0.667 nan 8.270 nan 0.000 0.452 73 M N 3.985 123.565 119.600 -0.033 0.000 2.055 73 M HA 0.203 4.682 4.480 -0.001 0.000 0.347 73 M C -0.291 176.008 176.300 -0.001 0.000 1.123 73 M CA -0.419 54.882 55.300 0.001 0.000 1.035 73 M CB 1.086 33.756 32.600 0.116 0.000 1.484 73 M HN 0.339 nan 8.290 nan 0.000 0.428 74 N N 2.291 120.972 118.700 -0.032 0.000 2.402 74 N HA 0.116 4.856 4.740 -0.001 0.000 0.252 74 N C -0.066 175.463 175.510 0.031 0.000 1.118 74 N CA 0.091 53.205 53.050 0.106 0.000 0.945 74 N CB 0.247 38.839 38.487 0.176 0.000 1.147 74 N HN 0.459 nan 8.380 nan 0.000 0.495 75 F N 1.185 121.091 119.950 -0.074 0.000 2.641 75 F HA -0.012 4.514 4.527 -0.001 0.000 0.298 75 F C 2.198 178.075 175.800 0.128 0.000 1.146 75 F CA 0.366 58.373 58.000 0.012 0.000 1.464 75 F CB -0.097 38.908 39.000 0.008 0.000 1.101 75 F HN 0.457 nan 8.300 nan 0.000 0.585 76 S N -1.976 113.867 115.700 0.238 0.000 2.453 76 S HA -0.052 4.417 4.470 -0.001 0.000 0.231 76 S C 0.345 174.890 174.600 -0.092 0.000 1.005 76 S CA 0.628 58.898 58.200 0.117 0.000 0.949 76 S CB -0.306 62.981 63.200 0.144 0.000 0.774 76 S HN 0.347 nan 8.310 nan 0.000 0.510 77 H N -1.018 118.104 119.070 0.087 0.000 2.797 77 H HA 0.604 5.159 4.556 -0.001 0.000 0.362 77 H C 0.861 176.159 175.328 -0.051 0.000 1.183 77 H CA 0.151 56.203 56.048 0.006 0.000 1.197 77 H CB 0.629 30.377 29.762 -0.023 0.000 1.835 77 H HN 0.224 nan 8.280 nan 0.000 0.567 78 G N -0.084 108.587 108.800 -0.216 0.000 2.633 78 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.263 78 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.263 78 G C 0.094 174.844 174.900 -0.250 0.000 1.310 78 G CA 0.104 44.860 45.100 -0.573 0.000 0.914 78 G HN 1.013 nan 8.290 nan 0.000 0.569 79 T N -5.012 109.420 114.554 -0.204 0.000 2.888 79 T HA 0.647 4.996 4.350 -0.001 0.000 0.288 79 T C 1.099 175.840 174.700 0.068 0.000 1.063 79 T CA 0.435 62.522 62.100 -0.021 0.000 1.010 79 T CB 1.680 70.542 68.868 -0.009 0.000 1.214 79 T HN 0.698 nan 8.240 nan 0.000 0.533 80 H N -0.566 118.432 119.070 -0.119 0.000 2.456 80 H HA -0.041 4.514 4.556 -0.001 0.000 0.296 80 H C 2.050 177.303 175.328 -0.125 0.000 1.079 80 H CA 1.573 57.440 56.048 -0.301 0.000 1.322 80 H CB 0.434 29.752 29.762 -0.741 0.000 1.388 80 H HN 0.831 nan 8.280 nan 0.000 0.538 81 E N 0.624 120.866 120.200 0.071 0.000 2.015 81 E HA -0.225 4.124 4.350 -0.001 0.000 0.191 81 E C 1.978 178.635 176.600 0.094 0.000 0.991 81 E CA 0.912 57.360 56.400 0.080 0.000 0.802 81 E CB -0.229 29.498 29.700 0.045 0.000 0.759 81 E HN 0.405 nan 8.360 nan 0.000 0.447 82 Y N 0.939 121.177 120.300 -0.103 0.000 2.165 82 Y HA -0.285 4.264 4.550 -0.001 0.000 0.286 82 Y C 2.235 178.015 175.900 -0.200 0.000 1.155 82 Y CA 2.305 60.288 58.100 -0.194 0.000 1.164 82 Y CB -0.150 38.111 38.460 -0.332 0.000 0.978 82 Y HN 0.274 nan 8.280 nan 0.000 0.513 83 H N -1.186 118.007 119.070 0.206 0.000 2.428 83 H HA 0.066 4.621 4.556 -0.001 0.000 0.296 83 H C 2.287 177.750 175.328 0.225 0.000 1.062 83 H CA 1.095 57.238 56.048 0.160 0.000 1.350 83 H CB -0.561 29.167 29.762 -0.058 0.000 1.403 83 H HN 0.466 nan 8.280 nan 0.000 0.533 84 A N 0.858 123.922 122.820 0.406 0.000 2.066 84 A HA -0.111 4.209 4.320 -0.001 0.000 0.218 84 A C 2.322 179.992 177.584 0.144 0.000 1.157 84 A CA 1.082 53.317 52.037 0.330 0.000 0.670 84 A CB -0.128 19.155 19.000 0.472 0.000 0.804 84 A HN 0.419 nan 8.150 nan 0.000 0.453 85 E N -0.609 119.631 120.200 0.067 0.000 2.051 85 E HA -0.122 4.227 4.350 -0.001 0.000 0.189 85 E C 1.923 178.501 176.600 -0.037 0.000 0.979 85 E CA 1.376 57.765 56.400 -0.019 0.000 0.803 85 E CB -0.111 29.527 29.700 -0.104 0.000 0.761 85 E HN 0.473 nan 8.360 nan 0.000 0.451 86 T N 1.594 116.114 114.554 -0.058 0.000 2.607 86 T HA -0.190 4.159 4.350 -0.001 0.000 0.267 86 T C 1.877 176.593 174.700 0.026 0.000 1.049 86 T CA 1.720 63.801 62.100 -0.031 0.000 1.162 86 T CB -0.289 68.610 68.868 0.051 0.000 0.863 86 T HN 0.203 nan 8.240 nan 0.000 0.424 87 I N 0.495 121.106 120.570 0.068 0.000 2.423 87 I HA -0.182 3.987 4.170 -0.001 0.000 0.254 87 I C 2.673 178.807 176.117 0.028 0.000 1.151 87 I CA 1.097 62.428 61.300 0.051 0.000 1.421 87 I CB -0.300 37.733 38.000 0.054 0.000 1.079 87 I HN 0.153 nan 8.210 nan 0.000 0.431 88 K N 1.203 121.617 120.400 0.023 0.000 1.973 88 K HA -0.131 4.188 4.320 -0.001 0.000 0.210 88 K C 1.725 178.329 176.600 0.007 0.000 1.045 88 K CA 1.596 57.891 56.287 0.013 0.000 0.937 88 K CB -0.413 32.093 32.500 0.009 0.000 0.721 88 K HN 0.436 nan 8.250 nan 0.000 0.438 89 N N 0.448 119.144 118.700 -0.005 0.000 2.258 89 N HA -0.158 4.581 4.740 -0.001 0.000 0.187 89 N C 1.791 177.307 175.510 0.010 0.000 1.012 89 N CA 0.727 53.772 53.050 -0.008 0.000 0.870 89 N CB 0.075 38.547 38.487 -0.025 0.000 0.977 89 N HN -0.039 nan 8.380 nan 0.000 0.434 90 V N 1.517 121.442 119.914 0.018 0.000 2.283 90 V HA -0.176 3.943 4.120 -0.001 0.000 0.243 90 V C 2.013 178.134 176.094 0.045 0.000 1.039 90 V CA 1.631 63.950 62.300 0.031 0.000 1.016 90 V CB -0.268 31.572 31.823 0.027 0.000 0.650 90 V HN 0.280 nan 8.190 nan 0.000 0.449 91 R N -0.810 119.714 120.500 0.040 0.000 2.236 91 R HA -0.040 4.299 4.340 -0.001 0.000 0.208 91 R C 2.218 178.554 176.300 0.059 0.000 1.036 91 R CA 1.273 57.407 56.100 0.057 0.000 1.001 91 R CB -0.498 29.828 30.300 0.045 0.000 0.896 91 R HN 0.400 nan 8.270 nan 0.000 0.464 92 T N 0.879 115.453 114.554 0.034 0.000 2.770 92 T HA -0.024 4.326 4.350 -0.001 0.000 0.263 92 T C 1.976 176.681 174.700 0.009 0.000 1.039 92 T CA 1.336 63.446 62.100 0.016 0.000 1.142 92 T CB -0.073 68.793 68.868 -0.002 0.000 0.868 92 T HN 0.371 nan 8.240 nan 0.000 0.435 93 A N 0.921 123.754 122.820 0.022 0.000 1.898 93 A HA -0.085 4.234 4.320 -0.001 0.000 0.216 93 A C 2.516 180.168 177.584 0.112 0.000 1.181 93 A CA 2.091 54.139 52.037 0.018 0.000 0.620 93 A CB -1.228 17.814 19.000 0.069 0.000 0.819 93 A HN 0.463 nan 8.150 nan 0.000 0.442 94 T N 0.231 114.898 114.554 0.189 0.000 2.652 94 T HA -0.134 4.215 4.350 -0.001 0.000 0.267 94 T C 1.738 176.665 174.700 0.380 0.000 1.039 94 T CA 1.621 63.900 62.100 0.298 0.000 1.153 94 T CB -0.289 68.687 68.868 0.180 0.000 0.863 94 T HN 0.442 nan 8.240 nan 0.000 0.428 95 E N 1.237 121.585 120.200 0.246 0.000 2.333 95 E HA -0.065 4.284 4.350 -0.001 0.000 0.198 95 E C 2.407 179.071 176.600 0.107 0.000 1.007 95 E CA 0.701 57.231 56.400 0.217 0.000 0.845 95 E CB -0.599 29.173 29.700 0.120 0.000 0.766 95 E HN 0.574 nan 8.360 nan 0.000 0.507 96 S N -0.258 115.425 115.700 -0.028 0.000 2.440 96 S HA -0.130 4.340 4.470 -0.001 0.000 0.238 96 S C 1.368 175.799 174.600 -0.282 0.000 1.010 96 S CA 0.688 58.734 58.200 -0.257 0.000 0.972 96 S CB -0.279 62.618 63.200 -0.505 0.000 0.774 96 S HN 0.191 nan 8.310 nan 0.000 0.501 97 F N 0.801 120.844 119.950 0.156 0.000 2.695 97 F HA 0.571 5.097 4.527 -0.001 0.000 0.303 97 F C 2.169 178.137 175.800 0.281 0.000 1.091 97 F CA -0.069 58.049 58.000 0.197 0.000 1.300 97 F CB -0.280 38.831 39.000 0.186 0.000 1.071 97 F HN 0.253 nan 8.300 nan 0.000 0.578 98 A N 0.115 123.118 122.820 0.305 0.000 2.216 98 A HA -0.096 4.223 4.320 -0.001 0.000 0.214 98 A C 2.216 179.733 177.584 -0.112 0.000 1.160 98 A CA 1.476 53.412 52.037 -0.169 0.000 0.725 98 A CB -0.846 17.920 19.000 -0.390 0.000 0.784 98 A HN 0.368 nan 8.150 nan 0.000 0.472 99 S N 0.355 116.061 115.700 0.009 0.000 2.344 99 S HA -0.158 4.311 4.470 -0.001 0.000 0.217 99 S C 0.940 175.550 174.600 0.017 0.000 1.033 99 S CA 0.982 59.183 58.200 0.002 0.000 1.017 99 S CB -0.584 62.627 63.200 0.017 0.000 0.941 99 S HN 0.598 nan 8.310 nan 0.000 0.430 100 D N 3.926 124.367 120.400 0.068 0.000 2.453 100 D HA 0.305 4.945 4.640 -0.001 0.000 0.223 100 D C -1.753 174.608 176.300 0.102 0.000 1.183 100 D CA -2.575 51.469 54.000 0.073 0.000 0.933 100 D CB 0.995 41.844 40.800 0.083 0.000 1.038 100 D HN 0.048 nan 8.370 nan 0.000 0.513 101 P HA -0.194 nan 4.420 nan 0.000 0.222 101 P C 1.268 178.645 177.300 0.128 0.000 1.142 101 P CA 0.665 63.809 63.100 0.073 0.000 0.788 101 P CB 0.170 31.881 31.700 0.019 0.000 0.767 102 I N -1.343 119.279 120.570 0.086 0.000 2.193 102 I HA -0.117 4.053 4.170 -0.001 0.000 0.240 102 I C 1.695 177.843 176.117 0.052 0.000 1.084 102 I CA 1.206 62.539 61.300 0.054 0.000 1.365 102 I CB -1.510 36.501 38.000 0.018 0.000 1.064 102 I HN -0.047 nan 8.210 nan 0.000 0.410 103 L N 0.212 121.475 121.223 0.066 0.000 2.783 103 L HA 0.114 4.453 4.340 -0.001 0.000 0.236 103 L C -0.023 176.894 176.870 0.079 0.000 1.225 103 L CA -0.173 54.686 54.840 0.031 0.000 1.026 103 L CB -1.473 40.588 42.059 0.003 0.000 1.314 103 L HN 0.120 nan 8.230 nan 0.000 0.489 104 Y N 1.068 121.383 120.300 0.025 0.000 2.304 104 Y HA 0.560 5.109 4.550 -0.001 0.000 0.328 104 Y C 0.060 175.981 175.900 0.035 0.000 1.123 104 Y CA -0.701 57.437 58.100 0.063 0.000 1.218 104 Y CB 0.527 39.043 38.460 0.094 0.000 1.207 104 Y HN 0.120 nan 8.280 nan 0.000 0.495 105 R N 6.805 126.910 120.500 -0.659 0.000 2.532 105 R HA 0.418 4.757 4.340 -0.001 0.000 0.297 105 R C -2.824 173.106 176.300 -0.618 0.000 0.984 105 R CA -1.966 53.827 56.100 -0.512 0.000 0.884 105 R CB 1.510 31.645 30.300 -0.274 0.000 1.182 105 R HN 0.483 nan 8.270 nan 0.000 0.442 106 P HA 0.129 nan 4.420 nan 0.000 0.271 106 P C -0.899 176.378 177.300 -0.038 0.000 1.216 106 P CA -0.324 62.696 63.100 -0.134 0.000 0.776 106 P CB 0.907 32.651 31.700 0.074 0.000 0.881 107 V N 2.147 122.032 119.914 -0.048 0.000 2.569 107 V HA 0.561 4.680 4.120 -0.001 0.000 0.301 107 V C 0.086 176.146 176.094 -0.056 0.000 1.044 107 V CA -0.944 61.280 62.300 -0.128 0.000 0.874 107 V CB 1.663 33.425 31.823 -0.102 0.000 1.002 107 V HN 0.654 nan 8.190 nan 0.000 0.424 108 A N 4.518 127.281 122.820 -0.095 0.000 2.340 108 A HA 0.749 5.068 4.320 -0.001 0.000 0.268 108 A C -0.314 177.243 177.584 -0.044 0.000 1.100 108 A CA -0.321 51.706 52.037 -0.018 0.000 0.803 108 A CB 0.876 19.904 19.000 0.047 0.000 1.043 108 A HN 0.733 nan 8.150 nan 0.000 0.488 109 V N 1.526 121.417 119.914 -0.038 0.000 2.394 109 V HA 0.617 4.736 4.120 -0.001 0.000 0.282 109 V C 0.449 176.464 176.094 -0.132 0.000 1.031 109 V CA 0.063 62.322 62.300 -0.069 0.000 0.881 109 V CB 1.004 32.796 31.823 -0.052 0.000 0.982 109 V HN 1.156 nan 8.190 nan 0.000 0.451 110 A N 5.399 128.088 122.820 -0.219 0.000 2.343 110 A HA 0.771 5.090 4.320 -0.001 0.000 0.308 110 A C -0.956 176.352 177.584 -0.460 0.000 1.092 110 A CA -0.543 51.227 52.037 -0.445 0.000 0.751 110 A CB 1.278 19.807 19.000 -0.785 0.000 1.203 110 A HN 0.887 nan 8.150 nan 0.000 0.452 111 L N 2.743 123.701 121.223 -0.442 0.000 2.261 111 L HA 0.351 4.690 4.340 -0.001 0.000 0.289 111 L C -0.754 175.915 176.870 -0.334 0.000 1.059 111 L CA -0.449 54.164 54.840 -0.379 0.000 0.816 111 L CB 0.626 42.377 42.059 -0.513 0.000 1.191 111 L HN 0.698 nan 8.230 nan 0.000 0.431 112 D N 3.955 124.276 120.400 -0.132 0.000 2.359 112 D HA 0.111 4.750 4.640 -0.001 0.000 0.230 112 D C -0.083 176.292 176.300 0.125 0.000 1.118 112 D CA -0.156 53.859 54.000 0.025 0.000 0.844 112 D CB 1.433 42.295 40.800 0.104 0.000 1.059 112 D HN 0.449 nan 8.370 nan 0.000 0.493 113 T N 2.866 117.468 114.554 0.079 0.000 2.855 113 T HA -0.044 4.305 4.350 -0.001 0.000 0.322 113 T C 1.437 176.244 174.700 0.178 0.000 1.088 113 T CA 0.338 62.497 62.100 0.098 0.000 1.104 113 T CB 1.050 69.969 68.868 0.086 0.000 0.996 113 T HN 0.397 nan 8.240 nan 0.000 0.549 114 K N 1.136 121.647 120.400 0.186 0.000 2.029 114 K HA 0.293 4.613 4.320 -0.001 0.000 0.205 114 K C 1.157 177.887 176.600 0.217 0.000 1.042 114 K CA 0.897 57.306 56.287 0.203 0.000 0.949 114 K CB -0.510 32.103 32.500 0.189 0.000 0.740 114 K HN 0.960 nan 8.250 nan 0.000 0.442 115 G N 0.608 109.518 108.800 0.183 0.000 2.796 115 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.226 115 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.226 115 G C -2.528 172.452 174.900 0.133 0.000 1.381 115 G CA -0.458 44.758 45.100 0.193 0.000 0.867 115 G HN 0.163 nan 8.290 nan 0.000 0.552 116 P HA 0.218 nan 4.420 nan 0.000 0.244 116 P C -0.055 177.086 177.300 -0.265 0.000 1.723 116 P CA 0.786 63.843 63.100 -0.071 0.000 1.110 116 P CB -0.635 31.009 31.700 -0.093 0.000 1.972 117 E N 1.122 121.232 120.200 -0.149 0.000 2.359 117 E HA 0.618 4.967 4.350 -0.001 0.000 0.266 117 E C -0.941 175.589 176.600 -0.115 0.000 0.920 117 E CA -1.277 55.000 56.400 -0.205 0.000 0.788 117 E CB 1.597 31.323 29.700 0.042 0.000 1.279 117 E HN 0.011 nan 8.360 nan 0.000 0.438 118 I N 1.775 122.263 120.570 -0.137 0.000 2.330 118 I HA 0.347 4.516 4.170 -0.001 0.000 0.289 118 I C -0.162 175.940 176.117 -0.024 0.000 1.001 118 I CA -0.788 60.453 61.300 -0.098 0.000 1.193 118 I CB 0.818 38.715 38.000 -0.171 0.000 1.345 118 I HN 0.273 nan 8.210 nan 0.000 0.461 119 R N 3.676 124.175 120.500 -0.001 0.000 2.778 119 R HA 0.563 4.903 4.340 -0.001 0.000 0.277 119 R C -0.324 175.994 176.300 0.031 0.000 0.977 119 R CA -0.778 55.340 56.100 0.030 0.000 0.950 119 R CB 1.992 32.322 30.300 0.050 0.000 1.165 119 R HN 0.413 nan 8.270 nan 0.000 0.474 120 T N 0.119 114.723 114.554 0.082 0.000 2.874 120 T HA 0.422 4.771 4.350 -0.001 0.000 0.281 120 T C 0.671 175.547 174.700 0.293 0.000 0.994 120 T CA -0.109 62.079 62.100 0.146 0.000 1.015 120 T CB 1.279 70.219 68.868 0.120 0.000 1.028 120 T HN 0.646 nan 8.240 nan 0.000 0.523 121 G N 0.502 109.569 108.800 0.444 0.000 2.582 121 G HA2 0.544 4.503 3.960 -0.001 0.000 0.232 121 G HA3 0.544 4.503 3.960 -0.001 0.000 0.232 121 G C -0.815 174.185 174.900 0.167 0.000 1.458 121 G CA -0.640 44.710 45.100 0.416 0.000 1.062 121 G HN 0.634 nan 8.290 nan 0.000 0.566 122 L N 1.013 122.278 121.223 0.070 0.000 2.272 122 L HA 0.328 4.668 4.340 -0.001 0.000 0.289 122 L C -0.098 176.801 176.870 0.048 0.000 1.032 122 L CA -0.684 54.177 54.840 0.035 0.000 0.810 122 L CB 1.475 43.520 42.059 -0.023 0.000 1.205 122 L HN 0.246 nan 8.230 nan 0.000 0.422 123 I N 4.901 125.509 120.570 0.062 0.000 2.505 123 I HA -0.043 4.126 4.170 -0.001 0.000 0.287 123 I C 0.945 177.086 176.117 0.041 0.000 1.104 123 I CA 0.113 61.450 61.300 0.063 0.000 1.387 123 I CB 0.314 38.359 38.000 0.076 0.000 1.404 123 I HN 0.694 nan 8.210 nan 0.000 0.528 124 K N 4.624 125.045 120.400 0.035 0.000 2.948 124 K HA -0.250 4.069 4.320 -0.001 0.000 0.253 124 K C 1.012 177.614 176.600 0.003 0.000 0.970 124 K CA 0.688 56.986 56.287 0.019 0.000 0.716 124 K CB -1.570 30.945 32.500 0.025 0.000 1.249 124 K HN 1.129 nan 8.250 nan 0.000 0.483 125 G N -0.506 108.288 108.800 -0.010 0.000 2.168 125 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.257 125 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.257 125 G C -0.076 174.814 174.900 -0.017 0.000 0.997 125 G CA 0.477 45.561 45.100 -0.028 0.000 0.708 125 G HN 0.582 nan 8.290 nan 0.000 0.520 126 S N -0.763 114.936 115.700 -0.001 0.000 2.478 126 S HA 0.624 5.094 4.470 -0.001 0.000 0.312 126 S C 1.411 176.016 174.600 0.008 0.000 1.094 126 S CA 0.668 58.871 58.200 0.005 0.000 1.081 126 S CB 1.274 64.484 63.200 0.018 0.000 1.007 126 S HN 1.208 nan 8.310 nan 0.000 0.475 127 G N 2.059 110.853 108.800 -0.009 0.000 2.776 127 G HA2 0.012 3.971 3.960 -0.001 0.000 0.209 127 G HA3 0.012 3.971 3.960 -0.001 0.000 0.209 127 G C 1.008 175.916 174.900 0.013 0.000 1.145 127 G CA 0.933 46.024 45.100 -0.014 0.000 0.791 127 G HN 0.868 nan 8.290 nan 0.000 0.530 128 T N -3.361 111.205 114.554 0.020 0.000 3.091 128 T HA 0.646 4.995 4.350 -0.001 0.000 0.277 128 T C 0.841 175.567 174.700 0.042 0.000 0.996 128 T CA 0.447 62.564 62.100 0.028 0.000 0.897 128 T CB 0.600 69.482 68.868 0.024 0.000 1.109 128 T HN 0.269 nan 8.240 nan 0.000 0.534 129 A N 1.589 124.438 122.820 0.049 0.000 2.302 129 A HA 0.721 5.040 4.320 -0.001 0.000 0.285 129 A C 0.096 177.733 177.584 0.089 0.000 1.105 129 A CA -0.643 51.431 52.037 0.062 0.000 0.816 129 A CB 0.616 19.647 19.000 0.051 0.000 1.067 129 A HN 0.699 nan 8.150 nan 0.000 0.489 130 E N 0.115 120.383 120.200 0.113 0.000 2.412 130 E HA 0.631 4.981 4.350 -0.001 0.000 0.279 130 E C -2.261 174.447 176.600 0.181 0.000 0.984 130 E CA -0.647 55.852 56.400 0.165 0.000 0.788 130 E CB 1.863 31.692 29.700 0.216 0.000 1.277 130 E HN 0.678 nan 8.360 nan 0.000 0.455 131 V N 1.001 121.010 119.914 0.158 0.000 3.049 131 V HA 0.353 4.472 4.120 -0.001 0.000 0.309 131 V C -1.396 174.584 176.094 -0.190 0.000 1.148 131 V CA -0.630 61.688 62.300 0.029 0.000 0.990 131 V CB 2.010 33.840 31.823 0.011 0.000 1.039 131 V HN 0.811 nan 8.190 nan 0.000 0.430 132 E N 4.616 124.540 120.200 -0.461 0.000 2.081 132 E HA 0.404 4.753 4.350 -0.001 0.000 0.281 132 E C -1.164 175.213 176.600 -0.371 0.000 0.986 132 E CA -0.689 55.223 56.400 -0.814 0.000 0.796 132 E CB 0.950 29.913 29.700 -1.229 0.000 1.085 132 E HN 0.432 nan 8.360 nan 0.000 0.398 133 L N 3.629 124.702 121.223 -0.249 0.000 2.453 133 L HA 0.338 4.678 4.340 -0.001 0.000 0.261 133 L C 0.691 177.493 176.870 -0.113 0.000 1.179 133 L CA 0.156 54.920 54.840 -0.127 0.000 0.813 133 L CB 0.227 42.249 42.059 -0.061 0.000 1.110 133 L HN 0.546 nan 8.230 nan 0.000 0.466 134 K N 0.685 121.043 120.400 -0.069 0.000 2.281 134 K HA 0.339 4.658 4.320 -0.001 0.000 0.242 134 K C -0.624 175.960 176.600 -0.027 0.000 0.971 134 K CA -1.029 55.229 56.287 -0.049 0.000 0.834 134 K CB 2.266 34.739 32.500 -0.044 0.000 1.181 134 K HN 0.401 nan 8.250 nan 0.000 0.435 135 K N 0.004 120.394 120.400 -0.016 0.000 2.339 135 K HA 0.156 4.475 4.320 -0.001 0.000 0.286 135 K C 0.600 177.194 176.600 -0.009 0.000 1.050 135 K CA 0.973 57.256 56.287 -0.007 0.000 0.956 135 K CB 0.277 32.778 32.500 0.001 0.000 0.990 135 K HN 0.771 nan 8.250 nan 0.000 0.475 136 G N 1.984 110.778 108.800 -0.009 0.000 2.176 136 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.253 136 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.253 136 G C 0.126 175.020 174.900 -0.010 0.000 0.979 136 G CA 0.096 45.191 45.100 -0.009 0.000 0.641 136 G HN 0.899 nan 8.290 nan 0.000 0.530 137 A N -0.115 122.697 122.820 -0.013 0.000 2.287 137 A HA 0.813 5.132 4.320 -0.001 0.000 0.273 137 A C 0.782 178.360 177.584 -0.010 0.000 1.091 137 A CA 1.071 53.100 52.037 -0.013 0.000 0.817 137 A CB 0.625 19.614 19.000 -0.018 0.000 1.069 137 A HN 1.748 nan 8.150 nan 0.000 0.492 138 T N -0.441 114.109 114.554 -0.007 0.000 2.902 138 T HA 0.583 4.932 4.350 -0.001 0.000 0.283 138 T C -0.806 173.895 174.700 0.002 0.000 1.009 138 T CA -0.417 61.682 62.100 -0.001 0.000 1.051 138 T CB 0.585 69.457 68.868 0.005 0.000 0.999 138 T HN 0.885 nan 8.240 nan 0.000 0.474 139 L N 2.815 124.042 121.223 0.008 0.000 2.464 139 L HA 0.632 4.972 4.340 -0.001 0.000 0.266 139 L C -0.803 176.088 176.870 0.034 0.000 0.965 139 L CA -0.591 54.258 54.840 0.014 0.000 0.833 139 L CB 2.089 44.153 42.059 0.008 0.000 1.296 139 L HN 0.890 nan 8.230 nan 0.000 0.405 140 K N 5.434 125.861 120.400 0.046 0.000 2.206 140 K HA 0.672 4.991 4.320 -0.001 0.000 0.264 140 K C -1.460 175.190 176.600 0.083 0.000 0.967 140 K CA -0.510 55.835 56.287 0.096 0.000 0.844 140 K CB 1.068 33.630 32.500 0.103 0.000 1.099 140 K HN 0.663 nan 8.250 nan 0.000 0.441 141 I N 3.149 123.779 120.570 0.099 0.000 2.339 141 I HA 0.207 4.376 4.170 -0.001 0.000 0.290 141 I C 0.275 176.453 176.117 0.101 0.000 0.994 141 I CA -0.578 60.757 61.300 0.059 0.000 1.191 141 I CB 1.830 39.830 38.000 0.001 0.000 1.343 141 I HN 0.627 nan 8.210 nan 0.000 0.458 142 T N 5.190 119.793 114.554 0.082 0.000 2.905 142 T HA 0.682 5.032 4.350 -0.001 0.000 0.283 142 T C 0.377 175.094 174.700 0.028 0.000 1.031 142 T CA -0.433 61.730 62.100 0.106 0.000 1.002 142 T CB 1.203 70.106 68.868 0.058 0.000 1.200 142 T HN 0.537 nan 8.240 nan 0.000 0.560 143 L N 0.598 121.878 121.223 0.095 0.000 3.135 143 L HA 0.401 4.740 4.340 -0.001 0.000 0.279 143 L C 0.204 177.337 176.870 0.439 0.000 1.200 143 L CA -0.291 54.578 54.840 0.049 0.000 1.016 143 L CB 0.578 42.615 42.059 -0.037 0.000 1.391 143 L HN 0.467 nan 8.230 nan 0.000 0.588 144 D N 1.365 122.043 120.400 0.465 0.000 2.357 144 D HA -0.034 4.605 4.640 -0.001 0.000 0.265 144 D C 1.082 177.691 176.300 0.515 0.000 1.334 144 D CA 0.488 54.767 54.000 0.465 0.000 0.984 144 D CB 0.203 41.280 40.800 0.462 0.000 1.077 144 D HN 0.171 nan 8.370 nan 0.000 0.514 145 N N 2.668 121.574 118.700 0.342 0.000 2.242 145 N HA -0.263 4.476 4.740 -0.001 0.000 0.191 145 N C 1.215 176.600 175.510 -0.207 0.000 1.005 145 N CA 0.965 54.000 53.050 -0.026 0.000 0.877 145 N CB 0.067 38.562 38.487 0.013 0.000 0.983 145 N HN 0.443 nan 8.380 nan 0.000 0.439 146 A N -0.329 122.437 122.820 -0.090 0.000 2.277 146 A HA -0.102 4.217 4.320 -0.001 0.000 0.208 146 A C 0.379 177.419 177.584 -0.906 0.000 1.202 146 A CA 0.885 52.688 52.037 -0.390 0.000 0.762 146 A CB -0.380 18.422 19.000 -0.330 0.000 0.770 146 A HN 0.444 nan 8.150 nan 0.000 0.487 147 Y N -3.503 116.700 120.300 -0.162 0.000 2.666 147 Y HA 0.264 4.814 4.550 -0.001 0.000 0.260 147 Y C 1.701 177.410 175.900 -0.317 0.000 1.089 147 Y CA -0.428 57.599 58.100 -0.121 0.000 1.246 147 Y CB -0.259 38.238 38.460 0.060 0.000 1.353 147 Y HN 0.186 nan 8.280 nan 0.000 0.558 148 M N 0.442 119.608 119.600 -0.724 0.000 2.088 148 M HA -0.289 4.190 4.480 -0.001 0.000 0.256 148 M C 0.632 176.578 176.300 -0.591 0.000 1.071 148 M CA 2.247 56.735 55.300 -1.354 0.000 1.097 148 M CB -0.006 31.891 32.600 -1.172 0.000 1.315 148 M HN 0.311 nan 8.290 nan 0.000 0.406 149 E N -0.875 119.110 120.200 -0.357 0.000 2.499 149 E HA 0.052 4.401 4.350 -0.001 0.000 0.199 149 E C 0.010 176.552 176.600 -0.098 0.000 1.016 149 E CA -0.087 56.201 56.400 -0.185 0.000 0.933 149 E CB 0.435 30.035 29.700 -0.166 0.000 1.050 149 E HN 0.255 nan 8.360 nan 0.000 0.462 150 K N 0.593 120.953 120.400 -0.066 0.000 2.726 150 K HA 0.214 4.534 4.320 -0.001 0.000 0.209 150 K C -0.403 176.269 176.600 0.120 0.000 1.082 150 K CA -0.184 56.115 56.287 0.020 0.000 1.081 150 K CB 0.310 32.801 32.500 -0.015 0.000 0.830 150 K HN 0.102 nan 8.250 nan 0.000 0.470 151 C N 2.355 121.722 119.300 0.111 0.000 2.605 151 C HA 0.363 4.822 4.460 -0.001 0.000 0.404 151 C C 0.679 175.728 174.990 0.098 0.000 1.284 151 C CA -0.548 58.553 59.018 0.138 0.000 2.199 151 C CB -0.109 27.730 27.740 0.164 0.000 2.647 151 C HN 0.662 nan 8.230 nan 0.000 0.604 152 D N -0.598 119.856 120.400 0.090 0.000 2.851 152 D HA 0.127 4.766 4.640 -0.001 0.000 0.339 152 D C 0.311 176.637 176.300 0.044 0.000 1.347 152 D CA -0.676 53.361 54.000 0.061 0.000 0.888 152 D CB -0.008 40.826 40.800 0.056 0.000 1.431 152 D HN 0.557 nan 8.370 nan 0.000 0.509 153 E N -0.324 119.889 120.200 0.022 0.000 2.333 153 E HA -0.157 4.192 4.350 -0.001 0.000 0.200 153 E C 0.480 177.083 176.600 0.005 0.000 1.010 153 E CA 1.668 58.069 56.400 0.002 0.000 0.841 153 E CB -0.642 29.049 29.700 -0.014 0.000 0.757 153 E HN 0.468 nan 8.360 nan 0.000 0.508 154 N N -0.348 118.362 118.700 0.016 0.000 2.297 154 N HA 0.275 5.014 4.740 -0.001 0.000 0.208 154 N C -0.434 175.082 175.510 0.010 0.000 1.176 154 N CA -0.072 52.983 53.050 0.009 0.000 0.882 154 N CB 1.109 39.597 38.487 0.002 0.000 1.134 154 N HN -0.012 nan 8.380 nan 0.000 0.489 155 I N 1.522 122.110 120.570 0.031 0.000 2.512 155 I HA 0.291 4.460 4.170 -0.001 0.000 0.287 155 I C -1.413 174.761 176.117 0.096 0.000 1.069 155 I CA -0.491 60.830 61.300 0.035 0.000 1.056 155 I CB 2.705 40.693 38.000 -0.019 0.000 1.229 155 I HN -0.060 nan 8.210 nan 0.000 0.429 156 L N 6.172 127.455 121.223 0.099 0.000 2.319 156 L HA 0.442 4.782 4.340 -0.001 0.000 0.281 156 L C -1.407 175.569 176.870 0.176 0.000 1.005 156 L CA -0.527 54.396 54.840 0.137 0.000 0.828 156 L CB 1.594 43.704 42.059 0.086 0.000 1.227 156 L HN 0.724 nan 8.230 nan 0.000 0.415 157 W N 6.741 128.079 121.300 0.064 0.000 2.390 157 W HA 0.498 5.158 4.660 -0.001 0.000 0.312 157 W C -1.435 175.124 176.519 0.067 0.000 1.123 157 W CA -0.379 57.012 57.345 0.077 0.000 1.202 157 W CB 1.045 30.573 29.460 0.114 0.000 1.251 157 W HN 0.253 nan 8.180 nan 0.000 0.511 158 L N 5.387 126.039 121.223 -0.953 0.000 2.286 158 L HA 0.304 4.643 4.340 -0.001 0.000 0.265 158 L C 0.866 176.799 176.870 -1.561 0.000 1.012 158 L CA -0.354 53.949 54.840 -0.896 0.000 0.818 158 L CB 1.711 43.522 42.059 -0.413 0.000 1.337 158 L HN 0.637 nan 8.230 nan 0.000 0.438 159 D N -1.139 118.784 120.400 -0.795 0.000 2.395 159 D HA -0.047 4.593 4.640 -0.001 0.000 0.213 159 D C -0.367 175.855 176.300 -0.131 0.000 1.110 159 D CA 0.057 53.777 54.000 -0.467 0.000 0.835 159 D CB -0.129 40.615 40.800 -0.093 0.000 0.965 159 D HN 0.280 nan 8.370 nan 0.000 0.505 160 Y N 2.214 122.351 120.300 -0.273 0.000 2.491 160 Y HA 0.293 4.842 4.550 -0.001 0.000 0.334 160 Y C 1.265 177.077 175.900 -0.147 0.000 0.969 160 Y CA -1.047 56.956 58.100 -0.162 0.000 1.241 160 Y CB 1.104 39.483 38.460 -0.135 0.000 1.105 160 Y HN -0.304 nan 8.280 nan 0.000 0.503 161 K N 2.572 122.696 120.400 -0.459 0.000 2.020 161 K HA -0.261 4.059 4.320 -0.001 0.000 0.212 161 K C 1.010 177.331 176.600 -0.464 0.000 1.050 161 K CA 1.930 57.990 56.287 -0.378 0.000 0.929 161 K CB -0.124 32.220 32.500 -0.259 0.000 0.714 161 K HN 0.728 nan 8.250 nan 0.000 0.443 162 N N 1.007 119.200 118.700 -0.846 0.000 2.609 162 N HA -0.036 4.703 4.740 -0.001 0.000 0.190 162 N C 0.639 176.052 175.510 -0.162 0.000 1.157 162 N CA -0.217 52.572 53.050 -0.434 0.000 0.918 162 N CB -0.020 38.145 38.487 -0.537 0.000 0.978 162 N HN 0.143 nan 8.380 nan 0.000 0.448 163 I N 0.447 120.959 120.570 -0.096 0.000 2.426 163 I HA -0.052 4.117 4.170 -0.001 0.000 0.282 163 I C 0.145 176.263 176.117 0.002 0.000 1.064 163 I CA -0.016 61.380 61.300 0.161 0.000 2.047 163 I CB -0.410 37.775 38.000 0.309 0.000 1.497 163 I HN 0.260 nan 8.210 nan 0.000 0.899 164 C N 2.278 121.557 119.300 -0.035 0.000 3.296 164 C HA 0.042 4.501 4.460 -0.001 0.000 0.561 164 C C 2.301 177.255 174.990 -0.060 0.000 1.292 164 C CA 0.004 58.978 59.018 -0.073 0.000 2.601 164 C CB 0.002 27.689 27.740 -0.088 0.000 3.617 164 C HN 0.771 nan 8.230 nan 0.000 0.502 165 K N 0.737 121.112 120.400 -0.042 0.000 2.076 165 K HA 0.005 4.324 4.320 -0.001 0.000 0.204 165 K C 1.548 178.144 176.600 -0.005 0.000 1.051 165 K CA 1.554 57.823 56.287 -0.029 0.000 0.949 165 K CB -0.295 32.184 32.500 -0.034 0.000 0.726 165 K HN 0.249 nan 8.250 nan 0.000 0.443 166 V N 1.268 121.199 119.914 0.028 0.000 2.970 166 V HA -0.004 4.115 4.120 -0.001 0.000 0.260 166 V C 0.890 176.991 176.094 0.011 0.000 1.100 166 V CA 0.965 63.296 62.300 0.051 0.000 1.122 166 V CB 0.624 32.540 31.823 0.155 0.000 0.721 166 V HN 0.368 nan 8.190 nan 0.000 0.483 167 V N -0.550 119.358 119.914 -0.010 0.000 3.102 167 V HA 0.632 4.752 4.120 -0.001 0.000 0.312 167 V C -1.696 174.370 176.094 -0.048 0.000 1.135 167 V CA -0.779 61.502 62.300 -0.032 0.000 1.022 167 V CB 2.495 34.292 31.823 -0.044 0.000 1.056 167 V HN 0.327 nan 8.190 nan 0.000 0.436 168 D N 2.048 122.418 120.400 -0.051 0.000 2.531 168 D HA 0.440 5.079 4.640 -0.001 0.000 0.244 168 D C -0.549 175.712 176.300 -0.066 0.000 1.090 168 D CA -0.483 53.482 54.000 -0.058 0.000 0.989 168 D CB 1.978 42.750 40.800 -0.045 0.000 1.433 168 D HN 0.490 nan 8.370 nan 0.000 0.492 169 V N 0.402 120.275 119.914 -0.068 0.000 2.788 169 V HA 0.302 4.421 4.120 -0.001 0.000 0.307 169 V C 1.661 177.724 176.094 -0.053 0.000 1.069 169 V CA 2.056 64.316 62.300 -0.066 0.000 1.173 169 V CB 0.421 32.207 31.823 -0.061 0.000 0.925 169 V HN 1.021 nan 8.190 nan 0.000 0.492 170 G N 3.621 112.389 108.800 -0.053 0.000 2.299 170 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.237 170 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.237 170 G C 0.607 175.477 174.900 -0.051 0.000 1.027 170 G CA 0.270 45.344 45.100 -0.045 0.000 0.619 170 G HN 0.808 nan 8.290 nan 0.000 0.513 171 S N 0.165 115.831 115.700 -0.057 0.000 2.687 171 S HA 0.473 4.942 4.470 -0.001 0.000 0.248 171 S C 0.362 174.903 174.600 -0.098 0.000 1.390 171 S CA 0.704 58.867 58.200 -0.062 0.000 0.963 171 S CB 0.658 63.823 63.200 -0.060 0.000 0.957 171 S HN 0.569 nan 8.310 nan 0.000 0.584 172 K N 0.354 120.674 120.400 -0.133 0.000 2.443 172 K HA 0.558 4.877 4.320 -0.001 0.000 0.252 172 K C -1.706 174.673 176.600 -0.368 0.000 0.933 172 K CA -0.381 55.740 56.287 -0.276 0.000 0.792 172 K CB 1.793 34.078 32.500 -0.358 0.000 1.185 172 K HN 0.301 nan 8.250 nan 0.000 0.425 173 V N 3.605 123.284 119.914 -0.392 0.000 2.459 173 V HA 0.449 4.569 4.120 -0.001 0.000 0.295 173 V C -1.049 174.795 176.094 -0.417 0.000 1.029 173 V CA -0.907 61.214 62.300 -0.299 0.000 0.874 173 V CB 0.851 32.586 31.823 -0.148 0.000 0.985 173 V HN 0.580 nan 8.190 nan 0.000 0.438 174 Y N 2.807 123.105 120.300 -0.003 0.000 2.331 174 Y HA 0.653 5.202 4.550 -0.001 0.000 0.338 174 Y C 0.056 175.968 175.900 0.020 0.000 0.992 174 Y CA -0.946 57.161 58.100 0.012 0.000 1.121 174 Y CB 1.893 40.364 38.460 0.018 0.000 1.184 174 Y HN 0.436 nan 8.280 nan 0.000 0.469 175 V N 2.027 122.047 119.914 0.176 0.000 2.417 175 V HA 0.358 4.477 4.120 -0.001 0.000 0.291 175 V C -0.527 175.653 176.094 0.143 0.000 1.024 175 V CA -1.240 61.138 62.300 0.130 0.000 0.861 175 V CB 1.385 33.261 31.823 0.088 0.000 0.985 175 V HN 0.816 nan 8.190 nan 0.000 0.436 176 D N 3.802 124.282 120.400 0.134 0.000 3.729 176 D HA -0.152 4.487 4.640 -0.001 0.000 0.242 176 D C 0.352 176.724 176.300 0.119 0.000 1.091 176 D CA 0.827 54.905 54.000 0.130 0.000 1.096 176 D CB -0.591 40.285 40.800 0.127 0.000 0.901 176 D HN 0.972 nan 8.370 nan 0.000 0.416 177 D N 0.946 121.412 120.400 0.110 0.000 2.739 177 D HA -0.195 4.444 4.640 -0.001 0.000 0.230 177 D C 1.297 177.626 176.300 0.047 0.000 1.167 177 D CA 2.380 56.425 54.000 0.074 0.000 0.640 177 D CB -1.328 39.508 40.800 0.060 0.000 1.045 177 D HN 1.011 nan 8.370 nan 0.000 0.421 178 G N -1.470 107.383 108.800 0.087 0.000 2.157 178 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.248 178 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.248 178 G C 0.876 175.862 174.900 0.144 0.000 0.979 178 G CA 0.498 45.650 45.100 0.086 0.000 0.650 178 G HN 0.454 nan 8.290 nan 0.000 0.529 179 L N 0.540 121.842 121.223 0.132 0.000 1.994 179 L HA 0.273 4.612 4.340 -0.001 0.000 0.208 179 L C 1.398 178.351 176.870 0.137 0.000 1.071 179 L CA 1.823 56.736 54.840 0.122 0.000 0.745 179 L CB -0.230 41.900 42.059 0.118 0.000 0.892 179 L HN 0.370 nan 8.230 nan 0.000 0.431 180 I N -0.192 120.467 120.570 0.148 0.000 2.441 180 I HA 0.241 4.411 4.170 -0.001 0.000 0.295 180 I C -0.060 176.137 176.117 0.134 0.000 0.994 180 I CA -0.251 61.120 61.300 0.119 0.000 1.144 180 I CB 1.208 39.252 38.000 0.074 0.000 1.314 180 I HN 0.089 nan 8.210 nan 0.000 0.445 181 S N 7.796 123.533 115.700 0.061 0.000 2.566 181 S HA 0.644 5.113 4.470 -0.001 0.000 0.324 181 S C -0.835 173.672 174.600 -0.156 0.000 1.081 181 S CA -0.640 57.487 58.200 -0.122 0.000 1.105 181 S CB 0.267 63.465 63.200 -0.003 0.000 0.981 181 S HN 0.476 nan 8.310 nan 0.000 0.464 182 L N 4.373 125.458 121.223 -0.229 0.000 2.317 182 L HA 0.558 4.897 4.340 -0.001 0.000 0.281 182 L C 0.159 176.920 176.870 -0.182 0.000 1.024 182 L CA -0.683 54.064 54.840 -0.154 0.000 0.810 182 L CB 1.793 43.790 42.059 -0.105 0.000 1.240 182 L HN 0.621 nan 8.230 nan 0.000 0.427 183 Q N 2.308 122.035 119.800 -0.122 0.000 2.340 183 Q HA 0.329 4.668 4.340 -0.001 0.000 0.259 183 Q C -0.943 175.006 176.000 -0.086 0.000 0.964 183 Q CA -0.723 55.015 55.803 -0.108 0.000 0.900 183 Q CB 1.947 30.638 28.738 -0.079 0.000 1.228 183 Q HN 0.478 nan 8.270 nan 0.000 0.449 184 V N 5.391 125.249 119.914 -0.093 0.000 2.509 184 V HA -0.098 4.022 4.120 -0.001 0.000 0.297 184 V C 0.959 177.010 176.094 -0.073 0.000 1.014 184 V CA 1.037 63.284 62.300 -0.088 0.000 1.127 184 V CB 0.587 32.353 31.823 -0.095 0.000 0.925 184 V HN 0.869 nan 8.190 nan 0.000 0.480 185 K N 2.647 123.007 120.400 -0.066 0.000 2.435 185 K HA 0.278 4.597 4.320 -0.001 0.000 0.199 185 K C 0.190 176.759 176.600 -0.052 0.000 1.153 185 K CA 0.169 56.427 56.287 -0.048 0.000 0.974 185 K CB 0.667 33.150 32.500 -0.029 0.000 0.997 185 K HN 0.757 nan 8.250 nan 0.000 0.547 186 Q N 0.232 119.982 119.800 -0.083 0.000 2.320 186 Q HA 0.291 4.631 4.340 -0.001 0.000 0.272 186 Q C -1.650 174.191 176.000 -0.265 0.000 1.023 186 Q CA -0.685 55.055 55.803 -0.106 0.000 0.855 186 Q CB 2.602 31.333 28.738 -0.012 0.000 1.367 186 Q HN -0.169 nan 8.270 nan 0.000 0.406 187 K N 0.886 121.123 120.400 -0.272 0.000 2.164 187 K HA 0.775 5.094 4.320 -0.001 0.000 0.258 187 K C -0.420 175.889 176.600 -0.484 0.000 0.951 187 K CA -0.688 55.360 56.287 -0.399 0.000 0.844 187 K CB 2.009 34.371 32.500 -0.229 0.000 1.099 187 K HN 0.741 nan 8.250 nan 0.000 0.435 188 G N 1.330 109.676 108.800 -0.756 0.000 2.569 188 G HA2 0.409 4.369 3.960 -0.001 0.000 0.300 188 G HA3 0.409 4.369 3.960 -0.001 0.000 0.300 188 G C -2.160 172.643 174.900 -0.161 0.000 1.269 188 G CA -1.244 43.603 45.100 -0.421 0.000 0.959 188 G HN 0.219 nan 8.290 nan 0.000 0.478 189 P HA 0.064 nan 4.420 nan 0.000 0.225 189 P C 0.332 177.649 177.300 0.028 0.000 1.156 189 P CA 1.065 64.169 63.100 0.008 0.000 0.787 189 P CB 0.624 32.346 31.700 0.038 0.000 0.802 190 D N -2.345 118.130 120.400 0.126 0.000 2.469 190 D HA 0.199 4.838 4.640 -0.001 0.000 0.213 190 D C -0.145 176.288 176.300 0.222 0.000 1.135 190 D CA -0.185 53.902 54.000 0.145 0.000 0.834 190 D CB 0.547 41.447 40.800 0.167 0.000 1.009 190 D HN 0.029 nan 8.370 nan 0.000 0.507 191 F N -0.520 119.405 119.950 -0.041 0.000 2.858 191 F HA 0.526 5.052 4.527 -0.001 0.000 0.319 191 F C -2.508 173.265 175.800 -0.046 0.000 1.166 191 F CA -1.369 56.602 58.000 -0.049 0.000 0.899 191 F CB 0.712 39.682 39.000 -0.050 0.000 1.332 191 F HN -0.341 nan 8.300 nan 0.000 0.461 192 L N 2.087 123.137 121.223 -0.287 0.000 2.434 192 L HA 0.666 5.005 4.340 -0.001 0.000 0.260 192 L C -1.161 175.698 176.870 -0.019 0.000 0.983 192 L CA -1.101 53.466 54.840 -0.455 0.000 0.820 192 L CB 1.207 43.109 42.059 -0.262 0.000 1.361 192 L HN 0.673 nan 8.230 nan 0.000 0.410 193 V N 1.587 121.481 119.914 -0.033 0.000 2.333 193 V HA 0.575 4.694 4.120 -0.001 0.000 0.274 193 V C 0.581 176.677 176.094 0.002 0.000 1.028 193 V CA -0.067 62.291 62.300 0.097 0.000 0.851 193 V CB 1.687 33.623 31.823 0.187 0.000 1.000 193 V HN 1.048 nan 8.190 nan 0.000 0.456 194 T N 2.067 116.624 114.554 0.005 0.000 2.927 194 T HA 0.729 5.078 4.350 -0.001 0.000 0.286 194 T C -0.692 173.999 174.700 -0.015 0.000 1.040 194 T CA -0.733 61.353 62.100 -0.023 0.000 1.010 194 T CB 2.373 71.218 68.868 -0.038 0.000 1.177 194 T HN 0.617 nan 8.240 nan 0.000 0.546 195 E N 0.427 120.610 120.200 -0.028 0.000 2.248 195 E HA 0.554 4.903 4.350 -0.001 0.000 0.267 195 E C -1.272 175.310 176.600 -0.030 0.000 0.877 195 E CA -1.045 55.341 56.400 -0.023 0.000 0.759 195 E CB 2.070 31.756 29.700 -0.023 0.000 1.182 195 E HN 0.575 nan 8.360 nan 0.000 0.418 196 V N 4.877 124.777 119.914 -0.023 0.000 2.415 196 V HA 0.036 4.155 4.120 -0.001 0.000 0.267 196 V C 0.994 177.077 176.094 -0.018 0.000 1.042 196 V CA 0.271 62.558 62.300 -0.022 0.000 1.000 196 V CB 0.870 32.682 31.823 -0.017 0.000 1.015 196 V HN 0.855 nan 8.190 nan 0.000 0.478 197 E N 3.552 123.739 120.200 -0.022 0.000 2.158 197 E HA -0.049 4.301 4.350 -0.001 0.000 0.191 197 E C 0.470 177.074 176.600 0.007 0.000 0.982 197 E CA 0.966 57.359 56.400 -0.012 0.000 0.823 197 E CB 0.255 29.942 29.700 -0.022 0.000 0.766 197 E HN 0.968 nan 8.360 nan 0.000 0.468 198 N N -1.061 117.647 118.700 0.014 0.000 2.287 198 N HA 0.317 5.056 4.740 -0.001 0.000 0.289 198 N C -0.246 175.277 175.510 0.023 0.000 1.066 198 N CA -0.640 52.426 53.050 0.027 0.000 0.841 198 N CB 1.797 40.313 38.487 0.048 0.000 1.599 198 N HN -0.071 nan 8.380 nan 0.000 0.476 199 G N -0.147 108.664 108.800 0.018 0.000 2.684 199 G HA2 0.571 4.531 3.960 -0.001 0.000 0.255 199 G HA3 0.571 4.531 3.960 -0.001 0.000 0.255 199 G C 0.213 175.129 174.900 0.027 0.000 1.219 199 G CA -0.009 45.093 45.100 0.003 0.000 0.901 199 G HN 1.061 nan 8.290 nan 0.000 0.548 200 G N -2.031 106.763 108.800 -0.009 0.000 2.356 200 G HA2 0.393 4.352 3.960 -0.001 0.000 0.300 200 G HA3 0.393 4.352 3.960 -0.001 0.000 0.300 200 G C -0.858 174.021 174.900 -0.034 0.000 1.331 200 G CA -0.914 44.231 45.100 0.075 0.000 0.905 200 G HN 0.440 nan 8.290 nan 0.000 0.587 201 F N -0.768 119.207 119.950 0.041 0.000 2.139 201 F HA 0.879 5.405 4.527 -0.001 0.000 0.273 201 F C 0.657 176.486 175.800 0.048 0.000 1.058 201 F CA -0.010 58.016 58.000 0.042 0.000 1.149 201 F CB 0.930 39.953 39.000 0.039 0.000 1.739 201 F HN 0.634 nan 8.300 nan 0.000 0.536 202 L N 0.042 121.410 121.223 0.242 0.000 2.905 202 L HA 0.587 4.926 4.340 -0.001 0.000 0.260 202 L C -0.803 176.157 176.870 0.151 0.000 0.933 202 L CA -0.123 54.808 54.840 0.152 0.000 1.034 202 L CB 0.854 42.964 42.059 0.085 0.000 1.550 202 L HN 0.578 nan 8.230 nan 0.000 0.480 203 G N 1.965 110.853 108.800 0.146 0.000 2.535 203 G HA2 0.636 4.595 3.960 -0.001 0.000 0.303 203 G HA3 0.636 4.595 3.960 -0.001 0.000 0.303 203 G C -0.882 174.095 174.900 0.128 0.000 1.237 203 G CA -0.566 44.616 45.100 0.138 0.000 0.986 203 G HN 0.684 nan 8.290 nan 0.000 0.494 204 S N -0.299 115.476 115.700 0.124 0.000 2.525 204 S HA 0.394 4.863 4.470 -0.001 0.000 0.278 204 S C 0.153 174.810 174.600 0.094 0.000 1.234 204 S CA -0.591 57.671 58.200 0.103 0.000 1.058 204 S CB 1.308 64.553 63.200 0.075 0.000 0.983 204 S HN 0.641 nan 8.310 nan 0.000 0.495 205 K N 0.227 120.667 120.400 0.066 0.000 3.125 205 K HA -0.131 4.189 4.320 -0.001 0.000 0.268 205 K C -0.782 175.800 176.600 -0.029 0.000 1.078 205 K CA 0.446 56.717 56.287 -0.026 0.000 0.775 205 K CB -0.822 31.563 32.500 -0.191 0.000 1.253 205 K HN 0.369 nan 8.250 nan 0.000 0.486 206 K N 0.142 120.591 120.400 0.081 0.000 2.098 206 K HA 0.312 4.631 4.320 -0.001 0.000 0.257 206 K C 0.822 177.478 176.600 0.093 0.000 0.999 206 K CA -0.168 56.189 56.287 0.116 0.000 0.924 206 K CB 0.794 33.373 32.500 0.131 0.000 1.028 206 K HN 0.284 nan 8.250 nan 0.000 0.466 207 G N 0.174 109.045 108.800 0.118 0.000 2.390 207 G HA2 0.410 4.369 3.960 -0.001 0.000 0.270 207 G HA3 0.410 4.369 3.960 -0.001 0.000 0.270 207 G C -0.685 174.273 174.900 0.096 0.000 1.211 207 G CA -0.481 44.688 45.100 0.115 0.000 0.842 207 G HN 0.215 nan 8.290 nan 0.000 0.519 208 V N 3.513 123.459 119.914 0.053 0.000 2.435 208 V HA 0.389 4.508 4.120 -0.001 0.000 0.290 208 V C -0.272 175.832 176.094 0.018 0.000 1.030 208 V CA -0.958 61.363 62.300 0.034 0.000 0.881 208 V CB 1.414 33.229 31.823 -0.012 0.000 0.983 208 V HN 0.753 nan 8.190 nan 0.000 0.445 209 N N 5.219 123.967 118.700 0.079 0.000 2.296 209 N HA 0.481 5.220 4.740 -0.001 0.000 0.294 209 N C -1.692 173.895 175.510 0.129 0.000 1.033 209 N CA -0.676 52.419 53.050 0.075 0.000 0.839 209 N CB 2.660 41.206 38.487 0.098 0.000 1.395 209 N HN 0.284 nan 8.380 nan 0.000 0.479 210 L N 3.136 124.383 121.223 0.042 0.000 2.502 210 L HA 0.366 4.705 4.340 -0.001 0.000 0.247 210 L C -2.318 174.579 176.870 0.044 0.000 1.180 210 L CA -2.091 52.781 54.840 0.053 0.000 0.956 210 L CB 0.007 42.048 42.059 -0.030 0.000 1.282 210 L HN 0.275 nan 8.230 nan 0.000 0.470 211 P HA 0.268 nan 4.420 nan 0.000 0.260 211 P C 1.089 178.404 177.300 0.024 0.000 1.207 211 P CA 0.785 63.909 63.100 0.040 0.000 0.780 211 P CB 0.843 32.554 31.700 0.018 0.000 0.789 212 G N 2.294 111.090 108.800 -0.006 0.000 2.259 212 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.217 212 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.217 212 G C 0.450 175.338 174.900 -0.020 0.000 1.001 212 G CA -0.024 45.065 45.100 -0.018 0.000 0.627 212 G HN 0.820 nan 8.290 nan 0.000 0.501 213 A N 0.347 123.155 122.820 -0.021 0.000 2.429 213 A HA 0.686 5.005 4.320 -0.001 0.000 0.242 213 A C 1.077 178.637 177.584 -0.039 0.000 1.088 213 A CA 1.333 53.352 52.037 -0.030 0.000 0.784 213 A CB 0.394 19.369 19.000 -0.042 0.000 1.038 213 A HN 2.035 nan 8.150 nan 0.000 0.501 214 A N 1.098 123.902 122.820 -0.027 0.000 3.232 214 A HA 0.492 4.812 4.320 -0.001 0.000 0.312 214 A C 0.218 177.793 177.584 -0.015 0.000 1.185 214 A CA 0.089 52.113 52.037 -0.021 0.000 1.011 214 A CB -0.847 18.152 19.000 -0.003 0.000 1.096 214 A HN 2.036 nan 8.150 nan 0.000 0.543 215 V N -0.120 119.743 119.914 -0.086 0.000 2.637 215 V HA 0.463 4.582 4.120 -0.001 0.000 0.296 215 V C -0.495 175.575 176.094 -0.041 0.000 1.046 215 V CA -0.118 62.106 62.300 -0.126 0.000 1.066 215 V CB 0.781 32.296 31.823 -0.513 0.000 0.968 215 V HN 0.636 nan 8.190 nan 0.000 0.483 216 D N 5.230 125.683 120.400 0.090 0.000 2.477 216 D HA 0.536 5.175 4.640 -0.001 0.000 0.239 216 D C -0.565 175.791 176.300 0.093 0.000 1.102 216 D CA -0.217 53.825 54.000 0.070 0.000 0.901 216 D CB 0.722 41.565 40.800 0.071 0.000 1.026 216 D HN 0.577 nan 8.370 nan 0.000 0.515 217 L N 2.241 123.480 121.223 0.027 0.000 2.322 217 L HA 0.525 4.865 4.340 -0.001 0.000 0.281 217 L C -1.978 174.906 176.870 0.023 0.000 1.014 217 L CA -2.122 52.737 54.840 0.032 0.000 0.815 217 L CB 1.651 43.696 42.059 -0.024 0.000 1.247 217 L HN 0.215 nan 8.230 nan 0.000 0.421 218 P HA 0.018 nan 4.420 nan 0.000 0.267 218 P C 0.245 177.569 177.300 0.040 0.000 1.200 218 P CA -0.210 62.913 63.100 0.038 0.000 0.772 218 P CB 0.957 32.684 31.700 0.044 0.000 0.855 219 A N 2.567 125.412 122.820 0.042 0.000 1.969 219 A HA 0.024 4.343 4.320 -0.001 0.000 0.218 219 A C 0.883 178.504 177.584 0.061 0.000 1.169 219 A CA 1.151 53.220 52.037 0.053 0.000 0.635 219 A CB -0.321 18.711 19.000 0.053 0.000 0.810 219 A HN 0.416 nan 8.150 nan 0.000 0.445 220 V N 0.990 120.938 119.914 0.056 0.000 2.327 220 V HA 0.244 4.364 4.120 -0.001 0.000 0.272 220 V C 0.080 176.209 176.094 0.059 0.000 1.019 220 V CA -0.770 61.565 62.300 0.059 0.000 0.814 220 V CB 0.563 32.419 31.823 0.054 0.000 1.040 220 V HN 0.313 nan 8.190 nan 0.000 0.440 221 S N 2.441 118.182 115.700 0.067 0.000 2.555 221 S HA -0.045 4.424 4.470 -0.001 0.000 0.264 221 S C 1.413 176.052 174.600 0.065 0.000 1.378 221 S CA 0.181 58.422 58.200 0.069 0.000 0.996 221 S CB 0.784 64.034 63.200 0.084 0.000 0.869 221 S HN 0.854 nan 8.310 nan 0.000 0.546 222 E N 0.992 121.228 120.200 0.061 0.000 2.072 222 E HA -0.120 4.229 4.350 -0.001 0.000 0.190 222 E C 1.989 178.629 176.600 0.066 0.000 0.982 222 E CA 0.995 57.428 56.400 0.055 0.000 0.803 222 E CB -0.049 29.677 29.700 0.044 0.000 0.755 222 E HN 0.442 nan 8.360 nan 0.000 0.453 223 K N 0.903 121.348 120.400 0.076 0.000 2.032 223 K HA -0.187 4.132 4.320 -0.001 0.000 0.209 223 K C 1.781 178.456 176.600 0.125 0.000 1.048 223 K CA 1.733 58.080 56.287 0.099 0.000 0.927 223 K CB -0.092 32.473 32.500 0.110 0.000 0.712 223 K HN 0.052 nan 8.250 nan 0.000 0.441 224 D N 0.628 121.094 120.400 0.109 0.000 2.133 224 D HA -0.199 4.440 4.640 -0.001 0.000 0.192 224 D C 1.831 178.182 176.300 0.085 0.000 1.001 224 D CA 1.361 55.419 54.000 0.098 0.000 0.844 224 D CB -0.287 40.562 40.800 0.083 0.000 0.944 224 D HN 0.205 nan 8.370 nan 0.000 0.447 225 I N 0.681 121.298 120.570 0.080 0.000 2.286 225 I HA -0.260 3.910 4.170 -0.001 0.000 0.248 225 I C 2.507 178.686 176.117 0.103 0.000 1.115 225 I CA 0.985 62.330 61.300 0.074 0.000 1.392 225 I CB -0.276 37.762 38.000 0.063 0.000 1.065 225 I HN -0.054 nan 8.210 nan 0.000 0.418 226 Q N 0.764 120.641 119.800 0.127 0.000 1.975 226 Q HA -0.239 4.101 4.340 -0.001 0.000 0.205 226 Q C 1.963 178.154 176.000 0.317 0.000 0.990 226 Q CA 2.060 57.973 55.803 0.184 0.000 0.845 226 Q CB -0.208 28.603 28.738 0.120 0.000 0.913 226 Q HN 0.459 nan 8.270 nan 0.000 0.420 227 D N 0.487 121.073 120.400 0.309 0.000 2.133 227 D HA -0.180 4.459 4.640 -0.001 0.000 0.195 227 D C 1.958 178.263 176.300 0.008 0.000 0.997 227 D CA 1.029 55.153 54.000 0.208 0.000 0.840 227 D CB -0.325 40.555 40.800 0.133 0.000 0.947 227 D HN 0.216 nan 8.370 nan 0.000 0.452 228 L N 0.589 121.824 121.223 0.021 0.000 1.989 228 L HA -0.177 4.162 4.340 -0.001 0.000 0.211 228 L C 2.372 179.249 176.870 0.011 0.000 1.071 228 L CA 1.235 56.063 54.840 -0.020 0.000 0.749 228 L CB -0.379 41.684 42.059 0.007 0.000 0.890 228 L HN 0.011 nan 8.230 nan 0.000 0.431 229 K N -0.707 119.742 120.400 0.082 0.000 2.283 229 K HA -0.163 4.156 4.320 -0.001 0.000 0.202 229 K C 2.009 178.691 176.600 0.137 0.000 1.048 229 K CA 1.060 57.405 56.287 0.095 0.000 0.948 229 K CB -0.271 32.291 32.500 0.104 0.000 0.742 229 K HN 0.171 nan 8.250 nan 0.000 0.458 230 F N 1.817 121.768 119.950 0.002 0.000 2.163 230 F HA -0.016 4.511 4.527 -0.001 0.000 0.297 230 F C 2.158 177.897 175.800 -0.101 0.000 1.094 230 F CA 1.381 59.362 58.000 -0.032 0.000 1.290 230 F CB -0.773 38.107 39.000 -0.200 0.000 1.017 230 F HN 0.001 nan 8.300 nan 0.000 0.483 231 G N -0.047 108.622 108.800 -0.219 0.000 2.450 231 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.220 231 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.220 231 G C 1.676 176.430 174.900 -0.244 0.000 1.130 231 G CA 1.296 46.191 45.100 -0.343 0.000 0.760 231 G HN 0.353 nan 8.290 nan 0.000 0.557 232 V N 0.461 120.290 119.914 -0.142 0.000 2.488 232 V HA -0.099 4.020 4.120 -0.001 0.000 0.246 232 V C 2.547 178.576 176.094 -0.108 0.000 1.046 232 V CA 1.790 64.033 62.300 -0.095 0.000 1.053 232 V CB -0.453 31.348 31.823 -0.037 0.000 0.679 232 V HN 0.432 nan 8.190 nan 0.000 0.458 233 E N 0.049 120.179 120.200 -0.116 0.000 2.118 233 E HA -0.237 4.112 4.350 -0.001 0.000 0.195 233 E C 2.152 178.633 176.600 -0.199 0.000 0.992 233 E CA 1.133 57.473 56.400 -0.101 0.000 0.804 233 E CB -0.123 29.583 29.700 0.009 0.000 0.741 233 E HN 0.533 nan 8.360 nan 0.000 0.458 234 Q N 0.364 119.933 119.800 -0.384 0.000 2.444 234 Q HA -0.075 4.264 4.340 -0.001 0.000 0.206 234 Q C 0.109 175.989 176.000 -0.200 0.000 0.948 234 Q CA 0.401 55.984 55.803 -0.367 0.000 0.946 234 Q CB 0.041 28.427 28.738 -0.588 0.000 1.027 234 Q HN 0.304 nan 8.270 nan 0.000 0.513 235 D N 0.536 120.845 120.400 -0.151 0.000 2.723 235 D HA -0.149 4.490 4.640 -0.001 0.000 0.236 235 D C 0.030 176.277 176.300 -0.088 0.000 1.138 235 D CA 0.556 54.502 54.000 -0.090 0.000 0.676 235 D CB -1.117 39.649 40.800 -0.056 0.000 1.069 235 D HN 0.146 nan 8.370 nan 0.000 0.430 236 V N -2.168 117.671 119.914 -0.125 0.000 3.376 236 V HA 0.193 4.312 4.120 -0.001 0.000 0.303 236 V C 1.335 177.389 176.094 -0.066 0.000 1.100 236 V CA 0.628 62.859 62.300 -0.115 0.000 1.126 236 V CB 1.124 32.844 31.823 -0.172 0.000 1.085 236 V HN 0.075 nan 8.190 nan 0.000 0.480 237 D N 1.220 121.588 120.400 -0.052 0.000 2.324 237 D HA 0.196 4.836 4.640 -0.001 0.000 0.212 237 D C 0.659 176.960 176.300 0.001 0.000 0.984 237 D CA 1.393 55.390 54.000 -0.005 0.000 0.885 237 D CB 0.676 41.494 40.800 0.029 0.000 0.996 237 D HN 0.808 nan 8.370 nan 0.000 0.505 238 M N -0.946 118.636 119.600 -0.030 0.000 2.644 238 M HA 0.494 4.973 4.480 -0.001 0.000 0.273 238 M C -1.984 174.285 176.300 -0.051 0.000 1.253 238 M CA -0.863 54.442 55.300 0.008 0.000 0.852 238 M CB 2.917 35.582 32.600 0.108 0.000 1.708 238 M HN -0.412 nan 8.290 nan 0.000 0.471 239 V N 2.210 122.147 119.914 0.039 0.000 2.540 239 V HA 0.547 4.666 4.120 -0.001 0.000 0.302 239 V C -1.335 174.944 176.094 0.308 0.000 1.035 239 V CA -0.426 61.893 62.300 0.032 0.000 0.873 239 V CB 1.852 33.672 31.823 -0.005 0.000 0.992 239 V HN 0.671 nan 8.190 nan 0.000 0.428 240 F N 3.258 123.175 119.950 -0.055 0.000 2.303 240 F HA 0.583 5.110 4.527 -0.001 0.000 0.368 240 F C 0.754 176.534 175.800 -0.033 0.000 1.105 240 F CA -1.733 56.242 58.000 -0.042 0.000 1.153 240 F CB 0.918 39.899 39.000 -0.032 0.000 1.362 240 F HN 0.540 nan 8.300 nan 0.000 0.511 241 A N 2.788 125.696 122.820 0.146 0.000 2.539 241 A HA 0.388 4.708 4.320 -0.001 0.000 0.306 241 A C 0.766 178.387 177.584 0.062 0.000 1.392 241 A CA -0.119 51.968 52.037 0.084 0.000 1.060 241 A CB -0.354 18.678 19.000 0.054 0.000 1.134 241 A HN 0.549 nan 8.150 nan 0.000 0.542 242 S N 1.111 116.855 115.700 0.075 0.000 2.563 242 S HA 0.285 4.754 4.470 -0.001 0.000 0.284 242 S C 0.247 174.915 174.600 0.113 0.000 1.331 242 S CA 0.105 58.313 58.200 0.013 0.000 1.047 242 S CB -0.359 62.897 63.200 0.093 0.000 0.859 242 S HN 0.752 nan 8.310 nan 0.000 0.514 243 F N 0.100 120.074 119.950 0.041 0.000 3.019 243 F HA -0.178 4.348 4.527 -0.001 0.000 0.259 243 F C 0.413 176.229 175.800 0.027 0.000 0.976 243 F CA -0.139 57.879 58.000 0.030 0.000 0.876 243 F CB -1.495 37.520 39.000 0.026 0.000 0.784 243 F HN 0.346 nan 8.300 nan 0.000 0.786 244 I N 0.528 121.176 120.570 0.131 0.000 2.618 244 I HA -0.008 4.161 4.170 -0.001 0.000 0.284 244 I C 1.471 177.645 176.117 0.095 0.000 1.146 244 I CA 0.642 61.999 61.300 0.095 0.000 1.425 244 I CB 1.105 39.131 38.000 0.043 0.000 1.383 244 I HN 0.315 nan 8.210 nan 0.000 0.562 245 R N 4.382 124.931 120.500 0.083 0.000 2.369 245 R HA 0.169 4.508 4.340 -0.001 0.000 0.210 245 R C -0.152 176.174 176.300 0.043 0.000 0.881 245 R CA 0.226 56.369 56.100 0.071 0.000 1.031 245 R CB 0.651 30.996 30.300 0.074 0.000 1.184 245 R HN 0.653 nan 8.270 nan 0.000 0.581 246 K N -2.356 118.065 120.400 0.037 0.000 2.578 246 K HA 0.453 4.773 4.320 -0.001 0.000 0.287 246 K C -0.186 176.434 176.600 0.034 0.000 1.010 246 K CA -0.235 56.067 56.287 0.025 0.000 0.889 246 K CB 1.223 33.740 32.500 0.029 0.000 1.514 246 K HN -0.137 nan 8.250 nan 0.000 0.424 247 A N 0.935 123.778 122.820 0.038 0.000 2.024 247 A HA -0.103 4.217 4.320 -0.001 0.000 0.220 247 A C 2.192 179.930 177.584 0.257 0.000 1.164 247 A CA 2.245 54.340 52.037 0.098 0.000 0.643 247 A CB -1.026 18.048 19.000 0.124 0.000 0.806 247 A HN 0.849 nan 8.150 nan 0.000 0.451 248 A N 0.654 123.570 122.820 0.161 0.000 1.883 248 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 248 A C 1.735 179.416 177.584 0.162 0.000 1.186 248 A CA 1.977 54.099 52.037 0.142 0.000 0.624 248 A CB -0.713 18.310 19.000 0.038 0.000 0.822 248 A HN 0.495 nan 8.150 nan 0.000 0.444 249 D N -0.082 120.378 120.400 0.101 0.000 2.133 249 D HA -0.143 4.496 4.640 -0.001 0.000 0.195 249 D C 2.025 178.367 176.300 0.069 0.000 0.997 249 D CA 1.605 55.651 54.000 0.077 0.000 0.840 249 D CB -0.775 40.063 40.800 0.064 0.000 0.947 249 D HN 0.263 nan 8.370 nan 0.000 0.452 250 V N 0.811 120.756 119.914 0.052 0.000 2.295 250 V HA -0.261 3.858 4.120 -0.001 0.000 0.246 250 V C 2.081 178.141 176.094 -0.057 0.000 1.049 250 V CA 1.828 64.110 62.300 -0.031 0.000 1.024 250 V CB -0.770 30.986 31.823 -0.111 0.000 0.648 250 V HN 0.231 nan 8.190 nan 0.000 0.447 251 H N -0.251 118.816 119.070 -0.005 0.000 2.421 251 H HA -0.120 4.435 4.556 -0.001 0.000 0.298 251 H C 2.326 177.657 175.328 0.005 0.000 1.087 251 H CA 1.647 57.694 56.048 -0.002 0.000 1.330 251 H CB -0.034 29.726 29.762 -0.004 0.000 1.388 251 H HN 0.513 nan 8.280 nan 0.000 0.526 252 E N 0.069 120.351 120.200 0.137 0.000 2.007 252 E HA -0.154 4.195 4.350 -0.001 0.000 0.194 252 E C 2.282 178.914 176.600 0.054 0.000 0.999 252 E CA 1.384 57.834 56.400 0.082 0.000 0.811 252 E CB -0.020 29.721 29.700 0.068 0.000 0.762 252 E HN 0.160 nan 8.360 nan 0.000 0.450 253 V N 1.217 121.155 119.914 0.040 0.000 2.370 253 V HA -0.323 3.796 4.120 -0.001 0.000 0.252 253 V C 2.408 178.509 176.094 0.012 0.000 1.068 253 V CA 2.252 64.566 62.300 0.023 0.000 1.061 253 V CB -0.575 31.256 31.823 0.014 0.000 0.656 253 V HN 0.211 nan 8.190 nan 0.000 0.455 254 R N 0.752 121.255 120.500 0.005 0.000 2.092 254 R HA -0.139 4.201 4.340 -0.001 0.000 0.231 254 R C 2.309 178.620 176.300 0.017 0.000 1.119 254 R CA 1.771 57.870 56.100 -0.002 0.000 0.970 254 R CB -0.490 29.793 30.300 -0.027 0.000 0.864 254 R HN 0.503 nan 8.270 nan 0.000 0.440 255 K N 0.574 120.995 120.400 0.035 0.000 2.002 255 K HA -0.118 4.201 4.320 -0.001 0.000 0.209 255 K C 1.849 178.467 176.600 0.031 0.000 1.048 255 K CA 1.666 57.977 56.287 0.039 0.000 0.930 255 K CB -0.135 32.395 32.500 0.051 0.000 0.714 255 K HN 0.174 nan 8.250 nan 0.000 0.438 256 I N 1.779 122.367 120.570 0.030 0.000 2.118 256 I HA -0.303 3.866 4.170 -0.001 0.000 0.241 256 I C 2.504 178.633 176.117 0.021 0.000 1.070 256 I CA 1.009 62.326 61.300 0.028 0.000 1.327 256 I CB -1.317 36.701 38.000 0.030 0.000 1.034 256 I HN 0.176 nan 8.210 nan 0.000 0.405 257 L N 0.616 121.846 121.223 0.012 0.000 2.081 257 L HA -0.103 4.237 4.340 -0.001 0.000 0.212 257 L C 1.775 178.650 176.870 0.009 0.000 1.080 257 L CA 1.664 56.506 54.840 0.003 0.000 0.754 257 L CB -1.736 40.320 42.059 -0.005 0.000 0.893 257 L HN 0.531 nan 8.230 nan 0.000 0.433 258 G N -0.973 107.836 108.800 0.014 0.000 2.581 258 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.289 258 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.289 258 G C 1.013 175.922 174.900 0.015 0.000 1.303 258 G CA 0.464 45.575 45.100 0.017 0.000 0.931 258 G HN 0.259 nan 8.290 nan 0.000 0.555 259 E N 0.073 120.283 120.200 0.017 0.000 2.021 259 E HA -0.162 4.187 4.350 -0.001 0.000 0.200 259 E C 2.569 179.177 176.600 0.014 0.000 1.015 259 E CA 1.497 57.906 56.400 0.016 0.000 0.824 259 E CB -0.379 29.331 29.700 0.017 0.000 0.762 259 E HN 0.526 nan 8.360 nan 0.000 0.454 260 K N -0.542 119.865 120.400 0.013 0.000 2.242 260 K HA -0.182 4.137 4.320 -0.001 0.000 0.206 260 K C 1.465 178.068 176.600 0.004 0.000 1.045 260 K CA 1.372 57.664 56.287 0.009 0.000 0.930 260 K CB -0.189 32.316 32.500 0.009 0.000 0.726 260 K HN 0.157 nan 8.250 nan 0.000 0.462 261 G N 0.528 109.330 108.800 0.004 0.000 3.993 261 G HA2 0.026 3.985 3.960 -0.001 0.000 0.294 261 G HA3 0.026 3.985 3.960 -0.001 0.000 0.294 261 G C 0.730 175.633 174.900 0.005 0.000 1.043 261 G CA -0.343 44.756 45.100 -0.001 0.000 0.839 261 G HN 0.280 nan 8.290 nan 0.000 0.516 262 K N -0.138 120.269 120.400 0.011 0.000 2.281 262 K HA -0.085 4.234 4.320 -0.001 0.000 0.203 262 K C 1.262 177.875 176.600 0.020 0.000 1.046 262 K CA 1.576 57.872 56.287 0.015 0.000 0.938 262 K CB -0.200 32.310 32.500 0.018 0.000 0.737 262 K HN 0.287 nan 8.250 nan 0.000 0.458 263 N N 0.494 119.209 118.700 0.025 0.000 2.353 263 N HA 0.136 4.875 4.740 -0.001 0.000 0.185 263 N C -0.228 175.304 175.510 0.037 0.000 1.098 263 N CA -0.271 52.802 53.050 0.037 0.000 0.872 263 N CB 0.276 38.790 38.487 0.046 0.000 0.970 263 N HN 0.080 nan 8.380 nan 0.000 0.467 264 I N 1.317 121.899 120.570 0.020 0.000 2.779 264 I HA 0.062 4.232 4.170 -0.001 0.000 0.285 264 I C 0.378 176.506 176.117 0.018 0.000 1.134 264 I CA 0.028 61.336 61.300 0.013 0.000 1.398 264 I CB 0.438 38.433 38.000 -0.009 0.000 1.404 264 I HN -0.066 nan 8.210 nan 0.000 0.587 265 K N 5.759 126.175 120.400 0.026 0.000 2.235 265 K HA 0.532 4.852 4.320 -0.001 0.000 0.266 265 K C -0.500 176.116 176.600 0.027 0.000 0.980 265 K CA -0.565 55.736 56.287 0.024 0.000 0.849 265 K CB 1.520 34.037 32.500 0.028 0.000 1.098 265 K HN 0.438 nan 8.250 nan 0.000 0.445 266 I N 4.401 124.973 120.570 0.003 0.000 2.301 266 I HA 0.144 4.313 4.170 -0.001 0.000 0.292 266 I C -0.280 175.830 176.117 -0.012 0.000 1.046 266 I CA -0.777 60.525 61.300 0.003 0.000 1.282 266 I CB 0.484 38.470 38.000 -0.023 0.000 1.409 266 I HN 0.245 nan 8.210 nan 0.000 0.484 267 I N 5.974 126.554 120.570 0.017 0.000 2.337 267 I HA 0.154 4.323 4.170 -0.001 0.000 0.285 267 I C 0.418 176.500 176.117 -0.059 0.000 1.041 267 I CA -0.166 61.097 61.300 -0.060 0.000 1.199 267 I CB 0.896 38.798 38.000 -0.164 0.000 1.370 267 I HN 0.387 nan 8.210 nan 0.000 0.470 268 S N 6.296 121.958 115.700 -0.062 0.000 2.516 268 S HA 0.208 4.677 4.470 -0.001 0.000 0.282 268 S C 0.291 174.858 174.600 -0.055 0.000 1.286 268 S CA -0.424 57.750 58.200 -0.043 0.000 1.066 268 S CB 0.092 63.265 63.200 -0.045 0.000 0.884 268 S HN 0.331 nan 8.310 nan 0.000 0.491 269 K N 3.000 123.370 120.400 -0.051 0.000 2.262 269 K HA 0.305 4.624 4.320 -0.001 0.000 0.282 269 K C -0.678 175.877 176.600 -0.075 0.000 1.066 269 K CA -0.530 55.702 56.287 -0.091 0.000 0.901 269 K CB 0.562 32.989 32.500 -0.123 0.000 1.089 269 K HN 0.380 nan 8.250 nan 0.000 0.476 270 I N 4.436 124.971 120.570 -0.058 0.000 2.291 270 I HA 0.039 4.208 4.170 -0.001 0.000 0.292 270 I C 0.874 176.937 176.117 -0.089 0.000 1.064 270 I CA 0.100 61.385 61.300 -0.026 0.000 1.269 270 I CB 0.256 38.270 38.000 0.023 0.000 1.418 270 I HN 0.754 nan 8.210 nan 0.000 0.485 271 E N 4.279 124.417 120.200 -0.103 0.000 2.715 271 E HA 0.146 4.495 4.350 -0.001 0.000 0.224 271 E C -0.391 176.251 176.600 0.071 0.000 0.962 271 E CA -0.364 55.955 56.400 -0.136 0.000 1.145 271 E CB 0.463 29.868 29.700 -0.492 0.000 1.083 271 E HN 0.648 nan 8.360 nan 0.000 0.506 272 N N -0.336 118.439 118.700 0.124 0.000 2.647 272 N HA 0.065 4.804 4.740 -0.001 0.000 0.266 272 N C 0.280 175.858 175.510 0.114 0.000 1.373 272 N CA -0.764 52.387 53.050 0.168 0.000 0.807 272 N CB 0.795 39.433 38.487 0.252 0.000 1.513 272 N HN -0.067 nan 8.380 nan 0.000 0.505 273 H N -0.440 118.655 119.070 0.041 0.000 2.352 273 H HA -0.123 4.432 4.556 -0.001 0.000 0.299 273 H C 1.373 176.719 175.328 0.031 0.000 1.097 273 H CA 2.557 58.617 56.048 0.019 0.000 1.311 273 H CB 0.270 30.035 29.762 0.005 0.000 1.377 273 H HN 0.777 nan 8.280 nan 0.000 0.504 274 E N -0.268 119.995 120.200 0.105 0.000 2.085 274 E HA -0.118 4.231 4.350 -0.001 0.000 0.194 274 E C 2.510 179.113 176.600 0.005 0.000 0.994 274 E CA 1.500 57.933 56.400 0.055 0.000 0.801 274 E CB -0.839 28.913 29.700 0.088 0.000 0.743 274 E HN 0.613 nan 8.360 nan 0.000 0.453 275 G N -0.142 108.680 108.800 0.037 0.000 2.440 275 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.218 275 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.218 275 G C 1.699 176.640 174.900 0.068 0.000 1.154 275 G CA 1.125 46.262 45.100 0.061 0.000 0.767 275 G HN 0.253 nan 8.290 nan 0.000 0.552 276 V N 0.586 120.478 119.914 -0.038 0.000 2.237 276 V HA -0.177 3.942 4.120 -0.001 0.000 0.245 276 V C 2.752 178.807 176.094 -0.064 0.000 1.046 276 V CA 2.203 64.451 62.300 -0.086 0.000 1.007 276 V CB -0.620 31.076 31.823 -0.212 0.000 0.638 276 V HN 0.361 nan 8.190 nan 0.000 0.445 277 R N 0.455 120.828 120.500 -0.213 0.000 2.112 277 R HA -0.191 4.148 4.340 -0.001 0.000 0.242 277 R C 1.959 178.246 176.300 -0.022 0.000 1.137 277 R CA 1.872 57.884 56.100 -0.147 0.000 0.944 277 R CB -0.147 30.052 30.300 -0.168 0.000 0.857 277 R HN 0.488 nan 8.270 nan 0.000 0.435 278 R N -0.057 120.444 120.500 0.002 0.000 2.568 278 R HA 0.007 4.347 4.340 -0.001 0.000 0.288 278 R C 1.332 177.631 176.300 -0.001 0.000 1.077 278 R CA -0.129 55.974 56.100 0.005 0.000 1.102 278 R CB -0.265 30.033 30.300 -0.004 0.000 1.278 278 R HN 0.232 nan 8.270 nan 0.000 0.560 279 F N 3.123 123.034 119.950 -0.065 0.000 2.063 279 F HA -0.326 4.201 4.527 -0.001 0.000 0.298 279 F C 1.352 177.123 175.800 -0.048 0.000 1.105 279 F CA 2.143 60.106 58.000 -0.062 0.000 1.215 279 F CB 0.029 38.982 39.000 -0.078 0.000 0.972 279 F HN 0.020 nan 8.300 nan 0.000 0.483 280 D N 0.142 120.420 120.400 -0.203 0.000 2.106 280 D HA -0.253 4.386 4.640 -0.001 0.000 0.191 280 D C 2.131 178.254 176.300 -0.294 0.000 0.997 280 D CA 2.041 55.882 54.000 -0.265 0.000 0.834 280 D CB -0.789 39.975 40.800 -0.060 0.000 0.956 280 D HN 0.705 nan 8.370 nan 0.000 0.448 281 E N 0.417 120.507 120.200 -0.184 0.000 2.150 281 E HA -0.112 4.237 4.350 -0.001 0.000 0.193 281 E C 2.196 178.700 176.600 -0.161 0.000 0.985 281 E CA 0.629 56.952 56.400 -0.129 0.000 0.814 281 E CB -0.443 29.221 29.700 -0.059 0.000 0.752 281 E HN 0.265 nan 8.360 nan 0.000 0.466 282 I N 1.217 121.648 120.570 -0.232 0.000 2.179 282 I HA -0.245 3.924 4.170 -0.001 0.000 0.242 282 I C 2.580 178.518 176.117 -0.298 0.000 1.088 282 I CA 0.865 62.030 61.300 -0.224 0.000 1.357 282 I CB -0.285 37.577 38.000 -0.229 0.000 1.051 282 I HN 0.242 nan 8.210 nan 0.000 0.409 283 L N 0.849 121.755 121.223 -0.528 0.000 1.978 283 L HA -0.306 4.033 4.340 -0.001 0.000 0.218 283 L C 2.541 179.261 176.870 -0.251 0.000 1.075 283 L CA 2.184 56.735 54.840 -0.482 0.000 0.767 283 L CB -0.803 40.834 42.059 -0.703 0.000 0.890 283 L HN 0.413 nan 8.230 nan 0.000 0.434 284 E N -0.322 119.750 120.200 -0.214 0.000 2.333 284 E HA -0.192 4.157 4.350 -0.001 0.000 0.198 284 E C 1.757 178.289 176.600 -0.112 0.000 1.007 284 E CA 1.145 57.470 56.400 -0.126 0.000 0.845 284 E CB 0.202 29.846 29.700 -0.093 0.000 0.766 284 E HN 0.631 nan 8.360 nan 0.000 0.507 285 A N 0.212 122.946 122.820 -0.142 0.000 1.997 285 A HA 0.103 4.422 4.320 -0.001 0.000 0.212 285 A C 1.569 179.045 177.584 -0.179 0.000 1.178 285 A CA 0.198 52.126 52.037 -0.182 0.000 0.698 285 A CB 0.099 18.967 19.000 -0.220 0.000 0.842 285 A HN 0.163 nan 8.150 nan 0.000 0.458 286 S N 0.458 116.067 115.700 -0.152 0.000 2.626 286 S HA 0.189 4.658 4.470 -0.001 0.000 0.257 286 S C 0.113 174.656 174.600 -0.094 0.000 1.288 286 S CA -0.090 58.038 58.200 -0.121 0.000 0.980 286 S CB 0.389 63.519 63.200 -0.117 0.000 0.975 286 S HN 0.442 nan 8.310 nan 0.000 0.577 287 D N -0.097 120.258 120.400 -0.074 0.000 2.417 287 D HA 0.306 4.945 4.640 -0.001 0.000 0.207 287 D C 0.678 176.931 176.300 -0.079 0.000 1.075 287 D CA 0.404 54.370 54.000 -0.055 0.000 0.851 287 D CB 0.762 41.541 40.800 -0.034 0.000 0.976 287 D HN 0.622 nan 8.370 nan 0.000 0.505 288 G N 0.166 108.908 108.800 -0.096 0.000 2.451 288 G HA2 0.432 4.391 3.960 -0.001 0.000 0.292 288 G HA3 0.432 4.391 3.960 -0.001 0.000 0.292 288 G C -1.822 173.015 174.900 -0.106 0.000 1.427 288 G CA -0.523 44.504 45.100 -0.121 0.000 0.792 288 G HN -0.099 nan 8.290 nan 0.000 0.498 289 I N -0.012 120.497 120.570 -0.100 0.000 3.145 289 I HA 0.722 4.891 4.170 -0.001 0.000 0.313 289 I C -0.285 175.747 176.117 -0.143 0.000 1.122 289 I CA -1.271 59.990 61.300 -0.065 0.000 0.987 289 I CB 2.132 40.187 38.000 0.091 0.000 1.236 289 I HN 0.675 nan 8.210 nan 0.000 0.453 290 M N 2.917 122.434 119.600 -0.138 0.000 2.267 290 M HA 0.434 4.913 4.480 -0.001 0.000 0.289 290 M C -1.640 174.580 176.300 -0.133 0.000 1.043 290 M CA -0.685 54.497 55.300 -0.197 0.000 0.928 290 M CB 1.804 34.206 32.600 -0.329 0.000 1.613 290 M HN 0.192 nan 8.290 nan 0.000 0.450 291 V N 4.533 124.370 119.914 -0.129 0.000 2.313 291 V HA 0.314 4.434 4.120 -0.001 0.000 0.252 291 V C 0.561 176.590 176.094 -0.109 0.000 1.112 291 V CA -0.400 61.831 62.300 -0.114 0.000 0.984 291 V CB 0.009 31.766 31.823 -0.109 0.000 1.157 291 V HN 0.835 nan 8.190 nan 0.000 0.493 292 A N 5.303 128.051 122.820 -0.120 0.000 2.805 292 A HA 0.369 4.688 4.320 -0.001 0.000 0.301 292 A C 1.386 178.911 177.584 -0.099 0.000 1.557 292 A CA -0.470 51.494 52.037 -0.121 0.000 1.254 292 A CB -0.237 18.660 19.000 -0.171 0.000 1.114 292 A HN 0.872 nan 8.150 nan 0.000 0.553 293 R N 1.617 122.077 120.500 -0.066 0.000 2.189 293 R HA -0.044 4.295 4.340 -0.001 0.000 0.223 293 R C 2.119 178.402 176.300 -0.029 0.000 1.092 293 R CA 1.296 57.369 56.100 -0.044 0.000 0.989 293 R CB -0.216 30.067 30.300 -0.030 0.000 0.876 293 R HN 0.620 nan 8.270 nan 0.000 0.457 294 G N 1.297 110.083 108.800 -0.024 0.000 2.511 294 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.216 294 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.216 294 G C 1.008 175.910 174.900 0.003 0.000 1.218 294 G CA 1.070 46.169 45.100 -0.001 0.000 0.788 294 G HN 0.187 nan 8.290 nan 0.000 0.560 295 D N 0.115 120.512 120.400 -0.005 0.000 2.088 295 D HA -0.114 4.525 4.640 -0.001 0.000 0.191 295 D C 2.513 178.833 176.300 0.033 0.000 0.992 295 D CA 1.036 55.061 54.000 0.041 0.000 0.831 295 D CB -0.367 40.438 40.800 0.008 0.000 0.973 295 D HN 0.091 nan 8.370 nan 0.000 0.447 296 L N 1.259 122.476 121.223 -0.010 0.000 2.103 296 L HA -0.162 4.178 4.340 -0.001 0.000 0.215 296 L C 2.109 178.971 176.870 -0.013 0.000 1.080 296 L CA 2.131 56.966 54.840 -0.008 0.000 0.764 296 L CB -1.094 40.939 42.059 -0.043 0.000 0.890 296 L HN 0.076 nan 8.230 nan 0.000 0.435 297 G N -2.041 106.746 108.800 -0.022 0.000 2.920 297 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.208 297 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.208 297 G C 1.364 176.228 174.900 -0.060 0.000 1.159 297 G CA 0.640 45.722 45.100 -0.031 0.000 0.784 297 G HN 0.450 nan 8.290 nan 0.000 0.535 298 I N -0.992 119.537 120.570 -0.069 0.000 3.443 298 I HA 0.258 4.427 4.170 -0.001 0.000 0.277 298 I C 2.031 178.064 176.117 -0.138 0.000 1.169 298 I CA 0.385 61.590 61.300 -0.160 0.000 1.419 298 I CB 0.250 38.140 38.000 -0.184 0.000 1.331 298 I HN -0.104 nan 8.210 nan 0.000 0.458 299 E N 1.799 121.977 120.200 -0.037 0.000 2.171 299 E HA -0.110 4.239 4.350 -0.001 0.000 0.197 299 E C 0.914 177.514 176.600 -0.000 0.000 0.997 299 E CA 1.446 57.852 56.400 0.010 0.000 0.810 299 E CB -0.278 29.474 29.700 0.087 0.000 0.738 299 E HN 0.634 nan 8.360 nan 0.000 0.467 300 I N -3.257 117.305 120.570 -0.013 0.000 3.239 300 I HA 0.463 4.632 4.170 -0.001 0.000 0.314 300 I C -2.737 173.360 176.117 -0.034 0.000 1.126 300 I CA -2.965 58.330 61.300 -0.008 0.000 0.973 300 I CB 2.331 40.347 38.000 0.026 0.000 1.252 300 I HN -0.364 nan 8.210 nan 0.000 0.463 301 P HA 0.142 nan 4.420 nan 0.000 0.267 301 P C 0.363 177.651 177.300 -0.019 0.000 1.205 301 P CA 0.009 63.094 63.100 -0.026 0.000 0.765 301 P CB 1.196 32.887 31.700 -0.016 0.000 0.828 302 A N 4.839 127.652 122.820 -0.013 0.000 1.873 302 A HA -0.232 4.087 4.320 -0.001 0.000 0.218 302 A C 1.708 179.321 177.584 0.047 0.000 1.193 302 A CA 1.712 53.753 52.037 0.006 0.000 0.629 302 A CB -1.173 17.831 19.000 0.007 0.000 0.826 302 A HN 0.681 nan 8.150 nan 0.000 0.447 303 E N 0.027 120.264 120.200 0.061 0.000 2.501 303 E HA -0.179 4.171 4.350 -0.001 0.000 0.203 303 E C 1.059 177.731 176.600 0.120 0.000 1.072 303 E CA 1.338 57.816 56.400 0.130 0.000 0.885 303 E CB -0.215 29.543 29.700 0.095 0.000 0.813 303 E HN 0.693 nan 8.360 nan 0.000 0.556 304 K N 0.173 120.564 120.400 -0.015 0.000 2.380 304 K HA 0.131 4.451 4.320 -0.001 0.000 0.198 304 K C 1.856 178.285 176.600 -0.285 0.000 1.070 304 K CA 0.180 56.348 56.287 -0.197 0.000 1.040 304 K CB 0.749 33.169 32.500 -0.134 0.000 0.903 304 K HN -0.087 nan 8.250 nan 0.000 0.549 305 V N 2.155 122.004 119.914 -0.108 0.000 2.380 305 V HA -0.305 3.814 4.120 -0.001 0.000 0.251 305 V C 2.115 178.138 176.094 -0.118 0.000 1.063 305 V CA 2.141 64.390 62.300 -0.084 0.000 1.055 305 V CB -0.741 31.078 31.823 -0.006 0.000 0.657 305 V HN 0.363 nan 8.190 nan 0.000 0.455 306 F N 0.121 120.044 119.950 -0.045 0.000 2.234 306 F HA -0.061 4.466 4.527 -0.001 0.000 0.299 306 F C 1.912 177.676 175.800 -0.061 0.000 1.087 306 F CA 1.330 59.301 58.000 -0.049 0.000 1.340 306 F CB -1.034 37.944 39.000 -0.036 0.000 1.031 306 F HN 0.083 nan 8.300 nan 0.000 0.500 307 L N 0.986 121.556 121.223 -1.087 0.000 2.017 307 L HA -0.110 4.229 4.340 -0.001 0.000 0.208 307 L C 3.053 179.718 176.870 -0.343 0.000 1.073 307 L CA 1.255 55.690 54.840 -0.674 0.000 0.745 307 L CB -1.370 40.278 42.059 -0.684 0.000 0.894 307 L HN 0.326 nan 8.230 nan 0.000 0.432 308 A N -0.398 122.227 122.820 -0.325 0.000 1.865 308 A HA -0.318 4.002 4.320 -0.001 0.000 0.217 308 A C 2.286 179.727 177.584 -0.238 0.000 1.191 308 A CA 2.133 54.016 52.037 -0.257 0.000 0.623 308 A CB -0.769 18.105 19.000 -0.210 0.000 0.826 308 A HN 0.500 nan 8.150 nan 0.000 0.444 309 Q N -0.362 119.336 119.800 -0.170 0.000 2.014 309 Q HA -0.273 4.066 4.340 -0.001 0.000 0.207 309 Q C 2.113 178.043 176.000 -0.117 0.000 0.993 309 Q CA 2.293 58.023 55.803 -0.122 0.000 0.850 309 Q CB -0.165 28.548 28.738 -0.041 0.000 0.916 309 Q HN 0.684 nan 8.270 nan 0.000 0.417 310 K N 0.089 120.447 120.400 -0.069 0.000 2.009 310 K HA -0.176 4.143 4.320 -0.001 0.000 0.210 310 K C 2.191 178.728 176.600 -0.105 0.000 1.049 310 K CA 1.739 57.998 56.287 -0.048 0.000 0.929 310 K CB -0.327 32.186 32.500 0.020 0.000 0.714 310 K HN 0.323 nan 8.250 nan 0.000 0.440 311 M N 1.127 120.636 119.600 -0.151 0.000 2.082 311 M HA -0.240 4.239 4.480 -0.001 0.000 0.258 311 M C 1.966 178.102 176.300 -0.273 0.000 1.069 311 M CA 1.883 57.069 55.300 -0.190 0.000 1.102 311 M CB -0.322 32.146 32.600 -0.221 0.000 1.336 311 M HN 0.188 nan 8.290 nan 0.000 0.404 312 I N 0.115 120.450 120.570 -0.391 0.000 2.179 312 I HA -0.333 3.837 4.170 -0.001 0.000 0.242 312 I C 2.401 178.364 176.117 -0.257 0.000 1.088 312 I CA 1.271 62.234 61.300 -0.562 0.000 1.357 312 I CB -0.458 37.193 38.000 -0.582 0.000 1.051 312 I HN 0.317 nan 8.210 nan 0.000 0.409 313 I N 0.835 121.308 120.570 -0.161 0.000 2.127 313 I HA -0.245 3.924 4.170 -0.001 0.000 0.241 313 I C 2.731 178.817 176.117 -0.053 0.000 1.075 313 I CA 1.810 63.061 61.300 -0.083 0.000 1.334 313 I CB -0.940 37.026 38.000 -0.058 0.000 1.040 313 I HN 0.254 nan 8.210 nan 0.000 0.405 314 G N 1.056 109.821 108.800 -0.058 0.000 2.491 314 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.218 314 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.218 314 G C 1.716 176.607 174.900 -0.015 0.000 1.180 314 G CA 0.846 45.925 45.100 -0.036 0.000 0.774 314 G HN 0.360 nan 8.290 nan 0.000 0.562 315 R N -0.513 119.985 120.500 -0.003 0.000 2.148 315 R HA -0.010 4.330 4.340 -0.001 0.000 0.227 315 R C 2.542 178.898 176.300 0.093 0.000 1.103 315 R CA 1.066 57.210 56.100 0.072 0.000 0.983 315 R CB -0.743 29.663 30.300 0.176 0.000 0.874 315 R HN 0.397 nan 8.270 nan 0.000 0.451 316 C N 0.871 120.218 119.300 0.079 0.000 2.466 316 C HA 0.011 4.470 4.460 -0.001 0.000 0.278 316 C C 2.269 177.268 174.990 0.014 0.000 1.288 316 C CA 0.447 59.504 59.018 0.064 0.000 1.722 316 C CB -1.069 26.701 27.740 0.049 0.000 2.017 316 C HN 0.564 nan 8.230 nan 0.000 0.488 317 N N 0.410 119.109 118.700 -0.003 0.000 2.084 317 N HA -0.176 4.564 4.740 -0.001 0.000 0.190 317 N C 2.032 177.515 175.510 -0.046 0.000 1.030 317 N CA 0.901 53.935 53.050 -0.027 0.000 0.849 317 N CB -0.288 38.184 38.487 -0.026 0.000 1.012 317 N HN 0.495 nan 8.380 nan 0.000 0.423 318 R N 1.189 121.674 120.500 -0.025 0.000 2.103 318 R HA -0.134 4.205 4.340 -0.001 0.000 0.242 318 R C 1.998 178.283 176.300 -0.024 0.000 1.142 318 R CA 1.653 57.739 56.100 -0.024 0.000 0.960 318 R CB -0.149 30.151 30.300 0.000 0.000 0.858 318 R HN 0.176 nan 8.270 nan 0.000 0.439 319 A N -0.562 122.254 122.820 -0.007 0.000 2.016 319 A HA 0.172 4.491 4.320 -0.001 0.000 0.217 319 A C 1.446 179.017 177.584 -0.021 0.000 1.162 319 A CA 0.938 52.971 52.037 -0.007 0.000 0.662 319 A CB -0.223 18.781 19.000 0.006 0.000 0.812 319 A HN 0.623 nan 8.150 nan 0.000 0.450 320 G N -0.822 107.958 108.800 -0.032 0.000 2.171 320 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.238 320 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.238 320 G C -0.090 174.826 174.900 0.026 0.000 1.039 320 G CA 0.459 45.538 45.100 -0.035 0.000 0.759 320 G HN 0.575 nan 8.290 nan 0.000 0.501 321 K N 0.447 120.860 120.400 0.021 0.000 2.316 321 K HA 0.544 4.863 4.320 -0.001 0.000 0.251 321 K C -2.566 174.019 176.600 -0.025 0.000 0.934 321 K CA -2.300 54.001 56.287 0.023 0.000 0.802 321 K CB 2.580 35.074 32.500 -0.009 0.000 1.171 321 K HN -0.041 nan 8.250 nan 0.000 0.426 322 P HA -0.016 nan 4.420 nan 0.000 0.266 322 P C -0.976 176.232 177.300 -0.153 0.000 1.195 322 P CA -0.289 62.682 63.100 -0.214 0.000 0.768 322 P CB 0.727 32.126 31.700 -0.501 0.000 0.838 323 V N 4.627 124.465 119.914 -0.127 0.000 2.709 323 V HA 0.524 4.643 4.120 -0.001 0.000 0.308 323 V C -0.859 175.156 176.094 -0.132 0.000 1.062 323 V CA -1.000 61.234 62.300 -0.110 0.000 0.901 323 V CB 1.604 33.390 31.823 -0.061 0.000 1.003 323 V HN 0.288 nan 8.190 nan 0.000 0.425 324 I N 6.294 126.765 120.570 -0.164 0.000 2.378 324 I HA 0.444 4.614 4.170 -0.001 0.000 0.291 324 I C -0.129 175.912 176.117 -0.127 0.000 0.992 324 I CA -0.399 60.803 61.300 -0.164 0.000 1.154 324 I CB 1.571 39.415 38.000 -0.259 0.000 1.315 324 I HN 0.676 nan 8.210 nan 0.000 0.448 325 C N 6.555 125.803 119.300 -0.087 0.000 2.330 325 C HA 0.877 5.336 4.460 -0.001 0.000 0.344 325 C C 0.434 175.388 174.990 -0.059 0.000 1.273 325 C CA -0.057 58.920 59.018 -0.068 0.000 1.879 325 C CB -0.466 27.248 27.740 -0.043 0.000 2.376 325 C HN 0.896 nan 8.230 nan 0.000 0.534 326 A N 4.453 127.237 122.820 -0.059 0.000 2.479 326 A HA 0.921 5.240 4.320 -0.001 0.000 0.296 326 A C -0.041 177.529 177.584 -0.023 0.000 1.121 326 A CA -0.118 51.895 52.037 -0.040 0.000 0.743 326 A CB 0.877 19.843 19.000 -0.056 0.000 1.323 326 A HN 1.522 nan 8.150 nan 0.000 0.415 327 T N 1.405 115.956 114.554 -0.005 0.000 0.549 327 T HA -0.109 4.240 4.350 -0.001 0.000 0.773 327 T C 0.206 174.910 174.700 0.007 0.000 0.992 327 T CA 1.032 63.134 62.100 0.003 0.000 4.072 327 T CB -1.063 67.803 68.868 -0.003 0.000 2.300 327 T HN 1.629 nan 8.240 nan 0.000 0.397 328 Q N -0.278 119.531 119.800 0.014 0.000 2.406 328 Q HA -0.293 4.046 4.340 -0.001 0.000 0.236 328 Q C 1.551 177.560 176.000 0.015 0.000 0.799 328 Q CA 1.719 57.532 55.803 0.016 0.000 1.286 328 Q CB -1.486 27.262 28.738 0.017 0.000 1.615 328 Q HN 0.860 nan 8.270 nan 0.000 0.621 329 M N -0.591 119.017 119.600 0.014 0.000 2.080 329 M HA -0.144 4.335 4.480 -0.001 0.000 0.260 329 M C 1.127 177.435 176.300 0.014 0.000 1.068 329 M CA 1.425 56.733 55.300 0.012 0.000 1.109 329 M CB -0.086 32.520 32.600 0.012 0.000 1.342 329 M HN 0.147 nan 8.290 nan 0.000 0.405 330 L N -0.432 120.803 121.223 0.018 0.000 3.168 330 L HA 0.195 4.534 4.340 -0.001 0.000 0.277 330 L C 1.359 178.243 176.870 0.024 0.000 1.245 330 L CA 0.314 55.166 54.840 0.020 0.000 1.035 330 L CB -0.267 41.807 42.059 0.025 0.000 1.399 330 L HN 0.073 nan 8.230 nan 0.000 0.580 331 E N 0.954 121.168 120.200 0.023 0.000 2.181 331 E HA -0.356 3.993 4.350 -0.001 0.000 0.225 331 E C 2.256 178.873 176.600 0.029 0.000 1.073 331 E CA 2.376 58.791 56.400 0.025 0.000 0.916 331 E CB -0.068 29.646 29.700 0.023 0.000 0.793 331 E HN 0.515 nan 8.360 nan 0.000 0.472 332 S N -0.750 114.965 115.700 0.024 0.000 2.420 332 S HA -0.211 4.258 4.470 -0.001 0.000 0.237 332 S C 1.973 176.596 174.600 0.038 0.000 1.023 332 S CA 1.623 59.838 58.200 0.024 0.000 0.991 332 S CB -0.389 62.819 63.200 0.012 0.000 0.792 332 S HN 0.359 nan 8.310 nan 0.000 0.488 333 M N 0.232 119.857 119.600 0.042 0.000 2.686 333 M HA 0.229 4.708 4.480 -0.001 0.000 0.246 333 M C 1.431 177.814 176.300 0.138 0.000 1.096 333 M CA 0.409 55.752 55.300 0.073 0.000 1.076 333 M CB -0.411 32.217 32.600 0.047 0.000 1.504 333 M HN 0.352 nan 8.290 nan 0.000 0.524 334 I N 0.135 120.758 120.570 0.090 0.000 2.252 334 I HA -0.288 3.881 4.170 -0.001 0.000 0.245 334 I C 2.201 178.379 176.117 0.101 0.000 1.102 334 I CA 1.292 62.636 61.300 0.073 0.000 1.385 334 I CB -0.048 37.969 38.000 0.028 0.000 1.064 334 I HN 0.162 nan 8.210 nan 0.000 0.414 335 K N 0.152 120.623 120.400 0.118 0.000 2.354 335 K HA 0.217 4.536 4.320 -0.001 0.000 0.194 335 K C 0.202 176.989 176.600 0.313 0.000 1.045 335 K CA 0.346 56.720 56.287 0.144 0.000 1.026 335 K CB 0.516 33.049 32.500 0.056 0.000 0.866 335 K HN 0.230 nan 8.250 nan 0.000 0.530 336 K N 1.181 121.717 120.400 0.227 0.000 2.259 336 K HA 0.213 4.532 4.320 -0.001 0.000 0.252 336 K C -2.103 174.275 176.600 -0.370 0.000 0.936 336 K CA -1.985 54.308 56.287 0.009 0.000 0.810 336 K CB 2.123 34.607 32.500 -0.025 0.000 1.143 336 K HN -0.302 nan 8.250 nan 0.000 0.427 337 P HA -0.127 nan 4.420 nan 0.000 0.217 337 P C -0.399 176.670 177.300 -0.384 0.000 1.150 337 P CA 1.213 63.725 63.100 -0.980 0.000 0.832 337 P CB 0.396 31.631 31.700 -0.774 0.000 0.787 338 R N -0.397 119.960 120.500 -0.239 0.000 2.686 338 R HA 0.524 4.863 4.340 -0.001 0.000 0.286 338 R C -2.493 173.758 176.300 -0.081 0.000 0.969 338 R CA -2.195 53.830 56.100 -0.125 0.000 0.898 338 R CB 1.293 31.536 30.300 -0.095 0.000 1.183 338 R HN 0.019 nan 8.270 nan 0.000 0.456 339 P HA 0.140 nan 4.420 nan 0.000 0.293 339 P C -0.389 176.899 177.300 -0.021 0.000 1.304 339 P CA -0.544 62.540 63.100 -0.026 0.000 0.767 339 P CB 0.434 32.126 31.700 -0.013 0.000 1.247 340 T N -2.321 112.226 114.554 -0.012 0.000 2.847 340 T HA 0.275 4.624 4.350 -0.001 0.000 0.279 340 T C 1.372 176.067 174.700 -0.010 0.000 0.984 340 T CA -0.660 61.434 62.100 -0.010 0.000 0.988 340 T CB 0.577 69.442 68.868 -0.004 0.000 1.040 340 T HN 0.112 nan 8.240 nan 0.000 0.528 341 R N 1.007 121.501 120.500 -0.010 0.000 2.081 341 R HA 0.004 4.343 4.340 -0.001 0.000 0.235 341 R C 2.705 178.999 176.300 -0.010 0.000 1.131 341 R CA 1.597 57.691 56.100 -0.011 0.000 0.960 341 R CB -1.855 28.438 30.300 -0.012 0.000 0.856 341 R HN 0.853 nan 8.270 nan 0.000 0.436 342 A N 1.696 124.510 122.820 -0.009 0.000 1.940 342 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 342 A C 2.026 179.607 177.584 -0.006 0.000 1.176 342 A CA 1.591 53.622 52.037 -0.010 0.000 0.631 342 A CB -0.343 18.652 19.000 -0.008 0.000 0.814 342 A HN 0.445 nan 8.150 nan 0.000 0.446 343 E N -0.597 119.602 120.200 -0.003 0.000 2.106 343 E HA -0.059 4.290 4.350 -0.001 0.000 0.192 343 E C 2.121 178.721 176.600 -0.000 0.000 0.984 343 E CA 0.624 57.025 56.400 0.001 0.000 0.806 343 E CB -0.367 29.335 29.700 0.003 0.000 0.750 343 E HN 0.596 nan 8.360 nan 0.000 0.458 344 G N 1.124 109.922 108.800 -0.004 0.000 2.421 344 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.216 344 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.216 344 G C 1.655 176.553 174.900 -0.004 0.000 1.171 344 G CA 1.020 46.117 45.100 -0.005 0.000 0.775 344 G HN 0.322 nan 8.290 nan 0.000 0.543 345 S N 0.552 116.247 115.700 -0.007 0.000 2.359 345 S HA -0.206 4.263 4.470 -0.001 0.000 0.224 345 S C 2.046 176.643 174.600 -0.005 0.000 1.035 345 S CA 2.163 60.358 58.200 -0.009 0.000 1.018 345 S CB -0.584 62.607 63.200 -0.015 0.000 0.876 345 S HN 0.438 nan 8.310 nan 0.000 0.448 346 D N 0.277 120.675 120.400 -0.003 0.000 2.137 346 D HA -0.138 4.501 4.640 -0.001 0.000 0.189 346 D C 1.955 178.258 176.300 0.005 0.000 0.998 346 D CA 2.226 56.227 54.000 0.001 0.000 0.839 346 D CB -0.481 40.321 40.800 0.004 0.000 0.962 346 D HN 0.306 nan 8.370 nan 0.000 0.446 347 V N 0.837 120.754 119.914 0.005 0.000 2.324 347 V HA -0.281 3.838 4.120 -0.001 0.000 0.250 347 V C 2.583 178.682 176.094 0.008 0.000 1.060 347 V CA 2.069 64.373 62.300 0.007 0.000 1.042 347 V CB -1.247 30.581 31.823 0.009 0.000 0.650 347 V HN 0.405 nan 8.190 nan 0.000 0.450 348 A N 0.449 123.273 122.820 0.006 0.000 1.858 348 A HA -0.295 4.024 4.320 -0.001 0.000 0.216 348 A C 2.075 179.669 177.584 0.017 0.000 1.190 348 A CA 2.452 54.494 52.037 0.009 0.000 0.617 348 A CB -0.963 18.040 19.000 0.004 0.000 0.827 348 A HN 0.651 nan 8.150 nan 0.000 0.443 349 N N -0.099 118.610 118.700 0.016 0.000 2.223 349 N HA -0.052 4.687 4.740 -0.001 0.000 0.185 349 N C 1.830 177.355 175.510 0.025 0.000 1.016 349 N CA 1.128 54.193 53.050 0.024 0.000 0.863 349 N CB -0.242 38.254 38.487 0.015 0.000 0.983 349 N HN 0.512 nan 8.380 nan 0.000 0.429 350 A N 0.305 123.135 122.820 0.017 0.000 1.933 350 A HA -0.092 4.228 4.320 -0.001 0.000 0.218 350 A C 2.304 179.896 177.584 0.013 0.000 1.175 350 A CA 1.136 53.179 52.037 0.011 0.000 0.628 350 A CB -0.651 18.351 19.000 0.004 0.000 0.814 350 A HN 0.123 nan 8.150 nan 0.000 0.444 351 V N -0.093 119.831 119.914 0.017 0.000 2.453 351 V HA -0.197 3.922 4.120 -0.001 0.000 0.247 351 V C 2.522 178.632 176.094 0.027 0.000 1.048 351 V CA 1.757 64.070 62.300 0.021 0.000 1.049 351 V CB -0.593 31.244 31.823 0.024 0.000 0.672 351 V HN 0.563 nan 8.190 nan 0.000 0.457 352 L N -0.339 120.906 121.223 0.036 0.000 2.093 352 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 352 L C 2.377 179.280 176.870 0.055 0.000 1.085 352 L CA 1.389 56.261 54.840 0.052 0.000 0.755 352 L CB -0.760 41.343 42.059 0.074 0.000 0.904 352 L HN 0.349 nan 8.230 nan 0.000 0.435 353 D N 0.183 120.609 120.400 0.043 0.000 2.149 353 D HA -0.147 4.492 4.640 -0.001 0.000 0.198 353 D C 1.623 177.934 176.300 0.018 0.000 0.990 353 D CA 1.751 55.771 54.000 0.033 0.000 0.839 353 D CB -0.008 40.804 40.800 0.020 0.000 0.948 353 D HN 0.486 nan 8.370 nan 0.000 0.460 354 G N -0.461 108.346 108.800 0.012 0.000 2.276 354 G HA2 0.026 3.985 3.960 -0.001 0.000 0.177 354 G HA3 0.026 3.985 3.960 -0.001 0.000 0.177 354 G C 0.287 175.185 174.900 -0.003 0.000 1.017 354 G CA 0.080 45.183 45.100 0.005 0.000 0.750 354 G HN 0.538 nan 8.290 nan 0.000 0.506 355 A N 0.322 123.137 122.820 -0.007 0.000 2.540 355 A HA 0.483 4.803 4.320 -0.001 0.000 0.239 355 A C 1.071 178.647 177.584 -0.014 0.000 1.061 355 A CA 1.289 53.313 52.037 -0.021 0.000 0.758 355 A CB 0.183 19.168 19.000 -0.024 0.000 0.991 355 A HN 0.262 nan 8.150 nan 0.000 0.502 356 D N 0.078 120.458 120.400 -0.034 0.000 2.194 356 D HA 0.088 4.727 4.640 -0.001 0.000 0.204 356 D C 0.148 176.431 176.300 -0.029 0.000 0.964 356 D CA 1.406 55.389 54.000 -0.027 0.000 0.846 356 D CB 0.022 40.780 40.800 -0.070 0.000 0.962 356 D HN 0.609 nan 8.370 nan 0.000 0.490 357 C N -0.193 119.078 119.300 -0.047 0.000 3.171 357 C HA 0.710 5.169 4.460 -0.001 0.000 0.308 357 C C -0.650 174.321 174.990 -0.033 0.000 1.334 357 C CA -1.406 57.593 59.018 -0.032 0.000 1.473 357 C CB 1.171 28.889 27.740 -0.036 0.000 1.866 357 C HN 0.178 nan 8.230 nan 0.000 0.465 358 I N -0.682 119.880 120.570 -0.012 0.000 2.785 358 I HA 0.794 4.963 4.170 -0.001 0.000 0.302 358 I C -0.784 175.336 176.117 0.004 0.000 1.069 358 I CA -0.834 60.461 61.300 -0.008 0.000 1.045 358 I CB 1.630 39.632 38.000 0.004 0.000 1.236 358 I HN 0.651 nan 8.210 nan 0.000 0.429 359 M N 4.234 123.836 119.600 0.004 0.000 2.662 359 M HA 0.674 5.154 4.480 -0.001 0.000 0.310 359 M C -1.794 174.523 176.300 0.029 0.000 1.204 359 M CA -0.795 54.519 55.300 0.024 0.000 0.891 359 M CB 2.654 35.270 32.600 0.026 0.000 1.732 359 M HN 0.574 nan 8.290 nan 0.000 0.467 360 L N 1.096 122.343 121.223 0.040 0.000 2.409 360 L HA 0.500 4.839 4.340 -0.001 0.000 0.272 360 L C -0.384 176.511 176.870 0.042 0.000 0.980 360 L CA -0.195 54.668 54.840 0.038 0.000 0.826 360 L CB 2.150 44.231 42.059 0.037 0.000 1.268 360 L HN 0.728 nan 8.230 nan 0.000 0.407 361 S N 1.037 116.758 115.700 0.034 0.000 3.290 361 S HA 0.188 4.657 4.470 -0.001 0.000 0.176 361 S C 1.561 176.170 174.600 0.014 0.000 0.815 361 S CA 0.406 58.624 58.200 0.029 0.000 1.075 361 S CB -0.085 63.133 63.200 0.030 0.000 0.879 361 S HN 0.851 nan 8.310 nan 0.000 0.795 362 G N 1.098 109.902 108.800 0.008 0.000 2.501 362 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.220 362 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.220 362 G C 0.907 175.813 174.900 0.010 0.000 1.114 362 G CA 0.930 46.029 45.100 -0.001 0.000 0.757 362 G HN 0.548 nan 8.290 nan 0.000 0.559 363 E N -0.053 120.160 120.200 0.023 0.000 2.152 363 E HA -0.040 4.309 4.350 -0.001 0.000 0.192 363 E C 2.673 179.295 176.600 0.036 0.000 0.983 363 E CA 1.586 58.008 56.400 0.035 0.000 0.818 363 E CB -0.064 29.661 29.700 0.041 0.000 0.758 363 E HN 0.563 nan 8.360 nan 0.000 0.467 364 T N -2.877 111.694 114.554 0.029 0.000 2.990 364 T HA 0.370 4.719 4.350 -0.001 0.000 0.249 364 T C 1.860 176.573 174.700 0.021 0.000 1.039 364 T CA 0.217 62.334 62.100 0.028 0.000 1.036 364 T CB 0.335 69.222 68.868 0.032 0.000 0.994 364 T HN 0.116 nan 8.240 nan 0.000 0.489 365 A N 2.356 125.184 122.820 0.014 0.000 2.072 365 A HA 0.295 4.615 4.320 -0.001 0.000 0.216 365 A C 1.729 179.313 177.584 0.000 0.000 1.156 365 A CA 1.078 53.122 52.037 0.011 0.000 0.701 365 A CB -0.181 18.818 19.000 -0.002 0.000 0.816 365 A HN 0.674 nan 8.150 nan 0.000 0.458 366 K N -2.057 118.337 120.400 -0.010 0.000 2.646 366 K HA 0.288 4.607 4.320 -0.001 0.000 0.177 366 K C 0.368 176.952 176.600 -0.027 0.000 1.222 366 K CA 0.364 56.640 56.287 -0.018 0.000 1.138 366 K CB -0.703 31.780 32.500 -0.028 0.000 0.955 366 K HN 0.198 nan 8.250 nan 0.000 0.524 367 G N 0.146 108.936 108.800 -0.017 0.000 2.477 367 G HA2 0.248 4.208 3.960 -0.001 0.000 0.304 367 G HA3 0.248 4.208 3.960 -0.001 0.000 0.304 367 G C -0.318 174.540 174.900 -0.070 0.000 1.175 367 G CA -0.529 44.558 45.100 -0.021 0.000 0.907 367 G HN 0.119 nan 8.290 nan 0.000 0.509 368 D N -0.764 119.551 120.400 -0.143 0.000 2.355 368 D HA -0.006 4.633 4.640 -0.001 0.000 0.218 368 D C -0.137 175.838 176.300 -0.541 0.000 1.004 368 D CA 1.010 54.796 54.000 -0.355 0.000 0.880 368 D CB 0.293 40.790 40.800 -0.506 0.000 0.911 368 D HN 0.380 nan 8.370 nan 0.000 0.528 369 Y N -0.200 120.099 120.300 -0.002 0.000 2.516 369 Y HA 0.222 4.772 4.550 -0.001 0.000 0.341 369 Y C -1.614 174.290 175.900 0.006 0.000 0.912 369 Y CA -2.048 56.053 58.100 0.003 0.000 1.167 369 Y CB 1.032 39.493 38.460 0.003 0.000 1.195 369 Y HN -0.087 nan 8.280 nan 0.000 0.610 370 P HA -0.194 nan 4.420 nan 0.000 0.214 370 P C 1.705 179.050 177.300 0.075 0.000 1.163 370 P CA 1.532 64.673 63.100 0.069 0.000 0.883 370 P CB 0.542 32.262 31.700 0.033 0.000 0.788 371 L N -0.578 120.689 121.223 0.075 0.000 1.989 371 L HA -0.212 4.127 4.340 -0.001 0.000 0.211 371 L C 2.562 179.474 176.870 0.069 0.000 1.071 371 L CA 1.911 56.789 54.840 0.063 0.000 0.749 371 L CB -1.226 40.868 42.059 0.060 0.000 0.890 371 L HN -0.036 nan 8.230 nan 0.000 0.431 372 E N 0.199 120.458 120.200 0.098 0.000 2.118 372 E HA -0.195 4.154 4.350 -0.001 0.000 0.195 372 E C 2.213 178.849 176.600 0.059 0.000 0.992 372 E CA 1.345 57.788 56.400 0.072 0.000 0.804 372 E CB -0.302 29.438 29.700 0.066 0.000 0.741 372 E HN 0.474 nan 8.360 nan 0.000 0.458 373 A N 0.390 123.255 122.820 0.076 0.000 1.865 373 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 373 A C 2.494 180.110 177.584 0.054 0.000 1.191 373 A CA 1.595 53.668 52.037 0.061 0.000 0.623 373 A CB -0.888 18.153 19.000 0.067 0.000 0.826 373 A HN 0.160 nan 8.150 nan 0.000 0.444 374 V N -0.236 119.709 119.914 0.052 0.000 2.287 374 V HA -0.300 3.819 4.120 -0.001 0.000 0.248 374 V C 2.651 178.785 176.094 0.066 0.000 1.053 374 V CA 2.420 64.749 62.300 0.049 0.000 1.027 374 V CB -0.808 31.032 31.823 0.029 0.000 0.646 374 V HN 0.552 nan 8.190 nan 0.000 0.447 375 R N -1.190 119.344 120.500 0.058 0.000 2.112 375 R HA -0.262 4.077 4.340 -0.001 0.000 0.242 375 R C 2.318 178.688 176.300 0.117 0.000 1.137 375 R CA 2.288 58.432 56.100 0.074 0.000 0.944 375 R CB -0.489 29.842 30.300 0.052 0.000 0.857 375 R HN 0.348 nan 8.270 nan 0.000 0.435 376 M N 1.082 120.727 119.600 0.075 0.000 2.080 376 M HA -0.219 4.260 4.480 -0.001 0.000 0.260 376 M C 1.850 178.189 176.300 0.065 0.000 1.068 376 M CA 1.777 57.112 55.300 0.058 0.000 1.109 376 M CB -0.496 32.123 32.600 0.031 0.000 1.342 376 M HN 0.143 nan 8.290 nan 0.000 0.405 377 Q N -1.810 118.034 119.800 0.073 0.000 2.170 377 Q HA -0.245 4.094 4.340 -0.001 0.000 0.203 377 Q C 2.087 178.138 176.000 0.086 0.000 0.976 377 Q CA 1.846 57.688 55.803 0.065 0.000 0.858 377 Q CB -0.447 28.327 28.738 0.060 0.000 0.907 377 Q HN 0.711 nan 8.270 nan 0.000 0.433 378 H N 0.753 119.838 119.070 0.025 0.000 2.321 378 H HA -0.094 4.461 4.556 -0.001 0.000 0.300 378 H C 1.840 177.189 175.328 0.036 0.000 1.087 378 H CA 1.588 57.657 56.048 0.035 0.000 1.319 378 H CB -0.173 29.611 29.762 0.037 0.000 1.379 378 H HN 0.100 nan 8.280 nan 0.000 0.501 379 L N 0.044 121.267 121.223 0.000 0.000 1.961 379 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 379 L C 2.548 179.371 176.870 -0.078 0.000 1.072 379 L CA 1.456 56.261 54.840 -0.059 0.000 0.749 379 L CB -0.603 41.469 42.059 0.022 0.000 0.889 379 L HN 0.337 nan 8.230 nan 0.000 0.432 380 I N 0.508 121.060 120.570 -0.030 0.000 2.151 380 I HA -0.340 3.829 4.170 -0.001 0.000 0.243 380 I C 2.903 178.999 176.117 -0.034 0.000 1.080 380 I CA 1.708 62.994 61.300 -0.023 0.000 1.339 380 I CB -1.338 36.660 38.000 -0.004 0.000 1.039 380 I HN 0.264 nan 8.210 nan 0.000 0.409 381 A N 1.010 123.804 122.820 -0.042 0.000 1.917 381 A HA -0.231 4.088 4.320 -0.001 0.000 0.219 381 A C 2.517 180.070 177.584 -0.051 0.000 1.182 381 A CA 1.794 53.810 52.037 -0.034 0.000 0.633 381 A CB -0.669 18.319 19.000 -0.019 0.000 0.819 381 A HN 0.376 nan 8.150 nan 0.000 0.448 382 R N -1.243 119.183 120.500 -0.125 0.000 2.075 382 R HA -0.105 4.234 4.340 -0.001 0.000 0.232 382 R C 2.267 178.541 176.300 -0.043 0.000 1.126 382 R CA 1.460 57.499 56.100 -0.103 0.000 0.963 382 R CB -0.234 29.957 30.300 -0.181 0.000 0.858 382 R HN 0.569 nan 8.270 nan 0.000 0.435 383 E N 0.441 120.613 120.200 -0.046 0.000 2.077 383 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 383 E C 1.717 178.317 176.600 -0.001 0.000 0.989 383 E CA 1.569 57.956 56.400 -0.022 0.000 0.800 383 E CB -0.062 29.623 29.700 -0.026 0.000 0.746 383 E HN 0.354 nan 8.360 nan 0.000 0.452 384 A N 0.207 123.029 122.820 0.004 0.000 2.014 384 A HA -0.111 4.208 4.320 -0.001 0.000 0.218 384 A C 1.859 179.476 177.584 0.055 0.000 1.163 384 A CA 1.283 53.334 52.037 0.024 0.000 0.652 384 A CB -0.339 18.673 19.000 0.019 0.000 0.808 384 A HN 0.215 nan 8.150 nan 0.000 0.449 385 E N -0.319 119.920 120.200 0.064 0.000 2.274 385 E HA 0.033 4.382 4.350 -0.001 0.000 0.194 385 E C 2.000 178.721 176.600 0.201 0.000 0.996 385 E CA 0.718 57.191 56.400 0.121 0.000 0.840 385 E CB -0.110 29.655 29.700 0.109 0.000 0.772 385 E HN 0.637 nan 8.360 nan 0.000 0.491 386 A N 0.875 123.772 122.820 0.128 0.000 1.943 386 A HA 0.212 4.531 4.320 -0.001 0.000 0.213 386 A C 2.200 179.878 177.584 0.155 0.000 1.181 386 A CA 0.794 52.907 52.037 0.127 0.000 0.653 386 A CB -0.119 18.906 19.000 0.042 0.000 0.833 386 A HN 0.233 nan 8.150 nan 0.000 0.451 387 A N -0.522 122.359 122.820 0.102 0.000 2.239 387 A HA 0.298 4.617 4.320 -0.001 0.000 0.209 387 A C 1.135 178.855 177.584 0.226 0.000 1.171 387 A CA 0.092 52.181 52.037 0.087 0.000 0.768 387 A CB -0.711 18.292 19.000 0.004 0.000 0.790 387 A HN 0.574 nan 8.150 nan 0.000 0.478 388 M N -1.655 118.066 119.600 0.202 0.000 2.184 388 M HA 0.116 4.595 4.480 -0.001 0.000 0.296 388 M C 0.227 176.590 176.300 0.106 0.000 1.165 388 M CA 0.322 55.654 55.300 0.054 0.000 1.175 388 M CB 0.145 32.563 32.600 -0.303 0.000 1.392 388 M HN 0.307 nan 8.290 nan 0.000 0.457 389 F N 0.895 120.636 119.950 -0.348 0.000 2.701 389 F HA 0.267 4.793 4.527 -0.001 0.000 0.315 389 F C 0.764 176.428 175.800 -0.226 0.000 1.277 389 F CA -0.847 56.833 58.000 -0.533 0.000 1.180 389 F CB -1.125 37.377 39.000 -0.830 0.000 1.273 389 F HN 0.536 nan 8.300 nan 0.000 0.532 390 H N -0.558 118.533 119.070 0.034 0.000 2.501 390 H HA -0.184 4.372 4.556 -0.001 0.000 0.296 390 H C 2.471 177.625 175.328 -0.291 0.000 1.115 390 H CA 2.012 57.997 56.048 -0.106 0.000 1.242 390 H CB 0.143 29.774 29.762 -0.217 0.000 1.363 390 H HN 0.291 nan 8.280 nan 0.000 0.537 391 R N 0.941 121.284 120.500 -0.262 0.000 2.066 391 R HA -0.052 4.288 4.340 -0.001 0.000 0.224 391 R C 2.064 178.160 176.300 -0.341 0.000 1.122 391 R CA 1.165 57.071 56.100 -0.323 0.000 0.974 391 R CB -0.024 30.099 30.300 -0.294 0.000 0.871 391 R HN 0.256 nan 8.270 nan 0.000 0.435 392 K N 0.547 120.471 120.400 -0.793 0.000 2.026 392 K HA -0.157 4.162 4.320 -0.001 0.000 0.208 392 K C 2.192 178.672 176.600 -0.200 0.000 1.048 392 K CA 1.316 57.263 56.287 -0.565 0.000 0.929 392 K CB -0.289 31.737 32.500 -0.790 0.000 0.713 392 K HN 0.034 nan 8.250 nan 0.000 0.439 393 L N 0.757 121.895 121.223 -0.141 0.000 2.021 393 L HA -0.214 4.125 4.340 -0.001 0.000 0.215 393 L C 2.006 178.935 176.870 0.098 0.000 1.074 393 L CA 1.809 56.653 54.840 0.007 0.000 0.760 393 L CB -0.731 41.336 42.059 0.012 0.000 0.889 393 L HN 0.252 nan 8.230 nan 0.000 0.433 394 F N 0.336 120.310 119.950 0.040 0.000 2.171 394 F HA -0.176 4.350 4.527 -0.001 0.000 0.300 394 F C 2.252 178.121 175.800 0.115 0.000 1.090 394 F CA 1.906 60.007 58.000 0.168 0.000 1.293 394 F CB -0.178 39.000 39.000 0.297 0.000 1.013 394 F HN 0.279 nan 8.300 nan 0.000 0.486 395 E N 0.127 120.399 120.200 0.119 0.000 2.028 395 E HA -0.210 4.140 4.350 -0.001 0.000 0.191 395 E C 2.061 178.626 176.600 -0.059 0.000 0.988 395 E CA 1.536 57.942 56.400 0.010 0.000 0.799 395 E CB -0.430 29.285 29.700 0.025 0.000 0.755 395 E HN 0.570 nan 8.360 nan 0.000 0.447 396 E N 0.704 120.882 120.200 -0.038 0.000 2.085 396 E HA -0.201 4.148 4.350 -0.001 0.000 0.194 396 E C 2.109 178.684 176.600 -0.042 0.000 0.994 396 E CA 0.726 57.105 56.400 -0.035 0.000 0.801 396 E CB -0.073 29.613 29.700 -0.023 0.000 0.743 396 E HN 0.098 nan 8.360 nan 0.000 0.453 397 L N 0.876 122.068 121.223 -0.050 0.000 2.046 397 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 397 L C 2.359 179.214 176.870 -0.026 0.000 1.077 397 L CA 1.732 56.542 54.840 -0.051 0.000 0.747 397 L CB -1.135 40.895 42.059 -0.048 0.000 0.896 397 L HN 0.047 nan 8.230 nan 0.000 0.432 398 A N -0.908 121.840 122.820 -0.121 0.000 1.902 398 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 398 A C 2.513 180.049 177.584 -0.079 0.000 1.181 398 A CA 1.505 53.452 52.037 -0.150 0.000 0.623 398 A CB -0.510 18.273 19.000 -0.361 0.000 0.818 398 A HN 0.336 nan 8.150 nan 0.000 0.443 399 R N 0.313 120.770 120.500 -0.071 0.000 2.088 399 R HA -0.168 4.171 4.340 -0.001 0.000 0.232 399 R C 2.600 178.885 176.300 -0.025 0.000 1.136 399 R CA 2.296 58.366 56.100 -0.050 0.000 0.926 399 R CB -0.798 29.481 30.300 -0.035 0.000 0.837 399 R HN 0.562 nan 8.270 nan 0.000 0.429 400 S N 0.236 115.933 115.700 -0.005 0.000 2.380 400 S HA -0.166 4.304 4.470 -0.001 0.000 0.229 400 S C 1.874 176.506 174.600 0.053 0.000 1.043 400 S CA 2.248 60.464 58.200 0.026 0.000 1.038 400 S CB -0.407 62.798 63.200 0.008 0.000 0.872 400 S HN 0.594 nan 8.310 nan 0.000 0.456 401 S N 1.294 117.020 115.700 0.042 0.000 2.603 401 S HA 0.068 4.537 4.470 -0.001 0.000 0.220 401 S C 1.820 176.438 174.600 0.029 0.000 0.967 401 S CA 0.748 58.989 58.200 0.067 0.000 0.920 401 S CB -0.583 62.695 63.200 0.131 0.000 0.773 401 S HN 0.820 nan 8.310 nan 0.000 0.529 402 S N 1.858 117.529 115.700 -0.048 0.000 2.441 402 S HA -0.271 4.198 4.470 -0.001 0.000 0.242 402 S C 1.345 175.775 174.600 -0.283 0.000 1.018 402 S CA 1.446 59.538 58.200 -0.181 0.000 0.988 402 S CB -0.907 62.162 63.200 -0.218 0.000 0.778 402 S HN 0.761 nan 8.310 nan 0.000 0.498 403 H N 0.941 120.007 119.070 -0.006 0.000 2.529 403 H HA 0.355 4.911 4.556 -0.001 0.000 0.277 403 H C 1.232 176.555 175.328 -0.008 0.000 0.999 403 H CA 0.765 56.809 56.048 -0.008 0.000 1.256 403 H CB -0.089 29.669 29.762 -0.008 0.000 1.402 403 H HN 0.409 nan 8.280 nan 0.000 0.566 404 S N -0.269 115.471 115.700 0.066 0.000 2.565 404 S HA 0.132 4.602 4.470 -0.001 0.000 0.274 404 S C 0.946 175.545 174.600 -0.002 0.000 1.309 404 S CA -0.309 57.913 58.200 0.036 0.000 1.043 404 S CB 0.750 63.975 63.200 0.041 0.000 0.939 404 S HN 0.292 nan 8.310 nan 0.000 0.504 405 T N 2.974 117.522 114.554 -0.010 0.000 3.231 405 T HA 0.172 4.521 4.350 -0.001 0.000 0.292 405 T C -0.442 174.232 174.700 -0.042 0.000 1.001 405 T CA -0.403 61.681 62.100 -0.027 0.000 0.920 405 T CB -0.193 68.662 68.868 -0.021 0.000 1.140 405 T HN 0.743 nan 8.240 nan 0.000 0.525 406 D N 1.429 121.803 120.400 -0.043 0.000 2.533 406 D HA 0.011 4.650 4.640 -0.001 0.000 0.236 406 D C 1.284 177.508 176.300 -0.126 0.000 1.137 406 D CA -0.221 53.729 54.000 -0.083 0.000 0.867 406 D CB 0.614 41.371 40.800 -0.070 0.000 1.170 406 D HN -0.073 nan 8.370 nan 0.000 0.474 407 L N 3.946 125.036 121.223 -0.221 0.000 1.989 407 L HA -0.162 4.177 4.340 -0.001 0.000 0.211 407 L C 2.193 178.852 176.870 -0.351 0.000 1.071 407 L CA 1.545 56.204 54.840 -0.302 0.000 0.749 407 L CB -0.978 40.853 42.059 -0.380 0.000 0.890 407 L HN 0.630 nan 8.230 nan 0.000 0.431 408 M N -0.733 118.532 119.600 -0.559 0.000 2.213 408 M HA -0.158 4.321 4.480 -0.001 0.000 0.263 408 M C 2.109 178.406 176.300 -0.005 0.000 1.062 408 M CA 1.459 56.618 55.300 -0.234 0.000 1.105 408 M CB -0.524 31.952 32.600 -0.206 0.000 1.385 408 M HN 0.274 nan 8.290 nan 0.000 0.417 409 E N -0.750 119.434 120.200 -0.025 0.000 2.150 409 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 409 E C 1.898 178.466 176.600 -0.054 0.000 0.985 409 E CA 1.024 57.450 56.400 0.043 0.000 0.814 409 E CB -0.104 29.632 29.700 0.060 0.000 0.752 409 E HN 0.621 nan 8.360 nan 0.000 0.466 410 A N 0.922 123.713 122.820 -0.048 0.000 1.858 410 A HA -0.219 4.101 4.320 -0.001 0.000 0.216 410 A C 2.078 179.653 177.584 -0.015 0.000 1.190 410 A CA 1.417 53.426 52.037 -0.047 0.000 0.617 410 A CB -0.454 18.536 19.000 -0.018 0.000 0.827 410 A HN 0.145 nan 8.150 nan 0.000 0.443 411 M N 0.100 119.735 119.600 0.059 0.000 2.073 411 M HA -0.158 4.321 4.480 -0.001 0.000 0.258 411 M C 2.340 178.673 176.300 0.057 0.000 1.070 411 M CA 1.857 57.217 55.300 0.100 0.000 1.103 411 M CB -0.887 31.860 32.600 0.245 0.000 1.321 411 M HN 0.445 nan 8.290 nan 0.000 0.405 412 A N -0.723 122.137 122.820 0.066 0.000 1.908 412 A HA -0.232 4.087 4.320 -0.001 0.000 0.218 412 A C 2.201 179.780 177.584 -0.009 0.000 1.181 412 A CA 2.186 54.269 52.037 0.077 0.000 0.627 412 A CB -0.710 18.407 19.000 0.195 0.000 0.818 412 A HN 0.598 nan 8.150 nan 0.000 0.445 413 M N -0.929 118.571 119.600 -0.166 0.000 2.200 413 M HA -0.052 4.427 4.480 -0.001 0.000 0.265 413 M C 2.321 178.617 176.300 -0.006 0.000 1.066 413 M CA 1.309 56.490 55.300 -0.197 0.000 1.127 413 M CB -0.555 31.782 32.600 -0.440 0.000 1.379 413 M HN 0.499 nan 8.290 nan 0.000 0.420 414 G N -0.389 108.393 108.800 -0.030 0.000 2.422 414 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.218 414 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.218 414 G C 1.588 176.453 174.900 -0.058 0.000 1.140 414 G CA 1.021 46.106 45.100 -0.026 0.000 0.775 414 G HN 0.416 nan 8.290 nan 0.000 0.545 415 S N 0.019 115.690 115.700 -0.049 0.000 2.345 415 S HA -0.077 4.392 4.470 -0.001 0.000 0.219 415 S C 2.469 176.975 174.600 -0.155 0.000 1.031 415 S CA 1.010 59.170 58.200 -0.067 0.000 0.984 415 S CB -0.317 62.872 63.200 -0.019 0.000 0.874 415 S HN 0.153 nan 8.310 nan 0.000 0.451 416 V N 2.163 121.969 119.914 -0.180 0.000 2.407 416 V HA -0.174 3.946 4.120 -0.001 0.000 0.248 416 V C 2.616 178.207 176.094 -0.838 0.000 1.055 416 V CA 2.054 64.088 62.300 -0.443 0.000 1.049 416 V CB -0.698 30.975 31.823 -0.249 0.000 0.662 416 V HN 0.428 nan 8.190 nan 0.000 0.455 417 E N 1.285 121.140 120.200 -0.575 0.000 2.017 417 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 417 E C 2.159 178.603 176.600 -0.260 0.000 0.997 417 E CA 2.020 58.133 56.400 -0.478 0.000 0.804 417 E CB -0.692 28.873 29.700 -0.226 0.000 0.757 417 E HN 0.446 nan 8.360 nan 0.000 0.448 418 A N 0.541 123.255 122.820 -0.177 0.000 1.917 418 A HA -0.241 4.078 4.320 -0.001 0.000 0.219 418 A C 2.497 180.018 177.584 -0.105 0.000 1.182 418 A CA 2.947 54.921 52.037 -0.105 0.000 0.633 418 A CB -1.342 17.611 19.000 -0.078 0.000 0.819 418 A HN 0.486 nan 8.150 nan 0.000 0.448 419 S N -1.422 114.177 115.700 -0.169 0.000 2.400 419 S HA -0.215 4.255 4.470 -0.001 0.000 0.232 419 S C 1.887 176.451 174.600 -0.061 0.000 1.025 419 S CA 1.683 59.801 58.200 -0.138 0.000 0.993 419 S CB -0.721 62.365 63.200 -0.191 0.000 0.808 419 S HN 0.535 nan 8.310 nan 0.000 0.478 420 Y N 1.922 122.147 120.300 -0.125 0.000 2.263 420 Y HA 0.222 4.771 4.550 -0.001 0.000 0.292 420 Y C 2.563 178.406 175.900 -0.095 0.000 1.130 420 Y CA 0.787 58.809 58.100 -0.130 0.000 1.179 420 Y CB -0.901 37.443 38.460 -0.193 0.000 0.998 420 Y HN 0.286 nan 8.280 nan 0.000 0.532 421 K N 0.979 121.419 120.400 0.066 0.000 2.002 421 K HA -0.135 4.184 4.320 -0.001 0.000 0.209 421 K C 1.955 178.563 176.600 0.014 0.000 1.048 421 K CA 1.996 58.299 56.287 0.026 0.000 0.930 421 K CB -0.887 31.614 32.500 0.001 0.000 0.714 421 K HN 0.416 nan 8.250 nan 0.000 0.438 422 C N -0.028 119.273 119.300 0.001 0.000 2.673 422 C HA 0.443 4.902 4.460 -0.001 0.000 0.274 422 C C 0.212 175.202 174.990 0.000 0.000 1.276 422 C CA -0.783 58.233 59.018 -0.004 0.000 1.701 422 C CB -1.243 26.488 27.740 -0.016 0.000 1.836 422 C HN 0.449 nan 8.230 nan 0.000 0.596 423 L N 0.762 121.993 121.223 0.013 0.000 3.597 423 L HA -0.162 4.177 4.340 -0.001 0.000 0.440 423 L C 1.134 178.007 176.870 0.005 0.000 1.277 423 L CA 0.531 55.379 54.840 0.014 0.000 0.852 423 L CB -2.653 39.412 42.059 0.010 0.000 1.708 423 L HN 0.756 nan 8.230 nan 0.000 0.885 424 A N -0.348 122.470 122.820 -0.004 0.000 2.555 424 A HA 0.445 4.764 4.320 -0.001 0.000 0.233 424 A C 1.615 179.206 177.584 0.012 0.000 1.060 424 A CA 0.806 52.837 52.037 -0.011 0.000 0.759 424 A CB 0.274 19.256 19.000 -0.030 0.000 0.995 424 A HN 0.993 nan 8.150 nan 0.000 0.506 425 A N 1.570 124.412 122.820 0.036 0.000 1.930 425 A HA 0.489 4.808 4.320 -0.001 0.000 0.215 425 A C 1.206 178.879 177.584 0.148 0.000 1.176 425 A CA 1.938 54.049 52.037 0.123 0.000 0.632 425 A CB -0.396 18.748 19.000 0.240 0.000 0.819 425 A HN 2.419 nan 8.150 nan 0.000 0.445 426 A N -2.255 120.639 122.820 0.124 0.000 2.536 426 A HA 0.650 4.969 4.320 -0.001 0.000 0.293 426 A C -1.956 175.663 177.584 0.058 0.000 1.119 426 A CA -0.576 51.528 52.037 0.111 0.000 0.654 426 A CB 0.280 19.474 19.000 0.324 0.000 1.291 426 A HN 0.354 nan 8.150 nan 0.000 0.439 427 L N 0.308 121.566 121.223 0.058 0.000 2.386 427 L HA 0.663 5.002 4.340 -0.001 0.000 0.271 427 L C -0.783 176.126 176.870 0.066 0.000 0.993 427 L CA 0.006 54.870 54.840 0.040 0.000 0.819 427 L CB 1.850 43.926 42.059 0.027 0.000 1.294 427 L HN 0.575 nan 8.230 nan 0.000 0.414 428 I N 3.499 124.097 120.570 0.045 0.000 2.382 428 I HA 0.513 4.682 4.170 -0.001 0.000 0.286 428 I C -0.922 175.215 176.117 0.034 0.000 1.002 428 I CA -0.766 60.565 61.300 0.051 0.000 1.135 428 I CB 1.759 39.780 38.000 0.034 0.000 1.288 428 I HN 0.217 nan 8.210 nan 0.000 0.448 429 V N 7.168 127.106 119.914 0.040 0.000 2.540 429 V HA 0.410 4.529 4.120 -0.001 0.000 0.302 429 V C -0.479 175.626 176.094 0.020 0.000 1.035 429 V CA -0.685 61.631 62.300 0.028 0.000 0.873 429 V CB 2.148 33.986 31.823 0.025 0.000 0.992 429 V HN 0.368 nan 8.190 nan 0.000 0.428 430 L N 4.072 125.305 121.223 0.016 0.000 2.283 430 L HA 0.710 5.049 4.340 -0.001 0.000 0.281 430 L C 0.181 177.072 176.870 0.035 0.000 1.033 430 L CA 0.673 55.523 54.840 0.016 0.000 0.848 430 L CB 1.272 43.330 42.059 -0.002 0.000 1.226 430 L HN 0.867 nan 8.230 nan 0.000 0.429 431 T N 0.914 115.479 114.554 0.019 0.000 2.896 431 T HA 0.503 4.852 4.350 -0.001 0.000 0.297 431 T C 0.438 175.148 174.700 0.017 0.000 1.108 431 T CA -0.368 61.740 62.100 0.013 0.000 1.004 431 T CB 1.381 70.219 68.868 -0.051 0.000 1.159 431 T HN 0.571 nan 8.240 nan 0.000 0.499 432 E N 0.812 121.029 120.200 0.028 0.000 2.207 432 E HA 0.055 4.404 4.350 -0.001 0.000 0.197 432 E C 2.221 178.841 176.600 0.033 0.000 0.914 432 E CA 0.933 57.356 56.400 0.039 0.000 0.914 432 E CB -0.491 29.245 29.700 0.060 0.000 0.893 432 E HN 0.659 nan 8.360 nan 0.000 0.479 433 S N 0.166 115.882 115.700 0.026 0.000 2.428 433 S HA 0.074 4.543 4.470 -0.001 0.000 0.230 433 S C 1.755 176.352 174.600 -0.004 0.000 1.014 433 S CA 1.044 59.268 58.200 0.039 0.000 0.957 433 S CB -0.110 63.119 63.200 0.049 0.000 0.784 433 S HN 0.388 nan 8.310 nan 0.000 0.499 434 G N 1.169 109.891 108.800 -0.131 0.000 2.141 434 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.242 434 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.242 434 G C 0.790 175.083 174.900 -1.012 0.000 0.982 434 G CA 0.429 45.282 45.100 -0.410 0.000 0.662 434 G HN 0.502 nan 8.290 nan 0.000 0.527 435 R N 0.792 121.023 120.500 -0.447 0.000 2.073 435 R HA 0.058 4.397 4.340 -0.001 0.000 0.234 435 R C 2.950 179.122 176.300 -0.214 0.000 1.134 435 R CA 2.180 58.138 56.100 -0.236 0.000 0.952 435 R CB -0.552 29.752 30.300 0.006 0.000 0.850 435 R HN 0.390 nan 8.270 nan 0.000 0.433 436 S N 0.193 115.821 115.700 -0.121 0.000 2.368 436 S HA -0.280 4.190 4.470 -0.001 0.000 0.226 436 S C 1.987 176.549 174.600 -0.062 0.000 1.044 436 S CA 1.514 59.706 58.200 -0.014 0.000 1.062 436 S CB -0.533 62.684 63.200 0.029 0.000 0.931 436 S HN 0.558 nan 8.310 nan 0.000 0.440 437 A N 2.098 124.808 122.820 -0.183 0.000 1.865 437 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 437 A C 1.848 179.362 177.584 -0.116 0.000 1.191 437 A CA 1.963 53.911 52.037 -0.149 0.000 0.623 437 A CB -1.199 17.678 19.000 -0.205 0.000 0.826 437 A HN 0.574 nan 8.150 nan 0.000 0.444 438 H N -0.045 118.884 119.070 -0.235 0.000 2.357 438 H HA -0.153 4.402 4.556 -0.001 0.000 0.296 438 H C 2.205 177.435 175.328 -0.163 0.000 1.108 438 H CA 1.735 57.529 56.048 -0.423 0.000 1.273 438 H CB -0.492 28.915 29.762 -0.591 0.000 1.367 438 H HN 0.544 nan 8.280 nan 0.000 0.498 439 Q N 0.256 120.088 119.800 0.053 0.000 2.124 439 Q HA -0.081 4.259 4.340 -0.001 0.000 0.202 439 Q C 2.623 178.735 176.000 0.187 0.000 0.977 439 Q CA 1.013 56.883 55.803 0.112 0.000 0.850 439 Q CB -0.229 28.580 28.738 0.118 0.000 0.901 439 Q HN 0.342 nan 8.270 nan 0.000 0.429 440 V N 0.812 120.814 119.914 0.147 0.000 2.323 440 V HA -0.173 3.946 4.120 -0.001 0.000 0.244 440 V C 2.351 178.554 176.094 0.182 0.000 1.041 440 V CA 1.635 64.043 62.300 0.179 0.000 1.025 440 V CB -1.039 30.851 31.823 0.111 0.000 0.656 440 V HN 0.285 nan 8.190 nan 0.000 0.451 441 A N 1.223 124.122 122.820 0.131 0.000 2.070 441 A HA -0.222 4.097 4.320 -0.001 0.000 0.220 441 A C 2.356 180.006 177.584 0.111 0.000 1.159 441 A CA 1.810 53.933 52.037 0.143 0.000 0.656 441 A CB -0.584 18.515 19.000 0.165 0.000 0.800 441 A HN 0.700 nan 8.150 nan 0.000 0.453 442 R N -1.816 118.707 120.500 0.038 0.000 2.115 442 R HA -0.119 4.220 4.340 -0.001 0.000 0.230 442 R C 1.037 177.161 176.300 -0.293 0.000 1.111 442 R CA 1.656 57.671 56.100 -0.142 0.000 0.976 442 R CB -0.622 29.531 30.300 -0.245 0.000 0.870 442 R HN 0.466 nan 8.270 nan 0.000 0.445 443 Y N 1.258 121.637 120.300 0.131 0.000 2.502 443 Y HA 0.220 4.769 4.550 -0.001 0.000 0.295 443 Y C 0.009 176.091 175.900 0.304 0.000 1.193 443 Y CA -0.188 58.033 58.100 0.201 0.000 1.295 443 Y CB 0.200 38.815 38.460 0.260 0.000 1.059 443 Y HN -0.066 nan 8.280 nan 0.000 0.514 444 R N -0.878 119.796 120.500 0.291 0.000 3.079 444 R HA -0.152 4.187 4.340 -0.001 0.000 0.254 444 R C -2.995 173.578 176.300 0.455 0.000 0.900 444 R CA -0.076 56.218 56.100 0.323 0.000 0.641 444 R CB -2.119 28.342 30.300 0.267 0.000 1.307 444 R HN 0.258 nan 8.270 nan 0.000 0.477 445 P HA 0.098 nan 4.420 nan 0.000 0.272 445 P C 0.845 178.354 177.300 0.348 0.000 1.240 445 P CA -0.324 62.903 63.100 0.211 0.000 0.791 445 P CB 0.608 32.343 31.700 0.058 0.000 0.978 446 R N 1.171 121.821 120.500 0.249 0.000 2.112 446 R HA 0.133 4.472 4.340 -0.001 0.000 0.216 446 R C 0.658 176.960 176.300 0.002 0.000 1.080 446 R CA 0.464 56.530 56.100 -0.056 0.000 0.996 446 R CB -0.321 29.776 30.300 -0.338 0.000 0.902 446 R HN 0.537 nan 8.270 nan 0.000 0.449 447 A N 2.436 125.259 122.820 0.006 0.000 2.332 447 A HA 0.402 4.722 4.320 -0.001 0.000 0.258 447 A C -2.287 175.278 177.584 -0.032 0.000 1.087 447 A CA -1.508 50.508 52.037 -0.034 0.000 0.802 447 A CB 0.095 19.083 19.000 -0.020 0.000 1.042 447 A HN 0.261 nan 8.150 nan 0.000 0.489 448 P HA 0.353 nan 4.420 nan 0.000 0.275 448 P C -0.982 176.299 177.300 -0.032 0.000 1.228 448 P CA 0.104 63.084 63.100 -0.201 0.000 0.786 448 P CB 0.519 31.694 31.700 -0.875 0.000 0.927 449 I N 2.772 123.431 120.570 0.148 0.000 2.339 449 I HA 0.303 4.472 4.170 -0.001 0.000 0.290 449 I C 0.437 176.697 176.117 0.239 0.000 0.994 449 I CA -0.472 60.929 61.300 0.168 0.000 1.191 449 I CB 0.757 38.857 38.000 0.167 0.000 1.343 449 I HN 0.122 nan 8.210 nan 0.000 0.458 450 I N 6.259 126.930 120.570 0.169 0.000 2.297 450 I HA 0.443 4.612 4.170 -0.001 0.000 0.291 450 I C 0.366 176.569 176.117 0.143 0.000 1.033 450 I CA -0.224 61.194 61.300 0.196 0.000 1.253 450 I CB 1.135 39.250 38.000 0.193 0.000 1.396 450 I HN 0.636 nan 8.210 nan 0.000 0.476 451 A N 7.077 129.980 122.820 0.139 0.000 2.260 451 A HA 0.601 4.920 4.320 -0.001 0.000 0.312 451 A C -0.290 177.329 177.584 0.058 0.000 1.321 451 A CA -0.419 51.661 52.037 0.072 0.000 0.928 451 A CB 0.327 19.353 19.000 0.044 0.000 1.158 451 A HN 0.473 nan 8.150 nan 0.000 0.542 452 V N 3.204 123.142 119.914 0.041 0.000 2.333 452 V HA 0.578 4.697 4.120 -0.001 0.000 0.274 452 V C 0.478 176.580 176.094 0.013 0.000 1.028 452 V CA 0.002 62.319 62.300 0.029 0.000 0.851 452 V CB 0.959 32.794 31.823 0.021 0.000 1.000 452 V HN 0.929 nan 8.190 nan 0.000 0.456 453 T N 4.459 119.016 114.554 0.005 0.000 2.900 453 T HA 0.417 4.767 4.350 -0.001 0.000 0.303 453 T C 0.535 175.213 174.700 -0.036 0.000 1.142 453 T CA -0.617 61.481 62.100 -0.004 0.000 1.007 453 T CB 1.767 70.637 68.868 0.002 0.000 1.156 453 T HN 0.623 nan 8.240 nan 0.000 0.490 454 R N 1.762 122.252 120.500 -0.017 0.000 2.334 454 R HA 0.204 4.543 4.340 -0.001 0.000 0.216 454 R C 0.240 176.535 176.300 -0.007 0.000 0.905 454 R CA -0.148 55.937 56.100 -0.025 0.000 1.064 454 R CB 0.235 30.554 30.300 0.031 0.000 1.046 454 R HN 0.365 nan 8.270 nan 0.000 0.508 455 N N 0.780 119.483 118.700 0.005 0.000 2.469 455 N HA 0.046 4.786 4.740 -0.001 0.000 0.253 455 N C 0.603 176.163 175.510 0.084 0.000 0.970 455 N CA -0.089 53.025 53.050 0.107 0.000 0.940 455 N CB 0.698 39.244 38.487 0.098 0.000 1.128 455 N HN 0.199 nan 8.380 nan 0.000 0.503 456 H N 1.892 121.015 119.070 0.088 0.000 2.389 456 H HA -0.122 4.433 4.556 -0.001 0.000 0.299 456 H C 1.111 176.503 175.328 0.106 0.000 1.081 456 H CA 1.099 57.212 56.048 0.109 0.000 1.345 456 H CB 0.545 30.374 29.762 0.111 0.000 1.393 456 H HN 0.641 nan 8.280 nan 0.000 0.520 457 Q N 0.703 120.636 119.800 0.222 0.000 2.016 457 Q HA -0.123 4.216 4.340 -0.001 0.000 0.200 457 Q C 2.214 178.304 176.000 0.151 0.000 0.978 457 Q CA 1.919 57.817 55.803 0.159 0.000 0.833 457 Q CB 0.146 28.957 28.738 0.123 0.000 0.895 457 Q HN 0.306 nan 8.270 nan 0.000 0.427 458 T N 0.818 115.456 114.554 0.140 0.000 2.653 458 T HA -0.280 4.069 4.350 -0.001 0.000 0.268 458 T C 1.723 176.503 174.700 0.133 0.000 1.035 458 T CA 1.472 63.655 62.100 0.138 0.000 1.154 458 T CB -0.544 68.381 68.868 0.095 0.000 0.862 458 T HN 0.492 nan 8.240 nan 0.000 0.441 459 A N 1.751 124.633 122.820 0.104 0.000 1.859 459 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 459 A C 2.376 180.031 177.584 0.118 0.000 1.198 459 A CA 2.006 54.092 52.037 0.083 0.000 0.629 459 A CB -0.650 18.386 19.000 0.059 0.000 0.830 459 A HN 0.475 nan 8.150 nan 0.000 0.446 460 R N -0.672 119.933 120.500 0.174 0.000 2.081 460 R HA -0.152 4.187 4.340 -0.001 0.000 0.235 460 R C 2.523 178.983 176.300 0.266 0.000 1.131 460 R CA 1.674 57.919 56.100 0.243 0.000 0.960 460 R CB -0.380 30.023 30.300 0.172 0.000 0.856 460 R HN 0.698 nan 8.270 nan 0.000 0.436 461 Q N 0.047 119.969 119.800 0.203 0.000 2.135 461 Q HA -0.135 4.205 4.340 -0.001 0.000 0.204 461 Q C 2.187 178.352 176.000 0.275 0.000 0.981 461 Q CA 1.419 57.350 55.803 0.214 0.000 0.856 461 Q CB -0.181 28.679 28.738 0.204 0.000 0.902 461 Q HN 0.392 nan 8.270 nan 0.000 0.425 462 A N 0.837 123.814 122.820 0.262 0.000 2.076 462 A HA -0.226 4.093 4.320 -0.001 0.000 0.220 462 A C 1.565 179.252 177.584 0.173 0.000 1.160 462 A CA 1.251 53.463 52.037 0.293 0.000 0.653 462 A CB -0.714 18.345 19.000 0.099 0.000 0.801 462 A HN 0.406 nan 8.150 nan 0.000 0.455 463 H N -1.176 117.962 119.070 0.113 0.000 2.489 463 H HA -0.104 4.451 4.556 -0.001 0.000 0.295 463 H C 1.877 177.195 175.328 -0.017 0.000 1.082 463 H CA 1.355 57.414 56.048 0.019 0.000 1.295 463 H CB -0.115 29.643 29.762 -0.007 0.000 1.380 463 H HN 0.330 nan 8.280 nan 0.000 0.548 464 L N 0.599 121.845 121.223 0.038 0.000 2.079 464 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 464 L C 0.178 176.822 176.870 -0.377 0.000 1.081 464 L CA 1.368 56.051 54.840 -0.262 0.000 0.752 464 L CB -0.893 40.806 42.059 -0.600 0.000 0.896 464 L HN 0.111 nan 8.230 nan 0.000 0.433 465 Y N -0.507 119.791 120.300 -0.003 0.000 2.313 465 Y HA 0.426 4.975 4.550 -0.001 0.000 0.332 465 Y C 0.841 176.747 175.900 0.009 0.000 1.071 465 Y CA -1.271 56.831 58.100 0.004 0.000 1.169 465 Y CB 0.259 38.744 38.460 0.042 0.000 1.192 465 Y HN -0.057 nan 8.280 nan 0.000 0.487 466 R N 1.788 122.384 120.500 0.160 0.000 2.504 466 R HA 0.273 4.612 4.340 -0.001 0.000 0.291 466 R C 1.069 177.452 176.300 0.138 0.000 0.974 466 R CA 1.139 57.306 56.100 0.112 0.000 1.077 466 R CB -0.561 29.798 30.300 0.098 0.000 0.926 466 R HN 1.006 nan 8.270 nan 0.000 0.407 467 G N 4.032 112.895 108.800 0.105 0.000 2.153 467 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.252 467 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.252 467 G C 0.050 175.082 174.900 0.220 0.000 0.994 467 G CA 0.315 45.535 45.100 0.201 0.000 0.698 467 G HN 0.570 nan 8.290 nan 0.000 0.521 468 I N 0.411 121.006 120.570 0.041 0.000 2.321 468 I HA 0.471 4.641 4.170 -0.001 0.000 0.291 468 I C -0.283 175.743 176.117 -0.150 0.000 0.998 468 I CA -0.893 60.453 61.300 0.076 0.000 1.227 468 I CB 0.856 38.903 38.000 0.079 0.000 1.368 468 I HN -0.062 nan 8.210 nan 0.000 0.466 469 F N 7.817 127.772 119.950 0.008 0.000 2.291 469 F HA 0.379 4.905 4.527 -0.001 0.000 0.368 469 F C -2.093 173.711 175.800 0.005 0.000 1.085 469 F CA -3.047 54.967 58.000 0.022 0.000 1.165 469 F CB 0.230 39.315 39.000 0.141 0.000 1.429 469 F HN 0.224 nan 8.300 nan 0.000 0.503 470 P HA 0.231 nan 4.420 nan 0.000 0.275 470 P C -0.671 176.664 177.300 0.059 0.000 1.228 470 P CA -0.179 62.922 63.100 0.002 0.000 0.786 470 P CB 2.131 33.767 31.700 -0.107 0.000 0.927 471 V N 3.481 123.434 119.914 0.065 0.000 2.653 471 V HA 0.090 4.210 4.120 -0.001 0.000 0.298 471 V C -0.205 175.927 176.094 0.063 0.000 1.097 471 V CA -0.736 61.616 62.300 0.086 0.000 0.908 471 V CB 2.354 34.236 31.823 0.098 0.000 1.024 471 V HN 0.240 nan 8.190 nan 0.000 0.435 472 V N 4.218 124.185 119.914 0.089 0.000 2.686 472 V HA 0.182 4.302 4.120 -0.001 0.000 0.295 472 V C 0.471 176.557 176.094 -0.013 0.000 1.055 472 V CA -0.151 62.144 62.300 -0.009 0.000 1.050 472 V CB 1.402 33.168 31.823 -0.096 0.000 0.984 472 V HN 0.972 nan 8.190 nan 0.000 0.482 473 C N 6.132 125.398 119.300 -0.056 0.000 2.239 473 C HA 0.424 4.884 4.460 -0.001 0.000 0.323 473 C C 1.228 176.203 174.990 -0.026 0.000 1.205 473 C CA -0.789 58.214 59.018 -0.025 0.000 1.584 473 C CB -0.613 27.118 27.740 -0.014 0.000 2.201 473 C HN 1.013 nan 8.230 nan 0.000 0.475 474 K N 2.447 122.842 120.400 -0.008 0.000 2.417 474 K HA 0.137 4.456 4.320 -0.001 0.000 0.196 474 K C 0.225 176.838 176.600 0.020 0.000 1.023 474 K CA 0.080 56.379 56.287 0.020 0.000 1.122 474 K CB 0.105 32.610 32.500 0.008 0.000 0.850 474 K HN 0.706 nan 8.250 nan 0.000 0.521 475 D N 1.885 122.292 120.400 0.011 0.000 2.304 475 D HA 0.129 4.768 4.640 -0.001 0.000 0.247 475 D C -2.325 173.984 176.300 0.016 0.000 1.089 475 D CA -1.558 52.447 54.000 0.008 0.000 0.910 475 D CB 1.242 42.041 40.800 -0.001 0.000 1.199 475 D HN -0.085 nan 8.370 nan 0.000 0.426 476 P HA 0.013 nan 4.420 nan 0.000 0.269 476 P C -0.338 176.973 177.300 0.018 0.000 1.215 476 P CA -0.361 62.750 63.100 0.019 0.000 0.780 476 P CB 0.535 32.243 31.700 0.014 0.000 0.898 477 V N 3.554 123.484 119.914 0.028 0.000 2.479 477 V HA -0.003 4.116 4.120 -0.001 0.000 0.281 477 V C 0.792 176.904 176.094 0.029 0.000 1.031 477 V CA 0.061 62.383 62.300 0.036 0.000 1.038 477 V CB -0.091 31.763 31.823 0.052 0.000 0.981 477 V HN 0.462 nan 8.190 nan 0.000 0.478 478 Q N 2.999 122.812 119.800 0.021 0.000 2.373 478 Q HA 0.154 4.493 4.340 -0.001 0.000 0.255 478 Q C 1.144 177.165 176.000 0.035 0.000 0.980 478 Q CA 0.105 55.916 55.803 0.012 0.000 0.882 478 Q CB 0.598 29.326 28.738 -0.015 0.000 1.249 478 Q HN 0.743 nan 8.270 nan 0.000 0.438 479 E N 0.783 120.998 120.200 0.025 0.000 2.150 479 E HA -0.026 4.323 4.350 -0.001 0.000 0.193 479 E C -0.404 176.224 176.600 0.047 0.000 0.985 479 E CA 0.717 57.137 56.400 0.033 0.000 0.814 479 E CB 0.310 30.020 29.700 0.018 0.000 0.752 479 E HN 0.592 nan 8.360 nan 0.000 0.466 480 A N 0.714 123.554 122.820 0.033 0.000 2.253 480 A HA 0.047 4.366 4.320 -0.001 0.000 0.316 480 A C 0.374 177.987 177.584 0.048 0.000 1.327 480 A CA -0.609 51.450 52.037 0.036 0.000 0.917 480 A CB -0.205 18.791 19.000 -0.007 0.000 1.162 480 A HN 0.537 nan 8.150 nan 0.000 0.535 481 W N 3.244 124.495 121.300 -0.080 0.000 2.290 481 W HA -0.377 4.282 4.660 -0.001 0.000 0.318 481 W C 1.611 178.059 176.519 -0.117 0.000 1.248 481 W CA 2.681 59.966 57.345 -0.099 0.000 1.263 481 W CB -0.179 29.208 29.460 -0.121 0.000 1.147 481 W HN 0.740 nan 8.180 nan 0.000 0.494 482 A N 0.269 122.940 122.820 -0.250 0.000 1.902 482 A HA -0.233 4.086 4.320 -0.001 0.000 0.217 482 A C 1.891 179.290 177.584 -0.309 0.000 1.181 482 A CA 1.832 53.648 52.037 -0.369 0.000 0.623 482 A CB -1.042 17.810 19.000 -0.247 0.000 0.818 482 A HN 0.481 nan 8.150 nan 0.000 0.443 483 E N -0.586 119.498 120.200 -0.194 0.000 2.058 483 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 483 E C 1.761 178.254 176.600 -0.178 0.000 0.997 483 E CA 1.227 57.538 56.400 -0.148 0.000 0.801 483 E CB -0.182 29.466 29.700 -0.086 0.000 0.746 483 E HN 0.587 nan 8.360 nan 0.000 0.450 484 D N 0.211 120.492 120.400 -0.198 0.000 2.104 484 D HA -0.149 4.491 4.640 -0.001 0.000 0.194 484 D C 1.990 178.111 176.300 -0.298 0.000 0.994 484 D CA 0.871 54.752 54.000 -0.198 0.000 0.830 484 D CB -0.125 40.590 40.800 -0.143 0.000 0.959 484 D HN -0.036 nan 8.370 nan 0.000 0.452 485 V N 1.245 120.848 119.914 -0.518 0.000 2.252 485 V HA -0.267 3.853 4.120 -0.001 0.000 0.249 485 V C 2.223 178.134 176.094 -0.305 0.000 1.056 485 V CA 2.177 64.148 62.300 -0.549 0.000 1.022 485 V CB -0.515 30.860 31.823 -0.746 0.000 0.641 485 V HN 0.279 nan 8.190 nan 0.000 0.445 486 D N -0.376 119.869 120.400 -0.257 0.000 2.104 486 D HA -0.198 4.442 4.640 -0.001 0.000 0.194 486 D C 2.154 178.381 176.300 -0.121 0.000 0.994 486 D CA 1.783 55.684 54.000 -0.166 0.000 0.830 486 D CB -0.093 40.622 40.800 -0.142 0.000 0.959 486 D HN 0.419 nan 8.370 nan 0.000 0.452 487 L N 1.213 122.363 121.223 -0.121 0.000 1.963 487 L HA -0.288 4.051 4.340 -0.001 0.000 0.220 487 L C 2.640 179.467 176.870 -0.072 0.000 1.076 487 L CA 1.724 56.514 54.840 -0.084 0.000 0.772 487 L CB -0.143 41.866 42.059 -0.082 0.000 0.892 487 L HN -0.072 nan 8.230 nan 0.000 0.435 488 R N -0.825 119.620 120.500 -0.092 0.000 2.091 488 R HA -0.162 4.177 4.340 -0.001 0.000 0.238 488 R C 2.076 178.348 176.300 -0.048 0.000 1.136 488 R CA 1.724 57.785 56.100 -0.065 0.000 0.959 488 R CB -0.653 29.601 30.300 -0.077 0.000 0.856 488 R HN 0.372 nan 8.270 nan 0.000 0.437 489 V N 2.032 121.902 119.914 -0.074 0.000 2.287 489 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 489 V C 1.858 177.938 176.094 -0.024 0.000 1.053 489 V CA 1.893 64.162 62.300 -0.052 0.000 1.027 489 V CB -0.601 31.173 31.823 -0.083 0.000 0.646 489 V HN 0.406 nan 8.190 nan 0.000 0.447 490 N N 0.166 118.847 118.700 -0.033 0.000 2.166 490 N HA -0.160 4.580 4.740 -0.001 0.000 0.186 490 N C 1.824 177.345 175.510 0.018 0.000 1.019 490 N CA 1.571 54.613 53.050 -0.012 0.000 0.856 490 N CB -0.299 38.173 38.487 -0.024 0.000 0.993 490 N HN 0.437 nan 8.380 nan 0.000 0.426 491 L N 1.413 122.644 121.223 0.013 0.000 2.083 491 L HA -0.048 4.291 4.340 -0.001 0.000 0.209 491 L C 2.224 179.130 176.870 0.059 0.000 1.083 491 L CA 1.513 56.370 54.840 0.029 0.000 0.752 491 L CB -0.740 41.329 42.059 0.017 0.000 0.899 491 L HN 0.066 nan 8.230 nan 0.000 0.433 492 A N -0.393 122.469 122.820 0.070 0.000 1.898 492 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 492 A C 2.219 179.938 177.584 0.225 0.000 1.181 492 A CA 2.003 54.117 52.037 0.128 0.000 0.620 492 A CB -0.531 18.538 19.000 0.113 0.000 0.819 492 A HN 0.521 nan 8.150 nan 0.000 0.442 493 M N -0.208 119.489 119.600 0.162 0.000 2.106 493 M HA -0.217 4.262 4.480 -0.001 0.000 0.259 493 M C 1.799 178.265 176.300 0.276 0.000 1.068 493 M CA 1.983 57.402 55.300 0.199 0.000 1.100 493 M CB -1.583 31.037 32.600 0.033 0.000 1.351 493 M HN 0.529 nan 8.290 nan 0.000 0.404 494 N N 0.220 119.001 118.700 0.135 0.000 2.084 494 N HA -0.113 4.626 4.740 -0.001 0.000 0.190 494 N C 1.780 177.311 175.510 0.034 0.000 1.030 494 N CA 1.328 54.426 53.050 0.081 0.000 0.849 494 N CB -0.241 38.269 38.487 0.039 0.000 1.012 494 N HN 0.080 nan 8.380 nan 0.000 0.423 495 V N 0.623 120.547 119.914 0.017 0.000 2.255 495 V HA -0.202 3.917 4.120 -0.001 0.000 0.247 495 V C 2.436 178.340 176.094 -0.317 0.000 1.051 495 V CA 2.163 64.404 62.300 -0.098 0.000 1.018 495 V CB -1.439 30.355 31.823 -0.049 0.000 0.641 495 V HN 0.452 nan 8.190 nan 0.000 0.445 496 G N -0.431 108.172 108.800 -0.328 0.000 2.476 496 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.218 496 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.218 496 G C 1.646 175.983 174.900 -0.939 0.000 1.164 496 G CA 1.409 45.864 45.100 -1.075 0.000 0.768 496 G HN 0.461 nan 8.290 nan 0.000 0.560 497 K N 0.461 120.681 120.400 -0.301 0.000 1.978 497 K HA 0.026 4.345 4.320 -0.001 0.000 0.214 497 K C 2.979 179.466 176.600 -0.189 0.000 1.049 497 K CA 1.465 57.706 56.287 -0.077 0.000 0.939 497 K CB -0.498 32.065 32.500 0.105 0.000 0.721 497 K HN 0.236 nan 8.250 nan 0.000 0.441 498 A N 0.837 123.545 122.820 -0.187 0.000 1.873 498 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 498 A C 1.969 179.367 177.584 -0.309 0.000 1.193 498 A CA 1.942 53.864 52.037 -0.190 0.000 0.629 498 A CB -0.534 18.379 19.000 -0.144 0.000 0.826 498 A HN 0.262 nan 8.150 nan 0.000 0.447 499 R N -0.943 119.221 120.500 -0.561 0.000 2.328 499 R HA 0.207 4.546 4.340 -0.001 0.000 0.200 499 R C 1.045 176.908 176.300 -0.730 0.000 0.983 499 R CA 0.571 56.179 56.100 -0.820 0.000 1.062 499 R CB -0.465 28.906 30.300 -1.548 0.000 0.956 499 R HN 0.745 nan 8.270 nan 0.000 0.479 500 G N 0.486 109.016 108.800 -0.451 0.000 2.323 500 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.292 500 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.292 500 G C 0.312 175.171 174.900 -0.067 0.000 1.040 500 G CA -0.006 44.977 45.100 -0.195 0.000 0.942 500 G HN 0.284 nan 8.290 nan 0.000 0.506 501 F N -0.696 118.984 119.950 -0.449 0.000 2.335 501 F HA 0.362 4.888 4.527 -0.001 0.000 0.296 501 F C 1.332 176.923 175.800 -0.350 0.000 1.091 501 F CA 0.326 58.007 58.000 -0.533 0.000 1.399 501 F CB -0.332 38.161 39.000 -0.844 0.000 1.067 501 F HN 0.417 nan 8.300 nan 0.000 0.520 502 F N -1.935 118.096 119.950 0.135 0.000 2.693 502 F HA 0.595 5.121 4.527 -0.001 0.000 0.309 502 F C -0.832 174.984 175.800 0.026 0.000 1.129 502 F CA -2.449 55.586 58.000 0.059 0.000 0.948 502 F CB 0.597 39.623 39.000 0.043 0.000 1.315 502 F HN -0.366 nan 8.300 nan 0.000 0.447 503 K N 0.464 121.046 120.400 0.303 0.000 2.267 503 K HA 0.459 4.778 4.320 -0.001 0.000 0.236 503 K C -0.826 175.842 176.600 0.113 0.000 1.030 503 K CA -1.317 55.072 56.287 0.171 0.000 0.930 503 K CB 1.496 34.051 32.500 0.091 0.000 1.182 503 K HN 0.696 nan 8.250 nan 0.000 0.474 504 K N 0.338 120.775 120.400 0.061 0.000 2.382 504 K HA 0.037 4.356 4.320 -0.001 0.000 0.275 504 K C 0.466 177.064 176.600 -0.003 0.000 1.009 504 K CA 1.039 57.333 56.287 0.012 0.000 0.970 504 K CB 0.181 32.687 32.500 0.010 0.000 0.934 504 K HN 0.794 nan 8.250 nan 0.000 0.479 505 G N 2.649 111.430 108.800 -0.032 0.000 2.143 505 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.249 505 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.249 505 G C -0.281 174.600 174.900 -0.032 0.000 0.981 505 G CA 0.316 45.398 45.100 -0.030 0.000 0.665 505 G HN 0.720 nan 8.290 nan 0.000 0.528 506 D N -0.756 119.616 120.400 -0.047 0.000 2.340 506 D HA 0.630 5.269 4.640 -0.001 0.000 0.251 506 D C 0.293 176.529 176.300 -0.106 0.000 1.080 506 D CA -0.250 53.727 54.000 -0.039 0.000 0.971 506 D CB 1.789 42.613 40.800 0.041 0.000 1.137 506 D HN 0.087 nan 8.370 nan 0.000 0.475 507 V N 1.489 121.354 119.914 -0.082 0.000 2.495 507 V HA 0.480 4.599 4.120 -0.001 0.000 0.298 507 V C -0.193 175.833 176.094 -0.113 0.000 1.031 507 V CA -0.586 61.654 62.300 -0.100 0.000 0.871 507 V CB 1.981 33.766 31.823 -0.062 0.000 0.988 507 V HN 0.242 nan 8.190 nan 0.000 0.432 508 V N 5.413 125.239 119.914 -0.146 0.000 2.789 508 V HA 0.525 4.644 4.120 -0.001 0.000 0.311 508 V C -0.651 175.392 176.094 -0.086 0.000 1.073 508 V CA -0.671 61.549 62.300 -0.132 0.000 0.921 508 V CB 2.380 34.046 31.823 -0.261 0.000 1.009 508 V HN 0.606 nan 8.190 nan 0.000 0.426 509 I N 4.532 125.071 120.570 -0.052 0.000 2.342 509 I HA 0.361 4.530 4.170 -0.001 0.000 0.291 509 I C -0.108 175.994 176.117 -0.025 0.000 1.010 509 I CA -0.332 60.945 61.300 -0.039 0.000 1.308 509 I CB 1.387 39.366 38.000 -0.036 0.000 1.400 509 I HN 0.189 nan 8.210 nan 0.000 0.488 510 V N 7.892 127.792 119.914 -0.024 0.000 2.347 510 V HA 0.361 4.480 4.120 -0.001 0.000 0.280 510 V C 0.101 176.197 176.094 0.003 0.000 1.021 510 V CA -0.562 61.729 62.300 -0.015 0.000 0.847 510 V CB 1.678 33.483 31.823 -0.031 0.000 0.990 510 V HN 0.443 nan 8.190 nan 0.000 0.444 511 L N 6.156 127.386 121.223 0.011 0.000 2.262 511 L HA 0.682 5.022 4.340 -0.001 0.000 0.288 511 L C 0.492 177.376 176.870 0.022 0.000 1.035 511 L CA 0.210 55.065 54.840 0.024 0.000 0.820 511 L CB 1.648 43.729 42.059 0.037 0.000 1.204 511 L HN 0.889 nan 8.230 nan 0.000 0.424 512 T N -0.243 114.330 114.554 0.032 0.000 2.804 512 T HA 0.782 5.131 4.350 -0.001 0.000 0.290 512 T C -0.112 174.649 174.700 0.103 0.000 1.099 512 T CA -0.689 61.438 62.100 0.044 0.000 1.011 512 T CB 1.792 70.656 68.868 -0.007 0.000 1.291 512 T HN 0.478 nan 8.240 nan 0.000 0.523 513 G N -0.734 108.200 108.800 0.222 0.000 2.389 513 G HA2 0.426 4.385 3.960 -0.001 0.000 0.328 513 G HA3 0.426 4.385 3.960 -0.001 0.000 0.328 513 G C 0.290 175.465 174.900 0.457 0.000 1.133 513 G CA -0.923 44.341 45.100 0.274 0.000 0.891 513 G HN 0.809 nan 8.290 nan 0.000 0.485 514 W N 2.046 123.408 121.300 0.104 0.000 2.354 514 W HA 0.001 4.661 4.660 -0.001 0.000 0.315 514 W C 0.442 177.091 176.519 0.216 0.000 1.206 514 W CA 0.742 58.171 57.345 0.140 0.000 1.290 514 W CB 0.359 29.822 29.460 0.006 0.000 1.152 514 W HN 0.400 nan 8.180 nan 0.000 0.489 515 R N -0.736 119.740 120.500 -0.039 0.000 2.807 515 R HA 0.315 4.654 4.340 -0.001 0.000 0.276 515 R C -2.489 173.126 176.300 -1.143 0.000 0.979 515 R CA -2.186 53.566 56.100 -0.581 0.000 0.928 515 R CB 0.555 30.676 30.300 -0.298 0.000 1.191 515 R HN -0.294 nan 8.270 nan 0.000 0.471 516 P HA 0.018 nan 4.420 nan 0.000 0.262 516 P C 0.110 176.985 177.300 -0.708 0.000 1.182 516 P CA 0.557 62.678 63.100 -1.633 0.000 0.761 516 P CB 0.408 31.530 31.700 -0.964 0.000 0.795 517 G N 2.469 110.986 108.800 -0.473 0.000 2.353 517 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.294 517 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.294 517 G C 0.866 175.657 174.900 -0.182 0.000 1.077 517 G CA 0.208 45.174 45.100 -0.223 0.000 1.098 517 G HN 0.498 nan 8.290 nan 0.000 0.511 518 S N -1.175 114.425 115.700 -0.168 0.000 2.524 518 S HA 0.414 4.884 4.470 -0.001 0.000 0.216 518 S C 2.276 176.872 174.600 -0.006 0.000 0.987 518 S CA 1.706 59.844 58.200 -0.103 0.000 0.909 518 S CB -0.083 63.052 63.200 -0.109 0.000 0.781 518 S HN 2.311 nan 8.310 nan 0.000 0.521 519 G N 1.101 109.940 108.800 0.065 0.000 3.922 519 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.208 519 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.208 519 G C -0.035 175.061 174.900 0.326 0.000 1.491 519 G CA 0.187 45.423 45.100 0.226 0.000 1.017 519 G HN 0.765 nan 8.290 nan 0.000 0.603 520 F N -1.350 118.623 119.950 0.037 0.000 2.726 520 F HA 0.825 5.351 4.527 -0.001 0.000 0.324 520 F C -0.010 175.834 175.800 0.073 0.000 1.140 520 F CA -0.827 57.199 58.000 0.043 0.000 0.964 520 F CB 0.963 39.983 39.000 0.032 0.000 1.399 520 F HN 0.120 nan 8.300 nan 0.000 0.491 521 T N 1.502 116.050 114.554 -0.010 0.000 2.961 521 T HA 0.129 4.478 4.350 -0.001 0.000 0.270 521 T C 0.713 175.234 174.700 -0.299 0.000 0.926 521 T CA 0.344 62.388 62.100 -0.094 0.000 1.112 521 T CB -1.515 67.384 68.868 0.053 0.000 0.926 521 T HN 0.738 nan 8.240 nan 0.000 0.612 522 N N 1.685 120.000 118.700 -0.641 0.000 2.268 522 N HA 0.057 4.796 4.740 -0.001 0.000 0.204 522 N C -0.327 175.090 175.510 -0.156 0.000 1.124 522 N CA -0.600 52.080 53.050 -0.616 0.000 0.838 522 N CB 0.625 38.578 38.487 -0.891 0.000 0.994 522 N HN 0.226 nan 8.380 nan 0.000 0.489 523 T N 0.802 115.336 114.554 -0.033 0.000 2.879 523 T HA 0.326 4.675 4.350 -0.001 0.000 0.290 523 T C -1.117 173.615 174.700 0.054 0.000 0.993 523 T CA -0.673 61.468 62.100 0.069 0.000 0.975 523 T CB 1.964 70.992 68.868 0.267 0.000 0.981 523 T HN 0.078 nan 8.240 nan 0.000 0.439 524 M N 3.282 122.905 119.600 0.038 0.000 2.395 524 M HA 0.581 5.060 4.480 -0.001 0.000 0.307 524 M C -1.554 174.757 176.300 0.019 0.000 1.091 524 M CA -0.480 54.834 55.300 0.023 0.000 0.919 524 M CB 1.999 34.606 32.600 0.011 0.000 1.662 524 M HN 0.667 nan 8.290 nan 0.000 0.440 525 R N 2.239 122.744 120.500 0.009 0.000 2.668 525 R HA 0.655 4.994 4.340 -0.001 0.000 0.272 525 R C -1.549 174.740 176.300 -0.019 0.000 1.019 525 R CA -0.853 55.248 56.100 0.001 0.000 0.894 525 R CB 2.801 33.106 30.300 0.007 0.000 1.228 525 R HN 0.524 nan 8.270 nan 0.000 0.460 526 V N 3.518 123.418 119.914 -0.024 0.000 2.407 526 V HA 0.437 4.557 4.120 -0.001 0.000 0.278 526 V C -0.161 175.907 176.094 -0.044 0.000 1.037 526 V CA -0.349 61.929 62.300 -0.037 0.000 0.900 526 V CB 1.506 33.309 31.823 -0.034 0.000 0.983 526 V HN 0.566 nan 8.190 nan 0.000 0.459 527 V N 4.873 124.748 119.914 -0.065 0.000 3.049 527 V HA 0.825 4.944 4.120 -0.001 0.000 0.309 527 V C -2.963 173.067 176.094 -0.106 0.000 1.148 527 V CA -2.406 59.848 62.300 -0.077 0.000 0.990 527 V CB 2.839 34.614 31.823 -0.080 0.000 1.039 527 V HN 0.657 nan 8.190 nan 0.000 0.430 528 P HA 0.436 nan 4.420 nan 0.000 0.286 528 P C -0.514 176.696 177.300 -0.151 0.000 1.261 528 P CA -0.419 62.614 63.100 -0.111 0.000 0.821 528 P CB 1.516 33.172 31.700 -0.074 0.000 1.013 529 V N 4.567 124.364 119.914 -0.196 0.000 2.572 529 V HA 0.161 4.281 4.120 -0.001 0.000 0.291 529 V C -1.671 174.351 176.094 -0.119 0.000 1.039 529 V CA -1.147 61.009 62.300 -0.239 0.000 1.055 529 V CB -0.054 31.571 31.823 -0.331 0.000 0.969 529 V HN 0.585 nan 8.190 nan 0.000 0.482 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.069 63.100 -0.051 0.000 0.800 530 P CB 0.000 31.672 31.700 -0.046 0.000 0.726