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 2g50_1_A DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHKCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKGPDF LVTEVENGGF LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKAADVH EVRKILGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE IIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR KLFEELARAS SQSTDLMEAM DATA SEQUENCE AMGSVEASYK CLAAALIVLT ESGRSAHQVA RYRPRAPIIA VTRNHQTARQ DATA SEQUENCE AHLYRGIFPV VCKDPVQEAW AEDVDLRVNL AMNVGKARGF FKKGDVVIVL DATA SEQUENCE TGWRPGSGFT NTMRVVPVP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 I HA 0.000 nan 4.170 nan 0.000 0.288 12 I C 0.000 176.101 176.117 -0.027 0.000 1.063 12 I CA 0.000 61.273 61.300 -0.045 0.000 1.566 12 I CB 0.000 37.978 38.000 -0.036 0.000 1.214 13 Q N 3.931 123.716 119.800 -0.025 0.000 2.300 13 Q HA 0.241 4.585 4.340 0.006 0.000 0.280 13 Q C 0.448 176.454 176.000 0.009 0.000 1.033 13 Q CA 0.065 55.869 55.803 0.001 0.000 0.903 13 Q CB 0.962 29.714 28.738 0.024 0.000 1.195 13 Q HN 0.680 nan 8.270 nan 0.000 0.386 14 T N -0.207 114.354 114.554 0.011 0.000 2.748 14 T HA -0.030 4.324 4.350 0.006 0.000 0.304 14 T C 0.558 175.270 174.700 0.021 0.000 1.041 14 T CA -0.548 61.560 62.100 0.013 0.000 1.033 14 T CB 0.809 69.686 68.868 0.015 0.000 0.995 14 T HN 0.829 nan 8.240 nan 0.000 0.536 15 Q N 0.165 119.977 119.800 0.020 0.000 2.481 15 Q HA -0.266 4.078 4.340 0.006 0.000 0.272 15 Q C -0.253 175.774 176.000 0.045 0.000 1.157 15 Q CA 0.727 56.548 55.803 0.031 0.000 0.935 15 Q CB -1.259 27.495 28.738 0.027 0.000 1.338 15 Q HN 0.799 nan 8.270 nan 0.000 0.494 16 Q N -2.283 117.533 119.800 0.027 0.000 2.435 16 Q HA -0.249 4.094 4.340 0.006 0.000 0.286 16 Q C 0.563 176.585 176.000 0.037 0.000 1.229 16 Q CA 1.536 57.346 55.803 0.012 0.000 0.884 16 Q CB -1.884 26.849 28.738 -0.008 0.000 1.245 16 Q HN 0.715 nan 8.270 nan 0.000 0.488 17 L N -1.254 120.001 121.223 0.053 0.000 2.291 17 L HA -0.155 4.189 4.340 0.006 0.000 0.214 17 L C 2.246 179.168 176.870 0.087 0.000 1.120 17 L CA 1.287 56.166 54.840 0.065 0.000 0.799 17 L CB -0.324 41.767 42.059 0.053 0.000 0.925 17 L HN 0.341 nan 8.230 nan 0.000 0.446 18 H N 0.422 119.477 119.070 -0.025 0.000 2.326 18 H HA -0.102 4.462 4.556 0.012 0.000 0.301 18 H C 2.152 177.444 175.328 -0.060 0.000 1.081 18 H CA 1.485 57.510 56.048 -0.038 0.000 1.334 18 H CB 0.083 29.813 29.762 -0.053 0.000 1.385 18 H HN 0.230 nan 8.280 nan 0.000 0.504 19 A N 0.829 123.533 122.820 -0.194 0.000 1.972 19 A HA -0.070 4.253 4.320 0.006 0.000 0.219 19 A C 2.594 180.109 177.584 -0.115 0.000 1.169 19 A CA 1.637 53.457 52.037 -0.362 0.000 0.635 19 A CB -1.270 17.377 19.000 -0.588 0.000 0.810 19 A HN 0.608 nan 8.150 nan 0.000 0.446 20 A N -1.274 121.570 122.820 0.039 0.000 2.024 20 A HA -0.081 4.242 4.320 0.006 0.000 0.220 20 A C 1.896 179.585 177.584 0.176 0.000 1.164 20 A CA 1.762 53.909 52.037 0.184 0.000 0.643 20 A CB -0.354 18.731 19.000 0.142 0.000 0.806 20 A HN 0.413 nan 8.150 nan 0.000 0.451 21 M N -0.380 119.252 119.600 0.054 0.000 2.495 21 M HA 0.280 4.763 4.480 0.006 0.000 0.237 21 M C 1.009 177.336 176.300 0.045 0.000 1.131 21 M CA -0.246 55.088 55.300 0.056 0.000 1.032 21 M CB -1.367 31.251 32.600 0.030 0.000 1.513 21 M HN 0.382 nan 8.290 nan 0.000 0.488 22 A N 0.913 123.736 122.820 0.006 0.000 2.507 22 A HA 0.040 4.364 4.320 0.006 0.000 0.235 22 A C 0.907 178.621 177.584 0.215 0.000 1.070 22 A CA 0.208 52.242 52.037 -0.006 0.000 0.768 22 A CB 0.271 19.155 19.000 -0.194 0.000 1.011 22 A HN 0.312 nan 8.150 nan 0.000 0.502 23 D N -0.474 120.015 120.400 0.149 0.000 2.271 23 D HA 0.052 4.695 4.640 0.006 0.000 0.206 23 D C 0.988 177.436 176.300 0.246 0.000 0.967 23 D CA 1.853 55.959 54.000 0.176 0.000 0.867 23 D CB 0.137 40.993 40.800 0.093 0.000 0.960 23 D HN 0.769 nan 8.370 nan 0.000 0.509 24 T N -3.485 111.212 114.554 0.239 0.000 2.916 24 T HA 0.300 4.654 4.350 0.006 0.000 0.292 24 T C 0.705 175.618 174.700 0.355 0.000 1.064 24 T CA -0.869 61.397 62.100 0.277 0.000 1.011 24 T CB 1.366 70.326 68.868 0.153 0.000 1.152 24 T HN -0.104 nan 8.240 nan 0.000 0.510 25 F N 0.700 120.811 119.950 0.269 0.000 2.186 25 F HA 0.025 4.548 4.527 -0.007 0.000 0.299 25 F C 1.923 177.763 175.800 0.066 0.000 1.090 25 F CA 1.063 59.187 58.000 0.207 0.000 1.307 25 F CB -0.103 39.014 39.000 0.195 0.000 1.019 25 F HN 0.526 nan 8.300 nan 0.000 0.489 26 L N 0.909 122.149 121.223 0.029 0.000 2.017 26 L HA -0.204 4.140 4.340 0.006 0.000 0.208 26 L C 2.243 179.012 176.870 -0.169 0.000 1.073 26 L CA 2.240 57.023 54.840 -0.094 0.000 0.745 26 L CB -1.068 40.994 42.059 0.006 0.000 0.894 26 L HN 0.179 nan 8.230 nan 0.000 0.432 27 E N -1.229 118.905 120.200 -0.110 0.000 2.110 27 E HA -0.292 4.061 4.350 0.006 0.000 0.193 27 E C 2.210 178.649 176.600 -0.268 0.000 0.988 27 E CA 1.578 57.890 56.400 -0.147 0.000 0.804 27 E CB -0.306 29.342 29.700 -0.087 0.000 0.745 27 E HN 0.730 nan 8.360 nan 0.000 0.458 28 H N 0.324 119.100 119.070 -0.491 0.000 2.290 28 H HA -0.058 4.505 4.556 0.010 0.000 0.298 28 H C 1.827 176.827 175.328 -0.547 0.000 1.087 28 H CA 2.404 58.032 56.048 -0.701 0.000 1.291 28 H CB 0.111 29.138 29.762 -1.225 0.000 1.369 28 H HN 0.044 nan 8.280 nan 0.000 0.492 29 K N -0.621 119.433 120.400 -0.576 0.000 2.032 29 K HA -0.154 4.170 4.320 0.006 0.000 0.209 29 K C 2.475 178.872 176.600 -0.339 0.000 1.048 29 K CA 1.538 57.535 56.287 -0.483 0.000 0.927 29 K CB -0.381 31.848 32.500 -0.452 0.000 0.712 29 K HN 0.347 nan 8.250 nan 0.000 0.441 30 C N 0.476 119.611 119.300 -0.274 0.000 2.419 30 C HA -0.037 4.427 4.460 0.006 0.000 0.283 30 C C 2.224 177.109 174.990 -0.175 0.000 1.373 30 C CA 0.552 59.459 59.018 -0.184 0.000 1.781 30 C CB -0.899 26.758 27.740 -0.137 0.000 1.886 30 C HN 0.366 nan 8.230 nan 0.000 0.520 31 R N -0.194 120.154 120.500 -0.254 0.000 2.300 31 R HA 0.219 4.562 4.340 0.006 0.000 0.199 31 R C 0.205 176.386 176.300 -0.198 0.000 0.920 31 R CA -0.087 55.891 56.100 -0.203 0.000 1.046 31 R CB -0.019 30.077 30.300 -0.339 0.000 0.984 31 R HN 0.477 nan 8.270 nan 0.000 0.493 32 L N 1.969 123.028 121.223 -0.273 0.000 2.499 32 L HA -0.011 4.333 4.340 0.006 0.000 0.273 32 L C -0.100 176.696 176.870 -0.122 0.000 1.195 32 L CA 0.399 55.104 54.840 -0.224 0.000 0.882 32 L CB 0.157 42.075 42.059 -0.235 0.000 1.133 32 L HN -0.045 nan 8.230 nan 0.000 0.483 33 D N 3.014 123.362 120.400 -0.086 0.000 2.686 33 D HA 0.208 4.852 4.640 0.006 0.000 0.249 33 D C 0.668 176.942 176.300 -0.043 0.000 1.260 33 D CA -0.589 53.380 54.000 -0.053 0.000 0.910 33 D CB 1.392 42.172 40.800 -0.033 0.000 1.323 33 D HN 0.444 nan 8.370 nan 0.000 0.561 34 I N -0.031 120.516 120.570 -0.039 0.000 2.756 34 I HA 0.008 4.181 4.170 0.006 0.000 0.262 34 I C 0.332 176.435 176.117 -0.023 0.000 1.225 34 I CA 0.861 62.142 61.300 -0.031 0.000 1.472 34 I CB 0.179 38.162 38.000 -0.029 0.000 1.094 34 I HN 0.055 nan 8.210 nan 0.000 0.454 35 D N 1.098 121.483 120.400 -0.024 0.000 2.340 35 D HA 0.082 4.726 4.640 0.006 0.000 0.217 35 D C 0.582 176.872 176.300 -0.017 0.000 1.081 35 D CA 0.349 54.337 54.000 -0.019 0.000 0.842 35 D CB 0.485 41.272 40.800 -0.022 0.000 0.934 35 D HN 0.253 nan 8.370 nan 0.000 0.511 36 S N 0.800 116.490 115.700 -0.017 0.000 2.404 36 S HA 0.510 4.983 4.470 0.006 0.000 0.309 36 S C -0.001 174.596 174.600 -0.005 0.000 1.076 36 S CA -0.667 57.527 58.200 -0.010 0.000 1.095 36 S CB 0.377 63.572 63.200 -0.008 0.000 0.972 36 S HN 0.171 nan 8.310 nan 0.000 0.484 37 A N 7.517 130.336 122.820 -0.001 0.000 2.440 37 A HA 0.563 4.886 4.320 0.006 0.000 0.251 37 A C -2.037 175.550 177.584 0.005 0.000 1.089 37 A CA -1.197 50.841 52.037 0.002 0.000 0.779 37 A CB -0.123 18.880 19.000 0.005 0.000 1.022 37 A HN 0.692 nan 8.150 nan 0.000 0.492 38 P HA 0.315 nan 4.420 nan 0.000 0.275 38 P C 0.034 177.335 177.300 0.003 0.000 1.266 38 P CA -0.273 62.827 63.100 0.001 0.000 0.793 38 P CB 0.401 32.094 31.700 -0.013 0.000 1.074 39 I N -2.955 117.613 120.570 -0.004 0.000 3.156 39 I HA 0.218 4.392 4.170 0.006 0.000 0.306 39 I C 1.229 177.345 176.117 -0.002 0.000 1.048 39 I CA -0.503 60.795 61.300 -0.003 0.000 1.207 39 I CB -0.397 37.589 38.000 -0.023 0.000 1.456 39 I HN 0.146 nan 8.210 nan 0.000 0.616 40 T N 1.974 116.547 114.554 0.031 0.000 2.777 40 T HA 0.030 4.383 4.350 0.006 0.000 0.266 40 T C 1.071 175.812 174.700 0.068 0.000 1.040 40 T CA 1.182 63.337 62.100 0.093 0.000 1.141 40 T CB -0.301 68.675 68.868 0.180 0.000 0.868 40 T HN 0.762 nan 8.240 nan 0.000 0.444 41 A N 2.114 124.845 122.820 -0.148 0.000 2.498 41 A HA 0.390 4.714 4.320 0.006 0.000 0.239 41 A C 0.590 178.075 177.584 -0.165 0.000 1.068 41 A CA -0.097 51.683 52.037 -0.427 0.000 0.766 41 A CB 0.136 18.545 19.000 -0.985 0.000 1.003 41 A HN 0.274 nan 8.150 nan 0.000 0.497 42 R N 2.358 122.829 120.500 -0.047 0.000 2.409 42 R HA 0.244 4.588 4.340 0.006 0.000 0.313 42 R C -0.362 175.977 176.300 0.065 0.000 0.953 42 R CA -0.291 55.805 56.100 -0.007 0.000 0.849 42 R CB 0.696 30.992 30.300 -0.006 0.000 1.171 42 R HN 0.968 nan 8.270 nan 0.000 0.458 43 N N 0.688 119.416 118.700 0.047 0.000 2.395 43 N HA -0.014 4.730 4.740 0.006 0.000 0.175 43 N C -0.341 175.239 175.510 0.117 0.000 1.029 43 N CA 0.505 53.611 53.050 0.093 0.000 0.897 43 N CB 0.381 38.919 38.487 0.084 0.000 0.991 43 N HN 0.429 nan 8.380 nan 0.000 0.441 44 T N 0.912 115.519 114.554 0.089 0.000 2.779 44 T HA 0.235 4.589 4.350 0.006 0.000 0.296 44 T C 0.664 175.419 174.700 0.092 0.000 0.938 44 T CA -0.532 61.616 62.100 0.080 0.000 1.119 44 T CB 1.176 70.075 68.868 0.051 0.000 0.891 44 T HN 0.131 nan 8.240 nan 0.000 0.526 45 G N 2.721 111.576 108.800 0.092 0.000 2.441 45 G HA2 0.462 4.426 3.960 0.006 0.000 0.243 45 G HA3 0.462 4.426 3.960 0.006 0.000 0.243 45 G C -0.360 174.567 174.900 0.045 0.000 1.281 45 G CA -0.529 44.620 45.100 0.081 0.000 0.854 45 G HN 0.765 nan 8.290 nan 0.000 0.560 46 I N 1.861 122.443 120.570 0.020 0.000 2.362 46 I HA 0.308 4.481 4.170 0.006 0.000 0.289 46 I C -0.234 175.887 176.117 0.008 0.000 0.994 46 I CA -0.432 60.881 61.300 0.021 0.000 1.158 46 I CB 1.713 39.733 38.000 0.033 0.000 1.315 46 I HN 0.212 nan 8.210 nan 0.000 0.451 47 I N 5.831 126.423 120.570 0.037 0.000 2.339 47 I HA 0.369 4.542 4.170 0.006 0.000 0.290 47 I C -0.673 175.490 176.117 0.077 0.000 0.994 47 I CA -0.399 60.945 61.300 0.074 0.000 1.191 47 I CB 1.443 39.517 38.000 0.123 0.000 1.343 47 I HN 0.515 nan 8.210 nan 0.000 0.458 48 C N 3.837 123.182 119.300 0.076 0.000 2.379 48 C HA 0.442 4.906 4.460 0.006 0.000 0.323 48 C C 0.580 175.628 174.990 0.097 0.000 1.262 48 C CA -0.605 58.458 59.018 0.075 0.000 1.581 48 C CB 1.269 29.041 27.740 0.052 0.000 2.221 48 C HN 0.669 nan 8.230 nan 0.000 0.497 49 T N 4.984 119.601 114.554 0.106 0.000 2.794 49 T HA 0.325 4.679 4.350 0.006 0.000 0.296 49 T C 0.264 175.032 174.700 0.112 0.000 0.949 49 T CA -0.054 62.121 62.100 0.125 0.000 1.101 49 T CB 0.061 69.008 68.868 0.133 0.000 0.905 49 T HN 0.358 nan 8.240 nan 0.000 0.516 50 I N 3.083 123.728 120.570 0.123 0.000 2.396 50 I HA 0.660 4.834 4.170 0.006 0.000 0.292 50 I C 0.941 177.144 176.117 0.144 0.000 0.999 50 I CA -0.158 61.207 61.300 0.110 0.000 1.310 50 I CB 0.785 38.838 38.000 0.088 0.000 1.404 50 I HN 0.813 nan 8.210 nan 0.000 0.496 51 G N 5.924 114.796 108.800 0.121 0.000 2.731 51 G HA2 0.449 4.412 3.960 0.006 0.000 0.309 51 G HA3 0.449 4.412 3.960 0.006 0.000 0.309 51 G C -2.629 172.340 174.900 0.116 0.000 1.273 51 G CA -0.360 44.833 45.100 0.154 0.000 0.798 51 G HN 0.260 nan 8.290 nan 0.000 0.509 52 P HA -0.043 nan 4.420 nan 0.000 0.217 52 P C 1.846 179.169 177.300 0.038 0.000 1.148 52 P CA 2.295 65.439 63.100 0.074 0.000 0.828 52 P CB 0.125 31.853 31.700 0.047 0.000 0.783 53 A N -0.698 122.140 122.820 0.031 0.000 2.119 53 A HA -0.019 4.305 4.320 0.006 0.000 0.216 53 A C 1.851 179.445 177.584 0.018 0.000 1.152 53 A CA 1.690 53.734 52.037 0.013 0.000 0.708 53 A CB -0.762 18.243 19.000 0.007 0.000 0.805 53 A HN 0.339 nan 8.150 nan 0.000 0.460 54 S N -1.422 114.296 115.700 0.031 0.000 2.787 54 S HA 0.093 4.566 4.470 0.006 0.000 0.255 54 S C 1.297 175.912 174.600 0.025 0.000 1.051 54 S CA 0.113 58.332 58.200 0.031 0.000 1.124 54 S CB -0.197 63.028 63.200 0.042 0.000 1.104 54 S HN 0.719 nan 8.310 nan 0.000 0.623 55 R N 2.126 122.636 120.500 0.016 0.000 2.300 55 R HA 0.204 4.548 4.340 0.006 0.000 0.199 55 R C 0.624 176.913 176.300 -0.018 0.000 0.920 55 R CA 0.554 56.648 56.100 -0.010 0.000 1.046 55 R CB -0.368 29.903 30.300 -0.049 0.000 0.984 55 R HN 0.380 nan 8.270 nan 0.000 0.493 56 S N 0.010 115.706 115.700 -0.006 0.000 2.572 56 S HA 0.068 4.541 4.470 0.006 0.000 0.279 56 S C 1.422 176.021 174.600 -0.001 0.000 1.341 56 S CA -0.669 57.527 58.200 -0.007 0.000 1.043 56 S CB 1.785 64.983 63.200 -0.003 0.000 0.887 56 S HN -0.006 nan 8.310 nan 0.000 0.516 57 V N 2.416 122.327 119.914 -0.005 0.000 2.332 57 V HA -0.194 3.930 4.120 0.006 0.000 0.248 57 V C 2.774 178.871 176.094 0.005 0.000 1.055 57 V CA 2.419 64.718 62.300 -0.002 0.000 1.038 57 V CB -1.226 30.590 31.823 -0.013 0.000 0.651 57 V HN 1.085 nan 8.190 nan 0.000 0.450 58 E N -0.071 120.131 120.200 0.002 0.000 2.058 58 E HA -0.248 4.105 4.350 0.006 0.000 0.194 58 E C 2.176 178.791 176.600 0.026 0.000 0.997 58 E CA 2.050 58.455 56.400 0.008 0.000 0.801 58 E CB -0.186 29.516 29.700 0.003 0.000 0.746 58 E HN 0.617 nan 8.360 nan 0.000 0.450 59 T N 1.247 115.815 114.554 0.022 0.000 2.821 59 T HA -0.080 4.273 4.350 0.006 0.000 0.267 59 T C 1.885 176.610 174.700 0.042 0.000 1.046 59 T CA 0.968 63.085 62.100 0.029 0.000 1.139 59 T CB -0.136 68.744 68.868 0.020 0.000 0.871 59 T HN 0.144 nan 8.240 nan 0.000 0.454 60 L N 0.408 121.656 121.223 0.043 0.000 2.083 60 L HA -0.085 4.259 4.340 0.006 0.000 0.209 60 L C 2.609 179.537 176.870 0.098 0.000 1.083 60 L CA 1.315 56.189 54.840 0.056 0.000 0.752 60 L CB -0.388 41.700 42.059 0.047 0.000 0.899 60 L HN 0.204 nan 8.230 nan 0.000 0.433 61 K N -0.374 120.098 120.400 0.119 0.000 2.063 61 K HA -0.176 4.148 4.320 0.006 0.000 0.208 61 K C 2.054 178.783 176.600 0.215 0.000 1.048 61 K CA 1.195 57.625 56.287 0.239 0.000 0.928 61 K CB -0.048 32.543 32.500 0.151 0.000 0.713 61 K HN 0.217 nan 8.250 nan 0.000 0.442 62 E N 0.288 120.559 120.200 0.118 0.000 2.150 62 E HA -0.101 4.253 4.350 0.006 0.000 0.193 62 E C 1.996 178.619 176.600 0.039 0.000 0.985 62 E CA 0.844 57.289 56.400 0.076 0.000 0.814 62 E CB -0.028 29.706 29.700 0.055 0.000 0.752 62 E HN 0.307 nan 8.360 nan 0.000 0.466 63 M N 0.221 119.844 119.600 0.040 0.000 2.086 63 M HA -0.116 4.368 4.480 0.006 0.000 0.261 63 M C 2.471 178.761 176.300 -0.017 0.000 1.067 63 M CA 1.173 56.483 55.300 0.017 0.000 1.116 63 M CB -0.813 31.802 32.600 0.026 0.000 1.348 63 M HN 0.085 nan 8.290 nan 0.000 0.407 64 I N 0.027 120.590 120.570 -0.012 0.000 2.179 64 I HA -0.313 3.861 4.170 0.006 0.000 0.242 64 I C 2.343 178.357 176.117 -0.171 0.000 1.088 64 I CA 1.329 62.573 61.300 -0.094 0.000 1.357 64 I CB -0.416 37.538 38.000 -0.076 0.000 1.051 64 I HN 0.294 nan 8.210 nan 0.000 0.409 65 K N 0.387 120.698 120.400 -0.148 0.000 2.152 65 K HA -0.117 4.207 4.320 0.006 0.000 0.206 65 K C 2.112 178.631 176.600 -0.135 0.000 1.048 65 K CA 1.548 57.736 56.287 -0.164 0.000 0.933 65 K CB -0.146 32.314 32.500 -0.067 0.000 0.721 65 K HN 0.175 nan 8.250 nan 0.000 0.447 66 S N -1.011 114.631 115.700 -0.097 0.000 2.496 66 S HA 0.050 4.524 4.470 0.006 0.000 0.224 66 S C 1.196 175.705 174.600 -0.151 0.000 0.996 66 S CA 0.834 58.971 58.200 -0.106 0.000 0.927 66 S CB 0.671 63.847 63.200 -0.040 0.000 0.774 66 S HN 0.623 nan 8.310 nan 0.000 0.524 67 G N 0.996 109.719 108.800 -0.127 0.000 2.273 67 G HA2 -0.167 3.796 3.960 0.006 0.000 0.162 67 G HA3 -0.167 3.796 3.960 0.006 0.000 0.162 67 G C 0.078 174.938 174.900 -0.066 0.000 1.006 67 G CA -0.228 44.812 45.100 -0.099 0.000 0.704 67 G HN 0.395 nan 8.290 nan 0.000 0.487 68 M N 1.242 120.799 119.600 -0.072 0.000 2.252 68 M HA 0.319 4.802 4.480 0.006 0.000 0.348 68 M C 0.945 177.147 176.300 -0.163 0.000 1.334 68 M CA 1.039 56.294 55.300 -0.075 0.000 1.071 68 M CB 0.124 32.699 32.600 -0.042 0.000 1.763 68 M HN 0.234 nan 8.290 nan 0.000 0.452 69 N N 2.641 121.206 118.700 -0.225 0.000 2.407 69 N HA 0.190 4.934 4.740 0.006 0.000 0.182 69 N C -1.073 174.227 175.510 -0.350 0.000 1.079 69 N CA -0.189 52.544 53.050 -0.529 0.000 0.882 69 N CB 1.008 39.039 38.487 -0.760 0.000 1.106 69 N HN 0.409 nan 8.380 nan 0.000 0.461 70 V N 0.810 120.649 119.914 -0.125 0.000 2.686 70 V HA 0.659 4.783 4.120 0.006 0.000 0.306 70 V C -1.028 175.080 176.094 0.024 0.000 1.065 70 V CA -1.211 61.085 62.300 -0.006 0.000 0.894 70 V CB 1.655 33.529 31.823 0.086 0.000 1.004 70 V HN 0.083 nan 8.190 nan 0.000 0.424 71 A N 4.683 127.517 122.820 0.024 0.000 2.252 71 A HA 0.719 5.043 4.320 0.006 0.000 0.309 71 A C 0.030 177.637 177.584 0.039 0.000 1.285 71 A CA -0.482 51.579 52.037 0.040 0.000 0.900 71 A CB 0.355 19.377 19.000 0.036 0.000 1.157 71 A HN 0.854 nan 8.150 nan 0.000 0.536 72 R N 3.648 124.195 120.500 0.079 0.000 2.229 72 R HA 0.555 4.898 4.340 0.006 0.000 0.328 72 R C -0.963 175.407 176.300 0.117 0.000 1.009 72 R CA -0.305 55.841 56.100 0.076 0.000 0.864 72 R CB 0.509 30.930 30.300 0.203 0.000 1.085 72 R HN 0.771 nan 8.270 nan 0.000 0.453 73 M N 3.871 123.537 119.600 0.109 0.000 2.129 73 M HA 0.206 4.689 4.480 0.006 0.000 0.348 73 M C -0.258 176.181 176.300 0.232 0.000 1.116 73 M CA -0.738 54.686 55.300 0.207 0.000 1.022 73 M CB 1.435 34.193 32.600 0.264 0.000 1.599 73 M HN 0.406 nan 8.290 nan 0.000 0.449 74 N N 2.557 121.411 118.700 0.257 0.000 2.469 74 N HA 0.203 4.946 4.740 0.006 0.000 0.239 74 N C -0.533 175.116 175.510 0.232 0.000 1.053 74 N CA -0.207 52.998 53.050 0.258 0.000 0.937 74 N CB 0.271 38.915 38.487 0.263 0.000 1.163 74 N HN 0.483 nan 8.380 nan 0.000 0.509 75 F N 1.243 121.164 119.950 -0.048 0.000 2.816 75 F HA 0.090 4.620 4.527 0.006 0.000 0.302 75 F C 2.057 177.863 175.800 0.010 0.000 1.178 75 F CA 0.131 58.108 58.000 -0.038 0.000 1.421 75 F CB -0.106 38.840 39.000 -0.089 0.000 1.114 75 F HN 0.452 nan 8.300 nan 0.000 0.573 76 S N -1.430 114.303 115.700 0.054 0.000 2.469 76 S HA -0.108 4.365 4.470 0.006 0.000 0.238 76 S C 0.115 174.403 174.600 -0.521 0.000 0.998 76 S CA 0.960 59.015 58.200 -0.242 0.000 0.957 76 S CB -0.480 62.485 63.200 -0.392 0.000 0.764 76 S HN 0.448 nan 8.310 nan 0.000 0.514 77 H N -1.429 117.707 119.070 0.111 0.000 2.980 77 H HA 0.597 5.157 4.556 0.006 0.000 0.367 77 H C 0.235 175.547 175.328 -0.026 0.000 1.206 77 H CA -0.236 55.822 56.048 0.016 0.000 1.126 77 H CB 1.364 31.107 29.762 -0.033 0.000 1.838 77 H HN 0.203 nan 8.280 nan 0.000 0.552 78 G N 0.598 109.346 108.800 -0.087 0.000 2.705 78 G HA2 -0.025 3.939 3.960 0.006 0.000 0.686 78 G HA3 -0.025 3.939 3.960 0.006 0.000 0.686 78 G C -0.053 174.736 174.900 -0.184 0.000 1.285 78 G CA -0.503 44.370 45.100 -0.378 0.000 0.800 78 G HN 0.905 nan 8.290 nan 0.000 0.611 79 T N -1.726 112.722 114.554 -0.177 0.000 2.881 79 T HA 0.563 4.917 4.350 0.006 0.000 0.278 79 T C 1.344 176.052 174.700 0.013 0.000 0.982 79 T CA 0.463 62.522 62.100 -0.070 0.000 0.989 79 T CB 1.301 70.135 68.868 -0.057 0.000 1.058 79 T HN 0.685 nan 8.240 nan 0.000 0.529 80 H N -0.465 118.487 119.070 -0.196 0.000 2.387 80 H HA -0.105 4.455 4.556 0.006 0.000 0.299 80 H C 2.292 177.540 175.328 -0.134 0.000 1.099 80 H CA 1.497 57.279 56.048 -0.442 0.000 1.315 80 H CB 0.242 29.558 29.762 -0.743 0.000 1.380 80 H HN 0.848 nan 8.280 nan 0.000 0.513 81 E N 0.757 121.009 120.200 0.086 0.000 2.058 81 E HA -0.260 4.093 4.350 0.006 0.000 0.194 81 E C 2.016 178.670 176.600 0.090 0.000 0.997 81 E CA 1.283 57.745 56.400 0.103 0.000 0.801 81 E CB -0.208 29.533 29.700 0.069 0.000 0.746 81 E HN 0.488 nan 8.360 nan 0.000 0.450 82 Y N 0.990 121.233 120.300 -0.096 0.000 2.097 82 Y HA -0.295 4.258 4.550 0.006 0.000 0.282 82 Y C 2.377 178.178 175.900 -0.166 0.000 1.152 82 Y CA 2.390 60.378 58.100 -0.187 0.000 1.136 82 Y CB -0.348 37.901 38.460 -0.352 0.000 0.975 82 Y HN 0.224 nan 8.280 nan 0.000 0.498 83 H N -0.590 118.507 119.070 0.046 0.000 2.389 83 H HA -0.011 4.548 4.556 0.006 0.000 0.299 83 H C 2.351 177.762 175.328 0.138 0.000 1.081 83 H CA 1.100 57.157 56.048 0.014 0.000 1.345 83 H CB -0.707 29.006 29.762 -0.082 0.000 1.393 83 H HN 0.522 nan 8.280 nan 0.000 0.520 84 A N 1.079 124.129 122.820 0.382 0.000 1.902 84 A HA -0.214 4.109 4.320 0.006 0.000 0.217 84 A C 2.382 180.032 177.584 0.110 0.000 1.181 84 A CA 1.845 54.072 52.037 0.318 0.000 0.623 84 A CB -0.429 18.804 19.000 0.388 0.000 0.818 84 A HN 0.509 nan 8.150 nan 0.000 0.443 85 E N -0.764 119.447 120.200 0.019 0.000 2.072 85 E HA -0.149 4.205 4.350 0.006 0.000 0.191 85 E C 1.964 178.504 176.600 -0.099 0.000 0.985 85 E CA 1.626 57.992 56.400 -0.057 0.000 0.801 85 E CB -0.167 29.471 29.700 -0.105 0.000 0.750 85 E HN 0.559 nan 8.360 nan 0.000 0.452 86 T N 1.212 115.658 114.554 -0.179 0.000 2.684 86 T HA -0.159 4.194 4.350 0.006 0.000 0.267 86 T C 1.889 176.578 174.700 -0.019 0.000 1.036 86 T CA 1.495 63.512 62.100 -0.138 0.000 1.148 86 T CB -0.249 68.515 68.868 -0.174 0.000 0.863 86 T HN 0.185 nan 8.240 nan 0.000 0.436 87 I N 0.949 121.541 120.570 0.036 0.000 2.208 87 I HA -0.213 3.961 4.170 0.006 0.000 0.245 87 I C 2.659 178.791 176.117 0.025 0.000 1.097 87 I CA 1.357 62.684 61.300 0.046 0.000 1.363 87 I CB -0.346 37.692 38.000 0.062 0.000 1.051 87 I HN 0.205 nan 8.210 nan 0.000 0.413 88 K N 1.034 121.444 120.400 0.018 0.000 2.032 88 K HA -0.243 4.081 4.320 0.006 0.000 0.209 88 K C 1.928 178.533 176.600 0.008 0.000 1.048 88 K CA 1.992 58.286 56.287 0.012 0.000 0.927 88 K CB -0.090 32.416 32.500 0.009 0.000 0.712 88 K HN 0.256 nan 8.250 nan 0.000 0.441 89 N N 0.564 119.262 118.700 -0.004 0.000 2.120 89 N HA -0.138 4.606 4.740 0.006 0.000 0.188 89 N C 1.837 177.355 175.510 0.014 0.000 1.024 89 N CA 1.187 54.235 53.050 -0.004 0.000 0.852 89 N CB -0.475 37.998 38.487 -0.022 0.000 1.003 89 N HN 0.010 nan 8.380 nan 0.000 0.424 90 V N 1.414 121.340 119.914 0.021 0.000 2.287 90 V HA -0.226 3.897 4.120 0.006 0.000 0.248 90 V C 2.292 178.418 176.094 0.053 0.000 1.053 90 V CA 1.637 63.960 62.300 0.038 0.000 1.027 90 V CB -0.379 31.466 31.823 0.037 0.000 0.646 90 V HN 0.286 nan 8.190 nan 0.000 0.447 91 R N -0.505 120.025 120.500 0.049 0.000 2.092 91 R HA -0.115 4.228 4.340 0.006 0.000 0.231 91 R C 2.414 178.753 176.300 0.064 0.000 1.119 91 R CA 1.813 57.952 56.100 0.065 0.000 0.970 91 R CB -0.680 29.651 30.300 0.052 0.000 0.864 91 R HN 0.507 nan 8.270 nan 0.000 0.440 92 T N 0.922 115.498 114.554 0.036 0.000 2.708 92 T HA -0.161 4.193 4.350 0.006 0.000 0.266 92 T C 1.962 176.669 174.700 0.011 0.000 1.037 92 T CA 1.501 63.611 62.100 0.017 0.000 1.146 92 T CB -0.273 68.594 68.868 -0.000 0.000 0.865 92 T HN 0.383 nan 8.240 nan 0.000 0.435 93 A N 1.384 124.220 122.820 0.027 0.000 1.877 93 A HA -0.140 4.184 4.320 0.006 0.000 0.216 93 A C 2.579 180.239 177.584 0.126 0.000 1.186 93 A CA 2.192 54.252 52.037 0.040 0.000 0.620 93 A CB -1.349 17.698 19.000 0.078 0.000 0.822 93 A HN 0.481 nan 8.150 nan 0.000 0.443 94 T N 0.173 114.829 114.554 0.170 0.000 2.684 94 T HA -0.120 4.234 4.350 0.006 0.000 0.267 94 T C 1.668 176.586 174.700 0.363 0.000 1.036 94 T CA 1.581 63.834 62.100 0.255 0.000 1.148 94 T CB -0.258 68.712 68.868 0.170 0.000 0.863 94 T HN 0.457 nan 8.240 nan 0.000 0.436 95 E N 1.432 121.773 120.200 0.236 0.000 2.418 95 E HA -0.014 4.340 4.350 0.006 0.000 0.197 95 E C 2.462 179.112 176.600 0.085 0.000 1.026 95 E CA 0.619 57.140 56.400 0.202 0.000 0.862 95 E CB -0.468 29.294 29.700 0.103 0.000 0.799 95 E HN 0.661 nan 8.360 nan 0.000 0.518 96 S N -0.205 115.466 115.700 -0.049 0.000 2.469 96 S HA -0.104 4.370 4.470 0.006 0.000 0.238 96 S C 1.432 175.829 174.600 -0.338 0.000 0.998 96 S CA 0.570 58.612 58.200 -0.263 0.000 0.957 96 S CB -0.403 62.523 63.200 -0.458 0.000 0.764 96 S HN 0.128 nan 8.310 nan 0.000 0.514 97 F N 1.137 121.170 119.950 0.138 0.000 2.727 97 F HA 0.579 5.111 4.527 0.007 0.000 0.302 97 F C 2.249 178.192 175.800 0.239 0.000 1.097 97 F CA -0.327 57.774 58.000 0.169 0.000 1.330 97 F CB -0.336 38.754 39.000 0.150 0.000 1.084 97 F HN 0.280 nan 8.300 nan 0.000 0.578 98 A N -0.059 122.930 122.820 0.281 0.000 2.119 98 A HA -0.105 4.219 4.320 0.006 0.000 0.217 98 A C 2.288 179.854 177.584 -0.029 0.000 1.153 98 A CA 1.440 53.468 52.037 -0.014 0.000 0.692 98 A CB -0.871 18.007 19.000 -0.205 0.000 0.799 98 A HN 0.339 nan 8.150 nan 0.000 0.458 99 S N -0.766 114.953 115.700 0.033 0.000 2.474 99 S HA -0.074 4.400 4.470 0.006 0.000 0.235 99 S C 0.451 175.070 174.600 0.031 0.000 0.997 99 S CA 0.872 59.080 58.200 0.014 0.000 0.949 99 S CB -0.142 63.066 63.200 0.013 0.000 0.766 99 S HN 0.423 nan 8.310 nan 0.000 0.517 100 D N 1.773 122.218 120.400 0.076 0.000 2.446 100 D HA 0.429 5.073 4.640 0.006 0.000 0.251 100 D C -2.316 174.044 176.300 0.099 0.000 1.137 100 D CA -2.524 51.523 54.000 0.078 0.000 0.890 100 D CB 1.854 42.711 40.800 0.094 0.000 1.071 100 D HN -0.032 nan 8.370 nan 0.000 0.528 101 P HA 0.047 nan 4.420 nan 0.000 0.226 101 P C 1.477 178.832 177.300 0.092 0.000 1.153 101 P CA 0.538 63.673 63.100 0.059 0.000 0.777 101 P CB 0.436 32.141 31.700 0.009 0.000 0.794 102 I N -1.633 118.979 120.570 0.070 0.000 2.617 102 I HA -0.110 4.064 4.170 0.006 0.000 0.256 102 I C 1.888 178.042 176.117 0.062 0.000 1.167 102 I CA 1.153 62.486 61.300 0.054 0.000 1.469 102 I CB -0.196 37.818 38.000 0.023 0.000 1.098 102 I HN -0.095 nan 8.210 nan 0.000 0.436 103 L N -1.303 119.970 121.223 0.082 0.000 2.609 103 L HA 0.095 4.439 4.340 0.006 0.000 0.230 103 L C 0.620 177.535 176.870 0.073 0.000 1.087 103 L CA -0.352 54.524 54.840 0.060 0.000 0.874 103 L CB -0.100 41.986 42.059 0.045 0.000 1.114 103 L HN 0.107 nan 8.230 nan 0.000 0.488 104 Y N 3.106 123.416 120.300 0.017 0.000 2.805 104 Y HA -0.015 4.539 4.550 0.007 0.000 0.331 104 Y C 0.221 176.095 175.900 -0.044 0.000 1.241 104 Y CA -0.126 57.985 58.100 0.018 0.000 1.546 104 Y CB 0.256 38.737 38.460 0.034 0.000 1.248 104 Y HN -0.019 nan 8.280 nan 0.000 0.559 105 R N 7.892 127.971 120.500 -0.702 0.000 2.310 105 R HA 0.352 4.696 4.340 0.006 0.000 0.324 105 R C -2.727 173.061 176.300 -0.853 0.000 0.955 105 R CA -2.719 52.997 56.100 -0.641 0.000 0.830 105 R CB 0.678 30.724 30.300 -0.424 0.000 1.154 105 R HN 0.530 nan 8.270 nan 0.000 0.458 106 P HA 0.073 nan 4.420 nan 0.000 0.268 106 P C -0.538 176.762 177.300 0.001 0.000 1.205 106 P CA -0.131 62.830 63.100 -0.233 0.000 0.771 106 P CB 0.694 32.360 31.700 -0.057 0.000 0.858 107 V N 2.267 122.192 119.914 0.019 0.000 2.577 107 V HA 0.600 4.724 4.120 0.006 0.000 0.303 107 V C 0.218 176.363 176.094 0.085 0.000 1.042 107 V CA -0.843 61.473 62.300 0.026 0.000 0.872 107 V CB 1.592 33.400 31.823 -0.024 0.000 0.998 107 V HN 0.677 nan 8.190 nan 0.000 0.423 108 A N 4.464 127.352 122.820 0.113 0.000 2.286 108 A HA 0.844 5.168 4.320 0.006 0.000 0.286 108 A C -0.519 177.088 177.584 0.040 0.000 1.097 108 A CA -0.458 51.640 52.037 0.102 0.000 0.821 108 A CB 1.200 20.292 19.000 0.152 0.000 1.076 108 A HN 0.713 nan 8.150 nan 0.000 0.490 109 V N 0.888 120.808 119.914 0.010 0.000 2.409 109 V HA 0.640 4.763 4.120 0.006 0.000 0.291 109 V C 0.287 176.316 176.094 -0.109 0.000 1.020 109 V CA -0.145 62.138 62.300 -0.028 0.000 0.848 109 V CB 1.195 33.009 31.823 -0.015 0.000 0.990 109 V HN 1.198 nan 8.190 nan 0.000 0.430 110 A N 5.265 127.969 122.820 -0.193 0.000 2.342 110 A HA 0.862 5.186 4.320 0.006 0.000 0.323 110 A C -0.996 176.352 177.584 -0.394 0.000 1.125 110 A CA -0.558 51.198 52.037 -0.468 0.000 0.785 110 A CB 1.317 19.734 19.000 -0.972 0.000 1.221 110 A HN 0.891 nan 8.150 nan 0.000 0.463 111 L N 2.482 123.451 121.223 -0.423 0.000 2.287 111 L HA 0.439 4.782 4.340 0.006 0.000 0.287 111 L C -0.970 175.712 176.870 -0.314 0.000 1.022 111 L CA -0.511 54.131 54.840 -0.330 0.000 0.814 111 L CB 1.024 42.822 42.059 -0.436 0.000 1.217 111 L HN 0.726 nan 8.230 nan 0.000 0.420 112 D N 4.029 124.361 120.400 -0.114 0.000 2.349 112 D HA 0.181 4.825 4.640 0.006 0.000 0.232 112 D C -0.206 176.128 176.300 0.057 0.000 1.071 112 D CA -0.190 53.834 54.000 0.040 0.000 0.832 112 D CB 1.544 42.456 40.800 0.187 0.000 1.086 112 D HN 0.609 nan 8.370 nan 0.000 0.504 113 T N 0.966 115.533 114.554 0.022 0.000 2.860 113 T HA 0.114 4.468 4.350 0.006 0.000 0.299 113 T C 1.323 176.082 174.700 0.099 0.000 1.045 113 T CA -0.442 61.676 62.100 0.031 0.000 1.071 113 T CB 1.998 70.874 68.868 0.014 0.000 0.985 113 T HN 0.427 nan 8.240 nan 0.000 0.537 114 K N 1.741 122.215 120.400 0.125 0.000 2.001 114 K HA 0.153 4.477 4.320 0.006 0.000 0.208 114 K C 1.305 178.011 176.600 0.176 0.000 1.048 114 K CA 1.281 57.643 56.287 0.124 0.000 0.932 114 K CB -1.115 31.448 32.500 0.104 0.000 0.715 114 K HN 1.149 nan 8.250 nan 0.000 0.437 115 G N 0.227 109.118 108.800 0.153 0.000 2.698 115 G HA2 -0.209 3.755 3.960 0.006 0.000 0.233 115 G HA3 -0.209 3.755 3.960 0.006 0.000 0.233 115 G C -2.405 172.571 174.900 0.126 0.000 1.352 115 G CA -0.148 45.071 45.100 0.199 0.000 0.879 115 G HN 0.295 nan 8.290 nan 0.000 0.567 116 P HA 0.210 nan 4.420 nan 0.000 0.226 116 P C 0.066 177.130 177.300 -0.393 0.000 1.783 116 P CA 0.247 63.229 63.100 -0.197 0.000 0.980 116 P CB -0.263 31.284 31.700 -0.255 0.000 1.967 117 E N 1.028 121.119 120.200 -0.182 0.000 2.383 117 E HA 0.264 4.618 4.350 0.006 0.000 0.264 117 E C 0.208 176.700 176.600 -0.180 0.000 1.050 117 E CA -0.375 55.929 56.400 -0.161 0.000 0.896 117 E CB 0.849 30.565 29.700 0.027 0.000 0.982 117 E HN 0.342 nan 8.360 nan 0.000 0.424 118 I N 2.770 123.241 120.570 -0.165 0.000 2.404 118 I HA 0.383 4.556 4.170 0.006 0.000 0.293 118 I C 0.145 176.252 176.117 -0.018 0.000 0.992 118 I CA -0.528 60.709 61.300 -0.105 0.000 1.149 118 I CB 1.231 39.161 38.000 -0.115 0.000 1.315 118 I HN 0.245 nan 8.210 nan 0.000 0.446 119 R N 2.755 123.261 120.500 0.009 0.000 2.771 119 R HA 0.541 4.884 4.340 0.006 0.000 0.274 119 R C -0.493 175.854 176.300 0.078 0.000 0.987 119 R CA -0.799 55.342 56.100 0.069 0.000 0.908 119 R CB 2.595 32.964 30.300 0.114 0.000 1.213 119 R HN 0.741 nan 8.270 nan 0.000 0.468 120 T N -1.412 113.219 114.554 0.128 0.000 2.770 120 T HA 0.469 4.823 4.350 0.006 0.000 0.281 120 T C 0.833 175.751 174.700 0.362 0.000 0.981 120 T CA -0.470 61.743 62.100 0.189 0.000 0.955 120 T CB 1.262 70.222 68.868 0.154 0.000 1.060 120 T HN 0.600 nan 8.240 nan 0.000 0.531 121 G N -0.491 108.616 108.800 0.512 0.000 2.543 121 G HA2 0.570 4.534 3.960 0.006 0.000 0.267 121 G HA3 0.570 4.534 3.960 0.006 0.000 0.267 121 G C -0.524 174.491 174.900 0.192 0.000 1.406 121 G CA -1.260 44.090 45.100 0.416 0.000 1.048 121 G HN 0.823 nan 8.290 nan 0.000 0.548 122 L N 0.735 122.009 121.223 0.085 0.000 2.350 122 L HA 0.277 4.621 4.340 0.006 0.000 0.275 122 L C 0.155 177.063 176.870 0.064 0.000 1.099 122 L CA -0.895 53.979 54.840 0.057 0.000 0.808 122 L CB 1.219 43.283 42.059 0.008 0.000 1.149 122 L HN 0.213 nan 8.230 nan 0.000 0.442 123 I N 2.701 123.310 120.570 0.065 0.000 2.752 123 I HA -0.038 4.136 4.170 0.006 0.000 0.287 123 I C 0.775 176.918 176.117 0.044 0.000 1.188 123 I CA 0.001 61.340 61.300 0.064 0.000 1.427 123 I CB 0.396 38.435 38.000 0.064 0.000 1.365 123 I HN 0.667 nan 8.210 nan 0.000 0.585 124 K N 4.372 124.800 120.400 0.048 0.000 2.440 124 K HA 0.095 4.419 4.320 0.006 0.000 0.270 124 K C 1.129 177.741 176.600 0.021 0.000 0.980 124 K CA 0.186 56.492 56.287 0.031 0.000 0.953 124 K CB 0.161 32.686 32.500 0.041 0.000 0.925 124 K HN 0.704 nan 8.250 nan 0.000 0.497 125 G N 1.518 110.322 108.800 0.007 0.000 2.418 125 G HA2 -0.245 3.719 3.960 0.006 0.000 0.217 125 G HA3 -0.245 3.719 3.960 0.006 0.000 0.217 125 G C 0.542 175.448 174.900 0.009 0.000 1.158 125 G CA 0.744 45.846 45.100 0.003 0.000 0.771 125 G HN 0.848 nan 8.290 nan 0.000 0.545 126 S N -0.383 115.324 115.700 0.011 0.000 2.614 126 S HA 0.551 5.025 4.470 0.006 0.000 0.265 126 S C 0.821 175.435 174.600 0.022 0.000 1.303 126 S CA 0.324 58.532 58.200 0.013 0.000 1.000 126 S CB 1.108 64.315 63.200 0.012 0.000 0.935 126 S HN 1.837 nan 8.310 nan 0.000 0.551 127 G N 1.017 109.830 108.800 0.022 0.000 2.698 127 G HA2 -0.103 3.861 3.960 0.006 0.000 0.233 127 G HA3 -0.103 3.861 3.960 0.006 0.000 0.233 127 G C 0.054 174.975 174.900 0.034 0.000 1.352 127 G CA -0.191 44.927 45.100 0.030 0.000 0.879 127 G HN 2.013 nan 8.290 nan 0.000 0.567 128 T N -1.457 113.125 114.554 0.047 0.000 2.856 128 T HA 0.602 4.956 4.350 0.006 0.000 0.306 128 T C 1.838 176.571 174.700 0.054 0.000 1.062 128 T CA 0.849 62.981 62.100 0.053 0.000 1.083 128 T CB 1.322 70.238 68.868 0.080 0.000 0.984 128 T HN 2.195 nan 8.240 nan 0.000 0.542 129 A N 1.295 124.142 122.820 0.044 0.000 1.902 129 A HA 0.067 4.391 4.320 0.006 0.000 0.217 129 A C 0.988 178.611 177.584 0.064 0.000 1.181 129 A CA 0.981 53.041 52.037 0.040 0.000 0.623 129 A CB -0.581 18.431 19.000 0.020 0.000 0.818 129 A HN 0.904 nan 8.150 nan 0.000 0.443 130 E N -1.365 118.892 120.200 0.095 0.000 2.221 130 E HA 0.491 4.845 4.350 0.006 0.000 0.268 130 E C -0.771 175.949 176.600 0.200 0.000 0.933 130 E CA -0.565 55.926 56.400 0.153 0.000 0.809 130 E CB 2.364 32.184 29.700 0.199 0.000 1.190 130 E HN 0.298 nan 8.360 nan 0.000 0.406 131 V N -1.153 118.860 119.914 0.165 0.000 2.547 131 V HA 0.466 4.590 4.120 0.006 0.000 0.299 131 V C -0.167 175.941 176.094 0.023 0.000 1.040 131 V CA -0.796 61.568 62.300 0.108 0.000 0.913 131 V CB 1.664 33.519 31.823 0.054 0.000 0.992 131 V HN 0.698 nan 8.190 nan 0.000 0.449 132 E N 3.404 123.527 120.200 -0.128 0.000 2.194 132 E HA 0.422 4.776 4.350 0.006 0.000 0.284 132 E C -1.054 175.373 176.600 -0.289 0.000 1.035 132 E CA -0.566 55.526 56.400 -0.515 0.000 0.836 132 E CB 1.099 30.363 29.700 -0.727 0.000 1.070 132 E HN 0.779 nan 8.360 nan 0.000 0.401 133 L N 5.621 126.681 121.223 -0.271 0.000 2.259 133 L HA 0.325 4.669 4.340 0.006 0.000 0.288 133 L C 0.049 176.816 176.870 -0.173 0.000 1.051 133 L CA -0.384 54.359 54.840 -0.161 0.000 0.824 133 L CB 0.628 42.626 42.059 -0.102 0.000 1.206 133 L HN 0.344 nan 8.230 nan 0.000 0.429 134 K N 3.315 123.633 120.400 -0.138 0.000 2.172 134 K HA 0.254 4.578 4.320 0.006 0.000 0.276 134 K C -0.118 176.436 176.600 -0.076 0.000 1.013 134 K CA -0.806 55.413 56.287 -0.114 0.000 0.913 134 K CB 1.746 34.188 32.500 -0.095 0.000 1.055 134 K HN 0.329 nan 8.250 nan 0.000 0.461 135 K N 1.062 121.425 120.400 -0.062 0.000 2.504 135 K HA -0.140 4.184 4.320 0.006 0.000 0.278 135 K C 0.762 177.339 176.600 -0.038 0.000 1.025 135 K CA 1.409 57.669 56.287 -0.044 0.000 1.093 135 K CB -0.072 32.410 32.500 -0.030 0.000 0.873 135 K HN 0.844 nan 8.250 nan 0.000 0.483 136 G N 1.949 110.727 108.800 -0.036 0.000 2.253 136 G HA2 -0.308 3.656 3.960 0.006 0.000 0.251 136 G HA3 -0.308 3.656 3.960 0.006 0.000 0.251 136 G C 0.170 175.051 174.900 -0.032 0.000 0.998 136 G CA 0.108 45.190 45.100 -0.030 0.000 0.621 136 G HN 0.952 nan 8.290 nan 0.000 0.524 137 A N 0.287 123.083 122.820 -0.039 0.000 2.386 137 A HA 0.674 4.998 4.320 0.006 0.000 0.248 137 A C 0.785 178.346 177.584 -0.038 0.000 1.082 137 A CA 1.160 53.174 52.037 -0.039 0.000 0.789 137 A CB 0.316 19.288 19.000 -0.047 0.000 1.025 137 A HN 0.748 nan 8.150 nan 0.000 0.490 138 T N 1.026 115.559 114.554 -0.035 0.000 2.910 138 T HA 0.475 4.829 4.350 0.006 0.000 0.293 138 T C -0.575 174.102 174.700 -0.039 0.000 1.015 138 T CA 0.276 62.356 62.100 -0.034 0.000 1.094 138 T CB 0.568 69.418 68.868 -0.030 0.000 0.968 138 T HN 0.642 nan 8.240 nan 0.000 0.521 139 L N 2.682 123.882 121.223 -0.038 0.000 2.505 139 L HA 0.493 4.837 4.340 0.006 0.000 0.266 139 L C -0.757 176.090 176.870 -0.038 0.000 0.954 139 L CA -0.615 54.200 54.840 -0.041 0.000 0.852 139 L CB 1.774 43.810 42.059 -0.039 0.000 1.282 139 L HN 0.522 nan 8.230 nan 0.000 0.403 140 K N 5.553 125.920 120.400 -0.055 0.000 2.227 140 K HA 0.555 4.879 4.320 0.006 0.000 0.280 140 K C -1.016 175.554 176.600 -0.051 0.000 1.041 140 K CA -0.466 55.788 56.287 -0.056 0.000 0.905 140 K CB 0.746 33.172 32.500 -0.124 0.000 1.068 140 K HN 0.731 nan 8.250 nan 0.000 0.470 141 I N 3.320 123.882 120.570 -0.013 0.000 2.331 141 I HA 0.113 4.287 4.170 0.006 0.000 0.292 141 I C 0.366 176.483 176.117 -0.000 0.000 0.998 141 I CA -0.280 61.008 61.300 -0.020 0.000 1.267 141 I CB 1.822 39.804 38.000 -0.029 0.000 1.386 141 I HN 0.624 nan 8.210 nan 0.000 0.476 142 T N 5.468 120.010 114.554 -0.020 0.000 2.924 142 T HA 0.537 4.891 4.350 0.006 0.000 0.291 142 T C 0.263 174.963 174.700 0.001 0.000 1.045 142 T CA -0.403 61.711 62.100 0.024 0.000 1.015 142 T CB 1.300 70.150 68.868 -0.028 0.000 1.103 142 T HN 0.376 nan 8.240 nan 0.000 0.496 143 L N 1.960 123.219 121.223 0.059 0.000 2.766 143 L HA 0.392 4.736 4.340 0.006 0.000 0.242 143 L C 0.667 177.736 176.870 0.333 0.000 1.136 143 L CA 0.013 54.859 54.840 0.009 0.000 0.933 143 L CB 0.197 42.235 42.059 -0.036 0.000 1.241 143 L HN 0.575 nan 8.230 nan 0.000 0.522 144 D N 0.276 120.911 120.400 0.392 0.000 2.363 144 D HA -0.060 4.584 4.640 0.006 0.000 0.263 144 D C 0.955 177.541 176.300 0.477 0.000 1.258 144 D CA 0.317 54.558 54.000 0.401 0.000 0.907 144 D CB 0.631 41.662 40.800 0.384 0.000 1.107 144 D HN -0.015 nan 8.370 nan 0.000 0.495 145 N N 3.108 121.997 118.700 0.315 0.000 2.519 145 N HA -0.113 4.631 4.740 0.006 0.000 0.186 145 N C 1.464 176.884 175.510 -0.151 0.000 1.062 145 N CA 0.782 53.850 53.050 0.030 0.000 0.910 145 N CB -0.110 38.406 38.487 0.048 0.000 0.958 145 N HN 0.546 nan 8.380 nan 0.000 0.445 146 A N -0.465 122.319 122.820 -0.061 0.000 2.070 146 A HA -0.131 4.193 4.320 0.006 0.000 0.220 146 A C 1.103 178.466 177.584 -0.368 0.000 1.159 146 A CA 0.993 52.895 52.037 -0.223 0.000 0.656 146 A CB -0.525 18.317 19.000 -0.263 0.000 0.800 146 A HN 0.352 nan 8.150 nan 0.000 0.453 147 Y N -0.377 119.857 120.300 -0.110 0.000 2.458 147 Y HA 0.154 4.707 4.550 0.006 0.000 0.256 147 Y C 2.157 177.907 175.900 -0.251 0.000 1.159 147 Y CA 0.325 58.373 58.100 -0.085 0.000 1.261 147 Y CB -0.345 38.161 38.460 0.076 0.000 1.119 147 Y HN 0.473 nan 8.280 nan 0.000 0.524 148 M N -0.990 118.267 119.600 -0.572 0.000 2.358 148 M HA -0.088 4.396 4.480 0.006 0.000 0.264 148 M C 0.262 176.288 176.300 -0.457 0.000 1.064 148 M CA 1.973 56.607 55.300 -1.110 0.000 1.093 148 M CB -0.104 31.431 32.600 -1.775 0.000 1.401 148 M HN 0.142 nan 8.290 nan 0.000 0.440 149 E N 0.635 120.679 120.200 -0.259 0.000 2.734 149 E HA 0.201 4.555 4.350 0.006 0.000 0.211 149 E C -0.306 176.264 176.600 -0.050 0.000 0.991 149 E CA -0.069 56.255 56.400 -0.126 0.000 1.065 149 E CB 0.636 30.258 29.700 -0.130 0.000 1.047 149 E HN 0.523 nan 8.360 nan 0.000 0.470 150 K N 0.590 120.990 120.400 -0.001 0.000 2.826 150 K HA 0.237 4.561 4.320 0.006 0.000 0.206 150 K C -0.585 176.109 176.600 0.158 0.000 1.116 150 K CA -0.291 56.034 56.287 0.063 0.000 1.045 150 K CB 0.576 33.087 32.500 0.019 0.000 0.758 150 K HN 0.030 nan 8.250 nan 0.000 0.465 151 C N 2.746 122.130 119.300 0.141 0.000 2.662 151 C HA 0.146 4.610 4.460 0.006 0.000 0.420 151 C C 0.655 175.707 174.990 0.103 0.000 1.314 151 C CA -0.178 58.928 59.018 0.146 0.000 1.963 151 C CB -0.557 27.274 27.740 0.153 0.000 2.686 151 C HN 0.669 nan 8.230 nan 0.000 0.609 152 D N 0.755 121.204 120.400 0.082 0.000 3.057 152 D HA 0.141 4.785 4.640 0.006 0.000 0.328 152 D C 0.539 176.856 176.300 0.030 0.000 1.317 152 D CA -0.549 53.485 54.000 0.056 0.000 0.973 152 D CB -0.018 40.815 40.800 0.055 0.000 1.424 152 D HN 0.500 nan 8.370 nan 0.000 0.569 153 E N -0.213 119.996 120.200 0.015 0.000 2.516 153 E HA -0.074 4.280 4.350 0.006 0.000 0.199 153 E C -0.060 176.528 176.600 -0.020 0.000 1.069 153 E CA 0.677 57.071 56.400 -0.010 0.000 0.876 153 E CB -0.303 29.385 29.700 -0.020 0.000 0.843 153 E HN 0.344 nan 8.360 nan 0.000 0.530 154 N N 0.354 119.044 118.700 -0.016 0.000 2.510 154 N HA 0.205 4.949 4.740 0.006 0.000 0.186 154 N C 0.211 175.682 175.510 -0.065 0.000 1.051 154 N CA 0.099 53.127 53.050 -0.037 0.000 0.877 154 N CB 1.416 39.885 38.487 -0.030 0.000 1.183 154 N HN 0.188 nan 8.380 nan 0.000 0.443 155 I N 1.182 121.715 120.570 -0.062 0.000 2.534 155 I HA 0.322 4.496 4.170 0.006 0.000 0.288 155 I C -1.883 174.215 176.117 -0.032 0.000 1.077 155 I CA -0.866 60.361 61.300 -0.122 0.000 1.051 155 I CB 1.858 39.667 38.000 -0.318 0.000 1.234 155 I HN -0.234 nan 8.210 nan 0.000 0.425 156 L N 8.654 129.870 121.223 -0.011 0.000 2.349 156 L HA 0.521 4.865 4.340 0.006 0.000 0.278 156 L C -1.531 175.414 176.870 0.125 0.000 0.996 156 L CA -0.151 54.732 54.840 0.071 0.000 0.825 156 L CB 1.314 43.398 42.059 0.041 0.000 1.243 156 L HN 0.715 nan 8.230 nan 0.000 0.412 157 W N 7.330 128.645 121.300 0.024 0.000 2.316 157 W HA 0.599 5.262 4.660 0.006 0.000 0.321 157 W C -1.254 175.298 176.519 0.054 0.000 1.203 157 W CA -0.443 56.931 57.345 0.049 0.000 1.214 157 W CB 1.167 30.686 29.460 0.099 0.000 1.169 157 W HN 0.556 nan 8.180 nan 0.000 0.561 158 L N 2.510 123.267 121.223 -0.778 0.000 2.341 158 L HA 0.594 4.938 4.340 0.006 0.000 0.254 158 L C 0.006 175.980 176.870 -1.494 0.000 1.040 158 L CA -0.824 53.515 54.840 -0.836 0.000 0.837 158 L CB 1.602 43.476 42.059 -0.308 0.000 1.425 158 L HN 0.493 nan 8.230 nan 0.000 0.414 159 D N -1.393 118.502 120.400 -0.842 0.000 2.340 159 D HA 0.033 4.677 4.640 0.006 0.000 0.217 159 D C -0.097 176.114 176.300 -0.148 0.000 1.081 159 D CA 0.217 53.894 54.000 -0.538 0.000 0.842 159 D CB -0.192 40.560 40.800 -0.080 0.000 0.934 159 D HN 0.488 nan 8.370 nan 0.000 0.511 160 Y N 2.351 122.475 120.300 -0.293 0.000 2.594 160 Y HA 0.298 4.852 4.550 0.007 0.000 0.342 160 Y C 0.963 176.767 175.900 -0.160 0.000 1.010 160 Y CA -1.488 56.507 58.100 -0.176 0.000 1.270 160 Y CB 0.684 39.053 38.460 -0.151 0.000 1.125 160 Y HN -0.288 nan 8.280 nan 0.000 0.513 161 K N 3.006 123.373 120.400 -0.055 0.000 2.209 161 K HA -0.168 4.156 4.320 0.006 0.000 0.204 161 K C 0.677 177.105 176.600 -0.288 0.000 1.048 161 K CA 0.958 57.160 56.287 -0.143 0.000 0.940 161 K CB 0.120 32.605 32.500 -0.025 0.000 0.729 161 K HN 0.542 nan 8.250 nan 0.000 0.451 162 N N 0.983 119.378 118.700 -0.508 0.000 2.251 162 N HA 0.102 4.846 4.740 0.006 0.000 0.217 162 N C 1.161 176.165 175.510 -0.843 0.000 1.124 162 N CA -0.109 52.626 53.050 -0.524 0.000 0.843 162 N CB 0.014 38.362 38.487 -0.231 0.000 1.024 162 N HN 0.097 nan 8.380 nan 0.000 0.501 163 I N -0.422 119.484 120.570 -1.108 0.000 2.194 163 I HA -0.389 3.785 4.170 0.006 0.000 0.246 163 I C 1.328 177.234 176.117 -0.353 0.000 1.093 163 I CA 1.279 62.102 61.300 -0.794 0.000 1.355 163 I CB -0.014 37.716 38.000 -0.451 0.000 1.046 163 I HN 0.226 nan 8.210 nan 0.000 0.413 164 C N 0.604 119.732 119.300 -0.287 0.000 2.419 164 C HA -0.119 4.345 4.460 0.006 0.000 0.281 164 C C 2.498 177.393 174.990 -0.158 0.000 1.336 164 C CA 0.639 59.541 59.018 -0.194 0.000 1.770 164 C CB -1.239 26.384 27.740 -0.194 0.000 1.929 164 C HN 0.435 nan 8.230 nan 0.000 0.509 165 K N 1.063 121.361 120.400 -0.169 0.000 2.217 165 K HA -0.041 4.283 4.320 0.006 0.000 0.202 165 K C 1.756 178.312 176.600 -0.073 0.000 1.051 165 K CA 1.161 57.381 56.287 -0.112 0.000 0.952 165 K CB -0.129 32.309 32.500 -0.103 0.000 0.736 165 K HN 0.572 nan 8.250 nan 0.000 0.453 166 V N -3.619 116.254 119.914 -0.068 0.000 3.643 166 V HA 0.287 4.411 4.120 0.006 0.000 0.280 166 V C 0.458 176.549 176.094 -0.005 0.000 1.351 166 V CA -0.444 61.851 62.300 -0.007 0.000 1.073 166 V CB 0.398 32.262 31.823 0.068 0.000 0.863 166 V HN -0.201 nan 8.190 nan 0.000 0.436 167 V N 2.039 121.933 119.914 -0.033 0.000 2.667 167 V HA 0.572 4.695 4.120 0.006 0.000 0.308 167 V C -0.734 175.336 176.094 -0.040 0.000 1.048 167 V CA -0.467 61.817 62.300 -0.026 0.000 0.928 167 V CB 1.832 33.635 31.823 -0.034 0.000 1.004 167 V HN 0.487 nan 8.190 nan 0.000 0.444 168 D N 1.591 121.974 120.400 -0.029 0.000 2.374 168 D HA 0.407 5.051 4.640 0.006 0.000 0.239 168 D C -0.570 175.711 176.300 -0.031 0.000 0.991 168 D CA -0.463 53.517 54.000 -0.033 0.000 0.960 168 D CB 2.375 43.161 40.800 -0.023 0.000 1.284 168 D HN 0.212 nan 8.370 nan 0.000 0.512 169 V N 0.877 120.771 119.914 -0.033 0.000 2.584 169 V HA 0.259 4.383 4.120 0.006 0.000 0.303 169 V C 1.568 177.649 176.094 -0.020 0.000 1.035 169 V CA 1.885 64.168 62.300 -0.028 0.000 1.172 169 V CB 0.242 32.050 31.823 -0.026 0.000 0.896 169 V HN 1.029 nan 8.190 nan 0.000 0.486 170 G N 3.831 112.619 108.800 -0.020 0.000 2.234 170 G HA2 -0.243 3.721 3.960 0.006 0.000 0.235 170 G HA3 -0.243 3.721 3.960 0.006 0.000 0.235 170 G C 0.464 175.356 174.900 -0.014 0.000 0.997 170 G CA 0.103 45.194 45.100 -0.015 0.000 0.623 170 G HN 0.763 nan 8.290 nan 0.000 0.514 171 S N 2.055 117.746 115.700 -0.014 0.000 2.558 171 S HA 0.416 4.889 4.470 0.006 0.000 0.288 171 S C 0.454 175.039 174.600 -0.026 0.000 1.318 171 S CA 0.134 58.330 58.200 -0.006 0.000 1.056 171 S CB 0.818 64.016 63.200 -0.004 0.000 0.853 171 S HN 0.377 nan 8.310 nan 0.000 0.505 172 K N 2.166 122.558 120.400 -0.013 0.000 2.156 172 K HA 0.447 4.771 4.320 0.006 0.000 0.271 172 K C -0.861 175.678 176.600 -0.103 0.000 0.995 172 K CA -0.478 55.746 56.287 -0.104 0.000 0.890 172 K CB 1.389 33.838 32.500 -0.085 0.000 1.073 172 K HN 0.310 nan 8.250 nan 0.000 0.454 173 V N 4.241 124.020 119.914 -0.225 0.000 2.409 173 V HA 0.309 4.433 4.120 0.006 0.000 0.291 173 V C -0.986 174.946 176.094 -0.270 0.000 1.020 173 V CA -0.927 61.297 62.300 -0.126 0.000 0.848 173 V CB 0.669 32.449 31.823 -0.072 0.000 0.990 173 V HN 0.539 nan 8.190 nan 0.000 0.430 174 Y N 3.145 123.455 120.300 0.017 0.000 2.387 174 Y HA 0.728 5.282 4.550 0.007 0.000 0.336 174 Y C 0.091 176.007 175.900 0.027 0.000 1.067 174 Y CA -0.780 57.334 58.100 0.023 0.000 1.114 174 Y CB 2.064 40.541 38.460 0.028 0.000 1.208 174 Y HN 0.375 nan 8.280 nan 0.000 0.458 175 V N 2.019 122.029 119.914 0.160 0.000 2.709 175 V HA 0.333 4.457 4.120 0.006 0.000 0.308 175 V C -0.881 175.284 176.094 0.120 0.000 1.062 175 V CA -1.229 61.139 62.300 0.113 0.000 0.901 175 V CB 1.740 33.602 31.823 0.066 0.000 1.003 175 V HN 0.829 nan 8.190 nan 0.000 0.425 176 D N 3.780 124.247 120.400 0.112 0.000 3.437 176 D HA -0.145 4.498 4.640 0.006 0.000 0.243 176 D C 0.218 176.581 176.300 0.106 0.000 1.104 176 D CA 1.061 55.125 54.000 0.106 0.000 1.009 176 D CB -0.834 40.026 40.800 0.100 0.000 0.937 176 D HN 0.893 nan 8.370 nan 0.000 0.417 177 D N 0.761 121.223 120.400 0.103 0.000 2.837 177 D HA -0.147 4.497 4.640 0.006 0.000 0.230 177 D C 1.274 177.624 176.300 0.083 0.000 1.152 177 D CA 2.423 56.475 54.000 0.087 0.000 0.736 177 D CB -1.504 39.341 40.800 0.076 0.000 1.084 177 D HN 1.294 nan 8.370 nan 0.000 0.429 178 G N -1.060 107.809 108.800 0.115 0.000 2.166 178 G HA2 -0.376 3.587 3.960 0.006 0.000 0.260 178 G HA3 -0.376 3.587 3.960 0.006 0.000 0.260 178 G C 1.091 176.103 174.900 0.186 0.000 0.986 178 G CA 0.655 45.842 45.100 0.146 0.000 0.683 178 G HN 0.522 nan 8.290 nan 0.000 0.527 179 L N -0.902 120.408 121.223 0.145 0.000 2.270 179 L HA 0.367 4.711 4.340 0.006 0.000 0.210 179 L C 1.473 178.414 176.870 0.118 0.000 1.104 179 L CA 0.623 55.535 54.840 0.121 0.000 0.804 179 L CB 0.052 42.170 42.059 0.098 0.000 0.937 179 L HN 0.294 nan 8.230 nan 0.000 0.450 180 I N -0.583 120.056 120.570 0.115 0.000 2.441 180 I HA 0.215 4.388 4.170 0.006 0.000 0.295 180 I C -0.040 176.091 176.117 0.024 0.000 0.994 180 I CA -0.272 61.063 61.300 0.058 0.000 1.144 180 I CB 1.936 39.956 38.000 0.034 0.000 1.314 180 I HN -0.026 nan 8.210 nan 0.000 0.445 181 S N 6.833 122.487 115.700 -0.077 0.000 2.548 181 S HA 0.839 5.313 4.470 0.006 0.000 0.286 181 S C -1.034 173.426 174.600 -0.233 0.000 1.098 181 S CA -0.816 57.203 58.200 -0.303 0.000 0.930 181 S CB 1.686 64.607 63.200 -0.464 0.000 1.070 181 S HN 0.474 nan 8.310 nan 0.000 0.480 182 L N 1.685 122.742 121.223 -0.276 0.000 2.370 182 L HA 0.628 4.972 4.340 0.006 0.000 0.266 182 L C -0.443 176.326 176.870 -0.170 0.000 1.002 182 L CA -0.719 54.021 54.840 -0.168 0.000 0.818 182 L CB 2.193 44.181 42.059 -0.117 0.000 1.325 182 L HN 0.774 nan 8.230 nan 0.000 0.418 183 Q N 1.260 120.995 119.800 -0.109 0.000 2.322 183 Q HA 0.472 4.815 4.340 0.006 0.000 0.265 183 Q C -1.264 174.702 176.000 -0.056 0.000 0.985 183 Q CA -0.724 55.029 55.803 -0.083 0.000 0.849 183 Q CB 2.323 31.022 28.738 -0.064 0.000 1.274 183 Q HN 0.480 nan 8.270 nan 0.000 0.449 184 V N 5.432 125.317 119.914 -0.048 0.000 2.485 184 V HA 0.001 4.124 4.120 0.006 0.000 0.287 184 V C 0.714 176.792 176.094 -0.027 0.000 1.022 184 V CA 0.374 62.653 62.300 -0.035 0.000 1.067 184 V CB 0.824 32.625 31.823 -0.036 0.000 0.967 184 V HN 0.831 nan 8.190 nan 0.000 0.479 185 K N 2.910 123.299 120.400 -0.018 0.000 2.329 185 K HA 0.285 4.608 4.320 0.006 0.000 0.198 185 K C 0.369 176.965 176.600 -0.007 0.000 1.085 185 K CA 0.566 56.846 56.287 -0.012 0.000 0.961 185 K CB 0.608 33.103 32.500 -0.008 0.000 0.971 185 K HN 0.670 nan 8.250 nan 0.000 0.502 186 Q N 0.365 120.165 119.800 0.001 0.000 2.345 186 Q HA 0.360 4.704 4.340 0.006 0.000 0.275 186 Q C -1.232 174.752 176.000 -0.026 0.000 1.063 186 Q CA -0.484 55.320 55.803 0.002 0.000 0.819 186 Q CB 2.925 31.690 28.738 0.045 0.000 1.356 186 Q HN -0.143 nan 8.270 nan 0.000 0.418 187 K N 0.745 121.094 120.400 -0.085 0.000 2.274 187 K HA 0.608 4.932 4.320 0.006 0.000 0.262 187 K C -0.361 176.029 176.600 -0.350 0.000 0.961 187 K CA -0.452 55.725 56.287 -0.184 0.000 0.833 187 K CB 1.826 34.234 32.500 -0.153 0.000 1.102 187 K HN 0.707 nan 8.250 nan 0.000 0.436 188 G N 2.096 110.442 108.800 -0.756 0.000 2.509 188 G HA2 0.291 4.255 3.960 0.006 0.000 0.328 188 G HA3 0.291 4.255 3.960 0.006 0.000 0.328 188 G C -1.725 172.679 174.900 -0.827 0.000 1.194 188 G CA -1.543 42.772 45.100 -1.308 0.000 0.967 188 G HN 0.282 nan 8.290 nan 0.000 0.488 189 P HA -0.119 nan 4.420 nan 0.000 0.216 189 P C 0.578 177.743 177.300 -0.225 0.000 1.157 189 P CA 1.769 64.706 63.100 -0.271 0.000 0.880 189 P CB 0.249 31.869 31.700 -0.134 0.000 0.791 190 D N -2.066 118.212 120.400 -0.203 0.000 2.620 190 D HA 0.120 4.763 4.640 0.006 0.000 0.260 190 D C 0.120 176.456 176.300 0.061 0.000 1.367 190 D CA -0.463 53.512 54.000 -0.042 0.000 0.805 190 D CB -0.371 40.472 40.800 0.072 0.000 1.096 190 D HN 0.245 nan 8.370 nan 0.000 0.488 191 F N -1.127 118.787 119.950 -0.060 0.000 2.662 191 F HA 0.706 5.237 4.527 0.006 0.000 0.312 191 F C -2.052 173.706 175.800 -0.071 0.000 1.113 191 F CA -1.437 56.522 58.000 -0.068 0.000 0.951 191 F CB 1.412 40.376 39.000 -0.059 0.000 1.344 191 F HN -0.287 nan 8.300 nan 0.000 0.462 192 L N 2.683 124.017 121.223 0.185 0.000 2.409 192 L HA 0.625 4.969 4.340 0.006 0.000 0.272 192 L C -1.114 175.836 176.870 0.133 0.000 0.980 192 L CA -1.208 53.680 54.840 0.081 0.000 0.826 192 L CB 2.103 44.158 42.059 -0.007 0.000 1.268 192 L HN 0.572 nan 8.230 nan 0.000 0.407 193 V N 1.622 121.614 119.914 0.130 0.000 2.432 193 V HA 0.492 4.616 4.120 0.006 0.000 0.275 193 V C 0.532 176.638 176.094 0.020 0.000 1.043 193 V CA -0.269 62.075 62.300 0.073 0.000 0.925 193 V CB 1.330 33.201 31.823 0.081 0.000 0.985 193 V HN 0.898 nan 8.190 nan 0.000 0.466 194 T N 1.370 115.922 114.554 -0.004 0.000 2.930 194 T HA 0.688 5.042 4.350 0.006 0.000 0.290 194 T C -0.755 173.927 174.700 -0.030 0.000 1.052 194 T CA -0.798 61.288 62.100 -0.024 0.000 1.017 194 T CB 2.378 71.224 68.868 -0.038 0.000 1.137 194 T HN 0.682 nan 8.240 nan 0.000 0.511 195 E N 0.991 121.167 120.200 -0.039 0.000 2.199 195 E HA 0.530 4.884 4.350 0.006 0.000 0.269 195 E C -0.933 175.635 176.600 -0.054 0.000 0.899 195 E CA -0.998 55.377 56.400 -0.041 0.000 0.772 195 E CB 1.831 31.510 29.700 -0.034 0.000 1.155 195 E HN 0.578 nan 8.360 nan 0.000 0.408 196 V N 4.702 124.584 119.914 -0.053 0.000 2.529 196 V HA -0.025 4.099 4.120 0.006 0.000 0.292 196 V C 1.161 177.220 176.094 -0.058 0.000 1.028 196 V CA 0.603 62.866 62.300 -0.062 0.000 1.074 196 V CB 1.030 32.816 31.823 -0.062 0.000 0.958 196 V HN 0.870 nan 8.190 nan 0.000 0.481 197 E N 4.115 124.273 120.200 -0.070 0.000 2.083 197 E HA 0.058 4.411 4.350 0.006 0.000 0.193 197 E C 0.281 176.857 176.600 -0.039 0.000 0.950 197 E CA 0.045 56.411 56.400 -0.057 0.000 0.849 197 E CB 0.412 30.066 29.700 -0.077 0.000 0.827 197 E HN 0.711 nan 8.360 nan 0.000 0.465 198 N N 1.077 119.752 118.700 -0.041 0.000 2.469 198 N HA 0.259 5.003 4.740 0.006 0.000 0.253 198 N C -0.414 175.083 175.510 -0.021 0.000 0.970 198 N CA -0.049 52.995 53.050 -0.011 0.000 0.940 198 N CB 1.607 40.110 38.487 0.027 0.000 1.128 198 N HN 0.177 nan 8.380 nan 0.000 0.503 199 G N -0.056 108.727 108.800 -0.029 0.000 2.562 199 G HA2 0.685 4.649 3.960 0.006 0.000 0.275 199 G HA3 0.685 4.649 3.960 0.006 0.000 0.275 199 G C 0.108 174.980 174.900 -0.047 0.000 1.196 199 G CA -0.300 44.765 45.100 -0.058 0.000 0.908 199 G HN 0.605 nan 8.290 nan 0.000 0.524 200 G N -1.621 107.116 108.800 -0.105 0.000 2.322 200 G HA2 0.439 4.403 3.960 0.006 0.000 0.295 200 G HA3 0.439 4.403 3.960 0.006 0.000 0.295 200 G C -1.595 173.197 174.900 -0.179 0.000 1.369 200 G CA -1.014 44.050 45.100 -0.060 0.000 0.821 200 G HN 0.444 nan 8.290 nan 0.000 0.536 201 F N -0.077 119.888 119.950 0.026 0.000 2.404 201 F HA 0.638 5.169 4.527 0.006 0.000 0.345 201 F C 0.326 176.146 175.800 0.032 0.000 1.110 201 F CA -0.581 57.435 58.000 0.026 0.000 1.130 201 F CB 1.855 40.869 39.000 0.024 0.000 1.129 201 F HN 0.313 nan 8.300 nan 0.000 0.500 202 L N 3.773 125.098 121.223 0.169 0.000 2.305 202 L HA 0.741 5.085 4.340 0.006 0.000 0.284 202 L C 0.075 177.020 176.870 0.125 0.000 1.013 202 L CA 0.037 54.948 54.840 0.119 0.000 0.819 202 L CB 0.810 42.912 42.059 0.071 0.000 1.227 202 L HN 0.635 nan 8.230 nan 0.000 0.417 203 G N 2.584 111.451 108.800 0.112 0.000 2.641 203 G HA2 0.491 4.455 3.960 0.006 0.000 0.239 203 G HA3 0.491 4.455 3.960 0.006 0.000 0.239 203 G C -0.839 174.115 174.900 0.089 0.000 1.402 203 G CA -0.568 44.587 45.100 0.092 0.000 1.046 203 G HN 0.591 nan 8.290 nan 0.000 0.565 204 S N 0.090 115.837 115.700 0.078 0.000 2.578 204 S HA 0.429 4.903 4.470 0.006 0.000 0.283 204 S C -0.113 174.546 174.600 0.099 0.000 1.195 204 S CA -0.550 57.702 58.200 0.087 0.000 1.050 204 S CB 1.284 64.523 63.200 0.065 0.000 1.012 204 S HN 0.514 nan 8.310 nan 0.000 0.511 205 K N 0.866 121.343 120.400 0.128 0.000 3.148 205 K HA -0.128 4.196 4.320 0.006 0.000 0.267 205 K C -0.812 175.873 176.600 0.142 0.000 0.996 205 K CA 0.573 56.948 56.287 0.148 0.000 0.737 205 K CB -0.946 31.637 32.500 0.139 0.000 1.308 205 K HN 0.420 nan 8.250 nan 0.000 0.470 206 K N 0.138 120.616 120.400 0.130 0.000 2.098 206 K HA 0.318 4.642 4.320 0.006 0.000 0.261 206 K C 0.898 177.568 176.600 0.117 0.000 0.987 206 K CA -0.220 56.139 56.287 0.120 0.000 0.916 206 K CB 1.058 33.622 32.500 0.106 0.000 1.039 206 K HN 0.315 nan 8.250 nan 0.000 0.455 207 G N 0.481 109.352 108.800 0.119 0.000 2.442 207 G HA2 0.358 4.322 3.960 0.006 0.000 0.249 207 G HA3 0.358 4.322 3.960 0.006 0.000 0.249 207 G C -0.579 174.378 174.900 0.096 0.000 1.263 207 G CA -0.394 44.772 45.100 0.110 0.000 0.846 207 G HN 0.226 nan 8.290 nan 0.000 0.555 208 V N 2.646 122.602 119.914 0.070 0.000 2.555 208 V HA 0.386 4.509 4.120 0.006 0.000 0.302 208 V C -0.459 175.669 176.094 0.057 0.000 1.038 208 V CA -0.984 61.357 62.300 0.068 0.000 0.887 208 V CB 1.940 33.787 31.823 0.040 0.000 0.991 208 V HN 0.787 nan 8.190 nan 0.000 0.434 209 N N 3.635 122.401 118.700 0.110 0.000 2.269 209 N HA 0.720 5.463 4.740 0.006 0.000 0.304 209 N C -1.109 174.493 175.510 0.153 0.000 1.072 209 N CA -0.592 52.516 53.050 0.096 0.000 0.802 209 N CB 2.183 40.726 38.487 0.092 0.000 1.348 209 N HN 0.554 nan 8.380 nan 0.000 0.484 210 L N 2.582 123.861 121.223 0.094 0.000 2.502 210 L HA 0.404 4.747 4.340 0.006 0.000 0.247 210 L C -1.816 175.114 176.870 0.099 0.000 1.180 210 L CA -1.330 53.579 54.840 0.114 0.000 0.956 210 L CB 1.350 43.458 42.059 0.081 0.000 1.282 210 L HN 0.403 nan 8.230 nan 0.000 0.470 211 P HA -0.119 nan 4.420 nan 0.000 0.218 211 P C 1.603 178.956 177.300 0.089 0.000 1.148 211 P CA 0.941 64.092 63.100 0.086 0.000 0.822 211 P CB 0.355 32.090 31.700 0.057 0.000 0.784 212 G N -1.045 107.813 108.800 0.097 0.000 2.650 212 G HA2 0.168 4.131 3.960 0.006 0.000 0.214 212 G HA3 0.168 4.131 3.960 0.006 0.000 0.214 212 G C 0.551 175.478 174.900 0.046 0.000 1.136 212 G CA 0.397 45.539 45.100 0.069 0.000 0.789 212 G HN 0.445 nan 8.290 nan 0.000 0.536 213 A N -0.071 122.777 122.820 0.048 0.000 2.303 213 A HA 0.752 5.076 4.320 0.006 0.000 0.317 213 A C 0.383 177.983 177.584 0.026 0.000 1.149 213 A CA 0.035 52.096 52.037 0.039 0.000 0.822 213 A CB 1.180 20.215 19.000 0.058 0.000 1.131 213 A HN 0.739 nan 8.150 nan 0.000 0.493 214 A N 2.413 125.246 122.820 0.022 0.000 2.922 214 A HA 0.497 4.821 4.320 0.006 0.000 0.298 214 A C 0.095 177.695 177.584 0.027 0.000 1.588 214 A CA -0.288 51.757 52.037 0.013 0.000 1.288 214 A CB -0.961 18.044 19.000 0.007 0.000 1.130 214 A HN 0.850 nan 8.150 nan 0.000 0.557 215 V N 2.907 122.822 119.914 0.002 0.000 2.540 215 V HA -0.007 4.117 4.120 0.006 0.000 0.297 215 V C 0.943 177.016 176.094 -0.034 0.000 1.024 215 V CA 0.854 63.139 62.300 -0.024 0.000 1.105 215 V CB 0.639 32.345 31.823 -0.194 0.000 0.938 215 V HN 0.931 nan 8.190 nan 0.000 0.482 216 D N 3.908 124.342 120.400 0.056 0.000 2.388 216 D HA 0.098 4.742 4.640 0.006 0.000 0.221 216 D C 0.336 176.648 176.300 0.019 0.000 1.133 216 D CA -0.302 53.727 54.000 0.047 0.000 0.831 216 D CB -0.042 40.809 40.800 0.085 0.000 0.962 216 D HN 0.432 nan 8.370 nan 0.000 0.502 217 L N 1.437 122.606 121.223 -0.091 0.000 2.483 217 L HA 0.197 4.541 4.340 0.006 0.000 0.276 217 L C -1.571 175.261 176.870 -0.064 0.000 1.213 217 L CA -1.380 53.394 54.840 -0.109 0.000 0.843 217 L CB -0.051 41.841 42.059 -0.278 0.000 1.107 217 L HN -0.055 nan 8.230 nan 0.000 0.487 218 P HA 0.018 nan 4.420 nan 0.000 0.268 218 P C 0.072 177.367 177.300 -0.008 0.000 1.205 218 P CA -0.222 62.873 63.100 -0.007 0.000 0.771 218 P CB 1.078 32.783 31.700 0.009 0.000 0.858 219 A N 3.617 126.441 122.820 0.006 0.000 1.940 219 A HA -0.053 4.271 4.320 0.006 0.000 0.219 219 A C 0.982 178.587 177.584 0.035 0.000 1.176 219 A CA 1.464 53.515 52.037 0.024 0.000 0.631 219 A CB -0.517 18.496 19.000 0.023 0.000 0.814 219 A HN 0.446 nan 8.150 nan 0.000 0.446 220 V N 1.232 121.163 119.914 0.028 0.000 2.398 220 V HA 0.333 4.457 4.120 0.006 0.000 0.282 220 V C 0.191 176.304 176.094 0.031 0.000 1.014 220 V CA -0.270 62.050 62.300 0.032 0.000 0.838 220 V CB 0.933 32.773 31.823 0.029 0.000 1.018 220 V HN 0.551 nan 8.190 nan 0.000 0.432 221 S N 2.465 118.186 115.700 0.034 0.000 2.634 221 S HA 0.306 4.780 4.470 0.006 0.000 0.261 221 S C 1.107 175.732 174.600 0.041 0.000 1.271 221 S CA -0.004 58.217 58.200 0.034 0.000 0.985 221 S CB 1.468 64.689 63.200 0.034 0.000 0.968 221 S HN 0.639 nan 8.310 nan 0.000 0.568 222 E N 0.953 121.178 120.200 0.041 0.000 2.085 222 E HA -0.190 4.163 4.350 0.006 0.000 0.194 222 E C 1.871 178.504 176.600 0.055 0.000 0.994 222 E CA 1.775 58.201 56.400 0.045 0.000 0.801 222 E CB -0.327 29.398 29.700 0.040 0.000 0.743 222 E HN 0.711 nan 8.360 nan 0.000 0.453 223 K N 0.146 120.580 120.400 0.057 0.000 2.026 223 K HA -0.183 4.140 4.320 0.006 0.000 0.208 223 K C 1.389 178.047 176.600 0.097 0.000 1.048 223 K CA 1.764 58.095 56.287 0.074 0.000 0.929 223 K CB -0.231 32.312 32.500 0.072 0.000 0.713 223 K HN 0.132 nan 8.250 nan 0.000 0.439 224 D N 0.965 121.411 120.400 0.076 0.000 2.144 224 D HA -0.155 4.489 4.640 0.006 0.000 0.199 224 D C 2.025 178.357 176.300 0.052 0.000 0.984 224 D CA 1.049 55.086 54.000 0.062 0.000 0.834 224 D CB -0.220 40.608 40.800 0.047 0.000 0.955 224 D HN 0.317 nan 8.370 nan 0.000 0.465 225 I N 0.897 121.501 120.570 0.057 0.000 2.163 225 I HA -0.274 3.900 4.170 0.006 0.000 0.243 225 I C 2.438 178.604 176.117 0.083 0.000 1.085 225 I CA 0.996 62.329 61.300 0.055 0.000 1.347 225 I CB -0.139 37.892 38.000 0.050 0.000 1.044 225 I HN -0.067 nan 8.210 nan 0.000 0.408 226 Q N 0.415 120.285 119.800 0.117 0.000 2.124 226 Q HA -0.199 4.145 4.340 0.006 0.000 0.202 226 Q C 1.793 177.959 176.000 0.276 0.000 0.977 226 Q CA 1.467 57.385 55.803 0.191 0.000 0.850 226 Q CB -0.467 28.376 28.738 0.175 0.000 0.901 226 Q HN 0.519 nan 8.270 nan 0.000 0.429 227 D N 0.236 120.771 120.400 0.225 0.000 2.117 227 D HA -0.072 4.572 4.640 0.006 0.000 0.198 227 D C 2.150 178.414 176.300 -0.061 0.000 0.982 227 D CA 0.611 54.686 54.000 0.125 0.000 0.828 227 D CB -0.170 40.657 40.800 0.044 0.000 0.967 227 D HN 0.182 nan 8.370 nan 0.000 0.464 228 L N 0.593 121.788 121.223 -0.046 0.000 2.046 228 L HA -0.149 4.195 4.340 0.006 0.000 0.208 228 L C 2.350 179.201 176.870 -0.032 0.000 1.077 228 L CA 1.177 55.972 54.840 -0.074 0.000 0.747 228 L CB -0.267 41.767 42.059 -0.042 0.000 0.896 228 L HN -0.034 nan 8.230 nan 0.000 0.432 229 K N -0.563 119.857 120.400 0.033 0.000 2.097 229 K HA -0.220 4.103 4.320 0.006 0.000 0.206 229 K C 2.072 178.707 176.600 0.058 0.000 1.049 229 K CA 1.585 57.902 56.287 0.049 0.000 0.933 229 K CB -0.311 32.241 32.500 0.085 0.000 0.717 229 K HN 0.111 nan 8.250 nan 0.000 0.442 230 F N 1.466 121.367 119.950 -0.082 0.000 2.134 230 F HA -0.125 4.406 4.527 0.006 0.000 0.299 230 F C 2.111 177.821 175.800 -0.150 0.000 1.097 230 F CA 1.762 59.672 58.000 -0.150 0.000 1.264 230 F CB -0.691 38.059 39.000 -0.418 0.000 1.001 230 F HN 0.001 nan 8.300 nan 0.000 0.479 231 G N 0.086 108.770 108.800 -0.194 0.000 2.440 231 G HA2 -0.237 3.727 3.960 0.006 0.000 0.218 231 G HA3 -0.237 3.727 3.960 0.006 0.000 0.218 231 G C 1.753 176.517 174.900 -0.226 0.000 1.154 231 G CA 1.291 46.228 45.100 -0.271 0.000 0.767 231 G HN 0.355 nan 8.290 nan 0.000 0.552 232 V N 0.785 120.608 119.914 -0.151 0.000 2.295 232 V HA -0.150 3.974 4.120 0.006 0.000 0.246 232 V C 2.831 178.846 176.094 -0.131 0.000 1.049 232 V CA 2.062 64.296 62.300 -0.109 0.000 1.024 232 V CB -0.360 31.427 31.823 -0.060 0.000 0.648 232 V HN 0.296 nan 8.190 nan 0.000 0.447 233 E N -0.107 119.997 120.200 -0.159 0.000 2.110 233 E HA -0.184 4.170 4.350 0.006 0.000 0.193 233 E C 2.181 178.647 176.600 -0.224 0.000 0.988 233 E CA 0.939 57.243 56.400 -0.159 0.000 0.804 233 E CB -0.276 29.346 29.700 -0.129 0.000 0.745 233 E HN 0.595 nan 8.360 nan 0.000 0.458 234 Q N 0.480 120.059 119.800 -0.368 0.000 2.444 234 Q HA -0.032 4.312 4.340 0.006 0.000 0.206 234 Q C -0.203 175.680 176.000 -0.194 0.000 0.948 234 Q CA 0.230 55.827 55.803 -0.343 0.000 0.946 234 Q CB 0.117 28.519 28.738 -0.560 0.000 1.027 234 Q HN 0.165 nan 8.270 nan 0.000 0.513 235 D N 0.163 120.471 120.400 -0.153 0.000 2.800 235 D HA -0.144 4.500 4.640 0.006 0.000 0.232 235 D C -0.156 176.096 176.300 -0.080 0.000 1.137 235 D CA 0.605 54.550 54.000 -0.092 0.000 0.718 235 D CB -1.334 39.430 40.800 -0.060 0.000 1.084 235 D HN 0.187 nan 8.370 nan 0.000 0.432 236 V N -2.694 117.154 119.914 -0.110 0.000 3.096 236 V HA 0.241 4.364 4.120 0.006 0.000 0.306 236 V C 1.369 177.423 176.094 -0.067 0.000 1.088 236 V CA 0.504 62.746 62.300 -0.097 0.000 1.129 236 V CB 1.215 32.953 31.823 -0.143 0.000 1.014 236 V HN 0.055 nan 8.190 nan 0.000 0.486 237 D N 2.486 122.854 120.400 -0.053 0.000 2.327 237 D HA 0.186 4.830 4.640 0.006 0.000 0.205 237 D C 0.616 176.903 176.300 -0.022 0.000 0.989 237 D CA 1.398 55.390 54.000 -0.014 0.000 0.873 237 D CB 0.528 41.342 40.800 0.022 0.000 0.955 237 D HN 0.833 nan 8.370 nan 0.000 0.515 238 M N -1.413 118.138 119.600 -0.082 0.000 2.643 238 M HA 0.442 4.926 4.480 0.006 0.000 0.276 238 M C -1.995 174.186 176.300 -0.198 0.000 1.200 238 M CA -0.867 54.384 55.300 -0.081 0.000 0.863 238 M CB 2.787 35.386 32.600 -0.001 0.000 1.711 238 M HN -0.426 nan 8.290 nan 0.000 0.492 239 V N 2.438 122.284 119.914 -0.112 0.000 2.540 239 V HA 0.576 4.700 4.120 0.006 0.000 0.302 239 V C -1.322 174.814 176.094 0.071 0.000 1.035 239 V CA -0.374 61.845 62.300 -0.135 0.000 0.873 239 V CB 1.931 33.705 31.823 -0.082 0.000 0.992 239 V HN 0.681 nan 8.190 nan 0.000 0.428 240 F N 3.503 123.422 119.950 -0.052 0.000 2.334 240 F HA 0.637 5.169 4.527 0.007 0.000 0.367 240 F C 0.706 176.471 175.800 -0.058 0.000 1.115 240 F CA -1.575 56.395 58.000 -0.050 0.000 1.116 240 F CB 0.911 39.887 39.000 -0.040 0.000 1.230 240 F HN 0.505 nan 8.300 nan 0.000 0.484 241 A N 2.756 125.647 122.820 0.119 0.000 2.310 241 A HA 0.522 4.846 4.320 0.006 0.000 0.300 241 A C 0.409 177.998 177.584 0.009 0.000 1.269 241 A CA -0.363 51.702 52.037 0.046 0.000 0.909 241 A CB -0.040 18.976 19.000 0.027 0.000 1.144 241 A HN 0.589 nan 8.150 nan 0.000 0.540 242 S N 1.512 117.212 115.700 -0.001 0.000 2.564 242 S HA 0.418 4.892 4.470 0.006 0.000 0.278 242 S C -0.081 174.523 174.600 0.008 0.000 1.333 242 S CA 0.022 58.148 58.200 -0.124 0.000 1.048 242 S CB -0.350 62.782 63.200 -0.113 0.000 0.900 242 S HN 0.801 nan 8.310 nan 0.000 0.505 243 F N -0.285 119.668 119.950 0.004 0.000 3.080 243 F HA -0.160 4.371 4.527 0.007 0.000 0.292 243 F C 0.203 175.998 175.800 -0.010 0.000 0.891 243 F CA -0.291 57.705 58.000 -0.006 0.000 1.086 243 F CB -1.766 37.223 39.000 -0.018 0.000 1.095 243 F HN 0.405 nan 8.300 nan 0.000 0.633 244 I N 1.051 121.675 120.570 0.090 0.000 2.587 244 I HA -0.003 4.171 4.170 0.006 0.000 0.284 244 I C 1.517 177.667 176.117 0.054 0.000 1.134 244 I CA 0.674 62.004 61.300 0.050 0.000 1.410 244 I CB 0.888 38.889 38.000 0.001 0.000 1.392 244 I HN 0.357 nan 8.210 nan 0.000 0.545 245 R N 4.962 125.487 120.500 0.041 0.000 2.316 245 R HA 0.155 4.499 4.340 0.006 0.000 0.201 245 R C -0.057 176.248 176.300 0.007 0.000 0.888 245 R CA 0.225 56.348 56.100 0.038 0.000 1.041 245 R CB 0.668 30.990 30.300 0.038 0.000 1.115 245 R HN 0.648 nan 8.270 nan 0.000 0.559 246 K N -2.549 117.837 120.400 -0.024 0.000 2.607 246 K HA 0.460 4.784 4.320 0.006 0.000 0.287 246 K C -0.081 176.452 176.600 -0.112 0.000 0.996 246 K CA -0.275 55.981 56.287 -0.051 0.000 0.876 246 K CB 1.052 33.533 32.500 -0.031 0.000 1.496 246 K HN -0.165 nan 8.250 nan 0.000 0.415 247 A N 1.077 123.808 122.820 -0.149 0.000 1.948 247 A HA -0.163 4.161 4.320 0.006 0.000 0.220 247 A C 2.256 179.566 177.584 -0.458 0.000 1.177 247 A CA 2.536 54.390 52.037 -0.305 0.000 0.636 247 A CB -1.182 17.688 19.000 -0.217 0.000 0.815 247 A HN 0.871 nan 8.150 nan 0.000 0.449 248 A N 0.022 122.738 122.820 -0.174 0.000 1.978 248 A HA -0.211 4.113 4.320 0.006 0.000 0.220 248 A C 1.702 179.250 177.584 -0.059 0.000 1.170 248 A CA 1.960 53.975 52.037 -0.037 0.000 0.636 248 A CB -0.578 18.445 19.000 0.038 0.000 0.810 248 A HN 0.506 nan 8.150 nan 0.000 0.448 249 D N -0.154 120.197 120.400 -0.081 0.000 2.117 249 D HA -0.102 4.542 4.640 0.006 0.000 0.197 249 D C 2.080 178.342 176.300 -0.064 0.000 0.987 249 D CA 1.490 55.463 54.000 -0.045 0.000 0.829 249 D CB -0.573 40.211 40.800 -0.027 0.000 0.961 249 D HN 0.261 nan 8.370 nan 0.000 0.460 250 V N 0.929 120.753 119.914 -0.151 0.000 2.295 250 V HA -0.265 3.859 4.120 0.006 0.000 0.246 250 V C 2.041 178.093 176.094 -0.069 0.000 1.049 250 V CA 1.793 64.007 62.300 -0.144 0.000 1.024 250 V CB -0.895 30.793 31.823 -0.226 0.000 0.648 250 V HN 0.331 nan 8.190 nan 0.000 0.447 251 H N -0.292 118.773 119.070 -0.008 0.000 2.387 251 H HA -0.208 4.351 4.556 0.006 0.000 0.299 251 H C 2.409 177.736 175.328 -0.001 0.000 1.099 251 H CA 1.496 57.541 56.048 -0.006 0.000 1.315 251 H CB 0.098 29.855 29.762 -0.007 0.000 1.380 251 H HN 0.430 nan 8.280 nan 0.000 0.513 252 E N 0.919 121.179 120.200 0.100 0.000 2.051 252 E HA -0.125 4.229 4.350 0.006 0.000 0.192 252 E C 2.233 178.859 176.600 0.043 0.000 0.991 252 E CA 1.078 57.515 56.400 0.061 0.000 0.799 252 E CB -0.251 29.473 29.700 0.041 0.000 0.748 252 E HN 0.211 nan 8.360 nan 0.000 0.449 253 V N 0.638 120.570 119.914 0.030 0.000 2.295 253 V HA -0.250 3.874 4.120 0.006 0.000 0.246 253 V C 2.544 178.652 176.094 0.024 0.000 1.049 253 V CA 2.101 64.413 62.300 0.019 0.000 1.024 253 V CB -0.608 31.220 31.823 0.008 0.000 0.648 253 V HN 0.213 nan 8.190 nan 0.000 0.447 254 R N 0.779 121.303 120.500 0.041 0.000 2.091 254 R HA -0.197 4.146 4.340 0.006 0.000 0.238 254 R C 2.310 178.631 176.300 0.035 0.000 1.136 254 R CA 2.044 58.171 56.100 0.044 0.000 0.959 254 R CB -0.508 29.839 30.300 0.077 0.000 0.856 254 R HN 0.531 nan 8.270 nan 0.000 0.437 255 K N -0.158 120.267 120.400 0.041 0.000 2.057 255 K HA -0.101 4.222 4.320 0.006 0.000 0.207 255 K C 1.778 178.391 176.600 0.021 0.000 1.049 255 K CA 1.415 57.719 56.287 0.028 0.000 0.931 255 K CB -0.024 32.496 32.500 0.032 0.000 0.714 255 K HN 0.130 nan 8.250 nan 0.000 0.440 256 I N 1.804 122.387 120.570 0.022 0.000 2.179 256 I HA -0.264 3.910 4.170 0.006 0.000 0.242 256 I C 2.320 178.442 176.117 0.010 0.000 1.088 256 I CA 1.260 62.570 61.300 0.017 0.000 1.357 256 I CB -1.143 36.867 38.000 0.017 0.000 1.051 256 I HN 0.243 nan 8.210 nan 0.000 0.409 257 L N 0.266 121.492 121.223 0.004 0.000 2.079 257 L HA -0.074 4.270 4.340 0.006 0.000 0.210 257 L C 1.583 178.453 176.870 0.000 0.000 1.081 257 L CA 1.067 55.904 54.840 -0.005 0.000 0.752 257 L CB -1.127 40.927 42.059 -0.008 0.000 0.896 257 L HN 0.509 nan 8.230 nan 0.000 0.433 258 G N 0.080 108.884 108.800 0.007 0.000 2.645 258 G HA2 -0.406 3.558 3.960 0.006 0.000 0.246 258 G HA3 -0.406 3.558 3.960 0.006 0.000 0.246 258 G C 0.448 175.351 174.900 0.005 0.000 1.322 258 G CA 0.492 45.596 45.100 0.007 0.000 0.898 258 G HN 0.290 nan 8.290 nan 0.000 0.573 259 E N 0.002 120.205 120.200 0.004 0.000 2.051 259 E HA -0.078 4.276 4.350 0.006 0.000 0.192 259 E C 2.404 179.005 176.600 0.001 0.000 0.991 259 E CA 2.200 58.602 56.400 0.003 0.000 0.799 259 E CB -0.266 29.436 29.700 0.003 0.000 0.748 259 E HN 0.586 nan 8.360 nan 0.000 0.449 260 K N -1.003 119.397 120.400 -0.001 0.000 2.103 260 K HA -0.080 4.244 4.320 0.006 0.000 0.207 260 K C 1.550 178.145 176.600 -0.010 0.000 1.048 260 K CA 1.405 57.688 56.287 -0.006 0.000 0.930 260 K CB -0.342 32.152 32.500 -0.009 0.000 0.716 260 K HN 0.247 nan 8.250 nan 0.000 0.444 261 G N 0.888 109.682 108.800 -0.009 0.000 3.371 261 G HA2 -0.040 3.924 3.960 0.006 0.000 0.248 261 G HA3 -0.040 3.924 3.960 0.006 0.000 0.248 261 G C 0.808 175.707 174.900 -0.002 0.000 1.161 261 G CA -0.266 44.827 45.100 -0.013 0.000 0.796 261 G HN 0.383 nan 8.290 nan 0.000 0.539 262 K N 0.004 120.406 120.400 0.004 0.000 2.280 262 K HA -0.022 4.302 4.320 0.006 0.000 0.202 262 K C 1.200 177.812 176.600 0.020 0.000 1.047 262 K CA 0.956 57.250 56.287 0.012 0.000 0.942 262 K CB -0.032 32.475 32.500 0.013 0.000 0.739 262 K HN 0.052 nan 8.250 nan 0.000 0.457 263 N N 0.785 119.496 118.700 0.018 0.000 2.336 263 N HA 0.152 4.896 4.740 0.006 0.000 0.189 263 N C 0.057 175.585 175.510 0.031 0.000 1.113 263 N CA 0.132 53.200 53.050 0.030 0.000 0.858 263 N CB 0.263 38.769 38.487 0.032 0.000 0.970 263 N HN 0.220 nan 8.380 nan 0.000 0.471 264 I N 1.900 122.479 120.570 0.015 0.000 2.533 264 I HA -0.007 4.167 4.170 0.006 0.000 0.284 264 I C 0.434 176.562 176.117 0.019 0.000 1.109 264 I CA -0.175 61.128 61.300 0.006 0.000 1.412 264 I CB 0.544 38.531 38.000 -0.021 0.000 1.396 264 I HN -0.354 nan 8.210 nan 0.000 0.543 265 K N 7.445 127.863 120.400 0.030 0.000 2.276 265 K HA 0.456 4.780 4.320 0.006 0.000 0.283 265 K C -0.416 176.208 176.600 0.041 0.000 1.044 265 K CA -0.255 56.058 56.287 0.044 0.000 0.944 265 K CB 1.121 33.657 32.500 0.061 0.000 1.012 265 K HN 0.492 nan 8.250 nan 0.000 0.472 266 I N 4.683 125.275 120.570 0.037 0.000 2.312 266 I HA 0.183 4.357 4.170 0.006 0.000 0.290 266 I C -0.057 176.087 176.117 0.046 0.000 1.008 266 I CA -0.679 60.644 61.300 0.039 0.000 1.226 266 I CB 0.801 38.812 38.000 0.019 0.000 1.371 266 I HN 0.184 nan 8.210 nan 0.000 0.468 267 I N 5.367 125.998 120.570 0.102 0.000 2.307 267 I HA 0.222 4.396 4.170 0.006 0.000 0.289 267 I C 0.380 176.516 176.117 0.032 0.000 1.021 267 I CA -0.161 61.178 61.300 0.066 0.000 1.224 267 I CB 1.032 39.105 38.000 0.121 0.000 1.376 267 I HN 0.444 nan 8.210 nan 0.000 0.470 268 S N 6.568 122.257 115.700 -0.018 0.000 2.523 268 S HA 0.282 4.756 4.470 0.006 0.000 0.275 268 S C 0.257 174.832 174.600 -0.041 0.000 1.281 268 S CA -0.601 57.583 58.200 -0.025 0.000 1.050 268 S CB 0.658 63.831 63.200 -0.045 0.000 0.937 268 S HN 0.366 nan 8.310 nan 0.000 0.492 269 K N 2.908 123.275 120.400 -0.055 0.000 2.276 269 K HA 0.317 4.641 4.320 0.006 0.000 0.285 269 K C -0.592 175.964 176.600 -0.075 0.000 1.062 269 K CA -0.411 55.815 56.287 -0.102 0.000 0.918 269 K CB 0.540 32.944 32.500 -0.160 0.000 1.055 269 K HN 0.413 nan 8.250 nan 0.000 0.477 270 I N 4.435 124.978 120.570 -0.046 0.000 2.301 270 I HA 0.042 4.216 4.170 0.006 0.000 0.292 270 I C 0.763 176.850 176.117 -0.050 0.000 1.046 270 I CA 0.219 61.516 61.300 -0.004 0.000 1.282 270 I CB 0.391 38.421 38.000 0.050 0.000 1.409 270 I HN 0.804 nan 8.210 nan 0.000 0.484 271 E N 5.472 125.655 120.200 -0.029 0.000 2.858 271 E HA 0.190 4.544 4.350 0.006 0.000 0.195 271 E C -0.473 176.173 176.600 0.078 0.000 0.952 271 E CA -0.492 55.890 56.400 -0.030 0.000 1.294 271 E CB 0.326 29.928 29.700 -0.163 0.000 1.048 271 E HN 0.721 nan 8.360 nan 0.000 0.485 272 N N -0.249 118.507 118.700 0.094 0.000 2.732 272 N HA 0.123 4.867 4.740 0.006 0.000 0.259 272 N C 0.149 175.730 175.510 0.119 0.000 1.402 272 N CA -0.738 52.382 53.050 0.117 0.000 0.829 272 N CB 1.139 39.724 38.487 0.162 0.000 1.495 272 N HN -0.153 nan 8.380 nan 0.000 0.511 273 H N 0.438 119.519 119.070 0.018 0.000 2.353 273 H HA -0.082 4.478 4.556 0.006 0.000 0.300 273 H C 1.552 176.888 175.328 0.013 0.000 1.090 273 H CA 2.092 58.142 56.048 0.004 0.000 1.327 273 H CB 0.134 29.895 29.762 -0.002 0.000 1.383 273 H HN 0.822 nan 8.280 nan 0.000 0.508 274 E N -0.602 119.688 120.200 0.150 0.000 2.110 274 E HA -0.113 4.241 4.350 0.006 0.000 0.193 274 E C 2.381 179.035 176.600 0.090 0.000 0.988 274 E CA 0.891 57.333 56.400 0.070 0.000 0.804 274 E CB -0.311 29.409 29.700 0.034 0.000 0.745 274 E HN 0.574 nan 8.360 nan 0.000 0.458 275 G N 0.396 109.259 108.800 0.104 0.000 2.418 275 G HA2 -0.239 3.725 3.960 0.006 0.000 0.217 275 G HA3 -0.239 3.725 3.960 0.006 0.000 0.217 275 G C 1.626 176.618 174.900 0.153 0.000 1.158 275 G CA 0.981 46.146 45.100 0.109 0.000 0.771 275 G HN 0.229 nan 8.290 nan 0.000 0.545 276 V N 0.642 120.633 119.914 0.129 0.000 2.307 276 V HA -0.148 3.976 4.120 0.006 0.000 0.245 276 V C 2.903 179.082 176.094 0.142 0.000 1.045 276 V CA 1.901 64.264 62.300 0.104 0.000 1.024 276 V CB -0.483 31.352 31.823 0.021 0.000 0.651 276 V HN 0.308 nan 8.190 nan 0.000 0.449 277 R N 0.152 120.738 120.500 0.144 0.000 2.096 277 R HA -0.060 4.284 4.340 0.006 0.000 0.235 277 R C 1.889 178.240 176.300 0.086 0.000 1.127 277 R CA 1.164 57.324 56.100 0.099 0.000 0.968 277 R CB -0.223 30.106 30.300 0.047 0.000 0.861 277 R HN 0.457 nan 8.270 nan 0.000 0.440 278 R N -0.170 120.381 120.500 0.086 0.000 2.515 278 R HA 0.064 4.408 4.340 0.006 0.000 0.294 278 R C 0.986 177.315 176.300 0.048 0.000 1.021 278 R CA -0.294 55.834 56.100 0.047 0.000 1.081 278 R CB 0.040 30.348 30.300 0.014 0.000 1.263 278 R HN 0.129 nan 8.270 nan 0.000 0.557 279 F N 2.224 122.163 119.950 -0.019 0.000 2.095 279 F HA -0.256 4.274 4.527 0.006 0.000 0.298 279 F C 1.514 177.295 175.800 -0.032 0.000 1.104 279 F CA 1.842 59.824 58.000 -0.029 0.000 1.232 279 F CB 0.130 39.110 39.000 -0.033 0.000 0.987 279 F HN 0.008 nan 8.300 nan 0.000 0.475 280 D N 0.314 120.657 120.400 -0.096 0.000 2.123 280 D HA -0.235 4.409 4.640 0.006 0.000 0.196 280 D C 2.170 178.328 176.300 -0.237 0.000 0.992 280 D CA 1.851 55.743 54.000 -0.181 0.000 0.833 280 D CB -0.593 40.197 40.800 -0.017 0.000 0.954 280 D HN 0.702 nan 8.370 nan 0.000 0.455 281 E N 0.450 120.555 120.200 -0.159 0.000 2.208 281 E HA -0.102 4.252 4.350 0.006 0.000 0.193 281 E C 2.206 178.688 176.600 -0.197 0.000 0.988 281 E CA 0.567 56.887 56.400 -0.134 0.000 0.828 281 E CB -0.379 29.276 29.700 -0.076 0.000 0.763 281 E HN 0.267 nan 8.360 nan 0.000 0.478 282 I N 0.689 121.099 120.570 -0.266 0.000 2.202 282 I HA -0.207 3.967 4.170 0.006 0.000 0.242 282 I C 2.471 178.377 176.117 -0.352 0.000 1.091 282 I CA 0.587 61.716 61.300 -0.285 0.000 1.368 282 I CB -0.201 37.654 38.000 -0.241 0.000 1.058 282 I HN 0.163 nan 8.210 nan 0.000 0.410 283 L N 0.905 121.776 121.223 -0.586 0.000 2.042 283 L HA -0.234 4.110 4.340 0.006 0.000 0.210 283 L C 2.496 179.216 176.870 -0.250 0.000 1.076 283 L CA 1.937 56.478 54.840 -0.499 0.000 0.749 283 L CB -0.842 40.794 42.059 -0.706 0.000 0.893 283 L HN 0.230 nan 8.230 nan 0.000 0.432 284 E N -0.082 119.993 120.200 -0.209 0.000 2.118 284 E HA -0.223 4.131 4.350 0.006 0.000 0.195 284 E C 1.922 178.484 176.600 -0.062 0.000 0.992 284 E CA 1.441 57.778 56.400 -0.105 0.000 0.804 284 E CB -0.058 29.597 29.700 -0.075 0.000 0.741 284 E HN 0.614 nan 8.360 nan 0.000 0.458 285 A N 0.208 122.978 122.820 -0.084 0.000 2.123 285 A HA 0.078 4.402 4.320 0.006 0.000 0.214 285 A C 1.367 178.926 177.584 -0.041 0.000 1.152 285 A CA 0.266 52.281 52.037 -0.036 0.000 0.728 285 A CB 0.157 19.051 19.000 -0.176 0.000 0.814 285 A HN 0.128 nan 8.150 nan 0.000 0.464 286 S N -0.077 115.576 115.700 -0.080 0.000 2.690 286 S HA 0.314 4.788 4.470 0.006 0.000 0.291 286 S C 0.009 174.587 174.600 -0.037 0.000 1.138 286 S CA -0.567 57.596 58.200 -0.061 0.000 1.013 286 S CB 1.108 64.253 63.200 -0.091 0.000 1.053 286 S HN 0.385 nan 8.310 nan 0.000 0.539 287 D N 0.439 120.828 120.400 -0.019 0.000 2.333 287 D HA 0.241 4.885 4.640 0.006 0.000 0.208 287 D C 0.829 177.101 176.300 -0.047 0.000 0.984 287 D CA 0.533 54.527 54.000 -0.010 0.000 0.873 287 D CB 0.404 41.213 40.800 0.016 0.000 0.935 287 D HN 0.627 nan 8.370 nan 0.000 0.521 288 G N -0.165 108.600 108.800 -0.058 0.000 2.430 288 G HA2 0.456 4.420 3.960 0.006 0.000 0.300 288 G HA3 0.456 4.420 3.960 0.006 0.000 0.300 288 G C -1.857 173.003 174.900 -0.067 0.000 1.330 288 G CA -0.580 44.468 45.100 -0.087 0.000 0.813 288 G HN -0.078 nan 8.290 nan 0.000 0.487 289 I N 0.459 120.987 120.570 -0.070 0.000 2.769 289 I HA 0.527 4.701 4.170 0.006 0.000 0.298 289 I C -0.486 175.562 176.117 -0.114 0.000 1.128 289 I CA -0.669 60.608 61.300 -0.038 0.000 1.031 289 I CB 2.046 40.108 38.000 0.103 0.000 1.235 289 I HN 0.654 nan 8.210 nan 0.000 0.423 290 M N 5.353 124.866 119.600 -0.144 0.000 2.311 290 M HA 0.460 4.944 4.480 0.006 0.000 0.325 290 M C -1.312 174.907 176.300 -0.134 0.000 1.061 290 M CA -0.731 54.445 55.300 -0.207 0.000 0.957 290 M CB 1.721 34.119 32.600 -0.337 0.000 1.646 290 M HN 0.281 nan 8.290 nan 0.000 0.434 291 V N 5.155 124.993 119.914 -0.127 0.000 2.352 291 V HA 0.243 4.367 4.120 0.006 0.000 0.253 291 V C 0.581 176.607 176.094 -0.113 0.000 1.083 291 V CA -0.361 61.872 62.300 -0.111 0.000 0.993 291 V CB -0.032 31.726 31.823 -0.108 0.000 1.111 291 V HN 0.867 nan 8.190 nan 0.000 0.490 292 A N 5.920 128.670 122.820 -0.117 0.000 2.922 292 A HA 0.333 4.657 4.320 0.006 0.000 0.298 292 A C 1.413 178.943 177.584 -0.091 0.000 1.588 292 A CA -0.377 51.587 52.037 -0.122 0.000 1.288 292 A CB -0.324 18.571 19.000 -0.174 0.000 1.130 292 A HN 0.846 nan 8.150 nan 0.000 0.557 293 R N 1.469 121.927 120.500 -0.069 0.000 2.189 293 R HA -0.082 4.261 4.340 0.006 0.000 0.218 293 R C 2.215 178.494 176.300 -0.034 0.000 1.074 293 R CA 1.095 57.166 56.100 -0.050 0.000 0.991 293 R CB 0.006 30.284 30.300 -0.036 0.000 0.883 293 R HN 0.699 nan 8.270 nan 0.000 0.457 294 G N 1.605 110.389 108.800 -0.027 0.000 2.552 294 G HA2 -0.271 3.692 3.960 0.006 0.000 0.216 294 G HA3 -0.271 3.692 3.960 0.006 0.000 0.216 294 G C 1.001 175.903 174.900 0.002 0.000 1.240 294 G CA 0.956 46.054 45.100 -0.004 0.000 0.796 294 G HN 0.197 nan 8.290 nan 0.000 0.568 295 D N 0.035 120.438 120.400 0.003 0.000 2.144 295 D HA -0.074 4.570 4.640 0.006 0.000 0.200 295 D C 2.487 178.801 176.300 0.023 0.000 0.978 295 D CA 0.602 54.634 54.000 0.053 0.000 0.833 295 D CB -0.100 40.774 40.800 0.122 0.000 0.961 295 D HN 0.162 nan 8.370 nan 0.000 0.470 296 L N 1.133 122.346 121.223 -0.017 0.000 2.042 296 L HA -0.076 4.268 4.340 0.006 0.000 0.210 296 L C 2.134 178.971 176.870 -0.056 0.000 1.076 296 L CA 1.926 56.744 54.840 -0.036 0.000 0.749 296 L CB -0.836 41.186 42.059 -0.061 0.000 0.893 296 L HN 0.006 nan 8.230 nan 0.000 0.432 297 G N -1.576 107.194 108.800 -0.050 0.000 2.848 297 G HA2 -0.006 3.958 3.960 0.006 0.000 0.208 297 G HA3 -0.006 3.958 3.960 0.006 0.000 0.208 297 G C 1.366 176.214 174.900 -0.087 0.000 1.152 297 G CA 0.576 45.640 45.100 -0.060 0.000 0.789 297 G HN 0.497 nan 8.290 nan 0.000 0.531 298 I N -0.613 119.900 120.570 -0.094 0.000 3.172 298 I HA 0.100 4.274 4.170 0.006 0.000 0.278 298 I C 2.229 178.219 176.117 -0.211 0.000 1.174 298 I CA 0.201 61.392 61.300 -0.182 0.000 1.445 298 I CB 0.129 38.059 38.000 -0.117 0.000 1.175 298 I HN -0.038 nan 8.210 nan 0.000 0.447 299 E N 1.787 121.929 120.200 -0.097 0.000 2.150 299 E HA -0.000 4.354 4.350 0.006 0.000 0.193 299 E C 0.813 177.368 176.600 -0.076 0.000 0.985 299 E CA 0.888 57.256 56.400 -0.054 0.000 0.814 299 E CB 0.137 29.849 29.700 0.021 0.000 0.752 299 E HN 0.548 nan 8.360 nan 0.000 0.466 300 I N -2.454 118.046 120.570 -0.117 0.000 2.846 300 I HA 0.470 4.644 4.170 0.006 0.000 0.307 300 I C -2.716 173.324 176.117 -0.129 0.000 1.053 300 I CA -3.073 58.133 61.300 -0.156 0.000 1.050 300 I CB 2.104 39.948 38.000 -0.260 0.000 1.239 300 I HN -0.367 nan 8.210 nan 0.000 0.439 301 P HA 0.011 nan 4.420 nan 0.000 0.262 301 P C 0.430 177.696 177.300 -0.057 0.000 1.182 301 P CA 0.302 63.360 63.100 -0.070 0.000 0.761 301 P CB 0.957 32.630 31.700 -0.045 0.000 0.795 302 A N 5.088 127.883 122.820 -0.041 0.000 1.978 302 A HA -0.216 4.108 4.320 0.006 0.000 0.220 302 A C 1.793 179.394 177.584 0.029 0.000 1.170 302 A CA 1.571 53.599 52.037 -0.016 0.000 0.636 302 A CB -0.838 18.156 19.000 -0.010 0.000 0.810 302 A HN 0.662 nan 8.150 nan 0.000 0.448 303 E N 0.405 120.631 120.200 0.043 0.000 2.409 303 E HA -0.150 4.204 4.350 0.006 0.000 0.198 303 E C 1.129 177.841 176.600 0.187 0.000 1.024 303 E CA 1.199 57.667 56.400 0.113 0.000 0.861 303 E CB -0.240 29.513 29.700 0.088 0.000 0.788 303 E HN 0.664 nan 8.360 nan 0.000 0.521 304 K N 0.517 120.938 120.400 0.036 0.000 2.353 304 K HA 0.145 4.469 4.320 0.006 0.000 0.195 304 K C 1.903 178.380 176.600 -0.205 0.000 1.031 304 K CA 0.158 56.373 56.287 -0.121 0.000 1.079 304 K CB 0.632 33.038 32.500 -0.156 0.000 0.857 304 K HN -0.082 nan 8.250 nan 0.000 0.535 305 V N 1.934 121.813 119.914 -0.058 0.000 2.332 305 V HA -0.283 3.840 4.120 0.006 0.000 0.248 305 V C 2.071 178.118 176.094 -0.079 0.000 1.055 305 V CA 1.982 64.240 62.300 -0.070 0.000 1.038 305 V CB -0.682 31.133 31.823 -0.013 0.000 0.651 305 V HN 0.367 nan 8.190 nan 0.000 0.450 306 F N 0.131 120.039 119.950 -0.069 0.000 2.202 306 F HA -0.123 4.406 4.527 0.004 0.000 0.301 306 F C 1.894 177.647 175.800 -0.078 0.000 1.082 306 F CA 1.408 59.368 58.000 -0.067 0.000 1.313 306 F CB -1.121 37.849 39.000 -0.050 0.000 1.024 306 F HN 0.089 nan 8.300 nan 0.000 0.495 307 L N 0.878 121.448 121.223 -1.088 0.000 2.027 307 L HA -0.107 4.237 4.340 0.006 0.000 0.206 307 L C 3.037 179.665 176.870 -0.402 0.000 1.074 307 L CA 1.272 55.638 54.840 -0.790 0.000 0.745 307 L CB -1.269 40.336 42.059 -0.758 0.000 0.898 307 L HN 0.327 nan 8.230 nan 0.000 0.433 308 A N -0.496 122.119 122.820 -0.342 0.000 1.902 308 A HA -0.289 4.034 4.320 0.006 0.000 0.217 308 A C 2.280 179.715 177.584 -0.249 0.000 1.181 308 A CA 1.928 53.801 52.037 -0.272 0.000 0.623 308 A CB -0.644 18.218 19.000 -0.230 0.000 0.818 308 A HN 0.513 nan 8.150 nan 0.000 0.443 309 Q N -0.187 119.502 119.800 -0.185 0.000 2.061 309 Q HA -0.236 4.108 4.340 0.006 0.000 0.204 309 Q C 1.978 177.895 176.000 -0.138 0.000 0.984 309 Q CA 2.106 57.828 55.803 -0.136 0.000 0.846 309 Q CB -0.152 28.551 28.738 -0.059 0.000 0.902 309 Q HN 0.677 nan 8.270 nan 0.000 0.421 310 K N -0.126 120.203 120.400 -0.118 0.000 2.097 310 K HA -0.109 4.215 4.320 0.006 0.000 0.205 310 K C 2.181 178.694 176.600 -0.145 0.000 1.050 310 K CA 1.230 57.460 56.287 -0.096 0.000 0.938 310 K CB -0.190 32.284 32.500 -0.043 0.000 0.718 310 K HN 0.314 nan 8.250 nan 0.000 0.442 311 M N 1.260 120.740 119.600 -0.200 0.000 2.086 311 M HA -0.147 4.337 4.480 0.006 0.000 0.261 311 M C 1.882 177.997 176.300 -0.309 0.000 1.067 311 M CA 1.752 56.914 55.300 -0.229 0.000 1.116 311 M CB -0.293 32.154 32.600 -0.255 0.000 1.348 311 M HN 0.120 nan 8.290 nan 0.000 0.407 312 I N 0.155 120.474 120.570 -0.418 0.000 2.202 312 I HA -0.324 3.850 4.170 0.006 0.000 0.242 312 I C 2.391 178.361 176.117 -0.246 0.000 1.091 312 I CA 1.105 62.058 61.300 -0.578 0.000 1.368 312 I CB -0.366 37.290 38.000 -0.573 0.000 1.058 312 I HN 0.252 nan 8.210 nan 0.000 0.410 313 I N 0.643 121.113 120.570 -0.167 0.000 2.163 313 I HA -0.239 3.935 4.170 0.006 0.000 0.243 313 I C 2.705 178.780 176.117 -0.070 0.000 1.085 313 I CA 1.687 62.932 61.300 -0.092 0.000 1.347 313 I CB -1.028 36.926 38.000 -0.076 0.000 1.044 313 I HN 0.286 nan 8.210 nan 0.000 0.408 314 G N 0.796 109.545 108.800 -0.085 0.000 2.476 314 G HA2 -0.257 3.707 3.960 0.006 0.000 0.218 314 G HA3 -0.257 3.707 3.960 0.006 0.000 0.218 314 G C 1.820 176.698 174.900 -0.037 0.000 1.164 314 G CA 0.636 45.697 45.100 -0.065 0.000 0.768 314 G HN 0.310 nan 8.290 nan 0.000 0.560 315 R N -0.728 119.758 120.500 -0.023 0.000 2.092 315 R HA -0.016 4.328 4.340 0.006 0.000 0.231 315 R C 2.691 179.050 176.300 0.098 0.000 1.119 315 R CA 1.123 57.264 56.100 0.069 0.000 0.970 315 R CB -0.579 29.838 30.300 0.195 0.000 0.864 315 R HN 0.401 nan 8.270 nan 0.000 0.440 316 C N 0.566 119.924 119.300 0.096 0.000 2.446 316 C HA -0.034 4.430 4.460 0.006 0.000 0.277 316 C C 2.195 177.186 174.990 0.002 0.000 1.275 316 C CA 0.628 59.685 59.018 0.066 0.000 1.727 316 C CB -1.176 26.595 27.740 0.052 0.000 2.010 316 C HN 0.570 nan 8.230 nan 0.000 0.486 317 N N 0.257 118.945 118.700 -0.018 0.000 2.104 317 N HA -0.202 4.542 4.740 0.006 0.000 0.190 317 N C 2.013 177.484 175.510 -0.065 0.000 1.024 317 N CA 1.011 54.035 53.050 -0.043 0.000 0.853 317 N CB -0.257 38.203 38.487 -0.045 0.000 1.008 317 N HN 0.498 nan 8.380 nan 0.000 0.424 318 R N 0.898 121.371 120.500 -0.046 0.000 2.096 318 R HA -0.059 4.284 4.340 0.006 0.000 0.235 318 R C 1.904 178.175 176.300 -0.049 0.000 1.127 318 R CA 1.346 57.416 56.100 -0.051 0.000 0.968 318 R CB -0.056 30.230 30.300 -0.023 0.000 0.861 318 R HN 0.171 nan 8.270 nan 0.000 0.440 319 A N -0.566 122.239 122.820 -0.025 0.000 2.123 319 A HA 0.188 4.512 4.320 0.006 0.000 0.214 319 A C 1.401 178.972 177.584 -0.022 0.000 1.152 319 A CA 0.747 52.774 52.037 -0.018 0.000 0.728 319 A CB -0.184 18.813 19.000 -0.005 0.000 0.814 319 A HN 0.531 nan 8.150 nan 0.000 0.464 320 G N -0.491 108.285 108.800 -0.039 0.000 2.198 320 G HA2 -0.269 3.695 3.960 0.006 0.000 0.260 320 G HA3 -0.269 3.695 3.960 0.006 0.000 0.260 320 G C 0.060 174.994 174.900 0.056 0.000 1.025 320 G CA 0.708 45.802 45.100 -0.009 0.000 0.769 320 G HN 0.578 nan 8.290 nan 0.000 0.507 321 K N 0.484 120.885 120.400 0.002 0.000 2.159 321 K HA 0.457 4.781 4.320 0.006 0.000 0.266 321 K C -2.466 174.052 176.600 -0.137 0.000 0.975 321 K CA -2.190 54.070 56.287 -0.044 0.000 0.865 321 K CB 1.701 34.179 32.500 -0.038 0.000 1.087 321 K HN -0.059 nan 8.250 nan 0.000 0.446 322 P HA -0.076 nan 4.420 nan 0.000 0.264 322 P C -1.056 176.128 177.300 -0.192 0.000 1.183 322 P CA -0.112 62.767 63.100 -0.368 0.000 0.763 322 P CB 0.607 31.980 31.700 -0.544 0.000 0.807 323 V N 5.438 125.262 119.914 -0.149 0.000 2.709 323 V HA 0.528 4.651 4.120 0.006 0.000 0.308 323 V C -0.863 175.158 176.094 -0.122 0.000 1.062 323 V CA -0.860 61.374 62.300 -0.111 0.000 0.901 323 V CB 1.471 33.255 31.823 -0.064 0.000 1.003 323 V HN 0.284 nan 8.190 nan 0.000 0.425 324 I N 6.193 126.674 120.570 -0.150 0.000 2.404 324 I HA 0.447 4.621 4.170 0.006 0.000 0.293 324 I C -0.233 175.802 176.117 -0.137 0.000 0.992 324 I CA -0.393 60.810 61.300 -0.162 0.000 1.149 324 I CB 1.647 39.482 38.000 -0.275 0.000 1.315 324 I HN 0.634 nan 8.210 nan 0.000 0.446 325 C N 6.330 125.572 119.300 -0.097 0.000 2.330 325 C HA 0.875 5.339 4.460 0.006 0.000 0.344 325 C C 0.371 175.316 174.990 -0.075 0.000 1.273 325 C CA -0.076 58.895 59.018 -0.079 0.000 1.879 325 C CB -0.328 27.383 27.740 -0.050 0.000 2.376 325 C HN 0.874 nan 8.230 nan 0.000 0.534 326 A N 4.363 127.138 122.820 -0.075 0.000 2.454 326 A HA 0.915 5.239 4.320 0.006 0.000 0.302 326 A C -0.221 177.340 177.584 -0.037 0.000 1.079 326 A CA -0.167 51.833 52.037 -0.062 0.000 0.731 326 A CB 1.107 20.050 19.000 -0.095 0.000 1.299 326 A HN 1.398 nan 8.150 nan 0.000 0.413 327 T N 1.494 116.040 114.554 -0.015 0.000 0.660 327 T HA -0.076 4.278 4.350 0.006 0.000 0.762 327 T C 0.012 174.716 174.700 0.006 0.000 0.990 327 T CA 0.607 62.706 62.100 -0.000 0.000 4.021 327 T CB -1.373 67.490 68.868 -0.009 0.000 2.273 327 T HN 1.514 nan 8.240 nan 0.000 0.396 328 Q N 0.195 120.006 119.800 0.018 0.000 2.481 328 Q HA -0.261 4.083 4.340 0.006 0.000 0.258 328 Q C 1.544 177.553 176.000 0.016 0.000 0.961 328 Q CA 1.454 57.269 55.803 0.020 0.000 1.121 328 Q CB -1.162 27.587 28.738 0.019 0.000 1.503 328 Q HN 0.851 nan 8.270 nan 0.000 0.544 329 M N -0.511 119.098 119.600 0.015 0.000 2.159 329 M HA -0.116 4.368 4.480 0.006 0.000 0.263 329 M C 1.231 177.540 176.300 0.015 0.000 1.063 329 M CA 1.551 56.858 55.300 0.012 0.000 1.110 329 M CB 0.091 32.697 32.600 0.011 0.000 1.374 329 M HN 0.255 nan 8.290 nan 0.000 0.411 330 L N -0.625 120.611 121.223 0.022 0.000 3.193 330 L HA 0.172 4.516 4.340 0.006 0.000 0.305 330 L C 1.146 178.033 176.870 0.030 0.000 1.299 330 L CA -0.361 54.493 54.840 0.023 0.000 0.904 330 L CB 0.298 42.374 42.059 0.028 0.000 1.331 330 L HN 0.053 nan 8.230 nan 0.000 0.588 331 E N 1.335 121.551 120.200 0.028 0.000 2.097 331 E HA -0.244 4.110 4.350 0.006 0.000 0.196 331 E C 2.165 178.788 176.600 0.038 0.000 1.000 331 E CA 2.103 58.523 56.400 0.034 0.000 0.804 331 E CB 0.194 29.912 29.700 0.030 0.000 0.740 331 E HN 0.509 nan 8.360 nan 0.000 0.454 332 S N -0.478 115.239 115.700 0.029 0.000 2.469 332 S HA -0.155 4.319 4.470 0.006 0.000 0.238 332 S C 1.836 176.460 174.600 0.040 0.000 0.998 332 S CA 1.152 59.370 58.200 0.029 0.000 0.957 332 S CB -0.378 62.829 63.200 0.013 0.000 0.764 332 S HN 0.315 nan 8.310 nan 0.000 0.514 333 M N 0.618 120.245 119.600 0.044 0.000 2.686 333 M HA 0.188 4.672 4.480 0.006 0.000 0.246 333 M C 1.508 177.901 176.300 0.154 0.000 1.096 333 M CA 0.576 55.918 55.300 0.070 0.000 1.076 333 M CB -0.625 32.004 32.600 0.050 0.000 1.504 333 M HN 0.340 nan 8.290 nan 0.000 0.524 334 I N 0.396 121.035 120.570 0.115 0.000 2.361 334 I HA -0.284 3.890 4.170 0.006 0.000 0.251 334 I C 2.115 178.324 176.117 0.153 0.000 1.133 334 I CA 1.208 62.576 61.300 0.114 0.000 1.413 334 I CB -0.179 37.863 38.000 0.070 0.000 1.073 334 I HN 0.247 nan 8.210 nan 0.000 0.424 335 K N 0.059 120.559 120.400 0.165 0.000 2.425 335 K HA 0.296 4.620 4.320 0.006 0.000 0.201 335 K C 0.125 176.890 176.600 0.274 0.000 1.128 335 K CA 0.303 56.702 56.287 0.188 0.000 1.000 335 K CB 0.770 33.330 32.500 0.100 0.000 0.961 335 K HN 0.201 nan 8.250 nan 0.000 0.555 336 K N 1.201 121.692 120.400 0.152 0.000 2.318 336 K HA 0.260 4.584 4.320 0.006 0.000 0.249 336 K C -2.182 174.127 176.600 -0.486 0.000 0.942 336 K CA -1.905 54.331 56.287 -0.085 0.000 0.808 336 K CB 2.382 34.845 32.500 -0.061 0.000 1.189 336 K HN -0.298 nan 8.250 nan 0.000 0.428 337 P HA -0.018 nan 4.420 nan 0.000 0.241 337 P C -0.530 176.538 177.300 -0.387 0.000 1.191 337 P CA 0.581 63.083 63.100 -0.996 0.000 0.771 337 P CB 0.568 31.771 31.700 -0.829 0.000 0.929 338 R N 0.302 120.657 120.500 -0.243 0.000 2.744 338 R HA 0.488 4.832 4.340 0.006 0.000 0.279 338 R C -2.660 173.590 176.300 -0.082 0.000 0.977 338 R CA -2.142 53.883 56.100 -0.126 0.000 0.906 338 R CB 1.946 32.189 30.300 -0.095 0.000 1.197 338 R HN -0.032 nan 8.270 nan 0.000 0.463 339 P HA 0.074 nan 4.420 nan 0.000 0.278 339 P C -0.309 176.977 177.300 -0.023 0.000 1.266 339 P CA -0.367 62.717 63.100 -0.026 0.000 0.807 339 P CB 0.728 32.420 31.700 -0.013 0.000 1.094 340 T N -1.146 113.400 114.554 -0.014 0.000 2.788 340 T HA 0.187 4.541 4.350 0.006 0.000 0.287 340 T C 1.497 176.189 174.700 -0.013 0.000 1.007 340 T CA -0.599 61.493 62.100 -0.013 0.000 1.005 340 T CB 0.396 69.260 68.868 -0.008 0.000 1.012 340 T HN 0.188 nan 8.240 nan 0.000 0.530 341 R N 0.951 121.442 120.500 -0.014 0.000 2.120 341 R HA 0.007 4.351 4.340 0.006 0.000 0.234 341 R C 2.644 178.936 176.300 -0.014 0.000 1.123 341 R CA 1.473 57.564 56.100 -0.015 0.000 0.975 341 R CB -1.828 28.462 30.300 -0.016 0.000 0.866 341 R HN 0.854 nan 8.270 nan 0.000 0.446 342 A N 1.299 124.111 122.820 -0.014 0.000 1.930 342 A HA -0.160 4.164 4.320 0.006 0.000 0.217 342 A C 2.051 179.628 177.584 -0.010 0.000 1.175 342 A CA 1.345 53.373 52.037 -0.015 0.000 0.627 342 A CB -0.277 18.714 19.000 -0.014 0.000 0.815 342 A HN 0.356 nan 8.150 nan 0.000 0.443 343 E N -0.626 119.570 120.200 -0.006 0.000 2.072 343 E HA -0.075 4.278 4.350 0.006 0.000 0.191 343 E C 2.175 178.774 176.600 -0.002 0.000 0.985 343 E CA 0.728 57.127 56.400 -0.002 0.000 0.801 343 E CB -0.383 29.317 29.700 0.001 0.000 0.750 343 E HN 0.593 nan 8.360 nan 0.000 0.452 344 G N 0.675 109.472 108.800 -0.005 0.000 2.446 344 G HA2 -0.356 3.608 3.960 0.006 0.000 0.217 344 G HA3 -0.356 3.608 3.960 0.006 0.000 0.217 344 G C 1.652 176.549 174.900 -0.005 0.000 1.168 344 G CA 1.114 46.211 45.100 -0.005 0.000 0.771 344 G HN 0.302 nan 8.290 nan 0.000 0.551 345 S N 0.383 116.078 115.700 -0.008 0.000 2.356 345 S HA -0.192 4.281 4.470 0.006 0.000 0.223 345 S C 2.100 176.697 174.600 -0.005 0.000 1.032 345 S CA 2.073 60.267 58.200 -0.009 0.000 1.005 345 S CB -0.530 62.660 63.200 -0.017 0.000 0.867 345 S HN 0.421 nan 8.310 nan 0.000 0.449 346 D N 0.214 120.611 120.400 -0.006 0.000 2.116 346 D HA -0.108 4.536 4.640 0.006 0.000 0.193 346 D C 1.907 178.209 176.300 0.003 0.000 0.998 346 D CA 1.683 55.682 54.000 -0.002 0.000 0.836 346 D CB -0.375 40.424 40.800 -0.001 0.000 0.951 346 D HN 0.313 nan 8.370 nan 0.000 0.449 347 V N 0.736 120.652 119.914 0.004 0.000 2.295 347 V HA -0.220 3.904 4.120 0.006 0.000 0.246 347 V C 2.604 178.703 176.094 0.008 0.000 1.049 347 V CA 1.878 64.182 62.300 0.006 0.000 1.024 347 V CB -1.076 30.752 31.823 0.009 0.000 0.648 347 V HN 0.353 nan 8.190 nan 0.000 0.447 348 A N 0.298 123.123 122.820 0.007 0.000 1.908 348 A HA -0.253 4.071 4.320 0.006 0.000 0.218 348 A C 2.095 179.690 177.584 0.018 0.000 1.181 348 A CA 2.132 54.175 52.037 0.011 0.000 0.627 348 A CB -0.699 18.305 19.000 0.008 0.000 0.818 348 A HN 0.601 nan 8.150 nan 0.000 0.445 349 N N 0.100 118.810 118.700 0.016 0.000 2.244 349 N HA -0.068 4.676 4.740 0.006 0.000 0.183 349 N C 1.895 177.417 175.510 0.019 0.000 1.016 349 N CA 1.256 54.319 53.050 0.023 0.000 0.866 349 N CB -0.371 38.126 38.487 0.018 0.000 0.980 349 N HN 0.486 nan 8.380 nan 0.000 0.430 350 A N 0.781 123.608 122.820 0.011 0.000 1.933 350 A HA -0.069 4.255 4.320 0.006 0.000 0.218 350 A C 2.501 180.088 177.584 0.005 0.000 1.175 350 A CA 1.125 53.164 52.037 0.003 0.000 0.628 350 A CB -0.624 18.374 19.000 -0.003 0.000 0.814 350 A HN 0.092 nan 8.150 nan 0.000 0.444 351 V N 0.078 119.999 119.914 0.012 0.000 2.307 351 V HA -0.229 3.894 4.120 0.006 0.000 0.245 351 V C 2.542 178.649 176.094 0.021 0.000 1.045 351 V CA 1.849 64.159 62.300 0.018 0.000 1.024 351 V CB -0.769 31.067 31.823 0.022 0.000 0.651 351 V HN 0.564 nan 8.190 nan 0.000 0.449 352 L N -0.188 121.053 121.223 0.030 0.000 2.083 352 L HA -0.191 4.153 4.340 0.006 0.000 0.209 352 L C 2.351 179.234 176.870 0.022 0.000 1.083 352 L CA 1.452 56.317 54.840 0.041 0.000 0.752 352 L CB -0.757 41.346 42.059 0.074 0.000 0.899 352 L HN 0.333 nan 8.230 nan 0.000 0.433 353 D N 0.064 120.472 120.400 0.012 0.000 2.149 353 D HA -0.111 4.533 4.640 0.006 0.000 0.198 353 D C 1.665 177.954 176.300 -0.019 0.000 0.990 353 D CA 1.664 55.660 54.000 -0.007 0.000 0.839 353 D CB -0.006 40.788 40.800 -0.010 0.000 0.948 353 D HN 0.451 nan 8.370 nan 0.000 0.460 354 G N -0.887 107.907 108.800 -0.010 0.000 2.173 354 G HA2 -0.028 3.936 3.960 0.006 0.000 0.142 354 G HA3 -0.028 3.936 3.960 0.006 0.000 0.142 354 G C 0.310 175.203 174.900 -0.012 0.000 1.019 354 G CA 0.092 45.186 45.100 -0.009 0.000 0.699 354 G HN 0.532 nan 8.290 nan 0.000 0.495 355 A N 0.515 123.325 122.820 -0.016 0.000 2.546 355 A HA 0.455 4.779 4.320 0.006 0.000 0.243 355 A C 1.279 178.854 177.584 -0.014 0.000 1.063 355 A CA 1.024 53.045 52.037 -0.027 0.000 0.757 355 A CB 0.224 19.206 19.000 -0.030 0.000 0.991 355 A HN 0.294 nan 8.150 nan 0.000 0.503 356 D N 0.841 121.222 120.400 -0.032 0.000 2.149 356 D HA -0.034 4.609 4.640 0.006 0.000 0.201 356 D C 0.203 176.503 176.300 -0.001 0.000 0.972 356 D CA 1.308 55.297 54.000 -0.017 0.000 0.835 356 D CB 0.118 40.874 40.800 -0.074 0.000 0.966 356 D HN 0.553 nan 8.370 nan 0.000 0.476 357 C N 0.518 119.801 119.300 -0.027 0.000 2.802 357 C HA 0.626 5.090 4.460 0.006 0.000 0.307 357 C C -0.063 174.911 174.990 -0.026 0.000 1.222 357 C CA -1.025 57.985 59.018 -0.014 0.000 1.580 357 C CB 1.950 29.676 27.740 -0.024 0.000 2.119 357 C HN 0.177 nan 8.230 nan 0.000 0.479 358 I N 0.162 120.728 120.570 -0.007 0.000 2.846 358 I HA 0.811 4.985 4.170 0.006 0.000 0.307 358 I C -0.851 175.265 176.117 -0.002 0.000 1.053 358 I CA -0.827 60.467 61.300 -0.010 0.000 1.050 358 I CB 1.800 39.803 38.000 0.005 0.000 1.239 358 I HN 0.691 nan 8.210 nan 0.000 0.439 359 M N 4.324 123.921 119.600 -0.004 0.000 2.591 359 M HA 0.638 5.122 4.480 0.006 0.000 0.306 359 M C -2.046 174.270 176.300 0.027 0.000 1.190 359 M CA -0.697 54.610 55.300 0.013 0.000 0.889 359 M CB 2.707 35.301 32.600 -0.010 0.000 1.728 359 M HN 0.636 nan 8.290 nan 0.000 0.458 360 L N 1.712 122.963 121.223 0.047 0.000 2.365 360 L HA 0.568 4.912 4.340 0.006 0.000 0.273 360 L C -0.294 176.616 176.870 0.067 0.000 1.000 360 L CA -0.296 54.576 54.840 0.053 0.000 0.819 360 L CB 2.237 44.329 42.059 0.055 0.000 1.284 360 L HN 0.798 nan 8.230 nan 0.000 0.418 361 S N 0.800 116.538 115.700 0.065 0.000 3.290 361 S HA 0.183 4.657 4.470 0.006 0.000 0.176 361 S C 1.534 176.179 174.600 0.075 0.000 0.815 361 S CA 0.385 58.631 58.200 0.077 0.000 1.075 361 S CB -0.159 63.084 63.200 0.071 0.000 0.879 361 S HN 0.869 nan 8.310 nan 0.000 0.795 362 G N 1.265 110.105 108.800 0.066 0.000 2.450 362 G HA2 -0.202 3.762 3.960 0.006 0.000 0.220 362 G HA3 -0.202 3.762 3.960 0.006 0.000 0.220 362 G C 1.001 175.936 174.900 0.059 0.000 1.130 362 G CA 1.216 46.352 45.100 0.059 0.000 0.760 362 G HN 0.538 nan 8.290 nan 0.000 0.557 363 E N 0.100 120.338 120.200 0.062 0.000 2.118 363 E HA -0.115 4.239 4.350 0.006 0.000 0.195 363 E C 2.753 179.395 176.600 0.070 0.000 0.992 363 E CA 1.877 58.318 56.400 0.069 0.000 0.804 363 E CB -0.253 29.487 29.700 0.066 0.000 0.741 363 E HN 0.624 nan 8.360 nan 0.000 0.458 364 T N -2.963 111.630 114.554 0.066 0.000 3.023 364 T HA 0.371 4.725 4.350 0.006 0.000 0.249 364 T C 1.956 176.693 174.700 0.061 0.000 1.050 364 T CA 0.248 62.386 62.100 0.063 0.000 1.088 364 T CB 0.143 69.049 68.868 0.063 0.000 0.946 364 T HN 0.139 nan 8.240 nan 0.000 0.480 365 A N 3.092 125.953 122.820 0.069 0.000 1.897 365 A HA 0.110 4.433 4.320 0.006 0.000 0.215 365 A C 2.180 179.796 177.584 0.055 0.000 1.181 365 A CA 1.532 53.614 52.037 0.075 0.000 0.620 365 A CB -0.293 18.761 19.000 0.090 0.000 0.821 365 A HN 0.734 nan 8.150 nan 0.000 0.443 366 K N -2.143 118.281 120.400 0.040 0.000 2.562 366 K HA 0.299 4.622 4.320 0.006 0.000 0.218 366 K C 0.874 177.480 176.600 0.010 0.000 1.374 366 K CA 0.328 56.628 56.287 0.020 0.000 0.996 366 K CB -0.097 32.410 32.500 0.011 0.000 1.127 366 K HN 0.236 nan 8.250 nan 0.000 0.603 367 G N 0.939 109.753 108.800 0.022 0.000 2.651 367 G HA2 0.038 4.001 3.960 0.006 0.000 0.260 367 G HA3 0.038 4.001 3.960 0.006 0.000 0.260 367 G C -0.286 174.593 174.900 -0.035 0.000 1.216 367 G CA -0.246 44.866 45.100 0.021 0.000 0.913 367 G HN 0.111 nan 8.290 nan 0.000 0.535 368 D N -1.204 119.142 120.400 -0.089 0.000 2.348 368 D HA 0.040 4.683 4.640 0.006 0.000 0.211 368 D C -0.095 175.840 176.300 -0.607 0.000 0.998 368 D CA 0.955 54.740 54.000 -0.358 0.000 0.873 368 D CB 0.263 40.773 40.800 -0.483 0.000 0.925 368 D HN 0.372 nan 8.370 nan 0.000 0.524 369 Y N -0.417 119.894 120.300 0.018 0.000 2.555 369 Y HA 0.210 4.764 4.550 0.006 0.000 0.317 369 Y C -1.698 174.215 175.900 0.021 0.000 0.928 369 Y CA -1.633 56.477 58.100 0.018 0.000 1.116 369 Y CB 1.204 39.674 38.460 0.017 0.000 1.169 369 Y HN -0.090 nan 8.280 nan 0.000 0.627 370 P HA -0.163 nan 4.420 nan 0.000 0.216 370 P C 1.428 178.777 177.300 0.081 0.000 1.153 370 P CA 1.451 64.600 63.100 0.080 0.000 0.848 370 P CB 0.658 32.386 31.700 0.048 0.000 0.787 371 L N -0.330 120.941 121.223 0.080 0.000 2.056 371 L HA -0.119 4.224 4.340 0.006 0.000 0.207 371 L C 2.730 179.646 176.870 0.076 0.000 1.078 371 L CA 1.409 56.289 54.840 0.067 0.000 0.749 371 L CB -1.045 41.050 42.059 0.060 0.000 0.901 371 L HN -0.064 nan 8.230 nan 0.000 0.433 372 E N 0.522 120.789 120.200 0.111 0.000 2.110 372 E HA -0.199 4.154 4.350 0.006 0.000 0.193 372 E C 2.288 178.930 176.600 0.069 0.000 0.988 372 E CA 1.387 57.839 56.400 0.088 0.000 0.804 372 E CB -0.256 29.500 29.700 0.094 0.000 0.745 372 E HN 0.473 nan 8.360 nan 0.000 0.458 373 A N 1.131 124.002 122.820 0.085 0.000 1.877 373 A HA -0.137 4.187 4.320 0.006 0.000 0.216 373 A C 2.654 180.275 177.584 0.061 0.000 1.186 373 A CA 1.545 53.623 52.037 0.068 0.000 0.620 373 A CB -0.748 18.299 19.000 0.078 0.000 0.822 373 A HN 0.136 nan 8.150 nan 0.000 0.443 374 V N 0.109 120.059 119.914 0.060 0.000 2.287 374 V HA -0.307 3.817 4.120 0.006 0.000 0.248 374 V C 2.643 178.779 176.094 0.071 0.000 1.053 374 V CA 2.383 64.716 62.300 0.055 0.000 1.027 374 V CB -0.888 30.956 31.823 0.035 0.000 0.646 374 V HN 0.535 nan 8.190 nan 0.000 0.447 375 R N -0.867 119.670 120.500 0.062 0.000 2.096 375 R HA -0.185 4.159 4.340 0.006 0.000 0.235 375 R C 2.240 178.607 176.300 0.112 0.000 1.127 375 R CA 1.853 57.999 56.100 0.078 0.000 0.968 375 R CB -0.433 29.898 30.300 0.052 0.000 0.861 375 R HN 0.404 nan 8.270 nan 0.000 0.440 376 M N 1.011 120.656 119.600 0.075 0.000 2.132 376 M HA -0.136 4.348 4.480 0.006 0.000 0.263 376 M C 1.896 178.234 176.300 0.063 0.000 1.065 376 M CA 1.719 57.054 55.300 0.058 0.000 1.122 376 M CB -0.104 32.515 32.600 0.033 0.000 1.365 376 M HN 0.032 nan 8.290 nan 0.000 0.411 377 Q N -1.131 118.712 119.800 0.071 0.000 2.096 377 Q HA -0.257 4.087 4.340 0.006 0.000 0.204 377 Q C 2.231 178.282 176.000 0.085 0.000 0.982 377 Q CA 1.831 57.673 55.803 0.066 0.000 0.850 377 Q CB -0.630 28.146 28.738 0.063 0.000 0.901 377 Q HN 0.707 nan 8.270 nan 0.000 0.422 378 H N 0.811 119.896 119.070 0.025 0.000 2.290 378 H HA -0.126 4.434 4.556 0.007 0.000 0.298 378 H C 2.064 177.410 175.328 0.030 0.000 1.087 378 H CA 1.417 57.484 56.048 0.031 0.000 1.291 378 H CB -0.037 29.745 29.762 0.033 0.000 1.369 378 H HN 0.198 nan 8.280 nan 0.000 0.492 379 L N 0.253 121.488 121.223 0.019 0.000 2.046 379 L HA -0.190 4.153 4.340 0.006 0.000 0.208 379 L C 2.885 179.719 176.870 -0.061 0.000 1.077 379 L CA 1.107 55.922 54.840 -0.042 0.000 0.747 379 L CB -0.323 41.757 42.059 0.036 0.000 0.896 379 L HN 0.267 nan 8.230 nan 0.000 0.432 380 I N -0.244 120.312 120.570 -0.024 0.000 2.252 380 I HA -0.239 3.935 4.170 0.006 0.000 0.245 380 I C 2.827 178.927 176.117 -0.029 0.000 1.102 380 I CA 1.029 62.318 61.300 -0.018 0.000 1.385 380 I CB -0.520 37.480 38.000 -0.001 0.000 1.064 380 I HN 0.170 nan 8.210 nan 0.000 0.414 381 A N 1.082 123.880 122.820 -0.037 0.000 1.908 381 A HA -0.231 4.092 4.320 0.006 0.000 0.218 381 A C 2.429 179.983 177.584 -0.051 0.000 1.181 381 A CA 1.669 53.686 52.037 -0.032 0.000 0.627 381 A CB -0.614 18.374 19.000 -0.020 0.000 0.818 381 A HN 0.326 nan 8.150 nan 0.000 0.445 382 R N -0.662 119.767 120.500 -0.118 0.000 2.081 382 R HA -0.096 4.247 4.340 0.006 0.000 0.235 382 R C 2.072 178.347 176.300 -0.041 0.000 1.131 382 R CA 1.285 57.323 56.100 -0.104 0.000 0.960 382 R CB -0.300 29.894 30.300 -0.177 0.000 0.856 382 R HN 0.566 nan 8.270 nan 0.000 0.436 383 E N 0.662 120.839 120.200 -0.038 0.000 2.051 383 E HA -0.142 4.211 4.350 0.006 0.000 0.192 383 E C 2.001 178.606 176.600 0.009 0.000 0.991 383 E CA 1.333 57.725 56.400 -0.014 0.000 0.799 383 E CB -0.146 29.543 29.700 -0.017 0.000 0.748 383 E HN 0.313 nan 8.360 nan 0.000 0.449 384 A N 1.327 124.153 122.820 0.010 0.000 1.930 384 A HA -0.182 4.142 4.320 0.006 0.000 0.217 384 A C 2.014 179.630 177.584 0.053 0.000 1.175 384 A CA 1.343 53.398 52.037 0.029 0.000 0.627 384 A CB -0.404 18.610 19.000 0.023 0.000 0.815 384 A HN 0.183 nan 8.150 nan 0.000 0.443 385 E N -0.093 120.140 120.200 0.055 0.000 2.085 385 E HA -0.158 4.195 4.350 0.006 0.000 0.194 385 E C 2.249 178.955 176.600 0.178 0.000 0.994 385 E CA 1.197 57.658 56.400 0.102 0.000 0.801 385 E CB -0.289 29.460 29.700 0.083 0.000 0.743 385 E HN 0.626 nan 8.360 nan 0.000 0.453 386 A N 1.040 123.941 122.820 0.135 0.000 1.969 386 A HA -0.018 4.305 4.320 0.006 0.000 0.218 386 A C 2.262 179.961 177.584 0.190 0.000 1.169 386 A CA 1.417 53.555 52.037 0.169 0.000 0.635 386 A CB -0.390 18.659 19.000 0.082 0.000 0.810 386 A HN 0.277 nan 8.150 nan 0.000 0.445 387 A N -0.894 122.001 122.820 0.126 0.000 2.206 387 A HA 0.334 4.657 4.320 0.006 0.000 0.211 387 A C 1.119 178.849 177.584 0.244 0.000 1.158 387 A CA -0.009 52.104 52.037 0.128 0.000 0.761 387 A CB -0.542 18.491 19.000 0.055 0.000 0.801 387 A HN 0.563 nan 8.150 nan 0.000 0.473 388 M N -0.915 118.755 119.600 0.118 0.000 2.250 388 M HA 0.100 4.584 4.480 0.006 0.000 0.325 388 M C 0.006 176.290 176.300 -0.026 0.000 1.084 388 M CA 0.508 55.783 55.300 -0.042 0.000 1.161 388 M CB 0.188 32.568 32.600 -0.367 0.000 1.481 388 M HN 0.397 nan 8.290 nan 0.000 0.449 389 F N 3.304 123.060 119.950 -0.324 0.000 2.467 389 F HA 0.159 4.696 4.527 0.017 0.000 0.349 389 F C 1.207 176.867 175.800 -0.233 0.000 1.182 389 F CA -0.654 57.065 58.000 -0.467 0.000 1.279 389 F CB -0.041 38.622 39.000 -0.562 0.000 1.626 389 F HN 0.667 nan 8.300 nan 0.000 0.596 390 H N 2.304 121.442 119.070 0.114 0.000 2.387 390 H HA -0.194 4.365 4.556 0.005 0.000 0.299 390 H C 2.283 177.498 175.328 -0.187 0.000 1.099 390 H CA 1.409 57.435 56.048 -0.036 0.000 1.315 390 H CB 0.030 29.703 29.762 -0.149 0.000 1.380 390 H HN 0.573 nan 8.280 nan 0.000 0.513 391 R N 1.123 121.524 120.500 -0.164 0.000 2.073 391 R HA -0.118 4.226 4.340 0.006 0.000 0.234 391 R C 2.136 178.294 176.300 -0.237 0.000 1.134 391 R CA 1.142 57.098 56.100 -0.240 0.000 0.952 391 R CB 0.190 30.378 30.300 -0.185 0.000 0.850 391 R HN 0.115 nan 8.270 nan 0.000 0.433 392 K N 0.596 120.638 120.400 -0.597 0.000 2.062 392 K HA -0.129 4.194 4.320 0.006 0.000 0.205 392 K C 2.058 178.525 176.600 -0.222 0.000 1.051 392 K CA 0.645 56.613 56.287 -0.531 0.000 0.941 392 K CB -0.550 31.383 32.500 -0.945 0.000 0.719 392 K HN 0.155 nan 8.250 nan 0.000 0.440 393 L N 0.819 121.951 121.223 -0.151 0.000 2.012 393 L HA -0.160 4.184 4.340 0.006 0.000 0.210 393 L C 2.214 179.144 176.870 0.100 0.000 1.073 393 L CA 1.585 56.413 54.840 -0.019 0.000 0.748 393 L CB -0.820 41.246 42.059 0.012 0.000 0.891 393 L HN 0.084 nan 8.230 nan 0.000 0.431 394 F N 0.609 120.602 119.950 0.072 0.000 2.102 394 F HA -0.218 4.307 4.527 -0.004 0.000 0.298 394 F C 2.355 178.226 175.800 0.119 0.000 1.105 394 F CA 2.066 60.182 58.000 0.193 0.000 1.239 394 F CB -0.285 38.919 39.000 0.338 0.000 0.991 394 F HN 0.244 nan 8.300 nan 0.000 0.474 395 E N -0.032 120.254 120.200 0.143 0.000 2.097 395 E HA -0.258 4.096 4.350 0.006 0.000 0.196 395 E C 2.107 178.665 176.600 -0.069 0.000 1.000 395 E CA 1.855 58.263 56.400 0.013 0.000 0.804 395 E CB -0.280 29.427 29.700 0.011 0.000 0.740 395 E HN 0.609 nan 8.360 nan 0.000 0.454 396 E N 0.399 120.562 120.200 -0.062 0.000 2.107 396 E HA -0.120 4.233 4.350 0.006 0.000 0.191 396 E C 2.251 178.813 176.600 -0.063 0.000 0.982 396 E CA 0.519 56.879 56.400 -0.067 0.000 0.809 396 E CB 0.003 29.657 29.700 -0.076 0.000 0.756 396 E HN 0.237 nan 8.360 nan 0.000 0.459 397 L N 0.759 121.946 121.223 -0.061 0.000 2.056 397 L HA -0.157 4.187 4.340 0.006 0.000 0.207 397 L C 2.626 179.495 176.870 -0.001 0.000 1.078 397 L CA 1.019 55.831 54.840 -0.046 0.000 0.749 397 L CB -0.463 41.567 42.059 -0.048 0.000 0.901 397 L HN 0.128 nan 8.230 nan 0.000 0.433 398 A N 0.179 122.936 122.820 -0.105 0.000 1.902 398 A HA -0.268 4.056 4.320 0.006 0.000 0.217 398 A C 2.332 179.873 177.584 -0.072 0.000 1.181 398 A CA 1.955 53.905 52.037 -0.145 0.000 0.623 398 A CB -0.503 18.265 19.000 -0.387 0.000 0.818 398 A HN 0.305 nan 8.150 nan 0.000 0.443 399 R N 0.250 120.709 120.500 -0.069 0.000 2.073 399 R HA -0.044 4.300 4.340 0.006 0.000 0.234 399 R C 2.122 178.405 176.300 -0.029 0.000 1.134 399 R CA 2.055 58.129 56.100 -0.044 0.000 0.952 399 R CB -0.904 29.370 30.300 -0.043 0.000 0.850 399 R HN 0.380 nan 8.270 nan 0.000 0.433 400 A N -0.420 122.384 122.820 -0.027 0.000 1.972 400 A HA -0.110 4.214 4.320 0.006 0.000 0.219 400 A C 1.952 179.532 177.584 -0.006 0.000 1.169 400 A CA 1.756 53.782 52.037 -0.019 0.000 0.635 400 A CB -0.569 18.415 19.000 -0.027 0.000 0.810 400 A HN 0.553 nan 8.150 nan 0.000 0.446 401 S N -0.301 115.406 115.700 0.012 0.000 2.577 401 S HA 0.057 4.531 4.470 0.006 0.000 0.219 401 S C 1.453 176.065 174.600 0.020 0.000 0.962 401 S CA 0.681 58.901 58.200 0.034 0.000 0.921 401 S CB -0.418 62.847 63.200 0.108 0.000 0.789 401 S HN 0.731 nan 8.310 nan 0.000 0.497 402 S N 1.971 117.670 115.700 -0.002 0.000 2.474 402 S HA -0.168 4.306 4.470 0.006 0.000 0.235 402 S C 1.983 176.576 174.600 -0.011 0.000 0.997 402 S CA 0.659 58.850 58.200 -0.014 0.000 0.949 402 S CB -0.538 62.649 63.200 -0.022 0.000 0.766 402 S HN 0.727 nan 8.310 nan 0.000 0.517 403 Q N 1.950 121.746 119.800 -0.007 0.000 2.297 403 Q HA 0.082 4.425 4.340 0.006 0.000 0.204 403 Q C 0.815 176.810 176.000 -0.008 0.000 0.962 403 Q CA 1.027 56.825 55.803 -0.008 0.000 0.879 403 Q CB -0.677 28.057 28.738 -0.006 0.000 0.947 403 Q HN 0.498 nan 8.270 nan 0.000 0.462 404 S N 1.101 116.800 115.700 -0.003 0.000 2.537 404 S HA 0.279 4.753 4.470 0.006 0.000 0.275 404 S C 0.350 174.941 174.600 -0.014 0.000 1.272 404 S CA -0.031 58.166 58.200 -0.005 0.000 1.050 404 S CB 1.019 64.224 63.200 0.009 0.000 0.961 404 S HN 0.427 nan 8.310 nan 0.000 0.496 405 T N 0.975 115.515 114.554 -0.023 0.000 3.228 405 T HA 0.234 4.588 4.350 0.006 0.000 0.278 405 T C -0.012 174.659 174.700 -0.047 0.000 1.014 405 T CA -0.551 61.530 62.100 -0.032 0.000 0.904 405 T CB -0.502 68.349 68.868 -0.027 0.000 1.110 405 T HN 0.651 nan 8.240 nan 0.000 0.541 406 D N 1.091 121.460 120.400 -0.052 0.000 2.525 406 D HA 0.058 4.702 4.640 0.006 0.000 0.235 406 D C 1.307 177.529 176.300 -0.128 0.000 1.137 406 D CA -0.072 53.874 54.000 -0.090 0.000 0.868 406 D CB 0.546 41.302 40.800 -0.072 0.000 1.180 406 D HN 0.157 nan 8.370 nan 0.000 0.465 407 L N 3.155 124.245 121.223 -0.222 0.000 2.056 407 L HA -0.130 4.213 4.340 0.006 0.000 0.207 407 L C 2.226 178.922 176.870 -0.290 0.000 1.078 407 L CA 0.680 55.369 54.840 -0.251 0.000 0.749 407 L CB -0.454 41.414 42.059 -0.318 0.000 0.901 407 L HN 0.625 nan 8.230 nan 0.000 0.433 408 M N 0.296 119.597 119.600 -0.499 0.000 2.159 408 M HA -0.179 4.305 4.480 0.006 0.000 0.263 408 M C 2.011 178.295 176.300 -0.027 0.000 1.063 408 M CA 1.718 56.885 55.300 -0.222 0.000 1.110 408 M CB -0.359 32.110 32.600 -0.218 0.000 1.374 408 M HN 0.106 nan 8.290 nan 0.000 0.411 409 E N -0.439 119.741 120.200 -0.033 0.000 2.085 409 E HA -0.191 4.162 4.350 0.006 0.000 0.194 409 E C 1.960 178.526 176.600 -0.057 0.000 0.994 409 E CA 1.273 57.693 56.400 0.034 0.000 0.801 409 E CB -0.281 29.454 29.700 0.058 0.000 0.743 409 E HN 0.661 nan 8.360 nan 0.000 0.453 410 A N 1.103 123.889 122.820 -0.055 0.000 1.902 410 A HA -0.196 4.128 4.320 0.006 0.000 0.217 410 A C 2.135 179.714 177.584 -0.009 0.000 1.181 410 A CA 1.311 53.318 52.037 -0.049 0.000 0.623 410 A CB -0.304 18.680 19.000 -0.026 0.000 0.818 410 A HN 0.132 nan 8.150 nan 0.000 0.443 411 M N -0.390 119.239 119.600 0.050 0.000 2.117 411 M HA -0.105 4.379 4.480 0.006 0.000 0.262 411 M C 2.519 178.854 176.300 0.058 0.000 1.065 411 M CA 1.575 56.928 55.300 0.088 0.000 1.114 411 M CB -1.557 31.160 32.600 0.194 0.000 1.361 411 M HN 0.492 nan 8.290 nan 0.000 0.408 412 A N 0.137 122.994 122.820 0.062 0.000 1.877 412 A HA -0.159 4.165 4.320 0.006 0.000 0.216 412 A C 2.263 179.863 177.584 0.028 0.000 1.186 412 A CA 1.678 53.767 52.037 0.086 0.000 0.620 412 A CB -0.586 18.528 19.000 0.190 0.000 0.822 412 A HN 0.467 nan 8.150 nan 0.000 0.443 413 M N -0.645 118.887 119.600 -0.114 0.000 2.117 413 M HA -0.086 4.398 4.480 0.006 0.000 0.262 413 M C 2.315 178.643 176.300 0.046 0.000 1.065 413 M CA 1.405 56.657 55.300 -0.081 0.000 1.114 413 M CB -0.569 31.851 32.600 -0.302 0.000 1.361 413 M HN 0.519 nan 8.290 nan 0.000 0.408 414 G N -0.580 108.217 108.800 -0.004 0.000 2.418 414 G HA2 -0.181 3.783 3.960 0.006 0.000 0.217 414 G HA3 -0.181 3.783 3.960 0.006 0.000 0.217 414 G C 1.594 176.464 174.900 -0.050 0.000 1.158 414 G CA 1.155 46.247 45.100 -0.013 0.000 0.771 414 G HN 0.429 nan 8.290 nan 0.000 0.545 415 S N -0.051 115.626 115.700 -0.038 0.000 2.368 415 S HA -0.087 4.387 4.470 0.006 0.000 0.224 415 S C 2.510 177.024 174.600 -0.143 0.000 1.029 415 S CA 1.092 59.257 58.200 -0.059 0.000 0.988 415 S CB -0.253 62.940 63.200 -0.013 0.000 0.838 415 S HN 0.175 nan 8.310 nan 0.000 0.462 416 V N 1.815 121.627 119.914 -0.170 0.000 2.295 416 V HA -0.173 3.950 4.120 0.006 0.000 0.246 416 V C 2.566 178.207 176.094 -0.755 0.000 1.049 416 V CA 2.077 64.131 62.300 -0.411 0.000 1.024 416 V CB -0.687 31.001 31.823 -0.225 0.000 0.648 416 V HN 0.418 nan 8.190 nan 0.000 0.447 417 E N 0.909 120.766 120.200 -0.573 0.000 2.058 417 E HA -0.218 4.136 4.350 0.006 0.000 0.194 417 E C 2.121 178.576 176.600 -0.242 0.000 0.997 417 E CA 1.854 57.976 56.400 -0.463 0.000 0.801 417 E CB -0.538 29.019 29.700 -0.238 0.000 0.746 417 E HN 0.508 nan 8.360 nan 0.000 0.450 418 A N 0.285 122.999 122.820 -0.177 0.000 1.933 418 A HA -0.212 4.112 4.320 0.006 0.000 0.218 418 A C 2.420 179.938 177.584 -0.110 0.000 1.175 418 A CA 2.424 54.398 52.037 -0.105 0.000 0.628 418 A CB -1.123 17.831 19.000 -0.076 0.000 0.814 418 A HN 0.459 nan 8.150 nan 0.000 0.444 419 S N -1.259 114.331 115.700 -0.184 0.000 2.382 419 S HA -0.205 4.269 4.470 0.006 0.000 0.228 419 S C 1.908 176.462 174.600 -0.076 0.000 1.027 419 S CA 1.554 59.660 58.200 -0.157 0.000 0.991 419 S CB -0.771 62.303 63.200 -0.210 0.000 0.823 419 S HN 0.513 nan 8.310 nan 0.000 0.469 420 Y N 2.215 122.437 120.300 -0.131 0.000 2.163 420 Y HA 0.116 4.672 4.550 0.011 0.000 0.288 420 Y C 2.676 178.525 175.900 -0.086 0.000 1.136 420 Y CA 1.046 59.070 58.100 -0.127 0.000 1.147 420 Y CB -1.045 37.309 38.460 -0.176 0.000 0.987 420 Y HN 0.288 nan 8.280 nan 0.000 0.509 421 K N 0.838 121.288 120.400 0.084 0.000 2.026 421 K HA -0.134 4.190 4.320 0.006 0.000 0.208 421 K C 1.943 178.556 176.600 0.022 0.000 1.048 421 K CA 1.874 58.184 56.287 0.039 0.000 0.929 421 K CB -0.792 31.715 32.500 0.012 0.000 0.713 421 K HN 0.462 nan 8.250 nan 0.000 0.439 422 C N -0.044 119.260 119.300 0.006 0.000 2.673 422 C HA 0.463 4.926 4.460 0.006 0.000 0.274 422 C C 0.624 175.616 174.990 0.003 0.000 1.276 422 C CA -0.759 58.259 59.018 -0.001 0.000 1.701 422 C CB -1.498 26.233 27.740 -0.015 0.000 1.836 422 C HN 0.485 nan 8.230 nan 0.000 0.596 423 L N 0.351 121.584 121.223 0.016 0.000 3.660 423 L HA -0.225 4.119 4.340 0.006 0.000 0.440 423 L C 1.064 177.936 176.870 0.004 0.000 1.262 423 L CA 0.293 55.144 54.840 0.018 0.000 0.837 423 L CB -2.290 39.781 42.059 0.020 0.000 1.689 423 L HN 0.689 nan 8.230 nan 0.000 0.890 424 A N 0.036 122.849 122.820 -0.011 0.000 2.520 424 A HA 0.482 4.806 4.320 0.006 0.000 0.235 424 A C 1.406 178.988 177.584 -0.003 0.000 1.065 424 A CA 0.697 52.719 52.037 -0.026 0.000 0.764 424 A CB 0.647 19.619 19.000 -0.047 0.000 1.002 424 A HN 0.698 nan 8.150 nan 0.000 0.502 425 A N 1.311 124.136 122.820 0.008 0.000 2.123 425 A HA 0.525 4.849 4.320 0.006 0.000 0.214 425 A C 1.033 178.708 177.584 0.153 0.000 1.152 425 A CA 1.511 53.610 52.037 0.103 0.000 0.728 425 A CB -0.400 18.722 19.000 0.203 0.000 0.814 425 A HN 2.392 nan 8.150 nan 0.000 0.464 426 A N -1.665 121.201 122.820 0.078 0.000 2.586 426 A HA 0.605 4.929 4.320 0.006 0.000 0.291 426 A C -1.882 175.722 177.584 0.034 0.000 1.062 426 A CA -0.603 51.496 52.037 0.105 0.000 0.666 426 A CB 0.296 19.489 19.000 0.322 0.000 1.281 426 A HN 0.298 nan 8.150 nan 0.000 0.421 427 L N 1.139 122.391 121.223 0.047 0.000 2.325 427 L HA 0.581 4.924 4.340 0.006 0.000 0.281 427 L C -0.555 176.356 176.870 0.069 0.000 1.004 427 L CA 0.022 54.882 54.840 0.032 0.000 0.823 427 L CB 1.472 43.542 42.059 0.020 0.000 1.236 427 L HN 0.579 nan 8.230 nan 0.000 0.415 428 I N 3.888 124.491 120.570 0.056 0.000 2.342 428 I HA 0.399 4.573 4.170 0.006 0.000 0.291 428 I C -0.594 175.556 176.117 0.055 0.000 1.010 428 I CA -0.565 60.780 61.300 0.075 0.000 1.308 428 I CB 1.340 39.376 38.000 0.060 0.000 1.400 428 I HN 0.229 nan 8.210 nan 0.000 0.488 429 V N 7.544 127.495 119.914 0.063 0.000 2.483 429 V HA 0.333 4.456 4.120 0.006 0.000 0.297 429 V C -0.365 175.752 176.094 0.038 0.000 1.027 429 V CA -0.684 61.644 62.300 0.047 0.000 0.855 429 V CB 1.806 33.655 31.823 0.045 0.000 0.995 429 V HN 0.351 nan 8.190 nan 0.000 0.424 430 L N 4.263 125.504 121.223 0.030 0.000 2.260 430 L HA 0.723 5.067 4.340 0.006 0.000 0.289 430 L C 0.309 177.202 176.870 0.039 0.000 1.057 430 L CA 0.752 55.607 54.840 0.024 0.000 0.811 430 L CB 1.268 43.326 42.059 -0.002 0.000 1.184 430 L HN 0.829 nan 8.230 nan 0.000 0.429 431 T N 1.642 116.213 114.554 0.028 0.000 3.041 431 T HA 0.388 4.741 4.350 0.006 0.000 0.321 431 T C 0.366 175.078 174.700 0.019 0.000 1.184 431 T CA -0.442 61.667 62.100 0.016 0.000 1.050 431 T CB 1.117 69.960 68.868 -0.042 0.000 1.159 431 T HN 0.583 nan 8.240 nan 0.000 0.469 432 E N 1.642 121.861 120.200 0.031 0.000 2.162 432 E HA 0.053 4.407 4.350 0.006 0.000 0.193 432 E C 2.173 178.785 176.600 0.020 0.000 0.953 432 E CA 1.209 57.632 56.400 0.038 0.000 0.849 432 E CB -0.175 29.560 29.700 0.059 0.000 0.810 432 E HN 0.694 nan 8.360 nan 0.000 0.470 433 S N -0.781 114.919 115.700 -0.001 0.000 2.496 433 S HA 0.169 4.643 4.470 0.006 0.000 0.224 433 S C 1.713 176.263 174.600 -0.084 0.000 0.996 433 S CA 0.992 59.186 58.200 -0.009 0.000 0.927 433 S CB 0.346 63.547 63.200 0.001 0.000 0.774 433 S HN 0.309 nan 8.310 nan 0.000 0.524 434 G N 1.851 110.535 108.800 -0.194 0.000 2.241 434 G HA2 -0.316 3.648 3.960 0.006 0.000 0.244 434 G HA3 -0.316 3.648 3.960 0.006 0.000 0.244 434 G C 1.071 175.409 174.900 -0.937 0.000 0.998 434 G CA 0.286 45.073 45.100 -0.522 0.000 0.621 434 G HN 0.473 nan 8.290 nan 0.000 0.519 435 R N 0.876 121.074 120.500 -0.503 0.000 2.096 435 R HA -0.092 4.252 4.340 0.006 0.000 0.240 435 R C 2.800 178.974 176.300 -0.211 0.000 1.139 435 R CA 2.059 57.971 56.100 -0.313 0.000 0.952 435 R CB -0.536 29.722 30.300 -0.069 0.000 0.854 435 R HN 0.458 nan 8.270 nan 0.000 0.436 436 S N 0.535 116.168 115.700 -0.113 0.000 2.368 436 S HA -0.147 4.327 4.470 0.006 0.000 0.225 436 S C 2.062 176.641 174.600 -0.034 0.000 1.030 436 S CA 1.254 59.452 58.200 -0.004 0.000 0.999 436 S CB -0.171 63.070 63.200 0.068 0.000 0.844 436 S HN 0.503 nan 8.310 nan 0.000 0.459 437 A N 1.358 124.102 122.820 -0.127 0.000 1.930 437 A HA -0.115 4.209 4.320 0.006 0.000 0.217 437 A C 1.688 179.242 177.584 -0.050 0.000 1.175 437 A CA 1.326 53.318 52.037 -0.075 0.000 0.627 437 A CB -0.896 18.053 19.000 -0.086 0.000 0.815 437 A HN 0.687 nan 8.150 nan 0.000 0.443 438 H N -0.952 117.975 119.070 -0.238 0.000 2.387 438 H HA -0.114 4.445 4.556 0.006 0.000 0.299 438 H C 2.164 177.428 175.328 -0.107 0.000 1.090 438 H CA 1.065 56.868 56.048 -0.408 0.000 1.332 438 H CB 0.122 29.522 29.762 -0.604 0.000 1.386 438 H HN 0.405 nan 8.280 nan 0.000 0.516 439 Q N 0.537 120.391 119.800 0.090 0.000 2.172 439 Q HA -0.073 4.270 4.340 0.006 0.000 0.200 439 Q C 2.675 178.802 176.000 0.213 0.000 0.964 439 Q CA 0.645 56.535 55.803 0.145 0.000 0.855 439 Q CB -0.212 28.611 28.738 0.141 0.000 0.918 439 Q HN 0.361 nan 8.270 nan 0.000 0.444 440 V N 1.292 121.304 119.914 0.162 0.000 2.295 440 V HA -0.239 3.884 4.120 0.006 0.000 0.246 440 V C 2.409 178.616 176.094 0.187 0.000 1.049 440 V CA 1.756 64.164 62.300 0.180 0.000 1.024 440 V CB -1.137 30.753 31.823 0.113 0.000 0.648 440 V HN 0.305 nan 8.190 nan 0.000 0.447 441 A N 0.326 123.237 122.820 0.152 0.000 1.908 441 A HA -0.293 4.030 4.320 0.006 0.000 0.218 441 A C 2.416 180.087 177.584 0.145 0.000 1.181 441 A CA 2.187 54.324 52.037 0.168 0.000 0.627 441 A CB -0.666 18.461 19.000 0.211 0.000 0.818 441 A HN 0.523 nan 8.150 nan 0.000 0.445 442 R N -1.767 118.784 120.500 0.085 0.000 2.127 442 R HA -0.190 4.154 4.340 0.006 0.000 0.238 442 R C 1.013 177.163 176.300 -0.251 0.000 1.134 442 R CA 1.883 57.923 56.100 -0.101 0.000 0.975 442 R CB -0.357 29.816 30.300 -0.212 0.000 0.865 442 R HN 0.567 nan 8.270 nan 0.000 0.447 443 Y N 0.792 121.180 120.300 0.147 0.000 2.461 443 Y HA 0.244 4.795 4.550 0.002 0.000 0.277 443 Y C 0.068 176.158 175.900 0.317 0.000 1.182 443 Y CA -0.134 58.093 58.100 0.212 0.000 1.276 443 Y CB 0.391 39.001 38.460 0.251 0.000 1.087 443 Y HN -0.037 nan 8.280 nan 0.000 0.519 444 R N -0.536 120.149 120.500 0.308 0.000 3.152 444 R HA -0.144 4.200 4.340 0.006 0.000 0.252 444 R C -2.973 173.576 176.300 0.415 0.000 0.930 444 R CA 0.168 56.466 56.100 0.331 0.000 0.642 444 R CB -2.159 28.329 30.300 0.312 0.000 1.205 444 R HN 0.282 nan 8.270 nan 0.000 0.452 445 P HA 0.009 nan 4.420 nan 0.000 0.272 445 P C 0.709 178.112 177.300 0.171 0.000 1.230 445 P CA -0.214 62.940 63.100 0.090 0.000 0.788 445 P CB 0.399 32.074 31.700 -0.043 0.000 0.949 446 R N 0.920 121.433 120.500 0.021 0.000 2.161 446 R HA 0.234 4.577 4.340 0.006 0.000 0.213 446 R C 0.915 177.197 176.300 -0.029 0.000 1.055 446 R CA 0.217 56.240 56.100 -0.128 0.000 0.996 446 R CB -0.659 29.355 30.300 -0.477 0.000 0.901 446 R HN 0.406 nan 8.270 nan 0.000 0.456 447 A N 3.233 126.036 122.820 -0.029 0.000 2.351 447 A HA 0.370 4.694 4.320 0.006 0.000 0.257 447 A C -2.163 175.400 177.584 -0.035 0.000 1.087 447 A CA -1.816 50.200 52.037 -0.035 0.000 0.798 447 A CB 0.018 19.005 19.000 -0.021 0.000 1.033 447 A HN 0.208 nan 8.150 nan 0.000 0.488 448 P HA 0.206 nan 4.420 nan 0.000 0.271 448 P C -0.850 176.457 177.300 0.012 0.000 1.218 448 P CA 0.282 63.317 63.100 -0.108 0.000 0.780 448 P CB 0.486 31.943 31.700 -0.404 0.000 0.901 449 I N 3.349 123.967 120.570 0.080 0.000 2.306 449 I HA 0.285 4.459 4.170 0.006 0.000 0.288 449 I C 0.567 176.797 176.117 0.188 0.000 1.036 449 I CA -0.546 60.826 61.300 0.120 0.000 1.221 449 I CB 0.371 38.442 38.000 0.118 0.000 1.385 449 I HN 0.105 nan 8.210 nan 0.000 0.472 450 I N 6.301 126.992 120.570 0.202 0.000 2.291 450 I HA 0.343 4.517 4.170 0.006 0.000 0.292 450 I C 0.558 176.790 176.117 0.190 0.000 1.064 450 I CA -0.149 61.317 61.300 0.277 0.000 1.269 450 I CB 0.870 39.053 38.000 0.306 0.000 1.418 450 I HN 0.583 nan 8.210 nan 0.000 0.485 451 A N 7.272 130.192 122.820 0.167 0.000 2.253 451 A HA 0.611 4.935 4.320 0.006 0.000 0.316 451 A C -0.327 177.303 177.584 0.076 0.000 1.327 451 A CA -0.446 51.645 52.037 0.091 0.000 0.917 451 A CB 0.570 19.603 19.000 0.054 0.000 1.162 451 A HN 0.465 nan 8.150 nan 0.000 0.535 452 V N 2.664 122.615 119.914 0.063 0.000 2.407 452 V HA 0.642 4.766 4.120 0.006 0.000 0.278 452 V C 0.545 176.657 176.094 0.029 0.000 1.037 452 V CA -0.042 62.287 62.300 0.048 0.000 0.900 452 V CB 1.205 33.053 31.823 0.042 0.000 0.983 452 V HN 0.930 nan 8.190 nan 0.000 0.459 453 T N 4.360 118.930 114.554 0.026 0.000 2.916 453 T HA 0.416 4.769 4.350 0.006 0.000 0.305 453 T C 0.568 175.295 174.700 0.045 0.000 1.119 453 T CA -0.641 61.479 62.100 0.033 0.000 1.008 453 T CB 1.631 70.517 68.868 0.030 0.000 1.129 453 T HN 0.656 nan 8.240 nan 0.000 0.480 454 R N 1.822 122.365 120.500 0.071 0.000 2.300 454 R HA 0.188 4.531 4.340 0.006 0.000 0.199 454 R C 0.487 176.907 176.300 0.199 0.000 0.920 454 R CA -0.149 56.019 56.100 0.113 0.000 1.046 454 R CB 0.182 30.538 30.300 0.094 0.000 0.984 454 R HN 0.369 nan 8.270 nan 0.000 0.493 455 N N 0.851 119.645 118.700 0.158 0.000 2.420 455 N HA -0.016 4.728 4.740 0.006 0.000 0.249 455 N C 0.241 175.893 175.510 0.237 0.000 1.033 455 N CA 0.091 53.247 53.050 0.176 0.000 0.944 455 N CB 0.769 39.314 38.487 0.097 0.000 1.113 455 N HN 0.079 nan 8.380 nan 0.000 0.502 456 H N 1.985 121.078 119.070 0.037 0.000 2.389 456 H HA -0.083 4.477 4.556 0.006 0.000 0.299 456 H C 1.576 176.935 175.328 0.052 0.000 1.081 456 H CA 1.346 57.425 56.048 0.052 0.000 1.345 456 H CB 0.184 29.977 29.762 0.052 0.000 1.393 456 H HN 0.667 nan 8.280 nan 0.000 0.520 457 Q N 0.077 119.982 119.800 0.174 0.000 2.119 457 Q HA -0.136 4.208 4.340 0.006 0.000 0.201 457 Q C 1.712 177.772 176.000 0.100 0.000 0.972 457 Q CA 1.755 57.625 55.803 0.112 0.000 0.847 457 Q CB 0.115 28.900 28.738 0.078 0.000 0.903 457 Q HN 0.402 nan 8.270 nan 0.000 0.433 458 T N 0.736 115.349 114.554 0.098 0.000 2.699 458 T HA -0.209 4.144 4.350 0.006 0.000 0.268 458 T C 1.758 176.497 174.700 0.065 0.000 1.036 458 T CA 1.403 63.556 62.100 0.090 0.000 1.147 458 T CB -0.424 68.483 68.868 0.065 0.000 0.862 458 T HN 0.486 nan 8.240 nan 0.000 0.446 459 A N 1.716 124.559 122.820 0.039 0.000 1.877 459 A HA -0.134 4.190 4.320 0.006 0.000 0.216 459 A C 2.398 179.923 177.584 -0.099 0.000 1.186 459 A CA 1.494 53.510 52.037 -0.036 0.000 0.620 459 A CB -0.495 18.487 19.000 -0.030 0.000 0.822 459 A HN 0.429 nan 8.150 nan 0.000 0.443 460 R N -0.695 119.808 120.500 0.004 0.000 2.075 460 R HA -0.123 4.221 4.340 0.006 0.000 0.232 460 R C 2.363 178.707 176.300 0.073 0.000 1.126 460 R CA 1.617 57.748 56.100 0.051 0.000 0.963 460 R CB -0.330 30.032 30.300 0.104 0.000 0.858 460 R HN 0.672 nan 8.270 nan 0.000 0.435 461 Q N -0.046 119.808 119.800 0.089 0.000 2.297 461 Q HA 0.003 4.346 4.340 0.006 0.000 0.204 461 Q C 1.957 178.070 176.000 0.188 0.000 0.962 461 Q CA 0.931 56.818 55.803 0.140 0.000 0.879 461 Q CB 0.089 28.920 28.738 0.154 0.000 0.947 461 Q HN 0.336 nan 8.270 nan 0.000 0.462 462 A N 0.232 123.124 122.820 0.119 0.000 2.070 462 A HA -0.195 4.128 4.320 0.006 0.000 0.220 462 A C 1.196 178.884 177.584 0.174 0.000 1.159 462 A CA 1.158 53.300 52.037 0.176 0.000 0.656 462 A CB -0.631 18.387 19.000 0.031 0.000 0.800 462 A HN 0.434 nan 8.150 nan 0.000 0.453 463 H N -0.712 118.452 119.070 0.157 0.000 2.518 463 H HA 0.045 4.604 4.556 0.006 0.000 0.289 463 H C 1.550 176.934 175.328 0.093 0.000 1.051 463 H CA 0.857 56.969 56.048 0.108 0.000 1.280 463 H CB -0.133 29.665 29.762 0.059 0.000 1.380 463 H HN 0.412 nan 8.280 nan 0.000 0.566 464 L N -0.025 121.301 121.223 0.173 0.000 2.456 464 L HA -0.103 4.240 4.340 0.006 0.000 0.224 464 L C -0.221 176.504 176.870 -0.243 0.000 1.148 464 L CA 0.544 55.342 54.840 -0.071 0.000 0.825 464 L CB 0.020 41.946 42.059 -0.222 0.000 0.937 464 L HN 0.280 nan 8.230 nan 0.000 0.450 465 Y N -0.873 119.450 120.300 0.038 0.000 2.352 465 Y HA 0.409 4.962 4.550 0.005 0.000 0.339 465 Y C 0.534 176.479 175.900 0.076 0.000 0.992 465 Y CA -1.329 56.789 58.100 0.031 0.000 1.100 465 Y CB 0.922 39.399 38.460 0.028 0.000 1.192 465 Y HN -0.139 nan 8.280 nan 0.000 0.458 466 R N 1.583 122.194 120.500 0.184 0.000 2.537 466 R HA 0.279 4.622 4.340 0.006 0.000 0.281 466 R C 1.148 177.559 176.300 0.184 0.000 0.988 466 R CA 1.315 57.509 56.100 0.156 0.000 1.077 466 R CB -0.440 29.933 30.300 0.121 0.000 0.932 466 R HN 0.979 nan 8.270 nan 0.000 0.409 467 G N 3.846 112.749 108.800 0.171 0.000 2.205 467 G HA2 -0.291 3.672 3.960 0.006 0.000 0.261 467 G HA3 -0.291 3.672 3.960 0.006 0.000 0.261 467 G C 0.231 175.244 174.900 0.189 0.000 0.980 467 G CA 0.264 45.458 45.100 0.157 0.000 0.632 467 G HN 0.579 nan 8.290 nan 0.000 0.533 468 I N 0.864 121.565 120.570 0.219 0.000 2.379 468 I HA 0.383 4.557 4.170 0.006 0.000 0.290 468 I C 0.005 176.270 176.117 0.247 0.000 1.063 468 I CA -0.466 60.961 61.300 0.212 0.000 1.351 468 I CB 0.613 38.724 38.000 0.183 0.000 1.410 468 I HN 0.094 nan 8.210 nan 0.000 0.505 469 F N 10.138 130.151 119.950 0.105 0.000 2.309 469 F HA 0.420 4.950 4.527 0.006 0.000 0.366 469 F C -2.041 173.808 175.800 0.083 0.000 1.104 469 F CA -2.470 55.608 58.000 0.130 0.000 1.179 469 F CB 0.664 39.778 39.000 0.190 0.000 1.437 469 F HN 0.272 nan 8.300 nan 0.000 0.528 470 P HA 0.134 nan 4.420 nan 0.000 0.275 470 P C -1.125 176.100 177.300 -0.124 0.000 1.227 470 P CA -0.016 63.003 63.100 -0.135 0.000 0.781 470 P CB 2.094 33.636 31.700 -0.263 0.000 0.906 471 V N 4.028 123.941 119.914 -0.003 0.000 2.525 471 V HA 0.155 4.279 4.120 0.006 0.000 0.299 471 V C 0.216 176.324 176.094 0.023 0.000 1.034 471 V CA -0.841 61.483 62.300 0.039 0.000 0.863 471 V CB 2.264 34.159 31.823 0.121 0.000 0.999 471 V HN 0.260 nan 8.190 nan 0.000 0.423 472 V N 3.918 123.844 119.914 0.019 0.000 2.461 472 V HA 0.216 4.340 4.120 0.006 0.000 0.275 472 V C 0.369 176.439 176.094 -0.040 0.000 1.047 472 V CA -0.285 61.980 62.300 -0.058 0.000 0.955 472 V CB 1.315 33.021 31.823 -0.195 0.000 0.988 472 V HN 1.020 nan 8.190 nan 0.000 0.471 473 C N 6.388 125.674 119.300 -0.024 0.000 2.273 473 C HA 0.432 4.895 4.460 0.006 0.000 0.328 473 C C 1.247 176.242 174.990 0.007 0.000 1.275 473 C CA -0.602 58.414 59.018 -0.003 0.000 1.704 473 C CB -0.199 27.547 27.740 0.009 0.000 2.326 473 C HN 1.026 nan 8.230 nan 0.000 0.517 474 K N 2.418 122.818 120.400 -0.001 0.000 2.358 474 K HA 0.122 4.446 4.320 0.006 0.000 0.197 474 K C -0.098 176.516 176.600 0.023 0.000 1.025 474 K CA 0.010 56.313 56.287 0.026 0.000 1.104 474 K CB 0.207 32.708 32.500 0.000 0.000 0.855 474 K HN 0.753 nan 8.250 nan 0.000 0.531 475 D N 3.265 123.672 120.400 0.011 0.000 2.443 475 D HA 0.011 4.654 4.640 0.006 0.000 0.239 475 D C -2.254 174.054 176.300 0.013 0.000 1.136 475 D CA -0.961 53.043 54.000 0.006 0.000 0.879 475 D CB 0.389 41.187 40.800 -0.004 0.000 1.195 475 D HN 0.004 nan 8.370 nan 0.000 0.443 476 P HA -0.024 nan 4.420 nan 0.000 0.270 476 P C -0.433 176.876 177.300 0.014 0.000 1.223 476 P CA -0.394 62.715 63.100 0.015 0.000 0.785 476 P CB 0.467 32.173 31.700 0.010 0.000 0.923 477 V N 3.385 123.314 119.914 0.025 0.000 2.529 477 V HA -0.040 4.083 4.120 0.006 0.000 0.292 477 V C 1.064 177.174 176.094 0.026 0.000 1.028 477 V CA 0.207 62.528 62.300 0.034 0.000 1.074 477 V CB -0.321 31.538 31.823 0.061 0.000 0.958 477 V HN 0.482 nan 8.190 nan 0.000 0.481 478 Q N 3.669 123.478 119.800 0.014 0.000 2.340 478 Q HA 0.195 4.538 4.340 0.006 0.000 0.249 478 Q C 1.121 177.141 176.000 0.034 0.000 0.957 478 Q CA -0.125 55.683 55.803 0.008 0.000 0.882 478 Q CB 0.918 29.644 28.738 -0.020 0.000 1.235 478 Q HN 0.731 nan 8.270 nan 0.000 0.439 479 E N 1.002 121.219 120.200 0.027 0.000 2.077 479 E HA -0.091 4.263 4.350 0.006 0.000 0.193 479 E C 0.001 176.635 176.600 0.056 0.000 0.989 479 E CA 1.023 57.446 56.400 0.038 0.000 0.800 479 E CB 0.154 29.866 29.700 0.021 0.000 0.746 479 E HN 0.618 nan 8.360 nan 0.000 0.452 480 A N 1.085 123.929 122.820 0.041 0.000 2.309 480 A HA 0.014 4.338 4.320 0.006 0.000 0.290 480 A C 0.400 178.035 177.584 0.086 0.000 1.206 480 A CA -0.501 51.568 52.037 0.053 0.000 0.850 480 A CB -0.076 18.930 19.000 0.011 0.000 1.118 480 A HN 0.503 nan 8.150 nan 0.000 0.523 481 W N 3.109 124.364 121.300 -0.074 0.000 2.318 481 W HA -0.294 4.370 4.660 0.005 0.000 0.313 481 W C 1.690 178.148 176.519 -0.101 0.000 1.221 481 W CA 2.143 59.436 57.345 -0.087 0.000 1.266 481 W CB -0.109 29.284 29.460 -0.111 0.000 1.150 481 W HN 0.779 nan 8.180 nan 0.000 0.496 482 A N 0.598 123.346 122.820 -0.120 0.000 1.933 482 A HA -0.249 4.075 4.320 0.006 0.000 0.218 482 A C 1.824 179.264 177.584 -0.240 0.000 1.175 482 A CA 1.950 53.841 52.037 -0.244 0.000 0.628 482 A CB -0.940 17.974 19.000 -0.144 0.000 0.814 482 A HN 0.498 nan 8.150 nan 0.000 0.444 483 E N -0.865 119.241 120.200 -0.156 0.000 2.107 483 E HA -0.182 4.172 4.350 0.006 0.000 0.191 483 E C 1.640 178.139 176.600 -0.168 0.000 0.982 483 E CA 1.100 57.422 56.400 -0.130 0.000 0.809 483 E CB -0.143 29.513 29.700 -0.074 0.000 0.756 483 E HN 0.701 nan 8.360 nan 0.000 0.459 484 D N -0.008 120.265 120.400 -0.212 0.000 2.144 484 D HA -0.120 4.523 4.640 0.006 0.000 0.200 484 D C 1.889 177.971 176.300 -0.363 0.000 0.978 484 D CA 0.638 54.495 54.000 -0.239 0.000 0.833 484 D CB 0.242 40.922 40.800 -0.201 0.000 0.961 484 D HN -0.085 nan 8.370 nan 0.000 0.470 485 V N 0.759 120.325 119.914 -0.580 0.000 2.261 485 V HA -0.218 3.906 4.120 0.006 0.000 0.246 485 V C 1.846 177.765 176.094 -0.292 0.000 1.047 485 V CA 1.972 63.943 62.300 -0.547 0.000 1.015 485 V CB -0.528 30.868 31.823 -0.712 0.000 0.642 485 V HN 0.230 nan 8.190 nan 0.000 0.446 486 D N -0.124 120.133 120.400 -0.238 0.000 2.123 486 D HA -0.188 4.456 4.640 0.006 0.000 0.196 486 D C 2.042 178.278 176.300 -0.108 0.000 0.992 486 D CA 1.358 55.271 54.000 -0.145 0.000 0.833 486 D CB -0.356 40.373 40.800 -0.120 0.000 0.954 486 D HN 0.410 nan 8.370 nan 0.000 0.455 487 L N 0.509 121.664 121.223 -0.113 0.000 2.012 487 L HA -0.200 4.144 4.340 0.006 0.000 0.210 487 L C 2.354 179.188 176.870 -0.061 0.000 1.073 487 L CA 1.500 56.295 54.840 -0.076 0.000 0.748 487 L CB 0.034 42.049 42.059 -0.073 0.000 0.891 487 L HN -0.087 nan 8.230 nan 0.000 0.431 488 R N -1.127 119.321 120.500 -0.086 0.000 2.090 488 R HA -0.074 4.270 4.340 0.006 0.000 0.228 488 R C 2.117 178.398 176.300 -0.032 0.000 1.110 488 R CA 1.233 57.298 56.100 -0.057 0.000 0.973 488 R CB -0.305 29.947 30.300 -0.080 0.000 0.869 488 R HN 0.292 nan 8.270 nan 0.000 0.440 489 V N 1.685 121.567 119.914 -0.053 0.000 2.343 489 V HA -0.255 3.869 4.120 0.006 0.000 0.247 489 V C 1.956 178.053 176.094 0.005 0.000 1.051 489 V CA 2.010 64.295 62.300 -0.025 0.000 1.036 489 V CB -0.654 31.139 31.823 -0.050 0.000 0.654 489 V HN 0.370 nan 8.190 nan 0.000 0.451 490 N N 0.245 118.940 118.700 -0.009 0.000 2.166 490 N HA -0.186 4.558 4.740 0.006 0.000 0.186 490 N C 1.665 177.195 175.510 0.034 0.000 1.019 490 N CA 1.437 54.492 53.050 0.010 0.000 0.856 490 N CB -0.282 38.201 38.487 -0.008 0.000 0.993 490 N HN 0.357 nan 8.380 nan 0.000 0.426 491 L N 0.492 121.732 121.223 0.027 0.000 2.012 491 L HA 0.006 4.349 4.340 0.006 0.000 0.210 491 L C 2.124 179.041 176.870 0.078 0.000 1.073 491 L CA 2.115 56.981 54.840 0.042 0.000 0.748 491 L CB -1.234 40.843 42.059 0.031 0.000 0.891 491 L HN 0.237 nan 8.230 nan 0.000 0.431 492 A N -0.857 122.021 122.820 0.097 0.000 1.933 492 A HA -0.202 4.121 4.320 0.006 0.000 0.218 492 A C 2.212 179.939 177.584 0.239 0.000 1.175 492 A CA 2.046 54.180 52.037 0.161 0.000 0.628 492 A CB -0.528 18.566 19.000 0.157 0.000 0.814 492 A HN 0.503 nan 8.150 nan 0.000 0.444 493 M N -0.068 119.661 119.600 0.215 0.000 2.117 493 M HA -0.161 4.323 4.480 0.006 0.000 0.262 493 M C 1.734 178.182 176.300 0.247 0.000 1.065 493 M CA 1.640 57.130 55.300 0.316 0.000 1.114 493 M CB -1.828 30.865 32.600 0.155 0.000 1.361 493 M HN 0.568 nan 8.290 nan 0.000 0.408 494 N N -0.313 118.456 118.700 0.114 0.000 2.188 494 N HA -0.104 4.640 4.740 0.006 0.000 0.184 494 N C 1.783 177.278 175.510 -0.024 0.000 1.018 494 N CA 0.829 53.905 53.050 0.043 0.000 0.858 494 N CB 0.056 38.561 38.487 0.030 0.000 0.989 494 N HN 0.050 nan 8.380 nan 0.000 0.426 495 V N 0.770 120.678 119.914 -0.009 0.000 2.261 495 V HA -0.174 3.949 4.120 0.006 0.000 0.246 495 V C 2.432 178.327 176.094 -0.332 0.000 1.047 495 V CA 2.150 64.405 62.300 -0.076 0.000 1.015 495 V CB -1.168 30.695 31.823 0.066 0.000 0.642 495 V HN 0.435 nan 8.190 nan 0.000 0.446 496 G N -0.507 108.066 108.800 -0.379 0.000 2.440 496 G HA2 -0.266 3.698 3.960 0.006 0.000 0.218 496 G HA3 -0.266 3.698 3.960 0.006 0.000 0.218 496 G C 1.675 175.906 174.900 -1.115 0.000 1.154 496 G CA 0.983 45.437 45.100 -1.077 0.000 0.767 496 G HN 0.473 nan 8.290 nan 0.000 0.552 497 K N 0.454 120.506 120.400 -0.580 0.000 2.026 497 K HA 0.047 4.371 4.320 0.006 0.000 0.208 497 K C 2.956 179.384 176.600 -0.286 0.000 1.048 497 K CA 1.053 57.165 56.287 -0.292 0.000 0.929 497 K CB -0.236 32.234 32.500 -0.049 0.000 0.713 497 K HN 0.264 nan 8.250 nan 0.000 0.439 498 A N 1.275 123.933 122.820 -0.270 0.000 1.972 498 A HA -0.116 4.207 4.320 0.006 0.000 0.219 498 A C 1.856 179.256 177.584 -0.306 0.000 1.169 498 A CA 1.190 53.096 52.037 -0.218 0.000 0.635 498 A CB -0.168 18.741 19.000 -0.152 0.000 0.810 498 A HN 0.111 nan 8.150 nan 0.000 0.446 499 R N -1.241 118.929 120.500 -0.549 0.000 2.297 499 R HA 0.106 4.450 4.340 0.006 0.000 0.197 499 R C 1.246 177.172 176.300 -0.624 0.000 0.943 499 R CA 0.724 56.376 56.100 -0.746 0.000 1.038 499 R CB -0.543 28.862 30.300 -1.492 0.000 0.957 499 R HN 0.799 nan 8.270 nan 0.000 0.484 500 G N 1.149 109.672 108.800 -0.462 0.000 2.160 500 G HA2 -0.259 3.704 3.960 0.006 0.000 0.251 500 G HA3 -0.259 3.704 3.960 0.006 0.000 0.251 500 G C 0.469 175.333 174.900 -0.061 0.000 1.008 500 G CA 0.120 45.095 45.100 -0.209 0.000 0.724 500 G HN 0.240 nan 8.290 nan 0.000 0.514 501 F N -0.341 119.378 119.950 -0.385 0.000 2.367 501 F HA 0.362 4.894 4.527 0.008 0.000 0.298 501 F C 1.388 177.090 175.800 -0.163 0.000 1.094 501 F CA 0.553 58.345 58.000 -0.347 0.000 1.409 501 F CB -0.620 38.070 39.000 -0.516 0.000 1.064 501 F HN 0.439 nan 8.300 nan 0.000 0.528 502 F N -1.387 118.639 119.950 0.126 0.000 2.817 502 F HA 0.573 5.104 4.527 0.006 0.000 0.317 502 F C -0.911 174.905 175.800 0.026 0.000 1.168 502 F CA -2.394 55.645 58.000 0.065 0.000 0.911 502 F CB 0.999 40.035 39.000 0.060 0.000 1.337 502 F HN -0.208 nan 8.300 nan 0.000 0.464 503 K N 0.090 120.696 120.400 0.343 0.000 2.439 503 K HA 0.481 4.805 4.320 0.006 0.000 0.260 503 K C -1.252 175.451 176.600 0.172 0.000 1.032 503 K CA -1.320 55.095 56.287 0.212 0.000 0.882 503 K CB 2.198 34.761 32.500 0.105 0.000 1.420 503 K HN 0.781 nan 8.250 nan 0.000 0.455 504 K N 0.012 120.478 120.400 0.110 0.000 2.543 504 K HA -0.070 4.254 4.320 0.006 0.000 0.279 504 K C 0.604 177.226 176.600 0.037 0.000 1.001 504 K CA 2.017 58.339 56.287 0.059 0.000 1.088 504 K CB -0.421 32.103 32.500 0.041 0.000 0.863 504 K HN 0.883 nan 8.250 nan 0.000 0.488 505 G N 3.157 111.962 108.800 0.008 0.000 2.234 505 G HA2 -0.211 3.752 3.960 0.006 0.000 0.235 505 G HA3 -0.211 3.752 3.960 0.006 0.000 0.235 505 G C -0.128 174.765 174.900 -0.011 0.000 0.997 505 G CA 0.171 45.270 45.100 -0.002 0.000 0.623 505 G HN 0.717 nan 8.290 nan 0.000 0.514 506 D N 0.316 120.712 120.400 -0.007 0.000 2.363 506 D HA 0.476 5.120 4.640 0.006 0.000 0.240 506 D C 0.978 177.221 176.300 -0.095 0.000 1.236 506 D CA 0.821 54.806 54.000 -0.024 0.000 0.927 506 D CB 1.496 42.311 40.800 0.026 0.000 1.150 506 D HN 0.990 nan 8.370 nan 0.000 0.458 507 V N -1.776 118.080 119.914 -0.096 0.000 2.628 507 V HA 0.783 4.907 4.120 0.006 0.000 0.306 507 V C -0.039 175.956 176.094 -0.163 0.000 1.045 507 V CA -0.893 61.334 62.300 -0.121 0.000 0.905 507 V CB 1.455 33.236 31.823 -0.071 0.000 0.997 507 V HN 0.374 nan 8.190 nan 0.000 0.436 508 V N 1.625 121.424 119.914 -0.192 0.000 3.040 508 V HA 0.730 4.854 4.120 0.006 0.000 0.312 508 V C -0.684 175.344 176.094 -0.110 0.000 1.115 508 V CA -0.877 61.312 62.300 -0.185 0.000 0.998 508 V CB 2.125 33.757 31.823 -0.319 0.000 1.042 508 V HN 0.811 nan 8.190 nan 0.000 0.433 509 I N 2.521 123.047 120.570 -0.074 0.000 2.359 509 I HA 0.592 4.765 4.170 0.006 0.000 0.294 509 I C -0.173 175.926 176.117 -0.031 0.000 0.987 509 I CA -0.618 60.653 61.300 -0.048 0.000 1.225 509 I CB 1.429 39.402 38.000 -0.044 0.000 1.366 509 I HN 0.508 nan 8.210 nan 0.000 0.466 510 V N 7.446 127.348 119.914 -0.020 0.000 2.487 510 V HA 0.463 4.587 4.120 0.006 0.000 0.298 510 V C -0.119 175.984 176.094 0.015 0.000 1.028 510 V CA -0.591 61.706 62.300 -0.005 0.000 0.860 510 V CB 2.349 34.161 31.823 -0.018 0.000 0.991 510 V HN 0.449 nan 8.190 nan 0.000 0.427 511 L N 5.462 126.700 121.223 0.026 0.000 2.325 511 L HA 0.811 5.155 4.340 0.006 0.000 0.281 511 L C 0.166 177.065 176.870 0.047 0.000 1.004 511 L CA 0.003 54.869 54.840 0.043 0.000 0.823 511 L CB 2.094 44.184 42.059 0.053 0.000 1.236 511 L HN 0.910 nan 8.230 nan 0.000 0.415 512 T N -0.503 114.089 114.554 0.063 0.000 2.812 512 T HA 0.651 5.005 4.350 0.006 0.000 0.294 512 T C -0.160 174.617 174.700 0.129 0.000 1.159 512 T CA -0.736 61.412 62.100 0.080 0.000 1.008 512 T CB 1.701 70.595 68.868 0.044 0.000 1.289 512 T HN 0.521 nan 8.240 nan 0.000 0.514 513 G N -0.401 108.537 108.800 0.230 0.000 2.356 513 G HA2 0.384 4.347 3.960 0.006 0.000 0.298 513 G HA3 0.384 4.347 3.960 0.006 0.000 0.298 513 G C 0.405 175.567 174.900 0.436 0.000 1.145 513 G CA -0.864 44.388 45.100 0.253 0.000 0.850 513 G HN 0.812 nan 8.290 nan 0.000 0.487 514 W N 3.594 124.942 121.300 0.079 0.000 2.363 514 W HA -0.034 4.630 4.660 0.007 0.000 0.296 514 W C 0.618 177.225 176.519 0.146 0.000 1.212 514 W CA 0.884 58.295 57.345 0.110 0.000 1.260 514 W CB 0.363 29.816 29.460 -0.012 0.000 1.131 514 W HN 0.514 nan 8.180 nan 0.000 0.530 515 R N -1.313 119.162 120.500 -0.042 0.000 2.855 515 R HA 0.330 4.674 4.340 0.006 0.000 0.266 515 R C -2.229 173.296 176.300 -1.292 0.000 1.034 515 R CA -1.722 53.975 56.100 -0.672 0.000 0.944 515 R CB -0.107 29.975 30.300 -0.363 0.000 1.219 515 R HN -0.309 nan 8.270 nan 0.000 0.474 516 P HA -0.103 nan 4.420 nan 0.000 0.217 516 P C 1.150 178.034 177.300 -0.694 0.000 1.148 516 P CA 2.012 64.153 63.100 -1.598 0.000 0.828 516 P CB -0.097 31.076 31.700 -0.878 0.000 0.783 517 G N -1.427 107.097 108.800 -0.460 0.000 2.985 517 G HA2 -0.033 3.931 3.960 0.006 0.000 0.209 517 G HA3 -0.033 3.931 3.960 0.006 0.000 0.209 517 G C 0.342 175.150 174.900 -0.154 0.000 1.165 517 G CA -0.028 44.932 45.100 -0.232 0.000 0.776 517 G HN 0.191 nan 8.290 nan 0.000 0.541 518 S N 0.273 115.862 115.700 -0.184 0.000 2.546 518 S HA 0.316 4.790 4.470 0.006 0.000 0.290 518 S C 1.575 176.140 174.600 -0.058 0.000 1.290 518 S CA 0.142 58.265 58.200 -0.128 0.000 1.069 518 S CB 1.522 64.628 63.200 -0.156 0.000 0.846 518 S HN 0.301 nan 8.310 nan 0.000 0.495 519 G N 1.591 110.419 108.800 0.047 0.000 2.920 519 G HA2 0.363 4.326 3.960 0.006 0.000 0.208 519 G HA3 0.363 4.326 3.960 0.006 0.000 0.208 519 G C 0.015 175.097 174.900 0.303 0.000 1.159 519 G CA 0.029 45.234 45.100 0.175 0.000 0.784 519 G HN 0.661 nan 8.290 nan 0.000 0.535 520 F N -2.381 117.591 119.950 0.037 0.000 2.817 520 F HA 0.495 5.026 4.527 0.006 0.000 0.317 520 F C -0.258 175.584 175.800 0.070 0.000 1.168 520 F CA -1.259 56.765 58.000 0.041 0.000 0.911 520 F CB 0.538 39.555 39.000 0.028 0.000 1.337 520 F HN -0.073 nan 8.300 nan 0.000 0.464 521 T N 0.529 115.146 114.554 0.105 0.000 2.978 521 T HA 0.191 4.544 4.350 0.006 0.000 0.278 521 T C 0.200 174.846 174.700 -0.090 0.000 0.945 521 T CA -0.188 61.916 62.100 0.007 0.000 1.070 521 T CB -0.771 68.153 68.868 0.093 0.000 0.948 521 T HN 0.740 nan 8.240 nan 0.000 0.617 522 N N 1.489 119.949 118.700 -0.400 0.000 2.322 522 N HA 0.063 4.806 4.740 0.006 0.000 0.194 522 N C -0.455 175.001 175.510 -0.089 0.000 1.126 522 N CA -0.514 52.312 53.050 -0.372 0.000 0.845 522 N CB 0.320 38.381 38.487 -0.709 0.000 0.976 522 N HN 0.502 nan 8.380 nan 0.000 0.475 523 T N 1.095 115.653 114.554 0.006 0.000 2.840 523 T HA 0.364 4.717 4.350 0.006 0.000 0.287 523 T C -0.864 173.878 174.700 0.069 0.000 0.991 523 T CA -0.606 61.540 62.100 0.076 0.000 0.964 523 T CB 1.723 70.738 68.868 0.245 0.000 0.954 523 T HN 0.147 nan 8.240 nan 0.000 0.438 524 M N 3.938 123.566 119.600 0.046 0.000 2.311 524 M HA 0.612 5.096 4.480 0.006 0.000 0.325 524 M C -1.207 175.109 176.300 0.028 0.000 1.061 524 M CA -0.561 54.758 55.300 0.032 0.000 0.957 524 M CB 1.340 33.950 32.600 0.018 0.000 1.646 524 M HN 0.515 nan 8.290 nan 0.000 0.434 525 R N 2.478 122.989 120.500 0.020 0.000 2.744 525 R HA 0.639 4.983 4.340 0.006 0.000 0.279 525 R C -1.572 174.720 176.300 -0.012 0.000 0.977 525 R CA -0.909 55.198 56.100 0.011 0.000 0.906 525 R CB 2.804 33.116 30.300 0.020 0.000 1.197 525 R HN 0.578 nan 8.270 nan 0.000 0.463 526 V N 3.810 123.713 119.914 -0.018 0.000 2.383 526 V HA 0.466 4.590 4.120 0.006 0.000 0.275 526 V C -0.878 175.194 176.094 -0.038 0.000 1.036 526 V CA -0.258 62.022 62.300 -0.034 0.000 0.889 526 V CB 1.415 33.219 31.823 -0.031 0.000 0.985 526 V HN 0.448 nan 8.190 nan 0.000 0.459 527 V N 8.982 128.861 119.914 -0.059 0.000 2.709 527 V HA 0.541 4.665 4.120 0.006 0.000 0.308 527 V C -2.428 173.612 176.094 -0.091 0.000 1.062 527 V CA -1.717 60.543 62.300 -0.065 0.000 0.901 527 V CB 2.304 34.085 31.823 -0.070 0.000 1.003 527 V HN 0.792 nan 8.190 nan 0.000 0.425 528 P HA 0.220 nan 4.420 nan 0.000 0.279 528 P C -0.397 176.838 177.300 -0.107 0.000 1.239 528 P CA -0.120 62.930 63.100 -0.084 0.000 0.789 528 P CB 1.169 32.839 31.700 -0.050 0.000 0.933 529 V N 5.862 125.688 119.914 -0.146 0.000 2.529 529 V HA 0.077 4.201 4.120 0.006 0.000 0.292 529 V C -1.218 174.850 176.094 -0.044 0.000 1.028 529 V CA -0.760 61.454 62.300 -0.143 0.000 1.074 529 V CB -0.052 31.659 31.823 -0.186 0.000 0.958 529 V HN 0.647 nan 8.190 nan 0.000 0.481 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 530 P CB 0.000 31.698 31.700 -0.003 0.000 0.726