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 2pfm_1_B DATA FIRST_RESID 2 DATA SEQUENCE ISRYTRPEMG AIWTEENKFK AWLEVEILAC EAWAELGDIP KEDVKKIREH DATA SEQUENCE ASFDIDRIYE IEKETRHDVV AFTRAVSETP ALGEERKWVH YGLTSTDVVD DATA SEQUENCE TALSYILKQA NEIILKDLEN FVSILANKAK EHKYTIMMGR THGVHAEPTT DATA SEQUENCE FGLKLGLWYE EMKRNVERFK QAANTVRVGK LSGAVGTYAN IDPFVEKYVC DATA SEQUENCE ENLGLEAAPI STQTLQRDRH AHYMSTLALI ATSIEKMAVE IRGLQKSETR DATA SEQUENCE EVEEAFAKGQ KGSSAMPHKR NPIGSENMTG LARVIRGYMM TAYENVPLWH DATA SEQUENCE ERDISHSSAE RVILPDATIA LNYMLNRFGN IVKNLTVYPE NMKRNMTRTY DATA SEQUENCE GLIYSQRVML TLIDKGMVRE EAYDIVQPKA MEAWETQVQF KELVEADERI DATA SEQUENCE TSKLTQEEIN ECFNYEHHMQ HVDTIFERLG LNEA 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.060 176.117 -0.095 0.000 1.063 2 I CA 0.000 61.263 61.300 -0.062 0.000 1.566 2 I CB 0.000 37.991 38.000 -0.015 0.000 1.214 3 S N 4.781 120.351 115.700 -0.217 0.000 2.490 3 S HA 0.145 4.614 4.470 -0.001 0.000 0.280 3 S C 1.532 175.999 174.600 -0.222 0.000 1.048 3 S CA 0.381 58.480 58.200 -0.168 0.000 1.263 3 S CB 0.039 63.163 63.200 -0.126 0.000 1.053 3 S HN 0.859 nan 8.310 nan 0.000 0.538 4 R N 0.246 120.513 120.500 -0.388 0.000 2.236 4 R HA 0.197 4.536 4.340 -0.001 0.000 0.208 4 R C 0.592 176.566 176.300 -0.544 0.000 1.036 4 R CA 1.070 56.909 56.100 -0.436 0.000 1.001 4 R CB -0.703 29.282 30.300 -0.526 0.000 0.896 4 R HN 0.563 nan 8.270 nan 0.000 0.464 5 Y N 0.961 120.989 120.300 -0.453 0.000 2.708 5 Y HA 0.238 4.787 4.550 -0.001 0.000 0.287 5 Y C 0.202 175.799 175.900 -0.506 0.000 1.145 5 Y CA -0.768 56.775 58.100 -0.929 0.000 1.249 5 Y CB 1.001 39.038 38.460 -0.706 0.000 1.152 5 Y HN -0.009 nan 8.280 nan 0.000 0.532 6 T N 0.716 115.192 114.554 -0.131 0.000 2.890 6 T HA 0.463 4.812 4.350 -0.001 0.000 0.295 6 T C -0.642 174.101 174.700 0.071 0.000 0.993 6 T CA -0.763 61.345 62.100 0.013 0.000 0.979 6 T CB 0.718 69.590 68.868 0.007 0.000 0.967 6 T HN 0.250 nan 8.240 nan 0.000 0.441 7 R N 4.830 125.410 120.500 0.133 0.000 2.410 7 R HA 0.339 4.679 4.340 -0.001 0.000 0.288 7 R C -1.719 174.633 176.300 0.088 0.000 1.051 7 R CA -2.007 54.165 56.100 0.120 0.000 1.021 7 R CB 0.609 30.990 30.300 0.135 0.000 1.032 7 R HN 0.399 nan 8.270 nan 0.000 0.481 8 P HA -0.271 nan 4.420 nan 0.000 0.216 8 P C 0.860 178.191 177.300 0.052 0.000 1.150 8 P CA 1.407 64.539 63.100 0.053 0.000 0.843 8 P CB 0.107 31.831 31.700 0.040 0.000 0.787 9 E N -0.913 119.317 120.200 0.050 0.000 2.085 9 E HA -0.235 4.114 4.350 -0.001 0.000 0.194 9 E C 1.930 178.557 176.600 0.045 0.000 0.994 9 E CA 1.368 57.791 56.400 0.037 0.000 0.801 9 E CB -0.877 28.844 29.700 0.034 0.000 0.743 9 E HN 0.144 nan 8.360 nan 0.000 0.453 10 M N 1.346 120.997 119.600 0.085 0.000 2.357 10 M HA 0.219 4.699 4.480 -0.001 0.000 0.266 10 M C 2.154 178.572 176.300 0.196 0.000 1.095 10 M CA 1.732 57.114 55.300 0.137 0.000 1.156 10 M CB -0.234 32.475 32.600 0.183 0.000 1.365 10 M HN 0.170 nan 8.290 nan 0.000 0.447 11 G N -0.253 108.644 108.800 0.161 0.000 2.469 11 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.220 11 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.220 11 G C 1.536 176.511 174.900 0.125 0.000 1.136 11 G CA 1.060 46.255 45.100 0.160 0.000 0.759 11 G HN 0.638 nan 8.290 nan 0.000 0.562 12 A N 1.095 123.953 122.820 0.063 0.000 1.972 12 A HA 0.015 4.334 4.320 -0.001 0.000 0.219 12 A C 2.387 179.949 177.584 -0.037 0.000 1.169 12 A CA 1.530 53.579 52.037 0.020 0.000 0.635 12 A CB -0.384 18.619 19.000 0.006 0.000 0.810 12 A HN 0.859 nan 8.150 nan 0.000 0.446 13 I N -5.094 115.410 120.570 -0.110 0.000 2.761 13 I HA -0.017 4.152 4.170 -0.001 0.000 0.261 13 I C 1.566 177.415 176.117 -0.448 0.000 1.198 13 I CA 0.786 61.895 61.300 -0.318 0.000 1.482 13 I CB -0.210 37.511 38.000 -0.465 0.000 1.100 13 I HN 0.343 nan 8.210 nan 0.000 0.445 14 W N 2.538 123.816 121.300 -0.037 0.000 3.330 14 W HA 0.254 4.913 4.660 -0.001 0.000 0.348 14 W C 1.223 177.697 176.519 -0.074 0.000 1.205 14 W CA -0.109 57.203 57.345 -0.056 0.000 1.841 14 W CB -0.193 29.242 29.460 -0.042 0.000 1.084 14 W HN 0.067 nan 8.180 nan 0.000 0.665 15 T N -2.286 112.319 114.554 0.086 0.000 2.860 15 T HA 0.039 4.389 4.350 -0.001 0.000 0.299 15 T C 1.227 175.904 174.700 -0.039 0.000 1.045 15 T CA -0.283 61.844 62.100 0.045 0.000 1.071 15 T CB 1.429 70.322 68.868 0.041 0.000 0.985 15 T HN 0.051 nan 8.240 nan 0.000 0.537 16 E N 0.610 120.782 120.200 -0.046 0.000 2.077 16 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 16 E C 2.008 178.493 176.600 -0.192 0.000 0.989 16 E CA 1.614 57.890 56.400 -0.206 0.000 0.800 16 E CB -0.196 29.521 29.700 0.028 0.000 0.746 16 E HN 0.983 nan 8.360 nan 0.000 0.452 17 E N 1.087 121.325 120.200 0.064 0.000 2.085 17 E HA -0.202 4.148 4.350 -0.001 0.000 0.194 17 E C 1.989 178.655 176.600 0.109 0.000 0.994 17 E CA 1.148 57.666 56.400 0.198 0.000 0.801 17 E CB -0.027 29.792 29.700 0.197 0.000 0.743 17 E HN 0.058 nan 8.360 nan 0.000 0.453 18 N N 0.671 119.372 118.700 0.002 0.000 2.166 18 N HA -0.179 4.560 4.740 -0.001 0.000 0.186 18 N C 1.683 177.115 175.510 -0.131 0.000 1.019 18 N CA 1.167 54.197 53.050 -0.034 0.000 0.856 18 N CB -0.142 38.301 38.487 -0.074 0.000 0.993 18 N HN 0.242 nan 8.380 nan 0.000 0.426 19 K N 0.221 120.428 120.400 -0.321 0.000 1.991 19 K HA -0.116 4.203 4.320 -0.001 0.000 0.212 19 K C 2.003 178.150 176.600 -0.755 0.000 1.049 19 K CA 1.308 57.253 56.287 -0.570 0.000 0.932 19 K CB -0.281 31.689 32.500 -0.884 0.000 0.717 19 K HN 0.087 nan 8.250 nan 0.000 0.441 20 F N 1.249 120.776 119.950 -0.705 0.000 2.216 20 F HA -0.139 4.387 4.527 -0.001 0.000 0.300 20 F C 2.352 177.929 175.800 -0.371 0.000 1.085 20 F CA 0.846 58.298 58.000 -0.912 0.000 1.326 20 F CB 0.018 38.368 39.000 -1.083 0.000 1.027 20 F HN 0.035 nan 8.300 nan 0.000 0.497 21 K N 0.434 120.952 120.400 0.198 0.000 2.057 21 K HA -0.164 4.156 4.320 -0.001 0.000 0.207 21 K C 2.353 179.092 176.600 0.231 0.000 1.049 21 K CA 1.178 57.677 56.287 0.353 0.000 0.931 21 K CB -0.474 32.202 32.500 0.293 0.000 0.714 21 K HN 0.232 nan 8.250 nan 0.000 0.440 22 A N 0.974 123.881 122.820 0.145 0.000 1.902 22 A HA -0.177 4.143 4.320 -0.001 0.000 0.217 22 A C 1.732 179.457 177.584 0.236 0.000 1.181 22 A CA 1.282 53.429 52.037 0.183 0.000 0.623 22 A CB -0.784 18.358 19.000 0.236 0.000 0.818 22 A HN 0.358 nan 8.150 nan 0.000 0.443 23 W N -0.561 120.672 121.300 -0.112 0.000 2.355 23 W HA -0.088 4.572 4.660 -0.001 0.000 0.309 23 W C 2.025 178.564 176.519 0.033 0.000 1.206 23 W CA 0.947 58.160 57.345 -0.221 0.000 1.284 23 W CB -1.411 27.565 29.460 -0.807 0.000 1.145 23 W HN 0.356 nan 8.180 nan 0.000 0.502 24 L N 0.908 122.409 121.223 0.462 0.000 2.012 24 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 24 L C 2.331 179.405 176.870 0.340 0.000 1.073 24 L CA 2.530 57.717 54.840 0.579 0.000 0.748 24 L CB -1.246 41.196 42.059 0.638 0.000 0.891 24 L HN -0.040 nan 8.230 nan 0.000 0.431 25 E N -0.960 119.381 120.200 0.234 0.000 2.106 25 E HA -0.152 4.197 4.350 -0.001 0.000 0.192 25 E C 2.074 178.724 176.600 0.083 0.000 0.984 25 E CA 1.559 58.032 56.400 0.122 0.000 0.806 25 E CB -0.328 29.390 29.700 0.029 0.000 0.750 25 E HN 0.340 nan 8.360 nan 0.000 0.458 26 V N 1.490 121.450 119.914 0.077 0.000 2.343 26 V HA -0.239 3.881 4.120 -0.001 0.000 0.247 26 V C 2.262 178.424 176.094 0.114 0.000 1.051 26 V CA 2.146 64.476 62.300 0.050 0.000 1.036 26 V CB -0.553 31.283 31.823 0.021 0.000 0.654 26 V HN 0.303 nan 8.190 nan 0.000 0.451 27 E N -0.017 120.302 120.200 0.198 0.000 2.051 27 E HA -0.183 4.166 4.350 -0.001 0.000 0.192 27 E C 2.193 178.921 176.600 0.213 0.000 0.991 27 E CA 1.537 58.082 56.400 0.242 0.000 0.799 27 E CB -0.255 29.657 29.700 0.354 0.000 0.748 27 E HN 0.581 nan 8.360 nan 0.000 0.449 28 I N 0.866 121.554 120.570 0.198 0.000 2.252 28 I HA -0.244 3.925 4.170 -0.001 0.000 0.245 28 I C 2.541 178.748 176.117 0.149 0.000 1.102 28 I CA 0.736 62.138 61.300 0.169 0.000 1.385 28 I CB -0.282 37.810 38.000 0.153 0.000 1.064 28 I HN 0.029 nan 8.210 nan 0.000 0.414 29 L N 0.692 122.000 121.223 0.140 0.000 2.079 29 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 29 L C 2.857 179.818 176.870 0.152 0.000 1.081 29 L CA 1.366 56.315 54.840 0.181 0.000 0.752 29 L CB -0.689 41.447 42.059 0.128 0.000 0.896 29 L HN 0.248 nan 8.230 nan 0.000 0.433 30 A N -0.929 121.957 122.820 0.110 0.000 1.902 30 A HA -0.228 4.091 4.320 -0.001 0.000 0.217 30 A C 2.400 180.071 177.584 0.145 0.000 1.181 30 A CA 1.861 53.940 52.037 0.070 0.000 0.623 30 A CB -1.134 17.931 19.000 0.109 0.000 0.818 30 A HN 0.540 nan 8.150 nan 0.000 0.443 31 C N -0.742 118.683 119.300 0.210 0.000 2.446 31 C HA -0.076 4.384 4.460 -0.001 0.000 0.277 31 C C 2.627 177.661 174.990 0.074 0.000 1.275 31 C CA 1.111 60.256 59.018 0.212 0.000 1.727 31 C CB -1.309 26.535 27.740 0.173 0.000 2.010 31 C HN 0.684 nan 8.230 nan 0.000 0.486 32 E N 0.962 121.173 120.200 0.019 0.000 2.118 32 E HA -0.177 4.172 4.350 -0.001 0.000 0.195 32 E C 2.339 178.735 176.600 -0.339 0.000 0.992 32 E CA 1.356 57.707 56.400 -0.081 0.000 0.804 32 E CB -0.230 29.496 29.700 0.042 0.000 0.741 32 E HN 0.681 nan 8.360 nan 0.000 0.458 33 A N 0.609 123.112 122.820 -0.529 0.000 1.877 33 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 33 A C 1.793 179.282 177.584 -0.158 0.000 1.186 33 A CA 1.201 52.845 52.037 -0.655 0.000 0.620 33 A CB -1.094 17.532 19.000 -0.624 0.000 0.822 33 A HN 0.387 nan 8.150 nan 0.000 0.443 34 W N -0.285 120.937 121.300 -0.130 0.000 2.342 34 W HA -0.116 4.543 4.660 -0.001 0.000 0.297 34 W C 2.749 179.153 176.519 -0.191 0.000 1.213 34 W CA 1.286 58.559 57.345 -0.119 0.000 1.251 34 W CB -0.073 29.289 29.460 -0.164 0.000 1.136 34 W HN 0.416 nan 8.180 nan 0.000 0.526 35 A N 0.293 123.118 122.820 0.008 0.000 1.933 35 A HA -0.201 4.119 4.320 -0.001 0.000 0.218 35 A C 1.837 179.375 177.584 -0.075 0.000 1.175 35 A CA 1.618 53.605 52.037 -0.082 0.000 0.628 35 A CB -0.595 18.346 19.000 -0.098 0.000 0.814 35 A HN 0.270 nan 8.150 nan 0.000 0.444 36 E N -0.352 119.796 120.200 -0.086 0.000 2.150 36 E HA -0.141 4.208 4.350 -0.001 0.000 0.193 36 E C 1.628 178.137 176.600 -0.153 0.000 0.985 36 E CA 0.714 57.058 56.400 -0.094 0.000 0.814 36 E CB -0.318 29.351 29.700 -0.053 0.000 0.752 36 E HN 0.435 nan 8.360 nan 0.000 0.466 37 L N -0.147 121.001 121.223 -0.126 0.000 2.275 37 L HA -0.006 4.334 4.340 -0.001 0.000 0.215 37 L C 1.751 178.581 176.870 -0.068 0.000 1.119 37 L CA 1.736 56.496 54.840 -0.133 0.000 0.790 37 L CB -0.797 41.258 42.059 -0.006 0.000 0.919 37 L HN 0.356 nan 8.230 nan 0.000 0.443 38 G N -1.631 107.135 108.800 -0.057 0.000 2.175 38 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.244 38 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.244 38 G C 0.912 175.765 174.900 -0.077 0.000 0.982 38 G CA 0.494 45.554 45.100 -0.066 0.000 0.641 38 G HN 0.324 nan 8.290 nan 0.000 0.527 39 D N 0.229 120.604 120.400 -0.042 0.000 2.277 39 D HA 0.154 4.793 4.640 -0.001 0.000 0.208 39 D C 1.617 177.669 176.300 -0.413 0.000 0.962 39 D CA 1.314 55.242 54.000 -0.120 0.000 0.865 39 D CB 0.279 41.117 40.800 0.064 0.000 0.939 39 D HN 0.853 nan 8.370 nan 0.000 0.510 40 I N -2.690 117.597 120.570 -0.471 0.000 2.730 40 I HA 0.496 4.666 4.170 -0.001 0.000 0.298 40 I C -2.946 172.905 176.117 -0.444 0.000 1.089 40 I CA -2.735 58.080 61.300 -0.809 0.000 1.041 40 I CB 2.634 39.676 38.000 -1.596 0.000 1.235 40 I HN -0.416 nan 8.210 nan 0.000 0.423 41 P HA 0.183 nan 4.420 nan 0.000 0.267 41 P C -0.074 177.153 177.300 -0.123 0.000 1.205 41 P CA -0.123 62.887 63.100 -0.149 0.000 0.765 41 P CB 0.816 32.487 31.700 -0.047 0.000 0.828 42 K N 2.637 122.988 120.400 -0.081 0.000 2.074 42 K HA -0.245 4.074 4.320 -0.001 0.000 0.209 42 K C 1.808 178.395 176.600 -0.022 0.000 1.048 42 K CA 1.851 58.108 56.287 -0.050 0.000 0.926 42 K CB -0.351 32.130 32.500 -0.033 0.000 0.713 42 K HN 0.573 nan 8.250 nan 0.000 0.444 43 E N 0.540 120.735 120.200 -0.008 0.000 2.086 43 E HA -0.283 4.067 4.350 -0.001 0.000 0.200 43 E C 1.220 177.845 176.600 0.041 0.000 1.012 43 E CA 2.058 58.469 56.400 0.018 0.000 0.812 43 E CB -0.080 29.635 29.700 0.024 0.000 0.743 43 E HN 0.264 nan 8.360 nan 0.000 0.453 44 D N -0.017 120.413 120.400 0.050 0.000 2.117 44 D HA -0.159 4.481 4.640 -0.001 0.000 0.197 44 D C 2.107 178.465 176.300 0.097 0.000 0.987 44 D CA 1.894 55.963 54.000 0.115 0.000 0.829 44 D CB -0.305 40.623 40.800 0.213 0.000 0.961 44 D HN 0.349 nan 8.370 nan 0.000 0.460 45 V N -0.817 119.111 119.914 0.023 0.000 2.548 45 V HA -0.107 4.013 4.120 -0.001 0.000 0.249 45 V C 2.108 178.227 176.094 0.041 0.000 1.055 45 V CA 1.326 63.644 62.300 0.031 0.000 1.065 45 V CB -0.551 31.263 31.823 -0.015 0.000 0.681 45 V HN 0.005 nan 8.190 nan 0.000 0.462 46 K N 0.623 121.039 120.400 0.027 0.000 2.074 46 K HA -0.224 4.096 4.320 -0.001 0.000 0.209 46 K C 2.328 178.935 176.600 0.012 0.000 1.048 46 K CA 2.204 58.501 56.287 0.017 0.000 0.926 46 K CB -0.173 32.335 32.500 0.013 0.000 0.713 46 K HN 0.555 nan 8.250 nan 0.000 0.444 47 K N 0.254 120.687 120.400 0.055 0.000 2.097 47 K HA -0.082 4.237 4.320 -0.001 0.000 0.205 47 K C 2.136 178.803 176.600 0.111 0.000 1.050 47 K CA 1.258 57.607 56.287 0.103 0.000 0.938 47 K CB -0.099 32.502 32.500 0.169 0.000 0.718 47 K HN 0.159 nan 8.250 nan 0.000 0.442 48 I N 0.909 121.548 120.570 0.115 0.000 2.127 48 I HA -0.304 3.866 4.170 -0.001 0.000 0.241 48 I C 2.601 178.772 176.117 0.090 0.000 1.075 48 I CA 1.154 62.529 61.300 0.126 0.000 1.334 48 I CB -0.201 37.888 38.000 0.148 0.000 1.040 48 I HN 0.089 nan 8.210 nan 0.000 0.405 49 R N 1.420 121.955 120.500 0.058 0.000 2.081 49 R HA -0.239 4.100 4.340 -0.001 0.000 0.235 49 R C 2.040 178.331 176.300 -0.015 0.000 1.131 49 R CA 1.997 58.121 56.100 0.039 0.000 0.960 49 R CB -0.475 29.846 30.300 0.034 0.000 0.856 49 R HN 0.334 nan 8.270 nan 0.000 0.436 50 E N -1.047 119.090 120.200 -0.105 0.000 2.107 50 E HA -0.127 4.223 4.350 -0.001 0.000 0.191 50 E C 1.100 177.516 176.600 -0.307 0.000 0.982 50 E CA 1.790 58.023 56.400 -0.279 0.000 0.809 50 E CB -0.038 29.358 29.700 -0.506 0.000 0.756 50 E HN 0.733 nan 8.360 nan 0.000 0.459 51 H N -1.270 117.824 119.070 0.040 0.000 3.017 51 H HA 0.514 5.069 4.556 -0.001 0.000 0.255 51 H C 0.078 175.425 175.328 0.032 0.000 0.990 51 H CA 0.036 56.101 56.048 0.028 0.000 1.205 51 H CB 0.649 30.424 29.762 0.023 0.000 1.460 51 H HN 0.143 nan 8.280 nan 0.000 0.478 52 A N 1.151 124.064 122.820 0.155 0.000 2.567 52 A HA 0.313 4.633 4.320 -0.001 0.000 0.240 52 A C 0.541 178.193 177.584 0.113 0.000 1.053 52 A CA 0.873 52.987 52.037 0.128 0.000 0.755 52 A CB 0.167 19.251 19.000 0.141 0.000 0.978 52 A HN 0.333 nan 8.150 nan 0.000 0.507 53 S N 0.544 116.295 115.700 0.085 0.000 2.973 53 S HA 0.904 5.374 4.470 -0.001 0.000 0.317 53 S C -1.345 173.314 174.600 0.098 0.000 1.196 53 S CA -0.026 58.194 58.200 0.034 0.000 0.894 53 S CB 0.853 64.007 63.200 -0.078 0.000 1.292 53 S HN 1.689 nan 8.310 nan 0.000 0.614 54 F N 0.499 120.431 119.950 -0.030 0.000 2.703 54 F HA 0.712 5.238 4.527 -0.001 0.000 0.308 54 F C -1.582 174.169 175.800 -0.082 0.000 1.126 54 F CA -0.972 56.968 58.000 -0.101 0.000 0.959 54 F CB 0.810 39.732 39.000 -0.130 0.000 1.297 54 F HN 0.451 nan 8.300 nan 0.000 0.441 55 D N 2.371 122.804 120.400 0.054 0.000 2.256 55 D HA 0.324 4.964 4.640 -0.001 0.000 0.240 55 D C 0.428 176.759 176.300 0.051 0.000 1.062 55 D CA -0.461 53.542 54.000 0.005 0.000 0.832 55 D CB 1.861 42.642 40.800 -0.030 0.000 1.135 55 D HN 0.792 nan 8.370 nan 0.000 0.484 56 I N 2.786 123.391 120.570 0.057 0.000 2.353 56 I HA -0.142 4.028 4.170 -0.001 0.000 0.248 56 I C 0.928 176.860 176.117 -0.309 0.000 1.119 56 I CA 0.938 62.171 61.300 -0.111 0.000 1.417 56 I CB 0.298 38.344 38.000 0.077 0.000 1.078 56 I HN 0.347 nan 8.210 nan 0.000 0.421 57 D N 0.598 120.956 120.400 -0.070 0.000 2.178 57 D HA -0.215 4.425 4.640 -0.001 0.000 0.201 57 D C 2.165 178.463 176.300 -0.003 0.000 0.980 57 D CA 0.915 54.937 54.000 0.036 0.000 0.842 57 D CB -0.188 40.658 40.800 0.076 0.000 0.948 57 D HN 0.247 nan 8.370 nan 0.000 0.472 58 R N 0.732 121.201 120.500 -0.052 0.000 2.075 58 R HA -0.011 4.328 4.340 -0.001 0.000 0.232 58 R C 2.311 178.555 176.300 -0.094 0.000 1.126 58 R CA 0.685 56.755 56.100 -0.050 0.000 0.963 58 R CB -0.532 29.740 30.300 -0.047 0.000 0.858 58 R HN 0.133 nan 8.270 nan 0.000 0.435 59 I N -0.375 120.059 120.570 -0.226 0.000 2.113 59 I HA -0.395 3.775 4.170 -0.001 0.000 0.242 59 I C 1.808 177.848 176.117 -0.129 0.000 1.064 59 I CA 1.894 63.016 61.300 -0.297 0.000 1.320 59 I CB -0.487 37.097 38.000 -0.693 0.000 1.028 59 I HN 0.265 nan 8.210 nan 0.000 0.406 60 Y N 0.638 120.937 120.300 -0.000 0.000 2.181 60 Y HA -0.223 4.327 4.550 -0.001 0.000 0.288 60 Y C 2.648 178.566 175.900 0.029 0.000 1.146 60 Y CA 0.790 58.911 58.100 0.035 0.000 1.164 60 Y CB -0.361 38.128 38.460 0.048 0.000 0.982 60 Y HN 0.178 nan 8.280 nan 0.000 0.515 61 E N 0.684 120.977 120.200 0.155 0.000 2.049 61 E HA -0.240 4.110 4.350 -0.001 0.000 0.198 61 E C 2.071 178.714 176.600 0.072 0.000 1.007 61 E CA 1.840 58.295 56.400 0.092 0.000 0.809 61 E CB -0.306 29.425 29.700 0.052 0.000 0.749 61 E HN 0.482 nan 8.360 nan 0.000 0.450 62 I N 0.907 121.507 120.570 0.050 0.000 2.226 62 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 62 I C 2.619 178.779 176.117 0.072 0.000 1.100 62 I CA 1.113 62.438 61.300 0.042 0.000 1.374 62 I CB -0.275 37.733 38.000 0.014 0.000 1.057 62 I HN 0.156 nan 8.210 nan 0.000 0.413 63 E N 1.272 121.537 120.200 0.109 0.000 2.160 63 E HA -0.290 4.060 4.350 -0.001 0.000 0.195 63 E C 2.003 178.667 176.600 0.107 0.000 0.991 63 E CA 1.317 57.799 56.400 0.137 0.000 0.810 63 E CB 0.148 29.966 29.700 0.197 0.000 0.742 63 E HN 0.229 nan 8.360 nan 0.000 0.466 64 K N 0.673 121.130 120.400 0.095 0.000 2.113 64 K HA -0.153 4.167 4.320 -0.001 0.000 0.208 64 K C 1.949 178.580 176.600 0.053 0.000 1.047 64 K CA 1.433 57.760 56.287 0.066 0.000 0.928 64 K CB -0.021 32.514 32.500 0.058 0.000 0.716 64 K HN 0.181 nan 8.250 nan 0.000 0.446 65 E N -1.172 119.059 120.200 0.052 0.000 2.166 65 E HA -0.028 4.322 4.350 -0.001 0.000 0.192 65 E C 1.633 178.262 176.600 0.049 0.000 0.967 65 E CA 0.810 57.234 56.400 0.041 0.000 0.840 65 E CB 0.310 30.028 29.700 0.030 0.000 0.795 65 E HN 0.165 nan 8.360 nan 0.000 0.470 66 T N -0.052 114.541 114.554 0.065 0.000 2.985 66 T HA -0.043 4.306 4.350 -0.001 0.000 0.266 66 T C 0.206 174.974 174.700 0.113 0.000 1.076 66 T CA 0.201 62.349 62.100 0.081 0.000 1.135 66 T CB 0.037 68.963 68.868 0.097 0.000 0.890 66 T HN 0.088 nan 8.240 nan 0.000 0.480 67 R N 1.531 122.093 120.500 0.103 0.000 3.387 67 R HA -0.156 4.183 4.340 -0.001 0.000 0.254 67 R C -0.319 176.065 176.300 0.140 0.000 1.006 67 R CA 0.611 56.769 56.100 0.097 0.000 0.677 67 R CB -2.214 28.127 30.300 0.067 0.000 1.063 67 R HN 0.477 nan 8.270 nan 0.000 0.453 68 H N -0.460 118.650 119.070 0.067 0.000 3.240 68 H HA 0.058 4.614 4.556 -0.001 0.000 0.329 68 H C 0.134 175.534 175.328 0.120 0.000 1.024 68 H CA -0.439 55.653 56.048 0.074 0.000 1.487 68 H CB 0.997 30.785 29.762 0.044 0.000 1.909 68 H HN 0.135 nan 8.280 nan 0.000 0.465 69 D N 3.360 123.855 120.400 0.157 0.000 2.149 69 D HA -0.111 4.528 4.640 -0.001 0.000 0.201 69 D C 1.606 178.214 176.300 0.514 0.000 0.972 69 D CA 0.718 54.926 54.000 0.348 0.000 0.835 69 D CB -0.091 40.938 40.800 0.382 0.000 0.966 69 D HN 0.258 nan 8.370 nan 0.000 0.476 70 V N 0.662 120.853 119.914 0.462 0.000 2.453 70 V HA -0.167 3.953 4.120 -0.001 0.000 0.247 70 V C 2.833 179.084 176.094 0.262 0.000 1.048 70 V CA 1.032 63.524 62.300 0.319 0.000 1.049 70 V CB -0.275 31.590 31.823 0.069 0.000 0.672 70 V HN 0.111 nan 8.190 nan 0.000 0.457 71 V N 0.493 120.542 119.914 0.225 0.000 2.295 71 V HA -0.252 3.868 4.120 -0.001 0.000 0.246 71 V C 2.758 178.894 176.094 0.070 0.000 1.049 71 V CA 1.999 64.295 62.300 -0.007 0.000 1.024 71 V CB -1.133 30.588 31.823 -0.171 0.000 0.648 71 V HN 0.551 nan 8.190 nan 0.000 0.447 72 A N -0.327 122.589 122.820 0.161 0.000 1.908 72 A HA -0.282 4.037 4.320 -0.001 0.000 0.218 72 A C 2.120 179.748 177.584 0.073 0.000 1.181 72 A CA 2.277 54.379 52.037 0.108 0.000 0.627 72 A CB -0.748 18.337 19.000 0.142 0.000 0.818 72 A HN 0.557 nan 8.150 nan 0.000 0.445 73 F N 1.852 121.823 119.950 0.036 0.000 2.075 73 F HA -0.188 4.338 4.527 -0.001 0.000 0.297 73 F C 2.757 178.557 175.800 0.001 0.000 1.113 73 F CA 2.595 60.584 58.000 -0.019 0.000 1.218 73 F CB -0.772 38.378 39.000 0.249 0.000 0.984 73 F HN 0.329 nan 8.300 nan 0.000 0.472 74 T N -1.287 113.203 114.554 -0.106 0.000 2.867 74 T HA -0.124 4.226 4.350 -0.001 0.000 0.268 74 T C 2.084 176.672 174.700 -0.187 0.000 1.057 74 T CA 1.159 63.131 62.100 -0.213 0.000 1.136 74 T CB -0.569 68.244 68.868 -0.092 0.000 0.874 74 T HN 0.348 nan 8.240 nan 0.000 0.466 75 R N 1.153 121.578 120.500 -0.125 0.000 2.092 75 R HA 0.205 4.545 4.340 -0.001 0.000 0.231 75 R C 3.011 179.242 176.300 -0.116 0.000 1.119 75 R CA 1.160 57.202 56.100 -0.097 0.000 0.970 75 R CB -0.698 29.566 30.300 -0.060 0.000 0.864 75 R HN 0.536 nan 8.270 nan 0.000 0.440 76 A N 0.973 123.701 122.820 -0.153 0.000 1.902 76 A HA -0.115 4.205 4.320 -0.001 0.000 0.217 76 A C 2.378 179.866 177.584 -0.159 0.000 1.181 76 A CA 1.368 53.316 52.037 -0.150 0.000 0.623 76 A CB -0.522 18.377 19.000 -0.169 0.000 0.818 76 A HN 0.100 nan 8.150 nan 0.000 0.443 77 V N -0.207 119.542 119.914 -0.275 0.000 2.343 77 V HA -0.221 3.899 4.120 -0.001 0.000 0.247 77 V C 2.664 178.701 176.094 -0.095 0.000 1.051 77 V CA 2.300 64.482 62.300 -0.198 0.000 1.036 77 V CB -0.858 30.784 31.823 -0.302 0.000 0.654 77 V HN 0.539 nan 8.190 nan 0.000 0.451 78 S N -0.536 115.106 115.700 -0.096 0.000 2.469 78 S HA -0.172 4.298 4.470 -0.001 0.000 0.238 78 S C 1.656 176.224 174.600 -0.053 0.000 0.998 78 S CA 1.033 59.197 58.200 -0.060 0.000 0.957 78 S CB -0.318 62.845 63.200 -0.062 0.000 0.764 78 S HN 0.714 nan 8.310 nan 0.000 0.514 79 E N 0.796 120.960 120.200 -0.058 0.000 2.489 79 E HA 0.032 4.382 4.350 -0.001 0.000 0.193 79 E C -0.155 176.419 176.600 -0.042 0.000 1.057 79 E CA 0.016 56.387 56.400 -0.048 0.000 0.866 79 E CB 0.024 29.695 29.700 -0.048 0.000 0.916 79 E HN 0.228 nan 8.360 nan 0.000 0.500 80 T N 3.309 117.841 114.554 -0.037 0.000 2.758 80 T HA -0.011 4.339 4.350 -0.001 0.000 0.281 80 T C -1.781 172.896 174.700 -0.038 0.000 0.963 80 T CA -0.977 61.106 62.100 -0.030 0.000 1.201 80 T CB 0.674 69.539 68.868 -0.006 0.000 0.906 80 T HN 0.022 nan 8.240 nan 0.000 0.528 81 P HA -0.117 nan 4.420 nan 0.000 0.216 81 P C 1.417 178.664 177.300 -0.089 0.000 1.150 81 P CA 0.790 63.854 63.100 -0.060 0.000 0.843 81 P CB 0.088 31.755 31.700 -0.056 0.000 0.787 82 A N -1.188 121.562 122.820 -0.118 0.000 2.067 82 A HA -0.049 4.270 4.320 -0.001 0.000 0.219 82 A C 1.158 178.613 177.584 -0.215 0.000 1.158 82 A CA 0.613 52.498 52.037 -0.254 0.000 0.661 82 A CB -1.075 17.706 19.000 -0.365 0.000 0.801 82 A HN 0.139 nan 8.150 nan 0.000 0.452 83 L N 0.064 121.245 121.223 -0.070 0.000 2.331 83 L HA 0.418 4.757 4.340 -0.001 0.000 0.278 83 L C 1.188 178.043 176.870 -0.025 0.000 1.106 83 L CA -0.497 54.340 54.840 -0.006 0.000 0.824 83 L CB 1.240 43.315 42.059 0.026 0.000 1.142 83 L HN 0.349 nan 8.230 nan 0.000 0.443 84 G N 1.781 110.576 108.800 -0.008 0.000 2.773 84 G HA2 0.129 4.089 3.960 -0.001 0.000 0.186 84 G HA3 0.129 4.089 3.960 -0.001 0.000 0.186 84 G C 0.539 175.423 174.900 -0.026 0.000 1.411 84 G CA -0.228 44.860 45.100 -0.020 0.000 1.054 84 G HN 0.719 nan 8.290 nan 0.000 0.579 85 E N 0.658 120.835 120.200 -0.039 0.000 2.267 85 E HA -0.140 4.210 4.350 -0.001 0.000 0.197 85 E C 2.302 178.833 176.600 -0.116 0.000 0.998 85 E CA 1.026 57.376 56.400 -0.084 0.000 0.830 85 E CB 0.088 29.735 29.700 -0.088 0.000 0.751 85 E HN 0.622 nan 8.360 nan 0.000 0.491 86 E N 1.730 121.918 120.200 -0.021 0.000 2.333 86 E HA -0.281 4.068 4.350 -0.001 0.000 0.200 86 E C 1.686 178.307 176.600 0.035 0.000 1.010 86 E CA 1.260 57.700 56.400 0.066 0.000 0.841 86 E CB -0.404 29.414 29.700 0.197 0.000 0.757 86 E HN 0.445 nan 8.360 nan 0.000 0.508 87 R N 1.634 122.126 120.500 -0.013 0.000 2.200 87 R HA -0.122 4.218 4.340 -0.001 0.000 0.234 87 R C 2.396 178.656 176.300 -0.066 0.000 1.127 87 R CA 1.557 57.653 56.100 -0.008 0.000 0.989 87 R CB -0.709 29.577 30.300 -0.023 0.000 0.869 87 R HN 0.124 nan 8.270 nan 0.000 0.459 88 K N 1.188 121.452 120.400 -0.227 0.000 2.144 88 K HA -0.214 4.106 4.320 -0.001 0.000 0.209 88 K C 1.059 177.472 176.600 -0.312 0.000 1.047 88 K CA 2.118 58.171 56.287 -0.391 0.000 0.927 88 K CB -0.272 31.787 32.500 -0.734 0.000 0.716 88 K HN 0.521 nan 8.250 nan 0.000 0.454 89 W N 1.224 122.517 121.300 -0.013 0.000 2.770 89 W HA 0.105 4.765 4.660 -0.000 0.000 0.256 89 W C 0.511 177.093 176.519 0.105 0.000 1.291 89 W CA -0.847 56.483 57.345 -0.024 0.000 1.396 89 W CB 0.211 29.616 29.460 -0.092 0.000 1.114 89 W HN -0.260 nan 8.180 nan 0.000 0.637 90 V N 2.227 122.319 119.914 0.296 0.000 2.540 90 V HA -0.152 3.967 4.120 -0.001 0.000 0.297 90 V C 1.140 177.448 176.094 0.356 0.000 1.024 90 V CA 0.971 63.444 62.300 0.288 0.000 1.105 90 V CB -0.002 31.936 31.823 0.193 0.000 0.938 90 V HN 0.395 nan 8.190 nan 0.000 0.482 91 H N 2.973 122.192 119.070 0.248 0.000 3.257 91 H HA -0.225 4.331 4.556 -0.001 0.000 0.222 91 H C 0.130 175.605 175.328 0.246 0.000 1.143 91 H CA 0.696 56.873 56.048 0.215 0.000 1.152 91 H CB -0.884 28.963 29.762 0.141 0.000 1.188 91 H HN 0.750 nan 8.280 nan 0.000 0.315 92 Y N 1.477 121.903 120.300 0.210 0.000 2.677 92 Y HA 0.255 4.804 4.550 -0.001 0.000 0.335 92 Y C 1.566 177.591 175.900 0.209 0.000 1.162 92 Y CA 2.033 60.224 58.100 0.153 0.000 1.483 92 Y CB 0.026 38.543 38.460 0.096 0.000 1.209 92 Y HN 0.413 nan 8.280 nan 0.000 0.528 93 G N 4.634 113.274 108.800 -0.267 0.000 2.205 93 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.261 93 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.261 93 G C -0.058 174.838 174.900 -0.007 0.000 0.980 93 G CA 0.155 45.202 45.100 -0.088 0.000 0.632 93 G HN 0.646 nan 8.290 nan 0.000 0.533 94 L N 0.914 122.068 121.223 -0.114 0.000 2.395 94 L HA 0.585 4.925 4.340 -0.001 0.000 0.269 94 L C 1.009 177.733 176.870 -0.243 0.000 1.133 94 L CA 0.010 54.669 54.840 -0.302 0.000 0.812 94 L CB 1.405 43.041 42.059 -0.703 0.000 1.125 94 L HN 0.231 nan 8.230 nan 0.000 0.452 95 T N -0.083 114.407 114.554 -0.107 0.000 2.944 95 T HA 0.153 4.502 4.350 -0.001 0.000 0.284 95 T C 1.245 176.022 174.700 0.127 0.000 1.010 95 T CA -0.390 61.740 62.100 0.050 0.000 1.025 95 T CB 1.582 70.456 68.868 0.010 0.000 1.079 95 T HN 0.669 nan 8.240 nan 0.000 0.516 96 S N 1.318 117.126 115.700 0.179 0.000 2.389 96 S HA -0.132 4.337 4.470 -0.001 0.000 0.231 96 S C 1.863 176.466 174.600 0.004 0.000 1.052 96 S CA 2.220 60.506 58.200 0.142 0.000 1.053 96 S CB -0.399 62.895 63.200 0.157 0.000 0.886 96 S HN 0.852 nan 8.310 nan 0.000 0.456 97 T N 1.078 115.626 114.554 -0.009 0.000 3.037 97 T HA 0.058 4.407 4.350 -0.001 0.000 0.251 97 T C 1.088 175.749 174.700 -0.065 0.000 1.079 97 T CA 0.147 62.219 62.100 -0.048 0.000 1.067 97 T CB -0.151 68.716 68.868 -0.003 0.000 0.948 97 T HN 0.240 nan 8.240 nan 0.000 0.496 98 D N 1.582 121.944 120.400 -0.064 0.000 2.149 98 D HA -0.108 4.532 4.640 -0.001 0.000 0.194 98 D C 2.117 178.358 176.300 -0.098 0.000 1.001 98 D CA 0.979 54.931 54.000 -0.080 0.000 0.849 98 D CB -0.277 40.464 40.800 -0.097 0.000 0.939 98 D HN 0.248 nan 8.370 nan 0.000 0.449 99 V N 0.341 120.170 119.914 -0.142 0.000 2.302 99 V HA -0.149 3.971 4.120 -0.001 0.000 0.243 99 V C 2.655 178.541 176.094 -0.346 0.000 1.036 99 V CA 0.878 63.029 62.300 -0.248 0.000 1.020 99 V CB -0.427 31.186 31.823 -0.350 0.000 0.657 99 V HN 0.035 nan 8.190 nan 0.000 0.453 100 V N 0.175 119.853 119.914 -0.392 0.000 2.307 100 V HA -0.218 3.901 4.120 -0.001 0.000 0.245 100 V C 2.272 178.354 176.094 -0.020 0.000 1.045 100 V CA 2.178 64.309 62.300 -0.282 0.000 1.024 100 V CB -0.628 31.072 31.823 -0.204 0.000 0.651 100 V HN 0.502 nan 8.190 nan 0.000 0.449 101 D N -0.213 120.177 120.400 -0.018 0.000 2.123 101 D HA -0.101 4.539 4.640 -0.001 0.000 0.200 101 D C 2.347 178.674 176.300 0.046 0.000 0.976 101 D CA 1.625 55.650 54.000 0.041 0.000 0.831 101 D CB -0.267 40.549 40.800 0.026 0.000 0.974 101 D HN 0.365 nan 8.370 nan 0.000 0.469 102 T N 0.280 114.838 114.554 0.007 0.000 2.708 102 T HA -0.108 4.241 4.350 -0.001 0.000 0.266 102 T C 1.960 176.697 174.700 0.062 0.000 1.037 102 T CA 1.503 63.610 62.100 0.013 0.000 1.146 102 T CB -0.301 68.552 68.868 -0.024 0.000 0.865 102 T HN 0.167 nan 8.240 nan 0.000 0.435 103 A N 1.131 123.998 122.820 0.079 0.000 1.972 103 A HA 0.010 4.329 4.320 -0.001 0.000 0.219 103 A C 2.227 179.934 177.584 0.204 0.000 1.169 103 A CA 1.147 53.298 52.037 0.191 0.000 0.635 103 A CB -0.727 18.471 19.000 0.332 0.000 0.810 103 A HN 0.403 nan 8.150 nan 0.000 0.446 104 L N -0.078 121.249 121.223 0.173 0.000 2.017 104 L HA -0.092 4.248 4.340 -0.001 0.000 0.208 104 L C 2.479 179.405 176.870 0.093 0.000 1.073 104 L CA 2.590 57.526 54.840 0.160 0.000 0.745 104 L CB -0.732 41.442 42.059 0.191 0.000 0.894 104 L HN 0.270 nan 8.230 nan 0.000 0.432 105 S N -1.472 114.276 115.700 0.080 0.000 2.383 105 S HA -0.255 4.215 4.470 -0.001 0.000 0.229 105 S C 1.852 176.461 174.600 0.014 0.000 1.030 105 S CA 1.566 59.771 58.200 0.009 0.000 1.002 105 S CB -0.691 62.508 63.200 -0.002 0.000 0.829 105 S HN 0.660 nan 8.310 nan 0.000 0.467 106 Y N 1.378 121.641 120.300 -0.061 0.000 2.145 106 Y HA -0.194 4.356 4.550 -0.001 0.000 0.286 106 Y C 1.919 177.748 175.900 -0.118 0.000 1.145 106 Y CA 1.301 59.356 58.100 -0.073 0.000 1.148 106 Y CB -0.182 38.253 38.460 -0.043 0.000 0.981 106 Y HN 0.124 nan 8.280 nan 0.000 0.507 107 I N 0.235 120.684 120.570 -0.202 0.000 2.252 107 I HA -0.301 3.869 4.170 -0.001 0.000 0.245 107 I C 2.262 178.112 176.117 -0.444 0.000 1.102 107 I CA 1.246 62.281 61.300 -0.443 0.000 1.385 107 I CB -0.697 37.004 38.000 -0.499 0.000 1.064 107 I HN 0.286 nan 8.210 nan 0.000 0.414 108 L N 0.022 121.099 121.223 -0.245 0.000 2.083 108 L HA -0.259 4.081 4.340 -0.001 0.000 0.209 108 L C 2.552 179.325 176.870 -0.161 0.000 1.083 108 L CA 1.403 56.154 54.840 -0.147 0.000 0.752 108 L CB -0.567 41.395 42.059 -0.162 0.000 0.899 108 L HN 0.253 nan 8.230 nan 0.000 0.433 109 K N 0.008 120.291 120.400 -0.195 0.000 2.063 109 K HA -0.239 4.080 4.320 -0.001 0.000 0.208 109 K C 2.095 178.593 176.600 -0.170 0.000 1.048 109 K CA 1.569 57.757 56.287 -0.165 0.000 0.928 109 K CB 0.003 32.410 32.500 -0.155 0.000 0.713 109 K HN 0.386 nan 8.250 nan 0.000 0.442 110 Q N -0.246 119.377 119.800 -0.294 0.000 2.084 110 Q HA -0.151 4.188 4.340 -0.001 0.000 0.202 110 Q C 2.168 178.081 176.000 -0.145 0.000 0.978 110 Q CA 1.504 57.150 55.803 -0.262 0.000 0.844 110 Q CB -0.200 28.304 28.738 -0.390 0.000 0.898 110 Q HN 0.410 nan 8.270 nan 0.000 0.426 111 A N 1.667 124.407 122.820 -0.133 0.000 1.908 111 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 111 A C 1.776 179.445 177.584 0.142 0.000 1.181 111 A CA 1.722 53.775 52.037 0.028 0.000 0.627 111 A CB -0.470 18.632 19.000 0.169 0.000 0.818 111 A HN 0.287 nan 8.150 nan 0.000 0.445 112 N N -0.197 118.607 118.700 0.174 0.000 2.270 112 N HA -0.082 4.658 4.740 -0.001 0.000 0.181 112 N C 1.583 177.260 175.510 0.278 0.000 1.016 112 N CA 1.258 54.530 53.050 0.371 0.000 0.870 112 N CB -0.389 38.261 38.487 0.272 0.000 0.979 112 N HN 0.666 nan 8.380 nan 0.000 0.431 113 E N 0.639 120.909 120.200 0.116 0.000 2.058 113 E HA -0.119 4.231 4.350 -0.001 0.000 0.194 113 E C 1.875 178.506 176.600 0.051 0.000 0.997 113 E CA 0.823 57.265 56.400 0.070 0.000 0.801 113 E CB -0.087 29.617 29.700 0.008 0.000 0.746 113 E HN 0.348 nan 8.360 nan 0.000 0.450 114 I N 0.612 121.204 120.570 0.038 0.000 2.202 114 I HA -0.268 3.901 4.170 -0.001 0.000 0.242 114 I C 2.305 178.419 176.117 -0.004 0.000 1.091 114 I CA 1.027 62.339 61.300 0.020 0.000 1.368 114 I CB -0.187 37.828 38.000 0.025 0.000 1.058 114 I HN 0.108 nan 8.210 nan 0.000 0.410 115 I N 0.030 120.594 120.570 -0.011 0.000 2.252 115 I HA -0.281 3.889 4.170 -0.001 0.000 0.245 115 I C 2.463 178.383 176.117 -0.328 0.000 1.102 115 I CA 0.978 62.172 61.300 -0.177 0.000 1.385 115 I CB -0.227 37.628 38.000 -0.242 0.000 1.064 115 I HN 0.212 nan 8.210 nan 0.000 0.414 116 L N 0.991 122.083 121.223 -0.217 0.000 2.012 116 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 116 L C 2.465 179.298 176.870 -0.062 0.000 1.073 116 L CA 1.942 56.709 54.840 -0.121 0.000 0.748 116 L CB -0.756 41.379 42.059 0.126 0.000 0.891 116 L HN 0.091 nan 8.230 nan 0.000 0.431 117 K N -0.383 120.003 120.400 -0.024 0.000 2.044 117 K HA -0.219 4.101 4.320 -0.001 0.000 0.210 117 K C 1.787 178.379 176.600 -0.013 0.000 1.049 117 K CA 2.020 58.302 56.287 -0.007 0.000 0.927 117 K CB -0.381 32.120 32.500 0.002 0.000 0.713 117 K HN 0.457 nan 8.250 nan 0.000 0.443 118 D N 0.813 121.190 120.400 -0.038 0.000 2.117 118 D HA -0.154 4.486 4.640 -0.001 0.000 0.197 118 D C 2.120 178.422 176.300 0.003 0.000 0.987 118 D CA 0.829 54.812 54.000 -0.028 0.000 0.829 118 D CB -0.208 40.554 40.800 -0.064 0.000 0.961 118 D HN 0.199 nan 8.370 nan 0.000 0.460 119 L N 0.698 121.889 121.223 -0.052 0.000 2.027 119 L HA -0.157 4.182 4.340 -0.001 0.000 0.206 119 L C 2.405 179.302 176.870 0.045 0.000 1.074 119 L CA 1.208 56.043 54.840 -0.007 0.000 0.745 119 L CB -0.248 41.737 42.059 -0.124 0.000 0.898 119 L HN -0.024 nan 8.230 nan 0.000 0.433 120 E N -0.237 119.970 120.200 0.011 0.000 2.077 120 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 120 E C 1.930 178.557 176.600 0.046 0.000 0.989 120 E CA 1.051 57.463 56.400 0.020 0.000 0.800 120 E CB -0.012 29.696 29.700 0.014 0.000 0.746 120 E HN 0.425 nan 8.360 nan 0.000 0.452 121 N N 0.263 119.000 118.700 0.063 0.000 2.166 121 N HA -0.168 4.571 4.740 -0.001 0.000 0.186 121 N C 1.535 177.133 175.510 0.147 0.000 1.019 121 N CA 0.828 53.928 53.050 0.083 0.000 0.856 121 N CB -0.326 38.203 38.487 0.070 0.000 0.993 121 N HN 0.132 nan 8.380 nan 0.000 0.426 122 F N 1.705 121.653 119.950 -0.004 0.000 2.163 122 F HA -0.020 4.506 4.527 -0.001 0.000 0.297 122 F C 2.099 177.927 175.800 0.045 0.000 1.094 122 F CA 0.521 58.528 58.000 0.012 0.000 1.290 122 F CB -0.569 38.433 39.000 0.003 0.000 1.017 122 F HN -0.238 nan 8.300 nan 0.000 0.483 123 V N -0.411 119.447 119.914 -0.092 0.000 2.332 123 V HA -0.319 3.801 4.120 -0.001 0.000 0.248 123 V C 2.564 178.678 176.094 0.032 0.000 1.055 123 V CA 2.169 64.393 62.300 -0.127 0.000 1.038 123 V CB -1.117 30.636 31.823 -0.118 0.000 0.651 123 V HN 0.346 nan 8.190 nan 0.000 0.450 124 S N -0.334 115.392 115.700 0.043 0.000 2.368 124 S HA -0.112 4.358 4.470 -0.001 0.000 0.225 124 S C 1.879 176.491 174.600 0.021 0.000 1.030 124 S CA 1.623 59.853 58.200 0.051 0.000 0.999 124 S CB -0.345 62.882 63.200 0.045 0.000 0.844 124 S HN 0.501 nan 8.310 nan 0.000 0.459 125 I N 1.381 121.965 120.570 0.023 0.000 2.208 125 I HA -0.223 3.947 4.170 -0.001 0.000 0.245 125 I C 2.053 178.155 176.117 -0.025 0.000 1.097 125 I CA 1.161 62.476 61.300 0.024 0.000 1.363 125 I CB -0.348 37.714 38.000 0.103 0.000 1.051 125 I HN 0.242 nan 8.210 nan 0.000 0.413 126 L N 0.175 121.335 121.223 -0.105 0.000 2.046 126 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 126 L C 2.843 179.651 176.870 -0.103 0.000 1.077 126 L CA 1.276 56.055 54.840 -0.102 0.000 0.747 126 L CB -0.731 41.235 42.059 -0.155 0.000 0.896 126 L HN 0.250 nan 8.230 nan 0.000 0.432 127 A N 0.599 123.359 122.820 -0.099 0.000 1.883 127 A HA -0.307 4.012 4.320 -0.001 0.000 0.217 127 A C 2.033 179.519 177.584 -0.163 0.000 1.186 127 A CA 2.385 54.248 52.037 -0.291 0.000 0.624 127 A CB -0.954 17.889 19.000 -0.262 0.000 0.822 127 A HN 0.541 nan 8.150 nan 0.000 0.444 128 N N -0.865 117.789 118.700 -0.076 0.000 2.104 128 N HA -0.227 4.513 4.740 -0.001 0.000 0.190 128 N C 1.719 177.217 175.510 -0.021 0.000 1.024 128 N CA 1.977 55.004 53.050 -0.039 0.000 0.853 128 N CB -0.162 38.318 38.487 -0.012 0.000 1.008 128 N HN 0.339 nan 8.380 nan 0.000 0.424 129 K N 0.164 120.558 120.400 -0.010 0.000 2.097 129 K HA 0.121 4.441 4.320 -0.001 0.000 0.205 129 K C 1.790 178.411 176.600 0.034 0.000 1.050 129 K CA 1.178 57.493 56.287 0.047 0.000 0.938 129 K CB -0.527 31.993 32.500 0.033 0.000 0.718 129 K HN 0.313 nan 8.250 nan 0.000 0.442 130 A N 0.837 123.617 122.820 -0.068 0.000 1.902 130 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 130 A C 1.896 179.564 177.584 0.141 0.000 1.181 130 A CA 1.813 53.825 52.037 -0.041 0.000 0.623 130 A CB -0.400 18.460 19.000 -0.234 0.000 0.818 130 A HN 0.305 nan 8.150 nan 0.000 0.443 131 K N -0.617 119.832 120.400 0.082 0.000 2.057 131 K HA -0.157 4.162 4.320 -0.001 0.000 0.206 131 K C 2.110 178.681 176.600 -0.049 0.000 1.050 131 K CA 1.389 57.718 56.287 0.069 0.000 0.935 131 K CB -0.144 32.368 32.500 0.020 0.000 0.715 131 K HN 0.692 nan 8.250 nan 0.000 0.439 132 E N 0.440 120.597 120.200 -0.071 0.000 2.118 132 E HA -0.204 4.145 4.350 -0.001 0.000 0.195 132 E C 0.610 176.992 176.600 -0.362 0.000 0.992 132 E CA 1.334 57.606 56.400 -0.214 0.000 0.804 132 E CB 0.106 29.666 29.700 -0.233 0.000 0.741 132 E HN 0.454 nan 8.360 nan 0.000 0.458 133 H N -1.148 117.912 119.070 -0.018 0.000 2.486 133 H HA 0.190 4.745 4.556 -0.001 0.000 0.284 133 H C 1.133 176.399 175.328 -0.104 0.000 1.103 133 H CA -0.167 55.883 56.048 0.005 0.000 1.089 133 H CB 0.601 30.444 29.762 0.136 0.000 1.603 133 H HN 0.014 nan 8.280 nan 0.000 0.557 134 K N 0.446 120.718 120.400 -0.213 0.000 2.127 134 K HA -0.194 4.125 4.320 -0.001 0.000 0.208 134 K C -0.004 176.114 176.600 -0.804 0.000 1.047 134 K CA 1.639 57.519 56.287 -0.678 0.000 0.927 134 K CB 0.077 31.920 32.500 -1.094 0.000 0.716 134 K HN 0.447 nan 8.250 nan 0.000 0.450 135 Y N 0.075 120.314 120.300 -0.101 0.000 2.720 135 Y HA 0.179 4.729 4.550 -0.001 0.000 0.277 135 Y C -0.333 175.574 175.900 0.012 0.000 1.144 135 Y CA -0.590 57.480 58.100 -0.050 0.000 1.221 135 Y CB 1.031 39.457 38.460 -0.057 0.000 1.163 135 Y HN -0.187 nan 8.280 nan 0.000 0.537 136 T N 2.272 116.899 114.554 0.121 0.000 2.855 136 T HA 0.162 4.512 4.350 -0.001 0.000 0.290 136 T C 0.055 174.797 174.700 0.070 0.000 0.941 136 T CA -0.131 62.054 62.100 0.142 0.000 1.030 136 T CB -0.231 68.798 68.868 0.269 0.000 0.935 136 T HN 0.127 nan 8.240 nan 0.000 0.564 137 I N 5.305 125.877 120.570 0.004 0.000 2.648 137 I HA 0.390 4.560 4.170 -0.001 0.000 0.284 137 I C 0.115 176.145 176.117 -0.145 0.000 1.153 137 I CA 0.332 61.567 61.300 -0.110 0.000 1.426 137 I CB 0.129 37.938 38.000 -0.317 0.000 1.381 137 I HN 0.681 nan 8.210 nan 0.000 0.571 138 M N 5.816 125.328 119.600 -0.147 0.000 2.773 138 M HA 0.452 4.931 4.480 -0.001 0.000 0.270 138 M C -1.625 174.566 176.300 -0.182 0.000 1.238 138 M CA -1.039 54.170 55.300 -0.151 0.000 0.832 138 M CB 1.617 34.162 32.600 -0.091 0.000 1.672 138 M HN 0.177 nan 8.290 nan 0.000 0.480 139 M N 2.221 121.687 119.600 -0.224 0.000 2.219 139 M HA 0.334 4.813 4.480 -0.001 0.000 0.353 139 M C 0.539 176.743 176.300 -0.160 0.000 1.304 139 M CA 0.196 55.323 55.300 -0.288 0.000 1.115 139 M CB 0.349 32.630 32.600 -0.533 0.000 1.664 139 M HN 0.890 nan 8.290 nan 0.000 0.459 140 G N 4.219 112.938 108.800 -0.136 0.000 2.432 140 G HA2 0.501 4.460 3.960 -0.001 0.000 0.257 140 G HA3 0.501 4.460 3.960 -0.001 0.000 0.257 140 G C -0.387 174.494 174.900 -0.032 0.000 1.238 140 G CA -0.620 44.443 45.100 -0.061 0.000 0.838 140 G HN 0.692 nan 8.290 nan 0.000 0.547 141 R N 0.552 121.065 120.500 0.022 0.000 2.532 141 R HA 0.552 4.892 4.340 -0.001 0.000 0.297 141 R C -0.564 175.772 176.300 0.060 0.000 0.984 141 R CA -0.687 55.457 56.100 0.075 0.000 0.884 141 R CB 2.167 32.530 30.300 0.104 0.000 1.182 141 R HN 0.671 nan 8.270 nan 0.000 0.442 142 T N -1.071 113.533 114.554 0.084 0.000 2.841 142 T HA 0.274 4.624 4.350 -0.001 0.000 0.283 142 T C 0.212 175.000 174.700 0.147 0.000 1.000 142 T CA -0.818 61.305 62.100 0.040 0.000 0.977 142 T CB 0.894 69.792 68.868 0.051 0.000 0.979 142 T HN 0.850 nan 8.240 nan 0.000 0.446 143 H N 1.434 120.525 119.070 0.036 0.000 2.820 143 H HA -0.258 4.298 4.556 -0.001 0.000 0.295 143 H C 1.542 176.883 175.328 0.022 0.000 1.187 143 H CA 1.046 57.108 56.048 0.024 0.000 1.144 143 H CB -1.759 28.013 29.762 0.017 0.000 1.354 143 H HN 1.693 nan 8.280 nan 0.000 0.395 144 G N -1.101 107.765 108.800 0.110 0.000 2.175 144 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.265 144 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.265 144 G C 0.314 175.271 174.900 0.095 0.000 0.979 144 G CA 0.517 45.670 45.100 0.088 0.000 0.663 144 G HN 0.499 nan 8.290 nan 0.000 0.533 145 V N 0.655 120.644 119.914 0.125 0.000 2.815 145 V HA 0.547 4.666 4.120 -0.001 0.000 0.314 145 V C 0.457 176.679 176.094 0.215 0.000 1.064 145 V CA -1.439 60.930 62.300 0.115 0.000 0.952 145 V CB 1.677 33.544 31.823 0.073 0.000 1.020 145 V HN 0.313 nan 8.190 nan 0.000 0.439 146 H N 2.006 121.128 119.070 0.087 0.000 3.070 146 H HA 0.363 4.918 4.556 -0.001 0.000 0.313 146 H C 0.559 175.899 175.328 0.021 0.000 0.997 146 H CA 0.674 56.744 56.048 0.037 0.000 1.438 146 H CB 0.927 30.704 29.762 0.024 0.000 1.455 146 H HN 0.830 nan 8.280 nan 0.000 0.575 147 A N 3.776 126.640 122.820 0.073 0.000 2.392 147 A HA 0.322 4.641 4.320 -0.001 0.000 0.217 147 A C -0.027 177.507 177.584 -0.085 0.000 2.391 147 A CA 0.030 52.080 52.037 0.022 0.000 1.329 147 A CB 0.606 19.628 19.000 0.038 0.000 1.199 147 A HN 0.656 nan 8.150 nan 0.000 0.527 148 E N -0.573 119.553 120.200 -0.124 0.000 2.416 148 E HA 0.442 4.792 4.350 -0.001 0.000 0.273 148 E C -2.894 173.540 176.600 -0.276 0.000 0.935 148 E CA -2.317 53.933 56.400 -0.250 0.000 0.784 148 E CB 1.835 31.448 29.700 -0.145 0.000 1.301 148 E HN 0.127 nan 8.360 nan 0.000 0.454 149 P HA 0.017 nan 4.420 nan 0.000 0.269 149 P C -0.544 176.687 177.300 -0.115 0.000 1.209 149 P CA 0.215 63.150 63.100 -0.276 0.000 0.776 149 P CB 0.803 32.336 31.700 -0.278 0.000 0.876 150 T N -0.036 114.474 114.554 -0.073 0.000 2.590 150 T HA 0.697 5.047 4.350 -0.001 0.000 0.282 150 T C -1.070 173.625 174.700 -0.008 0.000 0.989 150 T CA -0.349 61.746 62.100 -0.009 0.000 1.091 150 T CB 0.849 69.711 68.868 -0.009 0.000 1.460 150 T HN 0.478 nan 8.240 nan 0.000 0.499 151 T N -0.549 114.009 114.554 0.008 0.000 2.907 151 T HA 0.534 4.883 4.350 -0.001 0.000 0.292 151 T C 0.462 175.190 174.700 0.046 0.000 1.043 151 T CA -0.616 61.496 62.100 0.022 0.000 1.003 151 T CB 1.211 70.073 68.868 -0.010 0.000 1.084 151 T HN 0.389 nan 8.240 nan 0.000 0.483 152 F N 2.449 122.342 119.950 -0.095 0.000 2.202 152 F HA 0.133 4.659 4.527 -0.001 0.000 0.301 152 F C 2.232 177.953 175.800 -0.131 0.000 1.082 152 F CA 1.961 59.875 58.000 -0.144 0.000 1.313 152 F CB -0.850 38.042 39.000 -0.180 0.000 1.024 152 F HN 0.823 nan 8.300 nan 0.000 0.495 153 G N 0.220 108.974 108.800 -0.076 0.000 2.422 153 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.218 153 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.218 153 G C 1.845 176.744 174.900 -0.003 0.000 1.146 153 G CA 0.897 45.969 45.100 -0.046 0.000 0.769 153 G HN 0.428 nan 8.290 nan 0.000 0.547 154 L N -0.123 121.104 121.223 0.007 0.000 2.109 154 L HA 0.021 4.361 4.340 -0.001 0.000 0.207 154 L C 2.801 179.551 176.870 -0.201 0.000 1.086 154 L CA 1.215 56.056 54.840 0.002 0.000 0.760 154 L CB -0.242 41.835 42.059 0.029 0.000 0.910 154 L HN 0.224 nan 8.230 nan 0.000 0.437 155 K N 0.654 120.861 120.400 -0.321 0.000 2.026 155 K HA -0.186 4.133 4.320 -0.001 0.000 0.208 155 K C 2.114 178.134 176.600 -0.966 0.000 1.048 155 K CA 1.380 57.338 56.287 -0.547 0.000 0.929 155 K CB -0.070 32.130 32.500 -0.500 0.000 0.713 155 K HN 0.202 nan 8.250 nan 0.000 0.439 156 L N -0.108 120.531 121.223 -0.972 0.000 2.093 156 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 156 L C 2.527 179.145 176.870 -0.422 0.000 1.085 156 L CA 1.266 55.607 54.840 -0.832 0.000 0.755 156 L CB -0.556 41.095 42.059 -0.680 0.000 0.904 156 L HN 0.401 nan 8.230 nan 0.000 0.435 157 G N -0.023 108.542 108.800 -0.391 0.000 2.443 157 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.219 157 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.219 157 G C 1.613 176.431 174.900 -0.137 0.000 1.131 157 G CA 0.532 45.422 45.100 -0.350 0.000 0.775 157 G HN 0.243 nan 8.290 nan 0.000 0.547 158 L N -0.644 120.484 121.223 -0.157 0.000 2.093 158 L HA 0.093 4.433 4.340 -0.001 0.000 0.208 158 L C 2.467 179.436 176.870 0.164 0.000 1.085 158 L CA 1.279 56.108 54.840 -0.019 0.000 0.755 158 L CB -0.270 41.767 42.059 -0.038 0.000 0.904 158 L HN 0.273 nan 8.230 nan 0.000 0.435 159 W N -1.185 120.086 121.300 -0.049 0.000 2.381 159 W HA -0.171 4.489 4.660 -0.001 0.000 0.301 159 W C 2.629 179.098 176.519 -0.084 0.000 1.205 159 W CA 0.931 58.249 57.345 -0.044 0.000 1.285 159 W CB -1.507 27.931 29.460 -0.037 0.000 1.133 159 W HN 0.286 nan 8.180 nan 0.000 0.521 160 Y N 1.940 122.242 120.300 0.004 0.000 2.097 160 Y HA -0.320 4.229 4.550 -0.001 0.000 0.282 160 Y C 2.542 178.389 175.900 -0.088 0.000 1.152 160 Y CA 2.731 60.760 58.100 -0.119 0.000 1.136 160 Y CB -0.606 37.737 38.460 -0.196 0.000 0.975 160 Y HN -0.051 nan 8.280 nan 0.000 0.498 161 E N 0.496 120.670 120.200 -0.042 0.000 2.152 161 E HA -0.192 4.158 4.350 -0.001 0.000 0.192 161 E C 2.145 178.686 176.600 -0.098 0.000 0.983 161 E CA 1.486 57.813 56.400 -0.121 0.000 0.818 161 E CB -0.339 29.361 29.700 0.000 0.000 0.758 161 E HN 0.683 nan 8.360 nan 0.000 0.467 162 E N -0.793 119.396 120.200 -0.019 0.000 2.077 162 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 162 E C 1.696 178.272 176.600 -0.041 0.000 0.989 162 E CA 1.478 57.877 56.400 -0.002 0.000 0.800 162 E CB -0.026 29.707 29.700 0.055 0.000 0.746 162 E HN 0.230 nan 8.360 nan 0.000 0.452 163 M N 0.707 120.260 119.600 -0.078 0.000 2.229 163 M HA -0.087 4.392 4.480 -0.001 0.000 0.264 163 M C 1.908 178.124 176.300 -0.140 0.000 1.063 163 M CA 1.217 56.464 55.300 -0.088 0.000 1.114 163 M CB -0.533 31.995 32.600 -0.119 0.000 1.387 163 M HN 0.030 nan 8.290 nan 0.000 0.420 164 K N 0.023 120.273 120.400 -0.249 0.000 2.057 164 K HA -0.098 4.222 4.320 -0.001 0.000 0.207 164 K C 2.094 178.633 176.600 -0.102 0.000 1.049 164 K CA 1.049 57.202 56.287 -0.224 0.000 0.931 164 K CB -0.338 31.965 32.500 -0.329 0.000 0.714 164 K HN 0.405 nan 8.250 nan 0.000 0.440 165 R N 0.838 121.293 120.500 -0.075 0.000 2.091 165 R HA -0.093 4.247 4.340 -0.001 0.000 0.238 165 R C 2.005 178.310 176.300 0.007 0.000 1.136 165 R CA 1.264 57.349 56.100 -0.024 0.000 0.959 165 R CB -0.299 29.992 30.300 -0.014 0.000 0.856 165 R HN 0.219 nan 8.270 nan 0.000 0.437 166 N N 0.291 118.995 118.700 0.007 0.000 2.223 166 N HA -0.112 4.628 4.740 -0.001 0.000 0.185 166 N C 1.840 177.400 175.510 0.083 0.000 1.016 166 N CA 0.886 53.963 53.050 0.044 0.000 0.863 166 N CB -0.233 38.273 38.487 0.031 0.000 0.983 166 N HN 0.019 nan 8.380 nan 0.000 0.429 167 V N 1.248 121.189 119.914 0.046 0.000 2.343 167 V HA -0.197 3.923 4.120 -0.001 0.000 0.247 167 V C 2.410 178.578 176.094 0.122 0.000 1.051 167 V CA 1.631 63.979 62.300 0.081 0.000 1.036 167 V CB -0.414 31.415 31.823 0.011 0.000 0.654 167 V HN 0.237 nan 8.190 nan 0.000 0.451 168 E N 0.529 120.770 120.200 0.068 0.000 2.072 168 E HA -0.183 4.166 4.350 -0.001 0.000 0.191 168 E C 2.308 178.957 176.600 0.081 0.000 0.985 168 E CA 1.392 57.830 56.400 0.062 0.000 0.801 168 E CB -0.265 29.453 29.700 0.031 0.000 0.750 168 E HN 0.470 nan 8.360 nan 0.000 0.452 169 R N -0.920 119.637 120.500 0.095 0.000 2.091 169 R HA -0.144 4.196 4.340 -0.001 0.000 0.238 169 R C 2.362 178.733 176.300 0.117 0.000 1.136 169 R CA 1.600 57.769 56.100 0.115 0.000 0.959 169 R CB -0.595 29.775 30.300 0.116 0.000 0.856 169 R HN 0.261 nan 8.270 nan 0.000 0.437 170 F N 1.817 121.778 119.950 0.019 0.000 2.134 170 F HA -0.168 4.359 4.527 -0.001 0.000 0.299 170 F C 1.891 177.700 175.800 0.015 0.000 1.097 170 F CA 1.508 59.515 58.000 0.013 0.000 1.264 170 F CB 0.109 39.118 39.000 0.014 0.000 1.001 170 F HN -0.164 nan 8.300 nan 0.000 0.479 171 K N -0.315 120.116 120.400 0.052 0.000 2.097 171 K HA -0.186 4.134 4.320 -0.001 0.000 0.206 171 K C 2.081 178.608 176.600 -0.122 0.000 1.049 171 K CA 1.357 57.620 56.287 -0.040 0.000 0.933 171 K CB -0.206 32.322 32.500 0.047 0.000 0.717 171 K HN 0.281 nan 8.250 nan 0.000 0.442 172 Q N 0.187 119.947 119.800 -0.067 0.000 2.084 172 Q HA -0.093 4.247 4.340 -0.001 0.000 0.202 172 Q C 2.226 178.109 176.000 -0.196 0.000 0.978 172 Q CA 1.669 57.444 55.803 -0.047 0.000 0.844 172 Q CB -0.357 28.431 28.738 0.084 0.000 0.898 172 Q HN 0.340 nan 8.270 nan 0.000 0.426 173 A N 1.104 123.710 122.820 -0.357 0.000 1.898 173 A HA -0.005 4.314 4.320 -0.001 0.000 0.216 173 A C 2.355 179.691 177.584 -0.413 0.000 1.181 173 A CA 1.750 53.422 52.037 -0.608 0.000 0.620 173 A CB -0.676 18.047 19.000 -0.461 0.000 0.819 173 A HN 0.348 nan 8.150 nan 0.000 0.442 174 A N 0.145 122.649 122.820 -0.527 0.000 1.940 174 A HA -0.238 4.082 4.320 -0.001 0.000 0.219 174 A C 1.957 179.353 177.584 -0.314 0.000 1.176 174 A CA 2.159 53.906 52.037 -0.484 0.000 0.631 174 A CB -0.750 17.888 19.000 -0.603 0.000 0.814 174 A HN 0.617 nan 8.150 nan 0.000 0.446 175 N N -1.292 117.258 118.700 -0.250 0.000 2.216 175 N HA -0.105 4.635 4.740 -0.001 0.000 0.183 175 N C 1.766 177.180 175.510 -0.160 0.000 1.017 175 N CA 1.752 54.703 53.050 -0.165 0.000 0.861 175 N CB -0.306 38.117 38.487 -0.106 0.000 0.986 175 N HN 0.345 nan 8.380 nan 0.000 0.428 176 T N -0.986 113.459 114.554 -0.183 0.000 2.881 176 T HA -0.077 4.272 4.350 -0.001 0.000 0.270 176 T C 1.401 175.972 174.700 -0.216 0.000 1.068 176 T CA 1.437 63.449 62.100 -0.148 0.000 1.131 176 T CB -0.175 68.642 68.868 -0.085 0.000 0.871 176 T HN 0.216 nan 8.240 nan 0.000 0.479 177 V N -1.119 118.609 119.914 -0.310 0.000 3.542 177 V HA 0.486 4.606 4.120 -0.001 0.000 0.296 177 V C 1.233 177.162 176.094 -0.275 0.000 1.364 177 V CA -0.132 61.932 62.300 -0.394 0.000 1.118 177 V CB -0.642 30.805 31.823 -0.627 0.000 0.972 177 V HN 0.154 nan 8.190 nan 0.000 0.430 178 R N 0.900 121.278 120.500 -0.203 0.000 4.680 178 R HA 0.561 4.900 4.340 -0.001 0.000 0.222 178 R C -0.920 175.325 176.300 -0.092 0.000 1.803 178 R CA 0.102 56.122 56.100 -0.134 0.000 1.560 178 R CB 0.537 30.767 30.300 -0.116 0.000 1.412 178 R HN 0.442 nan 8.270 nan 0.000 0.815 179 V N 0.231 120.092 119.914 -0.088 0.000 2.971 179 V HA 0.799 4.919 4.120 -0.001 0.000 0.309 179 V C -0.653 175.419 176.094 -0.037 0.000 1.130 179 V CA -0.477 61.787 62.300 -0.059 0.000 0.964 179 V CB 2.141 33.926 31.823 -0.064 0.000 1.029 179 V HN 0.504 nan 8.190 nan 0.000 0.427 180 G N 3.696 112.480 108.800 -0.027 0.000 2.600 180 G HA2 0.831 4.790 3.960 -0.001 0.000 0.303 180 G HA3 0.831 4.790 3.960 -0.001 0.000 0.303 180 G C -1.476 173.412 174.900 -0.020 0.000 1.253 180 G CA -0.734 44.354 45.100 -0.020 0.000 0.974 180 G HN 1.110 nan 8.290 nan 0.000 0.483 181 K N -1.189 119.196 120.400 -0.025 0.000 2.543 181 K HA 0.673 4.993 4.320 -0.001 0.000 0.255 181 K C -1.524 175.049 176.600 -0.045 0.000 0.934 181 K CA -0.735 55.533 56.287 -0.031 0.000 0.810 181 K CB 1.786 34.262 32.500 -0.041 0.000 1.315 181 K HN 0.279 nan 8.250 nan 0.000 0.433 182 L N 2.513 123.712 121.223 -0.040 0.000 2.511 182 L HA 0.294 4.633 4.340 -0.001 0.000 0.252 182 L C -0.076 176.755 176.870 -0.064 0.000 1.542 182 L CA 0.003 54.811 54.840 -0.054 0.000 0.822 182 L CB 1.408 43.438 42.059 -0.048 0.000 1.050 182 L HN 0.937 nan 8.230 nan 0.000 0.516 183 S N -1.775 113.804 115.700 -0.201 0.000 2.578 183 S HA 0.680 5.149 4.470 -0.001 0.000 0.231 183 S C 0.900 175.294 174.600 -0.342 0.000 0.994 183 S CA -0.016 57.865 58.200 -0.532 0.000 0.956 183 S CB 0.611 63.316 63.200 -0.825 0.000 0.870 183 S HN 0.739 nan 8.310 nan 0.000 0.494 184 G N 1.299 110.001 108.800 -0.163 0.000 2.725 184 G HA2 0.087 4.047 3.960 -0.001 0.000 0.220 184 G HA3 0.087 4.047 3.960 -0.001 0.000 0.220 184 G C 0.825 175.674 174.900 -0.084 0.000 1.357 184 G CA -0.350 44.693 45.100 -0.094 0.000 0.866 184 G HN 1.133 nan 8.290 nan 0.000 0.548 185 A N -1.117 121.676 122.820 -0.046 0.000 1.915 185 A HA 0.086 4.406 4.320 -0.001 0.000 0.220 185 A C 2.476 180.044 177.584 -0.027 0.000 1.198 185 A CA 4.651 56.675 52.037 -0.022 0.000 0.647 185 A CB -0.720 18.276 19.000 -0.007 0.000 0.825 185 A HN 2.430 nan 8.150 nan 0.000 0.456 186 V N -5.817 114.071 119.914 -0.044 0.000 3.166 186 V HA 0.644 4.764 4.120 -0.001 0.000 0.332 186 V C 0.894 176.941 176.094 -0.078 0.000 1.434 186 V CA 0.508 62.784 62.300 -0.040 0.000 1.121 186 V CB -0.549 31.265 31.823 -0.016 0.000 1.062 186 V HN 1.806 nan 8.190 nan 0.000 0.489 187 G N 1.273 109.985 108.800 -0.147 0.000 2.130 187 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.216 187 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.216 187 G C 0.553 175.248 174.900 -0.342 0.000 0.999 187 G CA 0.840 45.790 45.100 -0.250 0.000 0.686 187 G HN 1.120 nan 8.290 nan 0.000 0.515 188 T N -3.580 110.823 114.554 -0.252 0.000 3.014 188 T HA 0.293 4.643 4.350 -0.001 0.000 0.250 188 T C 1.328 176.044 174.700 0.026 0.000 1.060 188 T CA 0.953 62.998 62.100 -0.091 0.000 1.040 188 T CB -0.029 68.832 68.868 -0.012 0.000 0.971 188 T HN 1.238 nan 8.240 nan 0.000 0.497 189 Y N 0.120 120.424 120.300 0.007 0.000 4.668 189 Y HA -0.302 4.248 4.550 -0.000 0.000 0.234 189 Y C 1.892 177.812 175.900 0.033 0.000 1.056 189 Y CA -0.049 58.058 58.100 0.012 0.000 2.025 189 Y CB -2.213 36.249 38.460 0.003 0.000 1.613 189 Y HN 0.426 nan 8.280 nan 0.000 0.653 190 A N 0.504 123.394 122.820 0.116 0.000 1.933 190 A HA -0.199 4.120 4.320 -0.001 0.000 0.218 190 A C 1.906 179.552 177.584 0.103 0.000 1.175 190 A CA 2.061 54.154 52.037 0.094 0.000 0.628 190 A CB -0.302 18.727 19.000 0.048 0.000 0.814 190 A HN 0.606 nan 8.150 nan 0.000 0.444 191 N N -1.639 117.120 118.700 0.099 0.000 2.184 191 N HA 0.270 5.010 4.740 -0.001 0.000 0.206 191 N C -0.445 175.210 175.510 0.241 0.000 1.151 191 N CA 0.195 53.304 53.050 0.098 0.000 0.878 191 N CB 1.332 39.826 38.487 0.012 0.000 1.014 191 N HN 0.536 nan 8.380 nan 0.000 0.512 192 I N 0.594 121.330 120.570 0.277 0.000 2.611 192 I HA 0.105 4.274 4.170 -0.001 0.000 0.287 192 I C -1.268 174.928 176.117 0.133 0.000 1.184 192 I CA -0.594 60.884 61.300 0.298 0.000 1.054 192 I CB 2.006 40.116 38.000 0.184 0.000 1.257 192 I HN -0.216 nan 8.210 nan 0.000 0.435 193 D N 8.987 129.323 120.400 -0.107 0.000 2.458 193 D HA 0.081 4.720 4.640 -0.001 0.000 0.243 193 D C -1.748 174.468 176.300 -0.141 0.000 1.146 193 D CA -1.060 52.874 54.000 -0.110 0.000 0.877 193 D CB 1.920 42.621 40.800 -0.165 0.000 1.176 193 D HN 0.324 nan 8.370 nan 0.000 0.461 194 P HA -0.141 nan 4.420 nan 0.000 0.220 194 P C 1.223 178.418 177.300 -0.175 0.000 1.144 194 P CA 0.768 63.629 63.100 -0.399 0.000 0.800 194 P CB -0.094 31.237 31.700 -0.616 0.000 0.772 195 F N -0.045 119.764 119.950 -0.234 0.000 2.234 195 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 195 F C 1.870 177.570 175.800 -0.166 0.000 1.087 195 F CA 1.011 58.906 58.000 -0.175 0.000 1.340 195 F CB -0.537 38.362 39.000 -0.168 0.000 1.031 195 F HN -0.295 nan 8.300 nan 0.000 0.500 196 V N 0.837 120.536 119.914 -0.358 0.000 2.255 196 V HA -0.361 3.758 4.120 -0.001 0.000 0.247 196 V C 2.402 178.317 176.094 -0.298 0.000 1.051 196 V CA 2.381 64.413 62.300 -0.448 0.000 1.018 196 V CB -0.925 30.550 31.823 -0.579 0.000 0.641 196 V HN 0.474 nan 8.190 nan 0.000 0.445 197 E N 0.317 120.405 120.200 -0.186 0.000 2.049 197 E HA -0.306 4.043 4.350 -0.001 0.000 0.198 197 E C 2.290 178.805 176.600 -0.141 0.000 1.007 197 E CA 1.930 58.272 56.400 -0.098 0.000 0.809 197 E CB -0.127 29.591 29.700 0.030 0.000 0.749 197 E HN 0.588 nan 8.360 nan 0.000 0.450 198 K N -0.529 119.750 120.400 -0.201 0.000 2.032 198 K HA -0.219 4.100 4.320 -0.001 0.000 0.209 198 K C 2.228 178.672 176.600 -0.261 0.000 1.048 198 K CA 1.680 57.843 56.287 -0.208 0.000 0.927 198 K CB -0.457 31.919 32.500 -0.207 0.000 0.712 198 K HN 0.280 nan 8.250 nan 0.000 0.441 199 Y N 1.556 121.505 120.300 -0.585 0.000 2.145 199 Y HA -0.278 4.271 4.550 -0.001 0.000 0.286 199 Y C 2.090 177.819 175.900 -0.286 0.000 1.145 199 Y CA 1.298 59.088 58.100 -0.516 0.000 1.148 199 Y CB -0.161 37.840 38.460 -0.765 0.000 0.981 199 Y HN -0.229 nan 8.280 nan 0.000 0.507 200 V N -1.109 118.760 119.914 -0.075 0.000 2.307 200 V HA -0.359 3.761 4.120 -0.001 0.000 0.245 200 V C 2.552 178.559 176.094 -0.145 0.000 1.045 200 V CA 1.829 64.083 62.300 -0.077 0.000 1.024 200 V CB -1.025 30.775 31.823 -0.039 0.000 0.651 200 V HN 0.619 nan 8.190 nan 0.000 0.449 201 C N -0.302 118.920 119.300 -0.129 0.000 2.432 201 C HA -0.169 4.291 4.460 -0.001 0.000 0.277 201 C C 2.785 177.702 174.990 -0.121 0.000 1.249 201 C CA 1.366 60.320 59.018 -0.106 0.000 1.725 201 C CB -0.885 26.807 27.740 -0.080 0.000 2.028 201 C HN 0.693 nan 8.230 nan 0.000 0.477 202 E N 1.057 121.162 120.200 -0.160 0.000 2.085 202 E HA -0.239 4.111 4.350 -0.001 0.000 0.194 202 E C 1.550 178.040 176.600 -0.182 0.000 0.994 202 E CA 1.591 57.894 56.400 -0.162 0.000 0.801 202 E CB -0.230 29.353 29.700 -0.194 0.000 0.743 202 E HN 0.664 nan 8.360 nan 0.000 0.453 203 N N -0.262 118.280 118.700 -0.263 0.000 2.381 203 N HA -0.068 4.671 4.740 -0.001 0.000 0.182 203 N C 1.237 176.652 175.510 -0.157 0.000 1.025 203 N CA 0.669 53.574 53.050 -0.242 0.000 0.888 203 N CB 0.133 38.420 38.487 -0.333 0.000 0.965 203 N HN 0.188 nan 8.380 nan 0.000 0.438 204 L N -1.206 119.931 121.223 -0.144 0.000 2.607 204 L HA 0.295 4.635 4.340 -0.001 0.000 0.228 204 L C 0.915 177.816 176.870 0.051 0.000 1.123 204 L CA -0.124 54.653 54.840 -0.105 0.000 0.890 204 L CB 0.014 41.948 42.059 -0.207 0.000 1.103 204 L HN 0.164 nan 8.230 nan 0.000 0.468 205 G N 1.152 109.949 108.800 -0.005 0.000 2.176 205 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.252 205 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.252 205 G C -0.088 174.814 174.900 0.003 0.000 1.024 205 G CA 0.039 45.144 45.100 0.008 0.000 0.755 205 G HN 0.244 nan 8.290 nan 0.000 0.507 206 L N -0.312 120.903 121.223 -0.014 0.000 2.330 206 L HA 0.602 4.942 4.340 -0.001 0.000 0.271 206 L C 0.327 177.173 176.870 -0.041 0.000 1.013 206 L CA -1.356 53.471 54.840 -0.023 0.000 0.816 206 L CB 1.299 43.350 42.059 -0.013 0.000 1.287 206 L HN -0.035 nan 8.230 nan 0.000 0.435 207 E N 1.243 121.417 120.200 -0.042 0.000 2.374 207 E HA 0.370 4.720 4.350 -0.001 0.000 0.260 207 E C -0.345 176.233 176.600 -0.037 0.000 1.101 207 E CA -0.300 56.075 56.400 -0.040 0.000 0.907 207 E CB 1.423 31.100 29.700 -0.038 0.000 1.014 207 E HN 0.584 nan 8.360 nan 0.000 0.427 208 A N 1.342 124.143 122.820 -0.031 0.000 2.289 208 A HA 0.539 4.858 4.320 -0.001 0.000 0.298 208 A C 0.122 177.705 177.584 -0.003 0.000 1.208 208 A CA -0.271 51.755 52.037 -0.018 0.000 0.845 208 A CB 0.440 19.429 19.000 -0.017 0.000 1.125 208 A HN 0.579 nan 8.150 nan 0.000 0.517 209 A N 4.544 127.366 122.820 0.002 0.000 2.566 209 A HA 0.403 4.723 4.320 -0.001 0.000 0.245 209 A C -1.173 176.432 177.584 0.035 0.000 1.056 209 A CA -0.537 51.505 52.037 0.008 0.000 0.757 209 A CB -0.353 18.648 19.000 0.001 0.000 0.979 209 A HN 0.651 nan 8.150 nan 0.000 0.508 210 P HA 0.001 nan 4.420 nan 0.000 0.217 210 P C 0.343 177.685 177.300 0.070 0.000 1.150 210 P CA 1.005 64.131 63.100 0.042 0.000 0.832 210 P CB 0.218 31.932 31.700 0.023 0.000 0.787 211 I N -1.357 119.242 120.570 0.048 0.000 2.722 211 I HA 0.402 4.571 4.170 -0.001 0.000 0.295 211 I C -1.046 175.076 176.117 0.008 0.000 1.161 211 I CA -0.847 60.480 61.300 0.046 0.000 1.032 211 I CB 1.976 39.999 38.000 0.038 0.000 1.244 211 I HN -0.129 nan 8.210 nan 0.000 0.421 212 S N 3.188 118.871 115.700 -0.028 0.000 2.697 212 S HA 0.710 5.180 4.470 -0.001 0.000 0.289 212 S C -0.109 174.451 174.600 -0.067 0.000 1.149 212 S CA -0.034 58.136 58.200 -0.051 0.000 0.850 212 S CB 1.739 64.898 63.200 -0.068 0.000 1.151 212 S HN 0.751 nan 8.310 nan 0.000 0.491 213 T N -1.748 112.774 114.554 -0.053 0.000 2.983 213 T HA 0.342 4.691 4.350 -0.001 0.000 0.225 213 T C 1.103 175.767 174.700 -0.060 0.000 0.929 213 T CA -0.195 61.878 62.100 -0.045 0.000 1.413 213 T CB -0.531 68.332 68.868 -0.009 0.000 2.852 213 T HN 0.564 nan 8.240 nan 0.000 0.430 214 Q N 1.575 121.358 119.800 -0.028 0.000 2.331 214 Q HA 0.108 4.447 4.340 -0.001 0.000 0.203 214 Q C 0.542 176.528 176.000 -0.023 0.000 0.944 214 Q CA 0.955 56.744 55.803 -0.023 0.000 0.892 214 Q CB 0.082 28.826 28.738 0.010 0.000 0.983 214 Q HN 0.843 nan 8.270 nan 0.000 0.482 215 T N -3.216 111.322 114.554 -0.027 0.000 2.916 215 T HA 0.531 4.880 4.350 -0.001 0.000 0.292 215 T C -0.011 174.662 174.700 -0.045 0.000 1.064 215 T CA -0.865 61.210 62.100 -0.041 0.000 1.011 215 T CB 1.155 69.976 68.868 -0.079 0.000 1.152 215 T HN 0.039 nan 8.240 nan 0.000 0.510 216 L N 1.800 123.005 121.223 -0.030 0.000 2.467 216 L HA 0.269 4.608 4.340 -0.001 0.000 0.270 216 L C 0.819 177.680 176.870 -0.015 0.000 1.205 216 L CA -0.842 54.002 54.840 0.005 0.000 0.828 216 L CB 0.321 42.430 42.059 0.084 0.000 1.101 216 L HN 0.588 nan 8.230 nan 0.000 0.479 217 Q N 1.464 121.269 119.800 0.008 0.000 2.288 217 Q HA 0.116 4.456 4.340 -0.001 0.000 0.254 217 Q C 0.457 176.486 176.000 0.049 0.000 0.932 217 Q CA -0.246 55.553 55.803 -0.007 0.000 0.902 217 Q CB 1.040 29.774 28.738 -0.005 0.000 1.203 217 Q HN 0.318 nan 8.270 nan 0.000 0.415 218 R N 1.457 121.952 120.500 -0.010 0.000 2.310 218 R HA -0.045 4.295 4.340 -0.001 0.000 0.202 218 R C 1.100 177.431 176.300 0.052 0.000 0.933 218 R CA 0.425 56.550 56.100 0.041 0.000 1.054 218 R CB 0.072 30.289 30.300 -0.137 0.000 0.985 218 R HN 0.703 nan 8.270 nan 0.000 0.489 219 D N 0.165 120.566 120.400 0.002 0.000 2.190 219 D HA -0.256 4.383 4.640 -0.001 0.000 0.200 219 D C 1.178 177.481 176.300 0.005 0.000 0.992 219 D CA 1.116 55.092 54.000 -0.040 0.000 0.854 219 D CB -0.072 40.706 40.800 -0.036 0.000 0.936 219 D HN 0.206 nan 8.370 nan 0.000 0.462 220 R N -0.123 120.396 120.500 0.032 0.000 2.073 220 R HA -0.110 4.230 4.340 -0.001 0.000 0.234 220 R C 2.440 178.695 176.300 -0.075 0.000 1.134 220 R CA 1.656 57.725 56.100 -0.053 0.000 0.952 220 R CB -0.557 29.622 30.300 -0.203 0.000 0.850 220 R HN 0.417 nan 8.270 nan 0.000 0.433 221 H N -0.012 119.057 119.070 -0.000 0.000 2.462 221 H HA 0.101 4.656 4.556 -0.001 0.000 0.292 221 H C 1.912 177.296 175.328 0.094 0.000 1.049 221 H CA 1.088 57.175 56.048 0.066 0.000 1.334 221 H CB -0.154 29.626 29.762 0.031 0.000 1.404 221 H HN 0.297 nan 8.280 nan 0.000 0.544 222 A N 0.355 123.225 122.820 0.082 0.000 1.873 222 A HA -0.223 4.096 4.320 -0.001 0.000 0.215 222 A C 2.084 179.675 177.584 0.011 0.000 1.186 222 A CA 1.671 53.639 52.037 -0.114 0.000 0.616 222 A CB -0.987 17.653 19.000 -0.600 0.000 0.823 222 A HN 0.677 nan 8.150 nan 0.000 0.442 223 H N -2.554 116.468 119.070 -0.080 0.000 2.289 223 H HA -0.296 4.260 4.556 -0.001 0.000 0.294 223 H C 2.057 177.432 175.328 0.079 0.000 1.095 223 H CA 2.242 58.298 56.048 0.015 0.000 1.256 223 H CB -0.301 29.456 29.762 -0.008 0.000 1.359 223 H HN 0.575 nan 8.280 nan 0.000 0.487 224 Y N 0.713 120.976 120.300 -0.063 0.000 2.097 224 Y HA -0.297 4.252 4.550 -0.001 0.000 0.282 224 Y C 2.683 178.604 175.900 0.035 0.000 1.152 224 Y CA 2.086 60.109 58.100 -0.127 0.000 1.136 224 Y CB -0.483 37.883 38.460 -0.156 0.000 0.975 224 Y HN 0.296 nan 8.280 nan 0.000 0.498 225 M N 0.235 119.839 119.600 0.006 0.000 2.229 225 M HA -0.131 4.349 4.480 -0.001 0.000 0.264 225 M C 2.409 178.733 176.300 0.039 0.000 1.063 225 M CA 1.996 57.275 55.300 -0.035 0.000 1.114 225 M CB -0.685 31.994 32.600 0.131 0.000 1.387 225 M HN 0.413 nan 8.290 nan 0.000 0.420 226 S N -1.926 113.875 115.700 0.168 0.000 2.399 226 S HA -0.130 4.340 4.470 -0.001 0.000 0.231 226 S C 1.828 176.485 174.600 0.094 0.000 1.022 226 S CA 1.721 60.034 58.200 0.189 0.000 0.983 226 S CB -1.180 62.220 63.200 0.334 0.000 0.803 226 S HN 0.554 nan 8.310 nan 0.000 0.480 227 T N 3.079 117.673 114.554 0.068 0.000 2.812 227 T HA 0.201 4.550 4.350 -0.001 0.000 0.264 227 T C 1.750 176.459 174.700 0.014 0.000 1.042 227 T CA 1.196 63.329 62.100 0.055 0.000 1.140 227 T CB -0.480 68.420 68.868 0.053 0.000 0.870 227 T HN 0.308 nan 8.240 nan 0.000 0.445 228 L N 1.018 122.189 121.223 -0.087 0.000 2.013 228 L HA -0.159 4.181 4.340 -0.001 0.000 0.212 228 L C 3.083 179.929 176.870 -0.039 0.000 1.073 228 L CA 1.536 56.329 54.840 -0.077 0.000 0.753 228 L CB -0.815 41.144 42.059 -0.166 0.000 0.890 228 L HN 0.258 nan 8.230 nan 0.000 0.432 229 A N -0.245 122.560 122.820 -0.025 0.000 1.930 229 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 229 A C 2.201 179.762 177.584 -0.039 0.000 1.175 229 A CA 1.351 53.370 52.037 -0.029 0.000 0.627 229 A CB -0.555 18.436 19.000 -0.014 0.000 0.815 229 A HN 0.309 nan 8.150 nan 0.000 0.443 230 L N 0.091 121.305 121.223 -0.015 0.000 2.046 230 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 230 L C 2.214 179.066 176.870 -0.030 0.000 1.077 230 L CA 1.645 56.475 54.840 -0.015 0.000 0.747 230 L CB -0.526 41.542 42.059 0.015 0.000 0.896 230 L HN 0.442 nan 8.230 nan 0.000 0.432 231 I N -0.521 120.036 120.570 -0.022 0.000 2.163 231 I HA -0.330 3.840 4.170 -0.001 0.000 0.243 231 I C 2.602 178.665 176.117 -0.089 0.000 1.085 231 I CA 1.321 62.597 61.300 -0.040 0.000 1.347 231 I CB -0.731 37.246 38.000 -0.038 0.000 1.044 231 I HN 0.331 nan 8.210 nan 0.000 0.408 232 A N 0.296 123.056 122.820 -0.100 0.000 1.908 232 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 232 A C 2.381 179.865 177.584 -0.167 0.000 1.181 232 A CA 2.631 54.582 52.037 -0.143 0.000 0.627 232 A CB -1.149 17.780 19.000 -0.119 0.000 0.818 232 A HN 0.434 nan 8.150 nan 0.000 0.445 233 T N -0.396 114.081 114.554 -0.129 0.000 2.857 233 T HA -0.056 4.293 4.350 -0.001 0.000 0.266 233 T C 2.220 176.832 174.700 -0.147 0.000 1.048 233 T CA 1.359 63.380 62.100 -0.132 0.000 1.139 233 T CB -0.234 68.577 68.868 -0.095 0.000 0.874 233 T HN 0.461 nan 8.240 nan 0.000 0.455 234 S N 1.278 116.902 115.700 -0.126 0.000 2.370 234 S HA -0.020 4.449 4.470 -0.001 0.000 0.226 234 S C 2.010 176.470 174.600 -0.233 0.000 1.033 234 S CA 0.943 59.062 58.200 -0.135 0.000 1.011 234 S CB -0.406 62.753 63.200 -0.070 0.000 0.852 234 S HN 0.433 nan 8.310 nan 0.000 0.457 235 I N 1.240 121.649 120.570 -0.268 0.000 2.252 235 I HA -0.185 3.984 4.170 -0.001 0.000 0.245 235 I C 2.666 178.422 176.117 -0.602 0.000 1.102 235 I CA 1.232 62.246 61.300 -0.476 0.000 1.385 235 I CB -0.369 37.334 38.000 -0.494 0.000 1.064 235 I HN 0.389 nan 8.210 nan 0.000 0.414 236 E N 1.763 121.721 120.200 -0.403 0.000 2.058 236 E HA -0.333 4.016 4.350 -0.001 0.000 0.194 236 E C 2.235 178.656 176.600 -0.298 0.000 0.997 236 E CA 1.792 57.990 56.400 -0.337 0.000 0.801 236 E CB -0.061 29.505 29.700 -0.224 0.000 0.746 236 E HN 0.339 nan 8.360 nan 0.000 0.450 237 K N 0.031 120.278 120.400 -0.254 0.000 2.074 237 K HA -0.211 4.109 4.320 -0.001 0.000 0.209 237 K C 2.166 178.618 176.600 -0.247 0.000 1.048 237 K CA 2.119 58.293 56.287 -0.189 0.000 0.926 237 K CB -0.122 32.292 32.500 -0.143 0.000 0.713 237 K HN 0.206 nan 8.250 nan 0.000 0.444 238 M N 0.052 119.346 119.600 -0.512 0.000 2.200 238 M HA -0.061 4.419 4.480 -0.001 0.000 0.265 238 M C 2.391 178.526 176.300 -0.276 0.000 1.066 238 M CA 1.438 56.244 55.300 -0.823 0.000 1.127 238 M CB -0.198 31.652 32.600 -1.250 0.000 1.379 238 M HN 0.293 nan 8.290 nan 0.000 0.420 239 A N 0.068 122.650 122.820 -0.396 0.000 1.902 239 A HA -0.093 4.227 4.320 -0.001 0.000 0.217 239 A C 2.264 179.834 177.584 -0.023 0.000 1.181 239 A CA 1.554 53.469 52.037 -0.204 0.000 0.623 239 A CB -0.974 17.754 19.000 -0.452 0.000 0.818 239 A HN 0.286 nan 8.150 nan 0.000 0.443 240 V N -0.037 119.841 119.914 -0.061 0.000 2.407 240 V HA -0.234 3.886 4.120 -0.001 0.000 0.248 240 V C 2.575 178.721 176.094 0.088 0.000 1.055 240 V CA 2.388 64.691 62.300 0.006 0.000 1.049 240 V CB -0.661 31.150 31.823 -0.020 0.000 0.662 240 V HN 0.711 nan 8.190 nan 0.000 0.455 241 E N 0.608 120.900 120.200 0.153 0.000 2.051 241 E HA -0.203 4.147 4.350 -0.001 0.000 0.192 241 E C 1.989 178.766 176.600 0.296 0.000 0.991 241 E CA 1.693 58.262 56.400 0.281 0.000 0.799 241 E CB -0.364 29.659 29.700 0.538 0.000 0.748 241 E HN 0.582 nan 8.360 nan 0.000 0.449 242 I N 0.132 120.903 120.570 0.335 0.000 2.208 242 I HA -0.319 3.851 4.170 -0.001 0.000 0.245 242 I C 2.498 178.725 176.117 0.184 0.000 1.097 242 I CA 1.419 62.896 61.300 0.294 0.000 1.363 242 I CB -0.273 37.925 38.000 0.331 0.000 1.051 242 I HN 0.092 nan 8.210 nan 0.000 0.413 243 R N 0.558 121.146 120.500 0.147 0.000 2.081 243 R HA -0.118 4.221 4.340 -0.001 0.000 0.235 243 R C 2.446 178.799 176.300 0.088 0.000 1.131 243 R CA 1.486 57.646 56.100 0.100 0.000 0.960 243 R CB -0.774 29.567 30.300 0.068 0.000 0.856 243 R HN 0.463 nan 8.270 nan 0.000 0.436 244 G N 1.046 109.905 108.800 0.097 0.000 2.421 244 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.216 244 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.216 244 G C 1.384 176.332 174.900 0.080 0.000 1.171 244 G CA 0.535 45.686 45.100 0.084 0.000 0.775 244 G HN 0.143 nan 8.290 nan 0.000 0.543 245 L N 0.012 121.294 121.223 0.098 0.000 2.275 245 L HA -0.000 4.339 4.340 -0.001 0.000 0.215 245 L C 2.759 179.661 176.870 0.054 0.000 1.119 245 L CA 0.989 55.869 54.840 0.066 0.000 0.790 245 L CB -0.200 41.894 42.059 0.058 0.000 0.919 245 L HN 0.314 nan 8.230 nan 0.000 0.443 246 Q N 0.687 120.530 119.800 0.072 0.000 2.451 246 Q HA -0.005 4.334 4.340 -0.001 0.000 0.206 246 Q C 0.305 176.333 176.000 0.047 0.000 0.947 246 Q CA 0.087 55.931 55.803 0.069 0.000 0.937 246 Q CB 0.378 29.169 28.738 0.088 0.000 1.025 246 Q HN 0.329 nan 8.270 nan 0.000 0.511 247 K N 0.145 120.571 120.400 0.042 0.000 2.469 247 K HA 0.012 4.332 4.320 -0.001 0.000 0.274 247 K C 0.933 177.541 176.600 0.014 0.000 0.983 247 K CA 0.051 56.356 56.287 0.030 0.000 0.974 247 K CB 0.869 33.387 32.500 0.030 0.000 0.913 247 K HN 0.034 nan 8.250 nan 0.000 0.493 248 S N 2.268 117.974 115.700 0.009 0.000 2.399 248 S HA -0.141 4.329 4.470 -0.001 0.000 0.231 248 S C 1.285 175.874 174.600 -0.019 0.000 1.022 248 S CA 1.317 59.513 58.200 -0.007 0.000 0.983 248 S CB -0.116 63.086 63.200 0.003 0.000 0.803 248 S HN 0.533 nan 8.310 nan 0.000 0.480 249 E N 0.265 120.460 120.200 -0.008 0.000 2.347 249 E HA -0.048 4.302 4.350 -0.001 0.000 0.196 249 E C 2.151 178.744 176.600 -0.010 0.000 1.008 249 E CA 1.260 57.654 56.400 -0.011 0.000 0.852 249 E CB -0.046 29.652 29.700 -0.004 0.000 0.783 249 E HN 0.634 nan 8.360 nan 0.000 0.505 250 T N -2.453 112.096 114.554 -0.007 0.000 3.125 250 T HA 0.057 4.406 4.350 -0.001 0.000 0.252 250 T C 0.740 175.426 174.700 -0.023 0.000 0.981 250 T CA 0.159 62.258 62.100 -0.001 0.000 1.069 250 T CB -0.063 68.819 68.868 0.023 0.000 1.091 250 T HN 0.005 nan 8.240 nan 0.000 0.460 251 R N 1.541 122.028 120.500 -0.021 0.000 3.092 251 R HA -0.160 4.179 4.340 -0.001 0.000 0.245 251 R C 0.134 176.433 176.300 -0.001 0.000 0.881 251 R CA 0.912 56.989 56.100 -0.039 0.000 0.614 251 R CB -1.352 28.863 30.300 -0.143 0.000 1.128 251 R HN 0.702 nan 8.270 nan 0.000 0.483 252 E N -0.717 119.498 120.200 0.026 0.000 2.452 252 E HA 0.104 4.454 4.350 -0.001 0.000 0.197 252 E C -0.042 176.551 176.600 -0.012 0.000 1.022 252 E CA 0.397 56.796 56.400 -0.002 0.000 0.890 252 E CB 0.771 30.412 29.700 -0.098 0.000 0.918 252 E HN 0.162 nan 8.360 nan 0.000 0.496 253 V N 0.782 120.735 119.914 0.066 0.000 3.120 253 V HA 0.275 4.394 4.120 -0.001 0.000 0.303 253 V C -1.531 174.648 176.094 0.141 0.000 1.238 253 V CA -0.713 61.582 62.300 -0.009 0.000 1.008 253 V CB 2.576 34.323 31.823 -0.127 0.000 1.064 253 V HN -0.032 nan 8.190 nan 0.000 0.434 254 E N 1.791 122.058 120.200 0.113 0.000 2.308 254 E HA 0.382 4.731 4.350 -0.001 0.000 0.275 254 E C -1.253 175.405 176.600 0.096 0.000 0.890 254 E CA -0.733 55.757 56.400 0.150 0.000 0.754 254 E CB 2.608 32.458 29.700 0.250 0.000 1.207 254 E HN 0.700 nan 8.360 nan 0.000 0.426 255 E N 0.950 121.219 120.200 0.115 0.000 2.415 255 E HA 0.163 4.512 4.350 -0.001 0.000 0.262 255 E C -0.332 176.344 176.600 0.127 0.000 1.038 255 E CA -0.149 56.313 56.400 0.104 0.000 0.921 255 E CB 0.667 30.435 29.700 0.114 0.000 0.950 255 E HN 0.460 nan 8.360 nan 0.000 0.438 256 A N 3.158 126.033 122.820 0.092 0.000 2.520 256 A HA 0.099 4.419 4.320 -0.001 0.000 0.245 256 A C -0.736 176.942 177.584 0.157 0.000 1.072 256 A CA 0.287 52.387 52.037 0.104 0.000 0.761 256 A CB -0.135 18.896 19.000 0.052 0.000 1.004 256 A HN 0.521 nan 8.150 nan 0.000 0.499 257 F N 2.647 122.615 119.950 0.030 0.000 2.477 257 F HA 0.586 5.113 4.527 -0.001 0.000 0.335 257 F C 0.352 176.168 175.800 0.027 0.000 1.130 257 F CA -0.354 57.666 58.000 0.032 0.000 0.948 257 F CB 1.247 40.271 39.000 0.040 0.000 1.154 257 F HN 0.778 nan 8.300 nan 0.000 0.439 258 A N 5.110 127.759 122.820 -0.285 0.000 2.279 258 A HA 0.458 4.778 4.320 -0.001 0.000 0.303 258 A C -0.508 177.012 177.584 -0.106 0.000 1.108 258 A CA -0.829 51.126 52.037 -0.137 0.000 0.830 258 A CB 0.579 19.488 19.000 -0.150 0.000 1.106 258 A HN 0.768 nan 8.150 nan 0.000 0.493 259 K N 0.266 120.659 120.400 -0.012 0.000 2.472 259 K HA 0.364 4.684 4.320 -0.001 0.000 0.280 259 K C 1.206 177.792 176.600 -0.024 0.000 1.028 259 K CA 1.725 58.024 56.287 0.020 0.000 1.045 259 K CB -0.132 32.383 32.500 0.025 0.000 0.902 259 K HN 1.631 nan 8.250 nan 0.000 0.478 260 G N 2.403 111.202 108.800 -0.000 0.000 2.225 260 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.254 260 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.254 260 G C 0.071 174.929 174.900 -0.071 0.000 0.988 260 G CA 0.413 45.502 45.100 -0.018 0.000 0.625 260 G HN 0.684 nan 8.290 nan 0.000 0.527 261 Q N 0.567 120.246 119.800 -0.202 0.000 2.364 261 Q HA 0.544 4.884 4.340 -0.001 0.000 0.267 261 Q C -0.258 175.636 176.000 -0.177 0.000 0.999 261 Q CA 0.352 55.928 55.803 -0.378 0.000 0.886 261 Q CB 0.299 28.468 28.738 -0.948 0.000 1.243 261 Q HN 0.289 nan 8.270 nan 0.000 0.415 262 K N 1.839 122.198 120.400 -0.067 0.000 2.345 262 K HA 0.379 4.699 4.320 -0.001 0.000 0.255 262 K C 0.322 177.008 176.600 0.143 0.000 0.934 262 K CA -0.105 56.251 56.287 0.115 0.000 0.801 262 K CB 1.821 34.359 32.500 0.064 0.000 1.137 262 K HN 0.759 nan 8.250 nan 0.000 0.424 263 G N 0.461 109.417 108.800 0.261 0.000 2.603 263 G HA2 0.016 3.976 3.960 -0.001 0.000 0.214 263 G HA3 0.016 3.976 3.960 -0.001 0.000 0.214 263 G C 0.006 174.955 174.900 0.081 0.000 1.140 263 G CA 0.531 45.770 45.100 0.231 0.000 0.800 263 G HN 0.592 nan 8.290 nan 0.000 0.533 264 S N -1.639 114.088 115.700 0.044 0.000 2.587 264 S HA 0.417 4.887 4.470 -0.001 0.000 0.269 264 S C 0.847 175.455 174.600 0.013 0.000 1.154 264 S CA 0.571 58.776 58.200 0.010 0.000 0.824 264 S CB 1.121 64.301 63.200 -0.034 0.000 1.118 264 S HN 0.427 nan 8.310 nan 0.000 0.462 265 S N 0.633 116.340 115.700 0.010 0.000 2.436 265 S HA 0.221 4.691 4.470 -0.001 0.000 0.228 265 S C 1.507 176.116 174.600 0.014 0.000 1.014 265 S CA 0.685 58.893 58.200 0.013 0.000 0.950 265 S CB -0.505 62.702 63.200 0.011 0.000 0.784 265 S HN 1.471 nan 8.310 nan 0.000 0.504 266 A N 0.298 123.124 122.820 0.010 0.000 2.259 266 A HA 0.606 4.926 4.320 -0.001 0.000 0.213 266 A C 0.861 178.460 177.584 0.025 0.000 1.209 266 A CA -0.226 51.822 52.037 0.018 0.000 0.910 266 A CB 0.096 19.107 19.000 0.018 0.000 0.946 266 A HN 0.504 nan 8.150 nan 0.000 0.497 267 M N 0.519 120.118 119.600 -0.002 0.000 1.987 267 M HA 0.279 4.758 4.480 -0.001 0.000 0.298 267 M C -2.313 173.945 176.300 -0.069 0.000 0.892 267 M CA -1.637 53.656 55.300 -0.011 0.000 0.885 267 M CB 2.028 34.563 32.600 -0.108 0.000 1.469 267 M HN -0.087 nan 8.290 nan 0.000 0.389 268 P HA -0.199 nan 4.420 nan 0.000 0.221 268 P C 1.094 178.400 177.300 0.010 0.000 1.145 268 P CA 1.272 64.391 63.100 0.032 0.000 0.795 268 P CB -0.260 31.477 31.700 0.062 0.000 0.775 269 H N -1.858 117.201 119.070 -0.018 0.000 2.546 269 H HA 0.104 4.659 4.556 -0.001 0.000 0.277 269 H C 0.303 175.582 175.328 -0.083 0.000 1.004 269 H CA 0.463 56.478 56.048 -0.055 0.000 1.231 269 H CB -0.279 29.455 29.762 -0.046 0.000 1.382 269 H HN -0.035 nan 8.280 nan 0.000 0.580 270 K N 2.197 122.311 120.400 -0.476 0.000 2.350 270 K HA 0.222 4.542 4.320 -0.001 0.000 0.279 270 K C 0.143 176.630 176.600 -0.189 0.000 1.027 270 K CA -0.028 56.055 56.287 -0.339 0.000 0.969 270 K CB 1.123 33.457 32.500 -0.277 0.000 0.954 270 K HN 0.436 nan 8.250 nan 0.000 0.474 271 R N 2.906 123.317 120.500 -0.148 0.000 2.502 271 R HA 0.340 4.680 4.340 -0.001 0.000 0.298 271 R C -0.563 175.763 176.300 0.043 0.000 1.018 271 R CA -0.746 55.305 56.100 -0.082 0.000 0.899 271 R CB 1.374 31.525 30.300 -0.248 0.000 1.181 271 R HN 0.531 nan 8.270 nan 0.000 0.444 272 N N 3.103 121.879 118.700 0.125 0.000 2.319 272 N HA 0.329 5.068 4.740 -0.001 0.000 0.305 272 N C -2.425 173.153 175.510 0.115 0.000 1.103 272 N CA -1.866 51.241 53.050 0.094 0.000 0.815 272 N CB 2.137 40.670 38.487 0.078 0.000 1.288 272 N HN 0.280 nan 8.380 nan 0.000 0.493 273 P HA 0.156 nan 4.420 nan 0.000 0.226 273 P C 0.888 178.245 177.300 0.095 0.000 1.783 273 P CA -0.124 63.039 63.100 0.105 0.000 0.980 273 P CB -0.584 31.178 31.700 0.103 0.000 1.967 274 I N -1.539 119.088 120.570 0.094 0.000 2.353 274 I HA -0.008 4.161 4.170 -0.001 0.000 0.248 274 I C 2.254 178.420 176.117 0.082 0.000 1.119 274 I CA 1.289 62.636 61.300 0.080 0.000 1.417 274 I CB -1.370 36.677 38.000 0.077 0.000 1.078 274 I HN 0.006 nan 8.210 nan 0.000 0.421 275 G N 0.982 109.839 108.800 0.095 0.000 2.421 275 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.216 275 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.216 275 G C 1.703 176.672 174.900 0.114 0.000 1.171 275 G CA 1.033 46.196 45.100 0.104 0.000 0.775 275 G HN 0.445 nan 8.290 nan 0.000 0.543 276 S N 0.525 116.314 115.700 0.149 0.000 2.370 276 S HA -0.099 4.370 4.470 -0.001 0.000 0.226 276 S C 2.160 176.758 174.600 -0.003 0.000 1.033 276 S CA 1.488 59.760 58.200 0.119 0.000 1.011 276 S CB -0.230 63.076 63.200 0.176 0.000 0.852 276 S HN 0.585 nan 8.310 nan 0.000 0.457 277 E N 1.270 121.482 120.200 0.020 0.000 2.077 277 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 277 E C 2.153 178.733 176.600 -0.033 0.000 0.989 277 E CA 0.736 57.132 56.400 -0.007 0.000 0.800 277 E CB -0.199 29.512 29.700 0.017 0.000 0.746 277 E HN 0.403 nan 8.360 nan 0.000 0.452 278 N N 0.772 119.465 118.700 -0.012 0.000 2.069 278 N HA -0.186 4.554 4.740 -0.001 0.000 0.191 278 N C 1.788 177.230 175.510 -0.113 0.000 1.031 278 N CA 1.316 54.343 53.050 -0.039 0.000 0.852 278 N CB 0.031 38.540 38.487 0.038 0.000 1.018 278 N HN 0.100 nan 8.380 nan 0.000 0.423 279 M N 0.726 120.253 119.600 -0.123 0.000 2.149 279 M HA -0.095 4.384 4.480 -0.001 0.000 0.261 279 M C 2.056 178.219 176.300 -0.229 0.000 1.064 279 M CA 1.201 56.370 55.300 -0.217 0.000 1.102 279 M CB -1.718 30.659 32.600 -0.373 0.000 1.369 279 M HN 0.133 nan 8.290 nan 0.000 0.408 280 T N 0.602 115.040 114.554 -0.193 0.000 2.684 280 T HA -0.097 4.253 4.350 -0.001 0.000 0.267 280 T C 1.922 176.530 174.700 -0.152 0.000 1.036 280 T CA 1.761 63.760 62.100 -0.168 0.000 1.148 280 T CB -0.816 67.980 68.868 -0.121 0.000 0.863 280 T HN 0.608 nan 8.240 nan 0.000 0.436 281 G N 1.292 110.008 108.800 -0.139 0.000 2.418 281 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.217 281 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.217 281 G C 1.498 176.290 174.900 -0.179 0.000 1.158 281 G CA 0.460 45.476 45.100 -0.140 0.000 0.771 281 G HN 0.444 nan 8.290 nan 0.000 0.545 282 L N 0.570 121.664 121.223 -0.216 0.000 2.141 282 L HA -0.007 4.332 4.340 -0.001 0.000 0.209 282 L C 3.392 180.143 176.870 -0.199 0.000 1.094 282 L CA 0.779 55.483 54.840 -0.227 0.000 0.763 282 L CB -0.391 41.522 42.059 -0.243 0.000 0.908 282 L HN 0.314 nan 8.230 nan 0.000 0.437 283 A N 0.470 123.176 122.820 -0.190 0.000 1.902 283 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 283 A C 2.369 179.848 177.584 -0.175 0.000 1.181 283 A CA 1.548 53.479 52.037 -0.177 0.000 0.623 283 A CB -0.456 18.433 19.000 -0.184 0.000 0.818 283 A HN 0.321 nan 8.150 nan 0.000 0.443 284 R N -0.673 119.724 120.500 -0.172 0.000 2.083 284 R HA -0.123 4.217 4.340 -0.001 0.000 0.237 284 R C 2.026 178.191 176.300 -0.225 0.000 1.137 284 R CA 1.604 57.603 56.100 -0.168 0.000 0.951 284 R CB -0.730 29.485 30.300 -0.141 0.000 0.851 284 R HN 0.394 nan 8.270 nan 0.000 0.434 285 V N 1.397 121.145 119.914 -0.277 0.000 2.287 285 V HA -0.252 3.867 4.120 -0.001 0.000 0.248 285 V C 2.234 177.915 176.094 -0.688 0.000 1.053 285 V CA 1.865 63.895 62.300 -0.450 0.000 1.027 285 V CB -0.434 31.150 31.823 -0.399 0.000 0.646 285 V HN 0.300 nan 8.190 nan 0.000 0.447 286 I N -0.706 119.606 120.570 -0.429 0.000 2.394 286 I HA -0.188 3.981 4.170 -0.001 0.000 0.251 286 I C 2.729 178.748 176.117 -0.163 0.000 1.136 286 I CA 1.290 62.431 61.300 -0.265 0.000 1.425 286 I CB -0.444 37.510 38.000 -0.077 0.000 1.079 286 I HN 0.207 nan 8.210 nan 0.000 0.425 287 R N 0.768 121.165 120.500 -0.171 0.000 2.096 287 R HA -0.099 4.241 4.340 -0.001 0.000 0.235 287 R C 2.445 178.680 176.300 -0.107 0.000 1.127 287 R CA 1.382 57.413 56.100 -0.114 0.000 0.968 287 R CB -0.624 29.606 30.300 -0.116 0.000 0.861 287 R HN 0.446 nan 8.270 nan 0.000 0.440 288 G N 0.073 108.765 108.800 -0.180 0.000 2.440 288 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.218 288 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.218 288 G C 1.190 176.089 174.900 -0.002 0.000 1.154 288 G CA 0.620 45.641 45.100 -0.133 0.000 0.767 288 G HN 0.384 nan 8.290 nan 0.000 0.552 289 Y N -0.246 120.042 120.300 -0.020 0.000 2.274 289 Y HA -0.084 4.465 4.550 -0.001 0.000 0.290 289 Y C 2.882 178.802 175.900 0.034 0.000 1.145 289 Y CA 0.896 58.994 58.100 -0.003 0.000 1.203 289 Y CB -0.165 38.284 38.460 -0.018 0.000 0.984 289 Y HN 0.206 nan 8.280 nan 0.000 0.533 290 M N -0.320 119.387 119.600 0.178 0.000 2.132 290 M HA -0.243 4.237 4.480 -0.001 0.000 0.263 290 M C 2.223 178.632 176.300 0.182 0.000 1.065 290 M CA 1.637 57.040 55.300 0.173 0.000 1.122 290 M CB -0.083 32.568 32.600 0.085 0.000 1.365 290 M HN 0.362 nan 8.290 nan 0.000 0.411 291 M N 0.518 120.163 119.600 0.074 0.000 2.108 291 M HA -0.147 4.333 4.480 -0.001 0.000 0.261 291 M C 1.845 178.225 176.300 0.134 0.000 1.066 291 M CA 2.170 57.503 55.300 0.055 0.000 1.107 291 M CB -0.838 31.763 32.600 0.002 0.000 1.356 291 M HN 0.289 nan 8.290 nan 0.000 0.406 292 T N 0.397 115.031 114.554 0.134 0.000 2.746 292 T HA -0.094 4.255 4.350 -0.001 0.000 0.267 292 T C 1.805 176.587 174.700 0.138 0.000 1.039 292 T CA 1.647 63.820 62.100 0.122 0.000 1.142 292 T CB -0.703 68.238 68.868 0.121 0.000 0.866 292 T HN 0.545 nan 8.240 nan 0.000 0.444 293 A N 0.257 123.186 122.820 0.182 0.000 1.933 293 A HA -0.060 4.260 4.320 -0.001 0.000 0.218 293 A C 2.042 179.714 177.584 0.147 0.000 1.175 293 A CA 1.251 53.386 52.037 0.163 0.000 0.628 293 A CB -0.951 18.164 19.000 0.193 0.000 0.814 293 A HN 0.528 nan 8.150 nan 0.000 0.444 294 Y N 0.265 120.600 120.300 0.059 0.000 2.242 294 Y HA -0.129 4.420 4.550 -0.001 0.000 0.291 294 Y C 2.369 178.293 175.900 0.039 0.000 1.137 294 Y CA 1.701 59.830 58.100 0.049 0.000 1.181 294 Y CB -0.194 38.290 38.460 0.039 0.000 0.989 294 Y HN 0.439 nan 8.280 nan 0.000 0.527 295 E N -0.487 119.819 120.200 0.177 0.000 2.347 295 E HA -0.139 4.211 4.350 -0.001 0.000 0.196 295 E C 1.297 177.934 176.600 0.061 0.000 1.008 295 E CA 0.489 56.951 56.400 0.103 0.000 0.852 295 E CB -0.088 29.661 29.700 0.081 0.000 0.783 295 E HN 0.442 nan 8.360 nan 0.000 0.505 296 N N 0.182 118.915 118.700 0.054 0.000 2.515 296 N HA -0.056 4.683 4.740 -0.001 0.000 0.185 296 N C 1.582 177.088 175.510 -0.006 0.000 1.109 296 N CA 0.301 53.368 53.050 0.028 0.000 0.903 296 N CB 0.344 38.852 38.487 0.034 0.000 0.969 296 N HN 0.021 nan 8.380 nan 0.000 0.450 297 V N 1.523 121.432 119.914 -0.008 0.000 2.323 297 V HA -0.080 4.039 4.120 -0.001 0.000 0.244 297 V C -1.416 174.676 176.094 -0.003 0.000 1.041 297 V CA 1.164 63.446 62.300 -0.030 0.000 1.025 297 V CB -1.408 30.382 31.823 -0.055 0.000 0.656 297 V HN 0.179 nan 8.190 nan 0.000 0.451 298 P HA 0.199 nan 4.420 nan 0.000 0.231 298 P C -0.298 177.064 177.300 0.104 0.000 1.756 298 P CA 0.263 63.403 63.100 0.068 0.000 0.990 298 P CB -0.594 31.158 31.700 0.087 0.000 1.973 299 L N 0.169 121.430 121.223 0.063 0.000 2.452 299 L HA 0.235 4.575 4.340 -0.001 0.000 0.267 299 L C 0.566 177.564 176.870 0.213 0.000 1.188 299 L CA -0.587 54.292 54.840 0.066 0.000 0.821 299 L CB 0.265 42.334 42.059 0.016 0.000 1.102 299 L HN 0.145 nan 8.230 nan 0.000 0.470 300 W N 3.031 124.294 121.300 -0.062 0.000 2.287 300 W HA 0.275 4.934 4.660 -0.001 0.000 0.313 300 W C 0.962 177.431 176.519 -0.084 0.000 1.267 300 W CA -0.419 56.824 57.345 -0.170 0.000 1.201 300 W CB -0.468 28.919 29.460 -0.121 0.000 1.196 300 W HN 0.574 nan 8.180 nan 0.000 0.536 301 H N 1.188 120.374 119.070 0.193 0.000 1.452 301 H HA -0.297 4.258 4.556 -0.001 0.000 0.090 301 H C 0.938 176.316 175.328 0.083 0.000 0.910 301 H CA 1.891 58.001 56.048 0.102 0.000 1.901 301 H CB -1.044 28.773 29.762 0.093 0.000 2.257 301 H HN 0.319 nan 8.280 nan 0.000 0.961 302 E N 2.673 123.010 120.200 0.228 0.000 2.489 302 E HA 0.153 4.502 4.350 -0.001 0.000 0.193 302 E C 0.265 176.922 176.600 0.094 0.000 1.057 302 E CA 0.874 57.343 56.400 0.115 0.000 0.866 302 E CB 0.178 29.923 29.700 0.075 0.000 0.916 302 E HN 0.455 nan 8.360 nan 0.000 0.500 303 R N -1.270 119.311 120.500 0.135 0.000 4.787 303 R HA 0.095 4.434 4.340 -0.001 0.000 0.249 303 R C -2.140 174.238 176.300 0.130 0.000 0.937 303 R CA -0.406 55.759 56.100 0.108 0.000 1.104 303 R CB -0.847 29.500 30.300 0.079 0.000 1.316 303 R HN -0.007 nan 8.270 nan 0.000 0.620 304 D N 1.009 121.459 120.400 0.084 0.000 2.450 304 D HA 0.447 5.087 4.640 -0.001 0.000 0.238 304 D C -0.076 176.244 176.300 0.034 0.000 1.020 304 D CA -1.009 52.992 54.000 0.002 0.000 1.010 304 D CB 1.331 42.012 40.800 -0.199 0.000 1.342 304 D HN 0.560 nan 8.370 nan 0.000 0.530 305 I N 0.794 121.317 120.570 -0.079 0.000 3.875 305 I HA -0.034 4.136 4.170 -0.001 0.000 0.329 305 I C 1.475 177.392 176.117 -0.333 0.000 1.295 305 I CA 0.145 61.315 61.300 -0.216 0.000 1.129 305 I CB -0.089 37.804 38.000 -0.178 0.000 1.008 305 I HN 0.561 nan 8.210 nan 0.000 0.413 306 S N 0.784 116.357 115.700 -0.211 0.000 2.387 306 S HA -0.310 4.159 4.470 -0.001 0.000 0.230 306 S C 2.157 176.646 174.600 -0.184 0.000 1.035 306 S CA 1.745 59.831 58.200 -0.189 0.000 1.014 306 S CB -0.790 62.305 63.200 -0.174 0.000 0.836 306 S HN 0.706 nan 8.310 nan 0.000 0.466 307 H N 0.271 119.273 119.070 -0.114 0.000 2.457 307 H HA 0.100 4.656 4.556 -0.001 0.000 0.294 307 H C 2.160 177.428 175.328 -0.099 0.000 1.064 307 H CA 1.260 57.244 56.048 -0.106 0.000 1.330 307 H CB -0.845 28.840 29.762 -0.129 0.000 1.395 307 H HN 0.503 nan 8.280 nan 0.000 0.541 308 S N 1.077 116.327 115.700 -0.749 0.000 2.348 308 S HA -0.208 4.261 4.470 -0.001 0.000 0.221 308 S C 2.548 177.026 174.600 -0.203 0.000 1.033 308 S CA 2.043 59.981 58.200 -0.436 0.000 1.010 308 S CB -0.489 62.450 63.200 -0.435 0.000 0.891 308 S HN 0.769 nan 8.310 nan 0.000 0.442 309 S N 1.783 117.370 115.700 -0.188 0.000 2.368 309 S HA -0.016 4.453 4.470 -0.001 0.000 0.225 309 S C 2.102 176.639 174.600 -0.105 0.000 1.030 309 S CA 1.287 59.413 58.200 -0.124 0.000 0.999 309 S CB -1.010 62.124 63.200 -0.109 0.000 0.844 309 S HN 0.651 nan 8.310 nan 0.000 0.459 310 A N 1.940 124.702 122.820 -0.097 0.000 1.877 310 A HA -0.103 4.216 4.320 -0.001 0.000 0.216 310 A C 2.167 179.697 177.584 -0.091 0.000 1.186 310 A CA 1.627 53.621 52.037 -0.072 0.000 0.620 310 A CB -0.844 18.134 19.000 -0.037 0.000 0.822 310 A HN 0.681 nan 8.150 nan 0.000 0.443 311 E N -0.681 119.474 120.200 -0.076 0.000 2.150 311 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 311 E C 2.234 178.755 176.600 -0.130 0.000 0.985 311 E CA 0.775 57.130 56.400 -0.074 0.000 0.814 311 E CB -0.134 29.562 29.700 -0.006 0.000 0.752 311 E HN 0.517 nan 8.360 nan 0.000 0.466 312 R N 0.172 120.601 120.500 -0.120 0.000 2.152 312 R HA -0.113 4.227 4.340 -0.001 0.000 0.232 312 R C 2.170 178.345 176.300 -0.208 0.000 1.117 312 R CA 0.899 56.915 56.100 -0.140 0.000 0.981 312 R CB -0.029 30.212 30.300 -0.100 0.000 0.870 312 R HN 0.066 nan 8.270 nan 0.000 0.451 313 V N 1.329 121.118 119.914 -0.208 0.000 2.300 313 V HA -0.147 3.973 4.120 -0.001 0.000 0.241 313 V C 2.189 178.025 176.094 -0.431 0.000 1.034 313 V CA 1.712 63.858 62.300 -0.256 0.000 1.021 313 V CB -0.330 31.389 31.823 -0.174 0.000 0.662 313 V HN 0.349 nan 8.190 nan 0.000 0.458 314 I N -2.210 118.091 120.570 -0.448 0.000 2.617 314 I HA -0.076 4.093 4.170 -0.001 0.000 0.256 314 I C 2.273 178.070 176.117 -0.533 0.000 1.167 314 I CA 1.319 62.196 61.300 -0.707 0.000 1.469 314 I CB -0.318 37.404 38.000 -0.462 0.000 1.098 314 I HN 0.157 nan 8.210 nan 0.000 0.436 315 L N 1.746 122.735 121.223 -0.389 0.000 2.023 315 L HA 0.077 4.417 4.340 -0.001 0.000 0.205 315 L C -0.046 176.393 176.870 -0.717 0.000 1.073 315 L CA 2.031 56.671 54.840 -0.333 0.000 0.745 315 L CB -2.475 39.481 42.059 -0.172 0.000 0.900 315 L HN 0.187 nan 8.230 nan 0.000 0.435 316 P HA -0.135 nan 4.420 nan 0.000 0.215 316 P C 0.889 177.780 177.300 -0.681 0.000 1.157 316 P CA 1.410 63.577 63.100 -1.555 0.000 0.868 316 P CB 0.066 31.018 31.700 -1.246 0.000 0.788 317 D N -0.299 119.793 120.400 -0.513 0.000 2.117 317 D HA -0.079 4.561 4.640 -0.001 0.000 0.198 317 D C 2.122 178.352 176.300 -0.116 0.000 0.982 317 D CA 1.546 55.375 54.000 -0.285 0.000 0.828 317 D CB -0.830 39.781 40.800 -0.314 0.000 0.967 317 D HN 0.089 nan 8.370 nan 0.000 0.464 318 A N 0.494 123.200 122.820 -0.190 0.000 1.873 318 A HA -0.142 4.177 4.320 -0.001 0.000 0.215 318 A C 2.352 179.969 177.584 0.055 0.000 1.186 318 A CA 2.495 54.565 52.037 0.055 0.000 0.616 318 A CB -1.078 17.954 19.000 0.053 0.000 0.823 318 A HN 0.379 nan 8.150 nan 0.000 0.442 319 T N -1.431 113.153 114.554 0.049 0.000 2.821 319 T HA -0.061 4.289 4.350 -0.001 0.000 0.267 319 T C 1.844 176.634 174.700 0.150 0.000 1.046 319 T CA 1.441 63.642 62.100 0.168 0.000 1.139 319 T CB -0.559 68.532 68.868 0.373 0.000 0.871 319 T HN 0.315 nan 8.240 nan 0.000 0.454 320 I N 1.814 122.441 120.570 0.095 0.000 2.226 320 I HA -0.082 4.088 4.170 -0.001 0.000 0.245 320 I C 3.202 179.392 176.117 0.121 0.000 1.100 320 I CA 1.215 62.582 61.300 0.112 0.000 1.374 320 I CB -0.549 37.483 38.000 0.055 0.000 1.057 320 I HN 0.353 nan 8.210 nan 0.000 0.413 321 A N 0.385 123.262 122.820 0.095 0.000 1.930 321 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 321 A C 2.213 179.858 177.584 0.101 0.000 1.175 321 A CA 1.340 53.438 52.037 0.101 0.000 0.627 321 A CB -0.679 18.365 19.000 0.074 0.000 0.815 321 A HN 0.345 nan 8.150 nan 0.000 0.443 322 L N 0.537 121.796 121.223 0.060 0.000 2.027 322 L HA -0.135 4.205 4.340 -0.001 0.000 0.206 322 L C 2.131 179.000 176.870 -0.002 0.000 1.074 322 L CA 2.385 57.227 54.840 0.004 0.000 0.745 322 L CB -0.803 41.248 42.059 -0.012 0.000 0.898 322 L HN 0.570 nan 8.230 nan 0.000 0.433 323 N N -1.495 117.233 118.700 0.046 0.000 2.104 323 N HA -0.347 4.392 4.740 -0.001 0.000 0.190 323 N C 2.041 177.587 175.510 0.060 0.000 1.024 323 N CA 2.019 55.095 53.050 0.044 0.000 0.853 323 N CB -0.510 38.030 38.487 0.089 0.000 1.008 323 N HN 0.496 nan 8.380 nan 0.000 0.424 324 Y N 0.449 120.747 120.300 -0.003 0.000 2.181 324 Y HA -0.099 4.450 4.550 -0.001 0.000 0.288 324 Y C 2.185 178.060 175.900 -0.041 0.000 1.146 324 Y CA 1.824 59.925 58.100 0.002 0.000 1.164 324 Y CB -0.261 38.224 38.460 0.041 0.000 0.982 324 Y HN 0.141 nan 8.280 nan 0.000 0.515 325 M N -0.608 118.944 119.600 -0.080 0.000 2.086 325 M HA -0.216 4.263 4.480 -0.001 0.000 0.261 325 M C 2.194 178.325 176.300 -0.281 0.000 1.067 325 M CA 1.740 56.912 55.300 -0.214 0.000 1.116 325 M CB -0.469 32.037 32.600 -0.157 0.000 1.348 325 M HN 0.300 nan 8.290 nan 0.000 0.407 326 L N -0.022 121.053 121.223 -0.247 0.000 2.046 326 L HA -0.249 4.090 4.340 -0.001 0.000 0.208 326 L C 2.304 179.002 176.870 -0.287 0.000 1.077 326 L CA 1.065 55.711 54.840 -0.324 0.000 0.747 326 L CB -0.754 41.181 42.059 -0.208 0.000 0.896 326 L HN 0.407 nan 8.230 nan 0.000 0.432 327 N N -0.201 118.377 118.700 -0.204 0.000 2.106 327 N HA -0.194 4.545 4.740 -0.001 0.000 0.188 327 N C 1.969 177.353 175.510 -0.210 0.000 1.029 327 N CA 1.177 54.129 53.050 -0.163 0.000 0.848 327 N CB -0.144 38.277 38.487 -0.110 0.000 1.007 327 N HN 0.296 nan 8.380 nan 0.000 0.423 328 R N 0.032 120.327 120.500 -0.342 0.000 2.066 328 R HA -0.078 4.262 4.340 -0.001 0.000 0.232 328 R C 2.101 178.301 176.300 -0.168 0.000 1.131 328 R CA 1.043 56.949 56.100 -0.325 0.000 0.955 328 R CB -0.354 29.590 30.300 -0.594 0.000 0.851 328 R HN 0.085 nan 8.270 nan 0.000 0.432 329 F N 0.723 120.463 119.950 -0.350 0.000 2.259 329 F HA 0.106 4.633 4.527 -0.001 0.000 0.298 329 F C 1.990 177.662 175.800 -0.215 0.000 1.088 329 F CA 1.501 59.321 58.000 -0.300 0.000 1.358 329 F CB -0.623 38.129 39.000 -0.414 0.000 1.040 329 F HN 0.127 nan 8.300 nan 0.000 0.505 330 G N -0.148 108.489 108.800 -0.272 0.000 2.442 330 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.219 330 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.219 330 G C 1.510 176.386 174.900 -0.041 0.000 1.141 330 G CA 1.143 46.229 45.100 -0.023 0.000 0.763 330 G HN 0.445 nan 8.290 nan 0.000 0.554 331 N N 0.022 118.669 118.700 -0.088 0.000 2.188 331 N HA -0.009 4.730 4.740 -0.001 0.000 0.184 331 N C 2.158 177.613 175.510 -0.093 0.000 1.018 331 N CA 0.630 53.639 53.050 -0.068 0.000 0.858 331 N CB -0.124 38.325 38.487 -0.063 0.000 0.989 331 N HN 0.300 nan 8.380 nan 0.000 0.426 332 I N 0.454 120.925 120.570 -0.165 0.000 2.163 332 I HA -0.273 3.896 4.170 -0.001 0.000 0.243 332 I C 2.028 178.032 176.117 -0.189 0.000 1.085 332 I CA 1.012 62.204 61.300 -0.179 0.000 1.347 332 I CB -0.294 37.568 38.000 -0.230 0.000 1.044 332 I HN 0.009 nan 8.210 nan 0.000 0.408 333 V N 0.862 120.596 119.914 -0.299 0.000 2.261 333 V HA -0.328 3.792 4.120 -0.001 0.000 0.246 333 V C 2.522 178.612 176.094 -0.008 0.000 1.047 333 V CA 2.087 64.314 62.300 -0.123 0.000 1.015 333 V CB -0.747 31.046 31.823 -0.051 0.000 0.642 333 V HN 0.418 nan 8.190 nan 0.000 0.446 334 K N 0.322 120.720 120.400 -0.003 0.000 2.034 334 K HA -0.241 4.078 4.320 -0.001 0.000 0.214 334 K C 1.668 178.280 176.600 0.021 0.000 1.051 334 K CA 2.119 58.419 56.287 0.022 0.000 0.931 334 K CB -0.206 32.306 32.500 0.019 0.000 0.715 334 K HN 0.433 nan 8.250 nan 0.000 0.446 335 N N 0.909 119.610 118.700 0.003 0.000 2.322 335 N HA -0.014 4.725 4.740 -0.001 0.000 0.194 335 N C -0.133 175.383 175.510 0.011 0.000 1.126 335 N CA -0.037 53.017 53.050 0.008 0.000 0.845 335 N CB 0.059 38.547 38.487 0.002 0.000 0.976 335 N HN 0.127 nan 8.380 nan 0.000 0.475 336 L N 1.517 122.748 121.223 0.014 0.000 2.456 336 L HA 0.091 4.431 4.340 -0.001 0.000 0.272 336 L C 0.041 176.894 176.870 -0.027 0.000 1.189 336 L CA 0.443 55.290 54.840 0.011 0.000 0.846 336 L CB 0.594 42.681 42.059 0.046 0.000 1.111 336 L HN -0.093 nan 8.230 nan 0.000 0.475 337 T N 4.746 119.247 114.554 -0.087 0.000 2.771 337 T HA 0.495 4.845 4.350 -0.001 0.000 0.291 337 T C -0.344 174.105 174.700 -0.418 0.000 0.954 337 T CA -0.411 61.542 62.100 -0.245 0.000 1.045 337 T CB 0.937 69.630 68.868 -0.293 0.000 0.917 337 T HN 0.392 nan 8.240 nan 0.000 0.484 338 V N 3.998 123.643 119.914 -0.449 0.000 2.513 338 V HA 0.377 4.496 4.120 -0.001 0.000 0.299 338 V C -1.001 174.776 176.094 -0.527 0.000 1.035 338 V CA -0.912 61.098 62.300 -0.483 0.000 0.889 338 V CB 1.264 32.808 31.823 -0.466 0.000 0.988 338 V HN 0.874 nan 8.190 nan 0.000 0.440 339 Y N 5.477 125.687 120.300 -0.150 0.000 2.919 339 Y HA 0.313 4.862 4.550 -0.001 0.000 0.341 339 Y C -1.471 174.371 175.900 -0.096 0.000 1.045 339 Y CA -2.002 56.044 58.100 -0.091 0.000 1.218 339 Y CB 1.196 39.606 38.460 -0.083 0.000 1.137 339 Y HN 0.523 nan 8.280 nan 0.000 0.577 340 P HA -0.230 nan 4.420 nan 0.000 0.218 340 P C 1.177 178.493 177.300 0.027 0.000 1.149 340 P CA 1.554 64.666 63.100 0.021 0.000 0.817 340 P CB 0.468 32.199 31.700 0.052 0.000 0.785 341 E N 0.510 120.744 120.200 0.057 0.000 2.106 341 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 341 E C 1.486 178.096 176.600 0.017 0.000 0.984 341 E CA 1.190 57.614 56.400 0.040 0.000 0.806 341 E CB -1.437 28.294 29.700 0.051 0.000 0.750 341 E HN 0.179 nan 8.360 nan 0.000 0.458 342 N N 0.903 119.617 118.700 0.024 0.000 2.142 342 N HA -0.049 4.691 4.740 -0.001 0.000 0.186 342 N C 2.039 177.533 175.510 -0.026 0.000 1.023 342 N CA 1.562 54.602 53.050 -0.016 0.000 0.852 342 N CB -0.390 38.074 38.487 -0.039 0.000 0.998 342 N HN 0.246 nan 8.380 nan 0.000 0.424 343 M N 0.823 120.402 119.600 -0.034 0.000 2.080 343 M HA -0.156 4.324 4.480 -0.001 0.000 0.260 343 M C 1.963 178.212 176.300 -0.085 0.000 1.068 343 M CA 1.573 56.829 55.300 -0.073 0.000 1.109 343 M CB -0.179 32.363 32.600 -0.096 0.000 1.342 343 M HN 0.046 nan 8.290 nan 0.000 0.405 344 K N -0.280 120.079 120.400 -0.067 0.000 2.026 344 K HA -0.184 4.135 4.320 -0.001 0.000 0.208 344 K C 2.045 178.625 176.600 -0.034 0.000 1.048 344 K CA 1.427 57.672 56.287 -0.069 0.000 0.929 344 K CB -0.246 32.239 32.500 -0.026 0.000 0.713 344 K HN 0.229 nan 8.250 nan 0.000 0.439 345 R N 1.330 121.819 120.500 -0.017 0.000 2.096 345 R HA -0.175 4.164 4.340 -0.001 0.000 0.240 345 R C 1.768 178.062 176.300 -0.010 0.000 1.139 345 R CA 2.032 58.127 56.100 -0.008 0.000 0.952 345 R CB -0.199 30.093 30.300 -0.012 0.000 0.854 345 R HN 0.149 nan 8.270 nan 0.000 0.436 346 N N 0.418 119.109 118.700 -0.015 0.000 2.223 346 N HA -0.155 4.584 4.740 -0.001 0.000 0.185 346 N C 1.690 177.211 175.510 0.017 0.000 1.016 346 N CA 1.743 54.805 53.050 0.020 0.000 0.863 346 N CB -0.205 38.295 38.487 0.022 0.000 0.983 346 N HN 0.392 nan 8.380 nan 0.000 0.429 347 M N -0.210 119.341 119.600 -0.081 0.000 2.358 347 M HA -0.067 4.412 4.480 -0.001 0.000 0.264 347 M C 1.507 177.788 176.300 -0.032 0.000 1.064 347 M CA 1.006 56.224 55.300 -0.137 0.000 1.093 347 M CB -0.241 32.267 32.600 -0.154 0.000 1.401 347 M HN -0.038 nan 8.290 nan 0.000 0.440 348 T N -0.137 114.418 114.554 0.003 0.000 3.088 348 T HA 0.045 4.395 4.350 -0.001 0.000 0.259 348 T C 1.618 176.276 174.700 -0.070 0.000 1.122 348 T CA 0.726 62.831 62.100 0.010 0.000 1.095 348 T CB -0.044 68.836 68.868 0.019 0.000 0.930 348 T HN 0.370 nan 8.240 nan 0.000 0.508 349 R N 0.922 121.381 120.500 -0.068 0.000 2.297 349 R HA 0.053 4.392 4.340 -0.001 0.000 0.197 349 R C 1.372 177.396 176.300 -0.460 0.000 0.943 349 R CA 0.867 56.849 56.100 -0.197 0.000 1.038 349 R CB 0.161 30.420 30.300 -0.068 0.000 0.957 349 R HN 0.308 nan 8.270 nan 0.000 0.484 350 T N -3.522 110.819 114.554 -0.355 0.000 3.269 350 T HA 0.149 4.498 4.350 -0.001 0.000 0.269 350 T C -0.233 174.219 174.700 -0.412 0.000 0.993 350 T CA -0.627 61.160 62.100 -0.522 0.000 0.909 350 T CB -0.337 68.422 68.868 -0.181 0.000 1.115 350 T HN 0.297 nan 8.240 nan 0.000 0.543 351 Y N 0.398 120.639 120.300 -0.099 0.000 4.177 351 Y HA -0.207 4.342 4.550 -0.001 0.000 0.227 351 Y C 1.619 177.575 175.900 0.093 0.000 1.154 351 Y CA 0.638 58.716 58.100 -0.036 0.000 1.887 351 Y CB -2.397 35.990 38.460 -0.123 0.000 1.594 351 Y HN 0.741 nan 8.280 nan 0.000 0.668 352 G N -0.431 108.503 108.800 0.223 0.000 2.148 352 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.254 352 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.254 352 G C 0.843 175.930 174.900 0.311 0.000 0.981 352 G CA 0.367 45.732 45.100 0.442 0.000 0.670 352 G HN 0.545 nan 8.290 nan 0.000 0.528 353 L N 0.620 121.805 121.223 -0.063 0.000 2.265 353 L HA -0.011 4.329 4.340 -0.001 0.000 0.215 353 L C 2.980 179.621 176.870 -0.381 0.000 1.117 353 L CA 1.543 56.125 54.840 -0.430 0.000 0.782 353 L CB -0.425 41.288 42.059 -0.575 0.000 0.914 353 L HN 0.676 nan 8.230 nan 0.000 0.441 354 I N -3.659 116.708 120.570 -0.338 0.000 2.800 354 I HA -0.278 3.891 4.170 -0.001 0.000 0.266 354 I C 1.352 177.165 176.117 -0.506 0.000 1.249 354 I CA 1.480 62.518 61.300 -0.436 0.000 1.458 354 I CB -0.611 37.053 38.000 -0.561 0.000 1.093 354 I HN 0.168 nan 8.210 nan 0.000 0.466 355 Y N 1.487 121.701 120.300 -0.143 0.000 2.493 355 Y HA 0.122 4.672 4.550 -0.001 0.000 0.275 355 Y C 2.665 178.495 175.900 -0.118 0.000 1.183 355 Y CA 0.161 58.135 58.100 -0.211 0.000 1.258 355 Y CB -0.043 38.027 38.460 -0.651 0.000 1.108 355 Y HN 0.302 nan 8.280 nan 0.000 0.521 356 S N -0.034 115.626 115.700 -0.066 0.000 2.370 356 S HA -0.340 4.129 4.470 -0.001 0.000 0.226 356 S C 1.932 176.536 174.600 0.008 0.000 1.033 356 S CA 1.679 59.841 58.200 -0.064 0.000 1.011 356 S CB -0.381 62.607 63.200 -0.354 0.000 0.852 356 S HN 0.641 nan 8.310 nan 0.000 0.457 357 Q N 1.054 120.848 119.800 -0.010 0.000 2.084 357 Q HA -0.079 4.260 4.340 -0.001 0.000 0.202 357 Q C 2.491 178.525 176.000 0.057 0.000 0.978 357 Q CA 1.060 56.876 55.803 0.023 0.000 0.844 357 Q CB -0.096 28.675 28.738 0.054 0.000 0.898 357 Q HN 0.566 nan 8.270 nan 0.000 0.426 358 R N -0.402 120.144 120.500 0.076 0.000 2.096 358 R HA -0.095 4.245 4.340 -0.001 0.000 0.235 358 R C 2.275 178.586 176.300 0.018 0.000 1.127 358 R CA 1.310 57.435 56.100 0.042 0.000 0.968 358 R CB -0.194 30.127 30.300 0.034 0.000 0.861 358 R HN 0.207 nan 8.270 nan 0.000 0.440 359 V N 1.567 121.509 119.914 0.047 0.000 2.307 359 V HA -0.261 3.859 4.120 -0.001 0.000 0.245 359 V C 2.478 178.611 176.094 0.065 0.000 1.045 359 V CA 1.728 64.069 62.300 0.069 0.000 1.024 359 V CB -0.477 31.432 31.823 0.143 0.000 0.651 359 V HN 0.335 nan 8.190 nan 0.000 0.449 360 M N -0.506 119.134 119.600 0.067 0.000 2.080 360 M HA -0.216 4.264 4.480 -0.001 0.000 0.260 360 M C 2.116 178.450 176.300 0.056 0.000 1.068 360 M CA 2.113 57.446 55.300 0.056 0.000 1.109 360 M CB -0.197 32.418 32.600 0.026 0.000 1.342 360 M HN 0.262 nan 8.290 nan 0.000 0.405 361 L N 0.341 121.595 121.223 0.051 0.000 2.083 361 L HA -0.147 4.192 4.340 -0.001 0.000 0.209 361 L C 2.452 179.343 176.870 0.034 0.000 1.083 361 L CA 1.881 56.750 54.840 0.049 0.000 0.752 361 L CB -1.606 40.484 42.059 0.051 0.000 0.899 361 L HN 0.367 nan 8.230 nan 0.000 0.433 362 T N -0.614 113.954 114.554 0.022 0.000 2.821 362 T HA -0.132 4.217 4.350 -0.001 0.000 0.267 362 T C 2.070 176.782 174.700 0.021 0.000 1.046 362 T CA 0.897 63.004 62.100 0.011 0.000 1.139 362 T CB -0.184 68.683 68.868 -0.002 0.000 0.871 362 T HN 0.195 nan 8.240 nan 0.000 0.454 363 L N 0.250 121.492 121.223 0.032 0.000 2.083 363 L HA -0.017 4.322 4.340 -0.001 0.000 0.209 363 L C 2.387 179.279 176.870 0.036 0.000 1.083 363 L CA 1.127 55.988 54.840 0.035 0.000 0.752 363 L CB -0.514 41.573 42.059 0.046 0.000 0.899 363 L HN 0.281 nan 8.230 nan 0.000 0.433 364 I N -0.362 120.233 120.570 0.042 0.000 2.226 364 I HA -0.289 3.880 4.170 -0.001 0.000 0.245 364 I C 2.055 178.191 176.117 0.032 0.000 1.100 364 I CA 1.093 62.418 61.300 0.042 0.000 1.374 364 I CB -0.454 37.576 38.000 0.049 0.000 1.057 364 I HN 0.251 nan 8.210 nan 0.000 0.413 365 D N 1.151 121.567 120.400 0.027 0.000 2.158 365 D HA -0.165 4.474 4.640 -0.001 0.000 0.197 365 D C 1.844 178.155 176.300 0.017 0.000 0.995 365 D CA 1.181 55.193 54.000 0.021 0.000 0.846 365 D CB -0.191 40.618 40.800 0.015 0.000 0.941 365 D HN 0.215 nan 8.370 nan 0.000 0.456 366 K N -0.680 119.731 120.400 0.017 0.000 2.444 366 K HA 0.213 4.532 4.320 -0.001 0.000 0.193 366 K C 1.319 177.929 176.600 0.017 0.000 1.024 366 K CA 0.523 56.819 56.287 0.014 0.000 1.077 366 K CB 0.983 33.490 32.500 0.012 0.000 0.833 366 K HN 0.242 nan 8.250 nan 0.000 0.517 367 G N 0.519 109.332 108.800 0.021 0.000 2.296 367 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.188 367 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.188 367 G C 0.182 175.098 174.900 0.026 0.000 1.000 367 G CA -0.464 44.648 45.100 0.021 0.000 0.672 367 G HN 0.151 nan 8.290 nan 0.000 0.483 368 M N 1.416 121.035 119.600 0.031 0.000 2.238 368 M HA 0.427 4.906 4.480 -0.001 0.000 0.347 368 M C 1.047 177.372 176.300 0.042 0.000 1.173 368 M CA -0.041 55.281 55.300 0.038 0.000 1.147 368 M CB 1.511 34.138 32.600 0.045 0.000 1.547 368 M HN 0.021 nan 8.290 nan 0.000 0.455 369 V N 3.653 123.592 119.914 0.042 0.000 3.051 369 V HA 0.050 4.169 4.120 -0.001 0.000 0.306 369 V C 1.451 177.580 176.094 0.059 0.000 1.083 369 V CA 0.271 62.596 62.300 0.043 0.000 1.104 369 V CB 1.143 32.986 31.823 0.035 0.000 1.027 369 V HN 0.936 nan 8.190 nan 0.000 0.483 370 R N 1.768 122.306 120.500 0.062 0.000 2.081 370 R HA -0.105 4.235 4.340 -0.001 0.000 0.235 370 R C 1.935 178.304 176.300 0.115 0.000 1.131 370 R CA 1.970 58.125 56.100 0.091 0.000 0.960 370 R CB -0.094 30.256 30.300 0.083 0.000 0.856 370 R HN 0.932 nan 8.270 nan 0.000 0.436 371 E N 0.385 120.627 120.200 0.070 0.000 2.150 371 E HA -0.230 4.119 4.350 -0.001 0.000 0.193 371 E C 1.583 178.241 176.600 0.097 0.000 0.985 371 E CA 1.092 57.527 56.400 0.058 0.000 0.814 371 E CB -0.347 29.353 29.700 -0.000 0.000 0.752 371 E HN 0.568 nan 8.360 nan 0.000 0.466 372 E N 1.267 121.517 120.200 0.083 0.000 2.028 372 E HA -0.114 4.235 4.350 -0.001 0.000 0.191 372 E C 2.096 178.760 176.600 0.107 0.000 0.988 372 E CA 1.078 57.527 56.400 0.082 0.000 0.799 372 E CB -0.074 29.662 29.700 0.059 0.000 0.755 372 E HN 0.232 nan 8.360 nan 0.000 0.447 373 A N 0.572 123.459 122.820 0.112 0.000 1.865 373 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 373 A C 2.104 179.780 177.584 0.152 0.000 1.191 373 A CA 1.673 53.778 52.037 0.113 0.000 0.623 373 A CB -1.192 17.868 19.000 0.100 0.000 0.826 373 A HN 0.595 nan 8.150 nan 0.000 0.444 374 Y N 0.714 121.048 120.300 0.056 0.000 2.128 374 Y HA -0.266 4.283 4.550 -0.001 0.000 0.284 374 Y C 1.732 177.670 175.900 0.063 0.000 1.154 374 Y CA 2.068 60.204 58.100 0.060 0.000 1.149 374 Y CB -0.025 38.464 38.460 0.048 0.000 0.976 374 Y HN 0.355 nan 8.280 nan 0.000 0.505 375 D N -0.104 120.496 120.400 0.334 0.000 2.317 375 D HA -0.083 4.556 4.640 -0.001 0.000 0.211 375 D C 2.082 178.471 176.300 0.148 0.000 0.966 375 D CA 0.882 55.021 54.000 0.232 0.000 0.876 375 D CB -0.090 40.801 40.800 0.152 0.000 0.927 375 D HN 0.461 nan 8.370 nan 0.000 0.519 376 I N 0.036 120.681 120.570 0.126 0.000 2.286 376 I HA -0.176 3.993 4.170 -0.001 0.000 0.245 376 I C 2.060 178.243 176.117 0.110 0.000 1.104 376 I CA 0.655 62.014 61.300 0.099 0.000 1.397 376 I CB 0.118 38.167 38.000 0.081 0.000 1.072 376 I HN -0.092 nan 8.210 nan 0.000 0.417 377 V N 0.203 120.182 119.914 0.108 0.000 2.535 377 V HA -0.224 3.895 4.120 -0.001 0.000 0.246 377 V C 2.363 178.515 176.094 0.097 0.000 1.045 377 V CA 1.371 63.751 62.300 0.132 0.000 1.058 377 V CB -0.549 31.333 31.823 0.098 0.000 0.689 377 V HN 0.457 nan 8.190 nan 0.000 0.461 378 Q N 0.188 120.014 119.800 0.044 0.000 2.061 378 Q HA -0.209 4.130 4.340 -0.001 0.000 0.204 378 Q C -0.167 175.890 176.000 0.094 0.000 0.984 378 Q CA 2.349 58.181 55.803 0.047 0.000 0.846 378 Q CB -0.868 27.966 28.738 0.160 0.000 0.902 378 Q HN 0.509 nan 8.270 nan 0.000 0.421 379 P HA -0.133 nan 4.420 nan 0.000 0.217 379 P C 0.555 177.921 177.300 0.110 0.000 1.150 379 P CA 1.419 64.580 63.100 0.103 0.000 0.832 379 P CB -0.048 31.706 31.700 0.091 0.000 0.787 380 K N -0.216 120.271 120.400 0.144 0.000 2.026 380 K HA -0.083 4.236 4.320 -0.001 0.000 0.208 380 K C 2.199 178.927 176.600 0.214 0.000 1.048 380 K CA 1.521 57.926 56.287 0.196 0.000 0.929 380 K CB -0.796 31.870 32.500 0.277 0.000 0.713 380 K HN 0.022 nan 8.250 nan 0.000 0.439 381 A N 1.690 124.595 122.820 0.142 0.000 1.873 381 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 381 A C 2.163 179.749 177.584 0.004 0.000 1.193 381 A CA 1.807 53.780 52.037 -0.106 0.000 0.629 381 A CB -0.430 18.440 19.000 -0.217 0.000 0.826 381 A HN 0.146 nan 8.150 nan 0.000 0.447 382 M N -0.776 118.897 119.600 0.123 0.000 2.229 382 M HA -0.087 4.392 4.480 -0.001 0.000 0.264 382 M C 1.961 178.354 176.300 0.154 0.000 1.063 382 M CA 1.562 56.989 55.300 0.213 0.000 1.114 382 M CB -1.432 31.263 32.600 0.158 0.000 1.387 382 M HN 0.706 nan 8.290 nan 0.000 0.420 383 E N 0.438 120.693 120.200 0.093 0.000 2.077 383 E HA -0.145 4.205 4.350 -0.001 0.000 0.193 383 E C 2.000 178.601 176.600 0.003 0.000 0.989 383 E CA 1.349 57.781 56.400 0.055 0.000 0.800 383 E CB 0.136 29.866 29.700 0.051 0.000 0.746 383 E HN 0.428 nan 8.360 nan 0.000 0.452 384 A N 0.512 123.311 122.820 -0.035 0.000 1.877 384 A HA -0.171 4.148 4.320 -0.001 0.000 0.216 384 A C 1.874 179.245 177.584 -0.355 0.000 1.186 384 A CA 1.282 53.196 52.037 -0.206 0.000 0.620 384 A CB -1.258 17.642 19.000 -0.167 0.000 0.822 384 A HN 0.551 nan 8.150 nan 0.000 0.443 385 W N -0.367 120.842 121.300 -0.151 0.000 2.318 385 W HA -0.229 4.431 4.660 -0.001 0.000 0.313 385 W C 2.383 178.831 176.519 -0.119 0.000 1.221 385 W CA 1.474 58.764 57.345 -0.092 0.000 1.266 385 W CB -0.051 29.405 29.460 -0.008 0.000 1.150 385 W HN 0.472 nan 8.180 nan 0.000 0.496 386 E N -1.089 119.208 120.200 0.162 0.000 2.208 386 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 386 E C 1.987 178.592 176.600 0.007 0.000 0.988 386 E CA 1.661 58.109 56.400 0.079 0.000 0.828 386 E CB -0.216 29.522 29.700 0.065 0.000 0.763 386 E HN -0.008 nan 8.360 nan 0.000 0.478 387 T N -1.850 112.663 114.554 -0.069 0.000 3.003 387 T HA 0.086 4.436 4.350 -0.001 0.000 0.261 387 T C -0.185 174.426 174.700 -0.149 0.000 1.003 387 T CA 0.362 62.412 62.100 -0.084 0.000 0.917 387 T CB 0.026 68.856 68.868 -0.064 0.000 1.084 387 T HN 0.076 nan 8.240 nan 0.000 0.522 388 Q N 0.200 119.790 119.800 -0.350 0.000 2.481 388 Q HA -0.109 4.230 4.340 -0.001 0.000 0.258 388 Q C -0.327 175.516 176.000 -0.262 0.000 0.961 388 Q CA 0.667 56.209 55.803 -0.436 0.000 1.121 388 Q CB -2.437 26.285 28.738 -0.027 0.000 1.503 388 Q HN 0.474 nan 8.270 nan 0.000 0.544 389 V N 0.388 120.146 119.914 -0.259 0.000 2.716 389 V HA 0.357 4.476 4.120 -0.001 0.000 0.304 389 V C 0.270 176.334 176.094 -0.051 0.000 1.053 389 V CA -0.721 61.523 62.300 -0.093 0.000 0.984 389 V CB 1.708 33.495 31.823 -0.060 0.000 1.021 389 V HN 0.188 nan 8.190 nan 0.000 0.467 390 Q N 3.609 123.440 119.800 0.052 0.000 2.300 390 Q HA 0.032 4.372 4.340 -0.001 0.000 0.280 390 Q C 0.670 176.748 176.000 0.130 0.000 1.033 390 Q CA 0.435 56.313 55.803 0.126 0.000 0.903 390 Q CB 0.561 29.343 28.738 0.073 0.000 1.195 390 Q HN 0.906 nan 8.270 nan 0.000 0.386 391 F N 3.480 123.473 119.950 0.072 0.000 2.161 391 F HA -0.302 4.224 4.527 -0.001 0.000 0.300 391 F C 2.134 177.986 175.800 0.086 0.000 1.089 391 F CA 1.695 59.755 58.000 0.100 0.000 1.282 391 F CB 0.257 39.381 39.000 0.207 0.000 1.010 391 F HN 0.546 nan 8.300 nan 0.000 0.485 392 K N 0.697 120.989 120.400 -0.180 0.000 2.057 392 K HA -0.274 4.046 4.320 -0.001 0.000 0.207 392 K C 2.155 178.498 176.600 -0.428 0.000 1.049 392 K CA 1.844 57.720 56.287 -0.686 0.000 0.931 392 K CB -0.388 31.478 32.500 -1.056 0.000 0.714 392 K HN 0.477 nan 8.250 nan 0.000 0.440 393 E N 0.569 120.618 120.200 -0.251 0.000 2.077 393 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 393 E C 1.980 178.493 176.600 -0.145 0.000 0.989 393 E CA 1.237 57.536 56.400 -0.167 0.000 0.800 393 E CB -0.070 29.570 29.700 -0.099 0.000 0.746 393 E HN 0.361 nan 8.360 nan 0.000 0.452 394 L N 0.252 121.396 121.223 -0.131 0.000 2.093 394 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 394 L C 2.541 179.323 176.870 -0.146 0.000 1.085 394 L CA 0.572 55.356 54.840 -0.093 0.000 0.755 394 L CB -0.317 41.738 42.059 -0.007 0.000 0.904 394 L HN 0.093 nan 8.230 nan 0.000 0.435 395 V N -0.077 119.665 119.914 -0.286 0.000 2.343 395 V HA -0.262 3.857 4.120 -0.001 0.000 0.247 395 V C 2.232 178.229 176.094 -0.161 0.000 1.051 395 V CA 1.762 63.901 62.300 -0.268 0.000 1.036 395 V CB -0.442 31.139 31.823 -0.403 0.000 0.654 395 V HN 0.449 nan 8.190 nan 0.000 0.451 396 E N -0.088 120.006 120.200 -0.176 0.000 2.418 396 E HA -0.024 4.326 4.350 -0.001 0.000 0.197 396 E C 1.986 178.533 176.600 -0.088 0.000 1.026 396 E CA 0.856 57.179 56.400 -0.129 0.000 0.862 396 E CB -0.141 29.469 29.700 -0.149 0.000 0.799 396 E HN 0.605 nan 8.360 nan 0.000 0.518 397 A N 0.703 123.474 122.820 -0.080 0.000 2.238 397 A HA -0.023 4.296 4.320 -0.001 0.000 0.210 397 A C 0.645 178.206 177.584 -0.038 0.000 1.179 397 A CA -0.029 51.976 52.037 -0.053 0.000 0.827 397 A CB 0.395 19.366 19.000 -0.047 0.000 0.856 397 A HN 0.010 nan 8.150 nan 0.000 0.488 398 D N 0.317 120.692 120.400 -0.040 0.000 2.359 398 D HA 0.121 4.760 4.640 -0.001 0.000 0.230 398 D C 0.918 177.206 176.300 -0.019 0.000 1.118 398 D CA -0.184 53.803 54.000 -0.022 0.000 0.844 398 D CB 1.034 41.826 40.800 -0.013 0.000 1.059 398 D HN 0.462 nan 8.370 nan 0.000 0.493 399 E N 3.902 124.094 120.200 -0.013 0.000 2.153 399 E HA -0.212 4.137 4.350 -0.001 0.000 0.194 399 E C 1.572 178.168 176.600 -0.006 0.000 0.988 399 E CA 0.838 57.231 56.400 -0.011 0.000 0.811 399 E CB 0.219 29.914 29.700 -0.008 0.000 0.746 399 E HN 0.459 nan 8.360 nan 0.000 0.466 400 R N 0.396 120.896 120.500 0.000 0.000 2.307 400 R HA -0.011 4.329 4.340 -0.001 0.000 0.199 400 R C 1.879 178.183 176.300 0.007 0.000 1.000 400 R CA 0.749 56.853 56.100 0.006 0.000 1.023 400 R CB -0.254 30.054 30.300 0.013 0.000 0.908 400 R HN 0.318 nan 8.270 nan 0.000 0.473 401 I N 1.763 122.333 120.570 0.001 0.000 2.499 401 I HA -0.135 4.034 4.170 -0.001 0.000 0.243 401 I C 2.204 178.315 176.117 -0.010 0.000 1.085 401 I CA 1.406 62.705 61.300 -0.002 0.000 1.422 401 I CB -0.422 37.573 38.000 -0.009 0.000 1.165 401 I HN 0.204 nan 8.210 nan 0.000 0.440 402 T N -1.287 113.255 114.554 -0.019 0.000 3.007 402 T HA -0.095 4.254 4.350 -0.001 0.000 0.270 402 T C 1.835 176.525 174.700 -0.017 0.000 1.107 402 T CA 1.162 63.247 62.100 -0.024 0.000 1.118 402 T CB -0.556 68.292 68.868 -0.034 0.000 0.889 402 T HN 0.410 nan 8.240 nan 0.000 0.506 403 S N 1.540 117.233 115.700 -0.011 0.000 2.453 403 S HA 0.053 4.523 4.470 -0.001 0.000 0.231 403 S C 1.826 176.423 174.600 -0.005 0.000 1.005 403 S CA 0.161 58.356 58.200 -0.007 0.000 0.949 403 S CB -0.250 62.947 63.200 -0.004 0.000 0.774 403 S HN 0.679 nan 8.310 nan 0.000 0.510 404 K N -0.317 120.081 120.400 -0.003 0.000 2.350 404 K HA 0.327 4.646 4.320 -0.001 0.000 0.196 404 K C -0.689 175.910 176.600 -0.003 0.000 1.084 404 K CA -0.021 56.266 56.287 0.000 0.000 0.967 404 K CB 0.093 32.596 32.500 0.006 0.000 0.950 404 K HN 0.236 nan 8.250 nan 0.000 0.512 405 L N 2.316 123.535 121.223 -0.006 0.000 2.307 405 L HA 0.180 4.519 4.340 -0.001 0.000 0.284 405 L C 0.472 177.333 176.870 -0.016 0.000 1.023 405 L CA -0.378 54.456 54.840 -0.009 0.000 0.810 405 L CB 1.426 43.482 42.059 -0.004 0.000 1.231 405 L HN 0.125 nan 8.230 nan 0.000 0.423 406 T N -1.062 113.481 114.554 -0.018 0.000 2.813 406 T HA 0.104 4.453 4.350 -0.001 0.000 0.297 406 T C 0.940 175.622 174.700 -0.029 0.000 1.036 406 T CA -0.322 61.764 62.100 -0.023 0.000 1.044 406 T CB 0.809 69.664 68.868 -0.022 0.000 0.993 406 T HN 0.568 nan 8.240 nan 0.000 0.535 407 Q N 0.663 120.442 119.800 -0.036 0.000 2.096 407 Q HA -0.155 4.185 4.340 -0.001 0.000 0.204 407 Q C 2.118 178.092 176.000 -0.042 0.000 0.982 407 Q CA 2.259 58.035 55.803 -0.046 0.000 0.850 407 Q CB -0.609 28.099 28.738 -0.050 0.000 0.901 407 Q HN 0.916 nan 8.270 nan 0.000 0.422 408 E N 0.034 120.212 120.200 -0.037 0.000 2.065 408 E HA -0.264 4.086 4.350 -0.001 0.000 0.201 408 E C 1.999 178.579 176.600 -0.033 0.000 1.016 408 E CA 1.849 58.227 56.400 -0.037 0.000 0.818 408 E CB -0.143 29.537 29.700 -0.033 0.000 0.749 408 E HN 0.506 nan 8.360 nan 0.000 0.453 409 E N 0.235 120.418 120.200 -0.028 0.000 2.051 409 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 409 E C 2.245 178.841 176.600 -0.006 0.000 0.991 409 E CA 1.012 57.397 56.400 -0.025 0.000 0.799 409 E CB -0.174 29.514 29.700 -0.021 0.000 0.748 409 E HN 0.265 nan 8.360 nan 0.000 0.449 410 I N 1.861 122.435 120.570 0.008 0.000 2.151 410 I HA -0.333 3.836 4.170 -0.001 0.000 0.243 410 I C 1.983 178.165 176.117 0.108 0.000 1.080 410 I CA 0.992 62.327 61.300 0.059 0.000 1.339 410 I CB -0.411 37.585 38.000 -0.008 0.000 1.039 410 I HN 0.119 nan 8.210 nan 0.000 0.409 411 N N 0.710 119.417 118.700 0.011 0.000 2.166 411 N HA -0.183 4.556 4.740 -0.001 0.000 0.186 411 N C 1.734 177.244 175.510 -0.000 0.000 1.019 411 N CA 1.230 54.277 53.050 -0.006 0.000 0.856 411 N CB -0.331 38.126 38.487 -0.052 0.000 0.993 411 N HN 0.442 nan 8.380 nan 0.000 0.426 412 E N 0.156 120.337 120.200 -0.032 0.000 2.085 412 E HA -0.140 4.210 4.350 -0.001 0.000 0.194 412 E C 1.927 178.451 176.600 -0.127 0.000 0.994 412 E CA 1.061 57.411 56.400 -0.083 0.000 0.801 412 E CB -0.102 29.538 29.700 -0.099 0.000 0.743 412 E HN 0.337 nan 8.360 nan 0.000 0.453 413 C N -0.105 119.143 119.300 -0.087 0.000 2.411 413 C HA -0.136 4.323 4.460 -0.001 0.000 0.279 413 C C 1.741 176.447 174.990 -0.473 0.000 1.288 413 C CA 0.491 59.391 59.018 -0.196 0.000 1.764 413 C CB -0.946 26.707 27.740 -0.145 0.000 1.974 413 C HN 0.298 nan 8.230 nan 0.000 0.498 414 F N 0.434 120.119 119.950 -0.441 0.000 2.639 414 F HA 0.260 4.787 4.527 -0.001 0.000 0.300 414 F C 0.844 176.176 175.800 -0.780 0.000 1.109 414 F CA -0.068 57.359 58.000 -0.956 0.000 1.335 414 F CB -0.468 38.235 39.000 -0.495 0.000 1.014 414 F HN 0.170 nan 8.300 nan 0.000 0.537 415 N N 0.554 119.067 118.700 -0.312 0.000 2.422 415 N HA -0.013 4.726 4.740 -0.001 0.000 0.266 415 N C 0.772 176.361 175.510 0.130 0.000 1.007 415 N CA -0.235 52.734 53.050 -0.135 0.000 0.941 415 N CB 0.845 39.270 38.487 -0.105 0.000 1.115 415 N HN 0.268 nan 8.380 nan 0.000 0.492 416 Y N 2.870 123.326 120.300 0.260 0.000 2.457 416 Y HA 0.063 4.613 4.550 -0.001 0.000 0.292 416 Y C 1.906 178.014 175.900 0.346 0.000 1.125 416 Y CA 0.893 59.251 58.100 0.429 0.000 1.254 416 Y CB -0.446 38.190 38.460 0.293 0.000 1.012 416 Y HN 0.650 nan 8.280 nan 0.000 0.555 417 E N 0.622 120.901 120.200 0.131 0.000 2.118 417 E HA -0.379 3.970 4.350 -0.001 0.000 0.195 417 E C 2.073 178.766 176.600 0.156 0.000 0.992 417 E CA 1.539 58.021 56.400 0.137 0.000 0.804 417 E CB -1.081 28.594 29.700 -0.042 0.000 0.741 417 E HN 0.765 nan 8.360 nan 0.000 0.458 418 H N 0.390 119.477 119.070 0.029 0.000 2.400 418 H HA -0.207 4.349 4.556 -0.001 0.000 0.295 418 H C 1.129 176.385 175.328 -0.119 0.000 1.118 418 H CA 2.237 58.231 56.048 -0.090 0.000 1.256 418 H CB -0.071 29.572 29.762 -0.198 0.000 1.365 418 H HN 0.451 nan 8.280 nan 0.000 0.502 419 H N -0.846 118.270 119.070 0.077 0.000 2.548 419 H HA 0.082 4.637 4.556 -0.001 0.000 0.268 419 H C 1.842 177.187 175.328 0.027 0.000 0.975 419 H CA 0.608 56.669 56.048 0.022 0.000 1.195 419 H CB 0.194 30.035 29.762 0.131 0.000 1.397 419 H HN 0.350 nan 8.280 nan 0.000 0.572 420 M N 0.843 120.527 119.600 0.140 0.000 2.495 420 M HA -0.013 4.467 4.480 -0.001 0.000 0.237 420 M C 1.531 177.848 176.300 0.029 0.000 1.131 420 M CA 0.253 55.629 55.300 0.127 0.000 1.032 420 M CB 0.232 32.954 32.600 0.203 0.000 1.513 420 M HN 0.424 nan 8.290 nan 0.000 0.488 421 Q N -0.108 119.629 119.800 -0.106 0.000 2.291 421 Q HA -0.161 4.179 4.340 -0.001 0.000 0.206 421 Q C 0.604 176.334 176.000 -0.449 0.000 0.976 421 Q CA 1.282 56.914 55.803 -0.284 0.000 0.875 421 Q CB -0.165 28.331 28.738 -0.402 0.000 0.927 421 Q HN 0.557 nan 8.270 nan 0.000 0.450 422 H N -0.434 118.640 119.070 0.007 0.000 2.662 422 H HA 0.246 4.802 4.556 -0.001 0.000 0.268 422 H C 1.434 176.791 175.328 0.048 0.000 1.152 422 H CA -0.177 55.886 56.048 0.024 0.000 1.072 422 H CB 1.042 30.809 29.762 0.008 0.000 1.660 422 H HN 0.063 nan 8.280 nan 0.000 0.584 423 V N 0.683 120.665 119.914 0.113 0.000 2.295 423 V HA -0.253 3.867 4.120 -0.001 0.000 0.246 423 V C 2.320 178.437 176.094 0.039 0.000 1.049 423 V CA 2.448 64.776 62.300 0.048 0.000 1.024 423 V CB -0.166 31.604 31.823 -0.089 0.000 0.648 423 V HN 0.386 nan 8.190 nan 0.000 0.447 424 D N -0.139 120.289 120.400 0.046 0.000 2.144 424 D HA -0.200 4.439 4.640 -0.001 0.000 0.199 424 D C 2.280 178.662 176.300 0.138 0.000 0.984 424 D CA 1.811 55.849 54.000 0.063 0.000 0.834 424 D CB -0.177 40.671 40.800 0.080 0.000 0.955 424 D HN 0.459 nan 8.370 nan 0.000 0.465 425 T N -1.252 113.399 114.554 0.162 0.000 2.821 425 T HA -0.104 4.245 4.350 -0.001 0.000 0.267 425 T C 2.159 176.942 174.700 0.138 0.000 1.046 425 T CA 1.312 63.508 62.100 0.160 0.000 1.139 425 T CB -0.513 68.485 68.868 0.216 0.000 0.871 425 T HN 0.234 nan 8.240 nan 0.000 0.454 426 I N -0.312 120.355 120.570 0.162 0.000 2.179 426 I HA -0.016 4.153 4.170 -0.001 0.000 0.242 426 I C 2.214 178.422 176.117 0.153 0.000 1.088 426 I CA 1.290 62.672 61.300 0.137 0.000 1.357 426 I CB -0.473 37.614 38.000 0.144 0.000 1.051 426 I HN 0.166 nan 8.210 nan 0.000 0.409 427 F N 1.281 121.209 119.950 -0.036 0.000 2.126 427 F HA -0.254 4.273 4.527 -0.001 0.000 0.299 427 F C 2.580 178.355 175.800 -0.042 0.000 1.096 427 F CA 1.875 59.833 58.000 -0.070 0.000 1.255 427 F CB -0.568 38.369 39.000 -0.105 0.000 0.997 427 F HN 0.084 nan 8.300 nan 0.000 0.479 428 E N 0.412 120.709 120.200 0.162 0.000 2.085 428 E HA -0.199 4.151 4.350 -0.001 0.000 0.194 428 E C 2.288 178.920 176.600 0.053 0.000 0.994 428 E CA 1.472 57.926 56.400 0.090 0.000 0.801 428 E CB -0.152 29.597 29.700 0.082 0.000 0.743 428 E HN 0.251 nan 8.360 nan 0.000 0.453 429 R N -0.663 119.866 120.500 0.048 0.000 2.091 429 R HA -0.119 4.221 4.340 -0.001 0.000 0.238 429 R C 2.012 178.324 176.300 0.020 0.000 1.136 429 R CA 1.311 57.428 56.100 0.029 0.000 0.959 429 R CB -0.355 29.960 30.300 0.024 0.000 0.856 429 R HN 0.196 nan 8.270 nan 0.000 0.437 430 L N -0.572 120.647 121.223 -0.006 0.000 2.465 430 L HA 0.064 4.404 4.340 -0.001 0.000 0.224 430 L C 1.419 178.312 176.870 0.039 0.000 1.145 430 L CA 1.702 56.545 54.840 0.005 0.000 0.834 430 L CB -0.630 41.352 42.059 -0.128 0.000 0.944 430 L HN 0.555 nan 8.230 nan 0.000 0.451 431 G N -1.057 107.744 108.800 0.002 0.000 2.143 431 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.249 431 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.249 431 G C 0.805 175.671 174.900 -0.056 0.000 0.981 431 G CA 0.380 45.484 45.100 0.007 0.000 0.665 431 G HN 0.365 nan 8.290 nan 0.000 0.528 432 L N -0.029 121.117 121.223 -0.128 0.000 2.653 432 L HA 0.294 4.634 4.340 -0.001 0.000 0.232 432 L C 0.862 177.771 176.870 0.064 0.000 1.169 432 L CA -0.366 54.375 54.840 -0.166 0.000 0.951 432 L CB -0.169 41.589 42.059 -0.502 0.000 1.181 432 L HN 0.101 nan 8.230 nan 0.000 0.460 433 N N 0.422 119.163 118.700 0.069 0.000 2.492 433 N HA 0.149 4.889 4.740 -0.001 0.000 0.289 433 N C 0.336 175.871 175.510 0.042 0.000 1.133 433 N CA -0.340 52.760 53.050 0.084 0.000 0.961 433 N CB 1.181 39.719 38.487 0.085 0.000 1.186 433 N HN 0.013 nan 8.380 nan 0.000 0.493 434 E N -0.008 120.214 120.200 0.035 0.000 2.660 434 E HA -0.244 4.106 4.350 -0.001 0.000 0.260 434 E C -0.148 176.460 176.600 0.013 0.000 1.122 434 E CA 0.659 57.071 56.400 0.021 0.000 0.755 434 E CB -1.235 28.477 29.700 0.020 0.000 1.345 434 E HN 0.844 nan 8.360 nan 0.000 0.421 435 A N 0.000 122.826 122.820 0.010 0.000 2.254 435 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 435 A CA 0.000 52.038 52.037 0.002 0.000 0.836 435 A CB 0.000 19.001 19.000 0.001 0.000 0.831 435 A HN 0.000 nan 8.150 nan 0.000 0.486