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 1f3x_1_B DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKGPDF LVTEVENGGF LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKAADVH EVRKILGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE IIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR KLFEELARAS PHSTDLMEAM 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 0.000 176.106 176.117 -0.019 0.000 1.063 12 I CA 0.000 61.285 61.300 -0.026 0.000 1.566 12 I CB 0.000 37.989 38.000 -0.019 0.000 1.214 13 Q N 1.255 121.050 119.800 -0.009 0.000 3.197 13 Q HA -0.128 4.242 4.340 0.050 0.000 0.025 13 Q C -0.590 175.423 176.000 0.021 0.000 1.701 13 Q CA 1.350 57.160 55.803 0.012 0.000 0.234 13 Q CB -0.790 27.961 28.738 0.021 0.000 1.166 13 Q HN 0.765 nan 8.270 nan 0.000 0.321 14 T N -0.860 113.714 114.554 0.034 0.000 2.909 14 T HA 0.499 4.879 4.350 0.050 0.000 0.299 14 T C -0.221 174.506 174.700 0.044 0.000 1.073 14 T CA 0.492 62.612 62.100 0.033 0.000 0.999 14 T CB 1.175 70.061 68.868 0.030 0.000 1.098 14 T HN 0.784 nan 8.240 nan 0.000 0.477 15 Q N 3.341 123.167 119.800 0.042 0.000 2.423 15 Q HA -0.273 4.097 4.340 0.050 0.000 0.332 15 Q C -0.215 175.832 176.000 0.077 0.000 1.355 15 Q CA 1.072 56.907 55.803 0.054 0.000 0.947 15 Q CB -1.908 26.860 28.738 0.051 0.000 1.189 15 Q HN 0.841 nan 8.270 nan 0.000 0.418 16 Q N -1.863 117.978 119.800 0.068 0.000 2.437 16 Q HA -0.221 4.149 4.340 0.050 0.000 0.274 16 Q C 0.758 176.824 176.000 0.110 0.000 1.165 16 Q CA 1.605 57.455 55.803 0.079 0.000 0.925 16 Q CB -2.104 26.679 28.738 0.074 0.000 1.327 16 Q HN 0.810 nan 8.270 nan 0.000 0.505 17 L N -1.211 120.074 121.223 0.104 0.000 2.201 17 L HA -0.173 4.197 4.340 0.050 0.000 0.212 17 L C 2.282 179.226 176.870 0.124 0.000 1.105 17 L CA 1.520 56.423 54.840 0.104 0.000 0.775 17 L CB -0.360 41.746 42.059 0.078 0.000 0.913 17 L HN 0.354 nan 8.230 nan 0.000 0.440 18 H N 0.393 119.482 119.070 0.032 0.000 2.326 18 H HA -0.068 4.522 4.556 0.056 0.000 0.301 18 H C 2.102 177.449 175.328 0.032 0.000 1.081 18 H CA 1.439 57.500 56.048 0.022 0.000 1.334 18 H CB 0.114 29.878 29.762 0.003 0.000 1.385 18 H HN 0.212 nan 8.280 nan 0.000 0.504 19 A N 0.435 123.217 122.820 -0.063 0.000 2.121 19 A HA 0.131 4.481 4.320 0.050 0.000 0.218 19 A C 2.427 180.073 177.584 0.103 0.000 1.154 19 A CA 1.107 53.077 52.037 -0.111 0.000 0.679 19 A CB -0.934 17.968 19.000 -0.163 0.000 0.795 19 A HN 0.596 nan 8.150 nan 0.000 0.458 20 A N -1.075 121.819 122.820 0.125 0.000 2.067 20 A HA 0.068 4.418 4.320 0.050 0.000 0.217 20 A C 1.884 179.546 177.584 0.130 0.000 1.156 20 A CA 1.206 53.345 52.037 0.171 0.000 0.683 20 A CB -0.313 18.775 19.000 0.146 0.000 0.808 20 A HN 0.400 nan 8.150 nan 0.000 0.455 21 M N -0.102 119.525 119.600 0.044 0.000 2.595 21 M HA 0.200 4.710 4.480 0.050 0.000 0.248 21 M C 1.207 177.522 176.300 0.026 0.000 1.119 21 M CA 0.078 55.390 55.300 0.021 0.000 1.079 21 M CB -1.474 31.127 32.600 0.002 0.000 1.472 21 M HN 0.388 nan 8.290 nan 0.000 0.501 22 A N 1.972 124.802 122.820 0.016 0.000 2.448 22 A HA 0.124 4.474 4.320 0.050 0.000 0.239 22 A C 0.807 178.491 177.584 0.167 0.000 1.080 22 A CA 0.329 52.367 52.037 0.001 0.000 0.779 22 A CB 0.106 19.023 19.000 -0.138 0.000 1.026 22 A HN 0.495 nan 8.150 nan 0.000 0.499 23 D N -0.828 119.648 120.400 0.126 0.000 2.389 23 D HA 0.094 4.764 4.640 0.050 0.000 0.206 23 D C 0.541 176.977 176.300 0.227 0.000 1.055 23 D CA 0.932 55.027 54.000 0.158 0.000 0.856 23 D CB -0.288 40.559 40.800 0.079 0.000 0.957 23 D HN 0.571 nan 8.370 nan 0.000 0.509 24 T N -3.799 110.875 114.554 0.200 0.000 2.906 24 T HA 0.440 4.820 4.350 0.050 0.000 0.295 24 T C 0.358 175.130 174.700 0.120 0.000 1.075 24 T CA -0.802 61.441 62.100 0.238 0.000 1.005 24 T CB 0.971 69.932 68.868 0.155 0.000 1.136 24 T HN -0.238 nan 8.240 nan 0.000 0.498 25 F N 0.295 120.302 119.950 0.096 0.000 2.186 25 F HA 0.082 4.613 4.527 0.007 0.000 0.299 25 F C 2.179 177.932 175.800 -0.078 0.000 1.090 25 F CA 0.711 58.692 58.000 -0.031 0.000 1.307 25 F CB -0.503 38.545 39.000 0.079 0.000 1.019 25 F HN 0.476 nan 8.300 nan 0.000 0.489 26 L N 0.413 121.727 121.223 0.153 0.000 2.042 26 L HA -0.199 4.171 4.340 0.050 0.000 0.210 26 L C 2.255 179.111 176.870 -0.024 0.000 1.076 26 L CA 1.945 56.817 54.840 0.053 0.000 0.749 26 L CB -0.857 41.233 42.059 0.051 0.000 0.893 26 L HN 0.108 nan 8.230 nan 0.000 0.432 27 E N -1.400 118.776 120.200 -0.040 0.000 2.072 27 E HA -0.266 4.114 4.350 0.050 0.000 0.190 27 E C 2.266 178.761 176.600 -0.175 0.000 0.982 27 E CA 1.389 57.738 56.400 -0.086 0.000 0.803 27 E CB -0.323 29.340 29.700 -0.062 0.000 0.755 27 E HN 0.684 nan 8.360 nan 0.000 0.453 28 H N -0.087 118.733 119.070 -0.418 0.000 2.319 28 H HA -0.119 4.470 4.556 0.054 0.000 0.297 28 H C 1.935 177.038 175.328 -0.375 0.000 1.097 28 H CA 2.491 58.164 56.048 -0.625 0.000 1.285 28 H CB -0.223 28.721 29.762 -1.362 0.000 1.368 28 H HN 0.201 nan 8.280 nan 0.000 0.495 29 M N -0.994 118.379 119.600 -0.378 0.000 2.067 29 M HA -0.188 4.322 4.480 0.050 0.000 0.260 29 M C 2.479 178.644 176.300 -0.225 0.000 1.069 29 M CA 1.663 56.778 55.300 -0.308 0.000 1.117 29 M CB -0.242 32.279 32.600 -0.132 0.000 1.334 29 M HN 0.389 nan 8.290 nan 0.000 0.407 30 C N 0.013 119.222 119.300 -0.152 0.000 2.413 30 C HA -0.117 4.373 4.460 0.050 0.000 0.292 30 C C 2.336 177.270 174.990 -0.095 0.000 1.435 30 C CA 0.834 59.794 59.018 -0.098 0.000 1.791 30 C CB -1.573 26.129 27.740 -0.063 0.000 1.784 30 C HN 0.445 nan 8.230 nan 0.000 0.548 31 R N -0.354 120.054 120.500 -0.153 0.000 2.362 31 R HA 0.246 4.617 4.340 0.050 0.000 0.227 31 R C 0.104 176.346 176.300 -0.097 0.000 0.905 31 R CA -0.169 55.870 56.100 -0.100 0.000 1.067 31 R CB 0.031 30.211 30.300 -0.200 0.000 1.078 31 R HN 0.462 nan 8.270 nan 0.000 0.516 32 L N 2.287 123.403 121.223 -0.180 0.000 2.534 32 L HA -0.000 4.370 4.340 0.050 0.000 0.271 32 L C -0.025 176.804 176.870 -0.068 0.000 1.178 32 L CA 0.352 55.100 54.840 -0.154 0.000 0.907 32 L CB 0.089 42.033 42.059 -0.192 0.000 1.164 32 L HN -0.071 nan 8.230 nan 0.000 0.482 33 D N 3.653 124.033 120.400 -0.033 0.000 2.391 33 D HA 0.215 4.886 4.640 0.050 0.000 0.245 33 D C 0.789 177.081 176.300 -0.014 0.000 1.069 33 D CA -0.563 53.429 54.000 -0.013 0.000 0.831 33 D CB 1.647 42.453 40.800 0.010 0.000 1.204 33 D HN 0.470 nan 8.370 nan 0.000 0.503 34 I N -0.239 120.321 120.570 -0.016 0.000 3.334 34 I HA 0.105 4.305 4.170 0.050 0.000 0.282 34 I C 0.044 176.156 176.117 -0.007 0.000 1.313 34 I CA 0.583 61.875 61.300 -0.013 0.000 1.396 34 I CB 0.219 38.210 38.000 -0.015 0.000 1.054 34 I HN 0.022 nan 8.210 nan 0.000 0.495 35 D N 1.158 121.555 120.400 -0.006 0.000 2.462 35 D HA 0.124 4.795 4.640 0.050 0.000 0.221 35 D C 0.242 176.543 176.300 0.002 0.000 1.173 35 D CA 0.241 54.240 54.000 -0.003 0.000 0.831 35 D CB 0.796 41.592 40.800 -0.007 0.000 1.001 35 D HN 0.193 nan 8.370 nan 0.000 0.499 36 S N 0.952 116.656 115.700 0.006 0.000 2.512 36 S HA 0.497 4.997 4.470 0.050 0.000 0.291 36 S C 0.105 174.714 174.600 0.016 0.000 1.151 36 S CA -0.571 57.638 58.200 0.015 0.000 1.120 36 S CB 0.132 63.346 63.200 0.024 0.000 1.029 36 S HN 0.214 nan 8.310 nan 0.000 0.485 37 A N 7.397 130.226 122.820 0.016 0.000 2.545 37 A HA 0.381 4.732 4.320 0.050 0.000 0.253 37 A C -1.808 175.788 177.584 0.021 0.000 1.074 37 A CA -0.765 51.282 52.037 0.017 0.000 0.760 37 A CB -0.247 18.764 19.000 0.018 0.000 1.005 37 A HN 0.663 nan 8.150 nan 0.000 0.506 38 P HA 0.267 nan 4.420 nan 0.000 0.274 38 P C 0.115 177.426 177.300 0.018 0.000 1.260 38 P CA -0.222 62.888 63.100 0.017 0.000 0.793 38 P CB 0.443 32.145 31.700 0.003 0.000 1.048 39 I N -3.244 117.333 120.570 0.012 0.000 2.834 39 I HA 0.229 4.429 4.170 0.050 0.000 0.305 39 I C 1.180 177.306 176.117 0.016 0.000 1.008 39 I CA -0.582 60.724 61.300 0.011 0.000 1.273 39 I CB 0.126 38.119 38.000 -0.012 0.000 1.432 39 I HN 0.149 nan 8.210 nan 0.000 0.557 40 T N 2.634 117.217 114.554 0.049 0.000 2.708 40 T HA -0.039 4.341 4.350 0.050 0.000 0.266 40 T C 1.128 175.895 174.700 0.112 0.000 1.037 40 T CA 1.414 63.583 62.100 0.116 0.000 1.146 40 T CB -0.350 68.636 68.868 0.198 0.000 0.865 40 T HN 0.783 nan 8.240 nan 0.000 0.435 41 A N 1.642 124.405 122.820 -0.095 0.000 2.483 41 A HA 0.394 4.745 4.320 0.050 0.000 0.238 41 A C 0.480 178.017 177.584 -0.078 0.000 1.070 41 A CA -0.063 51.790 52.037 -0.307 0.000 0.770 41 A CB 0.065 18.450 19.000 -1.025 0.000 1.008 41 A HN 0.407 nan 8.150 nan 0.000 0.497 42 R N 1.571 122.103 120.500 0.054 0.000 2.534 42 R HA 0.298 4.668 4.340 0.050 0.000 0.301 42 R C -0.483 175.879 176.300 0.104 0.000 0.961 42 R CA -0.694 55.445 56.100 0.065 0.000 0.871 42 R CB 0.758 31.136 30.300 0.130 0.000 1.170 42 R HN 0.877 nan 8.270 nan 0.000 0.446 43 N N 1.160 119.905 118.700 0.074 0.000 2.356 43 N HA 0.012 4.782 4.740 0.050 0.000 0.178 43 N C -0.535 175.044 175.510 0.114 0.000 1.075 43 N CA 0.439 53.551 53.050 0.103 0.000 0.889 43 N CB 0.833 39.372 38.487 0.088 0.000 0.999 43 N HN 0.451 nan 8.380 nan 0.000 0.464 44 T N 0.905 115.515 114.554 0.093 0.000 2.729 44 T HA 0.362 4.742 4.350 0.050 0.000 0.296 44 T C 0.761 175.516 174.700 0.092 0.000 0.928 44 T CA -0.595 61.553 62.100 0.081 0.000 1.045 44 T CB 1.309 70.209 68.868 0.053 0.000 0.902 44 T HN 0.082 nan 8.240 nan 0.000 0.500 45 G N 3.017 111.872 108.800 0.092 0.000 2.380 45 G HA2 0.428 4.418 3.960 0.050 0.000 0.242 45 G HA3 0.428 4.418 3.960 0.050 0.000 0.242 45 G C -0.258 174.668 174.900 0.044 0.000 1.298 45 G CA -0.481 44.669 45.100 0.084 0.000 0.878 45 G HN 0.776 nan 8.290 nan 0.000 0.542 46 I N 2.523 123.105 120.570 0.021 0.000 2.330 46 I HA 0.267 4.467 4.170 0.050 0.000 0.289 46 I C -0.101 176.015 176.117 -0.001 0.000 1.001 46 I CA -0.441 60.870 61.300 0.018 0.000 1.193 46 I CB 1.573 39.593 38.000 0.033 0.000 1.345 46 I HN 0.223 nan 8.210 nan 0.000 0.461 47 I N 5.941 126.525 120.570 0.024 0.000 2.312 47 I HA 0.285 4.485 4.170 0.050 0.000 0.290 47 I C -0.441 175.712 176.117 0.060 0.000 1.008 47 I CA -0.353 60.980 61.300 0.054 0.000 1.226 47 I CB 1.156 39.217 38.000 0.102 0.000 1.371 47 I HN 0.527 nan 8.210 nan 0.000 0.468 48 C N 4.273 123.604 119.300 0.053 0.000 2.319 48 C HA 0.380 4.870 4.460 0.050 0.000 0.335 48 C C 0.821 175.859 174.990 0.080 0.000 1.274 48 C CA -0.465 58.588 59.018 0.058 0.000 1.806 48 C CB 0.869 28.632 27.740 0.038 0.000 2.329 48 C HN 0.652 nan 8.230 nan 0.000 0.524 49 T N 5.278 119.887 114.554 0.092 0.000 2.749 49 T HA 0.296 4.676 4.350 0.050 0.000 0.295 49 T C 0.272 175.033 174.700 0.103 0.000 0.936 49 T CA -0.056 62.111 62.100 0.113 0.000 1.060 49 T CB 0.010 68.950 68.868 0.121 0.000 0.904 49 T HN 0.351 nan 8.240 nan 0.000 0.500 50 I N 3.504 124.141 120.570 0.111 0.000 2.395 50 I HA 0.584 4.784 4.170 0.050 0.000 0.289 50 I C 0.955 177.152 176.117 0.134 0.000 1.023 50 I CA -0.026 61.336 61.300 0.102 0.000 1.350 50 I CB 0.747 38.797 38.000 0.083 0.000 1.409 50 I HN 0.773 nan 8.210 nan 0.000 0.507 51 G N 6.891 115.759 108.800 0.113 0.000 2.782 51 G HA2 0.492 4.482 3.960 0.050 0.000 0.304 51 G HA3 0.492 4.482 3.960 0.050 0.000 0.304 51 G C -2.401 172.567 174.900 0.113 0.000 1.315 51 G CA -0.412 44.773 45.100 0.141 0.000 0.791 51 G HN 0.301 nan 8.290 nan 0.000 0.519 52 P HA -0.123 nan 4.420 nan 0.000 0.218 52 P C 1.633 178.960 177.300 0.044 0.000 1.146 52 P CA 1.954 65.106 63.100 0.086 0.000 0.813 52 P CB 0.106 31.843 31.700 0.063 0.000 0.778 53 A N 0.087 122.928 122.820 0.036 0.000 2.168 53 A HA 0.018 4.368 4.320 0.050 0.000 0.215 53 A C 1.664 179.260 177.584 0.019 0.000 1.152 53 A CA 1.447 53.493 52.037 0.016 0.000 0.716 53 A CB -0.648 18.358 19.000 0.010 0.000 0.794 53 A HN 0.394 nan 8.150 nan 0.000 0.465 54 S N -2.358 113.362 115.700 0.032 0.000 3.093 54 S HA 0.275 4.775 4.470 0.050 0.000 0.251 54 S C 0.740 175.355 174.600 0.025 0.000 0.905 54 S CA -0.464 57.753 58.200 0.030 0.000 1.124 54 S CB -0.173 63.049 63.200 0.037 0.000 1.124 54 S HN 0.482 nan 8.310 nan 0.000 0.574 55 R N 2.023 122.534 120.500 0.018 0.000 2.200 55 R HA 0.130 4.500 4.340 0.050 0.000 0.208 55 R C 0.742 177.036 176.300 -0.010 0.000 1.033 55 R CA 0.823 56.918 56.100 -0.008 0.000 1.000 55 R CB -0.034 30.242 30.300 -0.039 0.000 0.906 55 R HN 0.596 nan 8.270 nan 0.000 0.462 56 S N 0.348 116.049 115.700 0.001 0.000 2.533 56 S HA 0.025 4.525 4.470 0.050 0.000 0.282 56 S C 1.550 176.155 174.600 0.008 0.000 1.304 56 S CA -0.672 57.529 58.200 0.001 0.000 1.063 56 S CB 1.540 64.742 63.200 0.003 0.000 0.881 56 S HN -0.099 nan 8.310 nan 0.000 0.493 57 V N 2.609 122.525 119.914 0.004 0.000 2.370 57 V HA -0.196 3.954 4.120 0.050 0.000 0.252 57 V C 2.761 178.866 176.094 0.018 0.000 1.068 57 V CA 2.474 64.781 62.300 0.011 0.000 1.061 57 V CB -1.111 30.711 31.823 -0.001 0.000 0.656 57 V HN 0.919 nan 8.190 nan 0.000 0.455 58 E N -0.054 120.153 120.200 0.011 0.000 2.110 58 E HA -0.147 4.234 4.350 0.050 0.000 0.193 58 E C 2.315 178.934 176.600 0.031 0.000 0.988 58 E CA 1.711 58.120 56.400 0.016 0.000 0.804 58 E CB -0.429 29.276 29.700 0.008 0.000 0.745 58 E HN 0.639 nan 8.360 nan 0.000 0.458 59 T N 0.878 115.449 114.554 0.028 0.000 2.812 59 T HA -0.047 4.333 4.350 0.050 0.000 0.264 59 T C 1.586 176.314 174.700 0.046 0.000 1.042 59 T CA 0.410 62.530 62.100 0.033 0.000 1.140 59 T CB -0.057 68.825 68.868 0.023 0.000 0.870 59 T HN 0.050 nan 8.240 nan 0.000 0.445 60 L N 1.541 122.793 121.223 0.048 0.000 2.013 60 L HA -0.104 4.266 4.340 0.050 0.000 0.212 60 L C 2.362 179.292 176.870 0.101 0.000 1.073 60 L CA 1.897 56.774 54.840 0.062 0.000 0.753 60 L CB -1.110 40.984 42.059 0.059 0.000 0.890 60 L HN 0.318 nan 8.230 nan 0.000 0.432 61 K N -0.519 119.960 120.400 0.132 0.000 2.074 61 K HA -0.213 4.138 4.320 0.050 0.000 0.209 61 K C 1.908 178.633 176.600 0.207 0.000 1.048 61 K CA 1.358 57.793 56.287 0.247 0.000 0.926 61 K CB -0.032 32.567 32.500 0.165 0.000 0.713 61 K HN 0.288 nan 8.250 nan 0.000 0.444 62 E N 0.168 120.438 120.200 0.116 0.000 2.152 62 E HA -0.075 4.305 4.350 0.050 0.000 0.192 62 E C 1.991 178.615 176.600 0.041 0.000 0.983 62 E CA 0.769 57.215 56.400 0.076 0.000 0.818 62 E CB -0.033 29.701 29.700 0.057 0.000 0.758 62 E HN 0.292 nan 8.360 nan 0.000 0.467 63 M N 0.216 119.840 119.600 0.040 0.000 2.108 63 M HA -0.124 4.386 4.480 0.050 0.000 0.261 63 M C 2.398 178.687 176.300 -0.019 0.000 1.066 63 M CA 1.194 56.503 55.300 0.016 0.000 1.107 63 M CB -0.791 31.822 32.600 0.022 0.000 1.356 63 M HN 0.093 nan 8.290 nan 0.000 0.406 64 I N -0.074 120.482 120.570 -0.022 0.000 2.202 64 I HA -0.298 3.902 4.170 0.050 0.000 0.242 64 I C 2.308 178.326 176.117 -0.165 0.000 1.091 64 I CA 1.182 62.415 61.300 -0.111 0.000 1.368 64 I CB -0.462 37.450 38.000 -0.146 0.000 1.058 64 I HN 0.301 nan 8.210 nan 0.000 0.410 65 K N 0.454 120.775 120.400 -0.131 0.000 2.209 65 K HA -0.096 4.254 4.320 0.050 0.000 0.204 65 K C 2.127 178.658 176.600 -0.115 0.000 1.048 65 K CA 1.312 57.520 56.287 -0.132 0.000 0.940 65 K CB -0.191 32.287 32.500 -0.036 0.000 0.729 65 K HN 0.179 nan 8.250 nan 0.000 0.451 66 S N -0.760 114.888 115.700 -0.086 0.000 2.496 66 S HA 0.037 4.537 4.470 0.050 0.000 0.224 66 S C 1.292 175.805 174.600 -0.145 0.000 0.996 66 S CA 0.906 59.050 58.200 -0.095 0.000 0.927 66 S CB 0.545 63.726 63.200 -0.032 0.000 0.774 66 S HN 0.647 nan 8.310 nan 0.000 0.524 67 G N 0.595 109.318 108.800 -0.128 0.000 2.672 67 G HA2 -0.146 3.844 3.960 0.050 0.000 0.197 67 G HA3 -0.146 3.844 3.960 0.050 0.000 0.197 67 G C 0.139 174.998 174.900 -0.069 0.000 0.995 67 G CA -0.258 44.781 45.100 -0.103 0.000 0.754 67 G HN 0.363 nan 8.290 nan 0.000 0.505 68 M N 1.348 120.903 119.600 -0.075 0.000 2.251 68 M HA 0.247 4.757 4.480 0.050 0.000 0.343 68 M C 0.925 177.119 176.300 -0.177 0.000 1.245 68 M CA 1.178 56.426 55.300 -0.086 0.000 1.061 68 M CB 0.158 32.725 32.600 -0.056 0.000 1.723 68 M HN 0.296 nan 8.290 nan 0.000 0.449 69 N N 2.347 120.906 118.700 -0.235 0.000 2.445 69 N HA 0.190 4.960 4.740 0.050 0.000 0.204 69 N C -1.097 174.156 175.510 -0.428 0.000 1.098 69 N CA -0.222 52.502 53.050 -0.543 0.000 0.859 69 N CB 1.058 39.159 38.487 -0.644 0.000 1.249 69 N HN 0.412 nan 8.380 nan 0.000 0.462 70 V N 1.108 120.914 119.914 -0.180 0.000 2.577 70 V HA 0.658 4.808 4.120 0.050 0.000 0.303 70 V C -0.882 175.205 176.094 -0.012 0.000 1.042 70 V CA -1.143 61.119 62.300 -0.064 0.000 0.872 70 V CB 1.509 33.350 31.823 0.030 0.000 0.998 70 V HN 0.114 nan 8.190 nan 0.000 0.423 71 A N 4.883 127.696 122.820 -0.012 0.000 2.276 71 A HA 0.712 5.062 4.320 0.050 0.000 0.300 71 A C 0.074 177.666 177.584 0.013 0.000 1.235 71 A CA -0.443 51.602 52.037 0.013 0.000 0.867 71 A CB 0.312 19.321 19.000 0.014 0.000 1.137 71 A HN 0.861 nan 8.150 nan 0.000 0.527 72 R N 3.784 124.317 120.500 0.055 0.000 2.255 72 R HA 0.499 4.869 4.340 0.050 0.000 0.326 72 R C -1.001 175.357 176.300 0.097 0.000 0.986 72 R CA -0.572 55.563 56.100 0.058 0.000 0.847 72 R CB 0.555 30.959 30.300 0.174 0.000 1.111 72 R HN 0.650 nan 8.270 nan 0.000 0.452 73 M N 3.802 123.453 119.600 0.086 0.000 2.088 73 M HA 0.193 4.703 4.480 0.050 0.000 0.346 73 M C -0.424 175.995 176.300 0.198 0.000 1.111 73 M CA -0.966 54.439 55.300 0.175 0.000 1.017 73 M CB 0.748 33.486 32.600 0.229 0.000 1.568 73 M HN 0.430 nan 8.290 nan 0.000 0.445 74 N N 3.016 121.855 118.700 0.232 0.000 2.521 74 N HA 0.183 4.953 4.740 0.050 0.000 0.236 74 N C -0.422 175.237 175.510 0.250 0.000 1.067 74 N CA -0.254 52.945 53.050 0.248 0.000 0.939 74 N CB 0.101 38.736 38.487 0.247 0.000 1.201 74 N HN 0.353 nan 8.380 nan 0.000 0.511 75 F N 1.318 121.220 119.950 -0.081 0.000 2.772 75 F HA 0.060 4.617 4.527 0.050 0.000 0.302 75 F C 2.074 177.903 175.800 0.048 0.000 1.225 75 F CA 0.153 58.137 58.000 -0.027 0.000 1.429 75 F CB -0.370 38.579 39.000 -0.086 0.000 1.104 75 F HN 0.446 nan 8.300 nan 0.000 0.550 76 S N -1.613 114.154 115.700 0.112 0.000 2.453 76 S HA -0.042 4.458 4.470 0.050 0.000 0.231 76 S C 0.221 174.536 174.600 -0.474 0.000 1.005 76 S CA 0.752 58.853 58.200 -0.164 0.000 0.949 76 S CB -0.249 62.809 63.200 -0.237 0.000 0.774 76 S HN 0.437 nan 8.310 nan 0.000 0.510 77 H N -1.671 117.483 119.070 0.140 0.000 2.977 77 H HA 0.584 5.170 4.556 0.050 0.000 0.350 77 H C 0.161 175.490 175.328 0.001 0.000 1.238 77 H CA -0.250 55.825 56.048 0.046 0.000 1.124 77 H CB 1.265 31.026 29.762 -0.001 0.000 1.866 77 H HN 0.201 nan 8.280 nan 0.000 0.550 78 G N 0.494 109.255 108.800 -0.066 0.000 2.716 78 G HA2 -0.027 3.964 3.960 0.050 0.000 0.686 78 G HA3 -0.027 3.964 3.960 0.050 0.000 0.686 78 G C -0.027 174.752 174.900 -0.201 0.000 1.337 78 G CA -0.416 44.470 45.100 -0.357 0.000 0.829 78 G HN 0.891 nan 8.290 nan 0.000 0.599 79 T N -1.622 112.820 114.554 -0.187 0.000 2.881 79 T HA 0.589 4.969 4.350 0.050 0.000 0.278 79 T C 1.339 176.028 174.700 -0.019 0.000 0.982 79 T CA 0.433 62.485 62.100 -0.081 0.000 0.989 79 T CB 1.363 70.188 68.868 -0.070 0.000 1.058 79 T HN 0.685 nan 8.240 nan 0.000 0.529 80 H N 0.292 119.230 119.070 -0.219 0.000 2.319 80 H HA -0.125 4.461 4.556 0.050 0.000 0.299 80 H C 2.347 177.585 175.328 -0.151 0.000 1.092 80 H CA 1.805 57.595 56.048 -0.430 0.000 1.302 80 H CB 0.204 29.537 29.762 -0.714 0.000 1.373 80 H HN 0.913 nan 8.280 nan 0.000 0.497 81 E N 0.597 120.850 120.200 0.089 0.000 2.160 81 E HA -0.260 4.120 4.350 0.050 0.000 0.195 81 E C 1.935 178.585 176.600 0.083 0.000 0.991 81 E CA 1.264 57.731 56.400 0.112 0.000 0.810 81 E CB -0.526 29.223 29.700 0.082 0.000 0.742 81 E HN 0.549 nan 8.360 nan 0.000 0.466 82 Y N 1.651 121.893 120.300 -0.097 0.000 2.089 82 Y HA -0.246 4.334 4.550 0.050 0.000 0.282 82 Y C 2.340 178.139 175.900 -0.168 0.000 1.139 82 Y CA 2.262 60.253 58.100 -0.182 0.000 1.123 82 Y CB -0.335 37.920 38.460 -0.341 0.000 0.980 82 Y HN 0.112 nan 8.280 nan 0.000 0.493 83 H N -0.394 118.655 119.070 -0.036 0.000 2.421 83 H HA -0.069 4.517 4.556 0.050 0.000 0.298 83 H C 2.299 177.673 175.328 0.078 0.000 1.087 83 H CA 1.150 57.159 56.048 -0.066 0.000 1.330 83 H CB -0.715 28.945 29.762 -0.168 0.000 1.388 83 H HN 0.523 nan 8.280 nan 0.000 0.526 84 A N 0.895 123.895 122.820 0.299 0.000 1.902 84 A HA -0.170 4.180 4.320 0.050 0.000 0.217 84 A C 2.381 180.023 177.584 0.096 0.000 1.181 84 A CA 1.557 53.770 52.037 0.294 0.000 0.623 84 A CB -0.323 18.904 19.000 0.379 0.000 0.818 84 A HN 0.419 nan 8.150 nan 0.000 0.443 85 E N -1.032 119.168 120.200 -0.000 0.000 2.072 85 E HA -0.159 4.221 4.350 0.050 0.000 0.191 85 E C 2.178 178.725 176.600 -0.089 0.000 0.985 85 E CA 1.487 57.853 56.400 -0.055 0.000 0.801 85 E CB -0.134 29.506 29.700 -0.101 0.000 0.750 85 E HN 0.639 nan 8.360 nan 0.000 0.452 86 T N 0.212 114.666 114.554 -0.166 0.000 2.821 86 T HA -0.102 4.278 4.350 0.050 0.000 0.267 86 T C 1.954 176.643 174.700 -0.018 0.000 1.046 86 T CA 1.032 63.056 62.100 -0.127 0.000 1.139 86 T CB -0.222 68.534 68.868 -0.186 0.000 0.871 86 T HN 0.135 nan 8.240 nan 0.000 0.454 87 I N 0.749 121.338 120.570 0.032 0.000 2.286 87 I HA -0.115 4.085 4.170 0.050 0.000 0.248 87 I C 2.759 178.891 176.117 0.025 0.000 1.115 87 I CA 1.555 62.884 61.300 0.048 0.000 1.392 87 I CB -0.390 37.653 38.000 0.071 0.000 1.065 87 I HN 0.338 nan 8.210 nan 0.000 0.418 88 K N 1.108 121.519 120.400 0.018 0.000 2.057 88 K HA -0.198 4.152 4.320 0.050 0.000 0.207 88 K C 1.860 178.466 176.600 0.011 0.000 1.049 88 K CA 1.574 57.869 56.287 0.013 0.000 0.931 88 K CB -0.020 32.486 32.500 0.010 0.000 0.714 88 K HN 0.282 nan 8.250 nan 0.000 0.440 89 N N 0.981 119.681 118.700 0.000 0.000 2.142 89 N HA -0.150 4.620 4.740 0.050 0.000 0.186 89 N C 1.979 177.503 175.510 0.023 0.000 1.023 89 N CA 1.664 54.716 53.050 0.003 0.000 0.852 89 N CB -0.501 37.978 38.487 -0.013 0.000 0.998 89 N HN 0.291 nan 8.380 nan 0.000 0.424 90 V N -0.036 119.895 119.914 0.028 0.000 2.343 90 V HA -0.140 4.010 4.120 0.050 0.000 0.247 90 V C 2.228 178.360 176.094 0.064 0.000 1.051 90 V CA 1.354 63.681 62.300 0.045 0.000 1.036 90 V CB -0.566 31.279 31.823 0.037 0.000 0.654 90 V HN 0.124 nan 8.190 nan 0.000 0.451 91 R N 0.319 120.852 120.500 0.056 0.000 2.096 91 R HA -0.097 4.273 4.340 0.050 0.000 0.235 91 R C 2.504 178.852 176.300 0.079 0.000 1.127 91 R CA 2.030 58.173 56.100 0.072 0.000 0.968 91 R CB -0.943 29.388 30.300 0.051 0.000 0.861 91 R HN 0.629 nan 8.270 nan 0.000 0.440 92 T N 1.036 115.621 114.554 0.051 0.000 2.674 92 T HA -0.135 4.245 4.350 0.050 0.000 0.265 92 T C 1.980 176.706 174.700 0.043 0.000 1.039 92 T CA 1.505 63.625 62.100 0.034 0.000 1.150 92 T CB -0.291 68.584 68.868 0.012 0.000 0.864 92 T HN 0.377 nan 8.240 nan 0.000 0.427 93 A N 1.205 124.060 122.820 0.059 0.000 1.940 93 A HA -0.156 4.195 4.320 0.050 0.000 0.219 93 A C 2.540 180.258 177.584 0.224 0.000 1.176 93 A CA 2.198 54.289 52.037 0.091 0.000 0.631 93 A CB -1.271 17.797 19.000 0.115 0.000 0.814 93 A HN 0.491 nan 8.150 nan 0.000 0.446 94 T N -0.048 114.648 114.554 0.238 0.000 2.737 94 T HA -0.092 4.288 4.350 0.050 0.000 0.265 94 T C 1.731 176.713 174.700 0.470 0.000 1.038 94 T CA 1.478 63.786 62.100 0.347 0.000 1.144 94 T CB -0.231 68.772 68.868 0.225 0.000 0.866 94 T HN 0.468 nan 8.240 nan 0.000 0.434 95 E N 1.707 122.079 120.200 0.286 0.000 2.338 95 E HA -0.041 4.339 4.350 0.050 0.000 0.197 95 E C 2.427 179.087 176.600 0.100 0.000 1.007 95 E CA 0.745 57.272 56.400 0.212 0.000 0.849 95 E CB -0.577 29.183 29.700 0.098 0.000 0.774 95 E HN 0.650 nan 8.360 nan 0.000 0.506 96 S N -0.358 115.329 115.700 -0.022 0.000 2.528 96 S HA -0.096 4.404 4.470 0.050 0.000 0.244 96 S C 1.421 175.794 174.600 -0.378 0.000 0.982 96 S CA 0.624 58.668 58.200 -0.260 0.000 0.953 96 S CB -0.397 62.536 63.200 -0.446 0.000 0.754 96 S HN 0.149 nan 8.310 nan 0.000 0.529 97 F N 0.715 120.747 119.950 0.135 0.000 2.712 97 F HA 0.559 5.116 4.527 0.051 0.000 0.297 97 F C 2.457 178.377 175.800 0.199 0.000 1.114 97 F CA -0.309 57.796 58.000 0.175 0.000 1.305 97 F CB -0.656 38.474 39.000 0.216 0.000 1.086 97 F HN 0.214 nan 8.300 nan 0.000 0.599 98 A N 0.695 123.676 122.820 0.268 0.000 2.054 98 A HA -0.296 4.054 4.320 0.050 0.000 0.223 98 A C 2.369 179.897 177.584 -0.093 0.000 1.169 98 A CA 2.337 54.257 52.037 -0.194 0.000 0.655 98 A CB -1.227 17.599 19.000 -0.290 0.000 0.812 98 A HN 0.435 nan 8.150 nan 0.000 0.462 99 S N -0.412 115.290 115.700 0.003 0.000 2.380 99 S HA -0.180 4.320 4.470 0.050 0.000 0.229 99 S C 0.882 175.496 174.600 0.023 0.000 1.043 99 S CA 1.210 59.412 58.200 0.003 0.000 1.038 99 S CB -0.437 62.769 63.200 0.011 0.000 0.872 99 S HN 0.616 nan 8.310 nan 0.000 0.456 100 D N 2.352 122.799 120.400 0.078 0.000 2.412 100 D HA 0.347 5.018 4.640 0.050 0.000 0.224 100 D C -2.116 174.246 176.300 0.103 0.000 1.093 100 D CA -2.418 51.633 54.000 0.084 0.000 0.850 100 D CB 1.676 42.541 40.800 0.108 0.000 1.046 100 D HN -0.004 nan 8.370 nan 0.000 0.507 101 P HA -0.030 nan 4.420 nan 0.000 0.220 101 P C 1.443 178.805 177.300 0.103 0.000 1.148 101 P CA 0.777 63.916 63.100 0.066 0.000 0.803 101 P CB 0.450 32.166 31.700 0.026 0.000 0.782 102 I N -1.727 118.889 120.570 0.076 0.000 2.400 102 I HA -0.096 4.104 4.170 0.050 0.000 0.248 102 I C 1.621 177.776 176.117 0.063 0.000 1.109 102 I CA 0.916 62.247 61.300 0.051 0.000 1.425 102 I CB -0.328 37.676 38.000 0.008 0.000 1.094 102 I HN -0.116 nan 8.210 nan 0.000 0.425 103 L N 0.092 121.365 121.223 0.085 0.000 2.592 103 L HA 0.070 4.440 4.340 0.050 0.000 0.227 103 L C 0.333 177.268 176.870 0.109 0.000 1.127 103 L CA 0.295 55.178 54.840 0.072 0.000 0.884 103 L CB -1.083 41.014 42.059 0.064 0.000 1.065 103 L HN 0.204 nan 8.230 nan 0.000 0.457 104 Y N 1.847 122.172 120.300 0.042 0.000 2.436 104 Y HA 0.245 4.825 4.550 0.051 0.000 0.336 104 Y C 0.168 176.067 175.900 -0.002 0.000 1.049 104 Y CA -0.497 57.628 58.100 0.041 0.000 1.294 104 Y CB 0.326 38.825 38.460 0.066 0.000 1.179 104 Y HN -0.011 nan 8.280 nan 0.000 0.520 105 R N 8.090 128.196 120.500 -0.656 0.000 2.239 105 R HA 0.367 4.737 4.340 0.050 0.000 0.332 105 R C -2.576 173.254 176.300 -0.783 0.000 0.988 105 R CA -2.156 53.583 56.100 -0.601 0.000 0.859 105 R CB 0.435 30.494 30.300 -0.401 0.000 1.148 105 R HN 0.513 nan 8.270 nan 0.000 0.482 106 P HA 0.052 nan 4.420 nan 0.000 0.269 106 P C -0.646 176.629 177.300 -0.042 0.000 1.215 106 P CA -0.131 62.774 63.100 -0.324 0.000 0.780 106 P CB 1.016 32.657 31.700 -0.100 0.000 0.898 107 V N 1.304 121.213 119.914 -0.009 0.000 2.656 107 V HA 0.587 4.737 4.120 0.050 0.000 0.307 107 V C 0.252 176.368 176.094 0.036 0.000 1.051 107 V CA -0.928 61.353 62.300 -0.032 0.000 0.893 107 V CB 1.756 33.544 31.823 -0.058 0.000 0.999 107 V HN 0.774 nan 8.190 nan 0.000 0.426 108 A N 3.763 126.598 122.820 0.026 0.000 2.303 108 A HA 0.826 5.177 4.320 0.050 0.000 0.317 108 A C -0.592 176.990 177.584 -0.004 0.000 1.149 108 A CA -0.501 51.565 52.037 0.048 0.000 0.822 108 A CB 1.275 20.330 19.000 0.092 0.000 1.131 108 A HN 0.710 nan 8.150 nan 0.000 0.493 109 V N 1.678 121.581 119.914 -0.019 0.000 2.370 109 V HA 0.598 4.749 4.120 0.050 0.000 0.283 109 V C 0.467 176.482 176.094 -0.133 0.000 1.023 109 V CA -0.112 62.157 62.300 -0.051 0.000 0.857 109 V CB 0.978 32.782 31.823 -0.033 0.000 0.985 109 V HN 1.129 nan 8.190 nan 0.000 0.443 110 A N 5.446 128.137 122.820 -0.215 0.000 2.330 110 A HA 0.851 5.201 4.320 0.050 0.000 0.327 110 A C -1.011 176.309 177.584 -0.440 0.000 1.155 110 A CA -0.573 51.169 52.037 -0.492 0.000 0.803 110 A CB 1.345 19.777 19.000 -0.947 0.000 1.208 110 A HN 0.789 nan 8.150 nan 0.000 0.477 111 L N 2.253 123.183 121.223 -0.487 0.000 2.276 111 L HA 0.466 4.836 4.340 0.050 0.000 0.286 111 L C -0.820 175.839 176.870 -0.352 0.000 1.024 111 L CA -0.378 54.231 54.840 -0.385 0.000 0.826 111 L CB 1.086 42.873 42.059 -0.453 0.000 1.211 111 L HN 0.645 nan 8.230 nan 0.000 0.422 112 D N 3.709 124.021 120.400 -0.147 0.000 2.359 112 D HA 0.161 4.831 4.640 0.050 0.000 0.230 112 D C -0.443 175.881 176.300 0.040 0.000 1.118 112 D CA -0.083 53.940 54.000 0.037 0.000 0.844 112 D CB 1.068 41.984 40.800 0.194 0.000 1.059 112 D HN 0.605 nan 8.370 nan 0.000 0.493 113 T N 3.095 117.656 114.554 0.012 0.000 2.937 113 T HA -0.049 4.331 4.350 0.050 0.000 0.316 113 T C 1.457 176.214 174.700 0.094 0.000 1.079 113 T CA 0.138 62.253 62.100 0.025 0.000 1.131 113 T CB 1.295 70.176 68.868 0.021 0.000 1.000 113 T HN 0.434 nan 8.240 nan 0.000 0.549 114 K N 1.932 122.404 120.400 0.119 0.000 2.007 114 K HA 0.106 4.456 4.320 0.050 0.000 0.206 114 K C 1.182 177.877 176.600 0.159 0.000 1.047 114 K CA 1.182 57.544 56.287 0.126 0.000 0.937 114 K CB -0.604 31.964 32.500 0.112 0.000 0.718 114 K HN 0.934 nan 8.250 nan 0.000 0.438 115 G N 0.146 109.031 108.800 0.141 0.000 2.693 115 G HA2 -0.201 3.789 3.960 0.050 0.000 0.226 115 G HA3 -0.201 3.789 3.960 0.050 0.000 0.226 115 G C -2.511 172.451 174.900 0.102 0.000 1.354 115 G CA -0.279 44.928 45.100 0.178 0.000 0.873 115 G HN 0.276 nan 8.290 nan 0.000 0.562 116 P HA 0.307 nan 4.420 nan 0.000 0.230 116 P C 0.007 177.106 177.300 -0.335 0.000 1.791 116 P CA 0.225 63.218 63.100 -0.178 0.000 1.020 116 P CB 0.124 31.678 31.700 -0.244 0.000 1.977 117 E N 1.129 121.238 120.200 -0.151 0.000 2.349 117 E HA 0.387 4.767 4.350 0.050 0.000 0.262 117 E C -0.007 176.501 176.600 -0.152 0.000 1.088 117 E CA -0.634 55.688 56.400 -0.131 0.000 0.899 117 E CB 1.090 30.812 29.700 0.036 0.000 1.044 117 E HN 0.254 nan 8.360 nan 0.000 0.420 118 I N 2.638 123.137 120.570 -0.118 0.000 2.439 118 I HA 0.294 4.494 4.170 0.050 0.000 0.283 118 I C -0.300 175.823 176.117 0.010 0.000 1.023 118 I CA -0.640 60.614 61.300 -0.077 0.000 1.100 118 I CB 0.933 38.874 38.000 -0.098 0.000 1.238 118 I HN 0.192 nan 8.210 nan 0.000 0.445 119 R N 3.028 123.555 120.500 0.045 0.000 2.778 119 R HA 0.596 4.966 4.340 0.050 0.000 0.277 119 R C 0.072 176.453 176.300 0.135 0.000 0.977 119 R CA -0.594 55.573 56.100 0.110 0.000 0.950 119 R CB 2.239 32.633 30.300 0.157 0.000 1.165 119 R HN 0.690 nan 8.270 nan 0.000 0.474 120 T N -1.957 112.704 114.554 0.179 0.000 2.814 120 T HA 0.585 4.965 4.350 0.050 0.000 0.284 120 T C 0.754 175.699 174.700 0.408 0.000 0.998 120 T CA -0.378 61.865 62.100 0.238 0.000 0.935 120 T CB 1.257 70.233 68.868 0.179 0.000 1.167 120 T HN 0.512 nan 8.240 nan 0.000 0.545 121 G N -0.656 108.423 108.800 0.465 0.000 2.671 121 G HA2 0.603 4.593 3.960 0.050 0.000 0.275 121 G HA3 0.603 4.593 3.960 0.050 0.000 0.275 121 G C -0.749 174.249 174.900 0.163 0.000 1.368 121 G CA -1.305 43.999 45.100 0.340 0.000 1.044 121 G HN 0.843 nan 8.290 nan 0.000 0.543 122 L N 0.773 122.035 121.223 0.066 0.000 2.276 122 L HA 0.341 4.711 4.340 0.050 0.000 0.286 122 L C 0.360 177.262 176.870 0.053 0.000 1.061 122 L CA -0.459 54.408 54.840 0.046 0.000 0.807 122 L CB 1.129 43.189 42.059 0.001 0.000 1.177 122 L HN 0.307 nan 8.230 nan 0.000 0.429 123 I N 2.832 123.440 120.570 0.064 0.000 2.993 123 I HA -0.153 4.047 4.170 0.050 0.000 0.301 123 I C 0.848 176.992 176.117 0.046 0.000 1.229 123 I CA 0.030 61.369 61.300 0.065 0.000 1.435 123 I CB 0.306 38.345 38.000 0.066 0.000 1.328 123 I HN 0.645 nan 8.210 nan 0.000 0.584 124 K N 4.364 124.794 120.400 0.051 0.000 2.344 124 K HA 0.045 4.395 4.320 0.050 0.000 0.260 124 K C 1.099 177.714 176.600 0.025 0.000 0.988 124 K CA 0.373 56.682 56.287 0.036 0.000 0.909 124 K CB 0.096 32.623 32.500 0.046 0.000 0.968 124 K HN 0.672 nan 8.250 nan 0.000 0.505 125 G N 0.614 109.422 108.800 0.013 0.000 2.653 125 G HA2 -0.163 3.827 3.960 0.050 0.000 0.212 125 G HA3 -0.163 3.827 3.960 0.050 0.000 0.212 125 G C 0.258 175.165 174.900 0.012 0.000 1.138 125 G CA 0.337 45.442 45.100 0.008 0.000 0.782 125 G HN 0.929 nan 8.290 nan 0.000 0.535 126 S N -0.520 115.192 115.700 0.020 0.000 2.555 126 S HA 0.204 4.704 4.470 0.050 0.000 0.264 126 S C 1.337 175.948 174.600 0.019 0.000 1.378 126 S CA 0.072 58.285 58.200 0.021 0.000 0.996 126 S CB 0.502 63.720 63.200 0.030 0.000 0.869 126 S HN 0.633 nan 8.310 nan 0.000 0.546 127 G N 1.158 109.969 108.800 0.018 0.000 2.707 127 G HA2 0.286 4.277 3.960 0.050 0.000 0.271 127 G HA3 0.286 4.277 3.960 0.050 0.000 0.271 127 G C 1.170 176.080 174.900 0.016 0.000 0.681 127 G CA 0.463 45.571 45.100 0.014 0.000 2.072 127 G HN 2.111 nan 8.290 nan 0.000 0.569 128 T N -3.127 111.437 114.554 0.016 0.000 10.123 128 T HA -0.404 3.976 4.350 0.050 0.000 0.405 128 T C 1.455 176.173 174.700 0.030 0.000 1.550 128 T CA 1.501 63.611 62.100 0.018 0.000 2.509 128 T CB -1.818 67.054 68.868 0.007 0.000 2.883 128 T HN 1.964 nan 8.240 nan 0.000 1.132 129 A N 2.767 125.609 122.820 0.036 0.000 2.504 129 A HA 0.329 4.679 4.320 0.050 0.000 0.280 129 A C 0.630 178.269 177.584 0.092 0.000 1.125 129 A CA 0.914 52.986 52.037 0.058 0.000 0.873 129 A CB -0.699 18.338 19.000 0.062 0.000 0.997 129 A HN 0.813 nan 8.150 nan 0.000 0.542 130 E N 0.831 121.095 120.200 0.107 0.000 2.461 130 E HA 0.172 4.552 4.350 0.050 0.000 0.263 130 E C -0.071 176.673 176.600 0.239 0.000 1.143 130 E CA 0.051 56.548 56.400 0.162 0.000 0.994 130 E CB 0.440 30.248 29.700 0.181 0.000 0.973 130 E HN 0.444 nan 8.360 nan 0.000 0.457 131 V N 1.607 121.637 119.914 0.193 0.000 2.509 131 V HA 0.114 4.264 4.120 0.050 0.000 0.284 131 V C 0.110 176.189 176.094 -0.025 0.000 1.047 131 V CA -0.252 62.111 62.300 0.105 0.000 0.952 131 V CB 1.313 33.167 31.823 0.051 0.000 0.988 131 V HN 0.612 nan 8.190 nan 0.000 0.469 132 E N 4.279 124.345 120.200 -0.224 0.000 2.175 132 E HA 0.488 4.868 4.350 0.050 0.000 0.278 132 E C -1.226 175.167 176.600 -0.346 0.000 0.969 132 E CA -0.615 55.395 56.400 -0.652 0.000 0.796 132 E CB 1.139 30.351 29.700 -0.813 0.000 1.104 132 E HN 0.638 nan 8.360 nan 0.000 0.395 133 L N 5.687 126.714 121.223 -0.327 0.000 2.371 133 L HA 0.351 4.721 4.340 0.050 0.000 0.262 133 L C 0.158 176.927 176.870 -0.168 0.000 1.054 133 L CA -0.667 54.065 54.840 -0.181 0.000 0.924 133 L CB 0.600 42.587 42.059 -0.120 0.000 1.295 133 L HN 0.450 nan 8.230 nan 0.000 0.441 134 K N 3.328 123.638 120.400 -0.150 0.000 2.382 134 K HA 0.110 4.460 4.320 0.050 0.000 0.275 134 K C 0.242 176.797 176.600 -0.075 0.000 1.009 134 K CA -0.443 55.779 56.287 -0.109 0.000 0.970 134 K CB 1.028 33.475 32.500 -0.087 0.000 0.934 134 K HN 0.333 nan 8.250 nan 0.000 0.479 135 K N 2.325 122.690 120.400 -0.058 0.000 2.527 135 K HA -0.086 4.264 4.320 0.050 0.000 0.278 135 K C 0.469 177.045 176.600 -0.039 0.000 0.981 135 K CA 1.426 57.687 56.287 -0.045 0.000 1.009 135 K CB -0.063 32.418 32.500 -0.031 0.000 0.895 135 K HN 0.889 nan 8.250 nan 0.000 0.493 136 G N 1.440 110.217 108.800 -0.039 0.000 2.143 136 G HA2 -0.254 3.736 3.960 0.050 0.000 0.248 136 G HA3 -0.254 3.736 3.960 0.050 0.000 0.248 136 G C -0.021 174.859 174.900 -0.033 0.000 0.991 136 G CA 0.207 45.287 45.100 -0.033 0.000 0.689 136 G HN 0.895 nan 8.290 nan 0.000 0.522 137 A N -1.259 121.537 122.820 -0.040 0.000 2.269 137 A HA 0.909 5.259 4.320 0.050 0.000 0.327 137 A C 1.304 178.867 177.584 -0.036 0.000 1.112 137 A CA 0.964 52.978 52.037 -0.038 0.000 0.865 137 A CB 0.730 19.703 19.000 -0.046 0.000 1.227 137 A HN 0.482 nan 8.150 nan 0.000 0.498 138 T N 0.105 114.642 114.554 -0.029 0.000 2.764 138 T HA 0.207 4.587 4.350 0.050 0.000 0.243 138 T C 0.555 175.239 174.700 -0.027 0.000 1.065 138 T CA 0.960 63.045 62.100 -0.024 0.000 1.219 138 T CB -0.425 68.434 68.868 -0.015 0.000 0.918 138 T HN 1.116 nan 8.240 nan 0.000 0.409 139 L N 1.363 122.571 121.223 -0.025 0.000 0.762 139 L HA -0.138 4.232 4.340 0.050 0.000 0.363 139 L C -0.506 176.354 176.870 -0.017 0.000 1.004 139 L CA 0.508 55.332 54.840 -0.026 0.000 1.223 139 L CB -0.046 41.994 42.059 -0.031 0.000 0.295 139 L HN 0.507 nan 8.230 nan 0.000 0.182 140 K N 6.830 127.219 120.400 -0.018 0.000 2.376 140 K HA 0.675 5.025 4.320 0.050 0.000 0.257 140 K C -0.127 176.467 176.600 -0.009 0.000 0.939 140 K CA -0.894 55.396 56.287 0.005 0.000 0.809 140 K CB 1.206 33.709 32.500 0.004 0.000 1.121 140 K HN 0.557 nan 8.250 nan 0.000 0.425 141 I N 1.940 122.515 120.570 0.009 0.000 2.315 141 I HA 0.374 4.574 4.170 0.050 0.000 0.291 141 I C -0.057 176.068 176.117 0.013 0.000 1.006 141 I CA -0.384 60.911 61.300 -0.008 0.000 1.265 141 I CB 1.328 39.306 38.000 -0.036 0.000 1.387 141 I HN 0.608 nan 8.210 nan 0.000 0.475 142 T N 2.941 117.497 114.554 0.003 0.000 2.938 142 T HA 0.611 4.991 4.350 0.050 0.000 0.285 142 T C 0.261 174.961 174.700 -0.001 0.000 1.028 142 T CA -0.738 61.389 62.100 0.045 0.000 1.005 142 T CB 2.123 71.010 68.868 0.032 0.000 1.157 142 T HN 0.548 nan 8.240 nan 0.000 0.550 143 L N -0.346 120.916 121.223 0.066 0.000 3.039 143 L HA 0.376 4.746 4.340 0.050 0.000 0.269 143 L C 0.607 177.676 176.870 0.331 0.000 1.169 143 L CA -0.061 54.764 54.840 -0.025 0.000 0.986 143 L CB -0.014 42.010 42.059 -0.059 0.000 1.377 143 L HN 0.724 nan 8.230 nan 0.000 0.575 144 D N 1.249 121.888 120.400 0.397 0.000 2.383 144 D HA -0.110 4.560 4.640 0.050 0.000 0.275 144 D C 0.745 177.335 176.300 0.483 0.000 1.344 144 D CA 0.317 54.561 54.000 0.406 0.000 0.984 144 D CB 0.339 41.410 40.800 0.451 0.000 1.104 144 D HN 0.070 nan 8.370 nan 0.000 0.524 145 N N 2.985 121.906 118.700 0.368 0.000 2.786 145 N HA -0.130 4.640 4.740 0.050 0.000 0.201 145 N C 0.894 176.335 175.510 -0.115 0.000 1.405 145 N CA 0.500 53.645 53.050 0.157 0.000 0.959 145 N CB 0.177 38.748 38.487 0.141 0.000 1.092 145 N HN 0.486 nan 8.380 nan 0.000 0.449 146 A N -0.886 121.875 122.820 -0.098 0.000 2.063 146 A HA 0.081 4.431 4.320 0.050 0.000 0.211 146 A C 1.168 178.499 177.584 -0.422 0.000 1.177 146 A CA 0.121 51.977 52.037 -0.302 0.000 0.759 146 A CB -0.098 18.659 19.000 -0.404 0.000 0.857 146 A HN 0.223 nan 8.150 nan 0.000 0.468 147 Y N -0.825 119.436 120.300 -0.065 0.000 2.490 147 Y HA 0.153 4.733 4.550 0.050 0.000 0.281 147 Y C 2.052 177.844 175.900 -0.180 0.000 1.174 147 Y CA 0.419 58.497 58.100 -0.037 0.000 1.295 147 Y CB -0.427 38.098 38.460 0.108 0.000 1.062 147 Y HN 0.333 nan 8.280 nan 0.000 0.522 148 M N 0.334 119.658 119.600 -0.459 0.000 2.153 148 M HA -0.327 4.183 4.480 0.050 0.000 0.253 148 M C 0.517 176.567 176.300 -0.417 0.000 1.081 148 M CA 2.111 56.852 55.300 -0.931 0.000 1.076 148 M CB 0.045 32.037 32.600 -1.013 0.000 1.350 148 M HN 0.258 nan 8.290 nan 0.000 0.401 149 E N -1.101 118.959 120.200 -0.233 0.000 2.789 149 E HA 0.139 4.519 4.350 0.050 0.000 0.208 149 E C -0.154 176.418 176.600 -0.045 0.000 0.988 149 E CA 0.030 56.358 56.400 -0.121 0.000 1.092 149 E CB 0.681 30.306 29.700 -0.125 0.000 1.066 149 E HN 0.354 nan 8.360 nan 0.000 0.465 150 K N 0.731 121.135 120.400 0.006 0.000 3.301 150 K HA 0.315 4.665 4.320 0.050 0.000 0.170 150 K C -0.522 176.164 176.600 0.143 0.000 1.061 150 K CA -0.417 55.908 56.287 0.064 0.000 0.807 150 K CB -0.685 31.843 32.500 0.046 0.000 0.889 150 K HN 0.093 nan 8.250 nan 0.000 0.564 151 C N 2.151 121.524 119.300 0.122 0.000 2.466 151 C HA 0.863 5.353 4.460 0.050 0.000 0.379 151 C C 0.250 175.294 174.990 0.091 0.000 1.251 151 C CA -0.065 59.032 59.018 0.131 0.000 2.263 151 C CB 0.634 28.458 27.740 0.140 0.000 2.511 151 C HN 0.955 nan 8.230 nan 0.000 0.573 152 D N 0.330 120.773 120.400 0.071 0.000 3.103 152 D HA 0.159 4.830 4.640 0.050 0.000 0.337 152 D C 0.193 176.507 176.300 0.024 0.000 1.356 152 D CA -0.551 53.478 54.000 0.049 0.000 0.951 152 D CB -0.068 40.761 40.800 0.048 0.000 1.438 152 D HN 0.314 nan 8.370 nan 0.000 0.562 153 E N -0.428 119.777 120.200 0.009 0.000 2.204 153 E HA -0.043 4.337 4.350 0.050 0.000 0.195 153 E C 1.132 177.722 176.600 -0.017 0.000 0.990 153 E CA 1.413 57.805 56.400 -0.014 0.000 0.821 153 E CB -0.250 29.436 29.700 -0.023 0.000 0.750 153 E HN 0.358 nan 8.360 nan 0.000 0.477 154 N N -0.144 118.549 118.700 -0.011 0.000 2.432 154 N HA 0.049 4.819 4.740 0.050 0.000 0.174 154 N C 0.114 175.596 175.510 -0.046 0.000 1.037 154 N CA 0.504 53.539 53.050 -0.025 0.000 0.892 154 N CB 1.007 39.481 38.487 -0.022 0.000 1.049 154 N HN 0.087 nan 8.380 nan 0.000 0.442 155 I N 1.207 121.749 120.570 -0.047 0.000 2.647 155 I HA 0.402 4.602 4.170 0.050 0.000 0.295 155 I C -0.942 175.171 176.117 -0.007 0.000 1.078 155 I CA -0.987 60.255 61.300 -0.096 0.000 1.048 155 I CB 2.169 40.004 38.000 -0.275 0.000 1.239 155 I HN -0.146 nan 8.210 nan 0.000 0.421 156 L N 5.710 126.942 121.223 0.016 0.000 2.482 156 L HA 0.495 4.866 4.340 0.050 0.000 0.269 156 L C -1.395 175.569 176.870 0.157 0.000 0.967 156 L CA -0.160 54.740 54.840 0.100 0.000 0.851 156 L CB 1.818 43.915 42.059 0.064 0.000 1.242 156 L HN 0.689 nan 8.230 nan 0.000 0.404 157 W N 6.100 127.430 121.300 0.050 0.000 2.251 157 W HA 0.618 5.308 4.660 0.050 0.000 0.329 157 W C -1.425 175.135 176.519 0.068 0.000 1.234 157 W CA -0.211 57.179 57.345 0.074 0.000 1.228 157 W CB 0.998 30.532 29.460 0.123 0.000 1.135 157 W HN 0.487 nan 8.180 nan 0.000 0.576 158 L N 4.872 125.601 121.223 -0.824 0.000 2.354 158 L HA 0.249 4.619 4.340 0.050 0.000 0.264 158 L C 0.448 176.384 176.870 -1.556 0.000 1.008 158 L CA -0.561 53.813 54.840 -0.777 0.000 0.819 158 L CB 1.988 43.819 42.059 -0.380 0.000 1.339 158 L HN 0.629 nan 8.230 nan 0.000 0.420 159 D N -0.017 119.853 120.400 -0.885 0.000 2.340 159 D HA -0.050 4.620 4.640 0.050 0.000 0.217 159 D C -0.117 176.088 176.300 -0.157 0.000 1.081 159 D CA 0.151 53.812 54.000 -0.564 0.000 0.842 159 D CB -0.225 40.574 40.800 -0.001 0.000 0.934 159 D HN 0.218 nan 8.370 nan 0.000 0.511 160 Y N 2.273 122.385 120.300 -0.314 0.000 2.595 160 Y HA 0.334 4.914 4.550 0.050 0.000 0.336 160 Y C 0.966 176.761 175.900 -0.174 0.000 0.996 160 Y CA -1.655 56.334 58.100 -0.185 0.000 1.260 160 Y CB 0.452 38.819 38.460 -0.155 0.000 1.108 160 Y HN -0.256 nan 8.280 nan 0.000 0.509 161 K N 2.452 122.800 120.400 -0.087 0.000 2.063 161 K HA -0.186 4.164 4.320 0.050 0.000 0.208 161 K C 0.633 177.031 176.600 -0.336 0.000 1.048 161 K CA 1.893 58.072 56.287 -0.180 0.000 0.928 161 K CB 0.147 32.623 32.500 -0.040 0.000 0.713 161 K HN 0.481 nan 8.250 nan 0.000 0.442 162 N N 0.965 119.365 118.700 -0.500 0.000 2.362 162 N HA 0.071 4.841 4.740 0.050 0.000 0.204 162 N C 1.078 176.126 175.510 -0.771 0.000 1.166 162 N CA 0.022 52.788 53.050 -0.472 0.000 0.831 162 N CB 0.017 38.393 38.487 -0.186 0.000 1.008 162 N HN 0.164 nan 8.380 nan 0.000 0.472 163 I N -0.480 119.390 120.570 -1.166 0.000 2.399 163 I HA -0.357 3.843 4.170 0.050 0.000 0.254 163 I C 1.000 176.897 176.117 -0.366 0.000 1.146 163 I CA 1.114 61.912 61.300 -0.837 0.000 1.412 163 I CB 0.071 37.743 38.000 -0.547 0.000 1.076 163 I HN 0.214 nan 8.210 nan 0.000 0.432 164 C N 0.914 120.032 119.300 -0.304 0.000 2.450 164 C HA -0.070 4.420 4.460 0.050 0.000 0.279 164 C C 2.415 177.309 174.990 -0.159 0.000 1.335 164 C CA 0.570 59.465 59.018 -0.204 0.000 1.749 164 C CB -1.012 26.622 27.740 -0.177 0.000 1.963 164 C HN 0.464 nan 8.230 nan 0.000 0.501 165 K N 1.118 121.424 120.400 -0.157 0.000 2.418 165 K HA 0.010 4.361 4.320 0.050 0.000 0.195 165 K C 1.650 178.208 176.600 -0.070 0.000 1.035 165 K CA 1.083 57.310 56.287 -0.100 0.000 1.003 165 K CB -0.042 32.409 32.500 -0.082 0.000 0.793 165 K HN 0.600 nan 8.250 nan 0.000 0.494 166 V N -1.797 118.074 119.914 -0.071 0.000 3.431 166 V HA 0.076 4.226 4.120 0.050 0.000 0.253 166 V C 0.919 177.001 176.094 -0.020 0.000 1.184 166 V CA -0.409 61.882 62.300 -0.016 0.000 1.104 166 V CB -0.087 31.772 31.823 0.059 0.000 0.799 166 V HN -0.000 nan 8.190 nan 0.000 0.462 167 V N -0.857 119.028 119.914 -0.047 0.000 3.096 167 V HA 0.776 4.926 4.120 0.050 0.000 0.319 167 V C -0.847 175.209 176.094 -0.063 0.000 1.082 167 V CA -0.480 61.793 62.300 -0.045 0.000 1.022 167 V CB 1.714 33.505 31.823 -0.052 0.000 1.103 167 V HN 0.411 nan 8.190 nan 0.000 0.455 168 D N -0.342 120.023 120.400 -0.059 0.000 2.664 168 D HA 0.324 4.994 4.640 0.050 0.000 0.292 168 D C -0.899 175.361 176.300 -0.067 0.000 1.214 168 D CA -0.425 53.535 54.000 -0.065 0.000 0.932 168 D CB 2.152 42.922 40.800 -0.050 0.000 1.420 168 D HN 0.751 nan 8.370 nan 0.000 0.471 169 V N 0.267 120.140 119.914 -0.069 0.000 2.694 169 V HA 0.344 4.494 4.120 0.050 0.000 0.306 169 V C 1.346 177.411 176.094 -0.049 0.000 1.054 169 V CA 2.074 64.335 62.300 -0.064 0.000 1.161 169 V CB 0.129 31.916 31.823 -0.060 0.000 0.916 169 V HN 0.954 nan 8.190 nan 0.000 0.490 170 G N 4.033 112.804 108.800 -0.047 0.000 2.336 170 G HA2 -0.259 3.731 3.960 0.050 0.000 0.233 170 G HA3 -0.259 3.731 3.960 0.050 0.000 0.233 170 G C 0.571 175.451 174.900 -0.033 0.000 1.053 170 G CA 0.242 45.320 45.100 -0.037 0.000 0.625 170 G HN 1.300 nan 8.290 nan 0.000 0.511 171 S N 2.601 118.280 115.700 -0.034 0.000 2.593 171 S HA 0.345 4.846 4.470 0.050 0.000 0.300 171 S C 0.548 175.131 174.600 -0.028 0.000 1.267 171 S CA 0.303 58.490 58.200 -0.022 0.000 1.065 171 S CB 0.764 63.949 63.200 -0.025 0.000 0.807 171 S HN 0.437 nan 8.310 nan 0.000 0.499 172 K N 2.199 122.597 120.400 -0.004 0.000 2.143 172 K HA 0.498 4.848 4.320 0.050 0.000 0.272 172 K C -0.631 175.950 176.600 -0.032 0.000 1.001 172 K CA -0.489 55.768 56.287 -0.050 0.000 0.915 172 K CB 1.371 33.871 32.500 0.000 0.000 1.047 172 K HN 0.330 nan 8.250 nan 0.000 0.458 173 V N 3.617 123.439 119.914 -0.154 0.000 2.531 173 V HA 0.311 4.461 4.120 0.050 0.000 0.301 173 V C -1.217 174.751 176.094 -0.209 0.000 1.034 173 V CA -0.944 61.315 62.300 -0.068 0.000 0.865 173 V CB 1.156 32.950 31.823 -0.050 0.000 0.995 173 V HN 0.550 nan 8.190 nan 0.000 0.424 174 Y N 3.030 123.338 120.300 0.014 0.000 2.360 174 Y HA 0.742 5.323 4.550 0.051 0.000 0.337 174 Y C 0.076 175.994 175.900 0.029 0.000 1.039 174 Y CA -0.749 57.365 58.100 0.023 0.000 1.109 174 Y CB 2.097 40.575 38.460 0.029 0.000 1.201 174 Y HN 0.373 nan 8.280 nan 0.000 0.458 175 V N 1.762 121.762 119.914 0.143 0.000 2.789 175 V HA 0.288 4.439 4.120 0.050 0.000 0.311 175 V C -0.711 175.456 176.094 0.122 0.000 1.073 175 V CA -1.380 60.986 62.300 0.112 0.000 0.921 175 V CB 1.781 33.642 31.823 0.064 0.000 1.009 175 V HN 0.841 nan 8.190 nan 0.000 0.426 176 D N 3.591 124.061 120.400 0.118 0.000 2.927 176 D HA -0.172 4.498 4.640 0.050 0.000 0.236 176 D C 0.114 176.484 176.300 0.118 0.000 1.163 176 D CA 1.156 55.224 54.000 0.114 0.000 0.801 176 D CB -0.933 39.930 40.800 0.105 0.000 0.975 176 D HN 0.886 nan 8.370 nan 0.000 0.413 177 D N 0.003 120.476 120.400 0.121 0.000 2.775 177 D HA -0.138 4.532 4.640 0.050 0.000 0.235 177 D C 1.261 177.631 176.300 0.116 0.000 1.120 177 D CA 1.813 55.877 54.000 0.106 0.000 0.708 177 D CB -1.572 39.282 40.800 0.090 0.000 1.084 177 D HN 1.270 nan 8.370 nan 0.000 0.434 178 G N -0.613 108.289 108.800 0.169 0.000 2.186 178 G HA2 -0.399 3.591 3.960 0.050 0.000 0.266 178 G HA3 -0.399 3.591 3.960 0.050 0.000 0.266 178 G C 1.181 176.242 174.900 0.268 0.000 0.982 178 G CA 0.758 46.019 45.100 0.268 0.000 0.670 178 G HN 0.523 nan 8.290 nan 0.000 0.533 179 L N -0.683 120.644 121.223 0.172 0.000 2.156 179 L HA 0.273 4.643 4.340 0.050 0.000 0.208 179 L C 1.565 178.503 176.870 0.113 0.000 1.095 179 L CA 0.819 55.738 54.840 0.132 0.000 0.770 179 L CB -0.040 42.083 42.059 0.107 0.000 0.914 179 L HN 0.309 nan 8.230 nan 0.000 0.439 180 I N -1.014 119.617 120.570 0.101 0.000 2.412 180 I HA 0.155 4.355 4.170 0.050 0.000 0.296 180 I C -0.018 176.068 176.117 -0.051 0.000 0.987 180 I CA -0.101 61.216 61.300 0.029 0.000 1.180 180 I CB 1.917 39.929 38.000 0.021 0.000 1.340 180 I HN -0.138 nan 8.210 nan 0.000 0.455 181 S N 7.110 122.725 115.700 -0.141 0.000 2.502 181 S HA 0.770 5.271 4.470 0.050 0.000 0.304 181 S C -0.919 173.531 174.600 -0.250 0.000 1.097 181 S CA -0.547 57.441 58.200 -0.352 0.000 1.045 181 S CB 0.770 63.772 63.200 -0.329 0.000 1.019 181 S HN 0.443 nan 8.310 nan 0.000 0.481 182 L N 3.658 124.710 121.223 -0.285 0.000 2.401 182 L HA 0.599 4.969 4.340 0.050 0.000 0.266 182 L C -0.528 176.243 176.870 -0.165 0.000 0.991 182 L CA -0.703 54.033 54.840 -0.173 0.000 0.818 182 L CB 2.275 44.261 42.059 -0.122 0.000 1.321 182 L HN 0.614 nan 8.230 nan 0.000 0.413 183 Q N 1.724 121.456 119.800 -0.114 0.000 2.325 183 Q HA 0.422 4.792 4.340 0.050 0.000 0.270 183 Q C -1.316 174.640 176.000 -0.074 0.000 1.020 183 Q CA -0.695 55.053 55.803 -0.091 0.000 0.785 183 Q CB 2.366 31.059 28.738 -0.075 0.000 1.259 183 Q HN 0.480 nan 8.270 nan 0.000 0.452 184 V N 5.734 125.604 119.914 -0.073 0.000 2.458 184 V HA -0.051 4.100 4.120 0.050 0.000 0.287 184 V C 0.824 176.875 176.094 -0.071 0.000 1.009 184 V CA 0.625 62.878 62.300 -0.079 0.000 1.091 184 V CB 0.499 32.270 31.823 -0.087 0.000 0.960 184 V HN 0.824 nan 8.190 nan 0.000 0.476 185 K N 3.370 123.729 120.400 -0.069 0.000 2.287 185 K HA 0.157 4.507 4.320 0.050 0.000 0.199 185 K C 0.645 177.206 176.600 -0.066 0.000 1.061 185 K CA 0.377 56.630 56.287 -0.056 0.000 0.976 185 K CB 0.657 33.133 32.500 -0.041 0.000 0.898 185 K HN 0.681 nan 8.250 nan 0.000 0.492 186 Q N 1.337 121.083 119.800 -0.089 0.000 2.292 186 Q HA 0.160 4.530 4.340 0.050 0.000 0.270 186 Q C -1.157 174.706 176.000 -0.228 0.000 1.024 186 Q CA -0.283 55.450 55.803 -0.118 0.000 0.768 186 Q CB 1.904 30.601 28.738 -0.069 0.000 1.250 186 Q HN -0.114 nan 8.270 nan 0.000 0.447 187 K N 3.438 123.699 120.400 -0.232 0.000 2.518 187 K HA 0.277 4.627 4.320 0.050 0.000 0.244 187 K C -0.052 176.299 176.600 -0.414 0.000 1.232 187 K CA -0.146 55.957 56.287 -0.306 0.000 1.189 187 K CB -0.139 32.245 32.500 -0.193 0.000 1.737 187 K HN 0.757 nan 8.250 nan 0.000 0.333 188 G N 2.475 110.798 108.800 -0.795 0.000 2.664 188 G HA2 0.102 4.092 3.960 0.050 0.000 0.242 188 G HA3 0.102 4.092 3.960 0.050 0.000 0.242 188 G C -2.543 172.022 174.900 -0.558 0.000 1.225 188 G CA -1.054 43.535 45.100 -0.852 0.000 0.849 188 G HN 0.346 nan 8.290 nan 0.000 0.581 189 P HA 0.207 nan 4.420 nan 0.000 0.276 189 P C -0.114 177.308 177.300 0.203 0.000 1.264 189 P CA 0.431 63.559 63.100 0.046 0.000 0.769 189 P CB 0.924 32.676 31.700 0.087 0.000 0.840 190 D N 2.208 122.657 120.400 0.082 0.000 3.099 190 D HA -0.180 4.490 4.640 0.050 0.000 0.213 190 D C -0.677 175.770 176.300 0.246 0.000 1.121 190 D CA 1.411 55.488 54.000 0.128 0.000 0.951 190 D CB -1.586 39.300 40.800 0.143 0.000 1.102 190 D HN 0.320 nan 8.370 nan 0.000 0.423 191 F N -2.250 117.661 119.950 -0.066 0.000 2.858 191 F HA 0.682 5.239 4.527 0.050 0.000 0.319 191 F C -2.234 173.522 175.800 -0.075 0.000 1.166 191 F CA -1.407 56.550 58.000 -0.072 0.000 0.899 191 F CB 0.772 39.738 39.000 -0.057 0.000 1.332 191 F HN -0.146 nan 8.300 nan 0.000 0.461 192 L N 2.637 123.753 121.223 -0.179 0.000 2.505 192 L HA 0.566 4.936 4.340 0.050 0.000 0.266 192 L C -0.940 175.882 176.870 -0.079 0.000 0.954 192 L CA -0.831 53.837 54.840 -0.288 0.000 0.852 192 L CB 1.476 43.423 42.059 -0.185 0.000 1.282 192 L HN 0.695 nan 8.230 nan 0.000 0.403 193 V N 2.473 122.327 119.914 -0.100 0.000 2.407 193 V HA 0.718 4.868 4.120 0.050 0.000 0.278 193 V C 0.644 176.713 176.094 -0.041 0.000 1.037 193 V CA -0.188 62.118 62.300 0.010 0.000 0.900 193 V CB 1.724 33.579 31.823 0.054 0.000 0.983 193 V HN 1.001 nan 8.190 nan 0.000 0.459 194 T N 1.497 116.032 114.554 -0.031 0.000 2.858 194 T HA 0.723 5.103 4.350 0.050 0.000 0.285 194 T C -0.852 173.822 174.700 -0.042 0.000 1.052 194 T CA -0.797 61.274 62.100 -0.048 0.000 1.009 194 T CB 2.435 71.268 68.868 -0.059 0.000 1.241 194 T HN 0.651 nan 8.240 nan 0.000 0.542 195 E N 0.163 120.332 120.200 -0.052 0.000 2.256 195 E HA 0.506 4.886 4.350 0.050 0.000 0.268 195 E C -1.336 175.226 176.600 -0.063 0.000 0.877 195 E CA -1.063 55.307 56.400 -0.050 0.000 0.757 195 E CB 2.529 32.203 29.700 -0.043 0.000 1.183 195 E HN 0.614 nan 8.360 nan 0.000 0.418 196 V N 5.184 125.062 119.914 -0.061 0.000 2.470 196 V HA 0.102 4.252 4.120 0.050 0.000 0.276 196 V C 0.498 176.551 176.094 -0.068 0.000 1.040 196 V CA 0.668 62.926 62.300 -0.071 0.000 1.008 196 V CB 1.004 32.786 31.823 -0.068 0.000 0.990 196 V HN 0.870 nan 8.190 nan 0.000 0.477 197 E N 4.476 124.626 120.200 -0.083 0.000 2.038 197 E HA 0.082 4.463 4.350 0.050 0.000 0.190 197 E C 0.300 176.867 176.600 -0.054 0.000 0.967 197 E CA 0.589 56.947 56.400 -0.070 0.000 0.816 197 E CB 0.186 29.832 29.700 -0.090 0.000 0.784 197 E HN 0.799 nan 8.360 nan 0.000 0.456 198 N N -0.548 118.114 118.700 -0.063 0.000 3.124 198 N HA 0.324 5.094 4.740 0.050 0.000 0.350 198 N C 0.270 175.762 175.510 -0.030 0.000 1.411 198 N CA 0.303 53.335 53.050 -0.030 0.000 0.729 198 N CB 0.191 38.677 38.487 -0.001 0.000 1.379 198 N HN 0.212 nan 8.380 nan 0.000 0.599 199 G N -1.695 107.106 108.800 0.002 0.000 2.916 199 G HA2 0.028 4.018 3.960 0.050 0.000 0.533 199 G HA3 0.028 4.018 3.960 0.050 0.000 0.533 199 G C 0.313 175.200 174.900 -0.023 0.000 1.516 199 G CA 0.225 45.331 45.100 0.010 0.000 0.944 199 G HN 0.861 nan 8.290 nan 0.000 0.555 200 G N -1.072 107.717 108.800 -0.018 0.000 2.579 200 G HA2 0.505 4.495 3.960 0.050 0.000 0.160 200 G HA3 0.505 4.495 3.960 0.050 0.000 0.160 200 G C -0.103 174.629 174.900 -0.279 0.000 1.386 200 G CA -0.069 44.943 45.100 -0.147 0.000 0.713 200 G HN 0.768 nan 8.290 nan 0.000 0.688 201 F N 2.125 122.089 119.950 0.023 0.000 2.411 201 F HA 0.573 5.130 4.527 0.050 0.000 0.355 201 F C 0.064 175.883 175.800 0.031 0.000 1.117 201 F CA -0.697 57.318 58.000 0.025 0.000 1.139 201 F CB 1.882 40.896 39.000 0.024 0.000 1.120 201 F HN -0.010 nan 8.300 nan 0.000 0.493 202 L N 4.288 125.604 121.223 0.156 0.000 2.307 202 L HA 0.707 5.077 4.340 0.050 0.000 0.284 202 L C 0.058 177.005 176.870 0.129 0.000 1.023 202 L CA 0.090 55.002 54.840 0.119 0.000 0.810 202 L CB 0.938 43.039 42.059 0.070 0.000 1.231 202 L HN 0.705 nan 8.230 nan 0.000 0.423 203 G N 3.346 112.215 108.800 0.114 0.000 2.736 203 G HA2 0.486 4.476 3.960 0.050 0.000 0.229 203 G HA3 0.486 4.476 3.960 0.050 0.000 0.229 203 G C -0.824 174.130 174.900 0.091 0.000 1.380 203 G CA -0.410 44.748 45.100 0.096 0.000 1.040 203 G HN 0.633 nan 8.290 nan 0.000 0.568 204 S N 0.052 115.798 115.700 0.078 0.000 2.608 204 S HA 0.445 4.945 4.470 0.050 0.000 0.291 204 S C -0.136 174.523 174.600 0.100 0.000 1.146 204 S CA -0.616 57.635 58.200 0.085 0.000 1.043 204 S CB 1.441 64.678 63.200 0.061 0.000 1.037 204 S HN 0.499 nan 8.310 nan 0.000 0.520 205 K N 0.561 121.039 120.400 0.131 0.000 3.071 205 K HA -0.135 4.215 4.320 0.050 0.000 0.262 205 K C -0.468 176.226 176.600 0.156 0.000 0.977 205 K CA 0.673 57.055 56.287 0.159 0.000 0.721 205 K CB -1.089 31.502 32.500 0.152 0.000 1.293 205 K HN 0.448 nan 8.250 nan 0.000 0.475 206 K N -0.058 120.426 120.400 0.139 0.000 2.107 206 K HA 0.297 4.647 4.320 0.050 0.000 0.251 206 K C 1.064 177.744 176.600 0.132 0.000 1.012 206 K CA 0.016 56.381 56.287 0.130 0.000 0.920 206 K CB 0.564 33.133 32.500 0.113 0.000 1.033 206 K HN 0.292 nan 8.250 nan 0.000 0.478 207 G N -0.060 108.818 108.800 0.130 0.000 2.467 207 G HA2 0.406 4.396 3.960 0.050 0.000 0.257 207 G HA3 0.406 4.396 3.960 0.050 0.000 0.257 207 G C -0.767 174.199 174.900 0.110 0.000 1.227 207 G CA -0.410 44.765 45.100 0.124 0.000 0.835 207 G HN 0.197 nan 8.290 nan 0.000 0.556 208 V N 2.431 122.397 119.914 0.087 0.000 2.638 208 V HA 0.395 4.545 4.120 0.050 0.000 0.306 208 V C -0.791 175.342 176.094 0.064 0.000 1.052 208 V CA -1.054 61.294 62.300 0.081 0.000 0.885 208 V CB 2.040 33.896 31.823 0.055 0.000 0.999 208 V HN 0.779 nan 8.190 nan 0.000 0.424 209 N N 3.865 122.632 118.700 0.111 0.000 2.258 209 N HA 0.683 5.453 4.740 0.050 0.000 0.299 209 N C -1.164 174.427 175.510 0.135 0.000 1.047 209 N CA -0.552 52.551 53.050 0.088 0.000 0.814 209 N CB 2.066 40.603 38.487 0.084 0.000 1.413 209 N HN 0.403 nan 8.380 nan 0.000 0.478 210 L N 3.524 124.789 121.223 0.070 0.000 2.709 210 L HA 0.391 4.762 4.340 0.050 0.000 0.236 210 L C -1.327 175.582 176.870 0.065 0.000 1.266 210 L CA -1.841 53.052 54.840 0.087 0.000 0.987 210 L CB 0.552 42.651 42.059 0.066 0.000 1.306 210 L HN 0.513 nan 8.230 nan 0.000 0.467 211 P HA -0.161 nan 4.420 nan 0.000 0.217 211 P C 1.108 178.427 177.300 0.031 0.000 1.148 211 P CA 1.286 64.407 63.100 0.035 0.000 0.834 211 P CB 0.421 32.114 31.700 -0.013 0.000 0.783 212 G N -1.411 107.416 108.800 0.047 0.000 3.371 212 G HA2 0.447 4.437 3.960 0.050 0.000 0.248 212 G HA3 0.447 4.437 3.960 0.050 0.000 0.248 212 G C 0.449 175.352 174.900 0.005 0.000 1.161 212 G CA 0.351 45.461 45.100 0.016 0.000 0.796 212 G HN 0.553 nan 8.290 nan 0.000 0.539 213 A N -0.463 122.365 122.820 0.013 0.000 2.344 213 A HA 0.873 5.223 4.320 0.050 0.000 0.307 213 A C -0.123 177.465 177.584 0.005 0.000 1.151 213 A CA -0.249 51.796 52.037 0.013 0.000 0.842 213 A CB 1.439 20.460 19.000 0.035 0.000 1.350 213 A HN 0.843 nan 8.150 nan 0.000 0.459 214 A N 0.685 123.513 122.820 0.013 0.000 2.786 214 A HA 0.544 4.894 4.320 0.050 0.000 0.346 214 A C -0.357 177.240 177.584 0.022 0.000 1.265 214 A CA -0.350 51.691 52.037 0.007 0.000 0.858 214 A CB -0.473 18.529 19.000 0.004 0.000 1.118 214 A HN 0.932 nan 8.150 nan 0.000 0.482 215 V N 2.745 122.653 119.914 -0.010 0.000 2.475 215 V HA -0.052 4.098 4.120 0.050 0.000 0.292 215 V C 0.903 176.971 176.094 -0.044 0.000 1.003 215 V CA 1.015 63.287 62.300 -0.047 0.000 1.120 215 V CB 0.112 31.781 31.823 -0.257 0.000 0.937 215 V HN 0.930 nan 8.190 nan 0.000 0.476 216 D N 3.706 124.142 120.400 0.059 0.000 2.325 216 D HA 0.071 4.741 4.640 0.050 0.000 0.234 216 D C 0.393 176.699 176.300 0.011 0.000 1.122 216 D CA -0.129 53.898 54.000 0.044 0.000 0.850 216 D CB -0.110 40.740 40.800 0.083 0.000 0.921 216 D HN 0.462 nan 8.370 nan 0.000 0.513 217 L N 1.145 122.309 121.223 -0.099 0.000 2.467 217 L HA 0.213 4.583 4.340 0.050 0.000 0.270 217 L C -1.585 175.247 176.870 -0.063 0.000 1.205 217 L CA -1.580 53.191 54.840 -0.115 0.000 0.828 217 L CB 0.146 42.034 42.059 -0.285 0.000 1.101 217 L HN 0.022 nan 8.230 nan 0.000 0.479 218 P HA 0.047 nan 4.420 nan 0.000 0.276 218 P C -0.003 177.295 177.300 -0.003 0.000 1.235 218 P CA -0.252 62.846 63.100 -0.005 0.000 0.772 218 P CB 1.371 33.078 31.700 0.012 0.000 0.871 219 A N 4.411 127.237 122.820 0.009 0.000 1.892 219 A HA -0.085 4.265 4.320 0.050 0.000 0.218 219 A C 1.031 178.638 177.584 0.038 0.000 1.188 219 A CA 1.541 53.594 52.037 0.027 0.000 0.631 219 A CB -0.752 18.265 19.000 0.028 0.000 0.822 219 A HN 0.466 nan 8.150 nan 0.000 0.447 220 V N 1.147 121.080 119.914 0.032 0.000 2.349 220 V HA 0.393 4.543 4.120 0.050 0.000 0.284 220 V C 0.295 176.410 176.094 0.035 0.000 1.014 220 V CA -0.201 62.121 62.300 0.037 0.000 0.826 220 V CB 0.942 32.786 31.823 0.035 0.000 1.009 220 V HN 0.589 nan 8.190 nan 0.000 0.431 221 S N 2.878 118.601 115.700 0.039 0.000 2.671 221 S HA 0.358 4.859 4.470 0.050 0.000 0.272 221 S C 1.057 175.685 174.600 0.047 0.000 1.174 221 S CA -0.081 58.142 58.200 0.039 0.000 1.004 221 S CB 1.379 64.601 63.200 0.038 0.000 1.077 221 S HN 0.623 nan 8.310 nan 0.000 0.553 222 E N 0.800 121.028 120.200 0.046 0.000 2.051 222 E HA -0.124 4.257 4.350 0.050 0.000 0.192 222 E C 1.824 178.460 176.600 0.061 0.000 0.991 222 E CA 1.437 57.866 56.400 0.049 0.000 0.799 222 E CB -0.342 29.384 29.700 0.044 0.000 0.748 222 E HN 0.580 nan 8.360 nan 0.000 0.449 223 K N 0.486 120.924 120.400 0.064 0.000 2.063 223 K HA -0.173 4.177 4.320 0.050 0.000 0.208 223 K C 1.535 178.201 176.600 0.110 0.000 1.048 223 K CA 1.742 58.079 56.287 0.083 0.000 0.928 223 K CB -0.366 32.182 32.500 0.081 0.000 0.713 223 K HN 0.219 nan 8.250 nan 0.000 0.442 224 D N 0.705 121.157 120.400 0.087 0.000 2.078 224 D HA -0.133 4.537 4.640 0.050 0.000 0.193 224 D C 2.118 178.458 176.300 0.067 0.000 0.990 224 D CA 1.042 55.086 54.000 0.074 0.000 0.827 224 D CB -0.377 40.456 40.800 0.055 0.000 0.975 224 D HN 0.222 nan 8.370 nan 0.000 0.451 225 I N 1.088 121.695 120.570 0.063 0.000 2.185 225 I HA -0.339 3.861 4.170 0.050 0.000 0.246 225 I C 2.460 178.630 176.117 0.088 0.000 1.088 225 I CA 1.365 62.702 61.300 0.061 0.000 1.347 225 I CB -0.329 37.704 38.000 0.056 0.000 1.041 225 I HN 0.067 nan 8.210 nan 0.000 0.415 226 Q N 0.207 120.080 119.800 0.121 0.000 2.119 226 Q HA -0.186 4.184 4.340 0.050 0.000 0.201 226 Q C 1.814 177.979 176.000 0.276 0.000 0.972 226 Q CA 1.317 57.234 55.803 0.190 0.000 0.847 226 Q CB -0.090 28.752 28.738 0.174 0.000 0.903 226 Q HN 0.530 nan 8.270 nan 0.000 0.433 227 D N 0.873 121.413 120.400 0.233 0.000 2.117 227 D HA -0.126 4.544 4.640 0.050 0.000 0.197 227 D C 2.030 178.304 176.300 -0.044 0.000 0.987 227 D CA 0.944 55.023 54.000 0.131 0.000 0.829 227 D CB -0.120 40.713 40.800 0.054 0.000 0.961 227 D HN 0.209 nan 8.370 nan 0.000 0.460 228 L N 0.430 121.631 121.223 -0.037 0.000 2.017 228 L HA -0.184 4.186 4.340 0.050 0.000 0.208 228 L C 2.429 179.289 176.870 -0.016 0.000 1.073 228 L CA 1.022 55.822 54.840 -0.067 0.000 0.745 228 L CB -0.299 41.740 42.059 -0.035 0.000 0.894 228 L HN -0.096 nan 8.230 nan 0.000 0.432 229 K N -0.115 120.316 120.400 0.052 0.000 2.044 229 K HA -0.239 4.111 4.320 0.050 0.000 0.210 229 K C 1.886 178.535 176.600 0.082 0.000 1.049 229 K CA 1.682 58.012 56.287 0.071 0.000 0.927 229 K CB -0.614 31.954 32.500 0.115 0.000 0.713 229 K HN 0.127 nan 8.250 nan 0.000 0.443 230 F N 0.305 120.228 119.950 -0.045 0.000 2.171 230 F HA -0.081 4.476 4.527 0.050 0.000 0.300 230 F C 1.942 177.667 175.800 -0.125 0.000 1.090 230 F CA 1.865 59.806 58.000 -0.097 0.000 1.293 230 F CB -0.736 38.080 39.000 -0.306 0.000 1.013 230 F HN 0.085 nan 8.300 nan 0.000 0.486 231 G N 0.004 108.712 108.800 -0.153 0.000 2.418 231 G HA2 -0.222 3.768 3.960 0.050 0.000 0.217 231 G HA3 -0.222 3.768 3.960 0.050 0.000 0.217 231 G C 1.750 176.518 174.900 -0.219 0.000 1.158 231 G CA 1.275 46.226 45.100 -0.249 0.000 0.771 231 G HN 0.338 nan 8.290 nan 0.000 0.545 232 V N 0.592 120.420 119.914 -0.143 0.000 2.287 232 V HA -0.154 3.996 4.120 0.050 0.000 0.248 232 V C 2.790 178.806 176.094 -0.130 0.000 1.053 232 V CA 2.105 64.342 62.300 -0.104 0.000 1.027 232 V CB -0.409 31.381 31.823 -0.055 0.000 0.646 232 V HN 0.241 nan 8.190 nan 0.000 0.447 233 E N 0.149 120.253 120.200 -0.160 0.000 2.058 233 E HA -0.192 4.188 4.350 0.050 0.000 0.194 233 E C 2.269 178.722 176.600 -0.246 0.000 0.997 233 E CA 1.259 57.555 56.400 -0.173 0.000 0.801 233 E CB -0.317 29.283 29.700 -0.166 0.000 0.746 233 E HN 0.537 nan 8.360 nan 0.000 0.450 234 Q N 0.335 119.888 119.800 -0.410 0.000 2.482 234 Q HA -0.043 4.327 4.340 0.050 0.000 0.209 234 Q C -0.200 175.677 176.000 -0.205 0.000 0.961 234 Q CA 0.637 56.217 55.803 -0.371 0.000 0.945 234 Q CB -0.074 28.324 28.738 -0.567 0.000 1.012 234 Q HN 0.235 nan 8.270 nan 0.000 0.515 235 D N 0.038 120.337 120.400 -0.167 0.000 2.705 235 D HA -0.146 4.525 4.640 0.050 0.000 0.240 235 D C -0.378 175.869 176.300 -0.087 0.000 1.137 235 D CA 0.508 54.447 54.000 -0.102 0.000 0.677 235 D CB -1.177 39.581 40.800 -0.070 0.000 1.049 235 D HN 0.128 nan 8.370 nan 0.000 0.427 236 V N -2.040 117.805 119.914 -0.114 0.000 2.881 236 V HA 0.352 4.502 4.120 0.050 0.000 0.303 236 V C 1.413 177.462 176.094 -0.076 0.000 1.070 236 V CA 0.168 62.404 62.300 -0.106 0.000 1.074 236 V CB 1.533 33.263 31.823 -0.155 0.000 1.012 236 V HN 0.094 nan 8.190 nan 0.000 0.482 237 D N 2.864 123.228 120.400 -0.059 0.000 2.249 237 D HA 0.122 4.792 4.640 0.050 0.000 0.205 237 D C 0.666 176.947 176.300 -0.032 0.000 0.962 237 D CA 1.585 55.572 54.000 -0.020 0.000 0.860 237 D CB 0.360 41.170 40.800 0.017 0.000 0.955 237 D HN 0.823 nan 8.370 nan 0.000 0.505 238 M N -1.372 118.168 119.600 -0.100 0.000 2.644 238 M HA 0.505 5.015 4.480 0.050 0.000 0.273 238 M C -1.740 174.427 176.300 -0.222 0.000 1.253 238 M CA -0.950 54.289 55.300 -0.102 0.000 0.852 238 M CB 2.980 35.564 32.600 -0.028 0.000 1.708 238 M HN -0.432 nan 8.290 nan 0.000 0.471 239 V N 2.175 122.017 119.914 -0.120 0.000 2.487 239 V HA 0.527 4.677 4.120 0.050 0.000 0.298 239 V C -1.382 174.767 176.094 0.091 0.000 1.028 239 V CA -0.379 61.840 62.300 -0.136 0.000 0.860 239 V CB 1.890 33.665 31.823 -0.080 0.000 0.991 239 V HN 0.683 nan 8.190 nan 0.000 0.427 240 F N 3.582 123.494 119.950 -0.063 0.000 2.351 240 F HA 0.579 5.137 4.527 0.051 0.000 0.362 240 F C 0.849 176.612 175.800 -0.061 0.000 1.131 240 F CA -1.564 56.401 58.000 -0.058 0.000 1.187 240 F CB 0.726 39.696 39.000 -0.050 0.000 1.434 240 F HN 0.533 nan 8.300 nan 0.000 0.553 241 A N 2.668 125.562 122.820 0.122 0.000 2.438 241 A HA 0.421 4.771 4.320 0.050 0.000 0.280 241 A C 0.691 178.287 177.584 0.020 0.000 1.160 241 A CA -0.140 51.929 52.037 0.052 0.000 0.821 241 A CB -0.210 18.809 19.000 0.033 0.000 1.101 241 A HN 0.564 nan 8.150 nan 0.000 0.515 242 S N 1.404 117.112 115.700 0.014 0.000 2.585 242 S HA 0.366 4.866 4.470 0.050 0.000 0.273 242 S C 0.256 174.863 174.600 0.012 0.000 1.339 242 S CA -0.110 58.039 58.200 -0.084 0.000 1.028 242 S CB -0.242 62.926 63.200 -0.053 0.000 0.906 242 S HN 0.737 nan 8.310 nan 0.000 0.528 243 F N -1.027 118.924 119.950 0.002 0.000 3.099 243 F HA -0.214 4.343 4.527 0.050 0.000 0.276 243 F C 0.570 176.364 175.800 -0.010 0.000 0.914 243 F CA 0.019 58.014 58.000 -0.008 0.000 0.948 243 F CB -2.090 36.899 39.000 -0.018 0.000 0.983 243 F HN 0.552 nan 8.300 nan 0.000 0.638 244 I N -0.232 120.393 120.570 0.091 0.000 2.618 244 I HA 0.214 4.414 4.170 0.050 0.000 0.284 244 I C 1.250 177.401 176.117 0.056 0.000 1.146 244 I CA -0.037 61.297 61.300 0.057 0.000 1.425 244 I CB 0.964 38.970 38.000 0.009 0.000 1.383 244 I HN 0.296 nan 8.210 nan 0.000 0.562 245 R N 4.711 125.239 120.500 0.047 0.000 2.508 245 R HA 0.439 4.809 4.340 0.050 0.000 0.300 245 R C -0.466 175.843 176.300 0.014 0.000 0.970 245 R CA -0.617 55.510 56.100 0.044 0.000 1.102 245 R CB -0.025 30.311 30.300 0.058 0.000 1.246 245 R HN 0.819 nan 8.270 nan 0.000 0.539 246 K N -2.108 118.281 120.400 -0.019 0.000 2.685 246 K HA 0.474 4.824 4.320 0.050 0.000 0.290 246 K C -0.135 176.397 176.600 -0.112 0.000 1.018 246 K CA -0.363 55.895 56.287 -0.049 0.000 0.860 246 K CB 0.606 33.090 32.500 -0.026 0.000 1.498 246 K HN -0.159 nan 8.250 nan 0.000 0.390 247 A N 1.234 123.959 122.820 -0.158 0.000 1.903 247 A HA -0.222 4.128 4.320 0.050 0.000 0.219 247 A C 2.320 179.641 177.584 -0.438 0.000 1.191 247 A CA 2.992 54.833 52.037 -0.327 0.000 0.638 247 A CB -1.307 17.540 19.000 -0.255 0.000 0.823 247 A HN 0.925 nan 8.150 nan 0.000 0.451 248 A N -0.015 122.706 122.820 -0.166 0.000 1.892 248 A HA -0.278 4.072 4.320 0.050 0.000 0.218 248 A C 1.768 179.328 177.584 -0.040 0.000 1.188 248 A CA 2.201 54.222 52.037 -0.027 0.000 0.631 248 A CB -0.786 18.228 19.000 0.023 0.000 0.822 248 A HN 0.523 nan 8.150 nan 0.000 0.447 249 D N -0.243 120.122 120.400 -0.059 0.000 2.092 249 D HA -0.129 4.541 4.640 0.050 0.000 0.193 249 D C 2.065 178.341 176.300 -0.041 0.000 0.994 249 D CA 1.643 55.626 54.000 -0.028 0.000 0.828 249 D CB -0.748 40.042 40.800 -0.017 0.000 0.963 249 D HN 0.231 nan 8.370 nan 0.000 0.450 250 V N 0.741 120.585 119.914 -0.117 0.000 2.332 250 V HA -0.276 3.874 4.120 0.050 0.000 0.248 250 V C 2.068 178.152 176.094 -0.017 0.000 1.055 250 V CA 1.841 64.079 62.300 -0.104 0.000 1.038 250 V CB -0.780 30.928 31.823 -0.191 0.000 0.651 250 V HN 0.366 nan 8.190 nan 0.000 0.450 251 H N -0.476 118.592 119.070 -0.004 0.000 2.389 251 H HA -0.136 4.450 4.556 0.050 0.000 0.299 251 H C 2.484 177.813 175.328 0.002 0.000 1.081 251 H CA 1.366 57.412 56.048 -0.003 0.000 1.345 251 H CB 0.160 29.920 29.762 -0.004 0.000 1.393 251 H HN 0.490 nan 8.280 nan 0.000 0.520 252 E N 0.337 120.610 120.200 0.122 0.000 2.051 252 E HA -0.150 4.230 4.350 0.050 0.000 0.192 252 E C 2.327 178.960 176.600 0.055 0.000 0.991 252 E CA 1.167 57.610 56.400 0.072 0.000 0.799 252 E CB 0.116 29.846 29.700 0.051 0.000 0.748 252 E HN 0.195 nan 8.360 nan 0.000 0.449 253 V N 0.913 120.855 119.914 0.046 0.000 2.343 253 V HA -0.260 3.890 4.120 0.050 0.000 0.247 253 V C 2.370 178.484 176.094 0.034 0.000 1.051 253 V CA 1.895 64.213 62.300 0.031 0.000 1.036 253 V CB -0.435 31.400 31.823 0.021 0.000 0.654 253 V HN 0.146 nan 8.190 nan 0.000 0.451 254 R N 0.854 121.387 120.500 0.055 0.000 2.091 254 R HA -0.187 4.183 4.340 0.050 0.000 0.238 254 R C 2.290 178.613 176.300 0.038 0.000 1.136 254 R CA 2.032 58.164 56.100 0.054 0.000 0.959 254 R CB -0.543 29.812 30.300 0.092 0.000 0.856 254 R HN 0.495 nan 8.270 nan 0.000 0.437 255 K N -0.485 119.941 120.400 0.043 0.000 2.057 255 K HA -0.117 4.233 4.320 0.050 0.000 0.207 255 K C 1.791 178.405 176.600 0.023 0.000 1.049 255 K CA 1.580 57.884 56.287 0.028 0.000 0.931 255 K CB -0.124 32.394 32.500 0.030 0.000 0.714 255 K HN 0.091 nan 8.250 nan 0.000 0.440 256 I N 1.231 121.816 120.570 0.025 0.000 2.179 256 I HA -0.246 3.954 4.170 0.050 0.000 0.242 256 I C 1.957 178.083 176.117 0.015 0.000 1.088 256 I CA 0.906 62.219 61.300 0.022 0.000 1.357 256 I CB -0.439 37.575 38.000 0.024 0.000 1.051 256 I HN 0.152 nan 8.210 nan 0.000 0.409 257 L N 0.291 121.520 121.223 0.009 0.000 2.187 257 L HA -0.009 4.361 4.340 0.050 0.000 0.213 257 L C 1.735 178.607 176.870 0.004 0.000 1.100 257 L CA 1.417 56.257 54.840 -0.000 0.000 0.765 257 L CB -1.768 40.289 42.059 -0.003 0.000 0.904 257 L HN 0.472 nan 8.230 nan 0.000 0.437 258 G N -0.575 108.231 108.800 0.010 0.000 2.582 258 G HA2 -0.483 3.507 3.960 0.050 0.000 0.300 258 G HA3 -0.483 3.507 3.960 0.050 0.000 0.300 258 G C 0.935 175.839 174.900 0.007 0.000 1.300 258 G CA 0.815 45.920 45.100 0.009 0.000 0.959 258 G HN 0.319 nan 8.290 nan 0.000 0.548 259 E N -0.043 120.161 120.200 0.006 0.000 2.072 259 E HA -0.016 4.364 4.350 0.050 0.000 0.190 259 E C 2.431 179.033 176.600 0.004 0.000 0.982 259 E CA 2.023 58.426 56.400 0.005 0.000 0.803 259 E CB -0.261 29.442 29.700 0.005 0.000 0.755 259 E HN 0.561 nan 8.360 nan 0.000 0.453 260 K N -0.995 119.406 120.400 0.002 0.000 2.211 260 K HA -0.028 4.322 4.320 0.050 0.000 0.203 260 K C 1.322 177.918 176.600 -0.006 0.000 1.050 260 K CA 1.275 57.560 56.287 -0.002 0.000 0.945 260 K CB -0.194 32.304 32.500 -0.004 0.000 0.732 260 K HN 0.209 nan 8.250 nan 0.000 0.451 261 G N 1.176 109.972 108.800 -0.006 0.000 3.605 261 G HA2 -0.014 3.976 3.960 0.050 0.000 0.277 261 G HA3 -0.014 3.976 3.960 0.050 0.000 0.277 261 G C 0.768 175.668 174.900 0.001 0.000 1.093 261 G CA -0.379 44.715 45.100 -0.010 0.000 0.821 261 G HN 0.338 nan 8.290 nan 0.000 0.532 262 K N 0.181 120.585 120.400 0.007 0.000 2.113 262 K HA -0.143 4.207 4.320 0.050 0.000 0.208 262 K C 1.366 177.979 176.600 0.022 0.000 1.047 262 K CA 1.500 57.796 56.287 0.015 0.000 0.928 262 K CB -0.332 32.177 32.500 0.015 0.000 0.716 262 K HN 0.312 nan 8.250 nan 0.000 0.446 263 N N 0.541 119.254 118.700 0.022 0.000 2.412 263 N HA 0.138 4.908 4.740 0.050 0.000 0.184 263 N C -0.149 175.381 175.510 0.033 0.000 1.101 263 N CA -0.249 52.821 53.050 0.033 0.000 0.881 263 N CB 0.124 38.633 38.487 0.036 0.000 0.969 263 N HN 0.147 nan 8.380 nan 0.000 0.459 264 I N 2.235 122.814 120.570 0.016 0.000 2.517 264 I HA 0.011 4.211 4.170 0.050 0.000 0.285 264 I C 0.170 176.299 176.117 0.020 0.000 1.106 264 I CA -0.182 61.121 61.300 0.006 0.000 1.402 264 I CB 0.481 38.469 38.000 -0.021 0.000 1.399 264 I HN -0.107 nan 8.210 nan 0.000 0.535 265 K N 7.632 128.052 120.400 0.033 0.000 2.322 265 K HA 0.410 4.760 4.320 0.050 0.000 0.283 265 K C -0.317 176.310 176.600 0.044 0.000 1.042 265 K CA -0.175 56.139 56.287 0.045 0.000 0.958 265 K CB 1.039 33.576 32.500 0.062 0.000 0.984 265 K HN 0.513 nan 8.250 nan 0.000 0.473 266 I N 4.575 125.169 120.570 0.041 0.000 2.315 266 I HA 0.171 4.372 4.170 0.050 0.000 0.291 266 I C 0.061 176.211 176.117 0.055 0.000 1.006 266 I CA -0.672 60.656 61.300 0.047 0.000 1.265 266 I CB 0.820 38.837 38.000 0.028 0.000 1.387 266 I HN 0.190 nan 8.210 nan 0.000 0.475 267 I N 5.487 126.126 120.570 0.115 0.000 2.337 267 I HA 0.193 4.393 4.170 0.050 0.000 0.285 267 I C 0.451 176.583 176.117 0.024 0.000 1.041 267 I CA -0.122 61.218 61.300 0.067 0.000 1.199 267 I CB 0.808 38.871 38.000 0.105 0.000 1.370 267 I HN 0.461 nan 8.210 nan 0.000 0.470 268 S N 6.184 121.873 115.700 -0.018 0.000 2.533 268 S HA 0.192 4.692 4.470 0.050 0.000 0.282 268 S C 0.380 174.950 174.600 -0.049 0.000 1.304 268 S CA -0.248 57.937 58.200 -0.026 0.000 1.063 268 S CB 0.575 63.752 63.200 -0.039 0.000 0.881 268 S HN 0.379 nan 8.310 nan 0.000 0.493 269 K N 2.812 123.173 120.400 -0.065 0.000 2.211 269 K HA 0.358 4.709 4.320 0.050 0.000 0.275 269 K C -0.687 175.856 176.600 -0.094 0.000 1.024 269 K CA -0.485 55.731 56.287 -0.118 0.000 0.887 269 K CB 0.701 33.097 32.500 -0.174 0.000 1.084 269 K HN 0.403 nan 8.250 nan 0.000 0.463 270 I N 4.579 125.103 120.570 -0.077 0.000 2.291 270 I HA 0.062 4.262 4.170 0.050 0.000 0.290 270 I C 0.670 176.734 176.117 -0.089 0.000 1.050 270 I CA 0.159 61.434 61.300 -0.042 0.000 1.245 270 I CB 0.611 38.604 38.000 -0.011 0.000 1.405 270 I HN 0.787 nan 8.210 nan 0.000 0.478 271 E N 4.515 124.672 120.200 -0.073 0.000 2.921 271 E HA 0.196 4.576 4.350 0.050 0.000 0.203 271 E C -0.657 175.984 176.600 0.068 0.000 0.975 271 E CA -0.532 55.828 56.400 -0.066 0.000 1.225 271 E CB 0.320 29.875 29.700 -0.243 0.000 1.048 271 E HN 0.655 nan 8.360 nan 0.000 0.477 272 N N -0.762 117.984 118.700 0.078 0.000 2.710 272 N HA 0.044 4.814 4.740 0.050 0.000 0.257 272 N C 0.275 175.835 175.510 0.083 0.000 1.327 272 N CA -0.757 52.360 53.050 0.111 0.000 0.861 272 N CB 0.649 39.239 38.487 0.172 0.000 1.532 272 N HN -0.113 nan 8.380 nan 0.000 0.499 273 H N 0.128 119.205 119.070 0.011 0.000 2.357 273 H HA -0.191 4.396 4.556 0.051 0.000 0.296 273 H C 1.129 176.462 175.328 0.009 0.000 1.108 273 H CA 2.697 58.744 56.048 -0.002 0.000 1.273 273 H CB 0.241 29.999 29.762 -0.008 0.000 1.367 273 H HN 0.844 nan 8.280 nan 0.000 0.498 274 E N -0.243 120.085 120.200 0.213 0.000 2.058 274 E HA -0.097 4.284 4.350 0.050 0.000 0.194 274 E C 2.567 179.224 176.600 0.095 0.000 0.997 274 E CA 1.608 58.097 56.400 0.147 0.000 0.801 274 E CB -0.826 28.930 29.700 0.094 0.000 0.746 274 E HN 0.528 nan 8.360 nan 0.000 0.450 275 G N -0.133 108.714 108.800 0.080 0.000 2.432 275 G HA2 -0.213 3.777 3.960 0.050 0.000 0.219 275 G HA3 -0.213 3.777 3.960 0.050 0.000 0.219 275 G C 1.669 176.619 174.900 0.084 0.000 1.135 275 G CA 1.007 46.151 45.100 0.073 0.000 0.767 275 G HN 0.264 nan 8.290 nan 0.000 0.550 276 V N 0.233 120.153 119.914 0.010 0.000 2.453 276 V HA -0.059 4.091 4.120 0.050 0.000 0.247 276 V C 2.712 178.799 176.094 -0.010 0.000 1.048 276 V CA 1.849 64.117 62.300 -0.053 0.000 1.049 276 V CB -0.381 31.316 31.823 -0.211 0.000 0.672 276 V HN 0.358 nan 8.190 nan 0.000 0.457 277 R N 0.226 120.724 120.500 -0.003 0.000 2.115 277 R HA -0.032 4.338 4.340 0.050 0.000 0.230 277 R C 1.850 178.190 176.300 0.066 0.000 1.111 277 R CA 0.981 57.105 56.100 0.040 0.000 0.976 277 R CB 0.076 30.446 30.300 0.117 0.000 0.870 277 R HN 0.364 nan 8.270 nan 0.000 0.445 278 R N -0.326 120.217 120.500 0.072 0.000 2.466 278 R HA 0.022 4.392 4.340 0.050 0.000 0.279 278 R C 1.096 177.421 176.300 0.042 0.000 0.976 278 R CA -0.190 55.937 56.100 0.045 0.000 1.081 278 R CB -0.024 30.290 30.300 0.022 0.000 1.215 278 R HN 0.185 nan 8.270 nan 0.000 0.546 279 F N 2.933 122.854 119.950 -0.047 0.000 2.063 279 F HA -0.297 4.260 4.527 0.049 0.000 0.298 279 F C 1.461 177.230 175.800 -0.052 0.000 1.109 279 F CA 1.936 59.902 58.000 -0.057 0.000 1.212 279 F CB 0.042 39.001 39.000 -0.069 0.000 0.973 279 F HN -0.016 nan 8.300 nan 0.000 0.480 280 D N 0.282 120.589 120.400 -0.154 0.000 2.126 280 D HA -0.273 4.398 4.640 0.050 0.000 0.190 280 D C 2.190 178.327 176.300 -0.273 0.000 1.001 280 D CA 2.055 55.914 54.000 -0.236 0.000 0.841 280 D CB -0.693 40.077 40.800 -0.050 0.000 0.949 280 D HN 0.729 nan 8.370 nan 0.000 0.446 281 E N 0.203 120.297 120.200 -0.176 0.000 2.268 281 E HA -0.101 4.279 4.350 0.050 0.000 0.195 281 E C 2.173 178.651 176.600 -0.203 0.000 0.995 281 E CA 0.570 56.881 56.400 -0.148 0.000 0.836 281 E CB -0.306 29.341 29.700 -0.089 0.000 0.763 281 E HN 0.309 nan 8.360 nan 0.000 0.491 282 I N 0.510 120.919 120.570 -0.268 0.000 2.333 282 I HA -0.165 4.035 4.170 0.050 0.000 0.246 282 I C 2.365 178.283 176.117 -0.331 0.000 1.106 282 I CA 0.390 61.527 61.300 -0.272 0.000 1.411 282 I CB -0.084 37.779 38.000 -0.228 0.000 1.082 282 I HN 0.173 nan 8.210 nan 0.000 0.420 283 L N 0.801 121.698 121.223 -0.543 0.000 2.131 283 L HA -0.181 4.189 4.340 0.050 0.000 0.210 283 L C 2.406 179.120 176.870 -0.259 0.000 1.092 283 L CA 1.860 56.406 54.840 -0.490 0.000 0.759 283 L CB -0.758 40.845 42.059 -0.760 0.000 0.903 283 L HN 0.166 nan 8.230 nan 0.000 0.435 284 E N 0.110 120.178 120.200 -0.221 0.000 2.077 284 E HA -0.179 4.201 4.350 0.050 0.000 0.193 284 E C 2.034 178.591 176.600 -0.073 0.000 0.989 284 E CA 1.393 57.722 56.400 -0.117 0.000 0.800 284 E CB -0.088 29.560 29.700 -0.087 0.000 0.746 284 E HN 0.586 nan 8.360 nan 0.000 0.452 285 A N 0.385 123.147 122.820 -0.096 0.000 2.067 285 A HA 0.029 4.379 4.320 0.050 0.000 0.217 285 A C 1.539 179.096 177.584 -0.045 0.000 1.156 285 A CA 0.558 52.565 52.037 -0.050 0.000 0.683 285 A CB -0.008 18.861 19.000 -0.218 0.000 0.808 285 A HN 0.187 nan 8.150 nan 0.000 0.455 286 S N -0.035 115.614 115.700 -0.086 0.000 2.707 286 S HA 0.303 4.803 4.470 0.050 0.000 0.276 286 S C 0.058 174.637 174.600 -0.036 0.000 1.179 286 S CA -0.426 57.739 58.200 -0.059 0.000 0.992 286 S CB 0.774 63.924 63.200 -0.083 0.000 1.030 286 S HN 0.393 nan 8.310 nan 0.000 0.554 287 D N 0.041 120.429 120.400 -0.020 0.000 2.355 287 D HA 0.275 4.945 4.640 0.050 0.000 0.206 287 D C 0.776 177.046 176.300 -0.050 0.000 1.010 287 D CA 0.517 54.511 54.000 -0.011 0.000 0.875 287 D CB 0.506 41.316 40.800 0.016 0.000 0.966 287 D HN 0.622 nan 8.370 nan 0.000 0.512 288 G N -0.047 108.718 108.800 -0.058 0.000 2.550 288 G HA2 0.500 4.490 3.960 0.050 0.000 0.293 288 G HA3 0.500 4.490 3.960 0.050 0.000 0.293 288 G C -1.794 173.066 174.900 -0.066 0.000 1.402 288 G CA -0.486 44.562 45.100 -0.088 0.000 0.784 288 G HN -0.095 nan 8.290 nan 0.000 0.482 289 I N 0.451 120.982 120.570 -0.066 0.000 2.769 289 I HA 0.535 4.735 4.170 0.050 0.000 0.298 289 I C -0.548 175.502 176.117 -0.112 0.000 1.128 289 I CA -0.743 60.538 61.300 -0.031 0.000 1.031 289 I CB 2.074 40.154 38.000 0.133 0.000 1.235 289 I HN 0.627 nan 8.210 nan 0.000 0.423 290 M N 5.690 125.203 119.600 -0.145 0.000 2.190 290 M HA 0.445 4.955 4.480 0.050 0.000 0.312 290 M C -1.472 174.731 176.300 -0.161 0.000 0.990 290 M CA -0.699 54.469 55.300 -0.220 0.000 0.927 290 M CB 1.591 33.978 32.600 -0.356 0.000 1.571 290 M HN 0.264 nan 8.290 nan 0.000 0.427 291 V N 5.297 125.121 119.914 -0.150 0.000 2.352 291 V HA 0.235 4.386 4.120 0.050 0.000 0.253 291 V C 0.732 176.746 176.094 -0.132 0.000 1.083 291 V CA -0.219 61.999 62.300 -0.137 0.000 0.993 291 V CB 0.182 31.927 31.823 -0.131 0.000 1.111 291 V HN 0.887 nan 8.190 nan 0.000 0.490 292 A N 5.509 128.245 122.820 -0.140 0.000 3.091 292 A HA 0.287 4.637 4.320 0.050 0.000 0.264 292 A C 1.596 179.118 177.584 -0.103 0.000 1.673 292 A CA -0.421 51.534 52.037 -0.138 0.000 1.362 292 A CB -0.529 18.356 19.000 -0.192 0.000 1.137 292 A HN 0.875 nan 8.150 nan 0.000 0.617 293 R N 0.639 121.092 120.500 -0.080 0.000 2.204 293 R HA -0.221 4.149 4.340 0.050 0.000 0.253 293 R C 2.163 178.441 176.300 -0.037 0.000 1.172 293 R CA 1.578 57.645 56.100 -0.055 0.000 0.994 293 R CB -0.432 29.845 30.300 -0.038 0.000 0.874 293 R HN 0.656 nan 8.270 nan 0.000 0.462 294 G N 1.453 110.233 108.800 -0.035 0.000 2.701 294 G HA2 -0.303 3.687 3.960 0.050 0.000 0.215 294 G HA3 -0.303 3.687 3.960 0.050 0.000 0.215 294 G C 0.937 175.839 174.900 0.002 0.000 1.297 294 G CA 1.303 46.397 45.100 -0.009 0.000 0.807 294 G HN 0.248 nan 8.290 nan 0.000 0.608 295 D N 0.100 120.503 120.400 0.005 0.000 2.178 295 D HA -0.064 4.606 4.640 0.050 0.000 0.202 295 D C 2.460 178.781 176.300 0.033 0.000 0.974 295 D CA 0.514 54.554 54.000 0.066 0.000 0.841 295 D CB -0.082 40.826 40.800 0.180 0.000 0.953 295 D HN 0.171 nan 8.370 nan 0.000 0.478 296 L N 1.307 122.522 121.223 -0.012 0.000 2.079 296 L HA -0.045 4.325 4.340 0.050 0.000 0.210 296 L C 2.148 178.996 176.870 -0.036 0.000 1.081 296 L CA 1.812 56.636 54.840 -0.028 0.000 0.752 296 L CB -0.883 41.138 42.059 -0.063 0.000 0.896 296 L HN -0.006 nan 8.230 nan 0.000 0.433 297 G N -1.397 107.382 108.800 -0.035 0.000 2.776 297 G HA2 -0.039 3.951 3.960 0.050 0.000 0.209 297 G HA3 -0.039 3.951 3.960 0.050 0.000 0.209 297 G C 1.401 176.261 174.900 -0.067 0.000 1.145 297 G CA 0.750 45.827 45.100 -0.038 0.000 0.791 297 G HN 0.491 nan 8.290 nan 0.000 0.530 298 I N -0.910 119.612 120.570 -0.081 0.000 3.136 298 I HA 0.098 4.299 4.170 0.050 0.000 0.262 298 I C 2.229 178.223 176.117 -0.205 0.000 1.132 298 I CA 0.007 61.200 61.300 -0.178 0.000 1.450 298 I CB 0.029 37.961 38.000 -0.113 0.000 1.315 298 I HN -0.052 nan 8.210 nan 0.000 0.460 299 E N 1.890 122.043 120.200 -0.079 0.000 2.130 299 E HA -0.120 4.260 4.350 0.050 0.000 0.196 299 E C 0.701 177.285 176.600 -0.027 0.000 0.998 299 E CA 1.209 57.590 56.400 -0.032 0.000 0.806 299 E CB -0.106 29.623 29.700 0.048 0.000 0.738 299 E HN 0.564 nan 8.360 nan 0.000 0.459 300 I N -3.362 117.187 120.570 -0.035 0.000 2.892 300 I HA 0.454 4.654 4.170 0.050 0.000 0.306 300 I C -2.752 173.338 176.117 -0.044 0.000 1.078 300 I CA -3.075 58.219 61.300 -0.010 0.000 1.032 300 I CB 2.222 40.220 38.000 -0.003 0.000 1.229 300 I HN -0.366 nan 8.210 nan 0.000 0.435 301 P HA -0.035 nan 4.420 nan 0.000 0.263 301 P C 0.412 177.704 177.300 -0.013 0.000 1.168 301 P CA 0.457 63.547 63.100 -0.017 0.000 0.759 301 P CB 0.800 32.504 31.700 0.008 0.000 0.782 302 A N 4.450 127.267 122.820 -0.006 0.000 1.883 302 A HA -0.237 4.113 4.320 0.050 0.000 0.217 302 A C 1.600 179.216 177.584 0.054 0.000 1.186 302 A CA 1.790 53.834 52.037 0.013 0.000 0.624 302 A CB -1.083 17.927 19.000 0.016 0.000 0.822 302 A HN 0.619 nan 8.150 nan 0.000 0.444 303 E N 0.399 120.642 120.200 0.070 0.000 2.463 303 E HA -0.100 4.280 4.350 0.050 0.000 0.201 303 E C 1.317 178.043 176.600 0.211 0.000 1.045 303 E CA 1.219 57.702 56.400 0.139 0.000 0.872 303 E CB -0.206 29.559 29.700 0.108 0.000 0.797 303 E HN 0.681 nan 8.360 nan 0.000 0.538 304 K N -0.052 120.389 120.400 0.068 0.000 2.355 304 K HA 0.161 4.511 4.320 0.050 0.000 0.198 304 K C 1.439 177.935 176.600 -0.172 0.000 1.039 304 K CA 0.015 56.254 56.287 -0.079 0.000 1.075 304 K CB 0.613 33.056 32.500 -0.095 0.000 0.870 304 K HN -0.033 nan 8.250 nan 0.000 0.540 305 V N 1.985 121.873 119.914 -0.043 0.000 2.287 305 V HA -0.297 3.853 4.120 0.050 0.000 0.248 305 V C 2.103 178.138 176.094 -0.099 0.000 1.053 305 V CA 2.140 64.400 62.300 -0.067 0.000 1.027 305 V CB -0.663 31.158 31.823 -0.004 0.000 0.646 305 V HN 0.384 nan 8.190 nan 0.000 0.447 306 F N 0.315 120.227 119.950 -0.063 0.000 2.184 306 F HA -0.215 4.341 4.527 0.047 0.000 0.301 306 F C 1.933 177.688 175.800 -0.074 0.000 1.076 306 F CA 1.705 59.668 58.000 -0.062 0.000 1.295 306 F CB -0.999 37.972 39.000 -0.047 0.000 1.026 306 F HN 0.096 nan 8.300 nan 0.000 0.494 307 L N 0.707 121.246 121.223 -1.141 0.000 2.027 307 L HA -0.095 4.275 4.340 0.050 0.000 0.206 307 L C 3.057 179.669 176.870 -0.431 0.000 1.074 307 L CA 1.177 55.499 54.840 -0.864 0.000 0.745 307 L CB -1.224 40.348 42.059 -0.812 0.000 0.898 307 L HN 0.346 nan 8.230 nan 0.000 0.433 308 A N -0.503 122.101 122.820 -0.360 0.000 1.902 308 A HA -0.276 4.074 4.320 0.050 0.000 0.217 308 A C 2.266 179.686 177.584 -0.274 0.000 1.181 308 A CA 1.831 53.689 52.037 -0.298 0.000 0.623 308 A CB -0.598 18.248 19.000 -0.258 0.000 0.818 308 A HN 0.501 nan 8.150 nan 0.000 0.443 309 Q N -0.042 119.635 119.800 -0.206 0.000 2.002 309 Q HA -0.243 4.127 4.340 0.050 0.000 0.204 309 Q C 1.997 177.905 176.000 -0.153 0.000 0.988 309 Q CA 2.118 57.827 55.803 -0.157 0.000 0.843 309 Q CB -0.188 28.504 28.738 -0.076 0.000 0.908 309 Q HN 0.675 nan 8.270 nan 0.000 0.420 310 K N 0.062 120.390 120.400 -0.120 0.000 2.057 310 K HA -0.167 4.184 4.320 0.050 0.000 0.207 310 K C 2.238 178.757 176.600 -0.136 0.000 1.049 310 K CA 1.531 57.764 56.287 -0.089 0.000 0.931 310 K CB -0.295 32.180 32.500 -0.040 0.000 0.714 310 K HN 0.363 nan 8.250 nan 0.000 0.440 311 M N 1.318 120.800 119.600 -0.196 0.000 2.080 311 M HA -0.188 4.322 4.480 0.050 0.000 0.260 311 M C 2.021 178.148 176.300 -0.288 0.000 1.068 311 M CA 1.758 56.928 55.300 -0.218 0.000 1.109 311 M CB -0.270 32.179 32.600 -0.252 0.000 1.342 311 M HN 0.139 nan 8.290 nan 0.000 0.405 312 I N 0.385 120.701 120.570 -0.424 0.000 2.142 312 I HA -0.360 3.840 4.170 0.050 0.000 0.240 312 I C 2.425 178.387 176.117 -0.258 0.000 1.078 312 I CA 1.437 62.376 61.300 -0.601 0.000 1.343 312 I CB -0.507 37.114 38.000 -0.632 0.000 1.046 312 I HN 0.308 nan 8.210 nan 0.000 0.405 313 I N 0.779 121.247 120.570 -0.169 0.000 2.264 313 I HA -0.249 3.951 4.170 0.050 0.000 0.248 313 I C 2.636 178.723 176.117 -0.050 0.000 1.111 313 I CA 1.590 62.841 61.300 -0.082 0.000 1.382 313 I CB -0.909 37.053 38.000 -0.064 0.000 1.060 313 I HN 0.315 nan 8.210 nan 0.000 0.418 314 G N 0.798 109.559 108.800 -0.065 0.000 2.433 314 G HA2 -0.224 3.766 3.960 0.050 0.000 0.216 314 G HA3 -0.224 3.766 3.960 0.050 0.000 0.216 314 G C 1.785 176.682 174.900 -0.006 0.000 1.186 314 G CA 0.422 45.502 45.100 -0.033 0.000 0.779 314 G HN 0.296 nan 8.290 nan 0.000 0.543 315 R N -0.604 119.902 120.500 0.011 0.000 2.120 315 R HA -0.037 4.333 4.340 0.050 0.000 0.234 315 R C 2.658 179.026 176.300 0.113 0.000 1.123 315 R CA 1.116 57.273 56.100 0.095 0.000 0.975 315 R CB -0.653 29.787 30.300 0.233 0.000 0.866 315 R HN 0.385 nan 8.270 nan 0.000 0.446 316 C N 0.646 120.018 119.300 0.120 0.000 2.446 316 C HA -0.050 4.440 4.460 0.050 0.000 0.277 316 C C 2.223 177.225 174.990 0.019 0.000 1.275 316 C CA 0.665 59.733 59.018 0.085 0.000 1.727 316 C CB -1.191 26.593 27.740 0.073 0.000 2.010 316 C HN 0.570 nan 8.230 nan 0.000 0.486 317 N N 0.157 118.860 118.700 0.005 0.000 2.069 317 N HA -0.188 4.582 4.740 0.050 0.000 0.191 317 N C 2.087 177.576 175.510 -0.035 0.000 1.031 317 N CA 0.874 53.915 53.050 -0.014 0.000 0.852 317 N CB -0.285 38.200 38.487 -0.004 0.000 1.018 317 N HN 0.498 nan 8.380 nan 0.000 0.423 318 R N 1.094 121.585 120.500 -0.016 0.000 2.152 318 R HA -0.040 4.330 4.340 0.050 0.000 0.232 318 R C 1.720 178.002 176.300 -0.031 0.000 1.117 318 R CA 1.218 57.304 56.100 -0.023 0.000 0.981 318 R CB -0.035 30.264 30.300 -0.002 0.000 0.870 318 R HN 0.174 nan 8.270 nan 0.000 0.451 319 A N -0.615 122.196 122.820 -0.016 0.000 2.081 319 A HA 0.212 4.562 4.320 0.050 0.000 0.214 319 A C 1.387 178.953 177.584 -0.029 0.000 1.158 319 A CA 0.850 52.875 52.037 -0.020 0.000 0.724 319 A CB 0.091 19.084 19.000 -0.013 0.000 0.826 319 A HN 0.508 nan 8.150 nan 0.000 0.463 320 G N -0.667 108.110 108.800 -0.039 0.000 2.132 320 G HA2 -0.217 3.773 3.960 0.050 0.000 0.234 320 G HA3 -0.217 3.773 3.960 0.050 0.000 0.234 320 G C 0.009 174.930 174.900 0.034 0.000 0.989 320 G CA 0.425 45.510 45.100 -0.026 0.000 0.676 320 G HN 0.553 nan 8.290 nan 0.000 0.522 321 K N 0.564 120.961 120.400 -0.004 0.000 2.164 321 K HA 0.501 4.851 4.320 0.050 0.000 0.258 321 K C -2.639 173.886 176.600 -0.125 0.000 0.951 321 K CA -2.148 54.113 56.287 -0.044 0.000 0.844 321 K CB 1.951 34.424 32.500 -0.045 0.000 1.099 321 K HN -0.043 nan 8.250 nan 0.000 0.435 322 P HA -0.019 nan 4.420 nan 0.000 0.266 322 P C -1.042 176.147 177.300 -0.185 0.000 1.195 322 P CA -0.283 62.611 63.100 -0.345 0.000 0.768 322 P CB 0.645 31.989 31.700 -0.594 0.000 0.838 323 V N 4.887 124.717 119.914 -0.141 0.000 2.760 323 V HA 0.526 4.676 4.120 0.050 0.000 0.309 323 V C -0.929 175.092 176.094 -0.121 0.000 1.077 323 V CA -0.808 61.429 62.300 -0.105 0.000 0.910 323 V CB 1.415 33.202 31.823 -0.059 0.000 1.008 323 V HN 0.305 nan 8.190 nan 0.000 0.424 324 I N 5.773 126.252 120.570 -0.151 0.000 2.493 324 I HA 0.505 4.706 4.170 0.050 0.000 0.298 324 I C -0.364 175.670 176.117 -0.139 0.000 0.998 324 I CA -0.489 60.714 61.300 -0.161 0.000 1.137 324 I CB 1.814 39.658 38.000 -0.260 0.000 1.310 324 I HN 0.637 nan 8.210 nan 0.000 0.445 325 C N 5.639 124.877 119.300 -0.102 0.000 2.355 325 C HA 0.926 5.416 4.460 0.050 0.000 0.332 325 C C 0.174 175.117 174.990 -0.079 0.000 1.255 325 C CA 0.033 59.001 59.018 -0.083 0.000 1.792 325 C CB 0.012 27.720 27.740 -0.052 0.000 2.300 325 C HN 0.912 nan 8.230 nan 0.000 0.515 326 A N 3.763 126.537 122.820 -0.078 0.000 2.593 326 A HA 0.922 5.272 4.320 0.050 0.000 0.290 326 A C -0.255 177.305 177.584 -0.039 0.000 1.126 326 A CA -0.104 51.896 52.037 -0.061 0.000 0.695 326 A CB 0.926 19.872 19.000 -0.091 0.000 1.290 326 A HN 1.529 nan 8.150 nan 0.000 0.414 327 T N 1.320 115.864 114.554 -0.017 0.000 0.630 327 T HA -0.080 4.300 4.350 0.050 0.000 0.765 327 T C 0.092 174.797 174.700 0.007 0.000 0.991 327 T CA 0.865 62.964 62.100 -0.001 0.000 4.032 327 T CB -1.352 67.510 68.868 -0.010 0.000 2.278 327 T HN 1.646 nan 8.240 nan 0.000 0.395 328 Q N 0.022 119.833 119.800 0.019 0.000 2.468 328 Q HA -0.287 4.083 4.340 0.050 0.000 0.256 328 Q C 1.540 177.550 176.000 0.018 0.000 0.984 328 Q CA 1.564 57.381 55.803 0.022 0.000 1.110 328 Q CB -1.298 27.453 28.738 0.022 0.000 1.527 328 Q HN 0.848 nan 8.270 nan 0.000 0.535 329 M N -0.656 118.953 119.600 0.015 0.000 2.086 329 M HA -0.159 4.351 4.480 0.050 0.000 0.261 329 M C 0.979 177.289 176.300 0.016 0.000 1.067 329 M CA 1.479 56.787 55.300 0.013 0.000 1.116 329 M CB 0.004 32.610 32.600 0.011 0.000 1.348 329 M HN 0.155 nan 8.290 nan 0.000 0.407 330 L N -0.407 120.830 121.223 0.024 0.000 3.110 330 L HA 0.168 4.538 4.340 0.050 0.000 0.266 330 L C 1.299 178.189 176.870 0.033 0.000 1.257 330 L CA 0.277 55.132 54.840 0.026 0.000 1.038 330 L CB -0.249 41.829 42.059 0.032 0.000 1.395 330 L HN 0.073 nan 8.230 nan 0.000 0.566 331 E N 1.069 121.288 120.200 0.031 0.000 2.119 331 E HA -0.352 4.028 4.350 0.050 0.000 0.221 331 E C 2.260 178.885 176.600 0.041 0.000 1.062 331 E CA 2.411 58.833 56.400 0.037 0.000 0.894 331 E CB -0.138 29.581 29.700 0.032 0.000 0.785 331 E HN 0.477 nan 8.360 nan 0.000 0.472 332 S N -0.574 115.145 115.700 0.032 0.000 2.441 332 S HA -0.231 4.269 4.470 0.050 0.000 0.242 332 S C 1.926 176.552 174.600 0.044 0.000 1.018 332 S CA 1.658 59.877 58.200 0.032 0.000 0.988 332 S CB -0.477 62.733 63.200 0.016 0.000 0.778 332 S HN 0.388 nan 8.310 nan 0.000 0.498 333 M N 0.502 120.130 119.600 0.048 0.000 2.686 333 M HA 0.205 4.716 4.480 0.050 0.000 0.246 333 M C 1.396 177.793 176.300 0.162 0.000 1.096 333 M CA 0.537 55.879 55.300 0.071 0.000 1.076 333 M CB -0.464 32.169 32.600 0.054 0.000 1.504 333 M HN 0.392 nan 8.290 nan 0.000 0.524 334 I N 0.073 120.718 120.570 0.125 0.000 2.394 334 I HA -0.252 3.948 4.170 0.050 0.000 0.251 334 I C 1.940 178.157 176.117 0.167 0.000 1.136 334 I CA 1.069 62.444 61.300 0.125 0.000 1.425 334 I CB -0.207 37.839 38.000 0.076 0.000 1.079 334 I HN 0.229 nan 8.210 nan 0.000 0.425 335 K N 0.315 120.823 120.400 0.180 0.000 2.412 335 K HA 0.298 4.648 4.320 0.050 0.000 0.202 335 K C 0.138 176.919 176.600 0.303 0.000 1.102 335 K CA 0.264 56.675 56.287 0.206 0.000 1.027 335 K CB 0.806 33.371 32.500 0.108 0.000 0.931 335 K HN 0.210 nan 8.250 nan 0.000 0.557 336 K N 1.303 121.804 120.400 0.169 0.000 2.318 336 K HA 0.249 4.599 4.320 0.050 0.000 0.249 336 K C -2.062 174.219 176.600 -0.533 0.000 0.942 336 K CA -1.957 54.273 56.287 -0.095 0.000 0.808 336 K CB 2.351 34.811 32.500 -0.067 0.000 1.189 336 K HN -0.294 nan 8.250 nan 0.000 0.428 337 P HA -0.099 nan 4.420 nan 0.000 0.225 337 P C -0.421 176.652 177.300 -0.379 0.000 1.156 337 P CA 0.979 63.501 63.100 -0.963 0.000 0.787 337 P CB 0.555 31.816 31.700 -0.732 0.000 0.802 338 R N 0.647 121.003 120.500 -0.240 0.000 2.670 338 R HA 0.468 4.838 4.340 0.050 0.000 0.289 338 R C -2.410 173.843 176.300 -0.078 0.000 0.965 338 R CA -2.323 53.704 56.100 -0.122 0.000 0.899 338 R CB 1.482 31.727 30.300 -0.092 0.000 1.173 338 R HN 0.061 nan 8.270 nan 0.000 0.456 339 P HA 0.021 nan 4.420 nan 0.000 0.274 339 P C -0.142 177.145 177.300 -0.021 0.000 1.246 339 P CA -0.250 62.836 63.100 -0.024 0.000 0.795 339 P CB 0.666 32.360 31.700 -0.010 0.000 1.006 340 T N -0.966 113.580 114.554 -0.013 0.000 2.816 340 T HA 0.213 4.593 4.350 0.050 0.000 0.282 340 T C 1.475 176.168 174.700 -0.012 0.000 0.993 340 T CA -0.671 61.422 62.100 -0.012 0.000 0.994 340 T CB 0.526 69.390 68.868 -0.007 0.000 1.025 340 T HN 0.200 nan 8.240 nan 0.000 0.529 341 R N 0.763 121.255 120.500 -0.013 0.000 2.115 341 R HA 0.045 4.415 4.340 0.050 0.000 0.230 341 R C 2.540 178.832 176.300 -0.015 0.000 1.111 341 R CA 1.363 57.454 56.100 -0.015 0.000 0.976 341 R CB -1.664 28.627 30.300 -0.016 0.000 0.870 341 R HN 0.843 nan 8.270 nan 0.000 0.445 342 A N 1.324 124.136 122.820 -0.014 0.000 1.929 342 A HA -0.113 4.237 4.320 0.050 0.000 0.216 342 A C 1.983 179.561 177.584 -0.011 0.000 1.176 342 A CA 0.977 53.005 52.037 -0.015 0.000 0.628 342 A CB -0.185 18.806 19.000 -0.014 0.000 0.816 342 A HN 0.329 nan 8.150 nan 0.000 0.444 343 E N -0.365 119.831 120.200 -0.006 0.000 2.072 343 E HA -0.098 4.282 4.350 0.050 0.000 0.191 343 E C 2.127 178.726 176.600 -0.002 0.000 0.985 343 E CA 0.758 57.157 56.400 -0.001 0.000 0.801 343 E CB -0.378 29.323 29.700 0.003 0.000 0.750 343 E HN 0.583 nan 8.360 nan 0.000 0.452 344 G N 0.971 109.768 108.800 -0.005 0.000 2.446 344 G HA2 -0.338 3.652 3.960 0.050 0.000 0.217 344 G HA3 -0.338 3.652 3.960 0.050 0.000 0.217 344 G C 1.659 176.555 174.900 -0.007 0.000 1.168 344 G CA 1.026 46.123 45.100 -0.005 0.000 0.771 344 G HN 0.296 nan 8.290 nan 0.000 0.551 345 S N 0.410 116.104 115.700 -0.011 0.000 2.370 345 S HA -0.192 4.308 4.470 0.050 0.000 0.226 345 S C 2.093 176.687 174.600 -0.010 0.000 1.033 345 S CA 2.055 60.247 58.200 -0.014 0.000 1.011 345 S CB -0.492 62.696 63.200 -0.021 0.000 0.852 345 S HN 0.408 nan 8.310 nan 0.000 0.457 346 D N 0.041 120.437 120.400 -0.008 0.000 2.149 346 D HA -0.078 4.592 4.640 0.050 0.000 0.198 346 D C 1.805 178.106 176.300 0.001 0.000 0.990 346 D CA 1.271 55.269 54.000 -0.003 0.000 0.839 346 D CB -0.171 40.628 40.800 -0.001 0.000 0.948 346 D HN 0.324 nan 8.370 nan 0.000 0.460 347 V N 0.402 120.317 119.914 0.001 0.000 2.379 347 V HA -0.117 4.033 4.120 0.050 0.000 0.245 347 V C 2.526 178.623 176.094 0.004 0.000 1.044 347 V CA 1.534 63.837 62.300 0.004 0.000 1.036 347 V CB -0.788 31.039 31.823 0.007 0.000 0.664 347 V HN 0.312 nan 8.190 nan 0.000 0.453 348 A N 0.556 123.377 122.820 0.002 0.000 1.865 348 A HA -0.258 4.093 4.320 0.050 0.000 0.217 348 A C 2.052 179.641 177.584 0.009 0.000 1.191 348 A CA 2.148 54.187 52.037 0.003 0.000 0.623 348 A CB -0.762 18.237 19.000 -0.003 0.000 0.826 348 A HN 0.589 nan 8.150 nan 0.000 0.444 349 N N 0.164 118.869 118.700 0.007 0.000 2.364 349 N HA -0.091 4.679 4.740 0.050 0.000 0.183 349 N C 1.800 177.321 175.510 0.018 0.000 1.022 349 N CA 1.263 54.321 53.050 0.015 0.000 0.883 349 N CB -0.340 38.153 38.487 0.009 0.000 0.965 349 N HN 0.523 nan 8.380 nan 0.000 0.438 350 A N 0.615 123.442 122.820 0.011 0.000 1.897 350 A HA -0.020 4.330 4.320 0.050 0.000 0.215 350 A C 2.479 180.069 177.584 0.010 0.000 1.181 350 A CA 0.870 52.911 52.037 0.006 0.000 0.620 350 A CB -0.503 18.496 19.000 -0.001 0.000 0.821 350 A HN 0.082 nan 8.150 nan 0.000 0.443 351 V N 0.317 120.240 119.914 0.015 0.000 2.358 351 V HA -0.224 3.926 4.120 0.050 0.000 0.246 351 V C 2.524 178.636 176.094 0.031 0.000 1.047 351 V CA 1.791 64.105 62.300 0.023 0.000 1.035 351 V CB -0.825 31.012 31.823 0.024 0.000 0.658 351 V HN 0.547 nan 8.190 nan 0.000 0.452 352 L N -0.298 120.945 121.223 0.032 0.000 2.093 352 L HA -0.158 4.212 4.340 0.050 0.000 0.208 352 L C 2.370 179.272 176.870 0.052 0.000 1.085 352 L CA 1.380 56.248 54.840 0.046 0.000 0.755 352 L CB -0.782 41.309 42.059 0.053 0.000 0.904 352 L HN 0.322 nan 8.230 nan 0.000 0.435 353 D N 0.227 120.651 120.400 0.040 0.000 2.182 353 D HA -0.129 4.541 4.640 0.050 0.000 0.201 353 D C 1.659 177.976 176.300 0.029 0.000 0.986 353 D CA 1.691 55.712 54.000 0.034 0.000 0.847 353 D CB 0.072 40.882 40.800 0.016 0.000 0.942 353 D HN 0.485 nan 8.370 nan 0.000 0.467 354 G N -0.594 108.222 108.800 0.026 0.000 2.173 354 G HA2 -0.055 3.935 3.960 0.050 0.000 0.142 354 G HA3 -0.055 3.935 3.960 0.050 0.000 0.142 354 G C 0.358 175.266 174.900 0.013 0.000 1.019 354 G CA 0.132 45.249 45.100 0.028 0.000 0.699 354 G HN 0.545 nan 8.290 nan 0.000 0.495 355 A N 0.410 123.230 122.820 0.001 0.000 2.540 355 A HA 0.464 4.814 4.320 0.050 0.000 0.239 355 A C 1.248 178.828 177.584 -0.006 0.000 1.061 355 A CA 1.049 53.077 52.037 -0.016 0.000 0.758 355 A CB 0.245 19.231 19.000 -0.024 0.000 0.991 355 A HN 0.279 nan 8.150 nan 0.000 0.502 356 D N 0.590 120.974 120.400 -0.026 0.000 2.123 356 D HA -0.013 4.657 4.640 0.050 0.000 0.200 356 D C 0.189 176.486 176.300 -0.005 0.000 0.976 356 D CA 1.341 55.331 54.000 -0.016 0.000 0.831 356 D CB 0.129 40.886 40.800 -0.072 0.000 0.974 356 D HN 0.576 nan 8.370 nan 0.000 0.469 357 C N 0.633 119.915 119.300 -0.031 0.000 2.802 357 C HA 0.634 5.124 4.460 0.050 0.000 0.307 357 C C -0.099 174.874 174.990 -0.028 0.000 1.222 357 C CA -1.063 57.945 59.018 -0.017 0.000 1.580 357 C CB 1.890 29.615 27.740 -0.024 0.000 2.119 357 C HN 0.178 nan 8.230 nan 0.000 0.479 358 I N 0.302 120.867 120.570 -0.009 0.000 2.646 358 I HA 0.749 4.949 4.170 0.050 0.000 0.299 358 I C -0.701 175.414 176.117 -0.005 0.000 1.036 358 I CA -0.698 60.596 61.300 -0.011 0.000 1.074 358 I CB 1.598 39.601 38.000 0.005 0.000 1.258 358 I HN 0.730 nan 8.210 nan 0.000 0.430 359 M N 5.455 125.049 119.600 -0.011 0.000 2.724 359 M HA 0.677 5.187 4.480 0.050 0.000 0.310 359 M C -1.961 174.353 176.300 0.022 0.000 1.217 359 M CA -0.842 54.462 55.300 0.007 0.000 0.894 359 M CB 2.512 35.104 32.600 -0.015 0.000 1.719 359 M HN 0.675 nan 8.290 nan 0.000 0.479 360 L N 1.939 123.186 121.223 0.041 0.000 2.436 360 L HA 0.552 4.923 4.340 0.050 0.000 0.268 360 L C -1.130 175.777 176.870 0.061 0.000 0.974 360 L CA -0.522 54.346 54.840 0.047 0.000 0.826 360 L CB 2.394 44.483 42.059 0.051 0.000 1.291 360 L HN 0.846 nan 8.230 nan 0.000 0.406 361 S N 0.674 116.411 115.700 0.061 0.000 2.461 361 S HA 0.733 5.233 4.470 0.050 0.000 0.216 361 S C 0.137 174.780 174.600 0.071 0.000 1.201 361 S CA 0.056 58.301 58.200 0.076 0.000 1.171 361 S CB 1.553 64.801 63.200 0.080 0.000 1.169 361 S HN 1.090 nan 8.310 nan 0.000 0.456 362 G N 3.299 112.142 108.800 0.071 0.000 2.909 362 G HA2 -0.220 3.770 3.960 0.050 0.000 0.198 362 G HA3 -0.220 3.770 3.960 0.050 0.000 0.198 362 G C 0.548 175.484 174.900 0.060 0.000 1.124 362 G CA 0.157 45.295 45.100 0.063 0.000 0.796 362 G HN 0.574 nan 8.290 nan 0.000 0.489 363 E N 0.574 120.812 120.200 0.063 0.000 2.338 363 E HA 0.190 4.570 4.350 0.050 0.000 0.197 363 E C 2.175 178.817 176.600 0.070 0.000 1.007 363 E CA 1.660 58.102 56.400 0.070 0.000 0.849 363 E CB 0.002 29.742 29.700 0.068 0.000 0.774 363 E HN 0.482 nan 8.360 nan 0.000 0.506 364 T N -0.956 113.637 114.554 0.064 0.000 3.058 364 T HA 0.241 4.621 4.350 0.050 0.000 0.247 364 T C 1.775 176.510 174.700 0.059 0.000 0.987 364 T CA 0.364 62.501 62.100 0.061 0.000 1.062 364 T CB 0.080 68.985 68.868 0.062 0.000 1.048 364 T HN 0.188 nan 8.240 nan 0.000 0.468 365 A N 2.440 125.301 122.820 0.068 0.000 1.858 365 A HA -0.069 4.281 4.320 0.050 0.000 0.216 365 A C 1.624 179.242 177.584 0.057 0.000 1.190 365 A CA 1.960 54.042 52.037 0.075 0.000 0.617 365 A CB -0.214 18.840 19.000 0.090 0.000 0.827 365 A HN 0.518 nan 8.150 nan 0.000 0.443 366 K N -1.163 119.263 120.400 0.042 0.000 2.860 366 K HA 0.440 4.790 4.320 0.050 0.000 0.204 366 K C 0.243 176.849 176.600 0.011 0.000 1.127 366 K CA 0.354 56.654 56.287 0.022 0.000 1.050 366 K CB -0.420 32.088 32.500 0.013 0.000 0.745 366 K HN 0.305 nan 8.250 nan 0.000 0.459 367 G N -0.186 108.625 108.800 0.017 0.000 2.522 367 G HA2 0.231 4.221 3.960 0.050 0.000 0.304 367 G HA3 0.231 4.221 3.960 0.050 0.000 0.304 367 G C -0.387 174.481 174.900 -0.053 0.000 1.210 367 G CA -0.597 44.511 45.100 0.013 0.000 0.960 367 G HN 0.109 nan 8.290 nan 0.000 0.497 368 D N -1.123 119.203 120.400 -0.122 0.000 2.348 368 D HA 0.037 4.707 4.640 0.050 0.000 0.211 368 D C -0.182 175.683 176.300 -0.725 0.000 0.998 368 D CA 0.960 54.702 54.000 -0.429 0.000 0.873 368 D CB 0.327 40.774 40.800 -0.589 0.000 0.925 368 D HN 0.365 nan 8.370 nan 0.000 0.524 369 Y N -0.209 120.102 120.300 0.019 0.000 2.517 369 Y HA 0.207 4.787 4.550 0.050 0.000 0.330 369 Y C -1.632 174.282 175.900 0.023 0.000 0.917 369 Y CA -1.714 56.398 58.100 0.020 0.000 1.131 369 Y CB 1.058 39.529 38.460 0.019 0.000 1.175 369 Y HN -0.096 nan 8.280 nan 0.000 0.620 370 P HA -0.199 nan 4.420 nan 0.000 0.215 370 P C 1.453 178.802 177.300 0.082 0.000 1.157 370 P CA 1.323 64.469 63.100 0.077 0.000 0.868 370 P CB 0.686 32.412 31.700 0.043 0.000 0.788 371 L N -0.023 121.248 121.223 0.080 0.000 2.017 371 L HA -0.142 4.228 4.340 0.050 0.000 0.208 371 L C 2.609 179.528 176.870 0.083 0.000 1.073 371 L CA 1.903 56.786 54.840 0.071 0.000 0.745 371 L CB -1.851 40.246 42.059 0.063 0.000 0.894 371 L HN -0.103 nan 8.230 nan 0.000 0.432 372 E N -0.431 119.840 120.200 0.118 0.000 2.085 372 E HA -0.202 4.178 4.350 0.050 0.000 0.194 372 E C 2.301 178.947 176.600 0.078 0.000 0.994 372 E CA 1.413 57.872 56.400 0.097 0.000 0.801 372 E CB -0.524 29.241 29.700 0.110 0.000 0.743 372 E HN 0.463 nan 8.360 nan 0.000 0.453 373 A N 0.596 123.472 122.820 0.093 0.000 1.883 373 A HA -0.181 4.169 4.320 0.050 0.000 0.217 373 A C 2.508 180.132 177.584 0.067 0.000 1.186 373 A CA 1.983 54.065 52.037 0.075 0.000 0.624 373 A CB -1.103 17.947 19.000 0.084 0.000 0.822 373 A HN 0.272 nan 8.150 nan 0.000 0.444 374 V N -0.548 119.405 119.914 0.066 0.000 2.427 374 V HA -0.229 3.921 4.120 0.050 0.000 0.248 374 V C 2.206 178.351 176.094 0.085 0.000 1.051 374 V CA 2.280 64.618 62.300 0.063 0.000 1.048 374 V CB -0.856 30.993 31.823 0.043 0.000 0.666 374 V HN 0.567 nan 8.190 nan 0.000 0.456 375 R N -0.756 119.790 120.500 0.077 0.000 2.096 375 R HA -0.100 4.270 4.340 0.050 0.000 0.235 375 R C 2.292 178.671 176.300 0.131 0.000 1.127 375 R CA 1.997 58.156 56.100 0.099 0.000 0.968 375 R CB -0.561 29.779 30.300 0.067 0.000 0.861 375 R HN 0.551 nan 8.270 nan 0.000 0.440 376 M N 1.132 120.783 119.600 0.086 0.000 2.099 376 M HA -0.153 4.357 4.480 0.050 0.000 0.262 376 M C 1.933 178.271 176.300 0.063 0.000 1.067 376 M CA 1.751 57.089 55.300 0.063 0.000 1.124 376 M CB -0.192 32.430 32.600 0.038 0.000 1.353 376 M HN 0.030 nan 8.290 nan 0.000 0.410 377 Q N -1.407 118.436 119.800 0.071 0.000 2.135 377 Q HA -0.263 4.107 4.340 0.050 0.000 0.204 377 Q C 2.157 178.199 176.000 0.070 0.000 0.981 377 Q CA 2.061 57.900 55.803 0.060 0.000 0.856 377 Q CB -0.584 28.191 28.738 0.062 0.000 0.902 377 Q HN 0.741 nan 8.270 nan 0.000 0.425 378 H N 0.308 119.396 119.070 0.029 0.000 2.353 378 H HA -0.141 4.446 4.556 0.051 0.000 0.300 378 H C 1.751 177.101 175.328 0.037 0.000 1.090 378 H CA 1.377 57.447 56.048 0.037 0.000 1.327 378 H CB 0.006 29.791 29.762 0.039 0.000 1.383 378 H HN 0.069 nan 8.280 nan 0.000 0.508 379 L N 0.288 121.492 121.223 -0.031 0.000 2.005 379 L HA -0.097 4.273 4.340 0.050 0.000 0.207 379 L C 2.535 179.359 176.870 -0.077 0.000 1.072 379 L CA 1.486 56.284 54.840 -0.070 0.000 0.744 379 L CB -0.817 41.258 42.059 0.026 0.000 0.895 379 L HN 0.425 nan 8.230 nan 0.000 0.433 380 I N -0.917 119.633 120.570 -0.033 0.000 2.208 380 I HA -0.341 3.859 4.170 0.050 0.000 0.245 380 I C 2.599 178.694 176.117 -0.036 0.000 1.097 380 I CA 1.162 62.447 61.300 -0.025 0.000 1.363 380 I CB -0.723 37.273 38.000 -0.007 0.000 1.051 380 I HN 0.245 nan 8.210 nan 0.000 0.413 381 A N 1.350 124.141 122.820 -0.049 0.000 1.859 381 A HA -0.257 4.093 4.320 0.050 0.000 0.217 381 A C 2.444 179.998 177.584 -0.051 0.000 1.198 381 A CA 1.963 53.976 52.037 -0.040 0.000 0.629 381 A CB -0.763 18.215 19.000 -0.036 0.000 0.830 381 A HN 0.328 nan 8.150 nan 0.000 0.446 382 R N -1.041 119.389 120.500 -0.116 0.000 2.091 382 R HA -0.181 4.189 4.340 0.050 0.000 0.238 382 R C 2.287 178.567 176.300 -0.032 0.000 1.136 382 R CA 1.617 57.666 56.100 -0.085 0.000 0.959 382 R CB -0.341 29.873 30.300 -0.143 0.000 0.856 382 R HN 0.628 nan 8.270 nan 0.000 0.437 383 E N 0.689 120.867 120.200 -0.037 0.000 2.058 383 E HA -0.160 4.220 4.350 0.050 0.000 0.194 383 E C 1.827 178.429 176.600 0.003 0.000 0.997 383 E CA 1.793 58.185 56.400 -0.013 0.000 0.801 383 E CB -0.168 29.521 29.700 -0.018 0.000 0.746 383 E HN 0.359 nan 8.360 nan 0.000 0.450 384 A N 0.303 123.124 122.820 0.003 0.000 1.968 384 A HA -0.131 4.219 4.320 0.050 0.000 0.217 384 A C 1.947 179.554 177.584 0.038 0.000 1.169 384 A CA 1.409 53.456 52.037 0.015 0.000 0.638 384 A CB -0.461 18.546 19.000 0.011 0.000 0.812 384 A HN 0.294 nan 8.150 nan 0.000 0.446 385 E N -0.112 120.116 120.200 0.047 0.000 2.153 385 E HA -0.109 4.272 4.350 0.050 0.000 0.194 385 E C 2.139 178.832 176.600 0.155 0.000 0.988 385 E CA 0.936 57.389 56.400 0.090 0.000 0.811 385 E CB -0.216 29.532 29.700 0.080 0.000 0.746 385 E HN 0.642 nan 8.360 nan 0.000 0.466 386 A N 1.114 124.009 122.820 0.125 0.000 1.970 386 A HA 0.121 4.471 4.320 0.050 0.000 0.216 386 A C 2.218 179.902 177.584 0.166 0.000 1.170 386 A CA 1.005 53.145 52.037 0.172 0.000 0.645 386 A CB -0.162 18.897 19.000 0.097 0.000 0.816 386 A HN 0.238 nan 8.150 nan 0.000 0.447 387 A N -0.752 122.122 122.820 0.090 0.000 2.252 387 A HA 0.371 4.721 4.320 0.050 0.000 0.207 387 A C 1.006 178.669 177.584 0.131 0.000 1.194 387 A CA -0.009 52.066 52.037 0.064 0.000 0.809 387 A CB -0.632 18.366 19.000 -0.003 0.000 0.814 387 A HN 0.560 nan 8.150 nan 0.000 0.482 388 M N -1.361 118.260 119.600 0.036 0.000 2.202 388 M HA 0.241 4.751 4.480 0.050 0.000 0.316 388 M C -0.203 175.987 176.300 -0.184 0.000 1.138 388 M CA 0.022 55.243 55.300 -0.131 0.000 1.151 388 M CB 0.430 32.765 32.600 -0.443 0.000 1.422 388 M HN 0.291 nan 8.290 nan 0.000 0.471 389 F N 2.135 121.780 119.950 -0.508 0.000 2.344 389 F HA 0.281 4.832 4.527 0.040 0.000 0.344 389 F C 1.023 176.535 175.800 -0.480 0.000 1.140 389 F CA -0.760 56.767 58.000 -0.789 0.000 1.256 389 F CB -0.623 37.711 39.000 -1.110 0.000 1.573 389 F HN 0.551 nan 8.300 nan 0.000 0.547 390 H N 1.255 120.255 119.070 -0.115 0.000 2.289 390 H HA -0.158 4.428 4.556 0.050 0.000 0.296 390 H C 2.289 177.392 175.328 -0.375 0.000 1.091 390 H CA 1.504 57.454 56.048 -0.164 0.000 1.274 390 H CB 0.092 29.754 29.762 -0.167 0.000 1.364 390 H HN 0.367 nan 8.280 nan 0.000 0.490 391 R N 1.502 121.730 120.500 -0.453 0.000 2.112 391 R HA -0.173 4.197 4.340 0.050 0.000 0.242 391 R C 2.287 178.304 176.300 -0.472 0.000 1.137 391 R CA 1.801 57.591 56.100 -0.517 0.000 0.944 391 R CB -0.330 29.661 30.300 -0.516 0.000 0.857 391 R HN 0.165 nan 8.270 nan 0.000 0.435 392 K N 0.286 120.135 120.400 -0.919 0.000 2.025 392 K HA -0.112 4.238 4.320 0.050 0.000 0.207 392 K C 2.050 178.519 176.600 -0.219 0.000 1.049 392 K CA 1.022 56.904 56.287 -0.675 0.000 0.933 392 K CB -0.644 31.168 32.500 -1.148 0.000 0.714 392 K HN 0.093 nan 8.250 nan 0.000 0.438 393 L N 0.100 121.228 121.223 -0.159 0.000 1.989 393 L HA -0.111 4.259 4.340 0.050 0.000 0.211 393 L C 1.992 178.932 176.870 0.117 0.000 1.071 393 L CA 1.752 56.611 54.840 0.033 0.000 0.749 393 L CB -0.905 41.191 42.059 0.061 0.000 0.890 393 L HN 0.260 nan 8.230 nan 0.000 0.431 394 F N 0.870 120.850 119.950 0.050 0.000 2.065 394 F HA -0.285 4.268 4.527 0.043 0.000 0.298 394 F C 2.379 178.235 175.800 0.093 0.000 1.112 394 F CA 2.321 60.414 58.000 0.155 0.000 1.212 394 F CB -0.434 38.714 39.000 0.247 0.000 0.975 394 F HN 0.288 nan 8.300 nan 0.000 0.476 395 E N -0.180 120.087 120.200 0.111 0.000 2.097 395 E HA -0.268 4.112 4.350 0.050 0.000 0.196 395 E C 2.061 178.616 176.600 -0.075 0.000 1.000 395 E CA 1.789 58.185 56.400 -0.007 0.000 0.804 395 E CB -0.396 29.313 29.700 0.016 0.000 0.740 395 E HN 0.638 nan 8.360 nan 0.000 0.454 396 E N 0.143 120.322 120.200 -0.035 0.000 2.208 396 E HA -0.119 4.261 4.350 0.050 0.000 0.193 396 E C 1.988 178.569 176.600 -0.032 0.000 0.988 396 E CA 0.296 56.684 56.400 -0.020 0.000 0.828 396 E CB 0.151 29.862 29.700 0.019 0.000 0.763 396 E HN 0.122 nan 8.360 nan 0.000 0.478 397 L N 0.627 121.825 121.223 -0.043 0.000 2.044 397 L HA -0.032 4.339 4.340 0.050 0.000 0.205 397 L C 2.437 179.308 176.870 0.001 0.000 1.075 397 L CA 1.513 56.349 54.840 -0.007 0.000 0.747 397 L CB -1.412 40.675 42.059 0.047 0.000 0.903 397 L HN 0.047 nan 8.230 nan 0.000 0.435 398 A N -0.457 122.262 122.820 -0.168 0.000 1.940 398 A HA -0.217 4.133 4.320 0.050 0.000 0.219 398 A C 2.349 179.877 177.584 -0.094 0.000 1.176 398 A CA 1.225 53.137 52.037 -0.208 0.000 0.631 398 A CB -0.358 18.377 19.000 -0.441 0.000 0.814 398 A HN 0.295 nan 8.150 nan 0.000 0.446 399 R N -0.486 119.967 120.500 -0.079 0.000 2.073 399 R HA -0.095 4.275 4.340 0.050 0.000 0.234 399 R C 2.365 178.641 176.300 -0.040 0.000 1.134 399 R CA 1.431 57.500 56.100 -0.052 0.000 0.952 399 R CB -1.114 29.162 30.300 -0.040 0.000 0.850 399 R HN 0.520 nan 8.270 nan 0.000 0.433 400 A N 0.789 123.594 122.820 -0.025 0.000 2.125 400 A HA -0.034 4.316 4.320 0.050 0.000 0.219 400 A C 0.732 178.311 177.584 -0.008 0.000 1.156 400 A CA 0.818 52.845 52.037 -0.017 0.000 0.671 400 A CB 0.012 19.006 19.000 -0.011 0.000 0.794 400 A HN 0.149 nan 8.150 nan 0.000 0.459 401 S N 1.866 117.572 115.700 0.009 0.000 2.475 401 S HA 0.362 4.862 4.470 0.050 0.000 0.249 401 S C -2.326 172.263 174.600 -0.018 0.000 1.298 401 S CA -1.207 57.011 58.200 0.031 0.000 1.125 401 S CB 0.784 64.067 63.200 0.139 0.000 1.054 401 S HN 0.407 nan 8.310 nan 0.000 0.484 402 P HA -0.070 nan 4.420 nan 0.000 0.277 402 P C 0.456 177.708 177.300 -0.081 0.000 1.269 402 P CA 0.123 63.141 63.100 -0.137 0.000 0.840 402 P CB 0.343 31.916 31.700 -0.211 0.000 1.156 403 H N -3.420 115.641 119.070 -0.016 0.000 2.556 403 H HA 0.110 4.696 4.556 0.050 0.000 0.268 403 H C 0.434 175.753 175.328 -0.016 0.000 0.996 403 H CA -0.326 55.711 56.048 -0.019 0.000 1.157 403 H CB -1.598 28.154 29.762 -0.016 0.000 1.355 403 H HN 0.204 nan 8.280 nan 0.000 0.597 404 S N 0.844 116.636 115.700 0.152 0.000 2.525 404 S HA 0.230 4.730 4.470 0.050 0.000 0.285 404 S C 0.062 174.701 174.600 0.065 0.000 1.283 404 S CA -0.248 58.026 58.200 0.123 0.000 1.072 404 S CB 0.575 63.796 63.200 0.036 0.000 0.867 404 S HN 0.460 nan 8.310 nan 0.000 0.492 405 T N 1.215 115.797 114.554 0.048 0.000 2.885 405 T HA 0.466 4.846 4.350 0.050 0.000 0.285 405 T C 0.519 175.209 174.700 -0.017 0.000 1.019 405 T CA -0.456 61.650 62.100 0.011 0.000 1.010 405 T CB 1.794 70.664 68.868 0.004 0.000 1.022 405 T HN 0.716 nan 8.240 nan 0.000 0.466 406 D N 0.538 120.911 120.400 -0.045 0.000 2.414 406 D HA 0.199 4.869 4.640 0.050 0.000 0.237 406 D C 1.136 177.346 176.300 -0.150 0.000 0.975 406 D CA 0.063 54.012 54.000 -0.085 0.000 0.917 406 D CB 0.141 40.887 40.800 -0.089 0.000 1.061 406 D HN 0.390 nan 8.370 nan 0.000 0.480 407 L N -2.582 118.539 121.223 -0.169 0.000 1.643 407 L HA -0.083 4.287 4.340 0.050 0.000 0.501 407 L C 1.176 177.871 176.870 -0.291 0.000 0.746 407 L CA 1.199 55.914 54.840 -0.209 0.000 2.833 407 L CB -1.457 40.451 42.059 -0.251 0.000 0.947 407 L HN 0.186 nan 8.230 nan 0.000 0.663 408 M N 1.265 120.548 119.600 -0.528 0.000 2.296 408 M HA -0.046 4.464 4.480 0.050 0.000 0.265 408 M C 1.775 178.047 176.300 -0.047 0.000 1.064 408 M CA 2.402 57.487 55.300 -0.359 0.000 1.109 408 M CB -0.367 31.999 32.600 -0.390 0.000 1.396 408 M HN 0.448 nan 8.290 nan 0.000 0.430 409 E N -0.825 119.357 120.200 -0.031 0.000 2.358 409 E HA -0.014 4.366 4.350 0.050 0.000 0.195 409 E C 1.770 178.360 176.600 -0.017 0.000 1.010 409 E CA 0.878 57.323 56.400 0.074 0.000 0.856 409 E CB -0.499 29.301 29.700 0.165 0.000 0.795 409 E HN 0.530 nan 8.360 nan 0.000 0.504 410 A N 1.983 124.789 122.820 -0.024 0.000 1.855 410 A HA -0.119 4.231 4.320 0.050 0.000 0.215 410 A C 2.308 179.894 177.584 0.003 0.000 1.191 410 A CA 1.433 53.455 52.037 -0.025 0.000 0.613 410 A CB -0.363 18.636 19.000 -0.001 0.000 0.829 410 A HN 0.158 nan 8.150 nan 0.000 0.442 411 M N -0.111 119.524 119.600 0.059 0.000 2.106 411 M HA -0.180 4.330 4.480 0.050 0.000 0.259 411 M C 2.496 178.834 176.300 0.064 0.000 1.068 411 M CA 1.717 57.072 55.300 0.091 0.000 1.100 411 M CB -1.663 31.052 32.600 0.191 0.000 1.351 411 M HN 0.502 nan 8.290 nan 0.000 0.404 412 A N 0.157 123.022 122.820 0.075 0.000 1.845 412 A HA -0.182 4.168 4.320 0.050 0.000 0.215 412 A C 2.279 179.886 177.584 0.038 0.000 1.195 412 A CA 1.915 54.015 52.037 0.106 0.000 0.616 412 A CB -0.710 18.438 19.000 0.246 0.000 0.832 412 A HN 0.476 nan 8.150 nan 0.000 0.443 413 M N -0.547 118.974 119.600 -0.132 0.000 2.106 413 M HA -0.153 4.357 4.480 0.050 0.000 0.259 413 M C 2.254 178.590 176.300 0.060 0.000 1.068 413 M CA 1.538 56.772 55.300 -0.110 0.000 1.100 413 M CB -0.601 31.783 32.600 -0.360 0.000 1.351 413 M HN 0.556 nan 8.290 nan 0.000 0.404 414 G N -0.893 107.909 108.800 0.003 0.000 2.402 414 G HA2 -0.165 3.825 3.960 0.050 0.000 0.216 414 G HA3 -0.165 3.825 3.960 0.050 0.000 0.216 414 G C 1.576 176.450 174.900 -0.043 0.000 1.162 414 G CA 1.064 46.162 45.100 -0.003 0.000 0.777 414 G HN 0.437 nan 8.290 nan 0.000 0.539 415 S N 0.014 115.693 115.700 -0.036 0.000 2.355 415 S HA -0.090 4.410 4.470 0.050 0.000 0.222 415 S C 2.502 177.010 174.600 -0.153 0.000 1.031 415 S CA 1.093 59.254 58.200 -0.064 0.000 0.993 415 S CB -0.274 62.914 63.200 -0.020 0.000 0.859 415 S HN 0.166 nan 8.310 nan 0.000 0.453 416 V N 1.860 121.669 119.914 -0.176 0.000 2.343 416 V HA -0.174 3.976 4.120 0.050 0.000 0.247 416 V C 2.582 178.223 176.094 -0.756 0.000 1.051 416 V CA 2.067 64.116 62.300 -0.418 0.000 1.036 416 V CB -0.691 30.995 31.823 -0.229 0.000 0.654 416 V HN 0.410 nan 8.190 nan 0.000 0.451 417 E N 1.021 120.887 120.200 -0.557 0.000 2.038 417 E HA -0.225 4.155 4.350 0.050 0.000 0.195 417 E C 2.143 178.601 176.600 -0.236 0.000 1.000 417 E CA 1.954 58.094 56.400 -0.434 0.000 0.803 417 E CB -0.617 28.951 29.700 -0.219 0.000 0.750 417 E HN 0.490 nan 8.360 nan 0.000 0.448 418 A N 0.239 122.950 122.820 -0.181 0.000 1.940 418 A HA -0.226 4.124 4.320 0.050 0.000 0.219 418 A C 2.399 179.903 177.584 -0.133 0.000 1.176 418 A CA 2.557 54.524 52.037 -0.117 0.000 0.631 418 A CB -1.065 17.881 19.000 -0.090 0.000 0.814 418 A HN 0.462 nan 8.150 nan 0.000 0.446 419 S N -1.567 114.002 115.700 -0.217 0.000 2.423 419 S HA -0.155 4.345 4.470 0.050 0.000 0.231 419 S C 1.827 176.342 174.600 -0.142 0.000 1.014 419 S CA 1.292 59.370 58.200 -0.203 0.000 0.965 419 S CB -0.699 62.340 63.200 -0.268 0.000 0.785 419 S HN 0.521 nan 8.310 nan 0.000 0.495 420 Y N 1.928 122.126 120.300 -0.170 0.000 2.163 420 Y HA 0.180 4.764 4.550 0.056 0.000 0.288 420 Y C 2.667 178.494 175.900 -0.122 0.000 1.136 420 Y CA 0.460 58.457 58.100 -0.171 0.000 1.147 420 Y CB -0.602 37.717 38.460 -0.234 0.000 0.987 420 Y HN 0.129 nan 8.280 nan 0.000 0.509 421 K N 0.390 120.825 120.400 0.058 0.000 2.032 421 K HA -0.147 4.204 4.320 0.050 0.000 0.209 421 K C 1.857 178.455 176.600 -0.002 0.000 1.048 421 K CA 1.664 57.958 56.287 0.012 0.000 0.927 421 K CB -0.849 31.645 32.500 -0.010 0.000 0.712 421 K HN 0.508 nan 8.250 nan 0.000 0.441 422 C N 0.141 119.431 119.300 -0.017 0.000 2.688 422 C HA 0.455 4.945 4.460 0.050 0.000 0.297 422 C C 0.827 175.804 174.990 -0.022 0.000 1.308 422 C CA -0.822 58.183 59.018 -0.022 0.000 1.726 422 C CB -1.510 26.209 27.740 -0.035 0.000 1.982 422 C HN 0.425 nan 8.230 nan 0.000 0.604 423 L N 0.634 121.851 121.223 -0.010 0.000 3.854 423 L HA -0.249 4.121 4.340 0.050 0.000 0.460 423 L C 1.201 178.054 176.870 -0.027 0.000 1.228 423 L CA 0.399 55.234 54.840 -0.008 0.000 0.760 423 L CB -2.189 39.872 42.059 0.003 0.000 1.597 423 L HN 0.728 nan 8.230 nan 0.000 0.852 424 A N 0.205 122.993 122.820 -0.052 0.000 2.555 424 A HA 0.406 4.757 4.320 0.050 0.000 0.233 424 A C 1.478 179.029 177.584 -0.054 0.000 1.060 424 A CA 0.762 52.756 52.037 -0.072 0.000 0.759 424 A CB 0.519 19.460 19.000 -0.098 0.000 0.995 424 A HN 0.713 nan 8.150 nan 0.000 0.506 425 A N 1.400 124.184 122.820 -0.060 0.000 2.016 425 A HA 0.480 4.830 4.320 0.050 0.000 0.217 425 A C 1.138 178.761 177.584 0.065 0.000 1.162 425 A CA 1.873 53.928 52.037 0.029 0.000 0.662 425 A CB -0.432 18.611 19.000 0.071 0.000 0.812 425 A HN 2.496 nan 8.150 nan 0.000 0.450 426 A N -2.270 120.534 122.820 -0.027 0.000 2.515 426 A HA 0.587 4.937 4.320 0.050 0.000 0.292 426 A C -2.075 175.486 177.584 -0.038 0.000 1.065 426 A CA -0.615 51.432 52.037 0.016 0.000 0.641 426 A CB 0.156 19.284 19.000 0.213 0.000 1.306 426 A HN 0.345 nan 8.150 nan 0.000 0.441 427 L N 1.052 122.274 121.223 -0.003 0.000 2.343 427 L HA 0.559 4.929 4.340 0.050 0.000 0.278 427 L C -0.531 176.355 176.870 0.027 0.000 0.996 427 L CA 0.118 54.951 54.840 -0.013 0.000 0.831 427 L CB 1.442 43.489 42.059 -0.018 0.000 1.232 427 L HN 0.577 nan 8.230 nan 0.000 0.413 428 I N 3.885 124.463 120.570 0.014 0.000 2.342 428 I HA 0.425 4.625 4.170 0.050 0.000 0.291 428 I C -0.536 175.597 176.117 0.026 0.000 1.010 428 I CA -0.649 60.673 61.300 0.037 0.000 1.308 428 I CB 1.293 39.307 38.000 0.022 0.000 1.400 428 I HN 0.212 nan 8.210 nan 0.000 0.488 429 V N 7.494 127.430 119.914 0.037 0.000 2.531 429 V HA 0.381 4.531 4.120 0.050 0.000 0.301 429 V C -0.088 176.017 176.094 0.018 0.000 1.034 429 V CA -0.607 61.709 62.300 0.026 0.000 0.865 429 V CB 2.040 33.878 31.823 0.025 0.000 0.995 429 V HN 0.487 nan 8.190 nan 0.000 0.424 430 L N 4.218 125.449 121.223 0.012 0.000 2.264 430 L HA 0.740 5.110 4.340 0.050 0.000 0.289 430 L C 0.147 177.031 176.870 0.023 0.000 1.044 430 L CA 0.240 55.083 54.840 0.005 0.000 0.807 430 L CB 1.527 43.572 42.059 -0.022 0.000 1.192 430 L HN 0.791 nan 8.230 nan 0.000 0.425 431 T N 0.882 115.444 114.554 0.012 0.000 2.885 431 T HA 0.293 4.673 4.350 0.050 0.000 0.322 431 T C -0.032 174.672 174.700 0.006 0.000 1.387 431 T CA -0.414 61.691 62.100 0.007 0.000 1.041 431 T CB 1.903 70.740 68.868 -0.051 0.000 1.287 431 T HN 0.602 nan 8.240 nan 0.000 0.491 432 E N 1.013 121.223 120.200 0.017 0.000 2.288 432 E HA 0.087 4.467 4.350 0.050 0.000 0.200 432 E C 2.134 178.741 176.600 0.012 0.000 0.880 432 E CA 1.151 57.567 56.400 0.027 0.000 0.971 432 E CB -0.228 29.504 29.700 0.052 0.000 0.954 432 E HN 0.661 nan 8.360 nan 0.000 0.489 433 S N -0.437 115.262 115.700 -0.002 0.000 2.470 433 S HA 0.133 4.633 4.470 0.050 0.000 0.225 433 S C 1.725 176.276 174.600 -0.082 0.000 1.006 433 S CA 1.135 59.332 58.200 -0.005 0.000 0.934 433 S CB 0.247 63.453 63.200 0.010 0.000 0.778 433 S HN 0.324 nan 8.310 nan 0.000 0.517 434 G N 1.818 110.503 108.800 -0.191 0.000 2.241 434 G HA2 -0.328 3.662 3.960 0.050 0.000 0.244 434 G HA3 -0.328 3.662 3.960 0.050 0.000 0.244 434 G C 1.033 175.363 174.900 -0.950 0.000 0.998 434 G CA 0.317 45.126 45.100 -0.484 0.000 0.621 434 G HN 0.489 nan 8.290 nan 0.000 0.519 435 R N 0.825 120.999 120.500 -0.543 0.000 2.136 435 R HA -0.158 4.213 4.340 0.050 0.000 0.242 435 R C 2.795 178.953 176.300 -0.236 0.000 1.131 435 R CA 2.206 58.109 56.100 -0.329 0.000 0.937 435 R CB -0.811 29.450 30.300 -0.064 0.000 0.863 435 R HN 0.421 nan 8.270 nan 0.000 0.435 436 S N 0.288 115.920 115.700 -0.113 0.000 2.380 436 S HA -0.229 4.271 4.470 0.050 0.000 0.229 436 S C 2.035 176.610 174.600 -0.041 0.000 1.043 436 S CA 1.469 59.664 58.200 -0.008 0.000 1.038 436 S CB -0.281 62.958 63.200 0.064 0.000 0.872 436 S HN 0.559 nan 8.310 nan 0.000 0.456 437 A N 1.504 124.239 122.820 -0.141 0.000 1.898 437 A HA -0.122 4.229 4.320 0.050 0.000 0.216 437 A C 1.798 179.347 177.584 -0.058 0.000 1.181 437 A CA 1.408 53.393 52.037 -0.086 0.000 0.620 437 A CB -0.875 18.063 19.000 -0.103 0.000 0.819 437 A HN 0.508 nan 8.150 nan 0.000 0.442 438 H N 0.284 119.210 119.070 -0.239 0.000 2.319 438 H HA -0.155 4.431 4.556 0.050 0.000 0.297 438 H C 2.231 177.494 175.328 -0.110 0.000 1.097 438 H CA 1.790 57.603 56.048 -0.391 0.000 1.285 438 H CB -0.523 28.933 29.762 -0.511 0.000 1.368 438 H HN 0.493 nan 8.280 nan 0.000 0.495 439 Q N 0.246 120.096 119.800 0.085 0.000 2.096 439 Q HA -0.093 4.277 4.340 0.050 0.000 0.204 439 Q C 2.691 178.797 176.000 0.178 0.000 0.982 439 Q CA 1.105 56.978 55.803 0.118 0.000 0.850 439 Q CB -0.617 28.199 28.738 0.130 0.000 0.901 439 Q HN 0.319 nan 8.270 nan 0.000 0.422 440 V N 1.177 121.181 119.914 0.149 0.000 2.343 440 V HA -0.242 3.908 4.120 0.050 0.000 0.247 440 V C 2.393 178.585 176.094 0.164 0.000 1.051 440 V CA 1.715 64.117 62.300 0.170 0.000 1.036 440 V CB -1.031 30.852 31.823 0.100 0.000 0.654 440 V HN 0.332 nan 8.190 nan 0.000 0.451 441 A N 0.084 122.981 122.820 0.128 0.000 1.930 441 A HA -0.240 4.110 4.320 0.050 0.000 0.217 441 A C 2.403 180.057 177.584 0.116 0.000 1.175 441 A CA 1.866 53.988 52.037 0.141 0.000 0.627 441 A CB -0.591 18.519 19.000 0.183 0.000 0.815 441 A HN 0.497 nan 8.150 nan 0.000 0.443 442 R N -1.485 119.042 120.500 0.045 0.000 2.103 442 R HA -0.205 4.165 4.340 0.050 0.000 0.242 442 R C 0.941 177.102 176.300 -0.230 0.000 1.142 442 R CA 1.988 58.006 56.100 -0.136 0.000 0.960 442 R CB -0.404 29.705 30.300 -0.319 0.000 0.858 442 R HN 0.544 nan 8.270 nan 0.000 0.439 443 Y N 1.308 121.691 120.300 0.139 0.000 2.465 443 Y HA 0.197 4.774 4.550 0.046 0.000 0.311 443 Y C 0.024 176.099 175.900 0.292 0.000 1.204 443 Y CA -0.054 58.164 58.100 0.198 0.000 1.272 443 Y CB 0.039 38.644 38.460 0.242 0.000 1.083 443 Y HN -0.017 nan 8.280 nan 0.000 0.508 444 R N 0.135 120.805 120.500 0.282 0.000 2.939 444 R HA -0.171 4.199 4.340 0.050 0.000 0.255 444 R C -2.855 173.628 176.300 0.305 0.000 0.882 444 R CA 0.222 56.493 56.100 0.286 0.000 0.658 444 R CB -1.702 28.778 30.300 0.300 0.000 1.447 444 R HN 0.301 nan 8.270 nan 0.000 0.506 445 P HA 0.081 nan 4.420 nan 0.000 0.276 445 P C 0.486 177.797 177.300 0.019 0.000 1.261 445 P CA -0.432 62.630 63.100 -0.063 0.000 0.800 445 P CB 0.698 32.309 31.700 -0.148 0.000 1.066 446 R N 0.927 121.362 120.500 -0.108 0.000 2.080 446 R HA 0.110 4.480 4.340 0.050 0.000 0.222 446 R C 0.859 177.107 176.300 -0.086 0.000 1.107 446 R CA 0.525 56.496 56.100 -0.214 0.000 0.980 446 R CB -0.482 29.582 30.300 -0.393 0.000 0.879 446 R HN 0.569 nan 8.270 nan 0.000 0.439 447 A N 2.546 125.312 122.820 -0.091 0.000 2.332 447 A HA 0.366 4.716 4.320 0.050 0.000 0.258 447 A C -2.251 175.294 177.584 -0.066 0.000 1.087 447 A CA -1.546 50.445 52.037 -0.077 0.000 0.802 447 A CB 0.045 19.004 19.000 -0.068 0.000 1.042 447 A HN 0.304 nan 8.150 nan 0.000 0.489 448 P HA 0.154 nan 4.420 nan 0.000 0.268 448 P C -0.842 176.459 177.300 0.002 0.000 1.205 448 P CA 0.405 63.441 63.100 -0.107 0.000 0.771 448 P CB 0.467 31.933 31.700 -0.390 0.000 0.858 449 I N 4.482 125.094 120.570 0.069 0.000 2.282 449 I HA 0.248 4.448 4.170 0.050 0.000 0.290 449 I C 0.792 177.008 176.117 0.165 0.000 1.090 449 I CA -0.592 60.767 61.300 0.098 0.000 1.231 449 I CB 0.188 38.245 38.000 0.094 0.000 1.434 449 I HN 0.133 nan 8.210 nan 0.000 0.487 450 I N 6.148 126.823 120.570 0.174 0.000 2.347 450 I HA 0.247 4.447 4.170 0.050 0.000 0.294 450 I C 0.672 176.885 176.117 0.160 0.000 1.090 450 I CA -0.052 61.388 61.300 0.234 0.000 1.314 450 I CB 0.709 38.852 38.000 0.238 0.000 1.423 450 I HN 0.563 nan 8.210 nan 0.000 0.503 451 A N 7.406 130.315 122.820 0.149 0.000 2.253 451 A HA 0.594 4.944 4.320 0.050 0.000 0.316 451 A C -0.335 177.286 177.584 0.061 0.000 1.327 451 A CA -0.447 51.635 52.037 0.074 0.000 0.917 451 A CB 0.616 19.636 19.000 0.033 0.000 1.162 451 A HN 0.466 nan 8.150 nan 0.000 0.535 452 V N 2.677 122.618 119.914 0.045 0.000 2.407 452 V HA 0.663 4.813 4.120 0.050 0.000 0.278 452 V C 0.572 176.672 176.094 0.009 0.000 1.037 452 V CA -0.014 62.304 62.300 0.031 0.000 0.900 452 V CB 1.137 32.974 31.823 0.024 0.000 0.983 452 V HN 0.955 nan 8.190 nan 0.000 0.459 453 T N 4.168 118.722 114.554 0.001 0.000 2.883 453 T HA 0.444 4.824 4.350 0.050 0.000 0.301 453 T C 0.430 175.126 174.700 -0.006 0.000 1.158 453 T CA -0.631 61.470 62.100 0.001 0.000 1.007 453 T CB 1.816 70.683 68.868 -0.001 0.000 1.186 453 T HN 0.642 nan 8.240 nan 0.000 0.499 454 R N 1.271 121.785 120.500 0.022 0.000 2.362 454 R HA 0.224 4.595 4.340 0.050 0.000 0.227 454 R C 0.386 176.754 176.300 0.113 0.000 0.905 454 R CA -0.231 55.897 56.100 0.047 0.000 1.067 454 R CB 0.248 30.588 30.300 0.067 0.000 1.078 454 R HN 0.363 nan 8.270 nan 0.000 0.516 455 N N 1.123 119.876 118.700 0.088 0.000 2.602 455 N HA -0.017 4.754 4.740 0.050 0.000 0.238 455 N C 0.292 175.888 175.510 0.143 0.000 1.084 455 N CA 0.133 53.262 53.050 0.131 0.000 0.952 455 N CB 0.471 39.008 38.487 0.084 0.000 1.244 455 N HN 0.124 nan 8.380 nan 0.000 0.512 456 H N 1.399 120.500 119.070 0.051 0.000 2.400 456 H HA -0.225 4.361 4.556 0.050 0.000 0.295 456 H C 1.809 177.178 175.328 0.068 0.000 1.118 456 H CA 2.334 58.424 56.048 0.069 0.000 1.256 456 H CB 0.259 30.061 29.762 0.066 0.000 1.365 456 H HN 0.661 nan 8.280 nan 0.000 0.502 457 Q N 0.162 120.068 119.800 0.178 0.000 2.049 457 Q HA -0.144 4.226 4.340 0.050 0.000 0.198 457 Q C 2.268 178.330 176.000 0.103 0.000 0.971 457 Q CA 2.124 58.000 55.803 0.121 0.000 0.833 457 Q CB -0.014 28.781 28.738 0.094 0.000 0.896 457 Q HN 0.614 nan 8.270 nan 0.000 0.434 458 T N -1.819 112.792 114.554 0.094 0.000 2.929 458 T HA -0.030 4.350 4.350 0.050 0.000 0.271 458 T C 1.745 176.487 174.700 0.069 0.000 1.085 458 T CA 1.015 63.171 62.100 0.093 0.000 1.125 458 T CB -0.370 68.536 68.868 0.064 0.000 0.874 458 T HN 0.375 nan 8.240 nan 0.000 0.494 459 A N 1.888 124.731 122.820 0.038 0.000 1.872 459 A HA 0.085 4.435 4.320 0.050 0.000 0.214 459 A C 2.607 180.164 177.584 -0.044 0.000 1.187 459 A CA 1.197 53.219 52.037 -0.025 0.000 0.614 459 A CB -0.655 18.324 19.000 -0.036 0.000 0.826 459 A HN 0.477 nan 8.150 nan 0.000 0.442 460 R N -0.445 120.084 120.500 0.048 0.000 2.091 460 R HA -0.157 4.213 4.340 0.050 0.000 0.238 460 R C 2.443 178.838 176.300 0.157 0.000 1.136 460 R CA 1.858 58.030 56.100 0.120 0.000 0.959 460 R CB -0.293 30.081 30.300 0.124 0.000 0.856 460 R HN 0.693 nan 8.270 nan 0.000 0.437 461 Q N -0.481 119.399 119.800 0.134 0.000 2.224 461 Q HA -0.036 4.334 4.340 0.050 0.000 0.203 461 Q C 2.044 178.184 176.000 0.233 0.000 0.970 461 Q CA 1.006 56.914 55.803 0.174 0.000 0.865 461 Q CB 0.001 28.845 28.738 0.176 0.000 0.922 461 Q HN 0.339 nan 8.270 nan 0.000 0.445 462 A N 0.839 123.762 122.820 0.171 0.000 2.032 462 A HA -0.246 4.104 4.320 0.050 0.000 0.221 462 A C 1.369 179.074 177.584 0.201 0.000 1.165 462 A CA 1.628 53.785 52.037 0.200 0.000 0.645 462 A CB -0.775 18.232 19.000 0.011 0.000 0.807 462 A HN 0.440 nan 8.150 nan 0.000 0.453 463 H N -0.638 118.516 119.070 0.141 0.000 2.489 463 H HA -0.013 4.573 4.556 0.050 0.000 0.295 463 H C 1.689 177.064 175.328 0.079 0.000 1.082 463 H CA 1.228 57.327 56.048 0.085 0.000 1.295 463 H CB -0.196 29.582 29.762 0.027 0.000 1.380 463 H HN 0.421 nan 8.280 nan 0.000 0.548 464 L N -0.061 121.264 121.223 0.169 0.000 2.353 464 L HA -0.146 4.224 4.340 0.050 0.000 0.220 464 L C -0.097 176.622 176.870 -0.253 0.000 1.133 464 L CA 0.608 55.401 54.840 -0.078 0.000 0.798 464 L CB -0.088 41.833 42.059 -0.231 0.000 0.922 464 L HN 0.295 nan 8.230 nan 0.000 0.445 465 Y N -0.566 119.755 120.300 0.034 0.000 2.328 465 Y HA 0.353 4.932 4.550 0.049 0.000 0.337 465 Y C 0.642 176.580 175.900 0.064 0.000 1.008 465 Y CA -1.248 56.870 58.100 0.029 0.000 1.129 465 Y CB 0.686 39.167 38.460 0.035 0.000 1.185 465 Y HN -0.105 nan 8.280 nan 0.000 0.476 466 R N 1.895 122.497 120.500 0.170 0.000 2.504 466 R HA 0.231 4.601 4.340 0.050 0.000 0.291 466 R C 1.189 177.589 176.300 0.166 0.000 0.974 466 R CA 1.311 57.496 56.100 0.142 0.000 1.077 466 R CB -0.545 29.823 30.300 0.112 0.000 0.926 466 R HN 0.983 nan 8.270 nan 0.000 0.407 467 G N 3.953 112.845 108.800 0.153 0.000 2.267 467 G HA2 -0.304 3.686 3.960 0.050 0.000 0.257 467 G HA3 -0.304 3.686 3.960 0.050 0.000 0.257 467 G C 0.284 175.282 174.900 0.163 0.000 0.998 467 G CA 0.234 45.419 45.100 0.142 0.000 0.620 467 G HN 0.591 nan 8.290 nan 0.000 0.529 468 I N 1.226 121.903 120.570 0.179 0.000 2.436 468 I HA 0.354 4.554 4.170 0.050 0.000 0.289 468 I C 0.045 176.260 176.117 0.163 0.000 1.083 468 I CA -0.435 60.962 61.300 0.162 0.000 1.372 468 I CB 0.470 38.554 38.000 0.139 0.000 1.408 468 I HN 0.107 nan 8.210 nan 0.000 0.516 469 F N 10.469 130.455 119.950 0.060 0.000 2.303 469 F HA 0.419 4.976 4.527 0.049 0.000 0.368 469 F C -1.955 173.857 175.800 0.019 0.000 1.105 469 F CA -2.761 55.283 58.000 0.074 0.000 1.153 469 F CB 0.548 39.659 39.000 0.185 0.000 1.362 469 F HN 0.281 nan 8.300 nan 0.000 0.511 470 P HA 0.059 nan 4.420 nan 0.000 0.268 470 P C -1.100 176.164 177.300 -0.060 0.000 1.205 470 P CA 0.108 63.112 63.100 -0.161 0.000 0.771 470 P CB 1.867 33.355 31.700 -0.352 0.000 0.858 471 V N 4.390 124.327 119.914 0.037 0.000 2.488 471 V HA 0.097 4.247 4.120 0.050 0.000 0.293 471 V C 0.189 176.307 176.094 0.038 0.000 1.027 471 V CA -0.794 61.558 62.300 0.087 0.000 0.862 471 V CB 2.193 34.106 31.823 0.151 0.000 1.008 471 V HN 0.265 nan 8.190 nan 0.000 0.428 472 V N 4.145 124.083 119.914 0.041 0.000 2.455 472 V HA 0.166 4.316 4.120 0.050 0.000 0.273 472 V C 0.491 176.559 176.094 -0.043 0.000 1.045 472 V CA -0.205 62.059 62.300 -0.060 0.000 0.976 472 V CB 1.194 32.920 31.823 -0.161 0.000 0.993 472 V HN 1.000 nan 8.190 nan 0.000 0.475 473 C N 6.599 125.870 119.300 -0.048 0.000 2.325 473 C HA 0.394 4.884 4.460 0.050 0.000 0.347 473 C C 1.380 176.365 174.990 -0.009 0.000 1.263 473 C CA -0.555 58.454 59.018 -0.016 0.000 1.806 473 C CB -0.294 27.442 27.740 -0.007 0.000 2.405 473 C HN 1.028 nan 8.230 nan 0.000 0.537 474 K N 2.396 122.797 120.400 0.002 0.000 2.361 474 K HA 0.111 4.461 4.320 0.050 0.000 0.194 474 K C 0.302 176.918 176.600 0.026 0.000 1.032 474 K CA 0.020 56.326 56.287 0.031 0.000 1.048 474 K CB 0.150 32.662 32.500 0.019 0.000 0.842 474 K HN 0.736 nan 8.250 nan 0.000 0.526 475 D N 3.201 123.608 120.400 0.012 0.000 2.443 475 D HA 0.015 4.686 4.640 0.050 0.000 0.239 475 D C -2.151 174.157 176.300 0.012 0.000 1.136 475 D CA -0.697 53.306 54.000 0.006 0.000 0.879 475 D CB 0.686 41.483 40.800 -0.005 0.000 1.195 475 D HN 0.066 nan 8.370 nan 0.000 0.443 476 P HA 0.001 nan 4.420 nan 0.000 0.274 476 P C -0.084 177.225 177.300 0.014 0.000 1.231 476 P CA -0.529 62.581 63.100 0.016 0.000 0.790 476 P CB 0.892 32.600 31.700 0.013 0.000 0.951 477 V N 2.272 122.201 119.914 0.025 0.000 2.493 477 V HA -0.041 4.109 4.120 0.050 0.000 0.292 477 V C 0.427 176.536 176.094 0.026 0.000 1.016 477 V CA 0.293 62.612 62.300 0.033 0.000 1.097 477 V CB -0.430 31.429 31.823 0.061 0.000 0.947 477 V HN 0.471 nan 8.190 nan 0.000 0.479 478 Q N 4.911 124.718 119.800 0.011 0.000 2.454 478 Q HA 0.171 4.541 4.340 0.050 0.000 0.247 478 Q C 1.220 177.238 176.000 0.030 0.000 1.028 478 Q CA 0.349 56.155 55.803 0.006 0.000 0.910 478 Q CB 0.759 29.483 28.738 -0.023 0.000 1.276 478 Q HN 0.839 nan 8.270 nan 0.000 0.489 479 E N 0.845 121.058 120.200 0.022 0.000 2.023 479 E HA -0.113 4.267 4.350 0.050 0.000 0.196 479 E C -0.187 176.442 176.600 0.049 0.000 1.003 479 E CA 1.307 57.725 56.400 0.030 0.000 0.809 479 E CB -0.329 29.381 29.700 0.015 0.000 0.755 479 E HN 0.622 nan 8.360 nan 0.000 0.449 480 A N 1.804 124.644 122.820 0.034 0.000 2.354 480 A HA 0.033 4.384 4.320 0.050 0.000 0.281 480 A C 0.811 178.441 177.584 0.077 0.000 1.174 480 A CA -0.404 51.662 52.037 0.047 0.000 0.828 480 A CB -0.263 18.741 19.000 0.006 0.000 1.099 480 A HN 0.512 nan 8.150 nan 0.000 0.516 481 W N 3.113 124.364 121.300 -0.081 0.000 2.325 481 W HA -0.289 4.400 4.660 0.049 0.000 0.299 481 W C 1.579 178.031 176.519 -0.112 0.000 1.215 481 W CA 2.008 59.296 57.345 -0.095 0.000 1.244 481 W CB -0.075 29.314 29.460 -0.119 0.000 1.140 481 W HN 0.782 nan 8.180 nan 0.000 0.523 482 A N 0.689 123.426 122.820 -0.137 0.000 1.902 482 A HA -0.237 4.113 4.320 0.050 0.000 0.217 482 A C 1.831 179.265 177.584 -0.249 0.000 1.181 482 A CA 1.907 53.791 52.037 -0.256 0.000 0.623 482 A CB -0.947 17.965 19.000 -0.146 0.000 0.818 482 A HN 0.466 nan 8.150 nan 0.000 0.443 483 E N -0.782 119.322 120.200 -0.160 0.000 2.107 483 E HA -0.180 4.200 4.350 0.050 0.000 0.191 483 E C 1.629 178.128 176.600 -0.168 0.000 0.982 483 E CA 1.001 57.322 56.400 -0.132 0.000 0.809 483 E CB -0.148 29.506 29.700 -0.077 0.000 0.756 483 E HN 0.619 nan 8.360 nan 0.000 0.459 484 D N -0.030 120.250 120.400 -0.199 0.000 2.178 484 D HA -0.124 4.546 4.640 0.050 0.000 0.201 484 D C 1.764 177.863 176.300 -0.335 0.000 0.980 484 D CA 0.609 54.478 54.000 -0.219 0.000 0.842 484 D CB 0.246 40.940 40.800 -0.177 0.000 0.948 484 D HN -0.048 nan 8.370 nan 0.000 0.472 485 V N 0.511 120.123 119.914 -0.503 0.000 2.302 485 V HA -0.148 4.002 4.120 0.050 0.000 0.243 485 V C 1.855 177.783 176.094 -0.277 0.000 1.036 485 V CA 1.700 63.701 62.300 -0.499 0.000 1.020 485 V CB -0.463 30.968 31.823 -0.654 0.000 0.657 485 V HN 0.165 nan 8.190 nan 0.000 0.453 486 D N 0.008 120.270 120.400 -0.229 0.000 2.221 486 D HA -0.165 4.505 4.640 0.050 0.000 0.204 486 D C 1.994 178.228 176.300 -0.110 0.000 0.982 486 D CA 1.132 55.046 54.000 -0.143 0.000 0.857 486 D CB -0.066 40.664 40.800 -0.117 0.000 0.934 486 D HN 0.408 nan 8.370 nan 0.000 0.475 487 L N 0.491 121.642 121.223 -0.121 0.000 2.005 487 L HA -0.137 4.234 4.340 0.050 0.000 0.207 487 L C 2.294 179.123 176.870 -0.069 0.000 1.072 487 L CA 1.242 56.032 54.840 -0.083 0.000 0.744 487 L CB 0.027 42.036 42.059 -0.083 0.000 0.895 487 L HN -0.166 nan 8.230 nan 0.000 0.433 488 R N -0.889 119.556 120.500 -0.092 0.000 2.148 488 R HA -0.091 4.280 4.340 0.050 0.000 0.227 488 R C 2.005 178.278 176.300 -0.044 0.000 1.103 488 R CA 1.231 57.292 56.100 -0.065 0.000 0.983 488 R CB -0.357 29.890 30.300 -0.088 0.000 0.874 488 R HN 0.296 nan 8.270 nan 0.000 0.451 489 V N 0.939 120.814 119.914 -0.064 0.000 2.407 489 V HA -0.184 3.966 4.120 0.050 0.000 0.245 489 V C 1.466 177.555 176.094 -0.009 0.000 1.041 489 V CA 1.817 64.094 62.300 -0.038 0.000 1.040 489 V CB -0.505 31.281 31.823 -0.063 0.000 0.671 489 V HN 0.384 nan 8.190 nan 0.000 0.455 490 N N 0.161 118.849 118.700 -0.019 0.000 2.223 490 N HA -0.168 4.602 4.740 0.050 0.000 0.185 490 N C 1.743 177.264 175.510 0.019 0.000 1.016 490 N CA 0.997 54.047 53.050 0.000 0.000 0.863 490 N CB -0.153 38.326 38.487 -0.014 0.000 0.983 490 N HN 0.333 nan 8.380 nan 0.000 0.429 491 L N 1.353 122.582 121.223 0.011 0.000 2.017 491 L HA -0.057 4.313 4.340 0.050 0.000 0.208 491 L C 2.158 179.055 176.870 0.045 0.000 1.073 491 L CA 1.508 56.361 54.840 0.021 0.000 0.745 491 L CB -0.898 41.170 42.059 0.015 0.000 0.894 491 L HN 0.081 nan 8.230 nan 0.000 0.432 492 A N -0.650 122.206 122.820 0.061 0.000 1.902 492 A HA -0.219 4.131 4.320 0.050 0.000 0.217 492 A C 2.247 179.931 177.584 0.166 0.000 1.181 492 A CA 2.137 54.238 52.037 0.107 0.000 0.623 492 A CB -0.566 18.497 19.000 0.105 0.000 0.818 492 A HN 0.513 nan 8.150 nan 0.000 0.443 493 M N -0.201 119.494 119.600 0.158 0.000 2.108 493 M HA -0.185 4.325 4.480 0.050 0.000 0.261 493 M C 1.845 178.257 176.300 0.186 0.000 1.066 493 M CA 1.717 57.167 55.300 0.251 0.000 1.107 493 M CB -1.626 31.052 32.600 0.130 0.000 1.356 493 M HN 0.580 nan 8.290 nan 0.000 0.406 494 N N -0.315 118.426 118.700 0.069 0.000 2.106 494 N HA -0.118 4.652 4.740 0.050 0.000 0.188 494 N C 1.768 177.229 175.510 -0.082 0.000 1.029 494 N CA 0.952 54.002 53.050 -0.000 0.000 0.848 494 N CB 0.051 38.539 38.487 0.000 0.000 1.007 494 N HN 0.043 nan 8.380 nan 0.000 0.423 495 V N 1.027 120.898 119.914 -0.072 0.000 2.282 495 V HA -0.228 3.923 4.120 0.050 0.000 0.249 495 V C 2.410 178.256 176.094 -0.412 0.000 1.057 495 V CA 2.184 64.389 62.300 -0.158 0.000 1.032 495 V CB -1.207 30.585 31.823 -0.051 0.000 0.645 495 V HN 0.459 nan 8.190 nan 0.000 0.447 496 G N -0.482 108.064 108.800 -0.423 0.000 2.446 496 G HA2 -0.274 3.716 3.960 0.050 0.000 0.217 496 G HA3 -0.274 3.716 3.960 0.050 0.000 0.217 496 G C 1.654 175.903 174.900 -1.084 0.000 1.168 496 G CA 1.021 45.527 45.100 -0.990 0.000 0.771 496 G HN 0.483 nan 8.290 nan 0.000 0.551 497 K N 0.554 120.575 120.400 -0.631 0.000 2.063 497 K HA 0.017 4.368 4.320 0.050 0.000 0.208 497 K C 2.944 179.348 176.600 -0.327 0.000 1.048 497 K CA 1.026 57.096 56.287 -0.361 0.000 0.928 497 K CB -0.227 32.206 32.500 -0.112 0.000 0.713 497 K HN 0.282 nan 8.250 nan 0.000 0.442 498 A N 1.224 123.851 122.820 -0.321 0.000 1.877 498 A HA -0.143 4.207 4.320 0.050 0.000 0.216 498 A C 1.990 179.367 177.584 -0.344 0.000 1.186 498 A CA 1.406 53.286 52.037 -0.261 0.000 0.620 498 A CB -0.281 18.598 19.000 -0.201 0.000 0.822 498 A HN 0.094 nan 8.150 nan 0.000 0.443 499 R N -1.152 118.987 120.500 -0.602 0.000 2.323 499 R HA 0.189 4.559 4.340 0.050 0.000 0.198 499 R C 1.213 177.184 176.300 -0.549 0.000 0.988 499 R CA 0.814 56.464 56.100 -0.752 0.000 1.041 499 R CB -0.421 28.921 30.300 -1.596 0.000 0.926 499 R HN 0.821 nan 8.270 nan 0.000 0.476 500 G N -0.618 107.936 108.800 -0.410 0.000 2.147 500 G HA2 -0.263 3.727 3.960 0.050 0.000 0.244 500 G HA3 -0.263 3.727 3.960 0.050 0.000 0.244 500 G C 0.482 175.389 174.900 0.010 0.000 1.005 500 G CA 0.194 45.199 45.100 -0.158 0.000 0.713 500 G HN 0.258 nan 8.290 nan 0.000 0.515 501 F N -0.290 119.432 119.950 -0.380 0.000 2.293 501 F HA 0.381 4.939 4.527 0.052 0.000 0.297 501 F C 1.327 177.042 175.800 -0.141 0.000 1.089 501 F CA 0.560 58.364 58.000 -0.326 0.000 1.377 501 F CB -0.493 38.199 39.000 -0.514 0.000 1.051 501 F HN 0.445 nan 8.300 nan 0.000 0.511 502 F N -1.426 118.603 119.950 0.132 0.000 2.725 502 F HA 0.506 5.063 4.527 0.050 0.000 0.309 502 F C -0.930 174.883 175.800 0.023 0.000 1.132 502 F CA -2.358 55.679 58.000 0.062 0.000 0.957 502 F CB 0.639 39.671 39.000 0.053 0.000 1.286 502 F HN -0.188 nan 8.300 nan 0.000 0.440 503 K N 0.664 121.231 120.400 0.278 0.000 2.280 503 K HA 0.488 4.838 4.320 0.050 0.000 0.234 503 K C -0.726 175.972 176.600 0.165 0.000 1.028 503 K CA -1.269 55.119 56.287 0.167 0.000 0.882 503 K CB 1.626 34.178 32.500 0.087 0.000 1.194 503 K HN 0.667 nan 8.250 nan 0.000 0.458 504 K N 0.419 120.881 120.400 0.103 0.000 2.466 504 K HA -0.057 4.293 4.320 0.050 0.000 0.278 504 K C 0.425 177.052 176.600 0.044 0.000 1.048 504 K CA 1.682 58.009 56.287 0.068 0.000 1.088 504 K CB -0.259 32.267 32.500 0.043 0.000 0.884 504 K HN 0.964 nan 8.250 nan 0.000 0.478 505 G N 3.716 112.530 108.800 0.022 0.000 2.253 505 G HA2 -0.179 3.811 3.960 0.050 0.000 0.209 505 G HA3 -0.179 3.811 3.960 0.050 0.000 0.209 505 G C -0.060 174.835 174.900 -0.007 0.000 0.997 505 G CA -0.068 45.035 45.100 0.006 0.000 0.640 505 G HN 0.669 nan 8.290 nan 0.000 0.496 506 D N 0.179 120.577 120.400 -0.003 0.000 2.371 506 D HA 0.497 5.167 4.640 0.050 0.000 0.242 506 D C 0.611 176.849 176.300 -0.103 0.000 1.218 506 D CA 0.190 54.173 54.000 -0.028 0.000 0.945 506 D CB 1.644 42.455 40.800 0.018 0.000 1.137 506 D HN 0.211 nan 8.370 nan 0.000 0.464 507 V N 0.724 120.572 119.914 -0.109 0.000 2.483 507 V HA 0.502 4.652 4.120 0.050 0.000 0.295 507 V C 0.305 176.284 176.094 -0.192 0.000 1.035 507 V CA -0.685 61.535 62.300 -0.133 0.000 0.896 507 V CB 1.542 33.315 31.823 -0.083 0.000 0.986 507 V HN 0.429 nan 8.190 nan 0.000 0.447 508 V N 3.037 122.820 119.914 -0.219 0.000 3.078 508 V HA 0.751 4.901 4.120 0.050 0.000 0.311 508 V C -0.620 175.385 176.094 -0.148 0.000 1.138 508 V CA -0.966 61.197 62.300 -0.229 0.000 1.007 508 V CB 2.115 33.709 31.823 -0.383 0.000 1.045 508 V HN 0.913 nan 8.190 nan 0.000 0.432 509 I N 0.962 121.465 120.570 -0.113 0.000 2.412 509 I HA 0.880 5.080 4.170 0.050 0.000 0.296 509 I C -0.946 175.136 176.117 -0.058 0.000 0.987 509 I CA -0.866 60.388 61.300 -0.078 0.000 1.180 509 I CB 1.962 39.919 38.000 -0.071 0.000 1.340 509 I HN 0.445 nan 8.210 nan 0.000 0.455 510 V N 7.172 127.062 119.914 -0.041 0.000 2.409 510 V HA 0.411 4.561 4.120 0.050 0.000 0.291 510 V C -0.003 176.092 176.094 0.001 0.000 1.020 510 V CA -0.474 61.812 62.300 -0.023 0.000 0.848 510 V CB 1.516 33.321 31.823 -0.031 0.000 0.990 510 V HN 0.607 nan 8.190 nan 0.000 0.430 511 L N 6.027 127.257 121.223 0.012 0.000 2.276 511 L HA 0.654 5.024 4.340 0.050 0.000 0.286 511 L C 0.458 177.351 176.870 0.037 0.000 1.024 511 L CA 0.039 54.899 54.840 0.034 0.000 0.826 511 L CB 1.624 43.709 42.059 0.044 0.000 1.211 511 L HN 0.898 nan 8.230 nan 0.000 0.422 512 T N -0.437 114.148 114.554 0.052 0.000 2.742 512 T HA 0.722 5.102 4.350 0.050 0.000 0.282 512 T C -0.038 174.733 174.700 0.119 0.000 1.025 512 T CA -0.739 61.397 62.100 0.059 0.000 1.020 512 T CB 1.861 70.735 68.868 0.009 0.000 1.317 512 T HN 0.448 nan 8.240 nan 0.000 0.538 513 G N -0.677 108.255 108.800 0.221 0.000 2.372 513 G HA2 0.406 4.396 3.960 0.050 0.000 0.323 513 G HA3 0.406 4.396 3.960 0.050 0.000 0.323 513 G C 0.342 175.513 174.900 0.451 0.000 1.152 513 G CA -0.902 44.363 45.100 0.275 0.000 0.906 513 G HN 0.801 nan 8.290 nan 0.000 0.460 514 W N 3.615 124.972 121.300 0.095 0.000 2.333 514 W HA -0.057 4.634 4.660 0.051 0.000 0.316 514 W C 1.059 177.704 176.519 0.210 0.000 1.215 514 W CA 1.165 58.586 57.345 0.128 0.000 1.278 514 W CB 0.349 29.808 29.460 -0.001 0.000 1.154 514 W HN 0.552 nan 8.180 nan 0.000 0.486 515 R N 0.185 120.683 120.500 -0.004 0.000 2.854 515 R HA 0.285 4.655 4.340 0.050 0.000 0.271 515 R C -1.747 173.857 176.300 -1.160 0.000 0.996 515 R CA -1.395 54.366 56.100 -0.566 0.000 0.961 515 R CB 1.088 31.219 30.300 -0.283 0.000 1.182 515 R HN -0.222 nan 8.270 nan 0.000 0.479 516 P HA -0.180 nan 4.420 nan 0.000 0.218 516 P C 1.003 177.820 177.300 -0.804 0.000 1.146 516 P CA 1.902 63.815 63.100 -1.978 0.000 0.813 516 P CB -0.036 30.949 31.700 -1.192 0.000 0.778 517 G N -0.604 107.887 108.800 -0.516 0.000 2.880 517 G HA2 -0.024 3.966 3.960 0.050 0.000 0.209 517 G HA3 -0.024 3.966 3.960 0.050 0.000 0.209 517 G C 0.514 175.312 174.900 -0.170 0.000 1.157 517 G CA -0.066 44.878 45.100 -0.261 0.000 0.779 517 G HN 0.220 nan 8.290 nan 0.000 0.539 518 S N 0.324 115.907 115.700 -0.195 0.000 2.558 518 S HA 0.290 4.790 4.470 0.050 0.000 0.293 518 S C 1.563 176.128 174.600 -0.059 0.000 1.292 518 S CA 0.185 58.305 58.200 -0.133 0.000 1.063 518 S CB 1.421 64.517 63.200 -0.172 0.000 0.831 518 S HN 0.316 nan 8.310 nan 0.000 0.499 519 G N 1.680 110.509 108.800 0.048 0.000 3.026 519 G HA2 0.392 4.382 3.960 0.050 0.000 0.208 519 G HA3 0.392 4.382 3.960 0.050 0.000 0.208 519 G C -0.003 175.102 174.900 0.342 0.000 1.169 519 G CA -0.019 45.191 45.100 0.183 0.000 0.788 519 G HN 0.685 nan 8.290 nan 0.000 0.533 520 F N -3.808 116.167 119.950 0.043 0.000 3.031 520 F HA 0.429 4.986 4.527 0.050 0.000 0.326 520 F C -0.712 175.132 175.800 0.075 0.000 1.143 520 F CA -1.454 56.574 58.000 0.047 0.000 0.871 520 F CB 0.469 39.489 39.000 0.033 0.000 1.377 520 F HN -0.287 nan 8.300 nan 0.000 0.462 521 T N 2.353 116.986 114.554 0.131 0.000 2.978 521 T HA 0.184 4.564 4.350 0.050 0.000 0.278 521 T C 0.567 175.236 174.700 -0.051 0.000 0.945 521 T CA 0.285 62.403 62.100 0.030 0.000 1.070 521 T CB -0.836 68.106 68.868 0.123 0.000 0.948 521 T HN 0.653 nan 8.240 nan 0.000 0.617 522 N N 1.084 119.561 118.700 -0.372 0.000 2.230 522 N HA 0.043 4.813 4.740 0.050 0.000 0.202 522 N C -0.182 175.295 175.510 -0.055 0.000 1.119 522 N CA -0.430 52.451 53.050 -0.283 0.000 0.851 522 N CB 0.551 38.691 38.487 -0.579 0.000 0.990 522 N HN 0.255 nan 8.380 nan 0.000 0.497 523 T N 1.206 115.774 114.554 0.023 0.000 2.840 523 T HA 0.515 4.895 4.350 0.050 0.000 0.287 523 T C -0.442 174.301 174.700 0.073 0.000 0.991 523 T CA -0.753 61.398 62.100 0.085 0.000 0.964 523 T CB 1.308 70.328 68.868 0.254 0.000 0.954 523 T HN 0.347 nan 8.240 nan 0.000 0.438 524 M N 2.384 122.012 119.600 0.047 0.000 2.602 524 M HA 0.839 5.349 4.480 0.050 0.000 0.312 524 M C -1.030 175.283 176.300 0.022 0.000 1.181 524 M CA -0.543 54.776 55.300 0.031 0.000 0.910 524 M CB 2.274 34.885 32.600 0.017 0.000 1.723 524 M HN 0.347 nan 8.290 nan 0.000 0.459 525 R N 1.306 121.810 120.500 0.007 0.000 2.668 525 R HA 0.708 5.079 4.340 0.050 0.000 0.272 525 R C -1.818 174.467 176.300 -0.025 0.000 1.019 525 R CA -1.015 55.084 56.100 -0.001 0.000 0.894 525 R CB 2.813 33.120 30.300 0.012 0.000 1.228 525 R HN 0.660 nan 8.270 nan 0.000 0.460 526 V N 3.440 123.336 119.914 -0.030 0.000 2.383 526 V HA 0.426 4.576 4.120 0.050 0.000 0.275 526 V C -0.352 175.713 176.094 -0.048 0.000 1.036 526 V CA -0.401 61.871 62.300 -0.047 0.000 0.889 526 V CB 1.455 33.253 31.823 -0.042 0.000 0.985 526 V HN 0.422 nan 8.190 nan 0.000 0.459 527 V N 6.902 126.775 119.914 -0.069 0.000 2.876 527 V HA 0.502 4.652 4.120 0.050 0.000 0.312 527 V C -2.638 173.400 176.094 -0.094 0.000 1.085 527 V CA -2.139 60.118 62.300 -0.070 0.000 0.945 527 V CB 2.547 34.329 31.823 -0.069 0.000 1.017 527 V HN 0.652 nan 8.190 nan 0.000 0.428 528 P HA 0.228 nan 4.420 nan 0.000 0.284 528 P C 0.640 177.884 177.300 -0.093 0.000 1.253 528 P CA -0.043 63.011 63.100 -0.077 0.000 0.800 528 P CB 1.523 33.195 31.700 -0.045 0.000 0.961 529 V N 4.127 123.970 119.914 -0.118 0.000 2.358 529 V HA 0.007 4.157 4.120 0.050 0.000 0.246 529 V C -1.467 174.618 176.094 -0.015 0.000 1.047 529 V CA 1.075 63.309 62.300 -0.110 0.000 1.035 529 V CB -1.877 29.856 31.823 -0.151 0.000 0.658 529 V HN 0.584 nan 8.190 nan 0.000 0.452 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.109 63.100 0.015 0.000 0.800 530 P CB 0.000 31.701 31.700 0.001 0.000 0.726