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 2wu8_1_A DATA FIRST_RESID 7 DATA SEQUENCE PDITATPAWD ALARHHDQIG NTHLRQFFAD DPGRGRELTV SVGDLYIDYS DATA SEQUENCE KHRVTRETLA LLIDLARTAH LEERRDQMFA GVHINTSEDR AVLHTALRLP DATA SEQUENCE RDAELVVDGQ DVVTDVHAVL DAMGAFTDRL RSGEWTGATG KRISTVVNIG DATA SEQUENCE IGGSDLGPVM VYQALRHYAD AGISARFVSN VDPADLIATL ADLDPATTLF DATA SEQUENCE IVASKTFSTL ETLTNATAAR RWLTDALGDA AVSRHFVAVS TNKRLVDDFG DATA SEQUENCE INTDNMFGFW DWVGGRYSVD SAIGLSLMTV IGRDAFADFL AGFHIIDRHF DATA SEQUENCE ATAPLESNAP VLLGLIGLWY SNFFGAQSRT VLPYSNDLSR FPAYLQQLTM DATA SEQUENCE ESNGKSTRAD GSPVSADTGE IFWGEPGTNG QHAFYQLLHQ GTRLVPADFI DATA SEQUENCE GFAQPLDDLP TAEGTGSMHD LLMSNFFAQT QVLAFGKTAE EIAADGTPAH DATA SEQUENCE VVAHKVMPGN RPSTSILASR LTPSVLGQLI ALYEHQVFTE GVVWGIDSFD DATA SEQUENCE QWGVELGKTQ AKALLPVITG AGSPPPQSDS STDGLVRRYR TERGRAGLE 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.307 177.300 0.012 0.000 1.155 7 P CA 0.000 63.117 63.100 0.028 0.000 0.800 7 P CB 0.000 31.725 31.700 0.041 0.000 0.726 8 D N 0.839 121.229 120.400 -0.017 0.000 2.342 8 D HA 0.036 4.409 4.640 -0.445 0.000 0.260 8 D C 0.929 177.179 176.300 -0.084 0.000 1.278 8 D CA -0.161 53.802 54.000 -0.061 0.000 0.910 8 D CB 0.551 41.300 40.800 -0.086 0.000 1.079 8 D HN 0.405 nan 8.370 nan 0.000 0.496 9 I N 3.563 124.081 120.570 -0.086 0.000 2.423 9 I HA -0.219 3.684 4.170 -0.445 0.000 0.254 9 I C 2.012 177.981 176.117 -0.246 0.000 1.151 9 I CA 1.397 62.659 61.300 -0.063 0.000 1.421 9 I CB -0.139 37.880 38.000 0.032 0.000 1.079 9 I HN 0.421 nan 8.210 nan 0.000 0.431 10 T N -0.633 113.575 114.554 -0.577 0.000 3.072 10 T HA 0.106 4.189 4.350 -0.445 0.000 0.266 10 T C 1.494 175.933 174.700 -0.435 0.000 1.127 10 T CA 0.958 62.414 62.100 -1.073 0.000 1.107 10 T CB -0.205 68.087 68.868 -0.960 0.000 0.910 10 T HN 0.474 nan 8.240 nan 0.000 0.513 11 A N 0.778 123.492 122.820 -0.177 0.000 2.348 11 A HA 0.309 4.362 4.320 -0.445 0.000 0.224 11 A C 1.273 178.885 177.584 0.047 0.000 1.227 11 A CA 0.174 52.187 52.037 -0.039 0.000 0.885 11 A CB -0.214 18.763 19.000 -0.039 0.000 0.933 11 A HN 0.557 nan 8.150 nan 0.000 0.506 12 T N -3.083 111.524 114.554 0.087 0.000 2.868 12 T HA 0.370 4.453 4.350 -0.445 0.000 0.292 12 T C -1.615 173.187 174.700 0.171 0.000 1.028 12 T CA -1.239 60.934 62.100 0.121 0.000 1.059 12 T CB 0.974 69.918 68.868 0.126 0.000 0.991 12 T HN -0.052 nan 8.240 nan 0.000 0.531 13 P HA -0.063 nan 4.420 nan 0.000 0.215 13 P C 1.775 179.154 177.300 0.131 0.000 1.153 13 P CA 1.597 64.765 63.100 0.113 0.000 0.853 13 P CB -0.362 31.379 31.700 0.068 0.000 0.788 14 A N -0.764 122.130 122.820 0.124 0.000 1.917 14 A HA -0.228 3.825 4.320 -0.445 0.000 0.219 14 A C 2.236 179.930 177.584 0.183 0.000 1.182 14 A CA 1.572 53.674 52.037 0.109 0.000 0.633 14 A CB -1.933 17.120 19.000 0.089 0.000 0.819 14 A HN 0.297 nan 8.150 nan 0.000 0.448 15 W N 0.646 122.016 121.300 0.116 0.000 2.379 15 W HA -0.178 4.215 4.660 -0.445 0.000 0.307 15 W C 1.666 178.322 176.519 0.228 0.000 1.200 15 W CA 2.164 59.643 57.345 0.224 0.000 1.297 15 W CB -0.524 29.065 29.460 0.215 0.000 1.140 15 W HN 0.529 nan 8.180 nan 0.000 0.507 16 D N 0.083 120.721 120.400 0.397 0.000 2.117 16 D HA -0.159 4.215 4.640 -0.445 0.000 0.197 16 D C 2.358 178.751 176.300 0.155 0.000 0.987 16 D CA 2.298 56.463 54.000 0.275 0.000 0.829 16 D CB -0.400 40.526 40.800 0.211 0.000 0.961 16 D HN 0.035 nan 8.370 nan 0.000 0.460 17 A N -0.087 122.794 122.820 0.102 0.000 1.908 17 A HA -0.146 3.907 4.320 -0.445 0.000 0.218 17 A C 2.339 179.926 177.584 0.005 0.000 1.181 17 A CA 1.175 53.236 52.037 0.039 0.000 0.627 17 A CB -0.836 18.163 19.000 -0.002 0.000 0.818 17 A HN 0.365 nan 8.150 nan 0.000 0.445 18 L N -0.980 120.195 121.223 -0.079 0.000 2.093 18 L HA -0.145 3.928 4.340 -0.445 0.000 0.208 18 L C 3.086 179.860 176.870 -0.161 0.000 1.085 18 L CA 0.926 55.619 54.840 -0.245 0.000 0.755 18 L CB -0.473 41.190 42.059 -0.659 0.000 0.904 18 L HN 0.429 nan 8.230 nan 0.000 0.435 19 A N 0.151 122.981 122.820 0.016 0.000 1.883 19 A HA -0.229 3.824 4.320 -0.445 0.000 0.217 19 A C 2.394 180.081 177.584 0.172 0.000 1.186 19 A CA 1.655 53.812 52.037 0.200 0.000 0.624 19 A CB -0.496 18.672 19.000 0.281 0.000 0.822 19 A HN 0.308 nan 8.150 nan 0.000 0.444 20 R N -1.889 118.697 120.500 0.143 0.000 2.081 20 R HA -0.162 3.911 4.340 -0.445 0.000 0.235 20 R C 2.283 178.673 176.300 0.150 0.000 1.131 20 R CA 1.605 57.782 56.100 0.128 0.000 0.960 20 R CB -0.523 29.840 30.300 0.104 0.000 0.856 20 R HN 0.786 nan 8.270 nan 0.000 0.436 21 H N 0.106 119.212 119.070 0.060 0.000 2.352 21 H HA -0.173 4.117 4.556 -0.445 0.000 0.299 21 H C 2.097 177.528 175.328 0.172 0.000 1.097 21 H CA 2.001 58.096 56.048 0.080 0.000 1.311 21 H CB -0.295 29.476 29.762 0.014 0.000 1.377 21 H HN 0.247 nan 8.280 nan 0.000 0.504 22 H N 0.135 119.249 119.070 0.074 0.000 2.387 22 H HA -0.114 4.175 4.556 -0.445 0.000 0.299 22 H C 1.122 176.373 175.328 -0.128 0.000 1.090 22 H CA 1.624 57.615 56.048 -0.094 0.000 1.332 22 H CB -0.008 29.595 29.762 -0.265 0.000 1.386 22 H HN 0.451 nan 8.280 nan 0.000 0.516 23 D N 0.389 120.799 120.400 0.018 0.000 2.182 23 D HA -0.135 4.238 4.640 -0.445 0.000 0.201 23 D C 2.234 178.479 176.300 -0.091 0.000 0.986 23 D CA 0.948 54.933 54.000 -0.024 0.000 0.847 23 D CB -0.088 40.739 40.800 0.046 0.000 0.942 23 D HN 0.441 nan 8.370 nan 0.000 0.467 24 Q N -0.442 119.303 119.800 -0.092 0.000 2.134 24 Q HA 0.127 4.201 4.340 -0.445 0.000 0.195 24 Q C 2.105 178.030 176.000 -0.126 0.000 0.958 24 Q CA 0.602 56.354 55.803 -0.084 0.000 0.840 24 Q CB 0.239 28.958 28.738 -0.032 0.000 0.918 24 Q HN 0.493 nan 8.270 nan 0.000 0.467 25 I N -4.309 116.150 120.570 -0.185 0.000 4.018 25 I HA 0.436 4.339 4.170 -0.445 0.000 0.337 25 I C 1.469 177.561 176.117 -0.041 0.000 1.327 25 I CA 0.313 61.570 61.300 -0.071 0.000 1.100 25 I CB 0.184 38.213 38.000 0.049 0.000 1.025 25 I HN 0.054 nan 8.210 nan 0.000 0.396 26 G N 1.942 110.519 108.800 -0.372 0.000 2.462 26 G HA2 -0.213 3.480 3.960 -0.445 0.000 0.220 26 G HA3 -0.213 3.480 3.960 -0.445 0.000 0.220 26 G C 1.118 175.916 174.900 -0.170 0.000 1.121 26 G CA 0.766 45.465 45.100 -0.668 0.000 0.758 26 G HN 0.439 nan 8.290 nan 0.000 0.559 27 N N -0.171 118.475 118.700 -0.091 0.000 2.205 27 N HA 0.064 4.537 4.740 -0.445 0.000 0.201 27 N C 0.230 175.765 175.510 0.042 0.000 1.128 27 N CA 0.071 53.128 53.050 0.011 0.000 0.867 27 N CB 0.477 38.954 38.487 -0.017 0.000 0.996 27 N HN 0.052 nan 8.380 nan 0.000 0.503 28 T N 0.880 115.436 114.554 0.003 0.000 2.930 28 T HA -0.032 4.051 4.350 -0.445 0.000 0.306 28 T C 0.145 174.820 174.700 -0.041 0.000 1.045 28 T CA 0.249 62.261 62.100 -0.147 0.000 1.134 28 T CB 1.088 69.649 68.868 -0.511 0.000 0.961 28 T HN 0.138 nan 8.240 nan 0.000 0.545 29 H N 2.249 121.249 119.070 -0.117 0.000 2.482 29 H HA 0.255 4.544 4.556 -0.445 0.000 0.344 29 H C 1.027 176.460 175.328 0.176 0.000 1.151 29 H CA -0.629 55.459 56.048 0.065 0.000 1.300 29 H CB 0.937 30.735 29.762 0.061 0.000 1.494 29 H HN 0.540 nan 8.280 nan 0.000 0.542 30 L N 3.111 124.412 121.223 0.130 0.000 2.131 30 L HA -0.169 3.904 4.340 -0.445 0.000 0.210 30 L C 2.771 180.088 176.870 0.745 0.000 1.092 30 L CA 1.018 56.163 54.840 0.510 0.000 0.759 30 L CB -0.195 41.902 42.059 0.064 0.000 0.903 30 L HN 0.600 nan 8.230 nan 0.000 0.435 31 R N -0.527 120.467 120.500 0.824 0.000 2.103 31 R HA -0.252 3.821 4.340 -0.445 0.000 0.242 31 R C 2.273 178.798 176.300 0.374 0.000 1.142 31 R CA 1.812 58.263 56.100 0.585 0.000 0.960 31 R CB -0.285 30.237 30.300 0.370 0.000 0.858 31 R HN 0.457 nan 8.270 nan 0.000 0.439 32 Q N -0.343 119.622 119.800 0.276 0.000 2.137 32 Q HA -0.097 3.976 4.340 -0.445 0.000 0.198 32 Q C 1.665 177.747 176.000 0.136 0.000 0.960 32 Q CA 1.000 56.867 55.803 0.106 0.000 0.847 32 Q CB 0.060 28.771 28.738 -0.045 0.000 0.915 32 Q HN 0.155 nan 8.270 nan 0.000 0.448 33 F N -0.258 119.847 119.950 0.259 0.000 2.120 33 F HA -0.227 4.033 4.527 -0.444 0.000 0.300 33 F C 1.754 177.632 175.800 0.131 0.000 1.095 33 F CA 1.371 59.483 58.000 0.186 0.000 1.249 33 F CB -0.537 38.593 39.000 0.217 0.000 0.995 33 F HN 0.124 nan 8.300 nan 0.000 0.480 34 F N -0.702 119.454 119.950 0.342 0.000 2.234 34 F HA -0.032 4.228 4.527 -0.445 0.000 0.296 34 F C 2.408 178.275 175.800 0.112 0.000 1.089 34 F CA 0.823 58.954 58.000 0.217 0.000 1.343 34 F CB -0.786 38.355 39.000 0.235 0.000 1.040 34 F HN -0.081 nan 8.300 nan 0.000 0.498 35 A N -0.087 122.885 122.820 0.254 0.000 1.933 35 A HA -0.188 3.865 4.320 -0.445 0.000 0.218 35 A C 1.738 179.374 177.584 0.087 0.000 1.175 35 A CA 2.075 54.189 52.037 0.128 0.000 0.628 35 A CB -0.657 18.397 19.000 0.090 0.000 0.814 35 A HN 0.256 nan 8.150 nan 0.000 0.444 36 D N -0.721 119.734 120.400 0.092 0.000 2.317 36 D HA 0.018 4.391 4.640 -0.445 0.000 0.211 36 D C -0.047 176.278 176.300 0.043 0.000 0.966 36 D CA 0.935 54.971 54.000 0.061 0.000 0.876 36 D CB 0.085 40.925 40.800 0.067 0.000 0.927 36 D HN 0.401 nan 8.370 nan 0.000 0.519 37 D N -0.796 119.622 120.400 0.030 0.000 2.656 37 D HA 0.159 4.532 4.640 -0.445 0.000 0.303 37 D C -1.994 174.270 176.300 -0.060 0.000 1.199 37 D CA -1.948 52.033 54.000 -0.031 0.000 0.797 37 D CB 1.153 41.911 40.800 -0.071 0.000 1.170 37 D HN -0.192 nan 8.370 nan 0.000 0.509 38 P HA -0.019 nan 4.420 nan 0.000 0.216 38 P C 1.338 178.637 177.300 -0.000 0.000 1.150 38 P CA 0.958 64.069 63.100 0.019 0.000 0.843 38 P CB 0.321 32.032 31.700 0.019 0.000 0.787 39 G N 0.072 108.855 108.800 -0.029 0.000 2.920 39 G HA2 -0.128 3.565 3.960 -0.445 0.000 0.208 39 G HA3 -0.128 3.565 3.960 -0.445 0.000 0.208 39 G C 1.429 176.289 174.900 -0.068 0.000 1.159 39 G CA -0.051 45.030 45.100 -0.032 0.000 0.784 39 G HN 0.316 nan 8.290 nan 0.000 0.535 40 R N 0.059 120.477 120.500 -0.136 0.000 2.127 40 R HA 0.004 4.077 4.340 -0.445 0.000 0.238 40 R C 2.411 178.613 176.300 -0.163 0.000 1.134 40 R CA 1.425 57.392 56.100 -0.220 0.000 0.975 40 R CB -0.955 29.095 30.300 -0.417 0.000 0.865 40 R HN 0.105 nan 8.270 nan 0.000 0.447 41 G N 1.025 109.801 108.800 -0.040 0.000 2.462 41 G HA2 -0.285 3.408 3.960 -0.445 0.000 0.220 41 G HA3 -0.285 3.408 3.960 -0.445 0.000 0.220 41 G C 1.620 176.542 174.900 0.037 0.000 1.121 41 G CA 0.755 45.901 45.100 0.076 0.000 0.758 41 G HN 0.419 nan 8.290 nan 0.000 0.559 42 R N -0.257 120.247 120.500 0.007 0.000 2.146 42 R HA 0.177 4.250 4.340 -0.445 0.000 0.206 42 R C 2.197 178.484 176.300 -0.022 0.000 1.049 42 R CA 0.661 56.777 56.100 0.026 0.000 1.029 42 R CB 0.128 30.445 30.300 0.027 0.000 0.949 42 R HN 0.364 nan 8.270 nan 0.000 0.471 43 E N 0.181 120.337 120.200 -0.072 0.000 2.250 43 E HA 0.049 4.132 4.350 -0.445 0.000 0.192 43 E C 0.319 176.817 176.600 -0.170 0.000 0.986 43 E CA 0.320 56.669 56.400 -0.085 0.000 0.849 43 E CB 0.387 30.047 29.700 -0.067 0.000 0.797 43 E HN 0.244 nan 8.360 nan 0.000 0.482 44 L N 2.466 123.488 121.223 -0.335 0.000 2.934 44 L HA 0.184 4.257 4.340 -0.445 0.000 0.233 44 L C 0.141 176.322 176.870 -1.148 0.000 1.358 44 L CA -0.194 54.162 54.840 -0.806 0.000 1.233 44 L CB -0.789 40.781 42.059 -0.815 0.000 1.594 44 L HN 0.070 nan 8.230 nan 0.000 0.439 45 T N -2.903 111.356 114.554 -0.491 0.000 2.896 45 T HA 0.723 4.806 4.350 -0.445 0.000 0.297 45 T C -0.559 174.131 174.700 -0.018 0.000 1.108 45 T CA -0.712 61.204 62.100 -0.307 0.000 1.004 45 T CB 2.775 71.429 68.868 -0.358 0.000 1.159 45 T HN -0.159 nan 8.240 nan 0.000 0.499 46 V N 1.723 121.628 119.914 -0.015 0.000 2.577 46 V HA 0.577 4.430 4.120 -0.445 0.000 0.303 46 V C -0.241 175.827 176.094 -0.043 0.000 1.042 46 V CA -0.840 61.481 62.300 0.036 0.000 0.872 46 V CB 2.098 33.980 31.823 0.099 0.000 0.998 46 V HN 1.086 nan 8.190 nan 0.000 0.423 47 S N 3.431 119.150 115.700 0.032 0.000 2.422 47 S HA 0.693 4.896 4.470 -0.445 0.000 0.308 47 S C -0.525 174.087 174.600 0.019 0.000 1.097 47 S CA -0.444 57.802 58.200 0.077 0.000 1.099 47 S CB 1.430 64.728 63.200 0.163 0.000 0.976 47 S HN 0.697 nan 8.310 nan 0.000 0.471 48 V N 3.947 123.841 119.914 -0.032 0.000 2.777 48 V HA 0.730 4.584 4.120 -0.445 0.000 0.306 48 V C 0.499 176.559 176.094 -0.055 0.000 1.112 48 V CA 0.633 62.870 62.300 -0.106 0.000 0.917 48 V CB 0.864 32.444 31.823 -0.405 0.000 1.018 48 V HN 1.109 nan 8.190 nan 0.000 0.426 49 G N 5.828 114.619 108.800 -0.016 0.000 2.622 49 G HA2 -0.278 3.415 3.960 -0.445 0.000 0.307 49 G HA3 -0.278 3.415 3.960 -0.445 0.000 0.307 49 G C 0.299 175.218 174.900 0.032 0.000 1.226 49 G CA 0.747 45.854 45.100 0.013 0.000 0.997 49 G HN 0.906 nan 8.290 nan 0.000 0.551 50 D N 0.732 121.154 120.400 0.037 0.000 2.358 50 D HA 0.308 4.682 4.640 -0.445 0.000 0.224 50 D C 0.134 176.477 176.300 0.071 0.000 1.123 50 D CA 0.153 54.188 54.000 0.058 0.000 0.833 50 D CB 0.376 41.213 40.800 0.062 0.000 0.946 50 D HN 0.039 nan 8.370 nan 0.000 0.505 51 L N 0.972 122.230 121.223 0.057 0.000 2.307 51 L HA 0.268 4.341 4.340 -0.445 0.000 0.284 51 L C -0.609 176.337 176.870 0.126 0.000 1.023 51 L CA -1.179 53.701 54.840 0.066 0.000 0.810 51 L CB 0.947 43.011 42.059 0.009 0.000 1.231 51 L HN -0.049 nan 8.230 nan 0.000 0.423 52 Y N 4.561 124.880 120.300 0.031 0.000 2.342 52 Y HA 0.626 4.909 4.550 -0.445 0.000 0.338 52 Y C -0.509 175.437 175.900 0.077 0.000 0.965 52 Y CA -0.662 57.469 58.100 0.052 0.000 1.159 52 Y CB 0.906 39.404 38.460 0.063 0.000 1.157 52 Y HN 0.473 nan 8.280 nan 0.000 0.486 53 I N 6.462 126.833 120.570 -0.331 0.000 2.382 53 I HA 0.204 4.107 4.170 -0.445 0.000 0.285 53 I C -0.935 175.018 176.117 -0.274 0.000 1.007 53 I CA -0.632 60.565 61.300 -0.172 0.000 1.142 53 I CB 1.174 39.154 38.000 -0.034 0.000 1.289 53 I HN 0.532 nan 8.210 nan 0.000 0.453 54 D N 6.955 127.245 120.400 -0.183 0.000 2.427 54 D HA 0.126 4.499 4.640 -0.445 0.000 0.226 54 D C -0.206 176.118 176.300 0.039 0.000 1.076 54 D CA -0.409 53.495 54.000 -0.159 0.000 0.849 54 D CB 0.752 41.531 40.800 -0.037 0.000 1.052 54 D HN 0.480 nan 8.370 nan 0.000 0.515 55 Y N 1.698 122.009 120.300 0.019 0.000 2.708 55 Y HA 0.241 4.524 4.550 -0.445 0.000 0.287 55 Y C 1.494 177.502 175.900 0.180 0.000 1.145 55 Y CA -0.272 57.921 58.100 0.155 0.000 1.249 55 Y CB -0.246 38.281 38.460 0.111 0.000 1.152 55 Y HN 0.205 nan 8.280 nan 0.000 0.532 56 S N 0.281 115.943 115.700 -0.063 0.000 2.414 56 S HA -0.031 4.172 4.470 -0.445 0.000 0.227 56 S C 1.021 175.722 174.600 0.168 0.000 1.022 56 S CA 0.110 58.275 58.200 -0.057 0.000 0.958 56 S CB -0.314 62.845 63.200 -0.069 0.000 0.797 56 S HN 0.467 nan 8.310 nan 0.000 0.493 57 K N 1.777 122.283 120.400 0.177 0.000 3.322 57 K HA 0.186 4.239 4.320 -0.445 0.000 0.291 57 K C -0.714 175.791 176.600 -0.158 0.000 1.131 57 K CA 0.139 56.472 56.287 0.077 0.000 1.185 57 K CB -0.329 32.063 32.500 -0.180 0.000 1.338 57 K HN 0.595 nan 8.250 nan 0.000 0.380 58 H N -0.499 118.626 119.070 0.092 0.000 2.731 58 H HA 0.287 4.576 4.556 -0.445 0.000 0.368 58 H C -0.159 175.119 175.328 -0.084 0.000 1.168 58 H CA -0.913 55.193 56.048 0.096 0.000 1.181 58 H CB 1.395 31.250 29.762 0.155 0.000 1.743 58 H HN -0.004 nan 8.280 nan 0.000 0.547 59 R N 2.125 122.736 120.500 0.185 0.000 4.164 59 R HA 0.152 4.226 4.340 -0.445 0.000 0.195 59 R C -0.877 175.276 176.300 -0.245 0.000 1.712 59 R CA -0.189 55.817 56.100 -0.158 0.000 1.457 59 R CB -0.685 29.837 30.300 0.370 0.000 1.387 59 R HN 0.284 nan 8.270 nan 0.000 0.785 60 V N -2.438 117.100 119.914 -0.626 0.000 2.971 60 V HA 0.585 4.438 4.120 -0.445 0.000 0.309 60 V C 0.166 176.048 176.094 -0.354 0.000 1.130 60 V CA -0.999 61.075 62.300 -0.377 0.000 0.964 60 V CB 2.006 33.644 31.823 -0.307 0.000 1.029 60 V HN 0.371 nan 8.190 nan 0.000 0.427 61 T N 0.724 115.229 114.554 -0.081 0.000 2.910 61 T HA 0.542 4.625 4.350 -0.445 0.000 0.279 61 T C 0.965 175.623 174.700 -0.070 0.000 0.989 61 T CA -0.667 61.440 62.100 0.013 0.000 0.968 61 T CB 1.416 70.380 68.868 0.159 0.000 1.135 61 T HN 0.687 nan 8.240 nan 0.000 0.562 62 R N 0.389 120.857 120.500 -0.053 0.000 2.120 62 R HA -0.014 4.059 4.340 -0.445 0.000 0.234 62 R C 2.181 178.408 176.300 -0.122 0.000 1.123 62 R CA 1.417 57.470 56.100 -0.078 0.000 0.975 62 R CB -1.056 29.211 30.300 -0.055 0.000 0.866 62 R HN 0.895 nan 8.270 nan 0.000 0.446 63 E N 0.427 120.554 120.200 -0.122 0.000 2.077 63 E HA -0.132 3.951 4.350 -0.445 0.000 0.193 63 E C 1.150 177.503 176.600 -0.411 0.000 0.989 63 E CA 1.633 57.898 56.400 -0.225 0.000 0.800 63 E CB 0.144 29.728 29.700 -0.193 0.000 0.746 63 E HN 0.266 nan 8.360 nan 0.000 0.452 64 T N 1.741 116.064 114.554 -0.384 0.000 2.684 64 T HA -0.180 3.903 4.350 -0.445 0.000 0.267 64 T C 1.952 176.338 174.700 -0.522 0.000 1.036 64 T CA 1.323 63.092 62.100 -0.552 0.000 1.148 64 T CB -0.271 68.305 68.868 -0.487 0.000 0.863 64 T HN 0.165 nan 8.240 nan 0.000 0.436 65 L N 0.694 121.702 121.223 -0.357 0.000 2.046 65 L HA -0.090 3.983 4.340 -0.445 0.000 0.208 65 L C 3.070 179.791 176.870 -0.248 0.000 1.077 65 L CA 1.235 55.904 54.840 -0.285 0.000 0.747 65 L CB -0.691 41.268 42.059 -0.166 0.000 0.896 65 L HN 0.265 nan 8.230 nan 0.000 0.432 66 A N 0.037 122.720 122.820 -0.228 0.000 1.898 66 A HA -0.128 3.925 4.320 -0.445 0.000 0.216 66 A C 2.251 179.709 177.584 -0.211 0.000 1.181 66 A CA 1.256 53.181 52.037 -0.187 0.000 0.620 66 A CB -0.629 18.275 19.000 -0.160 0.000 0.819 66 A HN 0.340 nan 8.150 nan 0.000 0.442 67 L N -0.711 120.337 121.223 -0.292 0.000 2.046 67 L HA -0.168 3.905 4.340 -0.445 0.000 0.208 67 L C 2.550 179.266 176.870 -0.257 0.000 1.077 67 L CA 0.978 55.645 54.840 -0.288 0.000 0.747 67 L CB -0.526 41.291 42.059 -0.403 0.000 0.896 67 L HN 0.367 nan 8.230 nan 0.000 0.432 68 L N -0.497 120.537 121.223 -0.315 0.000 2.046 68 L HA -0.232 3.841 4.340 -0.445 0.000 0.208 68 L C 2.455 179.230 176.870 -0.159 0.000 1.077 68 L CA 1.334 56.024 54.840 -0.250 0.000 0.747 68 L CB -0.318 41.554 42.059 -0.313 0.000 0.896 68 L HN 0.210 nan 8.230 nan 0.000 0.432 69 I N -0.446 120.029 120.570 -0.159 0.000 2.315 69 I HA -0.273 3.630 4.170 -0.445 0.000 0.248 69 I C 2.043 178.107 176.117 -0.088 0.000 1.117 69 I CA 0.963 62.196 61.300 -0.112 0.000 1.404 69 I CB -0.333 37.602 38.000 -0.109 0.000 1.071 69 I HN 0.257 nan 8.210 nan 0.000 0.419 70 D N 0.741 121.082 120.400 -0.098 0.000 2.104 70 D HA -0.206 4.167 4.640 -0.445 0.000 0.194 70 D C 2.022 178.292 176.300 -0.049 0.000 0.994 70 D CA 1.209 55.165 54.000 -0.074 0.000 0.830 70 D CB -0.327 40.426 40.800 -0.079 0.000 0.959 70 D HN 0.155 nan 8.370 nan 0.000 0.452 71 L N 0.858 122.059 121.223 -0.036 0.000 2.012 71 L HA -0.153 3.920 4.340 -0.445 0.000 0.210 71 L C 2.165 179.038 176.870 0.006 0.000 1.073 71 L CA 1.975 56.830 54.840 0.026 0.000 0.748 71 L CB -0.803 41.294 42.059 0.063 0.000 0.891 71 L HN -0.002 nan 8.230 nan 0.000 0.431 72 A N -0.467 122.339 122.820 -0.024 0.000 1.883 72 A HA -0.250 3.803 4.320 -0.445 0.000 0.217 72 A C 2.415 179.975 177.584 -0.040 0.000 1.186 72 A CA 2.020 54.043 52.037 -0.024 0.000 0.624 72 A CB -0.596 18.389 19.000 -0.024 0.000 0.822 72 A HN 0.513 nan 8.150 nan 0.000 0.444 73 R N -0.784 119.679 120.500 -0.061 0.000 2.081 73 R HA -0.107 3.966 4.340 -0.445 0.000 0.235 73 R C 2.450 178.626 176.300 -0.207 0.000 1.131 73 R CA 1.852 57.896 56.100 -0.094 0.000 0.960 73 R CB -0.877 29.378 30.300 -0.074 0.000 0.856 73 R HN 0.769 nan 8.270 nan 0.000 0.436 74 T N -1.576 112.875 114.554 -0.171 0.000 3.007 74 T HA 0.012 4.095 4.350 -0.445 0.000 0.270 74 T C 1.764 176.280 174.700 -0.307 0.000 1.107 74 T CA 1.060 63.016 62.100 -0.239 0.000 1.118 74 T CB 0.058 68.878 68.868 -0.079 0.000 0.889 74 T HN 0.224 nan 8.240 nan 0.000 0.506 75 A N 0.417 123.136 122.820 -0.168 0.000 2.275 75 A HA 0.209 4.262 4.320 -0.445 0.000 0.212 75 A C 0.701 178.302 177.584 0.029 0.000 1.201 75 A CA 0.139 52.148 52.037 -0.047 0.000 0.843 75 A CB -0.641 18.365 19.000 0.011 0.000 0.873 75 A HN 0.732 nan 8.150 nan 0.000 0.492 76 H N -1.788 117.304 119.070 0.037 0.000 2.886 76 H HA -0.154 4.135 4.556 -0.445 0.000 0.294 76 H C 1.066 176.430 175.328 0.060 0.000 1.246 76 H CA 0.840 56.912 56.048 0.040 0.000 1.142 76 H CB -1.918 27.867 29.762 0.039 0.000 1.358 76 H HN 0.520 nan 8.280 nan 0.000 0.406 77 L N 0.332 121.629 121.223 0.124 0.000 2.021 77 L HA -0.243 3.830 4.340 -0.445 0.000 0.215 77 L C 2.253 179.235 176.870 0.188 0.000 1.074 77 L CA 2.198 57.138 54.840 0.166 0.000 0.760 77 L CB -0.079 42.061 42.059 0.136 0.000 0.889 77 L HN 0.407 nan 8.230 nan 0.000 0.433 78 E N -0.764 119.494 120.200 0.096 0.000 2.106 78 E HA -0.275 3.808 4.350 -0.445 0.000 0.192 78 E C 1.986 178.612 176.600 0.044 0.000 0.984 78 E CA 1.150 57.564 56.400 0.023 0.000 0.806 78 E CB -0.055 29.632 29.700 -0.021 0.000 0.750 78 E HN 0.533 nan 8.360 nan 0.000 0.458 79 E N 0.890 121.146 120.200 0.093 0.000 2.031 79 E HA -0.198 3.885 4.350 -0.445 0.000 0.193 79 E C 2.149 178.816 176.600 0.113 0.000 0.994 79 E CA 0.772 57.219 56.400 0.079 0.000 0.800 79 E CB 0.209 29.953 29.700 0.073 0.000 0.752 79 E HN 0.034 nan 8.360 nan 0.000 0.447 80 R N 0.520 121.132 120.500 0.186 0.000 2.091 80 R HA -0.151 3.923 4.340 -0.445 0.000 0.238 80 R C 2.448 178.976 176.300 0.380 0.000 1.136 80 R CA 1.188 57.456 56.100 0.281 0.000 0.959 80 R CB -0.885 29.598 30.300 0.305 0.000 0.856 80 R HN 0.275 nan 8.270 nan 0.000 0.437 81 R N 1.083 121.778 120.500 0.325 0.000 2.080 81 R HA -0.152 3.921 4.340 -0.445 0.000 0.236 81 R C 1.268 177.602 176.300 0.056 0.000 1.137 81 R CA 2.020 58.135 56.100 0.025 0.000 0.943 81 R CB -0.167 29.998 30.300 -0.226 0.000 0.846 81 R HN 0.094 nan 8.270 nan 0.000 0.431 82 D N 0.565 120.997 120.400 0.052 0.000 2.123 82 D HA -0.175 4.198 4.640 -0.445 0.000 0.196 82 D C 2.047 178.390 176.300 0.071 0.000 0.992 82 D CA 1.253 55.286 54.000 0.054 0.000 0.833 82 D CB -0.298 40.490 40.800 -0.019 0.000 0.954 82 D HN 0.415 nan 8.370 nan 0.000 0.455 83 Q N -0.322 119.516 119.800 0.064 0.000 2.181 83 Q HA -0.129 3.944 4.340 -0.445 0.000 0.205 83 Q C 2.158 178.167 176.000 0.014 0.000 0.980 83 Q CA 0.907 56.740 55.803 0.049 0.000 0.862 83 Q CB -0.089 28.695 28.738 0.076 0.000 0.905 83 Q HN 0.347 nan 8.270 nan 0.000 0.429 84 M N -0.380 119.209 119.600 -0.018 0.000 2.077 84 M HA -0.153 4.060 4.480 -0.445 0.000 0.261 84 M C 1.459 177.592 176.300 -0.278 0.000 1.070 84 M CA 1.561 56.746 55.300 -0.192 0.000 1.125 84 M CB -0.041 32.349 32.600 -0.350 0.000 1.339 84 M HN 0.130 nan 8.290 nan 0.000 0.409 85 F N 0.639 120.463 119.950 -0.209 0.000 2.154 85 F HA -0.214 4.046 4.527 -0.444 0.000 0.301 85 F C 2.562 178.249 175.800 -0.188 0.000 1.087 85 F CA 1.567 59.442 58.000 -0.208 0.000 1.274 85 F CB -0.673 38.211 39.000 -0.193 0.000 1.009 85 F HN 0.305 nan 8.300 nan 0.000 0.485 86 A N -0.518 122.319 122.820 0.028 0.000 2.014 86 A HA 0.294 4.347 4.320 -0.445 0.000 0.218 86 A C 1.929 179.463 177.584 -0.084 0.000 1.163 86 A CA 1.163 53.183 52.037 -0.028 0.000 0.652 86 A CB -0.995 17.996 19.000 -0.015 0.000 0.808 86 A HN 0.681 nan 8.150 nan 0.000 0.449 87 G N -1.015 107.718 108.800 -0.111 0.000 2.141 87 G HA2 -0.011 3.683 3.960 -0.445 0.000 0.195 87 G HA3 -0.011 3.683 3.960 -0.445 0.000 0.195 87 G C 0.302 175.193 174.900 -0.014 0.000 1.012 87 G CA 0.368 45.380 45.100 -0.147 0.000 0.696 87 G HN 1.722 nan 8.290 nan 0.000 0.508 88 V N -1.832 118.098 119.914 0.027 0.000 3.003 88 V HA 0.517 4.371 4.120 -0.445 0.000 0.305 88 V C 0.897 177.112 176.094 0.201 0.000 1.078 88 V CA -0.572 61.804 62.300 0.128 0.000 1.083 88 V CB 0.637 32.499 31.823 0.065 0.000 1.039 88 V HN 0.360 nan 8.190 nan 0.000 0.481 89 H N 4.477 123.550 119.070 0.005 0.000 2.998 89 H HA 0.260 4.550 4.556 -0.443 0.000 0.241 89 H C 1.244 176.606 175.328 0.056 0.000 1.852 89 H CA 0.477 56.543 56.048 0.029 0.000 1.419 89 H CB 0.140 29.930 29.762 0.046 0.000 1.793 89 H HN 0.818 nan 8.280 nan 0.000 0.553 90 I N -1.053 119.601 120.570 0.139 0.000 3.111 90 I HA -0.057 3.846 4.170 -0.445 0.000 0.272 90 I C 0.816 177.058 176.117 0.208 0.000 1.268 90 I CA 0.593 61.990 61.300 0.161 0.000 1.467 90 I CB -0.137 37.968 38.000 0.175 0.000 1.087 90 I HN 0.244 nan 8.210 nan 0.000 0.467 91 N N 2.094 120.900 118.700 0.176 0.000 2.739 91 N HA -0.029 4.444 4.740 -0.445 0.000 0.266 91 N C 1.339 176.978 175.510 0.215 0.000 1.168 91 N CA 0.131 53.319 53.050 0.231 0.000 1.055 91 N CB 0.360 38.956 38.487 0.181 0.000 1.393 91 N HN 0.254 nan 8.380 nan 0.000 0.514 92 T N 0.472 115.154 114.554 0.214 0.000 2.746 92 T HA -0.182 3.901 4.350 -0.445 0.000 0.267 92 T C 2.054 176.876 174.700 0.203 0.000 1.039 92 T CA 2.123 64.335 62.100 0.187 0.000 1.142 92 T CB -0.267 68.691 68.868 0.150 0.000 0.866 92 T HN 0.563 nan 8.240 nan 0.000 0.444 93 S N 0.277 116.129 115.700 0.254 0.000 2.447 93 S HA -0.001 4.202 4.470 -0.445 0.000 0.233 93 S C 1.699 176.543 174.600 0.407 0.000 1.006 93 S CA 1.140 59.533 58.200 0.322 0.000 0.957 93 S CB -0.358 63.138 63.200 0.494 0.000 0.773 93 S HN 0.779 nan 8.310 nan 0.000 0.507 94 E N 0.244 120.646 120.200 0.337 0.000 2.526 94 E HA 0.134 4.217 4.350 -0.445 0.000 0.208 94 E C -0.485 176.240 176.600 0.208 0.000 0.997 94 E CA 0.135 56.704 56.400 0.282 0.000 0.961 94 E CB 0.189 29.989 29.700 0.167 0.000 1.030 94 E HN 0.504 nan 8.360 nan 0.000 0.483 95 D N 1.929 122.458 120.400 0.215 0.000 2.697 95 D HA -0.203 4.170 4.640 -0.445 0.000 0.235 95 D C -0.699 175.754 176.300 0.255 0.000 1.167 95 D CA 0.969 55.121 54.000 0.252 0.000 0.656 95 D CB -0.626 40.315 40.800 0.235 0.000 1.025 95 D HN 0.325 nan 8.370 nan 0.000 0.419 96 R N -1.125 119.418 120.500 0.072 0.000 2.855 96 R HA 0.871 4.944 4.340 -0.445 0.000 0.266 96 R C -0.306 175.791 176.300 -0.338 0.000 1.034 96 R CA -0.757 55.193 56.100 -0.251 0.000 0.944 96 R CB 0.842 31.099 30.300 -0.073 0.000 1.219 96 R HN 0.049 nan 8.270 nan 0.000 0.474 97 A N 0.750 123.279 122.820 -0.485 0.000 2.327 97 A HA 0.467 4.520 4.320 -0.445 0.000 0.255 97 A C -0.245 177.260 177.584 -0.131 0.000 1.099 97 A CA -0.474 51.395 52.037 -0.280 0.000 0.801 97 A CB 0.590 19.423 19.000 -0.279 0.000 1.062 97 A HN 0.367 nan 8.150 nan 0.000 0.496 98 V N 1.579 121.354 119.914 -0.232 0.000 2.385 98 V HA 0.293 4.146 4.120 -0.445 0.000 0.277 98 V C -0.203 175.658 176.094 -0.389 0.000 1.012 98 V CA 0.129 62.225 62.300 -0.340 0.000 0.832 98 V CB 0.531 31.877 31.823 -0.795 0.000 1.028 98 V HN 0.723 nan 8.190 nan 0.000 0.436 99 L N 4.422 125.550 121.223 -0.158 0.000 3.288 99 L HA 0.273 4.346 4.340 -0.445 0.000 0.293 99 L C 1.972 178.808 176.870 -0.058 0.000 1.294 99 L CA -0.234 54.409 54.840 -0.328 0.000 1.006 99 L CB 0.060 41.642 42.059 -0.795 0.000 1.407 99 L HN 0.809 nan 8.230 nan 0.000 0.592 100 H N -2.155 116.971 119.070 0.092 0.000 2.422 100 H HA -0.184 4.104 4.556 -0.447 0.000 0.298 100 H C 1.870 177.236 175.328 0.065 0.000 1.098 100 H CA 1.657 57.796 56.048 0.152 0.000 1.315 100 H CB -0.485 29.351 29.762 0.123 0.000 1.382 100 H HN 0.222 nan 8.280 nan 0.000 0.523 101 T N 0.621 114.966 114.554 -0.349 0.000 2.803 101 T HA -0.037 4.046 4.350 -0.445 0.000 0.269 101 T C 2.224 176.920 174.700 -0.006 0.000 1.052 101 T CA 1.430 63.452 62.100 -0.129 0.000 1.136 101 T CB -0.585 68.083 68.868 -0.333 0.000 0.864 101 T HN 0.600 nan 8.240 nan 0.000 0.467 102 A N 0.676 123.436 122.820 -0.099 0.000 2.067 102 A HA 0.153 4.206 4.320 -0.445 0.000 0.219 102 A C 2.203 179.798 177.584 0.018 0.000 1.158 102 A CA 0.901 52.882 52.037 -0.093 0.000 0.661 102 A CB -0.610 18.173 19.000 -0.363 0.000 0.801 102 A HN 0.604 nan 8.150 nan 0.000 0.452 103 L N -0.305 120.978 121.223 0.102 0.000 2.265 103 L HA -0.118 3.955 4.340 -0.445 0.000 0.215 103 L C 2.240 179.115 176.870 0.010 0.000 1.117 103 L CA 1.179 56.093 54.840 0.123 0.000 0.782 103 L CB -0.275 41.877 42.059 0.156 0.000 0.914 103 L HN 0.507 nan 8.230 nan 0.000 0.441 104 R N -0.227 120.275 120.500 0.004 0.000 2.577 104 R HA 0.272 4.345 4.340 -0.445 0.000 0.344 104 R C 0.014 176.331 176.300 0.028 0.000 1.037 104 R CA -0.231 55.869 56.100 0.000 0.000 1.102 104 R CB -0.449 29.849 30.300 -0.004 0.000 1.313 104 R HN 0.227 nan 8.270 nan 0.000 0.561 105 L N 2.922 124.170 121.223 0.043 0.000 2.426 105 L HA 0.289 4.362 4.340 -0.445 0.000 0.271 105 L C -1.927 174.955 176.870 0.020 0.000 1.169 105 L CA -1.903 52.924 54.840 -0.022 0.000 0.836 105 L CB 0.519 42.615 42.059 0.061 0.000 1.112 105 L HN -0.144 nan 8.230 nan 0.000 0.465 106 P HA 0.019 nan 4.420 nan 0.000 0.269 106 P C 0.239 177.495 177.300 -0.074 0.000 1.217 106 P CA -0.232 62.831 63.100 -0.062 0.000 0.783 106 P CB 0.513 32.130 31.700 -0.138 0.000 0.898 107 R N 1.562 121.885 120.500 -0.294 0.000 2.127 107 R HA -0.201 3.873 4.340 -0.445 0.000 0.238 107 R C 0.919 177.042 176.300 -0.295 0.000 1.134 107 R CA 2.241 57.934 56.100 -0.679 0.000 0.975 107 R CB -0.535 29.459 30.300 -0.511 0.000 0.865 107 R HN 0.606 nan 8.270 nan 0.000 0.447 108 D N -0.681 119.624 120.400 -0.159 0.000 2.349 108 D HA 0.087 4.460 4.640 -0.445 0.000 0.224 108 D C 0.090 176.352 176.300 -0.064 0.000 1.029 108 D CA 0.178 54.122 54.000 -0.092 0.000 0.879 108 D CB 0.235 40.998 40.800 -0.061 0.000 0.906 108 D HN 0.235 nan 8.370 nan 0.000 0.528 109 A N 0.625 123.409 122.820 -0.061 0.000 2.425 109 A HA 0.256 4.309 4.320 -0.445 0.000 0.242 109 A C 0.358 177.922 177.584 -0.032 0.000 1.077 109 A CA -0.315 51.704 52.037 -0.030 0.000 0.781 109 A CB 0.386 19.382 19.000 -0.008 0.000 1.020 109 A HN 0.118 nan 8.150 nan 0.000 0.494 110 E N 1.132 121.314 120.200 -0.029 0.000 2.114 110 E HA 0.495 4.578 4.350 -0.445 0.000 0.266 110 E C -1.453 175.119 176.600 -0.047 0.000 0.896 110 E CA -0.131 56.247 56.400 -0.037 0.000 0.750 110 E CB 1.554 31.234 29.700 -0.034 0.000 1.121 110 E HN 0.522 nan 8.360 nan 0.000 0.413 111 L N 3.185 124.372 121.223 -0.060 0.000 2.661 111 L HA 0.301 4.374 4.340 -0.445 0.000 0.263 111 L C -1.463 175.345 176.870 -0.103 0.000 0.956 111 L CA -0.667 54.120 54.840 -0.089 0.000 0.918 111 L CB 2.099 44.087 42.059 -0.118 0.000 1.280 111 L HN 0.266 nan 8.230 nan 0.000 0.416 112 V N 5.909 125.767 119.914 -0.093 0.000 2.487 112 V HA 0.721 4.574 4.120 -0.445 0.000 0.298 112 V C -1.159 174.877 176.094 -0.097 0.000 1.028 112 V CA -0.176 62.073 62.300 -0.086 0.000 0.860 112 V CB 2.144 33.936 31.823 -0.052 0.000 0.991 112 V HN 0.411 nan 8.190 nan 0.000 0.427 113 V N 5.701 125.546 119.914 -0.116 0.000 2.623 113 V HA 0.506 4.360 4.120 -0.445 0.000 0.304 113 V C -0.188 175.880 176.094 -0.043 0.000 1.054 113 V CA -0.555 61.681 62.300 -0.107 0.000 0.882 113 V CB 1.626 33.318 31.823 -0.217 0.000 1.002 113 V HN 0.965 nan 8.190 nan 0.000 0.424 114 D N 3.803 124.208 120.400 0.008 0.000 2.911 114 D HA -0.190 4.183 4.640 -0.445 0.000 0.227 114 D C 1.312 177.635 176.300 0.037 0.000 1.164 114 D CA 2.174 56.205 54.000 0.051 0.000 0.782 114 D CB -1.191 39.680 40.800 0.118 0.000 1.094 114 D HN 1.543 nan 8.370 nan 0.000 0.425 115 G N -0.640 108.168 108.800 0.013 0.000 2.175 115 G HA2 -0.353 3.340 3.960 -0.445 0.000 0.244 115 G HA3 -0.353 3.340 3.960 -0.445 0.000 0.244 115 G C 0.092 175.001 174.900 0.016 0.000 0.982 115 G CA 0.455 45.564 45.100 0.015 0.000 0.641 115 G HN 0.635 nan 8.290 nan 0.000 0.527 116 Q N 0.636 120.440 119.800 0.007 0.000 2.271 116 Q HA 0.474 4.547 4.340 -0.445 0.000 0.258 116 Q C -1.202 174.774 176.000 -0.041 0.000 0.936 116 Q CA -0.713 55.093 55.803 0.005 0.000 0.909 116 Q CB 0.993 29.750 28.738 0.032 0.000 1.253 116 Q HN 0.112 nan 8.270 nan 0.000 0.440 117 D N 3.865 124.249 120.400 -0.026 0.000 2.453 117 D HA 0.043 4.416 4.640 -0.445 0.000 0.223 117 D C 1.005 177.263 176.300 -0.070 0.000 1.183 117 D CA -0.260 53.714 54.000 -0.044 0.000 0.933 117 D CB 0.917 41.709 40.800 -0.013 0.000 1.038 117 D HN 0.454 nan 8.370 nan 0.000 0.513 118 V N 2.053 121.878 119.914 -0.149 0.000 2.548 118 V HA -0.145 3.709 4.120 -0.445 0.000 0.249 118 V C 1.942 177.951 176.094 -0.142 0.000 1.055 118 V CA 0.958 63.117 62.300 -0.235 0.000 1.065 118 V CB -0.692 30.849 31.823 -0.469 0.000 0.681 118 V HN 0.344 nan 8.190 nan 0.000 0.462 119 V N 1.113 120.988 119.914 -0.065 0.000 2.295 119 V HA -0.242 3.611 4.120 -0.445 0.000 0.246 119 V C 2.807 178.988 176.094 0.145 0.000 1.049 119 V CA 2.818 65.150 62.300 0.054 0.000 1.024 119 V CB -1.476 30.362 31.823 0.025 0.000 0.648 119 V HN 0.618 nan 8.190 nan 0.000 0.447 120 T N -0.492 114.107 114.554 0.074 0.000 2.746 120 T HA -0.190 3.893 4.350 -0.445 0.000 0.267 120 T C 1.729 176.520 174.700 0.151 0.000 1.039 120 T CA 1.693 63.854 62.100 0.102 0.000 1.142 120 T CB -0.394 68.511 68.868 0.060 0.000 0.866 120 T HN 0.454 nan 8.240 nan 0.000 0.444 121 D N 0.624 121.091 120.400 0.112 0.000 2.117 121 D HA -0.055 4.318 4.640 -0.445 0.000 0.197 121 D C 2.255 178.743 176.300 0.313 0.000 0.987 121 D CA 0.630 54.751 54.000 0.200 0.000 0.829 121 D CB -0.433 40.421 40.800 0.091 0.000 0.961 121 D HN 0.173 nan 8.370 nan 0.000 0.460 122 V N 0.512 120.508 119.914 0.136 0.000 2.261 122 V HA -0.253 3.600 4.120 -0.445 0.000 0.246 122 V C 2.016 178.236 176.094 0.211 0.000 1.047 122 V CA 1.813 64.249 62.300 0.227 0.000 1.015 122 V CB -0.534 31.324 31.823 0.059 0.000 0.642 122 V HN 0.244 nan 8.190 nan 0.000 0.446 123 H N -0.294 118.883 119.070 0.179 0.000 2.462 123 H HA 0.108 4.398 4.556 -0.443 0.000 0.292 123 H C 2.161 177.589 175.328 0.168 0.000 1.049 123 H CA 1.156 57.299 56.048 0.158 0.000 1.334 123 H CB -0.312 29.512 29.762 0.104 0.000 1.404 123 H HN 0.440 nan 8.280 nan 0.000 0.544 124 A N 0.314 123.303 122.820 0.282 0.000 1.883 124 A HA -0.169 3.884 4.320 -0.445 0.000 0.217 124 A C 2.501 180.223 177.584 0.231 0.000 1.186 124 A CA 1.883 54.058 52.037 0.230 0.000 0.624 124 A CB -0.897 18.232 19.000 0.217 0.000 0.822 124 A HN 0.246 nan 8.150 nan 0.000 0.444 125 V N 0.136 120.217 119.914 0.278 0.000 2.295 125 V HA -0.256 3.597 4.120 -0.445 0.000 0.246 125 V C 2.567 178.784 176.094 0.205 0.000 1.049 125 V CA 1.920 64.374 62.300 0.257 0.000 1.024 125 V CB -0.855 31.132 31.823 0.274 0.000 0.648 125 V HN 0.558 nan 8.190 nan 0.000 0.447 126 L N -0.111 121.214 121.223 0.171 0.000 2.042 126 L HA -0.200 3.873 4.340 -0.445 0.000 0.210 126 L C 2.428 179.366 176.870 0.113 0.000 1.076 126 L CA 1.598 56.501 54.840 0.105 0.000 0.749 126 L CB -0.789 41.318 42.059 0.080 0.000 0.893 126 L HN 0.362 nan 8.230 nan 0.000 0.432 127 D N 0.275 120.770 120.400 0.159 0.000 2.097 127 D HA -0.167 4.206 4.640 -0.445 0.000 0.195 127 D C 2.253 178.648 176.300 0.158 0.000 0.989 127 D CA 1.567 55.657 54.000 0.151 0.000 0.827 127 D CB -0.138 40.757 40.800 0.158 0.000 0.966 127 D HN 0.311 nan 8.370 nan 0.000 0.456 128 A N 0.746 123.687 122.820 0.201 0.000 1.908 128 A HA -0.194 3.859 4.320 -0.445 0.000 0.218 128 A C 2.287 180.086 177.584 0.358 0.000 1.181 128 A CA 1.636 53.845 52.037 0.287 0.000 0.627 128 A CB -0.606 18.578 19.000 0.307 0.000 0.818 128 A HN 0.170 nan 8.150 nan 0.000 0.445 129 M N -0.684 119.017 119.600 0.169 0.000 2.132 129 M HA -0.059 4.155 4.480 -0.445 0.000 0.263 129 M C 2.324 178.594 176.300 -0.050 0.000 1.065 129 M CA 1.390 56.602 55.300 -0.146 0.000 1.122 129 M CB -0.604 31.803 32.600 -0.322 0.000 1.365 129 M HN 0.478 nan 8.290 nan 0.000 0.411 130 G N 0.073 108.875 108.800 0.003 0.000 2.440 130 G HA2 -0.146 3.547 3.960 -0.445 0.000 0.218 130 G HA3 -0.146 3.547 3.960 -0.445 0.000 0.218 130 G C 1.639 176.562 174.900 0.038 0.000 1.154 130 G CA 1.055 46.160 45.100 0.009 0.000 0.767 130 G HN 0.534 nan 8.290 nan 0.000 0.552 131 A N 0.453 123.337 122.820 0.108 0.000 1.872 131 A HA 0.140 4.193 4.320 -0.445 0.000 0.214 131 A C 2.171 179.848 177.584 0.154 0.000 1.187 131 A CA 1.552 53.668 52.037 0.131 0.000 0.614 131 A CB -0.571 18.530 19.000 0.168 0.000 0.826 131 A HN 0.444 nan 8.150 nan 0.000 0.442 132 F N 0.827 120.827 119.950 0.083 0.000 2.134 132 F HA -0.129 4.150 4.527 -0.413 0.000 0.299 132 F C 2.455 178.205 175.800 -0.084 0.000 1.097 132 F CA 2.302 60.338 58.000 0.060 0.000 1.264 132 F CB -0.782 38.299 39.000 0.135 0.000 1.001 132 F HN 0.201 nan 8.300 nan 0.000 0.479 133 T N -0.339 114.020 114.554 -0.325 0.000 2.812 133 T HA -0.145 3.938 4.350 -0.445 0.000 0.264 133 T C 1.648 176.148 174.700 -0.333 0.000 1.042 133 T CA 1.691 63.504 62.100 -0.478 0.000 1.140 133 T CB -0.498 68.206 68.868 -0.272 0.000 0.870 133 T HN 0.266 nan 8.240 nan 0.000 0.445 134 D N 0.905 121.204 120.400 -0.168 0.000 2.133 134 D HA -0.093 4.280 4.640 -0.445 0.000 0.195 134 D C 2.411 178.651 176.300 -0.099 0.000 0.997 134 D CA 1.105 55.047 54.000 -0.096 0.000 0.840 134 D CB -0.230 40.554 40.800 -0.026 0.000 0.947 134 D HN 0.428 nan 8.370 nan 0.000 0.452 135 R N 0.028 120.467 120.500 -0.100 0.000 2.091 135 R HA -0.059 4.014 4.340 -0.445 0.000 0.238 135 R C 2.599 178.854 176.300 -0.076 0.000 1.136 135 R CA 0.634 56.720 56.100 -0.024 0.000 0.959 135 R CB -0.334 30.036 30.300 0.118 0.000 0.856 135 R HN 0.246 nan 8.270 nan 0.000 0.437 136 L N 0.533 121.566 121.223 -0.316 0.000 2.017 136 L HA -0.176 3.897 4.340 -0.445 0.000 0.208 136 L C 2.538 179.300 176.870 -0.181 0.000 1.073 136 L CA 1.440 56.080 54.840 -0.334 0.000 0.745 136 L CB -0.432 41.252 42.059 -0.626 0.000 0.894 136 L HN 0.214 nan 8.230 nan 0.000 0.432 137 R N -0.152 120.243 120.500 -0.176 0.000 2.148 137 R HA -0.094 3.979 4.340 -0.445 0.000 0.227 137 R C 2.324 178.589 176.300 -0.060 0.000 1.103 137 R CA 1.589 57.625 56.100 -0.106 0.000 0.983 137 R CB -0.524 29.720 30.300 -0.094 0.000 0.874 137 R HN 0.475 nan 8.270 nan 0.000 0.451 138 S N -0.739 114.933 115.700 -0.047 0.000 2.486 138 S HA 0.149 4.352 4.470 -0.445 0.000 0.220 138 S C 1.503 176.101 174.600 -0.003 0.000 1.011 138 S CA 0.468 58.657 58.200 -0.018 0.000 0.921 138 S CB 0.640 63.836 63.200 -0.007 0.000 0.785 138 S HN 0.496 nan 8.310 nan 0.000 0.517 139 G N 0.130 108.934 108.800 0.005 0.000 2.159 139 G HA2 -0.233 3.460 3.960 -0.445 0.000 0.227 139 G HA3 -0.233 3.460 3.960 -0.445 0.000 0.227 139 G C 0.722 175.651 174.900 0.049 0.000 0.986 139 G CA 0.999 46.116 45.100 0.028 0.000 0.651 139 G HN 0.903 nan 8.290 nan 0.000 0.523 140 E N -0.376 119.859 120.200 0.058 0.000 2.150 140 E HA 0.062 4.145 4.350 -0.445 0.000 0.193 140 E C 1.245 177.905 176.600 0.099 0.000 0.985 140 E CA 0.950 57.388 56.400 0.064 0.000 0.814 140 E CB -0.161 29.579 29.700 0.066 0.000 0.752 140 E HN 0.912 nan 8.360 nan 0.000 0.466 141 W N 2.434 123.701 121.300 -0.055 0.000 2.335 141 W HA 0.438 4.826 4.660 -0.454 0.000 0.306 141 W C -0.557 175.926 176.519 -0.059 0.000 1.216 141 W CA 0.607 57.923 57.345 -0.050 0.000 1.237 141 W CB 0.756 30.163 29.460 -0.088 0.000 1.243 141 W HN 0.179 nan 8.180 nan 0.000 0.493 142 T N 2.259 116.761 114.554 -0.086 0.000 2.930 142 T HA 0.665 4.748 4.350 -0.445 0.000 0.290 142 T C 0.462 175.116 174.700 -0.076 0.000 1.052 142 T CA -0.605 61.493 62.100 -0.002 0.000 1.017 142 T CB 1.709 70.563 68.868 -0.023 0.000 1.137 142 T HN 0.477 nan 8.240 nan 0.000 0.511 143 G N -0.317 108.489 108.800 0.009 0.000 2.631 143 G HA2 0.444 4.138 3.960 -0.445 0.000 0.271 143 G HA3 0.444 4.138 3.960 -0.445 0.000 0.271 143 G C 1.206 176.194 174.900 0.148 0.000 1.302 143 G CA -0.353 44.755 45.100 0.014 0.000 1.002 143 G HN 1.115 nan 8.290 nan 0.000 0.519 144 A N -1.068 122.025 122.820 0.455 0.000 1.969 144 A HA 0.165 4.219 4.320 -0.445 0.000 0.218 144 A C 1.876 179.525 177.584 0.107 0.000 1.169 144 A CA 2.007 54.180 52.037 0.227 0.000 0.635 144 A CB -0.983 18.149 19.000 0.220 0.000 0.810 144 A HN 1.053 nan 8.150 nan 0.000 0.445 145 T N -4.459 110.161 114.554 0.109 0.000 2.810 145 T HA 0.476 4.559 4.350 -0.445 0.000 0.277 145 T C 1.234 175.965 174.700 0.052 0.000 0.973 145 T CA 0.018 62.151 62.100 0.056 0.000 0.949 145 T CB 1.205 70.096 68.868 0.039 0.000 1.075 145 T HN 0.334 nan 8.240 nan 0.000 0.537 146 G N -0.031 108.786 108.800 0.029 0.000 2.776 146 G HA2 0.080 3.773 3.960 -0.445 0.000 0.209 146 G HA3 0.080 3.773 3.960 -0.445 0.000 0.209 146 G C 0.507 175.422 174.900 0.025 0.000 1.145 146 G CA -0.117 44.994 45.100 0.019 0.000 0.791 146 G HN 0.662 nan 8.290 nan 0.000 0.530 147 K N 0.097 120.523 120.400 0.044 0.000 2.098 147 K HA 0.604 4.657 4.320 -0.445 0.000 0.257 147 K C 0.529 177.161 176.600 0.053 0.000 0.999 147 K CA -0.637 55.676 56.287 0.045 0.000 0.924 147 K CB 0.492 33.021 32.500 0.049 0.000 1.028 147 K HN 0.163 nan 8.250 nan 0.000 0.466 148 R N 1.456 121.981 120.500 0.042 0.000 2.582 148 R HA 0.189 4.262 4.340 -0.445 0.000 0.271 148 R C 0.402 176.725 176.300 0.039 0.000 1.078 148 R CA -0.397 55.730 56.100 0.044 0.000 1.127 148 R CB -0.315 29.998 30.300 0.022 0.000 1.038 148 R HN 0.499 nan 8.270 nan 0.000 0.500 149 I N 2.353 122.940 120.570 0.027 0.000 2.396 149 I HA 0.095 3.998 4.170 -0.445 0.000 0.289 149 I C 1.245 177.335 176.117 -0.046 0.000 1.056 149 I CA 0.441 61.733 61.300 -0.015 0.000 1.365 149 I CB 0.954 38.912 38.000 -0.071 0.000 1.407 149 I HN 0.867 nan 8.210 nan 0.000 0.509 150 S N 3.011 118.688 115.700 -0.039 0.000 2.526 150 S HA 0.192 4.395 4.470 -0.445 0.000 0.220 150 S C 0.587 175.144 174.600 -0.073 0.000 1.017 150 S CA -0.147 58.026 58.200 -0.045 0.000 0.930 150 S CB 0.355 63.543 63.200 -0.020 0.000 0.856 150 S HN 0.613 nan 8.310 nan 0.000 0.497 151 T N 1.777 116.268 114.554 -0.106 0.000 2.928 151 T HA 0.582 4.665 4.350 -0.445 0.000 0.296 151 T C -1.208 173.340 174.700 -0.252 0.000 1.000 151 T CA -0.455 61.545 62.100 -0.167 0.000 0.989 151 T CB 2.014 70.786 68.868 -0.159 0.000 1.005 151 T HN 0.034 nan 8.240 nan 0.000 0.442 152 V N 3.601 123.333 119.914 -0.303 0.000 2.394 152 V HA 0.634 4.487 4.120 -0.445 0.000 0.282 152 V C -0.237 175.566 176.094 -0.485 0.000 1.031 152 V CA -0.597 61.483 62.300 -0.367 0.000 0.881 152 V CB 1.683 33.323 31.823 -0.305 0.000 0.982 152 V HN 0.719 nan 8.190 nan 0.000 0.451 153 V N 6.821 126.429 119.914 -0.510 0.000 2.407 153 V HA 0.534 4.387 4.120 -0.445 0.000 0.291 153 V C -0.178 175.743 176.094 -0.288 0.000 1.018 153 V CA -0.541 61.473 62.300 -0.477 0.000 0.842 153 V CB 1.546 33.118 31.823 -0.419 0.000 0.996 153 V HN 0.921 nan 8.190 nan 0.000 0.426 154 N N 6.091 124.568 118.700 -0.371 0.000 2.499 154 N HA 0.454 4.927 4.740 -0.445 0.000 0.281 154 N C -0.993 174.515 175.510 -0.003 0.000 1.098 154 N CA -0.338 52.625 53.050 -0.145 0.000 0.979 154 N CB 1.234 39.664 38.487 -0.096 0.000 1.121 154 N HN 0.779 nan 8.380 nan 0.000 0.466 155 I N 1.934 122.534 120.570 0.051 0.000 2.439 155 I HA 0.515 4.418 4.170 -0.445 0.000 0.285 155 I C 0.487 176.623 176.117 0.031 0.000 1.021 155 I CA -0.691 60.638 61.300 0.049 0.000 1.091 155 I CB 1.749 39.771 38.000 0.038 0.000 1.242 155 I HN 0.562 nan 8.210 nan 0.000 0.439 156 G N 6.693 115.516 108.800 0.037 0.000 2.451 156 G HA2 0.573 4.266 3.960 -0.445 0.000 0.292 156 G HA3 0.573 4.266 3.960 -0.445 0.000 0.292 156 G C -1.706 173.207 174.900 0.022 0.000 1.427 156 G CA -0.520 44.594 45.100 0.022 0.000 0.792 156 G HN 0.514 nan 8.290 nan 0.000 0.498 157 I N -1.407 119.168 120.570 0.009 0.000 3.042 157 I HA 0.879 4.782 4.170 -0.445 0.000 0.310 157 I C 0.987 177.102 176.117 -0.004 0.000 1.117 157 I CA 0.123 61.424 61.300 0.002 0.000 1.003 157 I CB 1.125 39.119 38.000 -0.010 0.000 1.228 157 I HN 2.211 nan 8.210 nan 0.000 0.443 158 G N 3.286 112.076 108.800 -0.017 0.000 2.622 158 G HA2 -0.336 3.357 3.960 -0.445 0.000 0.307 158 G HA3 -0.336 3.357 3.960 -0.445 0.000 0.307 158 G C 0.882 175.759 174.900 -0.038 0.000 1.226 158 G CA 1.151 46.229 45.100 -0.037 0.000 0.997 158 G HN 1.695 nan 8.290 nan 0.000 0.551 159 G N -0.652 108.122 108.800 -0.043 0.000 2.462 159 G HA2 0.069 3.762 3.960 -0.445 0.000 0.220 159 G HA3 0.069 3.762 3.960 -0.445 0.000 0.220 159 G C 1.858 176.755 174.900 -0.006 0.000 1.121 159 G CA 1.992 47.069 45.100 -0.039 0.000 0.758 159 G HN 1.220 nan 8.290 nan 0.000 0.559 160 S N -0.622 115.081 115.700 0.005 0.000 2.593 160 S HA 0.125 4.328 4.470 -0.445 0.000 0.217 160 S C 1.303 175.932 174.600 0.047 0.000 0.966 160 S CA 0.893 59.103 58.200 0.017 0.000 0.914 160 S CB 0.220 63.438 63.200 0.030 0.000 0.776 160 S HN 0.645 nan 8.310 nan 0.000 0.523 161 D N 0.417 120.840 120.400 0.038 0.000 2.871 161 D HA 0.198 4.571 4.640 -0.445 0.000 0.291 161 D C 1.630 177.927 176.300 -0.005 0.000 1.150 161 D CA -0.080 53.947 54.000 0.044 0.000 0.999 161 D CB -0.239 40.584 40.800 0.039 0.000 1.452 161 D HN 0.114 nan 8.370 nan 0.000 0.465 162 L N 0.664 121.892 121.223 0.008 0.000 2.042 162 L HA 0.032 4.106 4.340 -0.445 0.000 0.210 162 L C 2.464 179.419 176.870 0.142 0.000 1.076 162 L CA 1.630 56.492 54.840 0.037 0.000 0.749 162 L CB -0.781 41.282 42.059 0.007 0.000 0.893 162 L HN 0.246 nan 8.230 nan 0.000 0.432 163 G N 0.481 109.418 108.800 0.229 0.000 2.524 163 G HA2 -0.195 3.499 3.960 -0.445 0.000 0.215 163 G HA3 -0.195 3.499 3.960 -0.445 0.000 0.215 163 G C -0.693 174.222 174.900 0.025 0.000 1.239 163 G CA 0.724 45.962 45.100 0.230 0.000 0.798 163 G HN 0.284 nan 8.290 nan 0.000 0.557 164 P HA -0.137 nan 4.420 nan 0.000 0.217 164 P C 2.145 179.206 177.300 -0.399 0.000 1.151 164 P CA 1.332 64.437 63.100 0.008 0.000 0.849 164 P CB -0.167 31.657 31.700 0.206 0.000 0.787 165 V N -1.069 118.420 119.914 -0.708 0.000 2.283 165 V HA -0.191 3.662 4.120 -0.445 0.000 0.243 165 V C 2.106 177.990 176.094 -0.349 0.000 1.039 165 V CA 1.793 63.496 62.300 -0.995 0.000 1.016 165 V CB -0.976 30.407 31.823 -0.733 0.000 0.650 165 V HN 0.027 nan 8.190 nan 0.000 0.449 166 M N -0.254 119.240 119.600 -0.177 0.000 2.080 166 M HA -0.136 4.077 4.480 -0.445 0.000 0.260 166 M C 2.193 178.452 176.300 -0.069 0.000 1.068 166 M CA 2.421 57.679 55.300 -0.071 0.000 1.109 166 M CB -0.768 31.806 32.600 -0.044 0.000 1.342 166 M HN 0.304 nan 8.290 nan 0.000 0.405 167 V N 0.112 119.968 119.914 -0.098 0.000 2.427 167 V HA -0.275 3.578 4.120 -0.445 0.000 0.248 167 V C 2.289 178.352 176.094 -0.052 0.000 1.051 167 V CA 1.852 64.082 62.300 -0.117 0.000 1.048 167 V CB -0.984 30.750 31.823 -0.148 0.000 0.666 167 V HN 0.603 nan 8.190 nan 0.000 0.456 168 Y N 0.845 121.088 120.300 -0.095 0.000 2.181 168 Y HA -0.251 4.033 4.550 -0.442 0.000 0.288 168 Y C 2.545 178.444 175.900 -0.001 0.000 1.146 168 Y CA 2.004 60.109 58.100 0.009 0.000 1.164 168 Y CB -0.205 38.361 38.460 0.178 0.000 0.982 168 Y HN 0.306 nan 8.280 nan 0.000 0.515 169 Q N -0.324 119.433 119.800 -0.072 0.000 2.079 169 Q HA -0.117 3.957 4.340 -0.445 0.000 0.200 169 Q C 2.516 178.433 176.000 -0.138 0.000 0.974 169 Q CA 1.185 56.901 55.803 -0.145 0.000 0.840 169 Q CB -0.318 28.404 28.738 -0.026 0.000 0.898 169 Q HN 0.606 nan 8.270 nan 0.000 0.430 170 A N 0.770 123.532 122.820 -0.096 0.000 1.933 170 A HA -0.108 3.945 4.320 -0.445 0.000 0.218 170 A C 1.636 179.164 177.584 -0.093 0.000 1.175 170 A CA 1.072 53.052 52.037 -0.095 0.000 0.628 170 A CB -0.255 18.695 19.000 -0.084 0.000 0.814 170 A HN 0.299 nan 8.150 nan 0.000 0.444 171 L N -0.525 120.645 121.223 -0.088 0.000 2.928 171 L HA 0.179 4.252 4.340 -0.445 0.000 0.246 171 L C 1.998 178.886 176.870 0.030 0.000 1.239 171 L CA -0.167 54.699 54.840 0.044 0.000 1.035 171 L CB -0.146 41.887 42.059 -0.043 0.000 1.360 171 L HN 0.482 nan 8.230 nan 0.000 0.529 172 R N 0.505 120.926 120.500 -0.133 0.000 2.103 172 R HA -0.288 3.785 4.340 -0.445 0.000 0.242 172 R C 1.982 178.199 176.300 -0.139 0.000 1.142 172 R CA 2.294 58.252 56.100 -0.238 0.000 0.960 172 R CB -0.376 29.768 30.300 -0.259 0.000 0.858 172 R HN 0.425 nan 8.270 nan 0.000 0.439 173 H N -0.536 118.401 119.070 -0.223 0.000 2.457 173 H HA -0.162 4.127 4.556 -0.445 0.000 0.297 173 H C 0.824 175.879 175.328 -0.455 0.000 1.092 173 H CA 2.163 57.990 56.048 -0.368 0.000 1.309 173 H CB -0.136 29.312 29.762 -0.525 0.000 1.382 173 H HN 0.385 nan 8.280 nan 0.000 0.535 174 Y N -0.494 119.754 120.300 -0.086 0.000 2.466 174 Y HA 0.361 4.644 4.550 -0.445 0.000 0.272 174 Y C 1.232 177.072 175.900 -0.099 0.000 1.169 174 Y CA 0.116 58.159 58.100 -0.096 0.000 1.285 174 Y CB -0.050 38.387 38.460 -0.037 0.000 1.078 174 Y HN 0.223 nan 8.280 nan 0.000 0.523 175 A N 1.603 124.410 122.820 -0.021 0.000 2.476 175 A HA 0.120 4.173 4.320 -0.445 0.000 0.275 175 A C 0.486 178.038 177.584 -0.053 0.000 1.133 175 A CA 0.370 52.397 52.037 -0.016 0.000 0.797 175 A CB -0.347 18.637 19.000 -0.026 0.000 1.081 175 A HN 0.484 nan 8.150 nan 0.000 0.510 176 D N 1.405 121.790 120.400 -0.025 0.000 2.527 176 D HA 0.261 4.634 4.640 -0.445 0.000 0.224 176 D C 0.548 176.830 176.300 -0.031 0.000 1.217 176 D CA 0.643 54.618 54.000 -0.042 0.000 0.819 176 D CB 0.063 40.846 40.800 -0.028 0.000 1.061 176 D HN 0.402 nan 8.370 nan 0.000 0.515 177 A N 0.249 123.054 122.820 -0.025 0.000 2.538 177 A HA 0.636 4.689 4.320 -0.445 0.000 0.269 177 A C 1.728 179.294 177.584 -0.030 0.000 1.231 177 A CA 0.202 52.221 52.037 -0.029 0.000 0.948 177 A CB -0.248 18.730 19.000 -0.037 0.000 1.110 177 A HN 0.486 nan 8.150 nan 0.000 0.529 178 G N 0.160 108.944 108.800 -0.026 0.000 2.166 178 G HA2 -0.278 3.415 3.960 -0.445 0.000 0.260 178 G HA3 -0.278 3.415 3.960 -0.445 0.000 0.260 178 G C 0.283 175.170 174.900 -0.020 0.000 0.986 178 G CA 0.788 45.875 45.100 -0.022 0.000 0.683 178 G HN 1.520 nan 8.290 nan 0.000 0.527 179 I N 0.395 120.951 120.570 -0.023 0.000 2.377 179 I HA 0.791 4.694 4.170 -0.445 0.000 0.293 179 I C 0.350 176.469 176.117 0.004 0.000 0.987 179 I CA -0.134 61.146 61.300 -0.034 0.000 1.185 179 I CB 1.829 39.784 38.000 -0.076 0.000 1.341 179 I HN 0.301 nan 8.210 nan 0.000 0.455 180 S N 5.577 121.272 115.700 -0.008 0.000 2.758 180 S HA 0.959 5.162 4.470 -0.445 0.000 0.292 180 S C -0.235 174.274 174.600 -0.151 0.000 1.131 180 S CA -0.417 57.813 58.200 0.050 0.000 0.997 180 S CB 1.631 64.871 63.200 0.067 0.000 1.111 180 S HN 1.147 nan 8.310 nan 0.000 0.552 181 A N 0.349 122.937 122.820 -0.386 0.000 2.498 181 A HA 0.868 4.921 4.320 -0.445 0.000 0.298 181 A C -0.543 176.550 177.584 -0.818 0.000 1.075 181 A CA -1.080 50.474 52.037 -0.805 0.000 0.714 181 A CB 1.356 19.669 19.000 -1.145 0.000 1.299 181 A HN 0.851 nan 8.150 nan 0.000 0.407 182 R N -0.490 119.471 120.500 -0.898 0.000 2.836 182 R HA 0.755 4.828 4.340 -0.445 0.000 0.269 182 R C -1.946 173.772 176.300 -0.970 0.000 1.010 182 R CA -0.546 55.177 56.100 -0.628 0.000 0.930 182 R CB 1.810 31.933 30.300 -0.296 0.000 1.218 182 R HN 0.560 nan 8.270 nan 0.000 0.473 183 F N 0.037 119.921 119.950 -0.109 0.000 2.585 183 F HA 0.377 4.636 4.527 -0.447 0.000 0.319 183 F C -0.630 175.149 175.800 -0.036 0.000 1.165 183 F CA -0.889 57.070 58.000 -0.068 0.000 0.949 183 F CB 2.130 41.096 39.000 -0.057 0.000 1.218 183 F HN 0.001 nan 8.300 nan 0.000 0.453 184 V N 2.666 122.643 119.914 0.105 0.000 2.349 184 V HA 0.304 4.158 4.120 -0.445 0.000 0.284 184 V C 0.119 176.246 176.094 0.055 0.000 1.014 184 V CA -0.200 62.136 62.300 0.060 0.000 0.826 184 V CB 1.163 33.002 31.823 0.026 0.000 1.009 184 V HN 0.946 nan 8.190 nan 0.000 0.431 185 S N 2.606 118.336 115.700 0.049 0.000 2.665 185 S HA 0.168 4.371 4.470 -0.445 0.000 0.240 185 S C 0.799 175.406 174.600 0.012 0.000 1.081 185 S CA -0.174 58.045 58.200 0.032 0.000 0.887 185 S CB 0.053 63.275 63.200 0.036 0.000 0.805 185 S HN 0.549 nan 8.310 nan 0.000 0.486 186 N N 1.652 120.360 118.700 0.012 0.000 2.508 186 N HA 0.170 4.644 4.740 -0.445 0.000 0.264 186 N C 0.691 176.200 175.510 -0.002 0.000 1.216 186 N CA 0.114 53.166 53.050 0.004 0.000 0.943 186 N CB 1.587 40.078 38.487 0.007 0.000 1.113 186 N HN 0.088 nan 8.380 nan 0.000 0.447 187 V N 1.686 121.596 119.914 -0.005 0.000 3.306 187 V HA -0.071 3.782 4.120 -0.445 0.000 0.264 187 V C 0.265 176.359 176.094 -0.001 0.000 1.149 187 V CA 0.460 62.756 62.300 -0.007 0.000 1.143 187 V CB -0.653 31.164 31.823 -0.010 0.000 0.767 187 V HN 0.675 nan 8.190 nan 0.000 0.476 188 D N 1.510 121.912 120.400 0.003 0.000 2.502 188 D HA 0.000 4.373 4.640 -0.445 0.000 0.249 188 D C -1.134 175.169 176.300 0.005 0.000 1.188 188 D CA -1.603 52.402 54.000 0.008 0.000 0.890 188 D CB 1.363 42.169 40.800 0.010 0.000 1.140 188 D HN 0.260 nan 8.370 nan 0.000 0.505 189 P HA -0.137 nan 4.420 nan 0.000 0.225 189 P C 0.935 178.233 177.300 -0.002 0.000 1.148 189 P CA 0.708 63.809 63.100 0.002 0.000 0.779 189 P CB 0.108 31.813 31.700 0.008 0.000 0.780 190 A N 0.367 123.189 122.820 0.004 0.000 2.019 190 A HA -0.205 3.848 4.320 -0.445 0.000 0.219 190 A C 2.217 179.799 177.584 -0.003 0.000 1.164 190 A CA 1.859 53.898 52.037 0.003 0.000 0.644 190 A CB -1.233 17.773 19.000 0.009 0.000 0.805 190 A HN 0.127 nan 8.150 nan 0.000 0.449 191 D N -0.014 120.384 120.400 -0.003 0.000 2.077 191 D HA -0.128 4.245 4.640 -0.445 0.000 0.196 191 D C 1.895 178.183 176.300 -0.020 0.000 0.986 191 D CA 1.215 55.214 54.000 -0.002 0.000 0.829 191 D CB -0.395 40.409 40.800 0.006 0.000 0.983 191 D HN 0.353 nan 8.370 nan 0.000 0.453 192 L N 0.330 121.535 121.223 -0.031 0.000 2.042 192 L HA -0.150 3.923 4.340 -0.445 0.000 0.210 192 L C 2.602 179.414 176.870 -0.097 0.000 1.076 192 L CA 0.961 55.762 54.840 -0.065 0.000 0.749 192 L CB -0.214 41.806 42.059 -0.064 0.000 0.893 192 L HN 0.119 nan 8.230 nan 0.000 0.432 193 I N -0.478 120.053 120.570 -0.064 0.000 2.315 193 I HA -0.257 3.646 4.170 -0.445 0.000 0.248 193 I C 2.655 178.740 176.117 -0.052 0.000 1.117 193 I CA 1.089 62.354 61.300 -0.059 0.000 1.404 193 I CB -0.397 37.591 38.000 -0.020 0.000 1.071 193 I HN 0.271 nan 8.210 nan 0.000 0.419 194 A N 0.607 123.406 122.820 -0.035 0.000 1.968 194 A HA -0.164 3.890 4.320 -0.445 0.000 0.217 194 A C 2.391 179.953 177.584 -0.038 0.000 1.169 194 A CA 1.974 53.998 52.037 -0.022 0.000 0.638 194 A CB -0.924 18.073 19.000 -0.006 0.000 0.812 194 A HN 0.506 nan 8.150 nan 0.000 0.446 195 T N -3.287 111.231 114.554 -0.060 0.000 3.014 195 T HA 0.082 4.165 4.350 -0.445 0.000 0.263 195 T C 1.279 175.900 174.700 -0.132 0.000 1.078 195 T CA 1.020 63.075 62.100 -0.075 0.000 1.135 195 T CB -0.139 68.691 68.868 -0.064 0.000 0.895 195 T HN 0.071 nan 8.240 nan 0.000 0.480 196 L N 0.768 121.871 121.223 -0.200 0.000 2.585 196 L HA 0.582 4.655 4.340 -0.445 0.000 0.226 196 L C 2.620 179.409 176.870 -0.136 0.000 1.113 196 L CA 0.239 54.872 54.840 -0.345 0.000 0.876 196 L CB -0.781 40.807 42.059 -0.785 0.000 1.072 196 L HN 0.350 nan 8.230 nan 0.000 0.468 197 A N 0.479 123.268 122.820 -0.052 0.000 1.892 197 A HA -0.213 3.840 4.320 -0.445 0.000 0.218 197 A C 1.604 179.239 177.584 0.085 0.000 1.188 197 A CA 2.153 54.209 52.037 0.032 0.000 0.631 197 A CB -0.483 18.529 19.000 0.020 0.000 0.822 197 A HN 0.546 nan 8.150 nan 0.000 0.447 198 D N -1.220 119.217 120.400 0.062 0.000 2.463 198 D HA 0.261 4.634 4.640 -0.445 0.000 0.224 198 D C -0.048 176.310 176.300 0.097 0.000 1.174 198 D CA -0.179 53.866 54.000 0.075 0.000 0.829 198 D CB -0.427 40.400 40.800 0.045 0.000 0.993 198 D HN 0.373 nan 8.370 nan 0.000 0.497 199 L N 0.604 121.919 121.223 0.153 0.000 2.309 199 L HA 0.295 4.368 4.340 -0.445 0.000 0.282 199 L C 0.067 177.128 176.870 0.319 0.000 1.036 199 L CA -0.913 54.044 54.840 0.194 0.000 0.806 199 L CB 1.653 43.797 42.059 0.142 0.000 1.220 199 L HN -0.146 nan 8.230 nan 0.000 0.429 200 D N 4.408 124.927 120.400 0.198 0.000 2.316 200 D HA 0.176 4.549 4.640 -0.445 0.000 0.245 200 D C -1.765 174.621 176.300 0.144 0.000 1.171 200 D CA -2.030 52.050 54.000 0.133 0.000 0.856 200 D CB 1.800 42.642 40.800 0.070 0.000 1.090 200 D HN 0.159 nan 8.370 nan 0.000 0.476 201 P HA -0.101 nan 4.420 nan 0.000 0.219 201 P C 0.853 178.131 177.300 -0.037 0.000 1.146 201 P CA 1.111 64.097 63.100 -0.189 0.000 0.808 201 P CB 0.198 31.448 31.700 -0.750 0.000 0.779 202 A N -0.632 122.187 122.820 -0.001 0.000 2.067 202 A HA -0.092 3.961 4.320 -0.445 0.000 0.219 202 A C 1.870 179.604 177.584 0.249 0.000 1.158 202 A CA 2.010 54.121 52.037 0.124 0.000 0.661 202 A CB -1.448 17.588 19.000 0.059 0.000 0.801 202 A HN 0.347 nan 8.150 nan 0.000 0.452 203 T N -4.200 110.451 114.554 0.162 0.000 3.129 203 T HA 0.282 4.365 4.350 -0.445 0.000 0.267 203 T C 0.219 174.966 174.700 0.078 0.000 1.018 203 T CA 0.191 62.358 62.100 0.112 0.000 0.903 203 T CB 0.020 68.923 68.868 0.060 0.000 1.067 203 T HN 0.074 nan 8.240 nan 0.000 0.549 204 T N 2.489 117.123 114.554 0.134 0.000 2.823 204 T HA 0.701 4.784 4.350 -0.445 0.000 0.279 204 T C -1.052 173.629 174.700 -0.031 0.000 0.998 204 T CA -0.645 61.444 62.100 -0.018 0.000 0.994 204 T CB 1.911 70.786 68.868 0.011 0.000 0.960 204 T HN 0.376 nan 8.240 nan 0.000 0.448 205 L N 3.006 124.061 121.223 -0.280 0.000 2.408 205 L HA 0.737 4.810 4.340 -0.445 0.000 0.268 205 L C -1.685 174.881 176.870 -0.507 0.000 0.986 205 L CA -0.900 53.786 54.840 -0.257 0.000 0.820 205 L CB 1.310 43.279 42.059 -0.149 0.000 1.303 205 L HN 0.551 nan 8.230 nan 0.000 0.411 206 F N 4.864 124.622 119.950 -0.319 0.000 2.421 206 F HA 0.512 4.769 4.527 -0.450 0.000 0.337 206 F C 0.058 175.749 175.800 -0.182 0.000 1.105 206 F CA -0.397 57.382 58.000 -0.369 0.000 1.049 206 F CB 1.589 40.130 39.000 -0.766 0.000 1.139 206 F HN 0.204 nan 8.300 nan 0.000 0.479 207 I N 4.353 124.953 120.570 0.051 0.000 2.359 207 I HA 0.235 4.138 4.170 -0.445 0.000 0.284 207 I C -0.748 175.433 176.117 0.106 0.000 1.018 207 I CA -0.792 60.545 61.300 0.061 0.000 1.173 207 I CB 1.477 39.467 38.000 -0.017 0.000 1.326 207 I HN 0.294 nan 8.210 nan 0.000 0.462 208 V N 7.178 127.189 119.914 0.162 0.000 2.348 208 V HA 0.678 4.531 4.120 -0.445 0.000 0.270 208 V C 0.295 176.474 176.094 0.141 0.000 1.037 208 V CA -0.161 62.201 62.300 0.104 0.000 0.872 208 V CB 1.057 32.876 31.823 -0.007 0.000 1.002 208 V HN 0.748 nan 8.190 nan 0.000 0.464 209 A N 5.822 128.690 122.820 0.080 0.000 2.280 209 A HA 0.824 4.877 4.320 -0.445 0.000 0.320 209 A C 0.108 177.753 177.584 0.102 0.000 1.366 209 A CA 0.227 52.332 52.037 0.114 0.000 0.938 209 A CB 0.506 19.548 19.000 0.071 0.000 1.157 209 A HN 1.780 nan 8.150 nan 0.000 0.536 210 S N 1.843 117.658 115.700 0.191 0.000 2.570 210 S HA 0.365 4.568 4.470 -0.445 0.000 0.286 210 S C 0.162 174.889 174.600 0.212 0.000 1.143 210 S CA -0.573 57.723 58.200 0.161 0.000 0.921 210 S CB 1.431 64.631 63.200 0.000 0.000 1.108 210 S HN 0.533 nan 8.310 nan 0.000 0.456 211 K N 2.312 122.802 120.400 0.149 0.000 2.097 211 K HA -0.064 3.989 4.320 -0.445 0.000 0.206 211 K C 1.897 178.450 176.600 -0.079 0.000 1.049 211 K CA 2.758 58.984 56.287 -0.101 0.000 0.933 211 K CB -0.733 31.629 32.500 -0.231 0.000 0.717 211 K HN 0.862 nan 8.250 nan 0.000 0.442 212 T N -3.732 110.825 114.554 0.005 0.000 3.044 212 T HA 0.044 4.127 4.350 -0.445 0.000 0.255 212 T C 0.734 175.520 174.700 0.142 0.000 1.073 212 T CA 0.315 62.428 62.100 0.021 0.000 1.125 212 T CB -0.331 68.540 68.868 0.004 0.000 0.908 212 T HN 0.194 nan 8.240 nan 0.000 0.480 213 F N 1.247 121.159 119.950 -0.064 0.000 3.043 213 F HA -0.240 4.229 4.527 -0.098 0.000 0.290 213 F C 0.773 176.544 175.800 -0.049 0.000 0.844 213 F CA 0.511 58.470 58.000 -0.068 0.000 1.184 213 F CB -1.654 37.298 39.000 -0.081 0.000 1.246 213 F HN 0.270 nan 8.300 nan 0.000 0.536 214 S N -1.504 114.185 115.700 -0.019 0.000 2.787 214 S HA 0.127 4.330 4.470 -0.445 0.000 0.255 214 S C 0.460 175.024 174.600 -0.060 0.000 1.051 214 S CA 0.351 58.532 58.200 -0.031 0.000 1.124 214 S CB 0.630 63.837 63.200 0.012 0.000 1.104 214 S HN 0.326 nan 8.310 nan 0.000 0.623 215 T N 3.165 117.670 114.554 -0.082 0.000 2.866 215 T HA 0.061 4.144 4.350 -0.445 0.000 0.293 215 T C 1.370 176.023 174.700 -0.079 0.000 1.005 215 T CA 0.193 62.251 62.100 -0.071 0.000 1.162 215 T CB 0.456 69.282 68.868 -0.071 0.000 0.968 215 T HN 0.171 nan 8.240 nan 0.000 0.530 216 L N 2.387 123.580 121.223 -0.051 0.000 1.994 216 L HA -0.156 3.917 4.340 -0.445 0.000 0.208 216 L C 2.436 179.277 176.870 -0.048 0.000 1.071 216 L CA 1.843 56.658 54.840 -0.043 0.000 0.745 216 L CB -0.222 41.821 42.059 -0.027 0.000 0.892 216 L HN 0.693 nan 8.230 nan 0.000 0.431 217 E N -0.765 119.408 120.200 -0.044 0.000 2.047 217 E HA -0.170 3.913 4.350 -0.445 0.000 0.191 217 E C 1.963 178.529 176.600 -0.057 0.000 0.987 217 E CA 1.913 58.289 56.400 -0.040 0.000 0.799 217 E CB -0.304 29.379 29.700 -0.029 0.000 0.752 217 E HN 0.428 nan 8.360 nan 0.000 0.449 218 T N 0.926 115.432 114.554 -0.081 0.000 2.674 218 T HA -0.081 4.003 4.350 -0.445 0.000 0.265 218 T C 1.853 176.449 174.700 -0.173 0.000 1.039 218 T CA 0.801 62.831 62.100 -0.117 0.000 1.150 218 T CB -0.249 68.536 68.868 -0.139 0.000 0.864 218 T HN 0.058 nan 8.240 nan 0.000 0.427 219 L N 0.689 121.788 121.223 -0.207 0.000 2.201 219 L HA -0.089 3.984 4.340 -0.445 0.000 0.212 219 L C 2.790 179.612 176.870 -0.079 0.000 1.105 219 L CA 1.081 55.788 54.840 -0.222 0.000 0.775 219 L CB -0.747 41.184 42.059 -0.213 0.000 0.913 219 L HN 0.351 nan 8.230 nan 0.000 0.440 220 T N -0.786 113.734 114.554 -0.058 0.000 2.737 220 T HA -0.122 3.961 4.350 -0.445 0.000 0.265 220 T C 1.718 176.409 174.700 -0.016 0.000 1.038 220 T CA 1.072 63.159 62.100 -0.022 0.000 1.144 220 T CB -0.166 68.690 68.868 -0.021 0.000 0.866 220 T HN 0.281 nan 8.240 nan 0.000 0.434 221 N N 1.449 120.130 118.700 -0.032 0.000 2.069 221 N HA -0.066 4.407 4.740 -0.445 0.000 0.191 221 N C 2.126 177.620 175.510 -0.025 0.000 1.031 221 N CA 1.486 54.518 53.050 -0.030 0.000 0.852 221 N CB -0.494 37.973 38.487 -0.032 0.000 1.018 221 N HN 0.416 nan 8.380 nan 0.000 0.423 222 A N -0.059 122.744 122.820 -0.029 0.000 1.898 222 A HA -0.138 3.916 4.320 -0.445 0.000 0.216 222 A C 2.402 180.099 177.584 0.188 0.000 1.181 222 A CA 2.194 54.251 52.037 0.033 0.000 0.620 222 A CB -1.122 17.786 19.000 -0.152 0.000 0.819 222 A HN 0.400 nan 8.150 nan 0.000 0.442 223 T N -0.681 113.975 114.554 0.170 0.000 2.777 223 T HA 0.003 4.087 4.350 -0.445 0.000 0.266 223 T C 1.980 176.701 174.700 0.036 0.000 1.040 223 T CA 1.980 64.154 62.100 0.123 0.000 1.141 223 T CB -0.473 68.442 68.868 0.079 0.000 0.868 223 T HN 0.535 nan 8.240 nan 0.000 0.444 224 A N 1.083 123.922 122.820 0.031 0.000 1.902 224 A HA 0.227 4.280 4.320 -0.445 0.000 0.217 224 A C 2.746 180.365 177.584 0.058 0.000 1.181 224 A CA 2.044 54.100 52.037 0.032 0.000 0.623 224 A CB -1.325 17.682 19.000 0.013 0.000 0.818 224 A HN 0.709 nan 8.150 nan 0.000 0.443 225 A N -0.546 122.276 122.820 0.003 0.000 1.933 225 A HA -0.156 3.897 4.320 -0.445 0.000 0.218 225 A C 2.267 179.969 177.584 0.197 0.000 1.175 225 A CA 1.578 53.579 52.037 -0.059 0.000 0.628 225 A CB -0.495 18.170 19.000 -0.558 0.000 0.814 225 A HN 0.512 nan 8.150 nan 0.000 0.444 226 R N -0.485 120.105 120.500 0.150 0.000 2.092 226 R HA -0.098 3.975 4.340 -0.445 0.000 0.231 226 R C 2.332 178.668 176.300 0.060 0.000 1.119 226 R CA 1.589 57.702 56.100 0.021 0.000 0.970 226 R CB -0.271 29.791 30.300 -0.396 0.000 0.864 226 R HN 0.512 nan 8.270 nan 0.000 0.440 227 R N -0.600 119.937 120.500 0.061 0.000 2.075 227 R HA -0.181 3.893 4.340 -0.445 0.000 0.232 227 R C 1.985 178.372 176.300 0.144 0.000 1.126 227 R CA 1.999 58.136 56.100 0.062 0.000 0.963 227 R CB -0.509 29.820 30.300 0.049 0.000 0.858 227 R HN 0.350 nan 8.270 nan 0.000 0.435 228 W N 0.475 121.790 121.300 0.024 0.000 2.335 228 W HA -0.224 4.166 4.660 -0.449 0.000 0.311 228 W C 1.645 178.210 176.519 0.077 0.000 1.213 228 W CA 1.151 58.529 57.345 0.054 0.000 1.274 228 W CB -0.288 29.219 29.460 0.079 0.000 1.148 228 W HN 0.096 nan 8.180 nan 0.000 0.498 229 L N 0.377 121.757 121.223 0.261 0.000 2.027 229 L HA -0.139 3.934 4.340 -0.445 0.000 0.206 229 L C 2.011 178.835 176.870 -0.077 0.000 1.074 229 L CA 2.569 57.438 54.840 0.049 0.000 0.745 229 L CB -1.468 40.864 42.059 0.456 0.000 0.898 229 L HN -0.009 nan 8.230 nan 0.000 0.433 230 T N -0.025 114.528 114.554 -0.003 0.000 2.777 230 T HA -0.141 3.942 4.350 -0.445 0.000 0.266 230 T C 1.420 176.074 174.700 -0.076 0.000 1.040 230 T CA 1.359 63.433 62.100 -0.043 0.000 1.141 230 T CB -0.166 68.676 68.868 -0.043 0.000 0.868 230 T HN 0.314 nan 8.240 nan 0.000 0.444 231 D N 1.268 121.622 120.400 -0.077 0.000 2.190 231 D HA -0.054 4.319 4.640 -0.445 0.000 0.200 231 D C 2.096 178.319 176.300 -0.129 0.000 0.992 231 D CA 1.210 55.159 54.000 -0.085 0.000 0.854 231 D CB -0.219 40.543 40.800 -0.064 0.000 0.936 231 D HN 0.458 nan 8.370 nan 0.000 0.462 232 A N -0.748 121.947 122.820 -0.207 0.000 1.956 232 A HA 0.082 4.135 4.320 -0.445 0.000 0.212 232 A C 1.725 179.206 177.584 -0.171 0.000 1.188 232 A CA 0.526 52.423 52.037 -0.233 0.000 0.675 232 A CB 0.176 18.936 19.000 -0.400 0.000 0.845 232 A HN 0.152 nan 8.150 nan 0.000 0.455 233 L N -1.908 119.218 121.223 -0.161 0.000 2.920 233 L HA 0.431 4.504 4.340 -0.445 0.000 0.257 233 L C 0.941 177.770 176.870 -0.067 0.000 1.150 233 L CA 0.984 55.752 54.840 -0.120 0.000 0.959 233 L CB 0.024 41.977 42.059 -0.177 0.000 1.321 233 L HN 0.653 nan 8.230 nan 0.000 0.555 234 G N -0.549 108.213 108.800 -0.063 0.000 2.663 234 G HA2 -0.211 3.482 3.960 -0.445 0.000 0.686 234 G HA3 -0.211 3.482 3.960 -0.445 0.000 0.686 234 G C 0.226 175.109 174.900 -0.028 0.000 1.288 234 G CA -0.111 44.965 45.100 -0.040 0.000 0.836 234 G HN 0.011 nan 8.290 nan 0.000 0.584 235 D N 0.009 120.392 120.400 -0.028 0.000 2.144 235 D HA -0.002 4.371 4.640 -0.445 0.000 0.200 235 D C 2.617 178.908 176.300 -0.015 0.000 0.978 235 D CA 1.636 55.616 54.000 -0.033 0.000 0.833 235 D CB -0.062 40.714 40.800 -0.041 0.000 0.961 235 D HN 0.789 nan 8.370 nan 0.000 0.470 236 A N 0.423 123.244 122.820 0.001 0.000 2.206 236 A HA 0.201 4.254 4.320 -0.445 0.000 0.211 236 A C 2.072 179.694 177.584 0.063 0.000 1.158 236 A CA 1.006 53.055 52.037 0.020 0.000 0.761 236 A CB -0.105 18.901 19.000 0.011 0.000 0.801 236 A HN 0.210 nan 8.150 nan 0.000 0.473 237 A N -0.400 122.468 122.820 0.080 0.000 2.119 237 A HA 0.126 4.179 4.320 -0.445 0.000 0.217 237 A C 1.982 179.746 177.584 0.299 0.000 1.153 237 A CA 1.225 53.362 52.037 0.166 0.000 0.692 237 A CB -0.604 18.449 19.000 0.088 0.000 0.799 237 A HN 0.312 nan 8.150 nan 0.000 0.458 238 V N 1.137 121.187 119.914 0.226 0.000 2.324 238 V HA -0.315 3.538 4.120 -0.445 0.000 0.250 238 V C 2.974 179.330 176.094 0.437 0.000 1.060 238 V CA 2.474 64.967 62.300 0.322 0.000 1.042 238 V CB -1.112 30.751 31.823 0.066 0.000 0.650 238 V HN 0.836 nan 8.190 nan 0.000 0.450 239 S N 1.737 117.609 115.700 0.287 0.000 2.442 239 S HA -0.223 3.981 4.470 -0.445 0.000 0.236 239 S C 1.691 176.498 174.600 0.345 0.000 1.007 239 S CA 1.431 59.792 58.200 0.267 0.000 0.965 239 S CB -0.453 62.828 63.200 0.136 0.000 0.773 239 S HN 0.857 nan 8.310 nan 0.000 0.504 240 R N -0.703 120.013 120.500 0.360 0.000 2.577 240 R HA 0.362 4.435 4.340 -0.445 0.000 0.344 240 R C 0.509 177.028 176.300 0.366 0.000 1.037 240 R CA -0.325 55.982 56.100 0.346 0.000 1.102 240 R CB -0.176 30.071 30.300 -0.088 0.000 1.313 240 R HN 0.435 nan 8.270 nan 0.000 0.561 241 H N -0.400 118.993 119.070 0.538 0.000 3.540 241 H HA 0.271 4.559 4.556 -0.447 0.000 0.259 241 H C -1.041 174.442 175.328 0.259 0.000 1.197 241 H CA -0.097 56.196 56.048 0.408 0.000 1.136 241 H CB 0.722 30.727 29.762 0.404 0.000 1.605 241 H HN 0.032 nan 8.280 nan 0.000 0.657 242 F N 1.709 121.954 119.950 0.492 0.000 2.557 242 F HA 0.349 4.602 4.527 -0.457 0.000 0.316 242 F C 0.027 175.996 175.800 0.282 0.000 1.141 242 F CA -1.081 57.169 58.000 0.416 0.000 0.922 242 F CB 1.963 41.239 39.000 0.460 0.000 1.194 242 F HN -0.216 nan 8.300 nan 0.000 0.443 243 V N 0.260 120.354 119.914 0.300 0.000 3.074 243 V HA 1.031 4.884 4.120 -0.445 0.000 0.314 243 V C -1.010 175.181 176.094 0.162 0.000 1.117 243 V CA -1.139 61.241 62.300 0.133 0.000 1.014 243 V CB 1.622 33.375 31.823 -0.116 0.000 1.057 243 V HN 0.958 nan 8.190 nan 0.000 0.438 244 A N 1.499 124.374 122.820 0.091 0.000 2.356 244 A HA 0.819 4.873 4.320 -0.445 0.000 0.310 244 A C -0.825 176.845 177.584 0.144 0.000 1.075 244 A CA -0.647 51.462 52.037 0.120 0.000 0.746 244 A CB 1.858 20.802 19.000 -0.094 0.000 1.221 244 A HN 1.394 nan 8.150 nan 0.000 0.443 245 V N 2.361 122.392 119.914 0.195 0.000 2.304 245 V HA 0.627 4.480 4.120 -0.445 0.000 0.269 245 V C 0.390 176.634 176.094 0.249 0.000 1.036 245 V CA 0.259 62.685 62.300 0.210 0.000 0.840 245 V CB 0.040 31.956 31.823 0.155 0.000 1.036 245 V HN 0.992 nan 8.190 nan 0.000 0.466 246 S N 2.990 118.757 115.700 0.112 0.000 2.727 246 S HA 0.513 4.716 4.470 -0.445 0.000 0.278 246 S C 0.295 174.773 174.600 -0.203 0.000 1.186 246 S CA 0.277 58.481 58.200 0.006 0.000 0.836 246 S CB 2.326 65.507 63.200 -0.032 0.000 1.186 246 S HN 0.512 nan 8.310 nan 0.000 0.499 247 T N 1.256 115.651 114.554 -0.265 0.000 3.016 247 T HA 0.340 4.423 4.350 -0.445 0.000 0.271 247 T C -0.344 174.222 174.700 -0.224 0.000 0.968 247 T CA -0.143 61.770 62.100 -0.312 0.000 0.891 247 T CB -0.254 68.364 68.868 -0.417 0.000 1.149 247 T HN 0.412 nan 8.240 nan 0.000 0.524 248 N N 1.782 120.361 118.700 -0.200 0.000 2.678 248 N HA 0.283 4.756 4.740 -0.445 0.000 0.231 248 N C 1.076 176.460 175.510 -0.210 0.000 1.038 248 N CA 0.133 53.088 53.050 -0.159 0.000 0.932 248 N CB 1.285 39.724 38.487 -0.080 0.000 1.176 248 N HN 0.299 nan 8.380 nan 0.000 0.511 249 K N 3.163 123.460 120.400 -0.172 0.000 2.147 249 K HA -0.133 3.920 4.320 -0.445 0.000 0.205 249 K C 1.844 178.360 176.600 -0.140 0.000 1.049 249 K CA 1.403 57.587 56.287 -0.171 0.000 0.936 249 K CB -0.384 32.041 32.500 -0.126 0.000 0.722 249 K HN 0.647 nan 8.250 nan 0.000 0.446 250 R N -0.271 120.171 120.500 -0.098 0.000 2.240 250 R HA 0.165 4.238 4.340 -0.445 0.000 0.203 250 R C 1.918 178.197 176.300 -0.035 0.000 1.011 250 R CA 0.607 56.673 56.100 -0.057 0.000 1.007 250 R CB -0.179 30.101 30.300 -0.033 0.000 0.911 250 R HN 0.444 nan 8.270 nan 0.000 0.468 251 L N -0.337 120.855 121.223 -0.052 0.000 2.253 251 L HA 0.009 4.082 4.340 -0.445 0.000 0.205 251 L C 2.253 179.106 176.870 -0.029 0.000 1.078 251 L CA 0.164 55.030 54.840 0.044 0.000 0.805 251 L CB -0.084 42.077 42.059 0.170 0.000 0.963 251 L HN -0.035 nan 8.230 nan 0.000 0.459 252 V N -0.464 119.198 119.914 -0.419 0.000 2.255 252 V HA -0.264 3.589 4.120 -0.445 0.000 0.247 252 V C 0.692 176.719 176.094 -0.112 0.000 1.051 252 V CA 1.586 63.523 62.300 -0.604 0.000 1.018 252 V CB -0.331 31.071 31.823 -0.701 0.000 0.641 252 V HN 0.356 nan 8.190 nan 0.000 0.445 253 D N 0.034 120.380 120.400 -0.090 0.000 2.232 253 D HA 0.261 4.634 4.640 -0.445 0.000 0.242 253 D C -0.551 175.748 176.300 -0.001 0.000 1.093 253 D CA -0.645 53.350 54.000 -0.008 0.000 0.845 253 D CB 1.181 41.963 40.800 -0.030 0.000 1.124 253 D HN 0.458 nan 8.370 nan 0.000 0.467 254 D N 2.605 123.032 120.400 0.044 0.000 2.895 254 D HA 0.041 4.414 4.640 -0.445 0.000 0.258 254 D C 0.905 177.254 176.300 0.082 0.000 1.311 254 D CA -0.498 53.528 54.000 0.043 0.000 0.843 254 D CB -0.666 40.141 40.800 0.012 0.000 1.055 254 D HN 0.292 nan 8.370 nan 0.000 0.486 255 F N 1.798 121.758 119.950 0.016 0.000 2.407 255 F HA 0.186 4.452 4.527 -0.435 0.000 0.299 255 F C 1.797 177.574 175.800 -0.040 0.000 1.097 255 F CA 1.436 59.454 58.000 0.031 0.000 1.422 255 F CB 0.382 39.493 39.000 0.185 0.000 1.067 255 F HN 0.298 nan 8.300 nan 0.000 0.539 256 G N 0.606 109.446 108.800 0.066 0.000 2.205 256 G HA2 -0.178 3.515 3.960 -0.445 0.000 0.180 256 G HA3 -0.178 3.515 3.960 -0.445 0.000 0.180 256 G C 0.149 175.123 174.900 0.124 0.000 1.004 256 G CA -0.064 45.038 45.100 0.004 0.000 0.670 256 G HN 0.266 nan 8.290 nan 0.000 0.496 257 I N 1.612 122.305 120.570 0.204 0.000 2.365 257 I HA 0.185 4.088 4.170 -0.445 0.000 0.291 257 I C 0.796 176.961 176.117 0.081 0.000 1.004 257 I CA -0.549 60.869 61.300 0.196 0.000 1.311 257 I CB 1.233 39.351 38.000 0.197 0.000 1.401 257 I HN 0.191 nan 8.210 nan 0.000 0.491 258 N N 3.845 122.599 118.700 0.091 0.000 2.440 258 N HA -0.029 4.444 4.740 -0.445 0.000 0.265 258 N C 0.918 176.402 175.510 -0.042 0.000 1.239 258 N CA -0.068 53.002 53.050 0.033 0.000 0.909 258 N CB 0.795 39.322 38.487 0.065 0.000 1.066 258 N HN 0.612 nan 8.380 nan 0.000 0.474 259 T N 1.799 116.310 114.554 -0.072 0.000 2.897 259 T HA -0.165 3.918 4.350 -0.445 0.000 0.271 259 T C 0.695 175.286 174.700 -0.183 0.000 1.084 259 T CA 1.394 63.415 62.100 -0.131 0.000 1.123 259 T CB -0.205 68.599 68.868 -0.108 0.000 0.865 259 T HN 0.724 nan 8.240 nan 0.000 0.496 260 D N 0.301 120.613 120.400 -0.147 0.000 2.340 260 D HA 0.007 4.380 4.640 -0.445 0.000 0.220 260 D C 0.838 176.939 176.300 -0.331 0.000 1.039 260 D CA 0.123 54.007 54.000 -0.194 0.000 0.866 260 D CB -0.332 40.417 40.800 -0.086 0.000 0.913 260 D HN 0.152 nan 8.370 nan 0.000 0.523 261 N N 0.309 118.814 118.700 -0.325 0.000 2.376 261 N HA 0.130 4.603 4.740 -0.445 0.000 0.249 261 N C -0.540 174.564 175.510 -0.677 0.000 1.140 261 N CA -0.085 52.668 53.050 -0.495 0.000 0.870 261 N CB 0.429 38.850 38.487 -0.110 0.000 1.124 261 N HN 0.318 nan 8.380 nan 0.000 0.505 262 M N 0.870 120.008 119.600 -0.769 0.000 2.125 262 M HA 0.377 4.590 4.480 -0.445 0.000 0.321 262 M C -1.594 174.282 176.300 -0.707 0.000 0.983 262 M CA -0.596 54.362 55.300 -0.570 0.000 0.934 262 M CB 0.676 33.055 32.600 -0.369 0.000 1.542 262 M HN -0.162 nan 8.290 nan 0.000 0.424 263 F N 2.981 122.840 119.950 -0.151 0.000 2.411 263 F HA 0.659 4.933 4.527 -0.421 0.000 0.352 263 F C 0.864 176.595 175.800 -0.116 0.000 1.123 263 F CA -0.667 57.258 58.000 -0.125 0.000 1.044 263 F CB 1.373 40.301 39.000 -0.120 0.000 1.135 263 F HN 0.571 nan 8.300 nan 0.000 0.461 264 G N 2.111 110.871 108.800 -0.068 0.000 2.488 264 G HA2 0.693 4.386 3.960 -0.445 0.000 0.318 264 G HA3 0.693 4.386 3.960 -0.445 0.000 0.318 264 G C -1.501 173.116 174.900 -0.472 0.000 1.188 264 G CA -0.558 44.372 45.100 -0.283 0.000 0.944 264 G HN 0.585 nan 8.290 nan 0.000 0.495 265 F N -2.444 116.946 119.950 -0.934 0.000 2.711 265 F HA 0.744 5.003 4.527 -0.447 0.000 0.313 265 F C -1.302 173.837 175.800 -1.101 0.000 1.141 265 F CA -2.579 54.641 58.000 -1.299 0.000 0.941 265 F CB 1.057 39.744 39.000 -0.522 0.000 1.349 265 F HN 0.459 nan 8.300 nan 0.000 0.464 266 W N 0.957 121.917 121.300 -0.566 0.000 2.578 266 W HA 0.282 4.703 4.660 -0.398 0.000 0.364 266 W C 0.199 176.266 176.519 -0.754 0.000 1.144 266 W CA -0.395 56.440 57.345 -0.850 0.000 1.242 266 W CB 0.993 29.599 29.460 -1.423 0.000 1.382 266 W HN 0.564 nan 8.180 nan 0.000 0.625 267 D N 0.553 120.746 120.400 -0.345 0.000 2.221 267 D HA -0.146 4.227 4.640 -0.445 0.000 0.204 267 D C 1.917 178.187 176.300 -0.051 0.000 0.982 267 D CA 1.449 55.348 54.000 -0.168 0.000 0.857 267 D CB -0.091 40.670 40.800 -0.065 0.000 0.934 267 D HN 0.484 nan 8.370 nan 0.000 0.475 268 W N 1.078 122.447 121.300 0.114 0.000 3.180 268 W HA 0.212 4.617 4.660 -0.425 0.000 0.254 268 W C 0.429 177.008 176.519 0.100 0.000 1.318 268 W CA -0.294 57.074 57.345 0.038 0.000 1.608 268 W CB -0.500 28.931 29.460 -0.049 0.000 1.124 268 W HN -0.259 nan 8.180 nan 0.000 0.694 269 V N 2.738 122.785 119.914 0.221 0.000 2.328 269 V HA 0.709 4.562 4.120 -0.445 0.000 0.278 269 V C 0.530 176.802 176.094 0.295 0.000 1.021 269 V CA -0.355 62.146 62.300 0.334 0.000 0.838 269 V CB 0.482 32.514 31.823 0.349 0.000 0.999 269 V HN 0.084 nan 8.190 nan 0.000 0.447 270 G N 4.499 113.490 108.800 0.319 0.000 2.527 270 G HA2 0.403 4.097 3.960 -0.445 0.000 0.248 270 G HA3 0.403 4.097 3.960 -0.445 0.000 0.248 270 G C 1.012 176.078 174.900 0.277 0.000 1.231 270 G CA 0.073 45.366 45.100 0.321 0.000 0.838 270 G HN 1.273 nan 8.290 nan 0.000 0.570 271 G N 1.198 110.106 108.800 0.179 0.000 2.446 271 G HA2 -0.259 3.434 3.960 -0.445 0.000 0.217 271 G HA3 -0.259 3.434 3.960 -0.445 0.000 0.217 271 G C 1.667 176.572 174.900 0.010 0.000 1.168 271 G CA 0.914 46.069 45.100 0.091 0.000 0.771 271 G HN 0.775 nan 8.290 nan 0.000 0.551 272 R N -0.806 119.658 120.500 -0.060 0.000 2.339 272 R HA 0.110 4.183 4.340 -0.445 0.000 0.199 272 R C 0.530 176.554 176.300 -0.459 0.000 1.018 272 R CA 0.627 56.542 56.100 -0.309 0.000 1.036 272 R CB -0.332 29.707 30.300 -0.435 0.000 0.899 272 R HN 0.472 nan 8.270 nan 0.000 0.473 273 Y N 0.436 120.714 120.300 -0.036 0.000 2.682 273 Y HA 0.179 4.461 4.550 -0.448 0.000 0.251 273 Y C 1.526 177.445 175.900 0.033 0.000 1.172 273 Y CA -0.186 57.886 58.100 -0.046 0.000 1.186 273 Y CB 1.230 39.565 38.460 -0.209 0.000 1.216 273 Y HN 0.202 nan 8.280 nan 0.000 0.540 274 S N -2.168 113.605 115.700 0.122 0.000 2.535 274 S HA -0.029 4.174 4.470 -0.445 0.000 0.214 274 S C 1.722 176.328 174.600 0.010 0.000 0.980 274 S CA 0.434 58.645 58.200 0.019 0.000 0.907 274 S CB -0.190 62.918 63.200 -0.154 0.000 0.790 274 S HN 0.222 nan 8.310 nan 0.000 0.510 275 V N 3.740 123.730 119.914 0.126 0.000 2.594 275 V HA -0.136 3.717 4.120 -0.445 0.000 0.253 275 V C 1.563 177.812 176.094 0.257 0.000 1.069 275 V CA 2.303 64.727 62.300 0.206 0.000 1.082 275 V CB -0.574 31.442 31.823 0.320 0.000 0.680 275 V HN 0.733 nan 8.190 nan 0.000 0.469 276 D N -0.324 120.117 120.400 0.069 0.000 2.319 276 D HA 0.026 4.399 4.640 -0.445 0.000 0.230 276 D C 1.127 177.502 176.300 0.125 0.000 1.094 276 D CA 0.767 54.725 54.000 -0.069 0.000 0.856 276 D CB -0.042 40.266 40.800 -0.820 0.000 0.915 276 D HN 0.614 nan 8.370 nan 0.000 0.517 277 S N -0.291 115.491 115.700 0.137 0.000 2.561 277 S HA 0.582 4.785 4.470 -0.445 0.000 0.282 277 S C 1.634 176.281 174.600 0.077 0.000 1.123 277 S CA -0.109 58.169 58.200 0.129 0.000 1.011 277 S CB 1.003 64.220 63.200 0.028 0.000 1.244 277 S HN 0.007 nan 8.310 nan 0.000 0.503 278 A N 0.092 122.894 122.820 -0.029 0.000 2.125 278 A HA 0.059 4.113 4.320 -0.445 0.000 0.219 278 A C 1.929 179.430 177.584 -0.137 0.000 1.156 278 A CA 0.866 52.856 52.037 -0.078 0.000 0.671 278 A CB -1.068 17.938 19.000 0.010 0.000 0.794 278 A HN 0.701 nan 8.150 nan 0.000 0.459 279 I N -0.095 120.339 120.570 -0.227 0.000 2.567 279 I HA -0.168 3.735 4.170 -0.445 0.000 0.257 279 I C 2.229 178.339 176.117 -0.011 0.000 1.184 279 I CA 1.366 62.558 61.300 -0.179 0.000 1.451 279 I CB -1.532 36.299 38.000 -0.283 0.000 1.089 279 I HN 0.377 nan 8.210 nan 0.000 0.441 280 G N 0.350 109.199 108.800 0.082 0.000 3.124 280 G HA2 -0.016 3.677 3.960 -0.445 0.000 0.212 280 G HA3 -0.016 3.677 3.960 -0.445 0.000 0.212 280 G C 1.543 176.431 174.900 -0.019 0.000 1.181 280 G CA -0.197 45.038 45.100 0.224 0.000 0.803 280 G HN 0.257 nan 8.290 nan 0.000 0.529 281 L N 1.948 123.082 121.223 -0.148 0.000 2.043 281 L HA -0.161 3.912 4.340 -0.445 0.000 0.212 281 L C 3.032 179.798 176.870 -0.174 0.000 1.075 281 L CA 2.642 57.321 54.840 -0.269 0.000 0.752 281 L CB -0.535 41.349 42.059 -0.291 0.000 0.891 281 L HN 0.318 nan 8.230 nan 0.000 0.432 282 S N -1.163 114.496 115.700 -0.067 0.000 2.368 282 S HA -0.207 3.996 4.470 -0.445 0.000 0.224 282 S C 2.025 176.635 174.600 0.016 0.000 1.029 282 S CA 1.199 59.368 58.200 -0.052 0.000 0.988 282 S CB -1.106 62.073 63.200 -0.034 0.000 0.838 282 S HN 0.396 nan 8.310 nan 0.000 0.462 283 L N 1.461 122.746 121.223 0.103 0.000 1.989 283 L HA 0.069 4.142 4.340 -0.445 0.000 0.211 283 L C 2.680 179.615 176.870 0.108 0.000 1.071 283 L CA 2.308 57.245 54.840 0.161 0.000 0.749 283 L CB -0.666 41.522 42.059 0.216 0.000 0.890 283 L HN 0.472 nan 8.230 nan 0.000 0.431 284 M N -1.523 118.061 119.600 -0.025 0.000 2.202 284 M HA -0.231 3.982 4.480 -0.445 0.000 0.262 284 M C 1.876 178.112 176.300 -0.106 0.000 1.063 284 M CA 2.170 57.385 55.300 -0.141 0.000 1.097 284 M CB -0.252 32.013 32.600 -0.557 0.000 1.382 284 M HN 0.358 nan 8.290 nan 0.000 0.413 285 T N 0.152 114.632 114.554 -0.122 0.000 2.746 285 T HA -0.121 3.962 4.350 -0.445 0.000 0.267 285 T C 1.637 176.290 174.700 -0.077 0.000 1.039 285 T CA 1.858 63.872 62.100 -0.143 0.000 1.142 285 T CB -0.499 68.266 68.868 -0.171 0.000 0.866 285 T HN 0.564 nan 8.240 nan 0.000 0.444 286 V N 0.671 120.584 119.914 -0.000 0.000 2.878 286 V HA 0.240 4.093 4.120 -0.445 0.000 0.250 286 V C 1.936 178.062 176.094 0.054 0.000 1.075 286 V CA 0.837 63.167 62.300 0.050 0.000 1.096 286 V CB -0.760 31.169 31.823 0.177 0.000 0.724 286 V HN 0.668 nan 8.190 nan 0.000 0.467 287 I N -1.638 118.971 120.570 0.065 0.000 4.070 287 I HA 0.774 4.677 4.170 -0.445 0.000 0.328 287 I C 0.944 177.101 176.117 0.067 0.000 1.298 287 I CA 0.374 61.719 61.300 0.076 0.000 1.173 287 I CB 0.305 38.357 38.000 0.086 0.000 1.051 287 I HN 0.489 nan 8.210 nan 0.000 0.409 288 G N 2.992 111.819 108.800 0.046 0.000 2.663 288 G HA2 -0.198 3.495 3.960 -0.445 0.000 0.686 288 G HA3 -0.198 3.495 3.960 -0.445 0.000 0.686 288 G C 0.560 175.510 174.900 0.082 0.000 1.246 288 G CA -0.111 45.009 45.100 0.035 0.000 0.795 288 G HN 0.599 nan 8.290 nan 0.000 0.627 289 R N 0.179 120.712 120.500 0.056 0.000 2.152 289 R HA -0.084 3.989 4.340 -0.445 0.000 0.232 289 R C 1.257 177.659 176.300 0.170 0.000 1.117 289 R CA 2.165 58.325 56.100 0.099 0.000 0.981 289 R CB -0.284 30.047 30.300 0.052 0.000 0.870 289 R HN 0.503 nan 8.270 nan 0.000 0.451 290 D N 1.631 122.105 120.400 0.123 0.000 2.091 290 D HA -0.025 4.348 4.640 -0.445 0.000 0.199 290 D C 2.043 178.417 176.300 0.123 0.000 0.980 290 D CA 1.885 55.954 54.000 0.115 0.000 0.831 290 D CB -0.341 40.508 40.800 0.081 0.000 0.987 290 D HN 0.368 nan 8.370 nan 0.000 0.460 291 A N 0.362 123.247 122.820 0.109 0.000 1.933 291 A HA -0.171 3.882 4.320 -0.445 0.000 0.218 291 A C 2.114 179.775 177.584 0.127 0.000 1.175 291 A CA 0.920 52.998 52.037 0.069 0.000 0.628 291 A CB -1.037 17.979 19.000 0.027 0.000 0.814 291 A HN 0.218 nan 8.150 nan 0.000 0.444 292 F N 0.885 120.874 119.950 0.065 0.000 2.161 292 F HA -0.145 4.118 4.527 -0.441 0.000 0.300 292 F C 2.524 178.446 175.800 0.204 0.000 1.089 292 F CA 1.242 59.328 58.000 0.142 0.000 1.282 292 F CB -0.245 38.816 39.000 0.102 0.000 1.010 292 F HN 0.255 nan 8.300 nan 0.000 0.485 293 A N -0.350 122.634 122.820 0.272 0.000 1.969 293 A HA -0.166 3.887 4.320 -0.445 0.000 0.218 293 A C 1.902 179.553 177.584 0.112 0.000 1.169 293 A CA 1.831 53.977 52.037 0.181 0.000 0.635 293 A CB -0.809 18.297 19.000 0.176 0.000 0.810 293 A HN 0.397 nan 8.150 nan 0.000 0.445 294 D N -0.978 119.483 120.400 0.102 0.000 2.144 294 D HA -0.114 4.259 4.640 -0.445 0.000 0.200 294 D C 1.533 177.895 176.300 0.103 0.000 0.978 294 D CA 0.953 54.999 54.000 0.077 0.000 0.833 294 D CB -0.443 40.377 40.800 0.035 0.000 0.961 294 D HN 0.433 nan 8.370 nan 0.000 0.470 295 F N 1.714 121.608 119.950 -0.093 0.000 2.069 295 F HA -0.147 4.111 4.527 -0.448 0.000 0.298 295 F C 2.079 177.935 175.800 0.093 0.000 1.113 295 F CA 1.202 59.145 58.000 -0.096 0.000 1.214 295 F CB -0.551 38.283 39.000 -0.276 0.000 0.978 295 F HN -0.113 nan 8.300 nan 0.000 0.474 296 L N -0.161 121.019 121.223 -0.072 0.000 2.083 296 L HA -0.198 3.876 4.340 -0.445 0.000 0.209 296 L C 2.752 179.700 176.870 0.130 0.000 1.083 296 L CA 1.197 56.007 54.840 -0.050 0.000 0.752 296 L CB -1.420 40.592 42.059 -0.079 0.000 0.899 296 L HN 0.256 nan 8.230 nan 0.000 0.433 297 A N 0.503 123.389 122.820 0.110 0.000 1.972 297 A HA -0.115 3.938 4.320 -0.445 0.000 0.219 297 A C 2.405 180.089 177.584 0.167 0.000 1.169 297 A CA 1.676 53.800 52.037 0.145 0.000 0.635 297 A CB -1.067 17.997 19.000 0.107 0.000 0.810 297 A HN 0.450 nan 8.150 nan 0.000 0.446 298 G N -1.206 107.651 108.800 0.096 0.000 2.402 298 G HA2 -0.125 3.568 3.960 -0.445 0.000 0.216 298 G HA3 -0.125 3.568 3.960 -0.445 0.000 0.216 298 G C 1.339 176.244 174.900 0.009 0.000 1.162 298 G CA 0.976 46.087 45.100 0.019 0.000 0.777 298 G HN 0.436 nan 8.290 nan 0.000 0.539 299 F N 0.237 120.158 119.950 -0.049 0.000 2.095 299 F HA -0.092 4.171 4.527 -0.441 0.000 0.298 299 F C 2.509 178.389 175.800 0.133 0.000 1.104 299 F CA 1.702 59.708 58.000 0.010 0.000 1.232 299 F CB -0.518 38.455 39.000 -0.045 0.000 0.987 299 F HN 0.212 nan 8.300 nan 0.000 0.475 300 H N 0.262 119.488 119.070 0.260 0.000 2.387 300 H HA -0.138 4.151 4.556 -0.445 0.000 0.299 300 H C 2.363 177.795 175.328 0.174 0.000 1.090 300 H CA 1.835 58.006 56.048 0.205 0.000 1.332 300 H CB -0.247 29.603 29.762 0.147 0.000 1.386 300 H HN 0.251 nan 8.280 nan 0.000 0.516 301 I N 0.749 121.400 120.570 0.135 0.000 2.151 301 I HA -0.318 3.586 4.170 -0.445 0.000 0.243 301 I C 2.326 178.491 176.117 0.080 0.000 1.080 301 I CA 0.927 62.268 61.300 0.069 0.000 1.339 301 I CB -0.158 37.889 38.000 0.078 0.000 1.039 301 I HN 0.278 nan 8.210 nan 0.000 0.409 302 I N 0.205 120.851 120.570 0.128 0.000 2.353 302 I HA -0.218 3.685 4.170 -0.445 0.000 0.248 302 I C 2.104 178.421 176.117 0.334 0.000 1.119 302 I CA 1.406 62.828 61.300 0.204 0.000 1.417 302 I CB -1.374 36.725 38.000 0.165 0.000 1.078 302 I HN 0.245 nan 8.210 nan 0.000 0.421 303 D N 0.781 121.380 120.400 0.331 0.000 2.092 303 D HA -0.225 4.148 4.640 -0.445 0.000 0.193 303 D C 2.262 178.622 176.300 0.100 0.000 0.994 303 D CA 1.256 55.485 54.000 0.381 0.000 0.828 303 D CB -0.224 40.806 40.800 0.384 0.000 0.963 303 D HN 0.139 nan 8.370 nan 0.000 0.450 304 R N -0.194 120.242 120.500 -0.107 0.000 2.091 304 R HA -0.183 3.891 4.340 -0.445 0.000 0.238 304 R C 2.280 178.540 176.300 -0.067 0.000 1.136 304 R CA 1.785 57.768 56.100 -0.195 0.000 0.959 304 R CB -0.544 29.620 30.300 -0.227 0.000 0.856 304 R HN 0.372 nan 8.270 nan 0.000 0.437 305 H N -1.270 117.786 119.070 -0.025 0.000 2.357 305 H HA -0.106 4.183 4.556 -0.445 0.000 0.301 305 H C 1.622 176.991 175.328 0.067 0.000 1.082 305 H CA 1.823 57.882 56.048 0.019 0.000 1.342 305 H CB -0.314 29.482 29.762 0.056 0.000 1.389 305 H HN 0.275 nan 8.280 nan 0.000 0.511 306 F N 1.169 121.101 119.950 -0.029 0.000 2.134 306 F HA -0.064 4.196 4.527 -0.446 0.000 0.299 306 F C 2.354 178.034 175.800 -0.200 0.000 1.097 306 F CA 1.435 59.365 58.000 -0.117 0.000 1.264 306 F CB -1.042 37.846 39.000 -0.187 0.000 1.001 306 F HN 0.290 nan 8.300 nan 0.000 0.479 307 A N -0.908 121.686 122.820 -0.377 0.000 2.016 307 A HA -0.048 4.005 4.320 -0.445 0.000 0.217 307 A C 2.126 179.456 177.584 -0.423 0.000 1.162 307 A CA 1.988 53.666 52.037 -0.598 0.000 0.662 307 A CB -1.143 17.320 19.000 -0.896 0.000 0.812 307 A HN 0.501 nan 8.150 nan 0.000 0.450 308 T N -3.534 110.826 114.554 -0.323 0.000 3.038 308 T HA 0.521 4.604 4.350 -0.445 0.000 0.244 308 T C 0.993 175.558 174.700 -0.226 0.000 1.016 308 T CA 0.578 62.530 62.100 -0.247 0.000 1.098 308 T CB -0.580 68.175 68.868 -0.189 0.000 0.954 308 T HN 0.606 nan 8.240 nan 0.000 0.469 309 A N 3.687 126.328 122.820 -0.298 0.000 2.511 309 A HA 0.536 4.590 4.320 -0.445 0.000 0.242 309 A C -2.375 175.089 177.584 -0.200 0.000 1.069 309 A CA -1.092 50.774 52.037 -0.285 0.000 0.763 309 A CB -0.444 18.227 19.000 -0.548 0.000 1.001 309 A HN 0.350 nan 8.150 nan 0.000 0.498 310 P HA 0.098 nan 4.420 nan 0.000 0.269 310 P C 0.755 178.006 177.300 -0.082 0.000 1.209 310 P CA -0.495 62.548 63.100 -0.094 0.000 0.776 310 P CB 0.374 32.036 31.700 -0.064 0.000 0.876 311 L N 2.262 123.444 121.223 -0.068 0.000 2.129 311 L HA -0.204 3.869 4.340 -0.445 0.000 0.212 311 L C 1.896 178.736 176.870 -0.051 0.000 1.087 311 L CA 1.938 56.747 54.840 -0.051 0.000 0.757 311 L CB -1.388 40.643 42.059 -0.046 0.000 0.896 311 L HN 0.419 nan 8.230 nan 0.000 0.434 312 E N -1.430 118.742 120.200 -0.047 0.000 2.268 312 E HA -0.052 4.032 4.350 -0.445 0.000 0.195 312 E C 1.403 177.998 176.600 -0.007 0.000 0.995 312 E CA 0.897 57.276 56.400 -0.035 0.000 0.836 312 E CB 0.012 29.695 29.700 -0.029 0.000 0.763 312 E HN 0.251 nan 8.360 nan 0.000 0.491 313 S N -0.033 115.666 115.700 -0.002 0.000 2.843 313 S HA 0.152 4.355 4.470 -0.445 0.000 0.249 313 S C -0.222 174.420 174.600 0.070 0.000 1.047 313 S CA -0.556 57.673 58.200 0.047 0.000 1.042 313 S CB 0.139 63.370 63.200 0.051 0.000 0.936 313 S HN 0.095 nan 8.310 nan 0.000 0.531 314 N N 2.031 120.745 118.700 0.023 0.000 2.527 314 N HA 0.412 4.885 4.740 -0.445 0.000 0.236 314 N C 0.915 176.523 175.510 0.164 0.000 0.999 314 N CA -0.019 53.062 53.050 0.053 0.000 0.935 314 N CB 1.360 39.839 38.487 -0.012 0.000 1.132 314 N HN 0.222 nan 8.380 nan 0.000 0.511 315 A N 6.610 129.667 122.820 0.394 0.000 1.859 315 A HA -0.078 3.975 4.320 -0.445 0.000 0.217 315 A C -0.553 177.045 177.584 0.022 0.000 1.198 315 A CA 1.388 53.497 52.037 0.120 0.000 0.629 315 A CB -1.232 17.789 19.000 0.035 0.000 0.830 315 A HN 0.610 nan 8.150 nan 0.000 0.446 316 P HA -0.065 nan 4.420 nan 0.000 0.218 316 P C 1.579 178.873 177.300 -0.009 0.000 1.149 316 P CA 1.357 64.443 63.100 -0.025 0.000 0.817 316 P CB -0.198 31.448 31.700 -0.089 0.000 0.785 317 V N 0.330 120.288 119.914 0.073 0.000 2.323 317 V HA -0.196 3.658 4.120 -0.445 0.000 0.244 317 V C 2.819 178.881 176.094 -0.052 0.000 1.041 317 V CA 1.487 63.831 62.300 0.073 0.000 1.025 317 V CB -1.241 30.658 31.823 0.127 0.000 0.656 317 V HN -0.012 nan 8.190 nan 0.000 0.451 318 L N -0.891 120.254 121.223 -0.130 0.000 2.046 318 L HA -0.192 3.881 4.340 -0.445 0.000 0.208 318 L C 2.418 179.115 176.870 -0.289 0.000 1.077 318 L CA 1.144 55.816 54.840 -0.281 0.000 0.747 318 L CB -0.563 41.199 42.059 -0.495 0.000 0.896 318 L HN 0.281 nan 8.230 nan 0.000 0.432 319 L N -0.158 120.928 121.223 -0.229 0.000 2.056 319 L HA -0.071 4.002 4.340 -0.445 0.000 0.207 319 L C 2.625 179.443 176.870 -0.087 0.000 1.078 319 L CA 2.023 56.762 54.840 -0.168 0.000 0.749 319 L CB -1.807 40.172 42.059 -0.134 0.000 0.901 319 L HN 0.204 nan 8.230 nan 0.000 0.433 320 G N -0.842 107.922 108.800 -0.060 0.000 2.440 320 G HA2 -0.237 3.456 3.960 -0.445 0.000 0.218 320 G HA3 -0.237 3.456 3.960 -0.445 0.000 0.218 320 G C 1.719 176.592 174.900 -0.046 0.000 1.154 320 G CA 0.851 45.939 45.100 -0.021 0.000 0.767 320 G HN 0.347 nan 8.290 nan 0.000 0.552 321 L N -0.052 121.120 121.223 -0.085 0.000 2.093 321 L HA 0.043 4.117 4.340 -0.445 0.000 0.208 321 L C 2.840 179.666 176.870 -0.073 0.000 1.085 321 L CA 0.542 55.328 54.840 -0.091 0.000 0.755 321 L CB -0.274 41.706 42.059 -0.131 0.000 0.904 321 L HN 0.203 nan 8.230 nan 0.000 0.435 322 I N -0.352 120.130 120.570 -0.147 0.000 2.315 322 I HA -0.190 3.713 4.170 -0.445 0.000 0.248 322 I C 2.614 178.700 176.117 -0.053 0.000 1.117 322 I CA 1.276 62.452 61.300 -0.206 0.000 1.404 322 I CB -0.771 36.988 38.000 -0.401 0.000 1.071 322 I HN 0.267 nan 8.210 nan 0.000 0.419 323 G N 1.114 109.950 108.800 0.060 0.000 2.446 323 G HA2 -0.285 3.408 3.960 -0.445 0.000 0.217 323 G HA3 -0.285 3.408 3.960 -0.445 0.000 0.217 323 G C 1.750 176.811 174.900 0.268 0.000 1.168 323 G CA 0.729 45.957 45.100 0.214 0.000 0.771 323 G HN 0.330 nan 8.290 nan 0.000 0.551 324 L N -0.556 120.801 121.223 0.224 0.000 2.046 324 L HA -0.016 4.057 4.340 -0.445 0.000 0.208 324 L C 2.562 179.675 176.870 0.404 0.000 1.077 324 L CA 1.626 56.655 54.840 0.315 0.000 0.747 324 L CB -0.253 41.885 42.059 0.132 0.000 0.896 324 L HN 0.553 nan 8.230 nan 0.000 0.432 325 W N -0.254 121.097 121.300 0.085 0.000 2.302 325 W HA -0.350 4.043 4.660 -0.445 0.000 0.320 325 W C 2.169 178.847 176.519 0.264 0.000 1.241 325 W CA 1.883 59.284 57.345 0.093 0.000 1.264 325 W CB -0.450 28.849 29.460 -0.268 0.000 1.154 325 W HN 0.214 nan 8.180 nan 0.000 0.483 326 Y N 0.547 120.924 120.300 0.129 0.000 2.200 326 Y HA -0.196 4.087 4.550 -0.445 0.000 0.290 326 Y C 3.107 179.073 175.900 0.111 0.000 1.137 326 Y CA 1.822 59.872 58.100 -0.083 0.000 1.163 326 Y CB -1.497 36.861 38.460 -0.171 0.000 0.988 326 Y HN -0.100 nan 8.280 nan 0.000 0.518 327 S N -0.127 115.763 115.700 0.316 0.000 2.345 327 S HA -0.149 4.054 4.470 -0.445 0.000 0.220 327 S C 1.902 176.600 174.600 0.163 0.000 1.031 327 S CA 1.445 59.791 58.200 0.244 0.000 0.996 327 S CB -0.294 63.096 63.200 0.316 0.000 0.882 327 S HN 0.467 nan 8.310 nan 0.000 0.445 328 N N -0.432 118.368 118.700 0.166 0.000 2.416 328 N HA 0.094 4.568 4.740 -0.445 0.000 0.177 328 N C 0.772 175.973 175.510 -0.515 0.000 1.036 328 N CA 0.833 53.822 53.050 -0.101 0.000 0.901 328 N CB -0.058 38.415 38.487 -0.024 0.000 0.976 328 N HN 0.457 nan 8.380 nan 0.000 0.444 329 F N -1.635 118.227 119.950 -0.145 0.000 2.727 329 F HA 0.281 4.541 4.527 -0.445 0.000 0.302 329 F C 1.035 176.375 175.800 -0.765 0.000 1.107 329 F CA -0.146 57.525 58.000 -0.548 0.000 1.277 329 F CB 0.200 38.727 39.000 -0.789 0.000 1.079 329 F HN -0.151 nan 8.300 nan 0.000 0.594 330 F N -0.256 119.542 119.950 -0.255 0.000 2.720 330 F HA 0.404 4.665 4.527 -0.445 0.000 0.301 330 F C 1.841 177.615 175.800 -0.042 0.000 1.103 330 F CA 0.226 58.173 58.000 -0.089 0.000 1.291 330 F CB -0.047 38.983 39.000 0.051 0.000 1.086 330 F HN -0.012 nan 8.300 nan 0.000 0.592 331 G N 1.041 109.907 108.800 0.110 0.000 2.160 331 G HA2 -0.160 3.533 3.960 -0.445 0.000 0.251 331 G HA3 -0.160 3.533 3.960 -0.445 0.000 0.251 331 G C 0.344 175.293 174.900 0.082 0.000 1.008 331 G CA -0.014 45.123 45.100 0.062 0.000 0.724 331 G HN 0.636 nan 8.290 nan 0.000 0.514 332 A N -0.376 122.517 122.820 0.121 0.000 2.451 332 A HA 0.593 4.646 4.320 -0.445 0.000 0.266 332 A C 1.179 178.800 177.584 0.061 0.000 1.119 332 A CA 0.920 53.001 52.037 0.074 0.000 0.786 332 A CB 0.268 19.297 19.000 0.049 0.000 1.061 332 A HN 0.569 nan 8.150 nan 0.000 0.503 333 Q N 1.182 121.003 119.800 0.035 0.000 2.398 333 Q HA 0.049 4.122 4.340 -0.445 0.000 0.204 333 Q C 0.595 176.621 176.000 0.043 0.000 0.932 333 Q CA 0.949 56.769 55.803 0.028 0.000 0.916 333 Q CB 0.159 28.898 28.738 0.002 0.000 1.024 333 Q HN 0.904 nan 8.270 nan 0.000 0.504 334 S N -0.607 115.120 115.700 0.045 0.000 2.618 334 S HA 0.629 4.832 4.470 -0.445 0.000 0.277 334 S C -1.101 173.457 174.600 -0.070 0.000 1.138 334 S CA -1.044 57.193 58.200 0.061 0.000 0.844 334 S CB 2.807 66.138 63.200 0.219 0.000 1.127 334 S HN 0.111 nan 8.310 nan 0.000 0.474 335 R N 0.290 120.596 120.500 -0.324 0.000 2.686 335 R HA 0.605 4.678 4.340 -0.445 0.000 0.283 335 R C -1.400 174.423 176.300 -0.795 0.000 0.978 335 R CA -0.314 55.437 56.100 -0.581 0.000 0.897 335 R CB 2.225 31.992 30.300 -0.889 0.000 1.192 335 R HN 0.804 nan 8.270 nan 0.000 0.457 336 T N 2.408 116.493 114.554 -0.780 0.000 2.823 336 T HA 0.494 4.577 4.350 -0.445 0.000 0.279 336 T C -1.097 173.245 174.700 -0.596 0.000 0.998 336 T CA -0.429 61.014 62.100 -1.095 0.000 0.994 336 T CB 1.074 69.028 68.868 -1.523 0.000 0.960 336 T HN 0.228 nan 8.240 nan 0.000 0.448 337 V N 6.885 126.533 119.914 -0.443 0.000 2.409 337 V HA 0.516 4.369 4.120 -0.445 0.000 0.291 337 V C -0.424 175.587 176.094 -0.137 0.000 1.020 337 V CA -0.724 61.477 62.300 -0.165 0.000 0.848 337 V CB 1.396 33.215 31.823 -0.006 0.000 0.990 337 V HN 0.766 nan 8.190 nan 0.000 0.430 338 L N 7.078 128.214 121.223 -0.145 0.000 2.433 338 L HA 0.426 4.499 4.340 -0.445 0.000 0.256 338 L C -2.690 174.232 176.870 0.087 0.000 1.063 338 L CA -1.491 53.280 54.840 -0.115 0.000 0.922 338 L CB 1.847 43.670 42.059 -0.393 0.000 1.238 338 L HN 0.424 nan 8.230 nan 0.000 0.466 339 P HA 0.110 nan 4.420 nan 0.000 0.282 339 P C -0.857 176.563 177.300 0.200 0.000 1.274 339 P CA -0.207 63.002 63.100 0.181 0.000 0.770 339 P CB 0.362 32.137 31.700 0.126 0.000 0.867 340 Y N 1.988 122.340 120.300 0.086 0.000 2.623 340 Y HA 0.366 4.649 4.550 -0.445 0.000 0.341 340 Y C 0.957 176.913 175.900 0.092 0.000 1.292 340 Y CA 0.505 58.653 58.100 0.080 0.000 1.840 340 Y CB -0.236 38.281 38.460 0.095 0.000 1.865 340 Y HN 0.262 nan 8.280 nan 0.000 0.440 341 S N 1.109 116.893 115.700 0.140 0.000 2.590 341 S HA 0.129 4.332 4.470 -0.445 0.000 0.286 341 S C 0.375 175.009 174.600 0.055 0.000 1.147 341 S CA -0.843 57.444 58.200 0.146 0.000 0.963 341 S CB 0.410 63.781 63.200 0.284 0.000 1.124 341 S HN 0.533 nan 8.310 nan 0.000 0.458 342 N N 3.253 121.965 118.700 0.019 0.000 2.223 342 N HA -0.074 4.399 4.740 -0.445 0.000 0.185 342 N C 0.989 176.498 175.510 -0.002 0.000 1.016 342 N CA 1.959 55.009 53.050 0.000 0.000 0.863 342 N CB 0.051 38.533 38.487 -0.009 0.000 0.983 342 N HN 0.649 nan 8.380 nan 0.000 0.429 343 D N -0.314 120.074 120.400 -0.021 0.000 2.219 343 D HA -0.066 4.307 4.640 -0.445 0.000 0.205 343 D C 0.903 177.192 176.300 -0.018 0.000 0.970 343 D CA 0.505 54.477 54.000 -0.045 0.000 0.851 343 D CB 0.017 40.760 40.800 -0.095 0.000 0.943 343 D HN 0.292 nan 8.370 nan 0.000 0.488 344 L N 1.580 122.815 121.223 0.019 0.000 2.672 344 L HA 0.053 4.126 4.340 -0.445 0.000 0.236 344 L C 1.935 178.874 176.870 0.115 0.000 1.186 344 L CA 0.316 55.197 54.840 0.067 0.000 0.977 344 L CB -0.694 41.409 42.059 0.074 0.000 1.203 344 L HN 0.008 nan 8.230 nan 0.000 0.448 345 S N -0.376 115.367 115.700 0.072 0.000 2.419 345 S HA -0.142 4.061 4.470 -0.445 0.000 0.233 345 S C 1.697 176.354 174.600 0.096 0.000 1.016 345 S CA 0.625 58.870 58.200 0.074 0.000 0.974 345 S CB -0.092 63.135 63.200 0.045 0.000 0.786 345 S HN 0.403 nan 8.310 nan 0.000 0.492 346 R N -0.485 120.072 120.500 0.095 0.000 2.334 346 R HA 0.315 4.388 4.340 -0.445 0.000 0.220 346 R C 1.137 177.518 176.300 0.133 0.000 0.917 346 R CA -0.140 56.012 56.100 0.087 0.000 1.073 346 R CB -0.691 29.632 30.300 0.038 0.000 1.056 346 R HN 0.512 nan 8.270 nan 0.000 0.506 347 F N 2.912 122.873 119.950 0.017 0.000 2.075 347 F HA -0.035 4.225 4.527 -0.445 0.000 0.297 347 F C -0.805 175.018 175.800 0.038 0.000 1.113 347 F CA 0.996 59.008 58.000 0.020 0.000 1.218 347 F CB -0.812 38.193 39.000 0.008 0.000 0.984 347 F HN -0.018 nan 8.300 nan 0.000 0.472 348 P HA -0.181 nan 4.420 nan 0.000 0.216 348 P C 1.488 178.750 177.300 -0.064 0.000 1.150 348 P CA 2.379 65.456 63.100 -0.038 0.000 0.837 348 P CB -0.353 31.375 31.700 0.045 0.000 0.786 349 A N -1.522 121.291 122.820 -0.011 0.000 1.933 349 A HA -0.230 3.823 4.320 -0.445 0.000 0.218 349 A C 2.275 179.814 177.584 -0.075 0.000 1.175 349 A CA 1.399 53.424 52.037 -0.020 0.000 0.628 349 A CB -1.874 17.133 19.000 0.012 0.000 0.814 349 A HN 0.162 nan 8.150 nan 0.000 0.444 350 Y N 0.652 120.821 120.300 -0.217 0.000 2.097 350 Y HA -0.192 4.089 4.550 -0.447 0.000 0.282 350 Y C 1.973 177.645 175.900 -0.380 0.000 1.152 350 Y CA 1.997 59.928 58.100 -0.282 0.000 1.136 350 Y CB -0.305 37.969 38.460 -0.310 0.000 0.975 350 Y HN 0.212 nan 8.280 nan 0.000 0.498 351 L N 0.070 121.037 121.223 -0.427 0.000 2.127 351 L HA -0.282 3.791 4.340 -0.445 0.000 0.211 351 L C 2.496 179.092 176.870 -0.457 0.000 1.089 351 L CA 1.431 55.940 54.840 -0.552 0.000 0.757 351 L CB -0.694 40.988 42.059 -0.629 0.000 0.899 351 L HN 0.395 nan 8.230 nan 0.000 0.434 352 Q N -0.318 119.317 119.800 -0.274 0.000 2.061 352 Q HA -0.316 3.757 4.340 -0.445 0.000 0.204 352 Q C 2.252 178.107 176.000 -0.241 0.000 0.984 352 Q CA 2.101 57.805 55.803 -0.165 0.000 0.846 352 Q CB -0.156 28.544 28.738 -0.064 0.000 0.902 352 Q HN 0.540 nan 8.270 nan 0.000 0.421 353 Q N 0.338 119.953 119.800 -0.308 0.000 2.046 353 Q HA -0.193 3.881 4.340 -0.445 0.000 0.200 353 Q C 2.170 177.930 176.000 -0.401 0.000 0.975 353 Q CA 1.027 56.639 55.803 -0.317 0.000 0.836 353 Q CB -0.116 28.424 28.738 -0.329 0.000 0.896 353 Q HN 0.299 nan 8.270 nan 0.000 0.428 354 L N 0.823 121.698 121.223 -0.580 0.000 1.997 354 L HA -0.228 3.845 4.340 -0.445 0.000 0.216 354 L C 2.404 179.010 176.870 -0.439 0.000 1.074 354 L CA 2.912 57.383 54.840 -0.614 0.000 0.763 354 L CB -1.241 40.420 42.059 -0.663 0.000 0.890 354 L HN 0.546 nan 8.230 nan 0.000 0.434 355 T N -3.516 110.759 114.554 -0.465 0.000 2.770 355 T HA -0.108 3.975 4.350 -0.445 0.000 0.258 355 T C 1.837 176.404 174.700 -0.222 0.000 1.039 355 T CA 1.410 63.249 62.100 -0.434 0.000 1.143 355 T CB -0.498 67.786 68.868 -0.974 0.000 0.866 355 T HN 0.362 nan 8.240 nan 0.000 0.428 356 M N 0.909 120.400 119.600 -0.181 0.000 2.236 356 M HA 0.178 4.391 4.480 -0.445 0.000 0.266 356 M C 2.550 178.807 176.300 -0.071 0.000 1.070 356 M CA 1.309 56.568 55.300 -0.068 0.000 1.137 356 M CB -0.293 32.292 32.600 -0.026 0.000 1.378 356 M HN 0.311 nan 8.290 nan 0.000 0.426 357 E N 0.043 120.177 120.200 -0.110 0.000 2.208 357 E HA -0.107 3.976 4.350 -0.445 0.000 0.193 357 E C 1.780 178.340 176.600 -0.066 0.000 0.988 357 E CA 0.996 57.345 56.400 -0.085 0.000 0.828 357 E CB 0.275 29.912 29.700 -0.106 0.000 0.763 357 E HN 0.371 nan 8.360 nan 0.000 0.478 358 S N 0.823 116.468 115.700 -0.091 0.000 2.345 358 S HA -0.040 4.163 4.470 -0.445 0.000 0.219 358 S C 1.373 175.944 174.600 -0.048 0.000 1.031 358 S CA 1.004 59.158 58.200 -0.077 0.000 0.984 358 S CB -0.037 63.109 63.200 -0.089 0.000 0.874 358 S HN 0.279 nan 8.310 nan 0.000 0.451 359 N N 0.670 119.364 118.700 -0.009 0.000 2.205 359 N HA 0.167 4.640 4.740 -0.445 0.000 0.201 359 N C 0.524 176.032 175.510 -0.003 0.000 1.128 359 N CA 0.043 53.128 53.050 0.058 0.000 0.867 359 N CB 0.277 38.899 38.487 0.224 0.000 0.996 359 N HN 0.307 nan 8.380 nan 0.000 0.503 360 G N 1.358 110.147 108.800 -0.019 0.000 2.924 360 G HA2 0.103 3.796 3.960 -0.445 0.000 0.273 360 G HA3 0.103 3.796 3.960 -0.445 0.000 0.273 360 G C 0.120 175.002 174.900 -0.030 0.000 0.734 360 G CA 0.063 45.141 45.100 -0.035 0.000 2.065 360 G HN -0.117 nan 8.290 nan 0.000 0.580 361 K N 0.244 120.612 120.400 -0.053 0.000 2.443 361 K HA 0.528 4.581 4.320 -0.445 0.000 0.251 361 K C -0.050 176.510 176.600 -0.067 0.000 0.972 361 K CA -1.004 55.266 56.287 -0.028 0.000 0.833 361 K CB 1.947 34.452 32.500 0.007 0.000 1.317 361 K HN 0.024 nan 8.250 nan 0.000 0.441 362 S N -0.119 115.556 115.700 -0.042 0.000 2.733 362 S HA 0.155 4.359 4.470 -0.445 0.000 0.247 362 S C -0.268 174.307 174.600 -0.043 0.000 1.043 362 S CA -0.087 58.076 58.200 -0.060 0.000 1.066 362 S CB 0.726 63.896 63.200 -0.051 0.000 1.045 362 S HN 0.532 nan 8.310 nan 0.000 0.586 363 T N 2.444 116.988 114.554 -0.017 0.000 2.861 363 T HA 0.443 4.526 4.350 -0.445 0.000 0.287 363 T C -0.091 174.620 174.700 0.019 0.000 1.003 363 T CA -0.631 61.467 62.100 -0.004 0.000 0.977 363 T CB 1.551 70.422 68.868 0.005 0.000 0.996 363 T HN 0.124 nan 8.240 nan 0.000 0.448 364 R N 0.940 121.451 120.500 0.017 0.000 2.649 364 R HA 0.492 4.565 4.340 -0.445 0.000 0.270 364 R C 1.623 177.955 176.300 0.053 0.000 1.105 364 R CA -0.347 55.778 56.100 0.040 0.000 1.193 364 R CB 0.220 30.538 30.300 0.030 0.000 1.120 364 R HN 0.734 nan 8.270 nan 0.000 0.561 365 A N 1.342 124.204 122.820 0.071 0.000 1.978 365 A HA -0.227 3.826 4.320 -0.445 0.000 0.220 365 A C 1.568 179.193 177.584 0.068 0.000 1.170 365 A CA 2.097 54.186 52.037 0.087 0.000 0.636 365 A CB -0.573 18.486 19.000 0.098 0.000 0.810 365 A HN 0.882 nan 8.150 nan 0.000 0.448 366 D N -2.163 118.265 120.400 0.048 0.000 2.183 366 D HA 0.191 4.565 4.640 -0.445 0.000 0.203 366 D C 1.326 177.636 176.300 0.016 0.000 0.969 366 D CA 1.583 55.602 54.000 0.032 0.000 0.842 366 D CB -0.609 40.205 40.800 0.023 0.000 0.957 366 D HN 0.914 nan 8.370 nan 0.000 0.484 367 G N -0.436 108.371 108.800 0.011 0.000 2.227 367 G HA2 -0.167 3.526 3.960 -0.445 0.000 0.168 367 G HA3 -0.167 3.526 3.960 -0.445 0.000 0.168 367 G C 0.244 175.134 174.900 -0.017 0.000 1.006 367 G CA 0.218 45.313 45.100 -0.009 0.000 0.684 367 G HN 0.753 nan 8.290 nan 0.000 0.489 368 S N 1.153 116.847 115.700 -0.011 0.000 2.603 368 S HA 0.690 4.893 4.470 -0.445 0.000 0.268 368 S C -2.126 172.460 174.600 -0.024 0.000 1.317 368 S CA -1.081 57.108 58.200 -0.018 0.000 1.012 368 S CB 1.920 65.111 63.200 -0.016 0.000 0.926 368 S HN 0.266 nan 8.310 nan 0.000 0.539 369 P HA 0.219 nan 4.420 nan 0.000 0.275 369 P C 0.197 177.465 177.300 -0.054 0.000 1.227 369 P CA -0.561 62.513 63.100 -0.043 0.000 0.781 369 P CB 0.607 32.280 31.700 -0.045 0.000 0.906 370 V N 0.695 120.569 119.914 -0.067 0.000 2.924 370 V HA 0.196 4.049 4.120 -0.445 0.000 0.305 370 V C 0.922 176.951 176.094 -0.110 0.000 1.073 370 V CA 0.227 62.472 62.300 -0.091 0.000 1.098 370 V CB 0.090 31.842 31.823 -0.119 0.000 1.000 370 V HN 0.507 nan 8.190 nan 0.000 0.484 371 S N 1.898 117.514 115.700 -0.141 0.000 2.539 371 S HA 0.684 4.887 4.470 -0.445 0.000 0.221 371 S C 0.488 174.992 174.600 -0.160 0.000 0.987 371 S CA 0.399 58.511 58.200 -0.147 0.000 0.929 371 S CB 0.335 63.430 63.200 -0.174 0.000 0.832 371 S HN 1.461 nan 8.310 nan 0.000 0.492 372 A N 0.855 123.568 122.820 -0.178 0.000 2.583 372 A HA 0.607 4.660 4.320 -0.445 0.000 0.289 372 A C -1.629 175.829 177.584 -0.210 0.000 1.151 372 A CA -0.798 51.148 52.037 -0.153 0.000 0.695 372 A CB 0.610 19.538 19.000 -0.120 0.000 1.290 372 A HN 0.067 nan 8.150 nan 0.000 0.419 373 D N 0.765 121.050 120.400 -0.192 0.000 2.423 373 D HA 0.293 4.667 4.640 -0.445 0.000 0.238 373 D C 1.217 177.134 176.300 -0.639 0.000 1.142 373 D CA 1.248 55.078 54.000 -0.283 0.000 0.884 373 D CB 1.254 41.957 40.800 -0.163 0.000 1.199 373 D HN 0.659 nan 8.370 nan 0.000 0.438 374 T N -0.899 113.218 114.554 -0.730 0.000 3.286 374 T HA 0.281 4.364 4.350 -0.445 0.000 0.237 374 T C 0.879 174.753 174.700 -1.377 0.000 0.969 374 T CA -0.133 61.156 62.100 -1.352 0.000 1.298 374 T CB -0.095 68.358 68.868 -0.692 0.000 1.053 374 T HN 0.359 nan 8.240 nan 0.000 0.402 375 G N 1.491 109.992 108.800 -0.499 0.000 2.530 375 G HA2 0.610 4.303 3.960 -0.445 0.000 0.316 375 G HA3 0.610 4.303 3.960 -0.445 0.000 0.316 375 G C -1.297 173.628 174.900 0.043 0.000 1.298 375 G CA -0.675 44.363 45.100 -0.104 0.000 0.948 375 G HN 0.348 nan 8.290 nan 0.000 0.486 376 E N 0.838 121.179 120.200 0.234 0.000 2.374 376 E HA 0.283 4.366 4.350 -0.445 0.000 0.260 376 E C 0.479 177.249 176.600 0.283 0.000 1.101 376 E CA -0.486 56.055 56.400 0.235 0.000 0.907 376 E CB 1.275 31.136 29.700 0.268 0.000 1.014 376 E HN 0.247 nan 8.360 nan 0.000 0.427 377 I N 2.236 122.917 120.570 0.185 0.000 2.471 377 I HA 0.127 4.030 4.170 -0.445 0.000 0.286 377 I C -0.148 176.144 176.117 0.291 0.000 1.079 377 I CA 0.211 61.638 61.300 0.212 0.000 1.398 377 I CB -0.700 37.370 38.000 0.117 0.000 1.403 377 I HN 0.394 nan 8.210 nan 0.000 0.530 378 F N 6.690 126.710 119.950 0.117 0.000 2.443 378 F HA 0.581 4.842 4.527 -0.443 0.000 0.335 378 F C -0.066 175.828 175.800 0.156 0.000 1.104 378 F CA -0.329 57.715 58.000 0.074 0.000 1.013 378 F CB 1.581 40.563 39.000 -0.031 0.000 1.136 378 F HN 0.513 nan 8.300 nan 0.000 0.470 379 W N 2.399 123.684 121.300 -0.024 0.000 3.153 379 W HA 0.757 5.150 4.660 -0.446 0.000 0.316 379 W C -1.010 175.445 176.519 -0.106 0.000 1.255 379 W CA -1.595 55.703 57.345 -0.079 0.000 1.192 379 W CB 0.927 30.294 29.460 -0.154 0.000 1.400 379 W HN 0.864 nan 8.180 nan 0.000 0.568 380 G N 0.897 109.691 108.800 -0.010 0.000 2.320 380 G HA2 0.452 4.145 3.960 -0.445 0.000 0.296 380 G HA3 0.452 4.145 3.960 -0.445 0.000 0.296 380 G C -1.973 173.035 174.900 0.181 0.000 1.306 380 G CA -0.801 44.237 45.100 -0.103 0.000 0.836 380 G HN 0.470 nan 8.290 nan 0.000 0.517 381 E N -0.024 120.350 120.200 0.290 0.000 2.390 381 E HA 0.471 4.554 4.350 -0.445 0.000 0.277 381 E C -2.700 173.961 176.600 0.103 0.000 0.939 381 E CA -1.391 55.149 56.400 0.233 0.000 0.769 381 E CB 3.017 32.920 29.700 0.338 0.000 1.251 381 E HN 0.378 nan 8.360 nan 0.000 0.450 382 P HA 0.025 nan 4.420 nan 0.000 0.267 382 P C 0.157 177.308 177.300 -0.247 0.000 1.200 382 P CA -0.049 63.016 63.100 -0.058 0.000 0.772 382 P CB 0.402 32.083 31.700 -0.031 0.000 0.855 383 G N 0.649 109.129 108.800 -0.533 0.000 2.406 383 G HA2 0.295 3.988 3.960 -0.445 0.000 0.251 383 G HA3 0.295 3.988 3.960 -0.445 0.000 0.251 383 G C 0.452 174.823 174.900 -0.882 0.000 1.271 383 G CA 0.176 44.490 45.100 -1.310 0.000 0.859 383 G HN 0.589 nan 8.290 nan 0.000 0.540 384 T N 1.355 115.490 114.554 -0.699 0.000 5.979 384 T HA -0.218 3.865 4.350 -0.445 0.000 0.273 384 T C 1.597 176.207 174.700 -0.150 0.000 2.195 384 T CA 1.559 63.463 62.100 -0.327 0.000 3.693 384 T CB -1.104 67.689 68.868 -0.126 0.000 0.944 384 T HN 0.589 nan 8.240 nan 0.000 1.117 385 N N 0.295 118.859 118.700 -0.228 0.000 2.420 385 N HA 0.258 4.731 4.740 -0.445 0.000 0.185 385 N C 2.134 177.484 175.510 -0.266 0.000 1.033 385 N CA 1.353 54.327 53.050 -0.126 0.000 0.879 385 N CB -0.870 37.570 38.487 -0.079 0.000 1.071 385 N HN 0.443 nan 8.380 nan 0.000 0.437 386 G N 0.929 109.486 108.800 -0.405 0.000 2.442 386 G HA2 -0.294 3.399 3.960 -0.445 0.000 0.219 386 G HA3 -0.294 3.399 3.960 -0.445 0.000 0.219 386 G C 1.414 175.637 174.900 -1.129 0.000 1.141 386 G CA 0.703 45.329 45.100 -0.791 0.000 0.763 386 G HN 0.324 nan 8.290 nan 0.000 0.554 387 Q N -0.527 118.464 119.800 -1.349 0.000 2.112 387 Q HA -0.187 3.886 4.340 -0.445 0.000 0.206 387 Q C 2.029 177.449 176.000 -0.968 0.000 0.987 387 Q CA 1.453 56.158 55.803 -1.829 0.000 0.858 387 Q CB -0.106 27.851 28.738 -1.303 0.000 0.905 387 Q HN 0.648 nan 8.270 nan 0.000 0.420 388 H N -2.082 116.722 119.070 -0.443 0.000 2.539 388 H HA 0.209 4.498 4.556 -0.445 0.000 0.267 388 H C 1.042 176.276 175.328 -0.156 0.000 0.982 388 H CA 0.721 56.636 56.048 -0.222 0.000 1.146 388 H CB 0.577 30.243 29.762 -0.160 0.000 1.382 388 H HN 0.334 nan 8.280 nan 0.000 0.577 389 A N 0.609 123.334 122.820 -0.160 0.000 1.969 389 A HA 0.104 4.157 4.320 -0.445 0.000 0.205 389 A C 1.240 178.895 177.584 0.119 0.000 1.364 389 A CA 0.372 52.397 52.037 -0.020 0.000 0.756 389 A CB -0.078 18.931 19.000 0.015 0.000 0.988 389 A HN 0.282 nan 8.150 nan 0.000 0.490 390 F N -4.735 115.344 119.950 0.215 0.000 2.915 390 F HA 0.465 4.725 4.527 -0.445 0.000 0.347 390 F C 0.928 176.921 175.800 0.323 0.000 1.104 390 F CA -0.949 57.202 58.000 0.251 0.000 1.126 390 F CB -0.186 38.980 39.000 0.277 0.000 1.145 390 F HN 0.012 nan 8.300 nan 0.000 0.541 391 Y N 1.715 122.039 120.300 0.039 0.000 2.421 391 Y HA -0.113 4.169 4.550 -0.445 0.000 0.292 391 Y C 2.693 178.685 175.900 0.152 0.000 1.136 391 Y CA 1.359 59.504 58.100 0.075 0.000 1.255 391 Y CB -0.852 37.606 38.460 -0.003 0.000 0.991 391 Y HN 0.329 nan 8.280 nan 0.000 0.552 392 Q N 0.785 120.778 119.800 0.321 0.000 2.096 392 Q HA -0.233 3.840 4.340 -0.445 0.000 0.208 392 Q C 2.195 178.326 176.000 0.218 0.000 0.993 392 Q CA 2.114 58.068 55.803 0.253 0.000 0.862 392 Q CB -0.822 28.024 28.738 0.180 0.000 0.915 392 Q HN 0.619 nan 8.270 nan 0.000 0.416 393 L N -0.999 120.349 121.223 0.209 0.000 2.072 393 L HA -0.098 3.975 4.340 -0.445 0.000 0.205 393 L C 1.832 178.771 176.870 0.115 0.000 1.079 393 L CA 0.672 55.603 54.840 0.151 0.000 0.752 393 L CB -0.257 41.885 42.059 0.138 0.000 0.906 393 L HN 0.306 nan 8.230 nan 0.000 0.436 394 L N -0.196 121.088 121.223 0.102 0.000 2.043 394 L HA -0.280 3.793 4.340 -0.445 0.000 0.212 394 L C 2.672 179.476 176.870 -0.110 0.000 1.075 394 L CA 1.799 56.600 54.840 -0.064 0.000 0.752 394 L CB -1.301 40.601 42.059 -0.261 0.000 0.891 394 L HN 0.385 nan 8.230 nan 0.000 0.432 395 H N -1.187 117.926 119.070 0.072 0.000 2.317 395 H HA 0.062 4.351 4.556 -0.445 0.000 0.304 395 H C 1.572 176.933 175.328 0.054 0.000 1.067 395 H CA 1.264 57.346 56.048 0.056 0.000 1.352 395 H CB 0.194 30.003 29.762 0.078 0.000 1.398 395 H HN 0.444 nan 8.280 nan 0.000 0.510 396 Q N 0.286 120.203 119.800 0.194 0.000 2.194 396 Q HA 0.214 4.287 4.340 -0.445 0.000 0.214 396 Q C 0.860 176.918 176.000 0.096 0.000 0.838 396 Q CA -0.307 55.575 55.803 0.132 0.000 0.972 396 Q CB 1.486 30.300 28.738 0.126 0.000 1.131 396 Q HN 0.240 nan 8.270 nan 0.000 0.498 397 G N -0.454 108.398 108.800 0.087 0.000 2.553 397 G HA2 0.068 3.761 3.960 -0.445 0.000 0.278 397 G HA3 0.068 3.761 3.960 -0.445 0.000 0.278 397 G C 0.294 175.223 174.900 0.047 0.000 1.349 397 G CA -0.014 45.123 45.100 0.062 0.000 1.037 397 G HN 0.028 nan 8.290 nan 0.000 0.508 398 T N 0.028 114.603 114.554 0.034 0.000 3.040 398 T HA 0.227 4.310 4.350 -0.445 0.000 0.266 398 T C 0.366 175.080 174.700 0.024 0.000 1.005 398 T CA -0.269 61.849 62.100 0.030 0.000 0.906 398 T CB -0.118 68.765 68.868 0.025 0.000 1.082 398 T HN 0.208 nan 8.240 nan 0.000 0.531 399 R N 1.582 122.093 120.500 0.017 0.000 2.460 399 R HA 0.461 4.534 4.340 -0.445 0.000 0.303 399 R C -0.778 175.521 176.300 -0.001 0.000 0.968 399 R CA -1.000 55.106 56.100 0.009 0.000 0.889 399 R CB 1.186 31.486 30.300 0.001 0.000 1.123 399 R HN 0.136 nan 8.270 nan 0.000 0.455 400 L N 3.075 124.293 121.223 -0.007 0.000 2.315 400 L HA 0.233 4.306 4.340 -0.445 0.000 0.283 400 L C -0.721 176.098 176.870 -0.084 0.000 1.089 400 L CA -0.049 54.756 54.840 -0.059 0.000 0.833 400 L CB 0.940 42.975 42.059 -0.041 0.000 1.170 400 L HN 0.353 nan 8.230 nan 0.000 0.442 401 V N 7.140 126.982 119.914 -0.120 0.000 2.320 401 V HA 0.342 4.195 4.120 -0.445 0.000 0.268 401 V C -2.120 173.838 176.094 -0.225 0.000 1.021 401 V CA -1.408 60.825 62.300 -0.111 0.000 0.813 401 V CB 0.753 32.581 31.823 0.008 0.000 1.054 401 V HN 0.694 nan 8.190 nan 0.000 0.444 402 P HA 0.222 nan 4.420 nan 0.000 0.264 402 P C -0.295 176.880 177.300 -0.208 0.000 1.183 402 P CA 0.594 63.507 63.100 -0.313 0.000 0.763 402 P CB 0.659 32.185 31.700 -0.289 0.000 0.807 403 A N 2.502 125.241 122.820 -0.135 0.000 2.355 403 A HA 0.501 4.555 4.320 -0.445 0.000 0.317 403 A C -0.938 176.667 177.584 0.035 0.000 1.094 403 A CA -0.544 51.417 52.037 -0.126 0.000 0.764 403 A CB 0.833 19.770 19.000 -0.105 0.000 1.230 403 A HN 0.365 nan 8.150 nan 0.000 0.448 404 D N 1.763 122.162 120.400 -0.003 0.000 2.373 404 D HA 0.471 4.844 4.640 -0.445 0.000 0.227 404 D C -1.140 175.211 176.300 0.086 0.000 1.091 404 D CA 0.409 54.499 54.000 0.149 0.000 0.840 404 D CB 0.588 41.547 40.800 0.264 0.000 1.060 404 D HN 0.272 nan 8.370 nan 0.000 0.502 405 F N 2.139 122.102 119.950 0.022 0.000 2.411 405 F HA 0.382 4.642 4.527 -0.444 0.000 0.355 405 F C 0.733 176.696 175.800 0.272 0.000 1.117 405 F CA -0.564 57.472 58.000 0.060 0.000 1.139 405 F CB 0.684 39.452 39.000 -0.387 0.000 1.120 405 F HN 0.108 nan 8.300 nan 0.000 0.493 406 I N 3.012 123.836 120.570 0.424 0.000 2.404 406 I HA 0.707 4.610 4.170 -0.445 0.000 0.293 406 I C 0.324 176.401 176.117 -0.066 0.000 0.992 406 I CA -0.456 60.947 61.300 0.171 0.000 1.149 406 I CB 1.643 39.642 38.000 -0.001 0.000 1.315 406 I HN 0.669 nan 8.210 nan 0.000 0.446 407 G N 4.908 113.349 108.800 -0.598 0.000 2.690 407 G HA2 0.764 4.457 3.960 -0.445 0.000 0.291 407 G HA3 0.764 4.457 3.960 -0.445 0.000 0.291 407 G C -1.689 172.554 174.900 -1.095 0.000 1.403 407 G CA -0.459 43.995 45.100 -1.077 0.000 0.864 407 G HN 0.315 nan 8.290 nan 0.000 0.480 408 F N 0.434 120.241 119.950 -0.239 0.000 2.493 408 F HA 0.585 4.845 4.527 -0.445 0.000 0.329 408 F C 1.170 176.989 175.800 0.031 0.000 1.126 408 F CA -0.378 57.581 58.000 -0.069 0.000 0.937 408 F CB 2.346 41.333 39.000 -0.023 0.000 1.146 408 F HN 0.647 nan 8.300 nan 0.000 0.442 409 A N 2.488 125.414 122.820 0.177 0.000 1.841 409 A HA -0.069 3.984 4.320 -0.445 0.000 0.214 409 A C 0.767 178.465 177.584 0.190 0.000 1.195 409 A CA 1.017 53.167 52.037 0.189 0.000 0.611 409 A CB -0.448 18.621 19.000 0.116 0.000 0.835 409 A HN 0.778 nan 8.150 nan 0.000 0.443 410 Q N 0.623 120.451 119.800 0.047 0.000 2.256 410 Q HA 0.398 4.471 4.340 -0.445 0.000 0.254 410 Q C -2.522 173.273 176.000 -0.341 0.000 0.916 410 Q CA -2.285 53.446 55.803 -0.120 0.000 0.932 410 Q CB 1.312 30.010 28.738 -0.066 0.000 1.207 410 Q HN 0.368 nan 8.270 nan 0.000 0.426 411 P HA 0.075 nan 4.420 nan 0.000 0.279 411 P C -0.184 176.884 177.300 -0.388 0.000 1.252 411 P CA -0.450 62.256 63.100 -0.656 0.000 0.811 411 P CB 1.091 32.349 31.700 -0.736 0.000 1.035 412 L N 0.156 121.136 121.223 -0.404 0.000 2.095 412 L HA 0.192 4.265 4.340 -0.445 0.000 0.204 412 L C 0.885 177.502 176.870 -0.423 0.000 1.080 412 L CA 1.973 56.483 54.840 -0.549 0.000 0.759 412 L CB -0.926 40.597 42.059 -0.894 0.000 0.914 412 L HN 0.392 nan 8.230 nan 0.000 0.439 413 D N -1.920 118.308 120.400 -0.287 0.000 2.661 413 D HA 0.375 4.748 4.640 -0.445 0.000 0.228 413 D C -1.264 174.973 176.300 -0.106 0.000 1.183 413 D CA -0.384 53.529 54.000 -0.145 0.000 0.844 413 D CB 2.783 43.536 40.800 -0.078 0.000 1.555 413 D HN -0.167 nan 8.370 nan 0.000 0.453 414 D N 0.313 120.676 120.400 -0.061 0.000 2.570 414 D HA 0.625 4.998 4.640 -0.445 0.000 0.244 414 D C -1.455 174.842 176.300 -0.006 0.000 1.178 414 D CA -0.388 53.598 54.000 -0.024 0.000 0.881 414 D CB 1.694 42.480 40.800 -0.022 0.000 1.453 414 D HN 0.040 nan 8.370 nan 0.000 0.447 415 L N 1.640 122.870 121.223 0.013 0.000 2.393 415 L HA 0.587 4.660 4.340 -0.445 0.000 0.260 415 L C -2.266 174.616 176.870 0.020 0.000 1.002 415 L CA -1.974 52.873 54.840 0.012 0.000 0.818 415 L CB 1.810 43.876 42.059 0.011 0.000 1.369 415 L HN 0.242 nan 8.230 nan 0.000 0.412 416 P HA 0.305 nan 4.420 nan 0.000 0.274 416 P C -0.283 177.028 177.300 0.019 0.000 1.246 416 P CA -0.424 62.687 63.100 0.017 0.000 0.795 416 P CB 0.314 32.021 31.700 0.012 0.000 1.006 417 T N -1.988 112.578 114.554 0.020 0.000 2.681 417 T HA 0.232 4.315 4.350 -0.445 0.000 0.333 417 T C 1.371 176.078 174.700 0.013 0.000 1.049 417 T CA 0.252 62.364 62.100 0.019 0.000 1.002 417 T CB -0.420 68.461 68.868 0.021 0.000 1.161 417 T HN 0.319 nan 8.240 nan 0.000 0.519 418 A N 0.330 123.157 122.820 0.011 0.000 2.168 418 A HA 0.044 4.097 4.320 -0.445 0.000 0.215 418 A C 2.064 179.652 177.584 0.007 0.000 1.152 418 A CA 0.773 52.814 52.037 0.007 0.000 0.716 418 A CB -0.608 18.395 19.000 0.006 0.000 0.794 418 A HN 0.869 nan 8.150 nan 0.000 0.465 419 E N -1.073 119.132 120.200 0.008 0.000 2.474 419 E HA 0.242 4.325 4.350 -0.445 0.000 0.195 419 E C 1.011 177.615 176.600 0.007 0.000 1.039 419 E CA 0.618 57.022 56.400 0.007 0.000 0.881 419 E CB -0.575 29.129 29.700 0.008 0.000 0.970 419 E HN 0.863 nan 8.360 nan 0.000 0.486 420 G N 1.628 110.433 108.800 0.008 0.000 2.143 420 G HA2 -0.282 3.411 3.960 -0.445 0.000 0.249 420 G HA3 -0.282 3.411 3.960 -0.445 0.000 0.249 420 G C 0.371 175.276 174.900 0.008 0.000 0.981 420 G CA 0.746 45.850 45.100 0.007 0.000 0.665 420 G HN 0.620 nan 8.290 nan 0.000 0.528 421 T N -3.154 111.407 114.554 0.010 0.000 2.858 421 T HA 0.960 5.043 4.350 -0.445 0.000 0.285 421 T C 1.263 175.973 174.700 0.017 0.000 1.052 421 T CA 0.545 62.652 62.100 0.012 0.000 1.009 421 T CB 2.012 70.886 68.868 0.011 0.000 1.241 421 T HN 2.164 nan 8.240 nan 0.000 0.542 422 G N 0.596 109.408 108.800 0.019 0.000 2.552 422 G HA2 0.101 3.794 3.960 -0.445 0.000 0.265 422 G HA3 0.101 3.794 3.960 -0.445 0.000 0.265 422 G C -0.037 174.883 174.900 0.033 0.000 1.234 422 G CA 0.218 45.334 45.100 0.027 0.000 0.944 422 G HN 1.962 nan 8.290 nan 0.000 0.568 423 S N -1.420 114.306 115.700 0.044 0.000 2.603 423 S HA 0.569 4.772 4.470 -0.445 0.000 0.274 423 S C 1.102 175.743 174.600 0.067 0.000 1.168 423 S CA 0.502 58.739 58.200 0.060 0.000 0.963 423 S CB 1.278 64.527 63.200 0.082 0.000 1.078 423 S HN 0.706 nan 8.310 nan 0.000 0.477 424 M N 3.204 122.844 119.600 0.067 0.000 2.159 424 M HA -0.076 4.137 4.480 -0.445 0.000 0.263 424 M C 2.034 178.384 176.300 0.082 0.000 1.063 424 M CA 1.343 56.680 55.300 0.062 0.000 1.110 424 M CB -0.514 32.116 32.600 0.051 0.000 1.374 424 M HN 0.883 nan 8.290 nan 0.000 0.411 425 H N 0.635 119.717 119.070 0.021 0.000 2.352 425 H HA -0.174 4.115 4.556 -0.445 0.000 0.299 425 H C 1.201 176.555 175.328 0.044 0.000 1.097 425 H CA 1.708 57.772 56.048 0.026 0.000 1.311 425 H CB 0.048 29.816 29.762 0.010 0.000 1.377 425 H HN 0.338 nan 8.280 nan 0.000 0.504 426 D N 0.612 121.050 120.400 0.064 0.000 2.178 426 D HA -0.108 4.265 4.640 -0.445 0.000 0.202 426 D C 2.575 178.886 176.300 0.018 0.000 0.974 426 D CA 0.371 54.395 54.000 0.040 0.000 0.841 426 D CB -0.035 40.816 40.800 0.086 0.000 0.953 426 D HN 0.414 nan 8.370 nan 0.000 0.478 427 L N 0.560 121.796 121.223 0.023 0.000 2.017 427 L HA -0.141 3.932 4.340 -0.445 0.000 0.208 427 L C 2.634 179.520 176.870 0.026 0.000 1.073 427 L CA 0.662 55.522 54.840 0.033 0.000 0.745 427 L CB -0.436 41.646 42.059 0.037 0.000 0.894 427 L HN 0.102 nan 8.230 nan 0.000 0.432 428 L N -0.515 120.701 121.223 -0.012 0.000 1.990 428 L HA -0.279 3.794 4.340 -0.445 0.000 0.213 428 L C 2.679 179.553 176.870 0.008 0.000 1.072 428 L CA 1.750 56.597 54.840 0.012 0.000 0.755 428 L CB -0.144 41.868 42.059 -0.079 0.000 0.889 428 L HN 0.358 nan 8.230 nan 0.000 0.432 429 M N -0.575 118.930 119.600 -0.159 0.000 2.394 429 M HA -0.093 4.120 4.480 -0.445 0.000 0.264 429 M C 2.528 178.779 176.300 -0.082 0.000 1.073 429 M CA 1.476 56.631 55.300 -0.241 0.000 1.111 429 M CB -1.278 31.148 32.600 -0.289 0.000 1.401 429 M HN 0.440 nan 8.290 nan 0.000 0.448 430 S N 0.581 116.324 115.700 0.071 0.000 2.399 430 S HA -0.145 4.058 4.470 -0.445 0.000 0.231 430 S C 1.609 176.269 174.600 0.099 0.000 1.022 430 S CA 1.632 59.926 58.200 0.156 0.000 0.983 430 S CB -0.738 62.531 63.200 0.115 0.000 0.803 430 S HN 0.492 nan 8.310 nan 0.000 0.480 431 N N 0.946 119.689 118.700 0.072 0.000 2.142 431 N HA 0.083 4.556 4.740 -0.445 0.000 0.186 431 N C 1.364 176.839 175.510 -0.057 0.000 1.023 431 N CA 1.260 54.364 53.050 0.091 0.000 0.852 431 N CB -0.500 38.127 38.487 0.233 0.000 0.998 431 N HN 0.463 nan 8.380 nan 0.000 0.424 432 F N 0.568 120.239 119.950 -0.465 0.000 2.126 432 F HA -0.183 4.077 4.527 -0.445 0.000 0.299 432 F C 1.338 176.734 175.800 -0.674 0.000 1.096 432 F CA 1.487 58.938 58.000 -0.916 0.000 1.255 432 F CB -0.177 38.181 39.000 -1.071 0.000 0.997 432 F HN -0.048 nan 8.300 nan 0.000 0.479 433 F N 0.156 120.020 119.950 -0.144 0.000 2.234 433 F HA 0.126 4.386 4.527 -0.445 0.000 0.296 433 F C 2.518 178.177 175.800 -0.235 0.000 1.089 433 F CA 0.812 58.686 58.000 -0.209 0.000 1.343 433 F CB -1.564 37.418 39.000 -0.030 0.000 1.040 433 F HN 0.039 nan 8.300 nan 0.000 0.498 434 A N -0.291 122.535 122.820 0.011 0.000 1.898 434 A HA -0.142 3.911 4.320 -0.445 0.000 0.216 434 A C 2.235 179.778 177.584 -0.069 0.000 1.181 434 A CA 1.128 53.162 52.037 -0.005 0.000 0.620 434 A CB -0.543 18.478 19.000 0.034 0.000 0.819 434 A HN 0.243 nan 8.150 nan 0.000 0.442 435 Q N -0.112 119.616 119.800 -0.119 0.000 2.050 435 Q HA -0.164 3.909 4.340 -0.445 0.000 0.202 435 Q C 2.443 178.274 176.000 -0.281 0.000 0.980 435 Q CA 2.377 58.150 55.803 -0.051 0.000 0.840 435 Q CB -1.142 27.699 28.738 0.171 0.000 0.898 435 Q HN 0.873 nan 8.270 nan 0.000 0.424 436 T N -1.473 112.665 114.554 -0.692 0.000 2.788 436 T HA -0.210 3.873 4.350 -0.445 0.000 0.268 436 T C 1.855 176.324 174.700 -0.385 0.000 1.044 436 T CA 1.520 63.196 62.100 -0.707 0.000 1.139 436 T CB -0.195 68.151 68.868 -0.870 0.000 0.867 436 T HN 0.283 nan 8.240 nan 0.000 0.454 437 Q N 0.495 120.157 119.800 -0.230 0.000 2.050 437 Q HA -0.084 3.989 4.340 -0.445 0.000 0.202 437 Q C 2.397 178.393 176.000 -0.006 0.000 0.980 437 Q CA 1.665 57.439 55.803 -0.048 0.000 0.840 437 Q CB -0.276 28.482 28.738 0.034 0.000 0.898 437 Q HN 0.486 nan 8.270 nan 0.000 0.424 438 V N 0.988 120.899 119.914 -0.006 0.000 2.358 438 V HA -0.264 3.589 4.120 -0.445 0.000 0.246 438 V C 2.332 178.458 176.094 0.054 0.000 1.047 438 V CA 1.434 63.757 62.300 0.039 0.000 1.035 438 V CB -0.464 31.369 31.823 0.016 0.000 0.658 438 V HN 0.389 nan 8.190 nan 0.000 0.452 439 L N -0.068 121.177 121.223 0.036 0.000 2.046 439 L HA -0.185 3.888 4.340 -0.445 0.000 0.208 439 L C 2.694 179.449 176.870 -0.192 0.000 1.077 439 L CA 1.664 56.488 54.840 -0.027 0.000 0.747 439 L CB -0.723 41.238 42.059 -0.162 0.000 0.896 439 L HN 0.368 nan 8.230 nan 0.000 0.432 440 A N -0.254 122.317 122.820 -0.416 0.000 1.855 440 A HA -0.158 3.895 4.320 -0.445 0.000 0.215 440 A C 1.803 179.001 177.584 -0.643 0.000 1.191 440 A CA 1.698 53.276 52.037 -0.765 0.000 0.613 440 A CB -0.557 17.564 19.000 -1.464 0.000 0.829 440 A HN 0.373 nan 8.150 nan 0.000 0.442 441 F N -1.253 118.692 119.950 -0.008 0.000 2.694 441 F HA 0.421 4.682 4.527 -0.445 0.000 0.292 441 F C 1.768 177.650 175.800 0.137 0.000 1.121 441 F CA 0.120 58.181 58.000 0.102 0.000 1.352 441 F CB -0.637 38.356 39.000 -0.012 0.000 1.107 441 F HN 0.493 nan 8.300 nan 0.000 0.597 442 G N 1.270 110.189 108.800 0.199 0.000 2.575 442 G HA2 -0.295 3.398 3.960 -0.445 0.000 0.267 442 G HA3 -0.295 3.398 3.960 -0.445 0.000 0.267 442 G C -0.309 174.649 174.900 0.098 0.000 1.264 442 G CA 0.052 45.234 45.100 0.136 0.000 0.935 442 G HN 0.404 nan 8.290 nan 0.000 0.568 443 K N -0.259 120.177 120.400 0.060 0.000 2.571 443 K HA 0.549 4.602 4.320 -0.445 0.000 0.252 443 K C 0.278 176.885 176.600 0.011 0.000 0.956 443 K CA 0.032 56.334 56.287 0.026 0.000 0.822 443 K CB 1.251 33.757 32.500 0.009 0.000 1.286 443 K HN 1.119 nan 8.250 nan 0.000 0.439 444 T N 0.169 114.721 114.554 -0.005 0.000 2.847 444 T HA 0.394 4.477 4.350 -0.445 0.000 0.279 444 T C 1.415 176.108 174.700 -0.013 0.000 0.984 444 T CA -0.031 62.060 62.100 -0.015 0.000 0.988 444 T CB 1.526 70.377 68.868 -0.030 0.000 1.040 444 T HN 0.588 nan 8.240 nan 0.000 0.528 445 A N 0.220 123.031 122.820 -0.015 0.000 1.883 445 A HA -0.141 3.912 4.320 -0.445 0.000 0.217 445 A C 2.290 179.866 177.584 -0.013 0.000 1.186 445 A CA 2.114 54.143 52.037 -0.014 0.000 0.624 445 A CB -1.266 17.724 19.000 -0.016 0.000 0.822 445 A HN 1.062 nan 8.150 nan 0.000 0.444 446 E N -0.181 120.010 120.200 -0.015 0.000 2.077 446 E HA -0.246 3.838 4.350 -0.445 0.000 0.193 446 E C 1.841 178.433 176.600 -0.013 0.000 0.989 446 E CA 1.502 57.894 56.400 -0.014 0.000 0.800 446 E CB -0.180 29.511 29.700 -0.016 0.000 0.746 446 E HN 0.753 nan 8.360 nan 0.000 0.452 447 E N 0.019 120.210 120.200 -0.015 0.000 2.152 447 E HA -0.123 3.960 4.350 -0.445 0.000 0.192 447 E C 2.090 178.683 176.600 -0.012 0.000 0.983 447 E CA 0.966 57.357 56.400 -0.014 0.000 0.818 447 E CB 0.039 29.730 29.700 -0.015 0.000 0.758 447 E HN 0.381 nan 8.360 nan 0.000 0.467 448 I N 0.796 121.360 120.570 -0.011 0.000 2.333 448 I HA -0.182 3.721 4.170 -0.445 0.000 0.246 448 I C 2.437 178.548 176.117 -0.009 0.000 1.106 448 I CA 0.730 62.024 61.300 -0.010 0.000 1.411 448 I CB -0.152 37.842 38.000 -0.009 0.000 1.082 448 I HN 0.058 nan 8.210 nan 0.000 0.420 449 A N 0.739 123.554 122.820 -0.009 0.000 1.978 449 A HA -0.189 3.864 4.320 -0.445 0.000 0.220 449 A C 2.446 180.028 177.584 -0.005 0.000 1.170 449 A CA 1.856 53.889 52.037 -0.006 0.000 0.636 449 A CB -0.807 18.191 19.000 -0.003 0.000 0.810 449 A HN 0.432 nan 8.150 nan 0.000 0.448 450 A N -0.199 122.617 122.820 -0.007 0.000 2.121 450 A HA -0.128 3.925 4.320 -0.445 0.000 0.218 450 A C 1.821 179.401 177.584 -0.006 0.000 1.154 450 A CA 1.594 53.627 52.037 -0.007 0.000 0.679 450 A CB -0.430 18.564 19.000 -0.009 0.000 0.795 450 A HN 0.651 nan 8.150 nan 0.000 0.458 451 D N -0.832 119.564 120.400 -0.007 0.000 2.277 451 D HA 0.063 4.436 4.640 -0.445 0.000 0.208 451 D C 1.315 177.613 176.300 -0.005 0.000 0.962 451 D CA 1.534 55.530 54.000 -0.007 0.000 0.865 451 D CB -0.122 40.673 40.800 -0.008 0.000 0.939 451 D HN 0.602 nan 8.370 nan 0.000 0.510 452 G N 0.086 108.884 108.800 -0.004 0.000 2.184 452 G HA2 -0.209 3.484 3.960 -0.445 0.000 0.206 452 G HA3 -0.209 3.484 3.960 -0.445 0.000 0.206 452 G C 0.373 175.271 174.900 -0.002 0.000 0.995 452 G CA 0.256 45.356 45.100 -0.001 0.000 0.651 452 G HN 0.383 nan 8.290 nan 0.000 0.511 453 T N 3.150 117.698 114.554 -0.009 0.000 2.928 453 T HA 0.419 4.502 4.350 -0.445 0.000 0.305 453 T C -1.791 172.896 174.700 -0.021 0.000 1.035 453 T CA 0.007 62.095 62.100 -0.020 0.000 1.145 453 T CB 1.030 69.882 68.868 -0.026 0.000 0.963 453 T HN 0.148 nan 8.240 nan 0.000 0.545 454 P HA 0.138 nan 4.420 nan 0.000 0.264 454 P C 0.518 177.792 177.300 -0.043 0.000 1.183 454 P CA -0.134 62.957 63.100 -0.016 0.000 0.763 454 P CB 0.354 32.021 31.700 -0.055 0.000 0.807 455 A N 3.554 126.410 122.820 0.060 0.000 1.908 455 A HA -0.250 3.803 4.320 -0.445 0.000 0.218 455 A C 1.792 179.413 177.584 0.063 0.000 1.181 455 A CA 2.195 54.268 52.037 0.059 0.000 0.627 455 A CB -1.722 17.328 19.000 0.083 0.000 0.818 455 A HN 0.841 nan 8.150 nan 0.000 0.445 456 H N -2.569 116.524 119.070 0.039 0.000 2.547 456 H HA 0.225 4.514 4.556 -0.445 0.000 0.272 456 H C 1.205 176.600 175.328 0.112 0.000 0.989 456 H CA 0.944 57.027 56.048 0.058 0.000 1.214 456 H CB -0.206 29.589 29.762 0.055 0.000 1.389 456 H HN 0.158 nan 8.280 nan 0.000 0.577 457 V N 0.328 120.019 119.914 -0.372 0.000 3.174 457 V HA -0.096 3.757 4.120 -0.445 0.000 0.254 457 V C 2.339 178.435 176.094 0.004 0.000 1.120 457 V CA 0.643 62.849 62.300 -0.158 0.000 1.114 457 V CB 0.217 31.874 31.823 -0.277 0.000 0.756 457 V HN 0.336 nan 8.190 nan 0.000 0.467 458 V N 1.252 121.144 119.914 -0.036 0.000 2.250 458 V HA -0.372 3.481 4.120 -0.445 0.000 0.250 458 V C 2.819 178.899 176.094 -0.023 0.000 1.060 458 V CA 2.520 64.808 62.300 -0.020 0.000 1.030 458 V CB -1.166 30.646 31.823 -0.018 0.000 0.643 458 V HN 0.583 nan 8.190 nan 0.000 0.445 459 A N -0.964 121.813 122.820 -0.070 0.000 1.978 459 A HA -0.290 3.763 4.320 -0.445 0.000 0.220 459 A C 1.913 179.396 177.584 -0.167 0.000 1.170 459 A CA 2.304 54.254 52.037 -0.145 0.000 0.636 459 A CB -0.856 18.005 19.000 -0.231 0.000 0.810 459 A HN 0.778 nan 8.150 nan 0.000 0.448 460 H N -0.893 118.173 119.070 -0.007 0.000 2.529 460 H HA 0.089 4.378 4.556 -0.445 0.000 0.277 460 H C 1.749 177.077 175.328 0.001 0.000 0.999 460 H CA 1.324 57.372 56.048 -0.000 0.000 1.256 460 H CB 0.152 29.910 29.762 -0.007 0.000 1.402 460 H HN 0.451 nan 8.280 nan 0.000 0.566 461 K N 0.331 120.781 120.400 0.084 0.000 2.361 461 K HA 0.110 4.163 4.320 -0.445 0.000 0.194 461 K C -0.026 176.588 176.600 0.024 0.000 1.032 461 K CA -0.031 56.283 56.287 0.045 0.000 1.048 461 K CB 0.944 33.457 32.500 0.023 0.000 0.842 461 K HN -0.019 nan 8.250 nan 0.000 0.526 462 V N 3.297 123.220 119.914 0.015 0.000 2.617 462 V HA -0.080 3.773 4.120 -0.445 0.000 0.304 462 V C 0.369 176.481 176.094 0.029 0.000 1.040 462 V CA 0.809 63.116 62.300 0.012 0.000 1.149 462 V CB 0.442 32.265 31.823 -0.001 0.000 0.914 462 V HN 0.241 nan 8.190 nan 0.000 0.487 463 M N 8.424 128.044 119.600 0.032 0.000 2.036 463 M HA 0.291 4.504 4.480 -0.445 0.000 0.337 463 M C -1.610 174.741 176.300 0.085 0.000 1.012 463 M CA -2.015 53.318 55.300 0.055 0.000 0.962 463 M CB 1.377 33.993 32.600 0.026 0.000 1.423 463 M HN 0.368 nan 8.290 nan 0.000 0.405 464 P HA -0.039 nan 4.420 nan 0.000 0.222 464 P C 0.952 178.391 177.300 0.233 0.000 1.147 464 P CA 1.241 64.420 63.100 0.132 0.000 0.790 464 P CB 0.442 32.206 31.700 0.107 0.000 0.780 465 G N 0.785 109.689 108.800 0.174 0.000 2.575 465 G HA2 -0.347 3.346 3.960 -0.445 0.000 0.267 465 G HA3 -0.347 3.346 3.960 -0.445 0.000 0.267 465 G C 0.253 175.148 174.900 -0.009 0.000 1.264 465 G CA 0.322 45.501 45.100 0.131 0.000 0.935 465 G HN 0.383 nan 8.290 nan 0.000 0.568 466 N N -1.065 117.461 118.700 -0.289 0.000 2.741 466 N HA -0.174 4.299 4.740 -0.445 0.000 0.250 466 N C 0.223 175.610 175.510 -0.205 0.000 1.115 466 N CA 1.786 54.603 53.050 -0.388 0.000 0.724 466 N CB -0.603 37.682 38.487 -0.338 0.000 1.090 466 N HN 0.848 nan 8.380 nan 0.000 0.558 467 R N 0.452 120.827 120.500 -0.208 0.000 2.215 467 R HA 0.416 4.489 4.340 -0.445 0.000 0.336 467 R C -2.402 173.734 176.300 -0.275 0.000 0.996 467 R CA -1.359 54.615 56.100 -0.211 0.000 0.847 467 R CB 1.435 31.637 30.300 -0.164 0.000 1.127 467 R HN 0.172 nan 8.270 nan 0.000 0.465 468 P HA 0.192 nan 4.420 nan 0.000 0.282 468 P C -0.634 176.436 177.300 -0.383 0.000 1.259 468 P CA -0.429 62.460 63.100 -0.352 0.000 0.826 468 P CB 1.510 33.053 31.700 -0.262 0.000 1.064 469 S N -0.651 114.721 115.700 -0.547 0.000 2.550 469 S HA 0.528 4.731 4.470 -0.445 0.000 0.270 469 S C -0.838 173.520 174.600 -0.403 0.000 1.145 469 S CA -0.627 57.365 58.200 -0.347 0.000 0.852 469 S CB 0.943 64.027 63.200 -0.193 0.000 1.119 469 S HN 0.284 nan 8.310 nan 0.000 0.465 470 T N 2.427 116.998 114.554 0.028 0.000 2.829 470 T HA 0.642 4.725 4.350 -0.445 0.000 0.282 470 T C -0.385 174.395 174.700 0.134 0.000 0.990 470 T CA -0.415 61.799 62.100 0.189 0.000 1.028 470 T CB 1.314 70.378 68.868 0.326 0.000 0.951 470 T HN 0.623 nan 8.240 nan 0.000 0.460 471 S N 2.639 118.397 115.700 0.097 0.000 2.449 471 S HA 0.539 4.742 4.470 -0.445 0.000 0.310 471 S C -0.243 174.489 174.600 0.220 0.000 1.096 471 S CA -0.663 57.618 58.200 0.136 0.000 1.095 471 S CB 0.365 63.591 63.200 0.043 0.000 1.007 471 S HN 0.516 nan 8.310 nan 0.000 0.474 472 I N 3.835 124.572 120.570 0.279 0.000 2.354 472 I HA 0.315 4.218 4.170 -0.445 0.000 0.286 472 I C -0.943 175.273 176.117 0.164 0.000 1.007 472 I CA -0.689 60.719 61.300 0.181 0.000 1.167 472 I CB 1.282 39.348 38.000 0.110 0.000 1.320 472 I HN 0.339 nan 8.210 nan 0.000 0.458 473 L N 7.566 128.907 121.223 0.197 0.000 2.283 473 L HA 0.656 4.729 4.340 -0.445 0.000 0.281 473 L C 0.266 177.166 176.870 0.050 0.000 1.033 473 L CA -0.134 54.765 54.840 0.098 0.000 0.848 473 L CB 0.781 43.012 42.059 0.287 0.000 1.226 473 L HN 0.640 nan 8.230 nan 0.000 0.429 474 A N 2.818 125.574 122.820 -0.107 0.000 2.322 474 A HA 0.485 4.538 4.320 -0.445 0.000 0.269 474 A C 1.245 178.893 177.584 0.108 0.000 1.094 474 A CA 0.244 52.292 52.037 0.019 0.000 0.807 474 A CB 0.511 19.538 19.000 0.045 0.000 1.047 474 A HN 0.940 nan 8.150 nan 0.000 0.487 475 S N 1.175 116.952 115.700 0.129 0.000 2.382 475 S HA -0.029 4.174 4.470 -0.445 0.000 0.228 475 S C 0.854 175.538 174.600 0.141 0.000 1.027 475 S CA 1.309 59.576 58.200 0.112 0.000 0.991 475 S CB -0.115 63.133 63.200 0.080 0.000 0.823 475 S HN 0.874 nan 8.310 nan 0.000 0.469 476 R N -0.840 119.778 120.500 0.197 0.000 2.664 476 R HA 0.362 4.435 4.340 -0.445 0.000 0.260 476 R C -2.287 174.044 176.300 0.052 0.000 1.062 476 R CA -0.812 55.356 56.100 0.114 0.000 0.902 476 R CB 0.868 31.188 30.300 0.033 0.000 1.258 476 R HN 0.266 nan 8.270 nan 0.000 0.465 477 L N 4.011 125.051 121.223 -0.306 0.000 2.433 477 L HA 0.377 4.450 4.340 -0.445 0.000 0.284 477 L C -0.699 176.091 176.870 -0.134 0.000 1.120 477 L CA 0.789 55.300 54.840 -0.548 0.000 0.879 477 L CB 0.482 41.877 42.059 -1.107 0.000 1.232 477 L HN 0.742 nan 8.230 nan 0.000 0.454 478 T N 2.034 116.534 114.554 -0.089 0.000 2.901 478 T HA 0.595 4.678 4.350 -0.445 0.000 0.293 478 T C -2.173 172.384 174.700 -0.237 0.000 1.084 478 T CA -1.742 60.261 62.100 -0.161 0.000 1.008 478 T CB 1.574 70.393 68.868 -0.081 0.000 1.170 478 T HN 0.215 nan 8.240 nan 0.000 0.509 479 P HA -0.151 nan 4.420 nan 0.000 0.216 479 P C 1.874 179.207 177.300 0.055 0.000 1.153 479 P CA 1.459 64.443 63.100 -0.192 0.000 0.858 479 P CB -0.072 31.481 31.700 -0.245 0.000 0.789 480 S N -0.962 114.736 115.700 -0.003 0.000 2.356 480 S HA -0.138 4.065 4.470 -0.445 0.000 0.223 480 S C 1.970 176.570 174.600 0.001 0.000 1.032 480 S CA 1.511 59.725 58.200 0.024 0.000 1.005 480 S CB -1.188 62.023 63.200 0.019 0.000 0.867 480 S HN -0.129 nan 8.310 nan 0.000 0.449 481 V N 1.813 121.731 119.914 0.007 0.000 2.407 481 V HA -0.119 3.734 4.120 -0.445 0.000 0.248 481 V C 2.449 178.552 176.094 0.015 0.000 1.055 481 V CA 1.785 64.103 62.300 0.031 0.000 1.049 481 V CB -0.706 31.174 31.823 0.096 0.000 0.662 481 V HN 0.493 nan 8.190 nan 0.000 0.455 482 L N 1.149 122.385 121.223 0.021 0.000 2.017 482 L HA -0.038 4.035 4.340 -0.445 0.000 0.208 482 L C 2.398 179.236 176.870 -0.054 0.000 1.073 482 L CA 2.446 57.306 54.840 0.035 0.000 0.745 482 L CB -1.329 40.777 42.059 0.079 0.000 0.894 482 L HN 0.283 nan 8.230 nan 0.000 0.432 483 G N -1.553 107.153 108.800 -0.157 0.000 2.440 483 G HA2 -0.293 3.400 3.960 -0.445 0.000 0.218 483 G HA3 -0.293 3.400 3.960 -0.445 0.000 0.218 483 G C 1.431 175.825 174.900 -0.845 0.000 1.154 483 G CA 0.834 45.335 45.100 -0.998 0.000 0.767 483 G HN 0.554 nan 8.290 nan 0.000 0.552 484 Q N -0.212 119.390 119.800 -0.331 0.000 2.084 484 Q HA -0.011 4.062 4.340 -0.445 0.000 0.202 484 Q C 2.653 178.579 176.000 -0.123 0.000 0.978 484 Q CA 1.068 56.766 55.803 -0.175 0.000 0.844 484 Q CB -0.291 28.409 28.738 -0.064 0.000 0.898 484 Q HN 0.460 nan 8.270 nan 0.000 0.426 485 L N 0.197 121.380 121.223 -0.066 0.000 2.017 485 L HA -0.197 3.876 4.340 -0.445 0.000 0.208 485 L C 2.338 179.357 176.870 0.247 0.000 1.073 485 L CA 1.023 55.922 54.840 0.098 0.000 0.745 485 L CB -0.453 41.633 42.059 0.046 0.000 0.894 485 L HN 0.234 nan 8.230 nan 0.000 0.432 486 I N 0.054 120.680 120.570 0.093 0.000 2.163 486 I HA -0.323 3.580 4.170 -0.445 0.000 0.243 486 I C 2.833 179.005 176.117 0.091 0.000 1.085 486 I CA 1.350 62.741 61.300 0.152 0.000 1.347 486 I CB -0.574 37.437 38.000 0.017 0.000 1.044 486 I HN 0.222 nan 8.210 nan 0.000 0.408 487 A N 0.686 123.432 122.820 -0.124 0.000 1.933 487 A HA -0.222 3.831 4.320 -0.445 0.000 0.218 487 A C 2.272 179.767 177.584 -0.148 0.000 1.175 487 A CA 1.549 53.542 52.037 -0.075 0.000 0.628 487 A CB -0.837 18.179 19.000 0.027 0.000 0.814 487 A HN 0.398 nan 8.150 nan 0.000 0.444 488 L N -1.486 119.715 121.223 -0.037 0.000 2.043 488 L HA -0.199 3.874 4.340 -0.445 0.000 0.212 488 L C 2.279 179.066 176.870 -0.138 0.000 1.075 488 L CA 2.090 56.888 54.840 -0.071 0.000 0.752 488 L CB -0.757 41.243 42.059 -0.098 0.000 0.891 488 L HN 0.489 nan 8.230 nan 0.000 0.432 489 Y N -0.094 120.215 120.300 0.015 0.000 2.286 489 Y HA -0.127 4.156 4.550 -0.445 0.000 0.293 489 Y C 2.518 178.394 175.900 -0.039 0.000 1.124 489 Y CA 1.441 59.548 58.100 0.011 0.000 1.178 489 Y CB -0.215 38.262 38.460 0.028 0.000 1.010 489 Y HN 0.282 nan 8.280 nan 0.000 0.536 490 E N -0.653 119.587 120.200 0.068 0.000 2.130 490 E HA -0.249 3.834 4.350 -0.445 0.000 0.196 490 E C 1.663 178.297 176.600 0.056 0.000 0.998 490 E CA 1.523 57.964 56.400 0.069 0.000 0.806 490 E CB -0.177 29.555 29.700 0.052 0.000 0.738 490 E HN 0.603 nan 8.360 nan 0.000 0.459 491 H N 0.187 119.246 119.070 -0.017 0.000 2.482 491 H HA 0.052 4.341 4.556 -0.445 0.000 0.286 491 H C 1.980 177.208 175.328 -0.167 0.000 1.017 491 H CA 0.652 56.508 56.048 -0.320 0.000 1.322 491 H CB 0.009 29.161 29.762 -1.016 0.000 1.426 491 H HN 0.251 nan 8.280 nan 0.000 0.546 492 Q N 0.310 120.110 119.800 0.001 0.000 2.050 492 Q HA -0.097 3.976 4.340 -0.445 0.000 0.202 492 Q C 2.470 178.523 176.000 0.089 0.000 0.980 492 Q CA 1.475 57.294 55.803 0.027 0.000 0.840 492 Q CB -0.049 28.689 28.738 -0.001 0.000 0.898 492 Q HN 0.163 nan 8.270 nan 0.000 0.424 493 V N 0.756 120.739 119.914 0.114 0.000 2.324 493 V HA -0.280 3.573 4.120 -0.445 0.000 0.250 493 V C 1.926 178.103 176.094 0.138 0.000 1.060 493 V CA 1.994 64.359 62.300 0.108 0.000 1.042 493 V CB -0.611 31.264 31.823 0.087 0.000 0.650 493 V HN 0.337 nan 8.190 nan 0.000 0.450 494 F N 1.551 121.567 119.950 0.109 0.000 2.102 494 F HA -0.255 4.005 4.527 -0.446 0.000 0.298 494 F C 2.781 178.655 175.800 0.124 0.000 1.105 494 F CA 2.311 60.419 58.000 0.180 0.000 1.239 494 F CB -0.574 38.628 39.000 0.336 0.000 0.991 494 F HN 0.297 nan 8.300 nan 0.000 0.474 495 T N -1.813 112.887 114.554 0.244 0.000 2.777 495 T HA -0.189 3.894 4.350 -0.445 0.000 0.266 495 T C 1.736 176.336 174.700 -0.168 0.000 1.040 495 T CA 1.683 63.840 62.100 0.095 0.000 1.141 495 T CB -0.676 68.292 68.868 0.167 0.000 0.868 495 T HN 0.519 nan 8.240 nan 0.000 0.444 496 E N 0.850 120.906 120.200 -0.239 0.000 2.077 496 E HA -0.001 4.082 4.350 -0.445 0.000 0.193 496 E C 2.543 178.725 176.600 -0.697 0.000 0.989 496 E CA 0.909 56.913 56.400 -0.661 0.000 0.800 496 E CB -0.635 28.699 29.700 -0.611 0.000 0.746 496 E HN 0.711 nan 8.360 nan 0.000 0.452 497 G N 1.284 109.946 108.800 -0.231 0.000 2.433 497 G HA2 -0.253 3.440 3.960 -0.445 0.000 0.216 497 G HA3 -0.253 3.440 3.960 -0.445 0.000 0.216 497 G C 1.781 176.615 174.900 -0.110 0.000 1.186 497 G CA 0.849 45.928 45.100 -0.035 0.000 0.779 497 G HN 0.121 nan 8.290 nan 0.000 0.543 498 V N 0.543 120.286 119.914 -0.285 0.000 2.287 498 V HA -0.200 3.653 4.120 -0.445 0.000 0.248 498 V C 3.077 179.111 176.094 -0.099 0.000 1.053 498 V CA 1.630 63.800 62.300 -0.218 0.000 1.027 498 V CB -0.539 31.099 31.823 -0.308 0.000 0.646 498 V HN 0.246 nan 8.190 nan 0.000 0.447 499 V N -1.254 118.556 119.914 -0.172 0.000 2.324 499 V HA -0.277 3.576 4.120 -0.445 0.000 0.250 499 V C 2.205 178.289 176.094 -0.017 0.000 1.060 499 V CA 2.068 64.289 62.300 -0.130 0.000 1.042 499 V CB -0.686 30.987 31.823 -0.250 0.000 0.650 499 V HN 0.655 nan 8.190 nan 0.000 0.450 500 W N -0.215 121.123 121.300 0.063 0.000 2.595 500 W HA 0.272 4.664 4.660 -0.446 0.000 0.257 500 W C 1.897 178.412 176.519 -0.005 0.000 1.267 500 W CA 1.073 58.435 57.345 0.030 0.000 1.300 500 W CB -1.022 28.455 29.460 0.029 0.000 1.120 500 W HN 0.511 nan 8.180 nan 0.000 0.618 501 G N 1.394 110.300 108.800 0.177 0.000 2.147 501 G HA2 -0.305 3.388 3.960 -0.445 0.000 0.244 501 G HA3 -0.305 3.388 3.960 -0.445 0.000 0.244 501 G C 0.210 175.177 174.900 0.112 0.000 1.005 501 G CA 0.325 45.491 45.100 0.111 0.000 0.713 501 G HN 0.346 nan 8.290 nan 0.000 0.515 502 I N -3.042 117.614 120.570 0.143 0.000 3.078 502 I HA 0.741 4.644 4.170 -0.445 0.000 0.318 502 I C -0.097 176.073 176.117 0.088 0.000 1.016 502 I CA -1.102 60.266 61.300 0.114 0.000 1.130 502 I CB 1.239 39.318 38.000 0.131 0.000 1.397 502 I HN -0.050 nan 8.210 nan 0.000 0.570 503 D N 2.143 122.601 120.400 0.096 0.000 2.456 503 D HA 0.177 4.550 4.640 -0.445 0.000 0.219 503 D C 0.488 176.806 176.300 0.030 0.000 1.126 503 D CA -0.417 53.655 54.000 0.119 0.000 0.890 503 D CB 0.858 41.768 40.800 0.183 0.000 1.025 503 D HN 0.628 nan 8.370 nan 0.000 0.511 504 S N 2.401 117.995 115.700 -0.176 0.000 2.710 504 S HA 0.114 4.317 4.470 -0.445 0.000 0.224 504 S C 0.740 174.979 174.600 -0.601 0.000 0.948 504 S CA -0.445 57.521 58.200 -0.390 0.000 0.949 504 S CB -0.520 62.409 63.200 -0.452 0.000 0.778 504 S HN 0.380 nan 8.310 nan 0.000 0.498 505 F N 1.664 121.697 119.950 0.139 0.000 2.729 505 F HA 0.323 4.582 4.527 -0.446 0.000 0.315 505 F C 0.420 176.266 175.800 0.077 0.000 1.102 505 F CA -1.043 57.034 58.000 0.127 0.000 1.204 505 F CB 0.336 39.393 39.000 0.095 0.000 1.052 505 F HN 0.217 nan 8.300 nan 0.000 0.551 506 D N -0.312 120.178 120.400 0.151 0.000 2.506 506 D HA 0.367 4.741 4.640 -0.445 0.000 0.254 506 D C -0.216 176.056 176.300 -0.048 0.000 1.089 506 D CA -0.652 53.350 54.000 0.002 0.000 1.050 506 D CB 0.793 41.610 40.800 0.027 0.000 1.221 506 D HN 0.025 nan 8.370 nan 0.000 0.589 507 Q N -0.387 119.290 119.800 -0.205 0.000 3.576 507 Q HA 0.116 4.189 4.340 -0.445 0.000 0.249 507 Q C -0.815 175.121 176.000 -0.106 0.000 0.771 507 Q CA -0.562 55.182 55.803 -0.099 0.000 0.897 507 Q CB -1.269 27.422 28.738 -0.077 0.000 1.551 507 Q HN 0.731 nan 8.270 nan 0.000 0.388 508 W N 1.012 122.328 121.300 0.026 0.000 2.465 508 W HA 0.101 4.497 4.660 -0.440 0.000 0.268 508 W C 2.015 178.539 176.519 0.008 0.000 1.242 508 W CA 1.285 58.642 57.345 0.020 0.000 1.248 508 W CB 0.116 29.589 29.460 0.020 0.000 1.118 508 W HN 0.616 nan 8.180 nan 0.000 0.587 509 G N 0.398 109.316 108.800 0.197 0.000 2.625 509 G HA2 -0.149 3.544 3.960 -0.445 0.000 0.214 509 G HA3 -0.149 3.544 3.960 -0.445 0.000 0.214 509 G C 1.270 176.211 174.900 0.070 0.000 1.132 509 G CA 1.313 46.482 45.100 0.114 0.000 0.782 509 G HN 0.311 nan 8.290 nan 0.000 0.538 510 V N -3.076 116.872 119.914 0.058 0.000 3.565 510 V HA 0.264 4.117 4.120 -0.445 0.000 0.260 510 V C 1.938 178.054 176.094 0.036 0.000 1.231 510 V CA 1.228 63.544 62.300 0.027 0.000 1.100 510 V CB 0.283 32.105 31.823 -0.002 0.000 0.807 510 V HN 0.343 nan 8.190 nan 0.000 0.454 511 E N 0.624 120.866 120.200 0.069 0.000 2.038 511 E HA -0.255 3.828 4.350 -0.445 0.000 0.195 511 E C 2.091 178.725 176.600 0.057 0.000 1.000 511 E CA 1.917 58.361 56.400 0.074 0.000 0.803 511 E CB -0.169 29.618 29.700 0.144 0.000 0.750 511 E HN 0.538 nan 8.360 nan 0.000 0.448 512 L N 0.775 122.035 121.223 0.061 0.000 2.081 512 L HA -0.097 3.976 4.340 -0.445 0.000 0.212 512 L C 2.199 179.081 176.870 0.020 0.000 1.080 512 L CA 2.414 57.277 54.840 0.039 0.000 0.754 512 L CB -0.989 41.091 42.059 0.034 0.000 0.893 512 L HN 0.234 nan 8.230 nan 0.000 0.433 513 G N -1.044 107.766 108.800 0.016 0.000 2.422 513 G HA2 -0.266 3.427 3.960 -0.445 0.000 0.218 513 G HA3 -0.266 3.427 3.960 -0.445 0.000 0.218 513 G C 1.720 176.619 174.900 -0.002 0.000 1.146 513 G CA 0.875 45.977 45.100 0.002 0.000 0.769 513 G HN 0.422 nan 8.290 nan 0.000 0.547 514 K N 0.050 120.453 120.400 0.004 0.000 2.001 514 K HA -0.069 3.985 4.320 -0.445 0.000 0.208 514 K C 3.013 179.614 176.600 0.002 0.000 1.048 514 K CA 1.690 57.978 56.287 0.001 0.000 0.932 514 K CB -0.370 32.132 32.500 0.004 0.000 0.715 514 K HN 0.452 nan 8.250 nan 0.000 0.437 515 T N -0.913 113.647 114.554 0.010 0.000 2.821 515 T HA -0.181 3.902 4.350 -0.445 0.000 0.267 515 T C 2.033 176.735 174.700 0.003 0.000 1.046 515 T CA 1.106 63.212 62.100 0.010 0.000 1.139 515 T CB -0.125 68.755 68.868 0.019 0.000 0.871 515 T HN 0.020 nan 8.240 nan 0.000 0.454 516 Q N 1.560 121.360 119.800 0.000 0.000 2.167 516 Q HA 0.245 4.318 4.340 -0.445 0.000 0.202 516 Q C 2.375 178.365 176.000 -0.015 0.000 0.970 516 Q CA 1.575 57.374 55.803 -0.007 0.000 0.855 516 Q CB -0.893 27.840 28.738 -0.008 0.000 0.911 516 Q HN 0.693 nan 8.270 nan 0.000 0.438 517 A N 0.531 123.340 122.820 -0.018 0.000 1.898 517 A HA -0.183 3.870 4.320 -0.445 0.000 0.216 517 A C 2.031 179.602 177.584 -0.022 0.000 1.181 517 A CA 1.632 53.653 52.037 -0.027 0.000 0.620 517 A CB -0.584 18.399 19.000 -0.028 0.000 0.819 517 A HN 0.383 nan 8.150 nan 0.000 0.442 518 K N -0.203 120.189 120.400 -0.013 0.000 2.103 518 K HA -0.117 3.936 4.320 -0.445 0.000 0.207 518 K C 2.052 178.647 176.600 -0.008 0.000 1.048 518 K CA 1.300 57.581 56.287 -0.009 0.000 0.930 518 K CB -0.294 32.205 32.500 -0.003 0.000 0.716 518 K HN 0.373 nan 8.250 nan 0.000 0.444 519 A N 0.627 123.442 122.820 -0.008 0.000 1.968 519 A HA -0.059 3.994 4.320 -0.445 0.000 0.217 519 A C 1.859 179.437 177.584 -0.011 0.000 1.169 519 A CA 0.808 52.842 52.037 -0.007 0.000 0.638 519 A CB -0.240 18.758 19.000 -0.005 0.000 0.812 519 A HN 0.273 nan 8.150 nan 0.000 0.446 520 L N -0.787 120.424 121.223 -0.019 0.000 2.395 520 L HA 0.035 4.108 4.340 -0.445 0.000 0.218 520 L C 2.113 178.965 176.870 -0.029 0.000 1.130 520 L CA 0.852 55.675 54.840 -0.028 0.000 0.826 520 L CB -0.722 41.310 42.059 -0.044 0.000 0.941 520 L HN 0.428 nan 8.230 nan 0.000 0.451 521 L N 0.818 122.027 121.223 -0.024 0.000 2.012 521 L HA -0.114 3.959 4.340 -0.445 0.000 0.210 521 L C -0.568 176.304 176.870 0.003 0.000 1.073 521 L CA 2.143 56.974 54.840 -0.016 0.000 0.748 521 L CB -1.554 40.499 42.059 -0.010 0.000 0.891 521 L HN 0.168 nan 8.230 nan 0.000 0.431 522 P HA -0.075 nan 4.420 nan 0.000 0.221 522 P C 2.037 179.347 177.300 0.018 0.000 1.150 522 P CA 1.020 64.128 63.100 0.013 0.000 0.800 522 P CB -0.005 31.700 31.700 0.008 0.000 0.787 523 V N 0.997 120.918 119.914 0.012 0.000 2.295 523 V HA -0.211 3.642 4.120 -0.445 0.000 0.246 523 V C 2.331 178.448 176.094 0.038 0.000 1.049 523 V CA 1.965 64.275 62.300 0.017 0.000 1.024 523 V CB -1.266 30.559 31.823 0.004 0.000 0.648 523 V HN 0.143 nan 8.190 nan 0.000 0.447 524 I N -3.206 117.389 120.570 0.041 0.000 3.419 524 I HA 0.021 3.925 4.170 -0.445 0.000 0.286 524 I C 1.842 178.045 176.117 0.143 0.000 1.268 524 I CA 1.134 62.502 61.300 0.113 0.000 1.414 524 I CB -0.260 37.772 38.000 0.054 0.000 1.074 524 I HN 0.136 nan 8.210 nan 0.000 0.457 525 T N 0.583 115.186 114.554 0.083 0.000 2.999 525 T HA 0.303 4.386 4.350 -0.445 0.000 0.247 525 T C 1.126 175.853 174.700 0.045 0.000 1.012 525 T CA 0.448 62.590 62.100 0.071 0.000 1.048 525 T CB 0.135 69.035 68.868 0.053 0.000 1.020 525 T HN 0.524 nan 8.240 nan 0.000 0.478 526 G N 1.116 109.937 108.800 0.035 0.000 2.606 526 G HA2 0.536 4.229 3.960 -0.445 0.000 0.252 526 G HA3 0.536 4.229 3.960 -0.445 0.000 0.252 526 G C 0.026 174.939 174.900 0.022 0.000 1.206 526 G CA -0.220 44.895 45.100 0.024 0.000 0.861 526 G HN 0.484 nan 8.290 nan 0.000 0.561 527 A N -0.538 122.292 122.820 0.015 0.000 2.445 527 A HA 0.657 4.710 4.320 -0.445 0.000 0.242 527 A C 1.161 178.752 177.584 0.012 0.000 1.075 527 A CA 0.907 52.951 52.037 0.012 0.000 0.777 527 A CB -0.420 18.585 19.000 0.009 0.000 1.013 527 A HN 2.693 nan 8.150 nan 0.000 0.493 528 G N 0.654 109.461 108.800 0.011 0.000 2.731 528 G HA2 0.205 3.898 3.960 -0.445 0.000 0.686 528 G HA3 0.205 3.898 3.960 -0.445 0.000 0.686 528 G C 0.052 174.960 174.900 0.013 0.000 1.395 528 G CA -0.039 45.067 45.100 0.010 0.000 0.870 528 G HN 2.319 nan 8.290 nan 0.000 0.591 529 S N 1.892 117.599 115.700 0.012 0.000 2.549 529 S HA 0.530 4.733 4.470 -0.445 0.000 0.286 529 S C -1.585 173.024 174.600 0.015 0.000 1.314 529 S CA -0.409 57.800 58.200 0.014 0.000 1.062 529 S CB 1.084 64.291 63.200 0.012 0.000 0.865 529 S HN 0.720 nan 8.310 nan 0.000 0.498 530 P HA 0.299 nan 4.420 nan 0.000 0.269 530 P C -2.287 175.020 177.300 0.012 0.000 1.209 530 P CA -0.976 62.133 63.100 0.016 0.000 0.776 530 P CB -0.580 31.132 31.700 0.020 0.000 0.876 531 P HA 0.193 nan 4.420 nan 0.000 0.271 531 P C -2.417 174.887 177.300 0.006 0.000 1.233 531 P CA -1.254 61.850 63.100 0.006 0.000 0.789 531 P CB -1.150 30.553 31.700 0.005 0.000 0.951 532 P HA 0.061 nan 4.420 nan 0.000 0.261 532 P C -0.142 177.159 177.300 0.002 0.000 1.183 532 P CA 0.368 63.470 63.100 0.003 0.000 0.761 532 P CB 0.232 31.933 31.700 0.002 0.000 0.785 533 Q N 1.436 121.237 119.800 0.002 0.000 2.316 533 Q HA 0.223 4.297 4.340 -0.445 0.000 0.215 533 Q C 1.429 177.427 176.000 -0.003 0.000 1.020 533 Q CA 0.210 56.013 55.803 -0.001 0.000 0.970 533 Q CB 0.149 28.885 28.738 -0.002 0.000 1.187 533 Q HN 0.297 nan 8.270 nan 0.000 0.546 534 S N 0.105 115.802 115.700 -0.004 0.000 2.440 534 S HA -0.109 4.094 4.470 -0.445 0.000 0.238 534 S C -0.305 174.292 174.600 -0.005 0.000 1.010 534 S CA 1.559 59.756 58.200 -0.005 0.000 0.972 534 S CB -0.413 62.783 63.200 -0.007 0.000 0.774 534 S HN 0.698 nan 8.310 nan 0.000 0.501 535 D N -2.077 118.319 120.400 -0.005 0.000 2.654 535 D HA 0.340 4.713 4.640 -0.445 0.000 0.231 535 D C 0.544 176.842 176.300 -0.004 0.000 1.239 535 D CA -0.268 53.729 54.000 -0.005 0.000 0.790 535 D CB 0.813 41.609 40.800 -0.007 0.000 1.480 535 D HN -0.088 nan 8.370 nan 0.000 0.442 536 S N 0.544 116.242 115.700 -0.003 0.000 2.474 536 S HA -0.172 4.031 4.470 -0.445 0.000 0.235 536 S C 1.770 176.370 174.600 -0.000 0.000 0.997 536 S CA 1.149 59.349 58.200 -0.001 0.000 0.949 536 S CB -0.336 62.863 63.200 -0.001 0.000 0.766 536 S HN 0.442 nan 8.310 nan 0.000 0.517 537 S N 2.019 117.717 115.700 -0.003 0.000 2.348 537 S HA -0.121 4.082 4.470 -0.445 0.000 0.219 537 S C 2.240 176.838 174.600 -0.003 0.000 1.033 537 S CA 1.876 60.074 58.200 -0.003 0.000 0.974 537 S CB -1.227 61.969 63.200 -0.006 0.000 0.868 537 S HN 0.824 nan 8.310 nan 0.000 0.459 538 T N -0.854 113.696 114.554 -0.007 0.000 2.915 538 T HA -0.112 3.971 4.350 -0.445 0.000 0.269 538 T C 1.484 176.182 174.700 -0.003 0.000 1.071 538 T CA 1.994 64.088 62.100 -0.011 0.000 1.132 538 T CB -0.809 68.048 68.868 -0.018 0.000 0.878 538 T HN 0.520 nan 8.240 nan 0.000 0.479 539 D N 0.959 121.359 120.400 0.000 0.000 2.084 539 D HA 0.021 4.395 4.640 -0.445 0.000 0.194 539 D C 2.432 178.740 176.300 0.013 0.000 0.990 539 D CA 1.547 55.550 54.000 0.006 0.000 0.826 539 D CB -0.807 39.995 40.800 0.005 0.000 0.971 539 D HN 0.490 nan 8.370 nan 0.000 0.453 540 G N 0.083 108.890 108.800 0.012 0.000 2.418 540 G HA2 -0.206 3.487 3.960 -0.445 0.000 0.217 540 G HA3 -0.206 3.487 3.960 -0.445 0.000 0.217 540 G C 1.676 176.592 174.900 0.027 0.000 1.158 540 G CA 0.559 45.669 45.100 0.017 0.000 0.771 540 G HN 0.284 nan 8.290 nan 0.000 0.545 541 L N 0.103 121.340 121.223 0.023 0.000 2.027 541 L HA -0.070 4.003 4.340 -0.445 0.000 0.206 541 L C 3.007 179.914 176.870 0.062 0.000 1.074 541 L CA 0.484 55.345 54.840 0.034 0.000 0.745 541 L CB -0.485 41.580 42.059 0.009 0.000 0.898 541 L HN 0.077 nan 8.230 nan 0.000 0.433 542 V N -0.355 119.583 119.914 0.041 0.000 2.392 542 V HA -0.291 3.562 4.120 -0.445 0.000 0.249 542 V C 2.690 178.852 176.094 0.114 0.000 1.059 542 V CA 1.601 63.942 62.300 0.067 0.000 1.051 542 V CB -0.587 31.253 31.823 0.028 0.000 0.658 542 V HN 0.369 nan 8.190 nan 0.000 0.455 543 R N -0.050 120.494 120.500 0.073 0.000 2.073 543 R HA -0.057 4.016 4.340 -0.445 0.000 0.229 543 R C 2.337 178.675 176.300 0.063 0.000 1.120 543 R CA 1.178 57.313 56.100 0.059 0.000 0.967 543 R CB -0.827 29.494 30.300 0.035 0.000 0.862 543 R HN 0.358 nan 8.270 nan 0.000 0.436 544 R N -0.314 120.227 120.500 0.067 0.000 2.096 544 R HA -0.150 3.923 4.340 -0.445 0.000 0.235 544 R C 1.952 178.298 176.300 0.077 0.000 1.127 544 R CA 1.459 57.594 56.100 0.058 0.000 0.968 544 R CB -0.984 29.350 30.300 0.056 0.000 0.861 544 R HN 0.348 nan 8.270 nan 0.000 0.440 545 Y N 0.701 121.000 120.300 -0.001 0.000 2.145 545 Y HA -0.151 4.132 4.550 -0.445 0.000 0.286 545 Y C 2.071 177.971 175.900 -0.000 0.000 1.145 545 Y CA 2.042 60.141 58.100 -0.001 0.000 1.148 545 Y CB -0.146 38.314 38.460 -0.001 0.000 0.981 545 Y HN 0.008 nan 8.280 nan 0.000 0.507 546 R N -0.552 119.988 120.500 0.067 0.000 2.080 546 R HA -0.196 3.877 4.340 -0.445 0.000 0.236 546 R C 2.502 178.755 176.300 -0.079 0.000 1.137 546 R CA 2.344 58.432 56.100 -0.020 0.000 0.943 546 R CB -1.073 29.254 30.300 0.045 0.000 0.846 546 R HN 0.557 nan 8.270 nan 0.000 0.431 547 T N -0.799 113.730 114.554 -0.042 0.000 2.720 547 T HA -0.197 3.886 4.350 -0.445 0.000 0.268 547 T C 1.840 176.492 174.700 -0.080 0.000 1.037 547 T CA 1.646 63.719 62.100 -0.046 0.000 1.144 547 T CB -0.144 68.712 68.868 -0.021 0.000 0.864 547 T HN 0.130 nan 8.240 nan 0.000 0.444 548 E N 0.892 121.027 120.200 -0.109 0.000 2.150 548 E HA 0.045 4.128 4.350 -0.445 0.000 0.193 548 E C 2.332 178.822 176.600 -0.184 0.000 0.985 548 E CA 0.710 57.034 56.400 -0.126 0.000 0.814 548 E CB -0.164 29.470 29.700 -0.109 0.000 0.752 548 E HN 0.500 nan 8.360 nan 0.000 0.466 549 R N -0.758 119.566 120.500 -0.294 0.000 2.328 549 R HA 0.104 4.177 4.340 -0.445 0.000 0.200 549 R C 0.535 176.747 176.300 -0.147 0.000 0.983 549 R CA 0.637 56.573 56.100 -0.274 0.000 1.062 549 R CB 0.028 30.073 30.300 -0.425 0.000 0.956 549 R HN 0.236 nan 8.270 nan 0.000 0.479 550 G N 1.661 110.396 108.800 -0.109 0.000 2.248 550 G HA2 -0.290 3.403 3.960 -0.445 0.000 0.263 550 G HA3 -0.290 3.403 3.960 -0.445 0.000 0.263 550 G C 0.502 175.371 174.900 -0.052 0.000 1.082 550 G CA 0.106 45.166 45.100 -0.066 0.000 0.863 550 G HN 0.389 nan 8.290 nan 0.000 0.495 551 R N -0.954 119.514 120.500 -0.053 0.000 2.517 551 R HA 0.430 4.504 4.340 -0.445 0.000 0.265 551 R C 1.922 178.210 176.300 -0.019 0.000 0.921 551 R CA 0.578 56.658 56.100 -0.033 0.000 1.054 551 R CB 0.622 30.902 30.300 -0.034 0.000 1.340 551 R HN 0.575 nan 8.270 nan 0.000 0.551 552 A N 1.098 123.904 122.820 -0.022 0.000 2.500 552 A HA 0.327 4.380 4.320 -0.445 0.000 0.267 552 A C 0.746 178.323 177.584 -0.010 0.000 1.290 552 A CA -0.201 51.829 52.037 -0.011 0.000 0.928 552 A CB 0.197 19.192 19.000 -0.009 0.000 1.066 552 A HN 0.192 nan 8.150 nan 0.000 0.516 553 G N -0.509 108.283 108.800 -0.013 0.000 2.313 553 G HA2 0.393 4.086 3.960 -0.445 0.000 0.250 553 G HA3 0.393 4.086 3.960 -0.445 0.000 0.250 553 G C 0.625 175.522 174.900 -0.006 0.000 1.281 553 G CA 0.276 45.370 45.100 -0.010 0.000 0.917 553 G HN 0.901 nan 8.290 nan 0.000 0.501 554 L N -0.225 120.996 121.223 -0.004 0.000 4.586 554 L HA -0.150 3.923 4.340 -0.445 0.000 0.401 554 L C 0.738 177.608 176.870 -0.000 0.000 0.854 554 L CA 0.942 55.781 54.840 -0.002 0.000 1.918 554 L CB -1.722 40.336 42.059 -0.001 0.000 1.631 554 L HN 0.628 nan 8.230 nan 0.000 0.579 555 E N 0.000 120.200 120.200 -0.000 0.000 2.725 555 E HA 0.000 4.083 4.350 -0.445 0.000 0.291 555 E CA 0.000 56.401 56.400 0.003 0.000 0.976 555 E CB 0.000 29.703 29.700 0.005 0.000 0.812 555 E HN 0.000 nan 8.360 nan 0.000 0.440