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 3b40_1_A DATA FIRST_RESID 38 DATA SEQUENCE YPRKVMQHAE ELHERILSFD SRITVPLDFG TTGNEVDKDG PGQLDLVKAG DATA SEQUENCE RGRLSGAALA IFGWPEMWXX XXXPHKPTPG FVDEARHQQE IRYKILTGMV DATA SEQUENCE RDFPNQVGIA YSPEDFRRLA MEGKFAIVMS MLNAYPLGDD LSQLDKWAAR DATA SEQUENCE GVRMFGFSYV GNNDWADSSR PLPFFNDSPD ALGGLSPLGK QAVERLNDLG DATA SEQUENCE VIIDVSQMST KALEQVAALS RAPIVASHSA PRALVDIKRN LSDHEMQLIK DATA SEQUENCE DSGGVIQVVG FPAYLRPLSK PTLDKLDALR ARFDLPPLEG LDYALMPGDP DATA SEQUENCE IITIWPEQRF GEYASALYGI LEEEPKAGLK ELVDAIDYTV KKVGIDHVGI DATA SEQUENCE SSDFNDGGGV DGWKDVSEIR NVTAELITRG YSDADIAKLW GGNFLRAWGE DATA SEQUENCE VQKRA 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 38 Y HA 0.000 nan 4.550 nan 0.000 0.201 38 Y C 0.000 175.918 175.900 0.031 0.000 1.272 38 Y CA 0.000 58.118 58.100 0.030 0.000 1.940 38 Y CB 0.000 38.480 38.460 0.033 0.000 1.050 39 P HA 0.208 nan 4.420 nan 0.000 0.267 39 P C 0.498 177.872 177.300 0.123 0.000 1.201 39 P CA -0.168 63.002 63.100 0.117 0.000 0.775 39 P CB 0.869 32.633 31.700 0.106 0.000 0.854 40 R N 1.445 121.997 120.500 0.086 0.000 2.120 40 R HA -0.168 4.172 4.340 -0.000 0.000 0.234 40 R C 2.132 178.479 176.300 0.078 0.000 1.123 40 R CA 1.779 57.924 56.100 0.076 0.000 0.975 40 R CB -0.253 30.079 30.300 0.054 0.000 0.866 40 R HN 0.598 nan 8.270 nan 0.000 0.446 41 K N 0.081 120.527 120.400 0.075 0.000 2.063 41 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 41 K C 1.775 178.442 176.600 0.112 0.000 1.048 41 K CA 1.739 58.071 56.287 0.075 0.000 0.928 41 K CB -0.395 32.141 32.500 0.060 0.000 0.713 41 K HN -0.040 nan 8.250 nan 0.000 0.442 42 V N 1.117 121.106 119.914 0.125 0.000 2.323 42 V HA -0.188 3.932 4.120 -0.000 0.000 0.244 42 V C 2.482 178.624 176.094 0.080 0.000 1.041 42 V CA 1.825 64.204 62.300 0.131 0.000 1.025 42 V CB -0.424 31.476 31.823 0.128 0.000 0.656 42 V HN 0.335 nan 8.190 nan 0.000 0.451 43 M N -0.353 119.292 119.600 0.075 0.000 2.159 43 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 43 M C 2.114 178.447 176.300 0.056 0.000 1.063 43 M CA 1.660 56.985 55.300 0.041 0.000 1.110 43 M CB -0.630 32.010 32.600 0.066 0.000 1.374 43 M HN 0.206 nan 8.290 nan 0.000 0.411 44 Q N -1.057 118.791 119.800 0.080 0.000 2.084 44 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 44 Q C 2.252 178.331 176.000 0.131 0.000 0.978 44 Q CA 2.007 57.860 55.803 0.084 0.000 0.844 44 Q CB -0.906 27.875 28.738 0.071 0.000 0.898 44 Q HN 0.754 nan 8.270 nan 0.000 0.426 45 H N -0.112 118.969 119.070 0.019 0.000 2.352 45 H HA -0.114 4.442 4.556 -0.000 0.000 0.299 45 H C 1.812 177.152 175.328 0.019 0.000 1.097 45 H CA 1.118 57.175 56.048 0.016 0.000 1.311 45 H CB 0.360 30.131 29.762 0.015 0.000 1.377 45 H HN 0.265 nan 8.280 nan 0.000 0.504 46 A N 0.978 123.797 122.820 -0.002 0.000 1.877 46 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 46 A C 2.205 179.845 177.584 0.093 0.000 1.186 46 A CA 1.822 53.844 52.037 -0.026 0.000 0.620 46 A CB -0.475 18.501 19.000 -0.040 0.000 0.822 46 A HN 0.632 nan 8.150 nan 0.000 0.443 47 E N -0.416 119.828 120.200 0.074 0.000 2.077 47 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 47 E C 2.035 178.682 176.600 0.079 0.000 0.989 47 E CA 1.093 57.538 56.400 0.074 0.000 0.800 47 E CB -0.143 29.583 29.700 0.044 0.000 0.746 47 E HN 0.503 nan 8.360 nan 0.000 0.452 48 E N 0.690 120.938 120.200 0.081 0.000 2.085 48 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 48 E C 2.161 178.793 176.600 0.053 0.000 0.994 48 E CA 0.694 57.138 56.400 0.074 0.000 0.801 48 E CB -0.221 29.536 29.700 0.095 0.000 0.743 48 E HN 0.165 nan 8.360 nan 0.000 0.453 49 L N 0.859 122.102 121.223 0.033 0.000 2.056 49 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 49 L C 2.096 178.870 176.870 -0.159 0.000 1.078 49 L CA 1.721 56.518 54.840 -0.072 0.000 0.749 49 L CB -0.428 41.536 42.059 -0.157 0.000 0.901 49 L HN 0.160 nan 8.230 nan 0.000 0.433 50 H N -0.522 118.517 119.070 -0.052 0.000 2.555 50 H HA 0.013 4.569 4.556 -0.000 0.000 0.269 50 H C 1.671 176.968 175.328 -0.051 0.000 0.988 50 H CA 0.813 56.811 56.048 -0.083 0.000 1.178 50 H CB 0.242 29.922 29.762 -0.136 0.000 1.373 50 H HN 0.570 nan 8.280 nan 0.000 0.588 51 E N 0.444 120.680 120.200 0.060 0.000 2.268 51 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 51 E C 1.730 178.342 176.600 0.020 0.000 0.995 51 E CA 0.571 56.992 56.400 0.035 0.000 0.836 51 E CB 0.326 30.044 29.700 0.030 0.000 0.763 51 E HN 0.398 nan 8.360 nan 0.000 0.491 52 R N -0.227 120.275 120.500 0.002 0.000 2.276 52 R HA 0.226 4.566 4.340 -0.000 0.000 0.195 52 R C 1.044 177.339 176.300 -0.007 0.000 0.908 52 R CA -0.060 56.039 56.100 -0.001 0.000 1.083 52 R CB 0.435 30.734 30.300 -0.002 0.000 1.182 52 R HN 0.079 nan 8.270 nan 0.000 0.608 53 I N -0.450 120.092 120.570 -0.047 0.000 2.677 53 I HA 0.348 4.518 4.170 -0.000 0.000 0.305 53 I C -0.287 175.837 176.117 0.012 0.000 0.988 53 I CA -0.856 60.422 61.300 -0.037 0.000 1.260 53 I CB 0.995 38.932 38.000 -0.105 0.000 1.410 53 I HN -0.176 nan 8.210 nan 0.000 0.523 54 L N 3.884 125.153 121.223 0.077 0.000 2.395 54 L HA 0.435 4.775 4.340 -0.000 0.000 0.269 54 L C 0.177 177.148 176.870 0.168 0.000 1.133 54 L CA -0.271 54.666 54.840 0.161 0.000 0.812 54 L CB 1.329 43.545 42.059 0.262 0.000 1.125 54 L HN 0.876 nan 8.230 nan 0.000 0.452 55 S N 1.649 117.456 115.700 0.179 0.000 2.536 55 S HA 0.752 5.222 4.470 -0.000 0.000 0.287 55 S C -1.028 173.784 174.600 0.353 0.000 1.101 55 S CA -0.731 57.532 58.200 0.104 0.000 0.950 55 S CB 2.300 65.253 63.200 -0.413 0.000 1.056 55 S HN 0.428 nan 8.310 nan 0.000 0.481 56 F N 1.848 121.978 119.950 0.300 0.000 2.588 56 F HA 0.571 5.098 4.527 -0.000 0.000 0.314 56 F C -1.864 174.093 175.800 0.261 0.000 1.134 56 F CA -0.801 57.318 58.000 0.199 0.000 0.961 56 F CB 1.868 40.824 39.000 -0.074 0.000 1.239 56 F HN 0.727 nan 8.300 nan 0.000 0.448 57 D N 3.059 123.114 120.400 -0.575 0.000 2.440 57 D HA 0.217 4.857 4.640 -0.000 0.000 0.239 57 D C 0.368 176.072 176.300 -0.992 0.000 1.084 57 D CA -0.132 53.611 54.000 -0.429 0.000 0.843 57 D CB 1.815 42.619 40.800 0.007 0.000 1.097 57 D HN 0.525 nan 8.370 nan 0.000 0.531 58 S N 3.309 118.486 115.700 -0.872 0.000 2.607 58 S HA 0.024 4.494 4.470 -0.000 0.000 0.224 58 S C 0.875 175.233 174.600 -0.402 0.000 0.969 58 S CA -0.241 57.505 58.200 -0.757 0.000 0.927 58 S CB 0.159 63.134 63.200 -0.374 0.000 0.772 58 S HN 0.389 nan 8.310 nan 0.000 0.533 59 R N 0.464 120.750 120.500 -0.357 0.000 2.912 59 R HA 0.530 4.870 4.340 -0.000 0.000 0.278 59 R C -1.995 174.140 176.300 -0.275 0.000 1.533 59 R CA -0.219 55.679 56.100 -0.336 0.000 1.061 59 R CB 0.009 30.039 30.300 -0.451 0.000 1.313 59 R HN 0.360 nan 8.270 nan 0.000 0.443 60 I N 2.553 122.996 120.570 -0.211 0.000 2.498 60 I HA 0.388 4.558 4.170 -0.000 0.000 0.290 60 I C -0.108 175.897 176.117 -0.187 0.000 1.032 60 I CA -1.036 60.176 61.300 -0.147 0.000 1.073 60 I CB 2.634 40.606 38.000 -0.046 0.000 1.251 60 I HN 0.398 nan 8.210 nan 0.000 0.426 61 T N 4.915 119.340 114.554 -0.215 0.000 2.889 61 T HA 0.299 4.649 4.350 -0.000 0.000 0.291 61 T C -0.011 174.536 174.700 -0.254 0.000 0.995 61 T CA -0.357 61.590 62.100 -0.255 0.000 1.092 61 T CB 1.366 70.056 68.868 -0.296 0.000 0.954 61 T HN 0.215 nan 8.240 nan 0.000 0.506 62 V N 6.713 126.505 119.914 -0.204 0.000 2.368 62 V HA 0.248 4.368 4.120 -0.000 0.000 0.266 62 V C -2.081 173.934 176.094 -0.132 0.000 1.045 62 V CA -1.958 60.223 62.300 -0.198 0.000 0.899 62 V CB 0.464 32.269 31.823 -0.029 0.000 1.006 62 V HN 0.720 nan 8.190 nan 0.000 0.470 63 P HA 0.195 nan 4.420 nan 0.000 0.271 63 P C 0.935 178.278 177.300 0.071 0.000 1.216 63 P CA -0.167 62.904 63.100 -0.049 0.000 0.771 63 P CB 0.712 32.375 31.700 -0.062 0.000 0.864 64 L N 1.806 123.080 121.223 0.085 0.000 2.265 64 L HA -0.154 4.186 4.340 -0.000 0.000 0.215 64 L C 1.344 178.289 176.870 0.126 0.000 1.117 64 L CA 1.451 56.362 54.840 0.118 0.000 0.782 64 L CB -0.594 41.537 42.059 0.119 0.000 0.914 64 L HN 0.468 nan 8.230 nan 0.000 0.441 65 D N -1.684 118.790 120.400 0.124 0.000 2.388 65 D HA -0.062 4.578 4.640 -0.000 0.000 0.221 65 D C 0.397 176.795 176.300 0.163 0.000 1.133 65 D CA -0.541 53.528 54.000 0.115 0.000 0.831 65 D CB -0.218 40.631 40.800 0.081 0.000 0.962 65 D HN -0.039 nan 8.370 nan 0.000 0.502 66 F N 1.883 121.837 119.950 0.006 0.000 2.538 66 F HA 0.407 4.934 4.527 -0.000 0.000 0.371 66 F C 1.700 177.503 175.800 0.005 0.000 1.087 66 F CA 1.182 59.176 58.000 -0.010 0.000 1.250 66 F CB 0.700 39.690 39.000 -0.017 0.000 1.110 66 F HN 0.269 nan 8.300 nan 0.000 0.570 67 G N 2.813 111.378 108.800 -0.392 0.000 2.157 67 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.239 67 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.239 67 G C 0.196 175.031 174.900 -0.107 0.000 0.982 67 G CA 0.258 45.173 45.100 -0.309 0.000 0.650 67 G HN 1.089 nan 8.290 nan 0.000 0.527 68 T N -1.853 112.670 114.554 -0.051 0.000 2.923 68 T HA 0.641 4.991 4.350 -0.000 0.000 0.281 68 T C 0.486 175.177 174.700 -0.016 0.000 0.995 68 T CA 0.300 62.392 62.100 -0.014 0.000 0.985 68 T CB 1.477 70.354 68.868 0.015 0.000 1.114 68 T HN 0.416 nan 8.240 nan 0.000 0.548 69 T N 1.320 115.870 114.554 -0.007 0.000 2.871 69 T HA 0.426 4.776 4.350 -0.000 0.000 0.296 69 T C 1.568 176.266 174.700 -0.004 0.000 0.998 69 T CA 0.926 63.021 62.100 -0.007 0.000 1.162 69 T CB -0.176 68.690 68.868 -0.003 0.000 0.947 69 T HN 1.438 nan 8.240 nan 0.000 0.536 70 G N 3.489 112.283 108.800 -0.009 0.000 2.234 70 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.235 70 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.235 70 G C 0.367 175.265 174.900 -0.003 0.000 0.997 70 G CA 0.053 45.149 45.100 -0.006 0.000 0.623 70 G HN 0.728 nan 8.290 nan 0.000 0.514 71 N N 0.982 119.681 118.700 -0.002 0.000 2.636 71 N HA 0.356 5.096 4.740 -0.000 0.000 0.287 71 N C -0.385 175.092 175.510 -0.054 0.000 1.817 71 N CA -0.129 52.935 53.050 0.022 0.000 0.842 71 N CB 0.558 39.096 38.487 0.085 0.000 1.353 71 N HN 0.452 nan 8.380 nan 0.000 0.500 72 E N -0.676 119.464 120.200 -0.100 0.000 2.366 72 E HA 0.035 4.385 4.350 -0.000 0.000 0.266 72 E C 1.579 177.982 176.600 -0.328 0.000 1.051 72 E CA -0.290 55.994 56.400 -0.192 0.000 0.884 72 E CB 1.295 30.932 29.700 -0.106 0.000 1.006 72 E HN 0.154 nan 8.360 nan 0.000 0.417 73 V N -0.286 119.304 119.914 -0.540 0.000 2.719 73 V HA -0.102 4.018 4.120 -0.000 0.000 0.252 73 V C 0.909 176.690 176.094 -0.522 0.000 1.065 73 V CA 1.652 63.544 62.300 -0.679 0.000 1.086 73 V CB -0.302 31.016 31.823 -0.841 0.000 0.700 73 V HN 0.723 nan 8.190 nan 0.000 0.467 74 D N -0.516 119.567 120.400 -0.529 0.000 2.427 74 D HA 0.186 4.826 4.640 -0.000 0.000 0.224 74 D C 0.387 176.555 176.300 -0.219 0.000 1.157 74 D CA -0.099 53.629 54.000 -0.453 0.000 0.828 74 D CB 0.133 40.612 40.800 -0.536 0.000 0.974 74 D HN 0.531 nan 8.370 nan 0.000 0.498 75 K N -0.046 120.247 120.400 -0.178 0.000 2.395 75 K HA 0.203 4.523 4.320 -0.000 0.000 0.247 75 K C -0.986 175.554 176.600 -0.100 0.000 0.973 75 K CA -0.891 55.330 56.287 -0.111 0.000 0.828 75 K CB 1.679 34.131 32.500 -0.080 0.000 1.272 75 K HN -0.241 nan 8.250 nan 0.000 0.439 76 D N 1.579 121.931 120.400 -0.081 0.000 2.545 76 D HA 0.127 4.767 4.640 -0.000 0.000 0.227 76 D C 0.011 176.270 176.300 -0.068 0.000 1.150 76 D CA 0.240 54.193 54.000 -0.078 0.000 1.046 76 D CB -0.210 40.550 40.800 -0.068 0.000 1.098 76 D HN 0.607 nan 8.370 nan 0.000 0.502 77 G N 2.110 110.871 108.800 -0.065 0.000 2.531 77 G HA2 0.260 4.220 3.960 -0.000 0.000 0.281 77 G HA3 0.260 4.220 3.960 -0.000 0.000 0.281 77 G C -1.389 173.475 174.900 -0.060 0.000 1.382 77 G CA -0.693 44.378 45.100 -0.048 0.000 1.045 77 G HN 0.270 nan 8.290 nan 0.000 0.533 78 P HA 0.145 nan 4.420 nan 0.000 0.245 78 P C 0.901 178.145 177.300 -0.094 0.000 1.206 78 P CA 0.492 63.553 63.100 -0.064 0.000 0.781 78 P CB 0.388 32.062 31.700 -0.044 0.000 0.994 79 G N 0.055 108.797 108.800 -0.097 0.000 2.532 79 G HA2 0.178 4.138 3.960 -0.000 0.000 0.291 79 G HA3 0.178 4.138 3.960 -0.000 0.000 0.291 79 G C 0.383 175.138 174.900 -0.241 0.000 1.349 79 G CA -0.274 44.731 45.100 -0.158 0.000 1.038 79 G HN 0.016 nan 8.290 nan 0.000 0.518 80 Q N -1.557 118.043 119.800 -0.334 0.000 2.319 80 Q HA 0.250 4.590 4.340 -0.000 0.000 0.202 80 Q C -0.305 175.395 176.000 -0.501 0.000 0.896 80 Q CA -0.048 55.429 55.803 -0.543 0.000 0.942 80 Q CB 0.486 28.756 28.738 -0.779 0.000 1.083 80 Q HN 0.246 nan 8.270 nan 0.000 0.510 81 L N 0.946 121.969 121.223 -0.333 0.000 2.436 81 L HA 0.414 4.754 4.340 -0.000 0.000 0.268 81 L C -1.827 174.960 176.870 -0.139 0.000 0.974 81 L CA -0.393 54.293 54.840 -0.257 0.000 0.826 81 L CB 1.925 43.835 42.059 -0.248 0.000 1.291 81 L HN 0.048 nan 8.230 nan 0.000 0.406 82 D N 2.293 122.606 120.400 -0.146 0.000 2.692 82 D HA 0.287 4.927 4.640 -0.000 0.000 0.303 82 D C 0.336 176.482 176.300 -0.257 0.000 1.278 82 D CA -0.701 53.236 54.000 -0.105 0.000 0.852 82 D CB 0.627 41.385 40.800 -0.071 0.000 1.375 82 D HN 0.374 nan 8.370 nan 0.000 0.453 83 L N 0.087 121.132 121.223 -0.297 0.000 2.141 83 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 83 L C 2.045 178.789 176.870 -0.209 0.000 1.094 83 L CA 0.548 55.198 54.840 -0.316 0.000 0.763 83 L CB -0.366 41.489 42.059 -0.340 0.000 0.908 83 L HN 0.366 nan 8.230 nan 0.000 0.437 84 V N 0.078 119.888 119.914 -0.173 0.000 2.270 84 V HA -0.276 3.844 4.120 -0.000 0.000 0.245 84 V C 2.458 178.486 176.094 -0.110 0.000 1.043 84 V CA 1.777 64.004 62.300 -0.122 0.000 1.014 84 V CB -0.512 31.247 31.823 -0.105 0.000 0.645 84 V HN 0.410 nan 8.190 nan 0.000 0.447 85 K N 0.374 120.698 120.400 -0.126 0.000 2.057 85 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 85 K C 2.286 178.828 176.600 -0.096 0.000 1.049 85 K CA 1.499 57.718 56.287 -0.113 0.000 0.931 85 K CB -0.421 31.994 32.500 -0.142 0.000 0.714 85 K HN 0.473 nan 8.250 nan 0.000 0.440 86 A N 1.155 123.899 122.820 -0.125 0.000 1.930 86 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 86 A C 2.417 179.984 177.584 -0.028 0.000 1.175 86 A CA 1.740 53.733 52.037 -0.072 0.000 0.627 86 A CB -1.066 17.828 19.000 -0.178 0.000 0.815 86 A HN 0.415 nan 8.150 nan 0.000 0.443 87 G N -0.738 108.030 108.800 -0.052 0.000 2.418 87 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 87 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 87 G C 1.786 176.667 174.900 -0.033 0.000 1.158 87 G CA 0.896 45.978 45.100 -0.029 0.000 0.771 87 G HN 0.501 nan 8.290 nan 0.000 0.545 88 R N -0.131 120.341 120.500 -0.046 0.000 2.073 88 R HA -0.060 4.280 4.340 -0.000 0.000 0.234 88 R C 2.834 179.101 176.300 -0.055 0.000 1.134 88 R CA 1.289 57.362 56.100 -0.045 0.000 0.952 88 R CB -0.502 29.769 30.300 -0.048 0.000 0.850 88 R HN 0.375 nan 8.270 nan 0.000 0.433 89 G N -0.399 108.362 108.800 -0.065 0.000 2.572 89 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.216 89 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.216 89 G C 0.142 174.948 174.900 -0.157 0.000 1.133 89 G CA -0.100 44.934 45.100 -0.110 0.000 0.791 89 G HN 0.218 nan 8.290 nan 0.000 0.538 90 R N -1.970 118.482 120.500 -0.080 0.000 3.774 90 R HA -0.140 4.200 4.340 -0.000 0.000 0.320 90 R C 0.002 176.270 176.300 -0.052 0.000 1.175 90 R CA 0.242 56.312 56.100 -0.050 0.000 0.849 90 R CB -2.593 27.683 30.300 -0.040 0.000 1.365 90 R HN 0.424 nan 8.270 nan 0.000 0.502 91 L N 1.164 122.374 121.223 -0.021 0.000 2.477 91 L HA 0.112 4.452 4.340 -0.000 0.000 0.272 91 L C 1.264 178.229 176.870 0.159 0.000 1.157 91 L CA 0.782 55.651 54.840 0.048 0.000 0.889 91 L CB 1.111 43.276 42.059 0.176 0.000 1.158 91 L HN 0.192 nan 8.230 nan 0.000 0.473 92 S N 2.852 118.612 115.700 0.100 0.000 2.414 92 S HA 0.366 4.836 4.470 -0.000 0.000 0.227 92 S C 0.700 175.141 174.600 -0.265 0.000 1.022 92 S CA 0.579 58.785 58.200 0.011 0.000 0.958 92 S CB -0.112 63.131 63.200 0.072 0.000 0.797 92 S HN 0.967 nan 8.310 nan 0.000 0.493 93 G N -0.534 108.178 108.800 -0.146 0.000 2.441 93 G HA2 0.644 4.604 3.960 -0.000 0.000 0.294 93 G HA3 0.644 4.604 3.960 -0.000 0.000 0.294 93 G C -2.127 172.771 174.900 -0.002 0.000 1.393 93 G CA -0.086 44.648 45.100 -0.611 0.000 0.796 93 G HN 0.520 nan 8.290 nan 0.000 0.494 94 A N -1.435 121.386 122.820 0.002 0.000 2.604 94 A HA 0.945 5.265 4.320 -0.000 0.000 0.295 94 A C -0.441 177.196 177.584 0.088 0.000 1.067 94 A CA 0.199 52.221 52.037 -0.026 0.000 0.683 94 A CB 1.165 20.251 19.000 0.143 0.000 1.281 94 A HN 2.444 nan 8.150 nan 0.000 0.407 95 A N 1.392 124.123 122.820 -0.149 0.000 2.269 95 A HA 0.642 4.962 4.320 -0.000 0.000 0.302 95 A C -0.536 177.024 177.584 -0.040 0.000 1.266 95 A CA -0.143 51.890 52.037 -0.006 0.000 0.894 95 A CB -0.448 18.526 19.000 -0.044 0.000 1.147 95 A HN 0.813 nan 8.150 nan 0.000 0.537 96 L N 2.747 123.989 121.223 0.031 0.000 2.305 96 L HA 0.622 4.962 4.340 -0.000 0.000 0.284 96 L C 0.528 177.410 176.870 0.019 0.000 1.013 96 L CA -0.487 54.361 54.840 0.014 0.000 0.819 96 L CB 1.713 43.815 42.059 0.073 0.000 1.227 96 L HN 0.724 nan 8.230 nan 0.000 0.417 97 A N 4.567 127.371 122.820 -0.027 0.000 2.309 97 A HA 0.581 4.901 4.320 -0.000 0.000 0.298 97 A C -0.041 177.559 177.584 0.026 0.000 1.165 97 A CA -0.602 51.429 52.037 -0.011 0.000 0.821 97 A CB 0.451 19.419 19.000 -0.052 0.000 1.102 97 A HN 0.537 nan 8.150 nan 0.000 0.500 98 I N 2.967 123.540 120.570 0.004 0.000 2.483 98 I HA 0.124 4.294 4.170 -0.000 0.000 0.291 98 I C -0.382 175.706 176.117 -0.049 0.000 1.112 98 I CA 0.546 61.808 61.300 -0.064 0.000 1.350 98 I CB -1.061 36.742 38.000 -0.327 0.000 1.419 98 I HN 0.552 nan 8.210 nan 0.000 0.523 99 F N 5.354 125.215 119.950 -0.149 0.000 2.556 99 F HA 0.788 5.315 4.527 -0.000 0.000 0.314 99 F C 0.024 175.782 175.800 -0.069 0.000 1.106 99 F CA -0.373 57.533 58.000 -0.157 0.000 0.911 99 F CB 2.105 40.972 39.000 -0.222 0.000 1.190 99 F HN 0.428 nan 8.300 nan 0.000 0.448 100 G N 4.155 112.506 108.800 -0.748 0.000 2.660 100 G HA2 0.652 4.612 3.960 -0.000 0.000 0.294 100 G HA3 0.652 4.612 3.960 -0.000 0.000 0.294 100 G C -2.354 172.175 174.900 -0.618 0.000 1.369 100 G CA -0.572 44.228 45.100 -0.499 0.000 0.912 100 G HN 0.916 nan 8.290 nan 0.000 0.479 101 W N -0.100 120.912 121.300 -0.480 0.000 2.923 101 W HA 0.622 5.282 4.660 -0.000 0.000 0.373 101 W C -3.151 173.286 176.519 -0.135 0.000 1.205 101 W CA -2.444 54.717 57.345 -0.307 0.000 1.180 101 W CB 0.555 29.862 29.460 -0.256 0.000 1.477 101 W HN 0.398 nan 8.180 nan 0.000 0.581 102 P HA 0.083 nan 4.420 nan 0.000 0.230 102 P C -0.187 176.718 177.300 -0.658 0.000 1.791 102 P CA 0.082 62.810 63.100 -0.620 0.000 1.020 102 P CB -0.327 30.699 31.700 -1.123 0.000 1.977 103 E N 2.597 122.368 120.200 -0.715 0.000 2.820 103 E HA -0.106 4.244 4.350 -0.000 0.000 0.251 103 E C 1.218 177.820 176.600 0.005 0.000 0.944 103 E CA 0.527 56.714 56.400 -0.356 0.000 0.955 103 E CB 0.395 30.117 29.700 0.037 0.000 0.904 103 E HN 0.238 nan 8.360 nan 0.000 0.513 104 M N 2.854 122.472 119.600 0.030 0.000 2.461 104 M HA 0.211 4.691 4.480 -0.000 0.000 0.255 104 M C -0.227 176.053 176.300 -0.034 0.000 1.137 104 M CA 0.210 55.540 55.300 0.049 0.000 1.086 104 M CB -0.421 32.084 32.600 -0.158 0.000 1.356 104 M HN 0.330 nan 8.290 nan 0.000 0.487 112 H N 0.703 119.849 119.070 0.127 0.000 2.466 112 H HA 0.338 4.894 4.556 -0.000 0.000 0.338 112 H C 0.063 175.506 175.328 0.191 0.000 1.091 112 H CA -0.562 55.611 56.048 0.209 0.000 1.207 112 H CB 2.631 32.552 29.762 0.266 0.000 1.466 112 H HN 0.221 nan 8.280 nan 0.000 0.493 113 K N 3.316 123.693 120.400 -0.039 0.000 2.355 113 K HA 0.133 4.452 4.320 -0.000 0.000 0.270 113 K C -2.333 173.836 176.600 -0.718 0.000 1.003 113 K CA -1.487 54.471 56.287 -0.549 0.000 0.957 113 K CB 0.215 32.311 32.500 -0.675 0.000 0.939 113 K HN 0.315 nan 8.250 nan 0.000 0.482 114 P HA -0.043 nan 4.420 nan 0.000 0.267 114 P C -0.553 176.133 177.300 -1.023 0.000 1.205 114 P CA 0.074 62.215 63.100 -1.598 0.000 0.765 114 P CB 0.686 31.786 31.700 -1.000 0.000 0.828 115 T N 0.600 114.551 114.554 -1.006 0.000 2.919 115 T HA 0.498 4.848 4.350 -0.000 0.000 0.282 115 T C -2.006 172.629 174.700 -0.108 0.000 1.020 115 T CA -2.137 59.771 62.100 -0.319 0.000 0.994 115 T CB 0.851 69.666 68.868 -0.088 0.000 1.180 115 T HN 0.029 nan 8.240 nan 0.000 0.566 116 P HA 0.125 nan 4.420 nan 0.000 0.223 116 P C 1.627 178.957 177.300 0.050 0.000 1.151 116 P CA 0.723 63.819 63.100 -0.006 0.000 0.787 116 P CB -0.403 31.283 31.700 -0.023 0.000 0.788 117 G N -1.672 107.193 108.800 0.108 0.000 2.559 117 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 117 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 117 G C 1.169 176.142 174.900 0.122 0.000 1.126 117 G CA -0.079 45.077 45.100 0.094 0.000 0.778 117 G HN 0.216 nan 8.290 nan 0.000 0.543 118 F N 0.396 120.310 119.950 -0.059 0.000 2.293 118 F HA -0.090 4.437 4.527 -0.000 0.000 0.300 118 F C 2.672 178.476 175.800 0.007 0.000 1.086 118 F CA 0.262 58.244 58.000 -0.030 0.000 1.375 118 F CB 0.142 39.120 39.000 -0.035 0.000 1.045 118 F HN 0.001 nan 8.300 nan 0.000 0.516 119 V N -0.210 119.756 119.914 0.087 0.000 2.343 119 V HA -0.341 3.779 4.120 -0.000 0.000 0.247 119 V C 1.859 177.841 176.094 -0.187 0.000 1.051 119 V CA 2.284 64.454 62.300 -0.217 0.000 1.036 119 V CB -0.593 31.005 31.823 -0.375 0.000 0.654 119 V HN 0.273 nan 8.190 nan 0.000 0.451 120 D N -0.280 120.013 120.400 -0.178 0.000 2.144 120 D HA -0.187 4.453 4.640 -0.000 0.000 0.200 120 D C 2.092 178.097 176.300 -0.492 0.000 0.978 120 D CA 1.076 54.899 54.000 -0.295 0.000 0.833 120 D CB 0.004 40.648 40.800 -0.259 0.000 0.961 120 D HN 0.424 nan 8.370 nan 0.000 0.470 121 E N 0.005 120.006 120.200 -0.332 0.000 2.077 121 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 121 E C 1.898 178.428 176.600 -0.117 0.000 0.989 121 E CA 1.402 57.644 56.400 -0.263 0.000 0.800 121 E CB -0.528 29.017 29.700 -0.258 0.000 0.746 121 E HN 0.291 nan 8.360 nan 0.000 0.452 122 A N 0.652 123.441 122.820 -0.052 0.000 1.940 122 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 122 A C 2.161 179.743 177.584 -0.003 0.000 1.176 122 A CA 1.655 53.710 52.037 0.030 0.000 0.631 122 A CB -0.463 18.646 19.000 0.180 0.000 0.814 122 A HN 0.186 nan 8.150 nan 0.000 0.446 123 R N -1.324 119.141 120.500 -0.057 0.000 2.092 123 R HA -0.109 4.231 4.340 -0.000 0.000 0.231 123 R C 2.026 178.417 176.300 0.151 0.000 1.119 123 R CA 1.557 57.669 56.100 0.021 0.000 0.970 123 R CB -0.547 29.736 30.300 -0.029 0.000 0.864 123 R HN 0.789 nan 8.270 nan 0.000 0.440 124 H N 0.342 119.449 119.070 0.061 0.000 2.387 124 H HA -0.129 4.427 4.556 -0.000 0.000 0.299 124 H C 2.203 177.588 175.328 0.096 0.000 1.090 124 H CA 1.092 57.183 56.048 0.072 0.000 1.332 124 H CB 0.122 29.907 29.762 0.040 0.000 1.386 124 H HN 0.295 nan 8.280 nan 0.000 0.516 125 Q N 0.658 120.582 119.800 0.206 0.000 2.084 125 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 125 Q C 2.287 178.386 176.000 0.165 0.000 0.978 125 Q CA 1.407 57.313 55.803 0.171 0.000 0.844 125 Q CB 0.008 28.837 28.738 0.153 0.000 0.898 125 Q HN 0.604 nan 8.270 nan 0.000 0.426 126 Q N 0.150 120.033 119.800 0.138 0.000 2.079 126 Q HA -0.160 4.180 4.340 -0.000 0.000 0.200 126 Q C 2.017 178.194 176.000 0.294 0.000 0.974 126 Q CA 0.866 56.742 55.803 0.121 0.000 0.840 126 Q CB 0.050 28.812 28.738 0.040 0.000 0.898 126 Q HN 0.321 nan 8.270 nan 0.000 0.430 127 E N 0.814 121.220 120.200 0.343 0.000 2.077 127 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 127 E C 2.060 178.853 176.600 0.321 0.000 0.989 127 E CA 0.807 57.430 56.400 0.372 0.000 0.800 127 E CB -0.167 29.696 29.700 0.272 0.000 0.746 127 E HN 0.416 nan 8.360 nan 0.000 0.452 128 I N 0.765 121.478 120.570 0.239 0.000 2.163 128 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 128 I C 2.615 178.859 176.117 0.212 0.000 1.085 128 I CA 1.323 62.739 61.300 0.194 0.000 1.347 128 I CB -0.246 37.848 38.000 0.157 0.000 1.044 128 I HN 0.023 nan 8.210 nan 0.000 0.408 129 R N -0.530 120.104 120.500 0.224 0.000 2.096 129 R HA -0.217 4.123 4.340 -0.000 0.000 0.235 129 R C 2.383 178.832 176.300 0.249 0.000 1.127 129 R CA 1.619 57.843 56.100 0.208 0.000 0.968 129 R CB -0.523 29.879 30.300 0.169 0.000 0.861 129 R HN 0.342 nan 8.270 nan 0.000 0.440 130 Y N 1.782 122.211 120.300 0.214 0.000 2.181 130 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 130 Y C 1.874 177.897 175.900 0.205 0.000 1.146 130 Y CA 1.596 59.853 58.100 0.262 0.000 1.164 130 Y CB 0.074 38.778 38.460 0.406 0.000 0.982 130 Y HN -0.135 nan 8.280 nan 0.000 0.515 131 K N -0.087 120.449 120.400 0.226 0.000 2.097 131 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 131 K C 2.028 178.658 176.600 0.051 0.000 1.050 131 K CA 1.592 57.943 56.287 0.107 0.000 0.938 131 K CB -0.218 32.373 32.500 0.151 0.000 0.718 131 K HN 0.368 nan 8.250 nan 0.000 0.442 132 I N 1.090 121.717 120.570 0.096 0.000 2.163 132 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 132 I C 2.137 178.304 176.117 0.083 0.000 1.085 132 I CA 1.369 62.731 61.300 0.104 0.000 1.347 132 I CB -0.263 37.846 38.000 0.181 0.000 1.044 132 I HN 0.139 nan 8.210 nan 0.000 0.408 133 L N 0.096 121.357 121.223 0.063 0.000 2.005 133 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 133 L C 2.842 179.708 176.870 -0.007 0.000 1.072 133 L CA 2.004 56.876 54.840 0.054 0.000 0.744 133 L CB -1.096 40.995 42.059 0.054 0.000 0.895 133 L HN 0.402 nan 8.230 nan 0.000 0.433 134 T N -3.176 111.293 114.554 -0.141 0.000 2.915 134 T HA -0.070 4.280 4.350 -0.000 0.000 0.269 134 T C 1.880 176.566 174.700 -0.024 0.000 1.071 134 T CA 0.907 62.936 62.100 -0.117 0.000 1.132 134 T CB -0.711 67.998 68.868 -0.265 0.000 0.878 134 T HN 0.388 nan 8.240 nan 0.000 0.479 135 G N 1.060 109.854 108.800 -0.011 0.000 2.422 135 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.218 135 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.218 135 G C 1.569 176.508 174.900 0.064 0.000 1.140 135 G CA 0.560 45.671 45.100 0.019 0.000 0.775 135 G HN 0.488 nan 8.290 nan 0.000 0.545 136 M N 0.106 119.769 119.600 0.105 0.000 2.132 136 M HA -0.027 4.453 4.480 -0.000 0.000 0.263 136 M C 2.599 179.040 176.300 0.236 0.000 1.065 136 M CA 0.883 56.309 55.300 0.209 0.000 1.122 136 M CB -0.177 32.505 32.600 0.137 0.000 1.365 136 M HN 0.092 nan 8.290 nan 0.000 0.411 137 V N -0.015 119.981 119.914 0.137 0.000 2.453 137 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 137 V C 2.359 178.495 176.094 0.071 0.000 1.048 137 V CA 1.701 64.070 62.300 0.115 0.000 1.049 137 V CB -0.818 31.060 31.823 0.092 0.000 0.672 137 V HN 0.454 nan 8.190 nan 0.000 0.457 138 R N 0.314 120.836 120.500 0.036 0.000 2.070 138 R HA -0.190 4.150 4.340 -0.000 0.000 0.233 138 R C 1.962 178.209 176.300 -0.087 0.000 1.137 138 R CA 2.219 58.311 56.100 -0.013 0.000 0.945 138 R CB -0.275 30.014 30.300 -0.018 0.000 0.845 138 R HN 0.489 nan 8.270 nan 0.000 0.430 139 D N -0.853 119.454 120.400 -0.155 0.000 2.234 139 D HA -0.071 4.569 4.640 -0.000 0.000 0.205 139 D C 0.033 175.862 176.300 -0.785 0.000 0.962 139 D CA 1.036 54.739 54.000 -0.495 0.000 0.855 139 D CB 0.209 40.612 40.800 -0.662 0.000 0.951 139 D HN 0.204 nan 8.370 nan 0.000 0.500 140 F N 0.233 120.172 119.950 -0.019 0.000 2.597 140 F HA 0.262 4.789 4.527 -0.000 0.000 0.336 140 F C -1.643 174.159 175.800 0.003 0.000 1.432 140 F CA -1.737 56.254 58.000 -0.015 0.000 1.120 140 F CB 1.371 40.356 39.000 -0.026 0.000 1.253 140 F HN -0.156 nan 8.300 nan 0.000 0.546 141 P HA -0.134 nan 4.420 nan 0.000 0.220 141 P C 0.698 178.043 177.300 0.075 0.000 1.148 141 P CA 1.357 64.500 63.100 0.072 0.000 0.803 141 P CB 0.373 32.091 31.700 0.030 0.000 0.782 142 N N -0.476 118.270 118.700 0.077 0.000 2.467 142 N HA -0.015 4.725 4.740 -0.000 0.000 0.184 142 N C 1.648 177.206 175.510 0.079 0.000 1.106 142 N CA 0.638 53.728 53.050 0.065 0.000 0.892 142 N CB 0.049 38.568 38.487 0.053 0.000 0.969 142 N HN 0.420 nan 8.380 nan 0.000 0.454 143 Q N -0.260 119.610 119.800 0.116 0.000 2.322 143 Q HA 0.224 4.564 4.340 -0.000 0.000 0.250 143 Q C -0.395 175.674 176.000 0.116 0.000 0.853 143 Q CA 0.338 56.202 55.803 0.102 0.000 0.951 143 Q CB 1.748 30.545 28.738 0.098 0.000 1.114 143 Q HN -0.000 nan 8.270 nan 0.000 0.523 144 V N -0.239 119.759 119.914 0.139 0.000 2.888 144 V HA 0.786 4.905 4.120 -0.000 0.000 0.309 144 V C -0.225 175.938 176.094 0.115 0.000 1.114 144 V CA -0.890 61.507 62.300 0.162 0.000 0.940 144 V CB 1.819 33.753 31.823 0.185 0.000 1.021 144 V HN 0.192 nan 8.190 nan 0.000 0.426 145 G N 2.175 111.021 108.800 0.077 0.000 2.680 145 G HA2 0.811 4.771 3.960 -0.000 0.000 0.290 145 G HA3 0.811 4.771 3.960 -0.000 0.000 0.290 145 G C -1.532 173.367 174.900 -0.002 0.000 1.355 145 G CA -0.801 44.324 45.100 0.040 0.000 0.903 145 G HN 0.617 nan 8.290 nan 0.000 0.474 146 I N 1.160 121.700 120.570 -0.049 0.000 2.336 146 I HA 0.489 4.659 4.170 -0.000 0.000 0.292 146 I C 0.636 176.514 176.117 -0.398 0.000 0.991 146 I CA -0.701 60.483 61.300 -0.193 0.000 1.227 146 I CB 1.906 39.778 38.000 -0.215 0.000 1.366 146 I HN 0.526 nan 8.210 nan 0.000 0.466 147 A N 5.886 128.578 122.820 -0.213 0.000 2.309 147 A HA 0.386 4.706 4.320 -0.000 0.000 0.290 147 A C -0.379 177.180 177.584 -0.040 0.000 1.206 147 A CA -0.137 51.873 52.037 -0.045 0.000 0.850 147 A CB -0.077 19.117 19.000 0.324 0.000 1.118 147 A HN 0.724 nan 8.150 nan 0.000 0.523 148 Y N 1.775 122.248 120.300 0.289 0.000 2.457 148 Y HA 0.242 4.792 4.550 -0.000 0.000 0.263 148 Y C 1.102 177.131 175.900 0.214 0.000 1.164 148 Y CA 0.619 58.902 58.100 0.304 0.000 1.274 148 Y CB 0.144 38.718 38.460 0.190 0.000 1.097 148 Y HN 0.752 nan 8.280 nan 0.000 0.523 149 S N -2.532 113.145 115.700 -0.038 0.000 2.587 149 S HA 0.307 4.777 4.470 -0.000 0.000 0.269 149 S C -2.654 171.198 174.600 -1.248 0.000 1.154 149 S CA -1.260 56.477 58.200 -0.771 0.000 0.824 149 S CB 1.982 64.973 63.200 -0.348 0.000 1.118 149 S HN -0.258 nan 8.310 nan 0.000 0.462 150 P HA -0.055 nan 4.420 nan 0.000 0.218 150 P C 0.913 178.053 177.300 -0.268 0.000 1.148 150 P CA 1.422 64.080 63.100 -0.737 0.000 0.822 150 P CB -0.042 31.353 31.700 -0.509 0.000 0.784 151 E N 0.298 120.347 120.200 -0.252 0.000 2.038 151 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 151 E C 1.854 178.430 176.600 -0.041 0.000 1.000 151 E CA 1.402 57.739 56.400 -0.104 0.000 0.803 151 E CB -1.054 28.590 29.700 -0.092 0.000 0.750 151 E HN 0.244 nan 8.360 nan 0.000 0.448 152 D N -0.299 120.074 120.400 -0.045 0.000 2.123 152 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 152 D C 1.756 178.076 176.300 0.034 0.000 0.992 152 D CA 0.741 54.749 54.000 0.015 0.000 0.833 152 D CB -0.451 40.381 40.800 0.052 0.000 0.954 152 D HN 0.125 nan 8.370 nan 0.000 0.455 153 F N 1.677 121.584 119.950 -0.071 0.000 2.095 153 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 153 F C 2.431 178.216 175.800 -0.025 0.000 1.104 153 F CA 1.598 59.587 58.000 -0.019 0.000 1.232 153 F CB 0.099 39.122 39.000 0.038 0.000 0.987 153 F HN -0.173 nan 8.300 nan 0.000 0.475 154 R N -0.292 120.332 120.500 0.207 0.000 2.081 154 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 154 R C 2.442 178.754 176.300 0.020 0.000 1.131 154 R CA 1.537 57.711 56.100 0.123 0.000 0.960 154 R CB -0.531 29.825 30.300 0.093 0.000 0.856 154 R HN 0.301 nan 8.270 nan 0.000 0.436 155 R N 1.190 121.692 120.500 0.003 0.000 2.080 155 R HA -0.146 4.194 4.340 -0.000 0.000 0.236 155 R C 2.290 178.566 176.300 -0.041 0.000 1.137 155 R CA 1.513 57.606 56.100 -0.012 0.000 0.943 155 R CB -0.382 29.917 30.300 -0.002 0.000 0.846 155 R HN 0.158 nan 8.270 nan 0.000 0.431 156 L N 0.397 121.572 121.223 -0.081 0.000 2.042 156 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 156 L C 2.782 179.567 176.870 -0.141 0.000 1.076 156 L CA 1.440 56.210 54.840 -0.116 0.000 0.749 156 L CB -0.602 41.349 42.059 -0.180 0.000 0.893 156 L HN 0.377 nan 8.230 nan 0.000 0.432 157 A N -0.223 122.475 122.820 -0.203 0.000 1.908 157 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 157 A C 2.356 179.906 177.584 -0.057 0.000 1.181 157 A CA 2.244 54.189 52.037 -0.154 0.000 0.627 157 A CB -0.602 18.321 19.000 -0.130 0.000 0.818 157 A HN 0.493 nan 8.150 nan 0.000 0.445 158 M N -0.422 119.159 119.600 -0.033 0.000 2.132 158 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 158 M C 1.580 177.875 176.300 -0.009 0.000 1.065 158 M CA 2.067 57.361 55.300 -0.010 0.000 1.122 158 M CB -0.270 32.329 32.600 -0.002 0.000 1.365 158 M HN 0.494 nan 8.290 nan 0.000 0.411 159 E N 0.034 120.226 120.200 -0.015 0.000 2.472 159 E HA -0.003 4.347 4.350 -0.000 0.000 0.200 159 E C 0.940 177.539 176.600 -0.002 0.000 1.046 159 E CA 0.477 56.874 56.400 -0.006 0.000 0.871 159 E CB -0.175 29.522 29.700 -0.005 0.000 0.806 159 E HN 0.849 nan 8.360 nan 0.000 0.533 160 G N 1.940 110.734 108.800 -0.009 0.000 2.147 160 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.244 160 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.244 160 G C -0.165 174.744 174.900 0.015 0.000 1.005 160 G CA 0.231 45.333 45.100 0.003 0.000 0.713 160 G HN 0.160 nan 8.290 nan 0.000 0.515 161 K N -0.453 119.946 120.400 -0.001 0.000 2.185 161 K HA 0.523 4.843 4.320 -0.000 0.000 0.269 161 K C -0.015 176.597 176.600 0.020 0.000 0.987 161 K CA -1.069 55.235 56.287 0.028 0.000 0.865 161 K CB 1.402 33.911 32.500 0.016 0.000 1.090 161 K HN 0.107 nan 8.250 nan 0.000 0.450 162 F N 2.457 122.368 119.950 -0.065 0.000 2.602 162 F HA 0.056 4.583 4.527 -0.000 0.000 0.385 162 F C 0.016 175.759 175.800 -0.095 0.000 1.063 162 F CA -0.228 57.729 58.000 -0.072 0.000 1.233 162 F CB 0.361 39.340 39.000 -0.034 0.000 1.067 162 F HN 0.547 nan 8.300 nan 0.000 0.564 163 A N 8.613 130.997 122.820 -0.728 0.000 2.294 163 A HA 0.498 4.818 4.320 -0.000 0.000 0.316 163 A C -0.268 177.046 177.584 -0.450 0.000 1.359 163 A CA -0.651 51.032 52.037 -0.591 0.000 0.956 163 A CB -0.373 18.020 19.000 -1.010 0.000 1.155 163 A HN 0.763 nan 8.150 nan 0.000 0.544 164 I N 2.850 123.334 120.570 -0.143 0.000 2.416 164 I HA 0.155 4.325 4.170 -0.000 0.000 0.288 164 I C -0.311 175.870 176.117 0.107 0.000 1.051 164 I CA -0.160 61.164 61.300 0.041 0.000 1.375 164 I CB 1.467 39.548 38.000 0.135 0.000 1.407 164 I HN 0.276 nan 8.210 nan 0.000 0.516 165 V N 7.825 127.853 119.914 0.190 0.000 2.350 165 V HA 0.238 4.358 4.120 -0.000 0.000 0.276 165 V C 0.213 176.375 176.094 0.113 0.000 1.028 165 V CA -0.557 61.836 62.300 0.154 0.000 0.860 165 V CB 1.407 33.292 31.823 0.103 0.000 0.990 165 V HN 0.687 nan 8.190 nan 0.000 0.453 166 M N 6.136 125.807 119.600 0.119 0.000 2.143 166 M HA 0.363 4.843 4.480 -0.000 0.000 0.348 166 M C 0.362 176.741 176.300 0.132 0.000 1.375 166 M CA 0.188 55.578 55.300 0.150 0.000 1.124 166 M CB 0.446 33.186 32.600 0.232 0.000 1.669 166 M HN 0.841 nan 8.290 nan 0.000 0.469 167 S N 5.230 120.985 115.700 0.093 0.000 2.759 167 S HA 0.867 5.337 4.470 -0.000 0.000 0.310 167 S C -0.675 173.955 174.600 0.049 0.000 1.123 167 S CA -1.082 57.162 58.200 0.073 0.000 0.959 167 S CB 2.034 65.256 63.200 0.037 0.000 1.172 167 S HN 0.878 nan 8.310 nan 0.000 0.539 168 M N 1.152 120.776 119.600 0.039 0.000 2.322 168 M HA 0.665 5.145 4.480 -0.000 0.000 0.286 168 M C -2.543 173.711 176.300 -0.076 0.000 1.111 168 M CA -0.782 54.506 55.300 -0.019 0.000 0.941 168 M CB 1.892 34.513 32.600 0.035 0.000 1.671 168 M HN 0.768 nan 8.290 nan 0.000 0.470 169 L N 5.460 126.645 121.223 -0.063 0.000 2.409 169 L HA 0.731 5.071 4.340 -0.000 0.000 0.272 169 L C -1.321 175.515 176.870 -0.056 0.000 0.980 169 L CA 0.154 54.957 54.840 -0.062 0.000 0.826 169 L CB 1.870 43.996 42.059 0.111 0.000 1.268 169 L HN 0.957 nan 8.230 nan 0.000 0.407 170 N N 3.076 121.666 118.700 -0.184 0.000 4.145 170 N HA -0.088 4.652 4.740 -0.000 0.000 0.278 170 N C -0.034 175.392 175.510 -0.139 0.000 2.183 170 N CA 0.677 53.675 53.050 -0.086 0.000 2.692 170 N CB -0.394 38.046 38.487 -0.079 0.000 0.397 170 N HN 0.925 nan 8.380 nan 0.000 0.541 171 A N 3.830 126.585 122.820 -0.109 0.000 2.167 171 A HA -0.041 4.279 4.320 -0.000 0.000 0.214 171 A C 1.733 179.099 177.584 -0.363 0.000 1.151 171 A CA 1.379 53.231 52.037 -0.308 0.000 0.735 171 A CB -0.494 18.225 19.000 -0.469 0.000 0.802 171 A HN 0.795 nan 8.150 nan 0.000 0.467 172 Y N 1.934 122.099 120.300 -0.225 0.000 2.069 172 Y HA -0.214 4.336 4.550 -0.000 0.000 0.278 172 Y C -0.858 174.927 175.900 -0.192 0.000 1.175 172 Y CA 2.787 60.782 58.100 -0.174 0.000 1.134 172 Y CB -1.230 37.178 38.460 -0.086 0.000 0.965 172 Y HN 0.307 nan 8.280 nan 0.000 0.498 173 P HA -0.128 nan 4.420 nan 0.000 0.225 173 P C 1.200 178.341 177.300 -0.265 0.000 1.148 173 P CA 1.547 64.474 63.100 -0.289 0.000 0.779 173 P CB -0.170 31.450 31.700 -0.134 0.000 0.780 174 L N -2.935 118.105 121.223 -0.306 0.000 2.509 174 L HA 0.203 4.543 4.340 -0.000 0.000 0.222 174 L C 1.620 178.398 176.870 -0.154 0.000 1.123 174 L CA 0.411 55.118 54.840 -0.222 0.000 0.856 174 L CB -1.286 40.557 42.059 -0.359 0.000 0.985 174 L HN 0.091 nan 8.230 nan 0.000 0.456 175 G N 1.246 109.915 108.800 -0.218 0.000 2.566 175 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.280 175 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.280 175 G C 0.057 175.052 174.900 0.159 0.000 1.225 175 G CA 0.323 45.379 45.100 -0.073 0.000 0.966 175 G HN 0.305 nan 8.290 nan 0.000 0.560 176 D N 1.167 121.682 120.400 0.192 0.000 2.342 176 D HA 0.228 4.868 4.640 -0.000 0.000 0.221 176 D C 0.272 176.725 176.300 0.255 0.000 1.101 176 D CA 0.409 54.581 54.000 0.285 0.000 0.837 176 D CB 0.303 41.192 40.800 0.148 0.000 0.938 176 D HN 0.343 nan 8.370 nan 0.000 0.508 177 D N 1.101 121.657 120.400 0.260 0.000 2.456 177 D HA 0.033 4.673 4.640 -0.000 0.000 0.219 177 D C 1.157 177.614 176.300 0.263 0.000 1.126 177 D CA -0.521 53.589 54.000 0.184 0.000 0.890 177 D CB 0.861 41.723 40.800 0.103 0.000 1.025 177 D HN -0.171 nan 8.370 nan 0.000 0.511 178 L N 3.516 124.841 121.223 0.171 0.000 2.127 178 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 178 L C 2.206 179.132 176.870 0.092 0.000 1.089 178 L CA 1.881 56.782 54.840 0.101 0.000 0.757 178 L CB -0.699 41.329 42.059 -0.052 0.000 0.899 178 L HN 0.530 nan 8.230 nan 0.000 0.434 179 S N -2.109 113.629 115.700 0.063 0.000 2.507 179 S HA -0.164 4.306 4.470 -0.000 0.000 0.235 179 S C 1.718 176.344 174.600 0.044 0.000 0.988 179 S CA 0.443 58.664 58.200 0.035 0.000 0.944 179 S CB -0.450 62.757 63.200 0.012 0.000 0.762 179 S HN 0.515 nan 8.310 nan 0.000 0.526 180 Q N 1.155 121.010 119.800 0.093 0.000 2.291 180 Q HA 0.103 4.443 4.340 -0.000 0.000 0.206 180 Q C 2.117 178.222 176.000 0.175 0.000 0.976 180 Q CA 0.877 56.752 55.803 0.119 0.000 0.875 180 Q CB -0.587 28.259 28.738 0.180 0.000 0.927 180 Q HN 0.614 nan 8.270 nan 0.000 0.450 181 L N 0.295 121.582 121.223 0.107 0.000 2.027 181 L HA -0.212 4.128 4.340 -0.000 0.000 0.206 181 L C 1.680 178.592 176.870 0.069 0.000 1.074 181 L CA 1.436 56.296 54.840 0.034 0.000 0.745 181 L CB -0.496 41.528 42.059 -0.058 0.000 0.898 181 L HN 0.137 nan 8.230 nan 0.000 0.433 182 D N 0.090 120.516 120.400 0.043 0.000 2.117 182 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 182 D C 2.180 178.491 176.300 0.018 0.000 0.987 182 D CA 1.178 55.197 54.000 0.030 0.000 0.829 182 D CB -0.022 40.784 40.800 0.010 0.000 0.961 182 D HN 0.227 nan 8.370 nan 0.000 0.460 183 K N -0.455 119.930 120.400 -0.025 0.000 2.057 183 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 183 K C 2.043 178.554 176.600 -0.148 0.000 1.050 183 K CA 0.992 57.199 56.287 -0.133 0.000 0.935 183 K CB -0.211 32.146 32.500 -0.239 0.000 0.715 183 K HN 0.275 nan 8.250 nan 0.000 0.439 184 W N 0.944 122.225 121.300 -0.032 0.000 2.381 184 W HA -0.116 4.543 4.660 -0.000 0.000 0.301 184 W C 2.513 179.063 176.519 0.053 0.000 1.205 184 W CA 0.861 58.201 57.345 -0.009 0.000 1.285 184 W CB -0.229 29.228 29.460 -0.005 0.000 1.133 184 W HN 0.122 nan 8.180 nan 0.000 0.521 185 A N 0.619 123.598 122.820 0.266 0.000 1.892 185 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 185 A C 2.035 179.726 177.584 0.178 0.000 1.188 185 A CA 2.564 54.730 52.037 0.214 0.000 0.631 185 A CB -1.357 17.733 19.000 0.149 0.000 0.822 185 A HN 0.230 nan 8.150 nan 0.000 0.447 186 A N -0.357 122.523 122.820 0.101 0.000 1.972 186 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 186 A C 2.152 179.777 177.584 0.068 0.000 1.169 186 A CA 1.489 53.555 52.037 0.050 0.000 0.635 186 A CB -0.411 18.586 19.000 -0.005 0.000 0.810 186 A HN 0.575 nan 8.150 nan 0.000 0.446 187 R N -1.613 118.950 120.500 0.105 0.000 2.307 187 R HA 0.190 4.530 4.340 -0.000 0.000 0.199 187 R C 1.260 177.823 176.300 0.438 0.000 1.000 187 R CA 0.595 56.813 56.100 0.197 0.000 1.023 187 R CB 0.001 30.285 30.300 -0.027 0.000 0.908 187 R HN 0.664 nan 8.270 nan 0.000 0.473 188 G N -0.142 108.911 108.800 0.420 0.000 2.260 188 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.179 188 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.179 188 G C 0.064 175.270 174.900 0.511 0.000 1.002 188 G CA -0.504 44.962 45.100 0.610 0.000 0.677 188 G HN 0.070 nan 8.290 nan 0.000 0.486 189 V N 2.073 122.247 119.914 0.433 0.000 2.585 189 V HA 0.377 4.497 4.120 -0.000 0.000 0.296 189 V C 1.355 177.629 176.094 0.300 0.000 1.035 189 V CA 0.324 62.827 62.300 0.338 0.000 1.084 189 V CB 1.338 33.348 31.823 0.312 0.000 0.953 189 V HN 0.320 nan 8.190 nan 0.000 0.483 190 R N 3.462 124.105 120.500 0.239 0.000 2.509 190 R HA 0.418 4.758 4.340 -0.000 0.000 0.297 190 R C -0.180 176.168 176.300 0.081 0.000 0.951 190 R CA 0.063 56.290 56.100 0.212 0.000 1.103 190 R CB 0.652 31.118 30.300 0.276 0.000 1.283 190 R HN 0.717 nan 8.270 nan 0.000 0.534 191 M N 0.020 119.685 119.600 0.109 0.000 2.365 191 M HA 0.431 4.910 4.480 -0.000 0.000 0.287 191 M C -1.998 174.427 176.300 0.208 0.000 1.154 191 M CA -0.817 54.555 55.300 0.119 0.000 0.941 191 M CB 2.455 35.104 32.600 0.081 0.000 1.704 191 M HN -0.067 nan 8.290 nan 0.000 0.479 192 F N 3.020 123.005 119.950 0.058 0.000 2.562 192 F HA 0.797 5.324 4.527 -0.000 0.000 0.319 192 F C -0.554 175.293 175.800 0.078 0.000 1.154 192 F CA -0.361 57.652 58.000 0.022 0.000 0.931 192 F CB 1.775 40.758 39.000 -0.030 0.000 1.198 192 F HN 0.583 nan 8.300 nan 0.000 0.444 193 G N 4.950 113.418 108.800 -0.554 0.000 2.368 193 G HA2 0.308 4.268 3.960 -0.000 0.000 0.320 193 G HA3 0.308 4.268 3.960 -0.000 0.000 0.320 193 G C 0.007 174.462 174.900 -0.742 0.000 1.158 193 G CA -0.460 44.429 45.100 -0.351 0.000 0.912 193 G HN 0.778 nan 8.290 nan 0.000 0.456 194 F N 1.455 121.144 119.950 -0.434 0.000 2.216 194 F HA 0.009 4.536 4.527 -0.000 0.000 0.300 194 F C 1.696 177.454 175.800 -0.070 0.000 1.085 194 F CA 0.949 58.837 58.000 -0.186 0.000 1.326 194 F CB 0.372 39.469 39.000 0.163 0.000 1.027 194 F HN 0.235 nan 8.300 nan 0.000 0.497 195 S N -2.201 113.606 115.700 0.178 0.000 2.566 195 S HA 0.483 4.952 4.470 -0.000 0.000 0.298 195 S C -1.222 173.542 174.600 0.273 0.000 1.083 195 S CA -0.501 57.826 58.200 0.212 0.000 0.978 195 S CB 2.346 65.650 63.200 0.173 0.000 1.073 195 S HN 0.096 nan 8.310 nan 0.000 0.491 196 Y N 0.724 121.122 120.300 0.163 0.000 3.123 196 Y HA 0.597 5.147 4.550 -0.000 0.000 0.305 196 Y C -0.455 175.548 175.900 0.172 0.000 1.560 196 Y CA -1.127 57.085 58.100 0.186 0.000 1.048 196 Y CB 0.020 38.675 38.460 0.324 0.000 1.380 196 Y HN 0.405 nan 8.280 nan 0.000 0.618 197 V N 2.450 122.172 119.914 -0.320 0.000 2.673 197 V HA 0.402 4.522 4.120 -0.000 0.000 0.303 197 V C 0.273 176.593 176.094 0.378 0.000 1.046 197 V CA 1.035 63.313 62.300 -0.036 0.000 1.126 197 V CB -0.302 31.438 31.823 -0.139 0.000 0.934 197 V HN 1.059 nan 8.190 nan 0.000 0.487 198 G N 4.316 113.290 108.800 0.290 0.000 2.907 198 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.686 198 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.686 198 G C -0.624 174.461 174.900 0.308 0.000 1.115 198 G CA -0.860 44.496 45.100 0.426 0.000 0.760 198 G HN 0.710 nan 8.290 nan 0.000 0.620 199 N N 0.612 119.462 118.700 0.251 0.000 2.415 199 N HA 0.457 5.196 4.740 -0.000 0.000 0.248 199 N C 0.735 176.373 175.510 0.212 0.000 1.271 199 N CA 0.700 53.868 53.050 0.198 0.000 0.913 199 N CB 0.893 39.472 38.487 0.153 0.000 1.129 199 N HN 1.044 nan 8.380 nan 0.000 0.444 200 N N -1.586 117.248 118.700 0.223 0.000 2.831 200 N HA 0.317 5.057 4.740 -0.000 0.000 0.276 200 N C -0.570 175.093 175.510 0.256 0.000 1.416 200 N CA -0.651 52.545 53.050 0.243 0.000 0.799 200 N CB 0.592 39.234 38.487 0.260 0.000 1.554 200 N HN 0.095 nan 8.380 nan 0.000 0.541 201 D N -1.319 119.242 120.400 0.268 0.000 2.371 201 D HA 0.010 4.650 4.640 -0.000 0.000 0.221 201 D C 0.208 176.819 176.300 0.518 0.000 0.986 201 D CA 0.761 54.955 54.000 0.324 0.000 0.899 201 D CB -0.091 40.880 40.800 0.285 0.000 0.902 201 D HN 0.512 nan 8.370 nan 0.000 0.530 202 W N 0.970 122.392 121.300 0.202 0.000 2.640 202 W HA 0.456 5.116 4.660 0.000 0.000 0.271 202 W C 0.575 177.243 176.519 0.248 0.000 1.218 202 W CA -0.284 57.226 57.345 0.275 0.000 1.382 202 W CB 0.187 29.903 29.460 0.427 0.000 1.067 202 W HN -0.220 nan 8.180 nan 0.000 0.590 203 A N 0.248 123.341 122.820 0.456 0.000 2.547 203 A HA 0.488 4.808 4.320 -0.000 0.000 0.297 203 A C -1.243 176.458 177.584 0.194 0.000 1.056 203 A CA -0.661 51.526 52.037 0.251 0.000 0.688 203 A CB 0.821 19.966 19.000 0.241 0.000 1.282 203 A HN -0.175 nan 8.150 nan 0.000 0.400 204 D N 1.293 121.763 120.400 0.116 0.000 2.372 204 D HA 0.382 5.022 4.640 -0.000 0.000 0.243 204 D C 0.425 176.778 176.300 0.088 0.000 1.121 204 D CA 0.581 54.640 54.000 0.098 0.000 0.898 204 D CB 1.578 42.415 40.800 0.061 0.000 1.202 204 D HN 0.419 nan 8.370 nan 0.000 0.428 205 S N -0.351 115.404 115.700 0.092 0.000 2.646 205 S HA 0.190 4.660 4.470 -0.000 0.000 0.276 205 S C 1.310 175.924 174.600 0.023 0.000 1.222 205 S CA -0.437 57.804 58.200 0.069 0.000 1.014 205 S CB 0.963 64.221 63.200 0.097 0.000 0.991 205 S HN 0.389 nan 8.310 nan 0.000 0.533 206 S N 2.878 118.567 115.700 -0.018 0.000 2.481 206 S HA 0.131 4.601 4.470 -0.000 0.000 0.231 206 S C 0.696 175.272 174.600 -0.040 0.000 0.996 206 S CA 0.290 58.462 58.200 -0.047 0.000 0.942 206 S CB -0.262 62.879 63.200 -0.099 0.000 0.768 206 S HN 0.695 nan 8.310 nan 0.000 0.520 207 R N 2.060 122.545 120.500 -0.025 0.000 2.651 207 R HA 0.351 4.691 4.340 -0.000 0.000 0.282 207 R C -3.084 173.235 176.300 0.032 0.000 1.565 207 R CA -1.973 54.123 56.100 -0.008 0.000 1.661 207 R CB 1.168 31.435 30.300 -0.054 0.000 1.189 207 R HN 0.311 nan 8.270 nan 0.000 0.621 208 P HA -0.012 nan 4.420 nan 0.000 0.268 208 P C -0.357 176.952 177.300 0.015 0.000 1.204 208 P CA 0.246 63.380 63.100 0.057 0.000 0.768 208 P CB 0.919 32.651 31.700 0.053 0.000 0.842 209 L N 6.395 127.606 121.223 -0.020 0.000 2.272 209 L HA 0.258 4.598 4.340 -0.000 0.000 0.289 209 L C -1.001 175.780 176.870 -0.148 0.000 1.032 209 L CA -2.094 52.652 54.840 -0.156 0.000 0.810 209 L CB 2.017 43.771 42.059 -0.509 0.000 1.205 209 L HN 0.224 nan 8.230 nan 0.000 0.422 210 P HA -0.203 nan 4.420 nan 0.000 0.221 210 P C 1.488 178.672 177.300 -0.193 0.000 1.150 210 P CA 0.966 63.963 63.100 -0.171 0.000 0.800 210 P CB 0.152 31.710 31.700 -0.237 0.000 0.787 211 F N 0.266 119.935 119.950 -0.468 0.000 2.250 211 F HA -0.111 4.416 4.527 -0.000 0.000 0.301 211 F C 1.483 177.134 175.800 -0.248 0.000 1.077 211 F CA 1.228 58.861 58.000 -0.613 0.000 1.348 211 F CB -0.493 37.862 39.000 -1.074 0.000 1.040 211 F HN -0.244 nan 8.300 nan 0.000 0.509 212 F N 0.117 119.922 119.950 -0.241 0.000 2.732 212 F HA 0.177 4.704 4.527 -0.000 0.000 0.303 212 F C 1.305 176.971 175.800 -0.223 0.000 1.110 212 F CA -0.032 57.805 58.000 -0.271 0.000 1.355 212 F CB -1.731 37.179 39.000 -0.149 0.000 1.081 212 F HN 0.001 nan 8.300 nan 0.000 0.565 213 N N 0.984 119.653 118.700 -0.052 0.000 2.747 213 N HA -0.224 4.516 4.740 -0.000 0.000 0.249 213 N C -0.870 174.630 175.510 -0.016 0.000 1.107 213 N CA 0.478 53.487 53.050 -0.069 0.000 0.707 213 N CB -1.291 37.140 38.487 -0.093 0.000 1.054 213 N HN 0.078 nan 8.380 nan 0.000 0.555 214 D N -0.073 120.338 120.400 0.020 0.000 2.414 214 D HA 0.229 4.869 4.640 -0.000 0.000 0.242 214 D C 0.008 176.316 176.300 0.014 0.000 1.129 214 D CA 0.481 54.508 54.000 0.045 0.000 0.885 214 D CB 0.852 41.699 40.800 0.079 0.000 1.198 214 D HN 0.181 nan 8.370 nan 0.000 0.437 215 S N 1.852 117.567 115.700 0.024 0.000 2.501 215 S HA 0.461 4.931 4.470 -0.000 0.000 0.301 215 S C -2.394 172.225 174.600 0.032 0.000 1.096 215 S CA -1.279 56.933 58.200 0.019 0.000 1.063 215 S CB 1.776 64.985 63.200 0.014 0.000 1.042 215 S HN 0.309 nan 8.310 nan 0.000 0.494 216 P HA 0.065 nan 4.420 nan 0.000 0.265 216 P C -0.585 176.733 177.300 0.030 0.000 1.193 216 P CA 0.291 63.412 63.100 0.035 0.000 0.765 216 P CB 0.154 31.876 31.700 0.036 0.000 0.823 217 D N 0.936 121.355 120.400 0.031 0.000 2.708 217 D HA -0.232 4.408 4.640 -0.000 0.000 0.236 217 D C 1.292 177.610 176.300 0.031 0.000 1.146 217 D CA 1.156 55.173 54.000 0.027 0.000 0.662 217 D CB -1.361 39.449 40.800 0.016 0.000 1.059 217 D HN 0.527 nan 8.370 nan 0.000 0.428 218 A N -0.070 122.774 122.820 0.041 0.000 1.917 218 A HA -0.154 4.165 4.320 -0.000 0.000 0.219 218 A C 2.390 179.998 177.584 0.041 0.000 1.182 218 A CA 1.334 53.395 52.037 0.041 0.000 0.633 218 A CB -0.339 18.692 19.000 0.051 0.000 0.819 218 A HN 0.448 nan 8.150 nan 0.000 0.448 219 L N -1.437 119.816 121.223 0.050 0.000 2.492 219 L HA 0.144 4.484 4.340 -0.000 0.000 0.223 219 L C 1.717 178.605 176.870 0.030 0.000 1.132 219 L CA 0.508 55.376 54.840 0.047 0.000 0.850 219 L CB -0.414 41.684 42.059 0.067 0.000 0.966 219 L HN 0.618 nan 8.230 nan 0.000 0.454 220 G N -0.178 108.636 108.800 0.024 0.000 2.160 220 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.251 220 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.251 220 G C 0.659 175.563 174.900 0.007 0.000 1.008 220 G CA 0.267 45.375 45.100 0.013 0.000 0.724 220 G HN 0.749 nan 8.290 nan 0.000 0.514 221 G N -1.275 107.531 108.800 0.010 0.000 2.344 221 G HA2 0.049 4.009 3.960 -0.000 0.000 0.215 221 G HA3 0.049 4.009 3.960 -0.000 0.000 0.215 221 G C -0.028 174.869 174.900 -0.005 0.000 1.293 221 G CA -0.211 44.885 45.100 -0.007 0.000 1.305 221 G HN 1.143 nan 8.290 nan 0.000 0.484 222 L N 2.115 123.323 121.223 -0.025 0.000 2.343 222 L HA 0.623 4.963 4.340 -0.000 0.000 0.275 222 L C 1.356 178.236 176.870 0.017 0.000 1.056 222 L CA -0.252 54.580 54.840 -0.013 0.000 0.804 222 L CB 1.749 43.763 42.059 -0.074 0.000 1.203 222 L HN 0.820 nan 8.230 nan 0.000 0.440 223 S N 1.335 117.066 115.700 0.051 0.000 2.634 223 S HA 0.290 4.760 4.470 -0.000 0.000 0.261 223 S C -1.944 172.649 174.600 -0.012 0.000 1.271 223 S CA -1.020 57.201 58.200 0.035 0.000 0.985 223 S CB 0.863 64.106 63.200 0.073 0.000 0.968 223 S HN 0.419 nan 8.310 nan 0.000 0.568 224 P HA -0.095 nan 4.420 nan 0.000 0.216 224 P C 1.635 178.875 177.300 -0.100 0.000 1.150 224 P CA 0.518 63.590 63.100 -0.046 0.000 0.843 224 P CB -0.048 31.632 31.700 -0.032 0.000 0.787 225 L N -0.235 120.898 121.223 -0.150 0.000 2.046 225 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 225 L C 2.239 178.818 176.870 -0.485 0.000 1.077 225 L CA 2.326 56.965 54.840 -0.336 0.000 0.747 225 L CB -1.699 40.121 42.059 -0.399 0.000 0.896 225 L HN -0.044 nan 8.230 nan 0.000 0.432 226 G N -0.843 107.786 108.800 -0.286 0.000 2.422 226 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 226 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 226 G C 1.686 176.605 174.900 0.032 0.000 1.146 226 G CA 0.785 45.885 45.100 -0.001 0.000 0.769 226 G HN 0.419 nan 8.290 nan 0.000 0.547 227 K N 0.024 120.398 120.400 -0.044 0.000 2.057 227 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 227 K C 2.706 179.289 176.600 -0.028 0.000 1.049 227 K CA 1.238 57.508 56.287 -0.028 0.000 0.931 227 K CB -0.166 32.313 32.500 -0.036 0.000 0.714 227 K HN 0.356 nan 8.250 nan 0.000 0.440 228 Q N 0.159 119.908 119.800 -0.085 0.000 2.167 228 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 228 Q C 2.140 178.081 176.000 -0.099 0.000 0.970 228 Q CA 1.207 56.953 55.803 -0.095 0.000 0.855 228 Q CB -0.129 28.528 28.738 -0.136 0.000 0.911 228 Q HN 0.329 nan 8.270 nan 0.000 0.438 229 A N 0.381 123.107 122.820 -0.155 0.000 1.933 229 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 229 A C 2.306 179.976 177.584 0.143 0.000 1.175 229 A CA 1.276 53.253 52.037 -0.100 0.000 0.628 229 A CB -0.622 18.260 19.000 -0.196 0.000 0.814 229 A HN 0.211 nan 8.150 nan 0.000 0.444 230 V N -0.042 120.016 119.914 0.240 0.000 2.295 230 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 230 V C 2.603 178.773 176.094 0.127 0.000 1.049 230 V CA 2.429 64.874 62.300 0.241 0.000 1.024 230 V CB -0.724 31.196 31.823 0.162 0.000 0.648 230 V HN 0.720 nan 8.190 nan 0.000 0.447 231 E N 0.715 120.956 120.200 0.068 0.000 2.058 231 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 231 E C 2.235 178.857 176.600 0.038 0.000 0.997 231 E CA 1.700 58.125 56.400 0.042 0.000 0.801 231 E CB -0.322 29.387 29.700 0.016 0.000 0.746 231 E HN 0.376 nan 8.360 nan 0.000 0.450 232 R N 0.054 120.567 120.500 0.021 0.000 2.081 232 R HA -0.013 4.327 4.340 -0.000 0.000 0.235 232 R C 2.319 178.638 176.300 0.032 0.000 1.131 232 R CA 1.495 57.601 56.100 0.010 0.000 0.960 232 R CB -0.688 29.598 30.300 -0.025 0.000 0.856 232 R HN 0.340 nan 8.270 nan 0.000 0.436 233 L N -0.090 121.166 121.223 0.055 0.000 2.056 233 L HA -0.128 4.211 4.340 -0.000 0.000 0.207 233 L C 2.049 178.978 176.870 0.099 0.000 1.078 233 L CA 1.818 56.709 54.840 0.084 0.000 0.749 233 L CB -0.553 41.594 42.059 0.146 0.000 0.901 233 L HN 0.366 nan 8.230 nan 0.000 0.433 234 N N -0.203 118.555 118.700 0.096 0.000 2.069 234 N HA -0.214 4.526 4.740 -0.000 0.000 0.191 234 N C 1.339 176.891 175.510 0.069 0.000 1.031 234 N CA 1.427 54.528 53.050 0.084 0.000 0.852 234 N CB -0.055 38.474 38.487 0.071 0.000 1.018 234 N HN 0.309 nan 8.380 nan 0.000 0.423 235 D N 1.019 121.453 120.400 0.055 0.000 2.117 235 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 235 D C 1.891 178.222 176.300 0.053 0.000 0.987 235 D CA 0.774 54.801 54.000 0.045 0.000 0.829 235 D CB -0.299 40.520 40.800 0.032 0.000 0.961 235 D HN 0.261 nan 8.370 nan 0.000 0.460 236 L N -0.239 121.020 121.223 0.061 0.000 2.465 236 L HA 0.044 4.384 4.340 -0.000 0.000 0.224 236 L C 1.256 178.187 176.870 0.101 0.000 1.145 236 L CA 0.538 55.422 54.840 0.074 0.000 0.834 236 L CB -0.387 41.716 42.059 0.073 0.000 0.944 236 L HN 0.136 nan 8.230 nan 0.000 0.451 237 G N 0.658 109.521 108.800 0.105 0.000 2.272 237 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.280 237 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.280 237 G C -0.147 174.861 174.900 0.180 0.000 1.067 237 G CA 0.097 45.277 45.100 0.133 0.000 0.902 237 G HN 0.123 nan 8.290 nan 0.000 0.500 238 V N 1.118 121.129 119.914 0.162 0.000 2.435 238 V HA 0.497 4.617 4.120 -0.000 0.000 0.290 238 V C 1.038 177.228 176.094 0.161 0.000 1.030 238 V CA -0.950 61.456 62.300 0.176 0.000 0.881 238 V CB 1.710 33.632 31.823 0.165 0.000 0.983 238 V HN 0.356 nan 8.190 nan 0.000 0.445 239 I N 5.533 126.177 120.570 0.122 0.000 2.598 239 I HA 0.130 4.300 4.170 -0.000 0.000 0.284 239 I C 0.132 176.347 176.117 0.163 0.000 1.140 239 I CA 0.404 61.755 61.300 0.086 0.000 1.420 239 I CB 0.376 38.349 38.000 -0.046 0.000 1.387 239 I HN 0.426 nan 8.210 nan 0.000 0.553 240 I N 5.898 126.581 120.570 0.189 0.000 2.416 240 I HA 0.064 4.234 4.170 -0.000 0.000 0.288 240 I C 0.086 176.332 176.117 0.215 0.000 1.051 240 I CA 0.092 61.555 61.300 0.272 0.000 1.375 240 I CB 0.518 38.708 38.000 0.317 0.000 1.407 240 I HN 0.525 nan 8.210 nan 0.000 0.516 241 D N 5.983 126.518 120.400 0.224 0.000 2.303 241 D HA 0.232 4.872 4.640 -0.000 0.000 0.236 241 D C 0.507 176.908 176.300 0.168 0.000 1.068 241 D CA -0.561 53.541 54.000 0.171 0.000 0.830 241 D CB 1.881 42.766 40.800 0.142 0.000 1.109 241 D HN 0.310 nan 8.370 nan 0.000 0.496 242 V N 1.199 121.184 119.914 0.118 0.000 3.647 242 V HA 0.286 4.405 4.120 -0.000 0.000 0.279 242 V C 0.659 176.765 176.094 0.019 0.000 1.314 242 V CA -0.271 62.072 62.300 0.073 0.000 1.125 242 V CB -0.373 31.471 31.823 0.035 0.000 0.907 242 V HN 0.345 nan 8.190 nan 0.000 0.434 243 S N 2.024 117.728 115.700 0.008 0.000 2.549 243 S HA 0.258 4.728 4.470 -0.000 0.000 0.286 243 S C 0.812 175.340 174.600 -0.119 0.000 1.314 243 S CA 0.556 58.679 58.200 -0.128 0.000 1.062 243 S CB 0.518 63.562 63.200 -0.260 0.000 0.865 243 S HN 0.774 nan 8.310 nan 0.000 0.498 244 Q N -0.893 118.798 119.800 -0.182 0.000 3.148 244 Q HA -0.177 4.163 4.340 -0.000 0.000 0.170 244 Q C -0.292 175.678 176.000 -0.050 0.000 0.743 244 Q CA 1.102 56.827 55.803 -0.130 0.000 1.127 244 Q CB -1.239 27.473 28.738 -0.044 0.000 0.919 244 Q HN 0.687 nan 8.270 nan 0.000 1.094 245 M N 2.121 121.710 119.600 -0.019 0.000 2.243 245 M HA 0.169 4.649 4.480 -0.000 0.000 0.341 245 M C 1.086 177.370 176.300 -0.026 0.000 1.130 245 M CA 0.350 55.652 55.300 0.003 0.000 1.162 245 M CB 0.872 33.472 32.600 -0.001 0.000 1.497 245 M HN 0.250 nan 8.290 nan 0.000 0.456 246 S N 1.542 117.235 115.700 -0.011 0.000 2.572 246 S HA 0.022 4.492 4.470 -0.000 0.000 0.267 246 S C 0.967 175.551 174.600 -0.026 0.000 1.361 246 S CA -0.098 58.091 58.200 -0.018 0.000 1.009 246 S CB 0.650 63.850 63.200 -0.000 0.000 0.888 246 S HN 0.748 nan 8.310 nan 0.000 0.553 247 T N 1.979 116.519 114.554 -0.023 0.000 2.746 247 T HA -0.093 4.256 4.350 -0.000 0.000 0.267 247 T C 1.718 176.414 174.700 -0.006 0.000 1.039 247 T CA 1.741 63.833 62.100 -0.013 0.000 1.142 247 T CB -0.381 68.483 68.868 -0.006 0.000 0.866 247 T HN 0.672 nan 8.240 nan 0.000 0.444 248 K N 0.929 121.325 120.400 -0.008 0.000 2.147 248 K HA 0.047 4.367 4.320 -0.000 0.000 0.205 248 K C 2.566 179.151 176.600 -0.025 0.000 1.049 248 K CA 1.107 57.389 56.287 -0.008 0.000 0.936 248 K CB -0.195 32.301 32.500 -0.006 0.000 0.722 248 K HN 0.280 nan 8.250 nan 0.000 0.446 249 A N 1.318 124.115 122.820 -0.038 0.000 1.897 249 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 249 A C 2.092 179.616 177.584 -0.099 0.000 1.181 249 A CA 0.826 52.815 52.037 -0.080 0.000 0.620 249 A CB -0.536 18.413 19.000 -0.085 0.000 0.821 249 A HN 0.273 nan 8.150 nan 0.000 0.443 250 L N -0.191 120.992 121.223 -0.066 0.000 2.013 250 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 250 L C 2.452 179.297 176.870 -0.040 0.000 1.073 250 L CA 2.297 57.106 54.840 -0.052 0.000 0.753 250 L CB -0.348 41.691 42.059 -0.034 0.000 0.890 250 L HN 0.511 nan 8.230 nan 0.000 0.432 251 E N -0.857 119.331 120.200 -0.020 0.000 2.110 251 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 251 E C 2.207 178.799 176.600 -0.014 0.000 0.988 251 E CA 1.544 57.945 56.400 0.001 0.000 0.804 251 E CB -0.069 29.650 29.700 0.032 0.000 0.745 251 E HN 0.650 nan 8.360 nan 0.000 0.458 252 Q N 0.073 119.854 119.800 -0.033 0.000 2.123 252 Q HA -0.099 4.241 4.340 -0.000 0.000 0.199 252 Q C 2.347 178.317 176.000 -0.050 0.000 0.966 252 Q CA 0.965 56.744 55.803 -0.041 0.000 0.845 252 Q CB 0.116 28.822 28.738 -0.054 0.000 0.907 252 Q HN 0.129 nan 8.270 nan 0.000 0.439 253 V N 1.123 120.991 119.914 -0.077 0.000 2.287 253 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 253 V C 2.293 178.380 176.094 -0.011 0.000 1.053 253 V CA 1.941 64.208 62.300 -0.055 0.000 1.027 253 V CB -1.009 30.773 31.823 -0.067 0.000 0.646 253 V HN 0.420 nan 8.190 nan 0.000 0.447 254 A N 0.030 122.840 122.820 -0.017 0.000 1.883 254 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 254 A C 2.405 179.986 177.584 -0.005 0.000 1.186 254 A CA 2.278 54.307 52.037 -0.012 0.000 0.624 254 A CB -0.888 18.094 19.000 -0.031 0.000 0.822 254 A HN 0.609 nan 8.150 nan 0.000 0.444 255 A N -0.983 121.834 122.820 -0.005 0.000 2.019 255 A HA 0.078 4.398 4.320 -0.000 0.000 0.219 255 A C 2.046 179.632 177.584 0.004 0.000 1.164 255 A CA 1.470 53.508 52.037 0.001 0.000 0.644 255 A CB -0.382 18.618 19.000 0.001 0.000 0.805 255 A HN 0.480 nan 8.150 nan 0.000 0.449 256 L N -1.436 119.790 121.223 0.005 0.000 2.515 256 L HA 0.125 4.465 4.340 -0.000 0.000 0.223 256 L C 1.218 178.105 176.870 0.028 0.000 1.079 256 L CA 0.075 54.922 54.840 0.013 0.000 0.857 256 L CB 0.117 42.182 42.059 0.009 0.000 1.050 256 L HN 0.288 nan 8.230 nan 0.000 0.476 257 S N 0.770 116.491 115.700 0.034 0.000 2.528 257 S HA 0.097 4.566 4.470 -0.000 0.000 0.277 257 S C 1.258 175.881 174.600 0.039 0.000 1.297 257 S CA -0.611 57.619 58.200 0.050 0.000 1.052 257 S CB 0.640 63.877 63.200 0.063 0.000 0.917 257 S HN 0.382 nan 8.310 nan 0.000 0.492 258 R N 2.959 123.484 120.500 0.042 0.000 2.310 258 R HA 0.463 4.803 4.340 -0.000 0.000 0.202 258 R C 0.333 176.656 176.300 0.038 0.000 0.933 258 R CA 0.036 56.157 56.100 0.035 0.000 1.054 258 R CB -0.000 30.319 30.300 0.032 0.000 0.985 258 R HN 0.420 nan 8.270 nan 0.000 0.489 259 A N 1.476 124.324 122.820 0.047 0.000 2.469 259 A HA 0.614 4.934 4.320 -0.000 0.000 0.299 259 A C -2.745 174.868 177.584 0.049 0.000 1.098 259 A CA -2.406 49.661 52.037 0.050 0.000 0.737 259 A CB 1.381 20.419 19.000 0.064 0.000 1.312 259 A HN -0.012 nan 8.150 nan 0.000 0.414 260 P HA 0.167 nan 4.420 nan 0.000 0.263 260 P C -0.500 176.826 177.300 0.045 0.000 1.175 260 P CA 0.634 63.758 63.100 0.040 0.000 0.761 260 P CB 0.100 31.818 31.700 0.031 0.000 0.794 261 I N -0.252 120.346 120.570 0.047 0.000 2.910 261 I HA 0.766 4.936 4.170 -0.000 0.000 0.310 261 I C -0.954 175.200 176.117 0.062 0.000 1.043 261 I CA -1.193 60.144 61.300 0.062 0.000 1.053 261 I CB 2.243 40.283 38.000 0.066 0.000 1.242 261 I HN -0.040 nan 8.210 nan 0.000 0.452 262 V N 2.422 122.387 119.914 0.085 0.000 2.876 262 V HA 0.742 4.862 4.120 -0.000 0.000 0.312 262 V C -0.164 176.001 176.094 0.118 0.000 1.085 262 V CA -0.601 61.766 62.300 0.112 0.000 0.945 262 V CB 1.939 33.849 31.823 0.146 0.000 1.017 262 V HN 0.966 nan 8.190 nan 0.000 0.428 263 A N 1.761 124.649 122.820 0.113 0.000 2.273 263 A HA 0.560 4.880 4.320 -0.000 0.000 0.320 263 A C 0.973 178.644 177.584 0.144 0.000 1.358 263 A CA 0.236 52.330 52.037 0.094 0.000 0.910 263 A CB 0.837 19.861 19.000 0.041 0.000 1.159 263 A HN 1.151 nan 8.150 nan 0.000 0.526 264 S N 1.479 117.304 115.700 0.207 0.000 2.453 264 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 264 S C 0.646 175.408 174.600 0.269 0.000 1.005 264 S CA 1.184 59.524 58.200 0.234 0.000 0.949 264 S CB -0.313 63.012 63.200 0.210 0.000 0.774 264 S HN 1.047 nan 8.310 nan 0.000 0.510 265 H N -1.012 118.065 119.070 0.013 0.000 3.093 265 H HA 0.703 5.259 4.556 -0.000 0.000 0.311 265 H C -1.535 173.809 175.328 0.027 0.000 1.294 265 H CA -0.915 55.139 56.048 0.011 0.000 1.628 265 H CB -0.248 29.509 29.762 -0.008 0.000 1.874 265 H HN 0.053 nan 8.280 nan 0.000 0.574 266 S N 0.975 116.686 115.700 0.017 0.000 2.588 266 S HA 0.934 5.404 4.470 -0.000 0.000 0.275 266 S C -0.561 174.053 174.600 0.024 0.000 1.130 266 S CA -0.187 57.982 58.200 -0.051 0.000 0.855 266 S CB 2.317 65.469 63.200 -0.081 0.000 1.116 266 S HN 0.979 nan 8.310 nan 0.000 0.472 267 A N 1.870 124.692 122.820 0.004 0.000 2.430 267 A HA 0.959 5.279 4.320 -0.000 0.000 0.300 267 A C -3.135 174.442 177.584 -0.012 0.000 1.124 267 A CA -2.156 49.905 52.037 0.039 0.000 0.766 267 A CB 0.813 19.881 19.000 0.114 0.000 1.328 267 A HN 0.480 nan 8.150 nan 0.000 0.424 268 P HA 0.279 nan 4.420 nan 0.000 0.275 268 P C 0.336 177.560 177.300 -0.127 0.000 1.227 268 P CA -0.350 62.719 63.100 -0.052 0.000 0.781 268 P CB 0.626 32.267 31.700 -0.100 0.000 0.906 269 R N 2.411 122.842 120.500 -0.114 0.000 2.189 269 R HA -0.090 4.250 4.340 -0.000 0.000 0.223 269 R C 1.862 178.058 176.300 -0.175 0.000 1.092 269 R CA 1.375 57.401 56.100 -0.122 0.000 0.989 269 R CB -0.828 29.422 30.300 -0.083 0.000 0.876 269 R HN 0.523 nan 8.270 nan 0.000 0.457 270 A N 0.991 123.621 122.820 -0.317 0.000 2.024 270 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 270 A C 2.005 179.397 177.584 -0.321 0.000 1.164 270 A CA 1.243 53.022 52.037 -0.429 0.000 0.643 270 A CB -0.197 18.167 19.000 -1.060 0.000 0.806 270 A HN 0.115 nan 8.150 nan 0.000 0.451 271 L N -1.542 119.516 121.223 -0.275 0.000 2.084 271 L HA 0.105 4.445 4.340 -0.000 0.000 0.202 271 L C 0.151 176.975 176.870 -0.077 0.000 1.074 271 L CA 1.045 55.800 54.840 -0.142 0.000 0.757 271 L CB -0.074 41.929 42.059 -0.093 0.000 0.918 271 L HN 0.104 nan 8.230 nan 0.000 0.444 272 V N -0.695 119.179 119.914 -0.066 0.000 2.569 272 V HA 0.238 4.358 4.120 -0.000 0.000 0.301 272 V C -1.283 174.774 176.094 -0.063 0.000 1.044 272 V CA -0.900 61.379 62.300 -0.035 0.000 0.874 272 V CB 1.837 33.673 31.823 0.022 0.000 1.002 272 V HN -0.005 nan 8.190 nan 0.000 0.424 273 D N 5.458 125.821 120.400 -0.062 0.000 2.522 273 D HA 0.450 5.090 4.640 -0.000 0.000 0.218 273 D C -0.283 175.967 176.300 -0.082 0.000 1.149 273 D CA 0.075 54.030 54.000 -0.074 0.000 0.981 273 D CB 0.051 40.812 40.800 -0.065 0.000 1.041 273 D HN 0.597 nan 8.370 nan 0.000 0.518 274 I N -1.506 119.003 120.570 -0.102 0.000 2.828 274 I HA 0.440 4.610 4.170 -0.000 0.000 0.302 274 I C 0.929 176.958 176.117 -0.146 0.000 1.101 274 I CA -1.082 60.145 61.300 -0.121 0.000 1.031 274 I CB 2.215 40.142 38.000 -0.121 0.000 1.231 274 I HN -0.228 nan 8.210 nan 0.000 0.427 275 K N 1.311 121.627 120.400 -0.140 0.000 2.147 275 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 275 K C 1.849 178.343 176.600 -0.176 0.000 1.049 275 K CA 1.240 57.449 56.287 -0.131 0.000 0.936 275 K CB -0.165 32.276 32.500 -0.099 0.000 0.722 275 K HN 0.495 nan 8.250 nan 0.000 0.446 276 R N 1.664 122.012 120.500 -0.254 0.000 2.159 276 R HA -0.036 4.304 4.340 -0.000 0.000 0.237 276 R C 0.146 176.189 176.300 -0.428 0.000 1.131 276 R CA 1.139 57.000 56.100 -0.398 0.000 0.982 276 R CB -0.400 29.529 30.300 -0.618 0.000 0.868 276 R HN 0.120 nan 8.270 nan 0.000 0.453 277 N N -0.411 118.085 118.700 -0.340 0.000 2.434 277 N HA 0.216 4.956 4.740 -0.000 0.000 0.266 277 N C -0.790 174.632 175.510 -0.147 0.000 1.223 277 N CA -0.390 52.512 53.050 -0.246 0.000 0.972 277 N CB 0.628 39.000 38.487 -0.193 0.000 1.207 277 N HN 0.028 nan 8.380 nan 0.000 0.525 278 L N 0.677 121.843 121.223 -0.094 0.000 2.292 278 L HA 0.322 4.662 4.340 -0.000 0.000 0.284 278 L C 0.817 177.682 176.870 -0.008 0.000 1.065 278 L CA -0.651 54.162 54.840 -0.045 0.000 0.806 278 L CB 1.055 43.102 42.059 -0.021 0.000 1.175 278 L HN 0.589 nan 8.230 nan 0.000 0.431 279 S N 0.249 115.954 115.700 0.009 0.000 2.614 279 S HA 0.101 4.571 4.470 -0.000 0.000 0.265 279 S C 0.539 175.187 174.600 0.080 0.000 1.303 279 S CA -0.753 57.474 58.200 0.044 0.000 1.000 279 S CB 1.221 64.453 63.200 0.053 0.000 0.935 279 S HN 0.590 nan 8.310 nan 0.000 0.551 280 D N 0.300 120.770 120.400 0.116 0.000 2.133 280 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 280 D C 1.641 177.987 176.300 0.077 0.000 0.997 280 D CA 1.755 55.823 54.000 0.113 0.000 0.840 280 D CB -0.589 40.281 40.800 0.116 0.000 0.947 280 D HN 0.830 nan 8.370 nan 0.000 0.452 281 H N 0.975 120.051 119.070 0.010 0.000 2.387 281 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 281 H C 1.646 176.968 175.328 -0.011 0.000 1.090 281 H CA 1.364 57.409 56.048 -0.005 0.000 1.332 281 H CB 0.367 30.125 29.762 -0.008 0.000 1.386 281 H HN 0.243 nan 8.280 nan 0.000 0.516 282 E N 0.134 120.312 120.200 -0.037 0.000 2.077 282 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 282 E C 2.518 179.056 176.600 -0.104 0.000 0.989 282 E CA 1.192 57.542 56.400 -0.083 0.000 0.800 282 E CB -0.009 29.681 29.700 -0.017 0.000 0.746 282 E HN 0.501 nan 8.360 nan 0.000 0.452 283 M N 0.467 120.032 119.600 -0.058 0.000 2.108 283 M HA -0.229 4.251 4.480 -0.000 0.000 0.261 283 M C 2.338 178.577 176.300 -0.101 0.000 1.066 283 M CA 1.315 56.587 55.300 -0.048 0.000 1.107 283 M CB -0.154 32.447 32.600 0.000 0.000 1.356 283 M HN 0.028 nan 8.290 nan 0.000 0.406 284 Q N 0.383 120.099 119.800 -0.140 0.000 2.084 284 Q HA -0.082 4.257 4.340 -0.000 0.000 0.202 284 Q C 2.134 178.013 176.000 -0.203 0.000 0.978 284 Q CA 1.438 57.139 55.803 -0.170 0.000 0.844 284 Q CB -0.602 28.039 28.738 -0.163 0.000 0.898 284 Q HN 0.585 nan 8.270 nan 0.000 0.426 285 L N -0.077 120.988 121.223 -0.262 0.000 2.042 285 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 285 L C 2.367 179.162 176.870 -0.124 0.000 1.076 285 L CA 1.010 55.727 54.840 -0.204 0.000 0.749 285 L CB -0.442 41.484 42.059 -0.222 0.000 0.893 285 L HN 0.187 nan 8.230 nan 0.000 0.432 286 I N -0.503 120.004 120.570 -0.105 0.000 2.233 286 I HA -0.273 3.896 4.170 -0.000 0.000 0.243 286 I C 2.726 178.789 176.117 -0.089 0.000 1.093 286 I CA 1.061 62.325 61.300 -0.059 0.000 1.380 286 I CB -0.342 37.644 38.000 -0.023 0.000 1.067 286 I HN 0.223 nan 8.210 nan 0.000 0.413 287 K N 1.061 121.361 120.400 -0.168 0.000 2.044 287 K HA -0.266 4.053 4.320 -0.000 0.000 0.210 287 K C 1.537 177.940 176.600 -0.327 0.000 1.049 287 K CA 2.223 58.277 56.287 -0.388 0.000 0.927 287 K CB -0.205 32.054 32.500 -0.402 0.000 0.713 287 K HN 0.231 nan 8.250 nan 0.000 0.443 288 D N 0.253 120.537 120.400 -0.193 0.000 2.263 288 D HA -0.104 4.536 4.640 -0.000 0.000 0.208 288 D C 1.851 178.111 176.300 -0.067 0.000 0.971 288 D CA 1.351 55.279 54.000 -0.121 0.000 0.867 288 D CB -0.067 40.676 40.800 -0.095 0.000 0.929 288 D HN 0.380 nan 8.370 nan 0.000 0.492 289 S N -0.833 114.835 115.700 -0.053 0.000 2.522 289 S HA 0.148 4.618 4.470 -0.000 0.000 0.227 289 S C 1.743 176.355 174.600 0.020 0.000 0.986 289 S CA 0.863 59.057 58.200 -0.010 0.000 0.929 289 S CB 0.151 63.352 63.200 0.002 0.000 0.769 289 S HN 0.297 nan 8.310 nan 0.000 0.529 290 G N -0.077 108.740 108.800 0.029 0.000 2.141 290 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.231 290 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.231 290 G C 0.422 175.436 174.900 0.189 0.000 0.984 290 G CA -0.047 45.136 45.100 0.139 0.000 0.660 290 G HN 1.029 nan 8.290 nan 0.000 0.525 291 G N -1.450 107.435 108.800 0.141 0.000 2.543 291 G HA2 0.771 4.731 3.960 -0.000 0.000 0.267 291 G HA3 0.771 4.731 3.960 -0.000 0.000 0.267 291 G C -0.517 174.509 174.900 0.209 0.000 1.406 291 G CA 0.020 45.197 45.100 0.128 0.000 1.048 291 G HN 1.101 nan 8.290 nan 0.000 0.548 292 V N -0.219 119.781 119.914 0.143 0.000 2.888 292 V HA 0.377 4.497 4.120 -0.000 0.000 0.309 292 V C -0.832 175.345 176.094 0.138 0.000 1.114 292 V CA -0.453 61.944 62.300 0.162 0.000 0.940 292 V CB 1.988 33.913 31.823 0.170 0.000 1.021 292 V HN 0.569 nan 8.190 nan 0.000 0.426 293 I N 3.770 124.412 120.570 0.119 0.000 2.306 293 I HA 0.330 4.500 4.170 -0.000 0.000 0.288 293 I C 0.064 176.231 176.117 0.083 0.000 1.036 293 I CA -0.177 61.176 61.300 0.089 0.000 1.221 293 I CB 1.141 39.182 38.000 0.067 0.000 1.385 293 I HN 0.524 nan 8.210 nan 0.000 0.472 294 Q N 6.205 126.061 119.800 0.095 0.000 2.406 294 Q HA 0.273 4.613 4.340 -0.000 0.000 0.242 294 Q C -0.453 175.573 176.000 0.043 0.000 1.036 294 Q CA -0.481 55.361 55.803 0.066 0.000 0.904 294 Q CB 1.696 30.487 28.738 0.089 0.000 1.244 294 Q HN 0.402 nan 8.270 nan 0.000 0.478 295 V N 3.191 123.110 119.914 0.009 0.000 2.521 295 V HA 0.036 4.156 4.120 -0.000 0.000 0.286 295 V C 0.415 176.535 176.094 0.042 0.000 1.034 295 V CA -0.154 62.160 62.300 0.024 0.000 1.045 295 V CB 1.163 32.984 31.823 -0.002 0.000 0.974 295 V HN 0.442 nan 8.190 nan 0.000 0.480 296 V N 5.210 125.181 119.914 0.095 0.000 2.439 296 V HA 0.630 4.750 4.120 -0.000 0.000 0.282 296 V C 1.121 177.288 176.094 0.122 0.000 1.039 296 V CA 0.041 62.412 62.300 0.118 0.000 0.913 296 V CB 1.622 33.557 31.823 0.187 0.000 0.983 296 V HN 0.976 nan 8.190 nan 0.000 0.460 297 G N 5.796 114.645 108.800 0.082 0.000 3.284 297 G HA2 0.092 4.052 3.960 -0.000 0.000 0.251 297 G HA3 0.092 4.052 3.960 -0.000 0.000 0.251 297 G C -0.317 174.522 174.900 -0.102 0.000 0.913 297 G CA -0.120 45.005 45.100 0.043 0.000 1.947 297 G HN 0.599 nan 8.290 nan 0.000 0.635 298 F N 1.908 121.748 119.950 -0.183 0.000 2.334 298 F HA 0.366 4.893 4.527 -0.000 0.000 0.367 298 F C -1.201 174.420 175.800 -0.299 0.000 1.115 298 F CA -2.570 55.212 58.000 -0.364 0.000 1.116 298 F CB 2.215 40.779 39.000 -0.728 0.000 1.230 298 F HN 0.062 nan 8.300 nan 0.000 0.484 299 P HA -0.273 nan 4.420 nan 0.000 0.215 299 P C 1.262 178.534 177.300 -0.047 0.000 1.163 299 P CA 2.129 65.109 63.100 -0.200 0.000 0.894 299 P CB -0.016 31.526 31.700 -0.264 0.000 0.791 300 A N -1.883 120.929 122.820 -0.013 0.000 2.172 300 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 300 A C 1.431 179.202 177.584 0.312 0.000 1.154 300 A CA 0.946 53.077 52.037 0.156 0.000 0.701 300 A CB -1.384 17.746 19.000 0.217 0.000 0.789 300 A HN 0.139 nan 8.150 nan 0.000 0.465 301 Y N -1.101 119.335 120.300 0.225 0.000 2.466 301 Y HA 0.316 4.866 4.550 -0.000 0.000 0.272 301 Y C 1.540 177.469 175.900 0.049 0.000 1.169 301 Y CA -0.348 57.809 58.100 0.096 0.000 1.285 301 Y CB -0.354 38.143 38.460 0.062 0.000 1.078 301 Y HN 0.229 nan 8.280 nan 0.000 0.523 302 L N -1.250 120.083 121.223 0.183 0.000 2.577 302 L HA 0.258 4.597 4.340 -0.000 0.000 0.225 302 L C 0.892 177.795 176.870 0.055 0.000 1.053 302 L CA 0.136 55.034 54.840 0.097 0.000 0.866 302 L CB 0.636 42.743 42.059 0.080 0.000 1.132 302 L HN -0.221 nan 8.230 nan 0.000 0.486 303 R N 1.316 121.847 120.500 0.053 0.000 2.513 303 R HA 0.389 4.729 4.340 -0.000 0.000 0.301 303 R C -2.674 173.647 176.300 0.035 0.000 0.968 303 R CA -1.798 54.320 56.100 0.030 0.000 0.872 303 R CB 1.943 32.254 30.300 0.017 0.000 1.177 303 R HN -0.232 nan 8.270 nan 0.000 0.444 304 P HA -0.002 nan 4.420 nan 0.000 0.266 304 P C -0.356 176.955 177.300 0.017 0.000 1.195 304 P CA 0.004 63.116 63.100 0.019 0.000 0.768 304 P CB 0.488 32.191 31.700 0.004 0.000 0.838 305 L N 1.677 122.913 121.223 0.020 0.000 2.540 305 L HA 0.010 4.350 4.340 -0.000 0.000 0.276 305 L C 1.260 178.134 176.870 0.006 0.000 1.212 305 L CA 0.051 54.900 54.840 0.014 0.000 0.893 305 L CB -0.239 41.829 42.059 0.016 0.000 1.138 305 L HN 0.503 nan 8.230 nan 0.000 0.491 306 S N 1.999 117.700 115.700 0.003 0.000 2.579 306 S HA 0.034 4.504 4.470 -0.000 0.000 0.275 306 S C 0.912 175.513 174.600 0.001 0.000 1.345 306 S CA -0.682 57.518 58.200 0.000 0.000 1.031 306 S CB 1.372 64.570 63.200 -0.003 0.000 0.892 306 S HN 0.607 nan 8.310 nan 0.000 0.529 307 K N 2.228 122.629 120.400 0.001 0.000 2.074 307 K HA -0.005 4.315 4.320 -0.000 0.000 0.209 307 K C -1.029 175.573 176.600 0.003 0.000 1.048 307 K CA 1.403 57.691 56.287 0.003 0.000 0.926 307 K CB -1.674 30.827 32.500 0.003 0.000 0.713 307 K HN 0.529 nan 8.250 nan 0.000 0.444 308 P HA -0.098 nan 4.420 nan 0.000 0.218 308 P C 0.820 178.119 177.300 -0.001 0.000 1.148 308 P CA 1.428 64.528 63.100 -0.000 0.000 0.822 308 P CB 0.013 31.711 31.700 -0.003 0.000 0.784 309 T N -0.705 113.847 114.554 -0.003 0.000 2.809 309 T HA -0.001 4.349 4.350 -0.000 0.000 0.260 309 T C 1.720 176.420 174.700 -0.001 0.000 1.039 309 T CA 0.846 62.943 62.100 -0.005 0.000 1.141 309 T CB -0.826 68.038 68.868 -0.007 0.000 0.869 309 T HN 0.035 nan 8.240 nan 0.000 0.437 310 L N 1.148 122.373 121.223 0.005 0.000 2.012 310 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 310 L C 2.494 179.374 176.870 0.017 0.000 1.073 310 L CA 1.292 56.139 54.840 0.011 0.000 0.748 310 L CB -0.728 41.338 42.059 0.011 0.000 0.891 310 L HN 0.181 nan 8.230 nan 0.000 0.431 311 D N 0.315 120.724 120.400 0.014 0.000 2.104 311 D HA -0.180 4.460 4.640 -0.000 0.000 0.194 311 D C 2.214 178.527 176.300 0.021 0.000 0.994 311 D CA 1.271 55.281 54.000 0.018 0.000 0.830 311 D CB -0.109 40.699 40.800 0.012 0.000 0.959 311 D HN 0.280 nan 8.370 nan 0.000 0.452 312 K N 0.145 120.553 120.400 0.013 0.000 2.032 312 K HA -0.098 4.222 4.320 -0.000 0.000 0.209 312 K C 2.378 178.990 176.600 0.020 0.000 1.048 312 K CA 0.690 56.984 56.287 0.012 0.000 0.927 312 K CB -0.246 32.253 32.500 -0.002 0.000 0.712 312 K HN 0.144 nan 8.250 nan 0.000 0.441 313 L N 1.005 122.236 121.223 0.013 0.000 2.046 313 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 313 L C 2.007 178.920 176.870 0.072 0.000 1.077 313 L CA 1.131 55.985 54.840 0.023 0.000 0.747 313 L CB -0.432 41.634 42.059 0.012 0.000 0.896 313 L HN 0.153 nan 8.230 nan 0.000 0.432 314 D N 0.096 120.535 120.400 0.065 0.000 2.117 314 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 314 D C 2.232 178.587 176.300 0.091 0.000 0.987 314 D CA 1.494 55.542 54.000 0.079 0.000 0.829 314 D CB -0.044 40.791 40.800 0.057 0.000 0.961 314 D HN 0.318 nan 8.370 nan 0.000 0.460 315 A N 0.568 123.433 122.820 0.075 0.000 1.902 315 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 315 A C 2.172 179.830 177.584 0.123 0.000 1.181 315 A CA 1.132 53.216 52.037 0.078 0.000 0.623 315 A CB -0.674 18.358 19.000 0.054 0.000 0.818 315 A HN 0.284 nan 8.150 nan 0.000 0.443 316 L N -0.388 120.926 121.223 0.150 0.000 2.056 316 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 316 L C 2.396 179.511 176.870 0.407 0.000 1.078 316 L CA 1.873 56.868 54.840 0.258 0.000 0.749 316 L CB -0.519 41.640 42.059 0.167 0.000 0.901 316 L HN 0.324 nan 8.230 nan 0.000 0.433 317 R N -0.307 120.386 120.500 0.322 0.000 2.080 317 R HA -0.137 4.203 4.340 -0.000 0.000 0.236 317 R C 2.329 178.782 176.300 0.255 0.000 1.137 317 R CA 1.444 57.738 56.100 0.323 0.000 0.943 317 R CB -0.826 29.610 30.300 0.226 0.000 0.846 317 R HN 0.550 nan 8.270 nan 0.000 0.431 318 A N 2.084 125.010 122.820 0.175 0.000 1.927 318 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 318 A C 2.052 179.689 177.584 0.089 0.000 1.185 318 A CA 2.062 54.167 52.037 0.115 0.000 0.639 318 A CB -0.640 18.407 19.000 0.079 0.000 0.820 318 A HN 0.468 nan 8.150 nan 0.000 0.451 319 R N -2.366 118.197 120.500 0.104 0.000 2.280 319 R HA 0.103 4.443 4.340 -0.000 0.000 0.207 319 R C 0.452 176.613 176.300 -0.231 0.000 1.043 319 R CA 1.098 57.167 56.100 -0.051 0.000 1.006 319 R CB -0.396 29.845 30.300 -0.098 0.000 0.885 319 R HN 0.446 nan 8.270 nan 0.000 0.467 320 F N 1.592 121.545 119.950 0.004 0.000 2.647 320 F HA 0.243 4.770 4.527 -0.000 0.000 0.300 320 F C -0.187 175.598 175.800 -0.026 0.000 1.106 320 F CA -0.474 57.472 58.000 -0.090 0.000 1.313 320 F CB 0.502 39.429 39.000 -0.121 0.000 1.007 320 F HN -0.033 nan 8.300 nan 0.000 0.536 321 D N 1.117 121.587 120.400 0.117 0.000 2.907 321 D HA -0.181 4.459 4.640 -0.000 0.000 0.226 321 D C -0.386 176.002 176.300 0.148 0.000 1.141 321 D CA 0.707 54.768 54.000 0.101 0.000 0.779 321 D CB -1.365 39.473 40.800 0.064 0.000 1.095 321 D HN 0.257 nan 8.370 nan 0.000 0.430 322 L N 0.346 121.668 121.223 0.166 0.000 2.331 322 L HA 0.535 4.874 4.340 -0.000 0.000 0.275 322 L C -1.736 175.201 176.870 0.111 0.000 1.022 322 L CA -1.702 53.217 54.840 0.131 0.000 0.812 322 L CB 1.593 43.721 42.059 0.115 0.000 1.257 322 L HN -0.239 nan 8.230 nan 0.000 0.435 323 P HA 0.310 nan 4.420 nan 0.000 0.276 323 P C -2.711 174.641 177.300 0.088 0.000 1.261 323 P CA -1.813 61.335 63.100 0.080 0.000 0.800 323 P CB -0.180 31.561 31.700 0.069 0.000 1.066 324 P HA 0.126 nan 4.420 nan 0.000 0.269 324 P C 0.012 177.354 177.300 0.070 0.000 1.209 324 P CA 0.078 63.219 63.100 0.068 0.000 0.776 324 P CB 0.202 31.931 31.700 0.049 0.000 0.876 325 L N 2.383 123.650 121.223 0.072 0.000 2.559 325 L HA -0.041 4.299 4.340 -0.000 0.000 0.282 325 L C 0.872 177.758 176.870 0.027 0.000 1.232 325 L CA 0.979 55.857 54.840 0.064 0.000 0.885 325 L CB -0.135 41.957 42.059 0.056 0.000 1.131 325 L HN 0.406 nan 8.230 nan 0.000 0.498 326 E N 2.135 122.335 120.200 -0.000 0.000 2.255 326 E HA 0.522 4.872 4.350 -0.000 0.000 0.245 326 E C 0.054 176.606 176.600 -0.080 0.000 0.909 326 E CA 0.124 56.504 56.400 -0.033 0.000 0.747 326 E CB 1.375 31.054 29.700 -0.035 0.000 1.215 326 E HN 0.745 nan 8.360 nan 0.000 0.424 327 G N 1.265 110.027 108.800 -0.063 0.000 2.756 327 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.678 327 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.678 327 G C 0.164 175.014 174.900 -0.083 0.000 1.349 327 G CA -0.604 44.446 45.100 -0.084 0.000 0.847 327 G HN 0.459 nan 8.290 nan 0.000 0.548 328 L N 0.194 121.371 121.223 -0.077 0.000 2.585 328 L HA 0.167 4.507 4.340 -0.000 0.000 0.226 328 L C 2.081 178.929 176.870 -0.037 0.000 1.113 328 L CA 0.253 55.071 54.840 -0.037 0.000 0.876 328 L CB -0.131 41.922 42.059 -0.011 0.000 1.072 328 L HN 0.576 nan 8.230 nan 0.000 0.468 329 D N 0.329 120.657 120.400 -0.120 0.000 2.149 329 D HA -0.194 4.446 4.640 -0.000 0.000 0.198 329 D C 1.433 177.792 176.300 0.099 0.000 0.990 329 D CA 1.657 55.601 54.000 -0.093 0.000 0.839 329 D CB 0.077 40.732 40.800 -0.242 0.000 0.948 329 D HN 0.320 nan 8.370 nan 0.000 0.460 330 Y N 0.110 120.405 120.300 -0.008 0.000 2.466 330 Y HA 0.385 4.935 4.550 -0.000 0.000 0.272 330 Y C 1.948 177.847 175.900 -0.001 0.000 1.169 330 Y CA -0.825 57.274 58.100 -0.001 0.000 1.285 330 Y CB -0.538 37.924 38.460 0.003 0.000 1.078 330 Y HN -0.104 nan 8.280 nan 0.000 0.523 331 A N -0.346 122.548 122.820 0.124 0.000 1.935 331 A HA 0.068 4.388 4.320 -0.000 0.000 0.214 331 A C 1.898 179.488 177.584 0.011 0.000 1.178 331 A CA 0.788 52.857 52.037 0.053 0.000 0.640 331 A CB -0.549 18.473 19.000 0.036 0.000 0.825 331 A HN 0.389 nan 8.150 nan 0.000 0.447 332 L N -0.861 120.393 121.223 0.051 0.000 2.567 332 L HA 0.286 4.626 4.340 -0.000 0.000 0.225 332 L C 0.530 177.443 176.870 0.072 0.000 1.119 332 L CA 0.141 55.029 54.840 0.080 0.000 0.871 332 L CB -0.257 41.889 42.059 0.145 0.000 1.036 332 L HN 0.660 nan 8.230 nan 0.000 0.459 333 M N -2.957 116.656 119.600 0.022 0.000 2.562 333 M HA 0.451 4.931 4.480 -0.000 0.000 0.281 333 M C -2.890 173.404 176.300 -0.009 0.000 1.195 333 M CA -1.537 53.774 55.300 0.018 0.000 0.888 333 M CB 1.989 34.675 32.600 0.143 0.000 1.731 333 M HN -0.371 nan 8.290 nan 0.000 0.493 334 P HA 0.153 nan 4.420 nan 0.000 0.259 334 P C 0.275 177.571 177.300 -0.006 0.000 1.635 334 P CA 0.335 63.480 63.100 0.075 0.000 1.199 334 P CB -0.121 31.669 31.700 0.151 0.000 1.850 335 G N 1.979 110.689 108.800 -0.151 0.000 3.044 335 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.223 335 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.223 335 G C 0.021 174.379 174.900 -0.902 0.000 1.123 335 G CA -0.170 44.733 45.100 -0.328 0.000 0.765 335 G HN 0.297 nan 8.290 nan 0.000 0.546 336 D N 1.638 121.427 120.400 -1.018 0.000 2.472 336 D HA 0.217 4.857 4.640 -0.000 0.000 0.248 336 D C -1.372 174.590 176.300 -0.562 0.000 1.174 336 D CA -0.843 52.594 54.000 -0.938 0.000 0.883 336 D CB 1.693 42.144 40.800 -0.582 0.000 1.149 336 D HN 0.022 nan 8.370 nan 0.000 0.488 337 P HA -0.189 nan 4.420 nan 0.000 0.216 337 P C 1.407 178.564 177.300 -0.239 0.000 1.153 337 P CA 0.502 63.462 63.100 -0.232 0.000 0.858 337 P CB 0.148 31.779 31.700 -0.115 0.000 0.789 338 I N -0.869 119.558 120.570 -0.238 0.000 2.530 338 I HA -0.188 3.982 4.170 -0.000 0.000 0.257 338 I C 1.803 177.677 176.117 -0.405 0.000 1.179 338 I CA 1.104 62.279 61.300 -0.210 0.000 1.440 338 I CB -0.727 37.212 38.000 -0.102 0.000 1.087 338 I HN -0.133 nan 8.210 nan 0.000 0.440 339 I N -0.410 119.748 120.570 -0.686 0.000 2.530 339 I HA -0.313 3.857 4.170 -0.000 0.000 0.257 339 I C 2.356 178.155 176.117 -0.529 0.000 1.179 339 I CA 1.539 62.160 61.300 -1.132 0.000 1.440 339 I CB -0.712 36.692 38.000 -0.995 0.000 1.087 339 I HN 0.275 nan 8.210 nan 0.000 0.440 340 T N 1.243 115.608 114.554 -0.315 0.000 2.849 340 T HA -0.139 4.211 4.350 -0.000 0.000 0.270 340 T C 1.669 176.312 174.700 -0.095 0.000 1.066 340 T CA 1.398 63.384 62.100 -0.189 0.000 1.130 340 T CB -0.317 68.460 68.868 -0.151 0.000 0.864 340 T HN 0.591 nan 8.240 nan 0.000 0.481 341 I N -2.969 117.580 120.570 -0.034 0.000 3.578 341 I HA 0.305 4.475 4.170 -0.000 0.000 0.295 341 I C 0.047 176.320 176.117 0.260 0.000 1.280 341 I CA -0.734 60.619 61.300 0.089 0.000 1.347 341 I CB -0.192 37.866 38.000 0.097 0.000 1.051 341 I HN 0.025 nan 8.210 nan 0.000 0.460 342 W N 3.827 125.145 121.300 0.030 0.000 2.181 342 W HA 0.335 4.995 4.660 -0.000 0.000 0.335 342 W C -2.062 174.508 176.519 0.086 0.000 1.310 342 W CA -2.216 55.178 57.345 0.081 0.000 1.226 342 W CB -0.694 28.856 29.460 0.150 0.000 1.155 342 W HN -0.031 nan 8.180 nan 0.000 0.565 343 P HA 0.013 nan 4.420 nan 0.000 0.269 343 P C 0.659 178.124 177.300 0.276 0.000 1.215 343 P CA 0.050 63.266 63.100 0.192 0.000 0.780 343 P CB 0.775 32.544 31.700 0.115 0.000 0.898 344 E N 0.517 120.854 120.200 0.228 0.000 2.097 344 E HA -0.286 4.064 4.350 -0.000 0.000 0.196 344 E C 1.746 178.516 176.600 0.284 0.000 1.000 344 E CA 0.964 57.547 56.400 0.306 0.000 0.804 344 E CB -0.173 29.640 29.700 0.187 0.000 0.740 344 E HN 0.483 nan 8.360 nan 0.000 0.454 345 Q N 1.322 121.236 119.800 0.190 0.000 2.135 345 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 345 Q C 2.069 178.189 176.000 0.200 0.000 0.981 345 Q CA 1.523 57.422 55.803 0.160 0.000 0.856 345 Q CB -0.116 28.686 28.738 0.108 0.000 0.902 345 Q HN 0.196 nan 8.270 nan 0.000 0.425 346 R N -0.960 119.667 120.500 0.212 0.000 2.073 346 R HA -0.116 4.224 4.340 -0.000 0.000 0.229 346 R C 2.302 178.802 176.300 0.333 0.000 1.120 346 R CA 1.170 57.382 56.100 0.186 0.000 0.967 346 R CB -0.440 29.844 30.300 -0.027 0.000 0.862 346 R HN 0.264 nan 8.270 nan 0.000 0.436 347 F N 0.793 120.977 119.950 0.390 0.000 2.069 347 F HA -0.058 4.469 4.527 -0.000 0.000 0.298 347 F C 2.057 178.017 175.800 0.267 0.000 1.113 347 F CA 2.021 60.287 58.000 0.444 0.000 1.214 347 F CB -0.914 38.287 39.000 0.334 0.000 0.978 347 F HN 0.106 nan 8.300 nan 0.000 0.474 348 G N -0.222 108.722 108.800 0.240 0.000 2.513 348 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.219 348 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.219 348 G C 1.608 176.611 174.900 0.173 0.000 1.160 348 G CA 1.157 46.407 45.100 0.250 0.000 0.767 348 G HN 0.479 nan 8.290 nan 0.000 0.571 349 E N -0.884 119.410 120.200 0.156 0.000 2.051 349 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 349 E C 2.117 178.716 176.600 -0.001 0.000 0.991 349 E CA 1.110 57.595 56.400 0.143 0.000 0.799 349 E CB -0.239 29.626 29.700 0.276 0.000 0.748 349 E HN 0.583 nan 8.360 nan 0.000 0.449 350 Y N 1.069 121.163 120.300 -0.344 0.000 2.109 350 Y HA -0.210 4.340 4.550 -0.000 0.000 0.285 350 Y C 2.183 177.815 175.900 -0.447 0.000 1.131 350 Y CA 1.595 59.267 58.100 -0.714 0.000 1.121 350 Y CB -0.655 37.294 38.460 -0.851 0.000 0.987 350 Y HN 0.002 nan 8.280 nan 0.000 0.495 351 A N -0.108 122.387 122.820 -0.541 0.000 1.884 351 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 351 A C 2.405 179.828 177.584 -0.268 0.000 1.197 351 A CA 2.718 54.443 52.037 -0.519 0.000 0.637 351 A CB -1.444 17.253 19.000 -0.504 0.000 0.827 351 A HN 0.570 nan 8.150 nan 0.000 0.450 352 S N -0.153 115.463 115.700 -0.139 0.000 2.359 352 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 352 S C 2.323 176.837 174.600 -0.143 0.000 1.035 352 S CA 1.484 59.614 58.200 -0.117 0.000 1.018 352 S CB -0.654 62.497 63.200 -0.082 0.000 0.876 352 S HN 0.886 nan 8.310 nan 0.000 0.448 353 A N 1.281 123.986 122.820 -0.191 0.000 1.902 353 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 353 A C 2.172 179.592 177.584 -0.275 0.000 1.181 353 A CA 1.452 53.378 52.037 -0.184 0.000 0.623 353 A CB -0.742 18.182 19.000 -0.127 0.000 0.818 353 A HN 0.460 nan 8.150 nan 0.000 0.443 354 L N -1.903 119.015 121.223 -0.508 0.000 1.994 354 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 354 L C 2.414 179.047 176.870 -0.394 0.000 1.071 354 L CA 1.905 56.399 54.840 -0.577 0.000 0.745 354 L CB -0.421 41.074 42.059 -0.941 0.000 0.892 354 L HN 0.434 nan 8.230 nan 0.000 0.431 355 Y N 0.309 120.474 120.300 -0.226 0.000 2.352 355 Y HA -0.071 4.478 4.550 -0.000 0.000 0.292 355 Y C 2.467 178.282 175.900 -0.141 0.000 1.136 355 Y CA 0.994 58.997 58.100 -0.163 0.000 1.227 355 Y CB -1.185 37.171 38.460 -0.173 0.000 0.991 355 Y HN 0.271 nan 8.280 nan 0.000 0.545 356 G N -0.126 108.663 108.800 -0.018 0.000 2.402 356 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 356 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 356 G C 1.742 176.617 174.900 -0.043 0.000 1.162 356 G CA 0.989 46.066 45.100 -0.039 0.000 0.777 356 G HN 0.398 nan 8.290 nan 0.000 0.539 357 I N 0.420 120.951 120.570 -0.064 0.000 2.226 357 I HA -0.109 4.061 4.170 -0.000 0.000 0.245 357 I C 2.657 178.749 176.117 -0.042 0.000 1.100 357 I CA 0.616 61.882 61.300 -0.057 0.000 1.374 357 I CB -0.116 37.838 38.000 -0.077 0.000 1.057 357 I HN 0.121 nan 8.210 nan 0.000 0.413 358 L N 0.053 121.255 121.223 -0.036 0.000 2.083 358 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 358 L C 2.340 179.205 176.870 -0.009 0.000 1.083 358 L CA 1.318 56.156 54.840 -0.004 0.000 0.752 358 L CB -0.557 41.533 42.059 0.052 0.000 0.899 358 L HN 0.208 nan 8.230 nan 0.000 0.433 359 E N 0.177 120.370 120.200 -0.011 0.000 2.267 359 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 359 E C 1.805 178.379 176.600 -0.043 0.000 0.998 359 E CA 0.957 57.335 56.400 -0.037 0.000 0.830 359 E CB 0.099 29.773 29.700 -0.042 0.000 0.751 359 E HN 0.481 nan 8.360 nan 0.000 0.491 360 E N 0.296 120.475 120.200 -0.036 0.000 2.442 360 E HA -0.045 4.305 4.350 -0.000 0.000 0.195 360 E C 0.157 176.738 176.600 -0.031 0.000 1.030 360 E CA -0.082 56.298 56.400 -0.034 0.000 0.869 360 E CB 0.229 29.912 29.700 -0.029 0.000 0.857 360 E HN 0.072 nan 8.360 nan 0.000 0.505 361 E N 2.670 122.851 120.200 -0.031 0.000 2.415 361 E HA 0.008 4.358 4.350 -0.000 0.000 0.260 361 E C -2.381 174.198 176.600 -0.036 0.000 1.016 361 E CA -1.875 54.508 56.400 -0.028 0.000 0.924 361 E CB 0.361 30.047 29.700 -0.023 0.000 0.961 361 E HN -0.197 nan 8.360 nan 0.000 0.459 362 P HA -0.072 nan 4.420 nan 0.000 0.261 362 P C -0.847 176.430 177.300 -0.037 0.000 1.173 362 P CA 0.405 63.487 63.100 -0.031 0.000 0.760 362 P CB 0.403 32.091 31.700 -0.021 0.000 0.783 363 K N 2.454 122.826 120.400 -0.047 0.000 2.368 363 K HA 0.354 4.674 4.320 -0.000 0.000 0.282 363 K C 0.545 177.123 176.600 -0.037 0.000 1.035 363 K CA -0.384 55.867 56.287 -0.060 0.000 0.973 363 K CB 0.473 32.931 32.500 -0.072 0.000 0.957 363 K HN 0.528 nan 8.250 nan 0.000 0.474 364 A N 2.532 125.330 122.820 -0.037 0.000 2.536 364 A HA 0.272 4.592 4.320 -0.000 0.000 0.234 364 A C 0.587 178.175 177.584 0.006 0.000 1.076 364 A CA 0.647 52.677 52.037 -0.011 0.000 0.769 364 A CB 0.157 19.153 19.000 -0.007 0.000 1.020 364 A HN 0.844 nan 8.150 nan 0.000 0.508 365 G N -1.253 107.565 108.800 0.031 0.000 3.175 365 G HA2 0.469 4.429 3.960 -0.000 0.000 0.255 365 G HA3 0.469 4.429 3.960 -0.000 0.000 0.255 365 G C 0.577 175.531 174.900 0.089 0.000 1.352 365 G CA -0.505 44.631 45.100 0.059 0.000 1.037 365 G HN 0.611 nan 8.290 nan 0.000 0.556 366 L N -0.087 121.206 121.223 0.116 0.000 2.191 366 L HA -0.024 4.316 4.340 -0.000 0.000 0.212 366 L C 2.869 179.797 176.870 0.097 0.000 1.103 366 L CA 1.281 56.197 54.840 0.126 0.000 0.769 366 L CB -0.137 42.029 42.059 0.178 0.000 0.908 366 L HN 0.630 nan 8.230 nan 0.000 0.438 367 K N 0.720 121.171 120.400 0.085 0.000 2.009 367 K HA -0.245 4.075 4.320 -0.000 0.000 0.210 367 K C 1.919 178.555 176.600 0.062 0.000 1.049 367 K CA 1.888 58.218 56.287 0.071 0.000 0.929 367 K CB 0.065 32.597 32.500 0.052 0.000 0.714 367 K HN 0.191 nan 8.250 nan 0.000 0.440 368 E N 0.830 121.063 120.200 0.054 0.000 2.077 368 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 368 E C 1.816 178.448 176.600 0.053 0.000 0.989 368 E CA 1.005 57.434 56.400 0.048 0.000 0.800 368 E CB -0.216 29.509 29.700 0.041 0.000 0.746 368 E HN 0.216 nan 8.360 nan 0.000 0.452 369 L N 0.194 121.453 121.223 0.061 0.000 2.012 369 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 369 L C 2.001 178.882 176.870 0.019 0.000 1.073 369 L CA 1.596 56.468 54.840 0.054 0.000 0.748 369 L CB -0.395 41.712 42.059 0.080 0.000 0.891 369 L HN 0.035 nan 8.230 nan 0.000 0.431 370 V N -0.476 119.449 119.914 0.018 0.000 2.719 370 V HA -0.173 3.947 4.120 -0.000 0.000 0.252 370 V C 2.187 178.320 176.094 0.064 0.000 1.065 370 V CA 1.343 63.648 62.300 0.007 0.000 1.086 370 V CB -0.755 31.075 31.823 0.010 0.000 0.700 370 V HN 0.402 nan 8.190 nan 0.000 0.467 371 D N 1.151 121.595 120.400 0.074 0.000 2.116 371 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 371 D C 2.254 178.621 176.300 0.112 0.000 0.998 371 D CA 1.870 55.925 54.000 0.092 0.000 0.836 371 D CB -0.320 40.520 40.800 0.067 0.000 0.951 371 D HN 0.441 nan 8.370 nan 0.000 0.449 372 A N 0.553 123.422 122.820 0.081 0.000 1.902 372 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 372 A C 2.427 180.079 177.584 0.112 0.000 1.181 372 A CA 0.980 53.072 52.037 0.092 0.000 0.623 372 A CB -0.717 18.320 19.000 0.062 0.000 0.818 372 A HN 0.218 nan 8.150 nan 0.000 0.443 373 I N -0.150 120.452 120.570 0.053 0.000 2.163 373 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 373 I C 2.014 178.194 176.117 0.106 0.000 1.085 373 I CA 1.639 62.950 61.300 0.018 0.000 1.347 373 I CB -0.592 37.336 38.000 -0.120 0.000 1.044 373 I HN 0.240 nan 8.210 nan 0.000 0.408 374 D N 0.191 120.688 120.400 0.161 0.000 2.104 374 D HA -0.257 4.383 4.640 -0.000 0.000 0.194 374 D C 1.962 178.355 176.300 0.155 0.000 0.994 374 D CA 1.507 55.629 54.000 0.203 0.000 0.830 374 D CB -0.469 40.439 40.800 0.181 0.000 0.959 374 D HN 0.358 nan 8.370 nan 0.000 0.452 375 Y N 1.291 121.626 120.300 0.057 0.000 2.181 375 Y HA -0.237 4.313 4.550 -0.000 0.000 0.288 375 Y C 2.362 178.285 175.900 0.037 0.000 1.146 375 Y CA 1.989 60.113 58.100 0.040 0.000 1.164 375 Y CB -0.377 38.101 38.460 0.030 0.000 0.982 375 Y HN -0.070 nan 8.280 nan 0.000 0.515 376 T N -0.665 113.983 114.554 0.157 0.000 2.777 376 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 376 T C 2.051 176.756 174.700 0.009 0.000 1.040 376 T CA 1.488 63.639 62.100 0.085 0.000 1.141 376 T CB -0.729 68.209 68.868 0.115 0.000 0.868 376 T HN 0.184 nan 8.240 nan 0.000 0.444 377 V N 1.722 121.660 119.914 0.041 0.000 2.295 377 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 377 V C 2.641 178.729 176.094 -0.010 0.000 1.049 377 V CA 1.378 63.709 62.300 0.051 0.000 1.024 377 V CB -0.460 31.444 31.823 0.134 0.000 0.648 377 V HN 0.345 nan 8.190 nan 0.000 0.447 378 K N 0.135 120.494 120.400 -0.068 0.000 2.089 378 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 378 K C 2.139 178.645 176.600 -0.157 0.000 1.048 378 K CA 1.413 57.622 56.287 -0.129 0.000 0.926 378 K CB -0.342 32.025 32.500 -0.221 0.000 0.714 378 K HN 0.360 nan 8.250 nan 0.000 0.448 379 K N 0.125 120.396 120.400 -0.216 0.000 2.067 379 K HA -0.026 4.294 4.320 -0.000 0.000 0.203 379 K C 2.147 178.695 176.600 -0.086 0.000 1.048 379 K CA 1.202 57.379 56.287 -0.184 0.000 0.954 379 K CB -0.282 32.073 32.500 -0.241 0.000 0.737 379 K HN 0.221 nan 8.250 nan 0.000 0.444 380 V N -3.533 116.356 119.914 -0.042 0.000 3.645 380 V HA 0.437 4.557 4.120 -0.000 0.000 0.275 380 V C 0.640 176.789 176.094 0.091 0.000 1.356 380 V CA 0.282 62.577 62.300 -0.009 0.000 1.051 380 V CB -0.186 31.629 31.823 -0.014 0.000 0.828 380 V HN 0.305 nan 8.190 nan 0.000 0.441 381 G N 0.592 109.441 108.800 0.082 0.000 2.692 381 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 381 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 381 G C -0.143 174.822 174.900 0.108 0.000 1.243 381 G CA -0.108 45.055 45.100 0.104 0.000 0.782 381 G HN 0.634 nan 8.290 nan 0.000 0.625 382 I N 0.162 120.774 120.570 0.070 0.000 2.423 382 I HA -0.041 4.129 4.170 -0.000 0.000 0.254 382 I C 1.868 177.983 176.117 -0.003 0.000 1.151 382 I CA 2.281 63.617 61.300 0.060 0.000 1.421 382 I CB -0.005 38.040 38.000 0.075 0.000 1.079 382 I HN 0.519 nan 8.210 nan 0.000 0.431 383 D N -0.624 119.729 120.400 -0.078 0.000 2.363 383 D HA -0.045 4.595 4.640 -0.000 0.000 0.220 383 D C 1.005 177.014 176.300 -0.486 0.000 0.994 383 D CA 0.839 54.670 54.000 -0.281 0.000 0.890 383 D CB -0.120 40.445 40.800 -0.391 0.000 0.906 383 D HN 0.527 nan 8.370 nan 0.000 0.530 384 H N -0.751 118.334 119.070 0.025 0.000 2.567 384 H HA 0.271 4.827 4.556 -0.000 0.000 0.267 384 H C -0.220 175.125 175.328 0.030 0.000 1.148 384 H CA -0.008 56.055 56.048 0.025 0.000 1.031 384 H CB 1.084 30.854 29.762 0.013 0.000 1.691 384 H HN -0.126 nan 8.280 nan 0.000 0.588 385 V N 0.083 120.045 119.914 0.079 0.000 2.735 385 V HA 0.762 4.882 4.120 -0.000 0.000 0.310 385 V C 0.556 176.656 176.094 0.010 0.000 1.061 385 V CA -0.706 61.622 62.300 0.047 0.000 0.913 385 V CB 2.151 33.989 31.823 0.025 0.000 1.005 385 V HN 0.449 nan 8.190 nan 0.000 0.428 386 G N 2.500 111.298 108.800 -0.003 0.000 3.021 386 G HA2 0.861 4.820 3.960 -0.000 0.000 0.290 386 G HA3 0.861 4.820 3.960 -0.000 0.000 0.290 386 G C -1.593 173.219 174.900 -0.146 0.000 1.291 386 G CA -0.644 44.430 45.100 -0.043 0.000 0.834 386 G HN 0.581 nan 8.290 nan 0.000 0.564 387 I N 0.504 120.954 120.570 -0.200 0.000 2.722 387 I HA 0.582 4.752 4.170 -0.000 0.000 0.295 387 I C -0.428 175.608 176.117 -0.135 0.000 1.161 387 I CA -0.775 60.345 61.300 -0.300 0.000 1.032 387 I CB 2.657 40.149 38.000 -0.846 0.000 1.244 387 I HN 0.723 nan 8.210 nan 0.000 0.421 388 S N 1.400 117.089 115.700 -0.019 0.000 2.570 388 S HA 0.483 4.953 4.470 -0.000 0.000 0.270 388 S C 0.019 174.623 174.600 0.006 0.000 1.149 388 S CA -0.056 58.139 58.200 -0.008 0.000 0.837 388 S CB 1.793 64.960 63.200 -0.056 0.000 1.124 388 S HN 0.703 nan 8.310 nan 0.000 0.465 389 S N -0.161 115.356 115.700 -0.305 0.000 2.502 389 S HA 0.216 4.686 4.470 -0.000 0.000 0.228 389 S C 0.432 174.633 174.600 -0.666 0.000 1.061 389 S CA 0.804 58.427 58.200 -0.961 0.000 0.935 389 S CB -0.616 61.258 63.200 -2.209 0.000 0.809 389 S HN 0.926 nan 8.310 nan 0.000 0.510 390 D N 0.448 120.617 120.400 -0.385 0.000 2.945 390 D HA -0.124 4.516 4.640 -0.000 0.000 0.225 390 D C -1.058 175.131 176.300 -0.185 0.000 1.158 390 D CA 0.301 54.186 54.000 -0.192 0.000 0.805 390 D CB -1.909 38.931 40.800 0.068 0.000 1.098 390 D HN 0.322 nan 8.370 nan 0.000 0.426 391 F N 0.857 120.646 119.950 -0.269 0.000 2.595 391 F HA 0.067 4.594 4.527 -0.000 0.000 0.359 391 F C 2.042 177.687 175.800 -0.258 0.000 1.147 391 F CA 0.275 58.097 58.000 -0.297 0.000 1.341 391 F CB 0.136 38.948 39.000 -0.313 0.000 1.104 391 F HN 0.017 nan 8.300 nan 0.000 0.603 392 N N 0.283 118.963 118.700 -0.032 0.000 2.815 392 N HA -0.256 4.484 4.740 -0.000 0.000 0.247 392 N C -0.081 175.347 175.510 -0.137 0.000 1.030 392 N CA 1.460 54.431 53.050 -0.132 0.000 0.881 392 N CB -1.125 37.243 38.487 -0.199 0.000 1.134 392 N HN 0.645 nan 8.380 nan 0.000 0.582 393 D N -0.948 119.391 120.400 -0.101 0.000 2.740 393 D HA 0.455 5.095 4.640 -0.000 0.000 0.301 393 D C 1.102 177.421 176.300 0.032 0.000 1.408 393 D CA 0.779 54.732 54.000 -0.078 0.000 0.808 393 D CB -0.291 40.434 40.800 -0.125 0.000 1.128 393 D HN 0.386 nan 8.370 nan 0.000 0.465 394 G N -0.726 108.045 108.800 -0.047 0.000 2.195 394 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.224 394 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.224 394 G C 0.804 175.435 174.900 -0.449 0.000 0.990 394 G CA -0.119 44.887 45.100 -0.156 0.000 0.639 394 G HN 0.623 nan 8.290 nan 0.000 0.514 395 G N -0.565 108.077 108.800 -0.264 0.000 2.588 395 G HA2 0.785 4.745 3.960 -0.000 0.000 0.281 395 G HA3 0.785 4.745 3.960 -0.000 0.000 0.281 395 G C 0.655 175.365 174.900 -0.316 0.000 1.236 395 G CA 0.637 45.504 45.100 -0.388 0.000 0.969 395 G HN 1.975 nan 8.290 nan 0.000 0.504 396 G N -2.362 106.169 108.800 -0.448 0.000 2.885 396 G HA2 0.437 4.397 3.960 -0.000 0.000 0.685 396 G HA3 0.437 4.397 3.960 -0.000 0.000 0.685 396 G C -0.575 174.209 174.900 -0.193 0.000 1.216 396 G CA -0.020 44.922 45.100 -0.263 0.000 0.790 396 G HN 1.956 nan 8.290 nan 0.000 0.631 397 V N -1.057 118.834 119.914 -0.038 0.000 3.113 397 V HA 0.890 5.010 4.120 -0.000 0.000 0.316 397 V C 0.418 176.558 176.094 0.077 0.000 1.125 397 V CA -0.636 61.678 62.300 0.023 0.000 1.026 397 V CB 1.959 33.843 31.823 0.102 0.000 1.080 397 V HN 1.050 nan 8.190 nan 0.000 0.444 398 D N 1.127 121.556 120.400 0.048 0.000 2.451 398 D HA 0.417 5.057 4.640 -0.000 0.000 0.254 398 D C 1.181 177.554 176.300 0.121 0.000 1.204 398 D CA 2.177 56.212 54.000 0.058 0.000 0.896 398 D CB 0.346 41.163 40.800 0.028 0.000 1.136 398 D HN 1.541 nan 8.370 nan 0.000 0.499 399 G N 3.272 112.158 108.800 0.143 0.000 2.195 399 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.224 399 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.224 399 G C -0.221 174.864 174.900 0.308 0.000 0.990 399 G CA 0.037 45.255 45.100 0.196 0.000 0.639 399 G HN 0.505 nan 8.290 nan 0.000 0.514 400 W N 2.102 123.456 121.300 0.090 0.000 2.409 400 W HA 0.596 5.256 4.660 -0.000 0.000 0.285 400 W C 0.643 177.285 176.519 0.206 0.000 1.030 400 W CA -0.890 56.543 57.345 0.147 0.000 1.330 400 W CB 0.067 29.619 29.460 0.154 0.000 1.236 400 W HN 0.174 nan 8.180 nan 0.000 0.341 401 K N 1.611 122.094 120.400 0.138 0.000 2.360 401 K HA 0.293 4.613 4.320 -0.000 0.000 0.196 401 K C -0.315 176.047 176.600 -0.397 0.000 1.049 401 K CA 0.569 56.817 56.287 -0.066 0.000 1.049 401 K CB 0.719 33.184 32.500 -0.058 0.000 0.881 401 K HN 0.191 nan 8.250 nan 0.000 0.542 402 D N -1.000 119.123 120.400 -0.462 0.000 2.713 402 D HA -0.031 4.609 4.640 -0.000 0.000 0.306 402 D C 0.724 176.792 176.300 -0.386 0.000 1.299 402 D CA -0.360 53.056 54.000 -0.973 0.000 0.823 402 D CB 0.915 41.361 40.800 -0.589 0.000 1.353 402 D HN -0.162 nan 8.370 nan 0.000 0.447 403 V N -1.353 118.369 119.914 -0.321 0.000 2.913 403 V HA -0.066 4.054 4.120 -0.000 0.000 0.260 403 V C 1.703 177.867 176.094 0.116 0.000 1.098 403 V CA 1.978 64.366 62.300 0.146 0.000 1.121 403 V CB -1.220 30.660 31.823 0.095 0.000 0.714 403 V HN 0.674 nan 8.190 nan 0.000 0.487 404 S N 0.134 115.840 115.700 0.010 0.000 2.522 404 S HA -0.006 4.464 4.470 -0.000 0.000 0.227 404 S C 1.483 176.103 174.600 0.033 0.000 0.986 404 S CA 1.016 59.212 58.200 -0.007 0.000 0.929 404 S CB -0.455 62.718 63.200 -0.045 0.000 0.769 404 S HN 0.779 nan 8.310 nan 0.000 0.529 405 E N 0.805 121.100 120.200 0.159 0.000 2.465 405 E HA 0.228 4.578 4.350 -0.000 0.000 0.195 405 E C 1.513 178.192 176.600 0.132 0.000 1.028 405 E CA 0.152 56.673 56.400 0.201 0.000 0.899 405 E CB 0.018 29.903 29.700 0.308 0.000 1.032 405 E HN 0.837 nan 8.360 nan 0.000 0.468 406 I N -1.377 119.220 120.570 0.045 0.000 2.315 406 I HA -0.302 3.868 4.170 -0.000 0.000 0.251 406 I C 1.979 177.900 176.117 -0.326 0.000 1.125 406 I CA 1.281 62.435 61.300 -0.243 0.000 1.392 406 I CB -0.209 37.556 38.000 -0.392 0.000 1.065 406 I HN -0.071 nan 8.210 nan 0.000 0.424 407 R N 1.078 121.361 120.500 -0.362 0.000 2.189 407 R HA -0.044 4.296 4.340 -0.000 0.000 0.223 407 R C 1.886 178.085 176.300 -0.168 0.000 1.092 407 R CA 1.177 57.091 56.100 -0.310 0.000 0.989 407 R CB -0.631 29.503 30.300 -0.278 0.000 0.876 407 R HN 0.470 nan 8.270 nan 0.000 0.457 408 N N 0.410 119.026 118.700 -0.141 0.000 2.149 408 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 408 N C 1.742 177.138 175.510 -0.191 0.000 1.019 408 N CA 1.065 54.042 53.050 -0.123 0.000 0.857 408 N CB -0.234 38.279 38.487 0.044 0.000 0.997 408 N HN 0.014 nan 8.380 nan 0.000 0.426 409 V N 0.598 120.381 119.914 -0.218 0.000 2.307 409 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 409 V C 2.129 178.135 176.094 -0.147 0.000 1.045 409 V CA 1.803 63.953 62.300 -0.249 0.000 1.024 409 V CB -1.032 30.513 31.823 -0.463 0.000 0.651 409 V HN 0.323 nan 8.190 nan 0.000 0.449 410 T N 0.614 115.176 114.554 0.014 0.000 2.759 410 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 410 T C 2.063 176.678 174.700 -0.142 0.000 1.042 410 T CA 1.642 63.776 62.100 0.057 0.000 1.140 410 T CB -0.447 68.599 68.868 0.297 0.000 0.864 410 T HN 0.572 nan 8.240 nan 0.000 0.455 411 A N 1.373 124.019 122.820 -0.291 0.000 1.902 411 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 411 A C 2.229 179.491 177.584 -0.536 0.000 1.181 411 A CA 1.954 53.672 52.037 -0.532 0.000 0.623 411 A CB -0.570 17.850 19.000 -0.966 0.000 0.818 411 A HN 0.451 nan 8.150 nan 0.000 0.443 412 E N 0.208 120.149 120.200 -0.433 0.000 2.072 412 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 412 E C 1.833 178.434 176.600 0.001 0.000 0.985 412 E CA 1.200 57.569 56.400 -0.052 0.000 0.801 412 E CB -0.433 29.310 29.700 0.072 0.000 0.750 412 E HN 0.595 nan 8.360 nan 0.000 0.452 413 L N 0.014 121.194 121.223 -0.072 0.000 2.012 413 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 413 L C 2.549 179.487 176.870 0.114 0.000 1.073 413 L CA 1.356 56.180 54.840 -0.027 0.000 0.748 413 L CB -0.513 41.414 42.059 -0.219 0.000 0.891 413 L HN 0.200 nan 8.230 nan 0.000 0.431 414 I N -0.505 120.067 120.570 0.004 0.000 2.118 414 I HA -0.350 3.820 4.170 -0.000 0.000 0.241 414 I C 2.524 178.697 176.117 0.092 0.000 1.070 414 I CA 1.863 63.179 61.300 0.025 0.000 1.327 414 I CB -0.617 37.333 38.000 -0.084 0.000 1.034 414 I HN 0.286 nan 8.210 nan 0.000 0.405 415 T N 0.429 115.035 114.554 0.087 0.000 2.759 415 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 415 T C 1.835 176.608 174.700 0.123 0.000 1.042 415 T CA 1.185 63.363 62.100 0.130 0.000 1.140 415 T CB -0.230 68.759 68.868 0.201 0.000 0.864 415 T HN 0.316 nan 8.240 nan 0.000 0.455 416 R N 0.259 120.848 120.500 0.148 0.000 2.299 416 R HA 0.195 4.535 4.340 -0.000 0.000 0.197 416 R C 1.682 178.010 176.300 0.047 0.000 0.971 416 R CA 0.649 56.827 56.100 0.129 0.000 1.030 416 R CB 0.183 30.611 30.300 0.214 0.000 0.932 416 R HN 0.519 nan 8.270 nan 0.000 0.477 417 G N 0.304 109.144 108.800 0.067 0.000 2.148 417 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.203 417 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.203 417 G C -0.293 174.569 174.900 -0.064 0.000 0.993 417 G CA -0.554 44.540 45.100 -0.011 0.000 0.661 417 G HN 0.237 nan 8.290 nan 0.000 0.518 418 Y N 2.335 122.639 120.300 0.006 0.000 2.511 418 Y HA 0.414 4.964 4.550 -0.000 0.000 0.332 418 Y C 1.532 177.438 175.900 0.009 0.000 1.177 418 Y CA 0.520 58.619 58.100 -0.002 0.000 1.422 418 Y CB 0.849 39.295 38.460 -0.022 0.000 1.271 418 Y HN 0.396 nan 8.280 nan 0.000 0.550 419 S N 0.676 116.466 115.700 0.150 0.000 2.632 419 S HA 0.095 4.565 4.470 -0.000 0.000 0.267 419 S C 0.598 175.262 174.600 0.106 0.000 1.276 419 S CA -0.732 57.533 58.200 0.109 0.000 0.998 419 S CB 0.990 64.233 63.200 0.072 0.000 0.953 419 S HN 0.659 nan 8.310 nan 0.000 0.547 420 D N 1.482 121.938 120.400 0.092 0.000 2.123 420 D HA -0.080 4.560 4.640 -0.000 0.000 0.196 420 D C 2.239 178.569 176.300 0.049 0.000 0.992 420 D CA 1.954 55.991 54.000 0.062 0.000 0.833 420 D CB -0.970 39.879 40.800 0.081 0.000 0.954 420 D HN 0.708 nan 8.370 nan 0.000 0.455 421 A N 1.081 123.933 122.820 0.053 0.000 1.883 421 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 421 A C 1.863 179.480 177.584 0.055 0.000 1.186 421 A CA 2.018 54.083 52.037 0.046 0.000 0.624 421 A CB -0.541 18.483 19.000 0.039 0.000 0.822 421 A HN 0.056 nan 8.150 nan 0.000 0.444 422 D N -0.119 120.328 120.400 0.079 0.000 2.117 422 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 422 D C 1.823 178.160 176.300 0.062 0.000 0.982 422 D CA 1.119 55.182 54.000 0.104 0.000 0.828 422 D CB -0.369 40.558 40.800 0.212 0.000 0.967 422 D HN 0.535 nan 8.370 nan 0.000 0.464 423 I N 1.042 121.643 120.570 0.053 0.000 2.226 423 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 423 I C 2.407 178.572 176.117 0.080 0.000 1.100 423 I CA 1.076 62.382 61.300 0.009 0.000 1.374 423 I CB -0.237 37.775 38.000 0.020 0.000 1.057 423 I HN -0.069 nan 8.210 nan 0.000 0.413 424 A N 0.745 123.609 122.820 0.074 0.000 1.972 424 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 424 A C 2.329 179.977 177.584 0.107 0.000 1.169 424 A CA 1.541 53.637 52.037 0.097 0.000 0.635 424 A CB -0.383 18.650 19.000 0.055 0.000 0.810 424 A HN 0.342 nan 8.150 nan 0.000 0.446 425 K N -0.429 120.009 120.400 0.063 0.000 2.025 425 K HA 0.001 4.321 4.320 -0.000 0.000 0.207 425 K C 1.891 178.515 176.600 0.039 0.000 1.049 425 K CA 1.269 57.584 56.287 0.046 0.000 0.933 425 K CB -0.426 32.085 32.500 0.019 0.000 0.714 425 K HN 0.439 nan 8.250 nan 0.000 0.438 426 L N -0.606 120.602 121.223 -0.025 0.000 2.013 426 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 426 L C 1.972 178.767 176.870 -0.124 0.000 1.073 426 L CA 1.458 56.212 54.840 -0.144 0.000 0.753 426 L CB -0.342 41.514 42.059 -0.338 0.000 0.890 426 L HN 0.346 nan 8.230 nan 0.000 0.432 427 W N -0.961 120.337 121.300 -0.003 0.000 3.204 427 W HA 0.108 4.768 4.660 -0.000 0.000 0.249 427 W C 1.409 177.995 176.519 0.111 0.000 1.322 427 W CA 0.443 57.812 57.345 0.040 0.000 1.593 427 W CB 0.440 29.925 29.460 0.042 0.000 1.122 427 W HN 0.318 nan 8.180 nan 0.000 0.710 428 G N -1.851 107.142 108.800 0.321 0.000 3.302 428 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 428 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 428 G C 1.171 176.167 174.900 0.160 0.000 1.008 428 G CA -0.227 45.035 45.100 0.270 0.000 0.852 428 G HN 0.272 nan 8.290 nan 0.000 0.485 429 G N 1.393 110.271 108.800 0.130 0.000 2.469 429 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 429 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 429 G C 1.519 176.458 174.900 0.065 0.000 1.150 429 G CA 1.851 46.998 45.100 0.078 0.000 0.763 429 G HN 0.450 nan 8.290 nan 0.000 0.561 430 N N 0.054 118.800 118.700 0.076 0.000 2.106 430 N HA -0.074 4.666 4.740 -0.000 0.000 0.188 430 N C 1.839 177.403 175.510 0.091 0.000 1.029 430 N CA 0.856 53.933 53.050 0.045 0.000 0.848 430 N CB -0.570 37.934 38.487 0.029 0.000 1.007 430 N HN 0.375 nan 8.380 nan 0.000 0.423 431 F N 1.933 121.899 119.950 0.028 0.000 2.095 431 F HA -0.101 4.426 4.527 0.000 0.000 0.298 431 F C 2.097 177.912 175.800 0.025 0.000 1.104 431 F CA 1.183 59.203 58.000 0.032 0.000 1.232 431 F CB -0.224 38.811 39.000 0.058 0.000 0.987 431 F HN -0.060 nan 8.300 nan 0.000 0.475 432 L N -0.036 121.288 121.223 0.168 0.000 2.083 432 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 432 L C 2.717 179.593 176.870 0.009 0.000 1.083 432 L CA 1.502 56.398 54.840 0.093 0.000 0.752 432 L CB -0.778 41.285 42.059 0.007 0.000 0.899 432 L HN 0.146 nan 8.230 nan 0.000 0.433 433 R N 0.627 121.123 120.500 -0.006 0.000 2.070 433 R HA -0.190 4.150 4.340 -0.000 0.000 0.233 433 R C 2.349 178.631 176.300 -0.030 0.000 1.137 433 R CA 1.654 57.740 56.100 -0.024 0.000 0.945 433 R CB -0.294 29.991 30.300 -0.026 0.000 0.845 433 R HN 0.314 nan 8.270 nan 0.000 0.430 434 A N 0.618 123.406 122.820 -0.053 0.000 1.908 434 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 434 A C 1.900 179.457 177.584 -0.045 0.000 1.181 434 A CA 1.337 53.337 52.037 -0.063 0.000 0.627 434 A CB -1.113 17.825 19.000 -0.103 0.000 0.818 434 A HN 0.730 nan 8.150 nan 0.000 0.445 435 W N 0.945 122.018 121.300 -0.378 0.000 2.338 435 W HA -0.106 4.553 4.660 -0.000 0.000 0.304 435 W C 2.217 178.647 176.519 -0.149 0.000 1.212 435 W CA 1.487 58.635 57.345 -0.328 0.000 1.264 435 W CB -1.036 28.175 29.460 -0.415 0.000 1.142 435 W HN 0.256 nan 8.180 nan 0.000 0.512 436 G N 0.118 108.903 108.800 -0.025 0.000 2.418 436 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 436 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 436 G C 1.440 176.324 174.900 -0.028 0.000 1.158 436 G CA 1.129 46.166 45.100 -0.104 0.000 0.771 436 G HN 0.229 nan 8.290 nan 0.000 0.545 437 E N 0.415 120.616 120.200 0.001 0.000 2.072 437 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 437 E C 2.914 179.537 176.600 0.038 0.000 0.985 437 E CA 0.656 57.065 56.400 0.015 0.000 0.801 437 E CB -0.711 28.998 29.700 0.016 0.000 0.750 437 E HN 0.275 nan 8.360 nan 0.000 0.452 438 V N 1.879 121.830 119.914 0.063 0.000 2.250 438 V HA -0.325 3.795 4.120 -0.000 0.000 0.250 438 V C 2.469 178.625 176.094 0.103 0.000 1.060 438 V CA 2.163 64.519 62.300 0.093 0.000 1.030 438 V CB -0.613 31.288 31.823 0.130 0.000 0.643 438 V HN 0.320 nan 8.190 nan 0.000 0.445 439 Q N -0.697 119.170 119.800 0.112 0.000 2.170 439 Q HA -0.215 4.125 4.340 -0.000 0.000 0.203 439 Q C 2.368 178.394 176.000 0.042 0.000 0.976 439 Q CA 1.205 57.057 55.803 0.082 0.000 0.858 439 Q CB -0.224 28.536 28.738 0.037 0.000 0.907 439 Q HN 0.588 nan 8.270 nan 0.000 0.433 440 K N 0.443 120.858 120.400 0.025 0.000 2.147 440 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 440 K C 1.734 178.349 176.600 0.026 0.000 1.049 440 K CA 0.738 57.035 56.287 0.016 0.000 0.936 440 K CB 0.120 32.624 32.500 0.007 0.000 0.722 440 K HN 0.134 nan 8.250 nan 0.000 0.446 441 R N 0.447 120.969 120.500 0.036 0.000 2.313 441 R HA 0.136 4.476 4.340 -0.000 0.000 0.199 441 R C 0.936 177.262 176.300 0.044 0.000 0.958 441 R CA 0.024 56.147 56.100 0.038 0.000 1.047 441 R CB -0.213 30.113 30.300 0.043 0.000 0.955 441 R HN 0.062 nan 8.270 nan 0.000 0.481 442 A N 0.000 122.849 122.820 0.049 0.000 2.254 442 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 442 A CA 0.000 52.068 52.037 0.051 0.000 0.836 442 A CB 0.000 19.034 19.000 0.057 0.000 0.831 442 A HN 0.000 nan 8.150 nan 0.000 0.486