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 2oov_1_C DATA FIRST_RESID 18 DATA SEQUENCE PARPAHPLDP LSTAEIKAAT NTVKSYFAGK KISFNTVTLR EPARKAYIQW DATA SEQUENCE KEQGGPLPPR LAYYVILEAG KPGVKEGLVD LASLSVIETR ALETVQPILT DATA SEQUENCE VEDLCSTEEV IRNDPAVIEQ CVLSGIPANE MHKVYCDPWT IGYDERWGTG DATA SEQUENCE KRLQQALVYY RSDEDDSQYS HPLDFCPIVD TEEKKVIFID IPNRRRKVSK DATA SEQUENCE HKHANFYPKH MIEKVGAMRP EAPPINVTQP EGVSFKMTGN VMEWSNFKFH DATA SEQUENCE IGFNYREGIV LSDVSYNDHG NVRPIFHRIS LSEMIVPYGS PEFPHQRKHA DATA SEQUENCE LDIGEYGAGY MTNPLSLGCD CKGVIHYLDA HFSDRAGDPI TVKNAVCIHE DATA SEQUENCE EDDGLLFKHS DFRDNFATSL VTRATKLVVS QIFTAANXEY CLYWVFMQDG DATA SEQUENCE AIRLDIRLTG ILNTYILGDD EEAGPWGTRV YPNVNAHNHQ HLFSLRIDPR DATA SEQUENCE IDGDGNSAAA CDAKSSPYPL GSPENMYGNA FYSEKTTFKT VKDSLTNYES DATA SEQUENCE ATGRSWDIFN PNKVNPYSGK PPSYKLVSTQ CPPLLAKEGS LVAKRAPWAS DATA SEQUENCE HSVNVVPYKD NRLYPSGDHV PQWSGDGVRG MREWIGDGSE NIDNTDILFF DATA SEQUENCE HTFGITHFPA PEDFPLMPAE PITLMLRPRH FFTENPGLDI QPSYAMTTSE DATA SEQUENCE AKRAV 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 18 P HA 0.000 nan 4.420 nan 0.000 0.216 18 P C 0.000 177.302 177.300 0.003 0.000 1.155 18 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 18 P CB 0.000 31.698 31.700 -0.003 0.000 0.726 19 A N 1.423 124.245 122.820 0.003 0.000 2.483 19 A HA 0.429 4.748 4.320 -0.001 0.000 0.238 19 A C 0.527 178.118 177.584 0.012 0.000 1.070 19 A CA -0.112 51.930 52.037 0.008 0.000 0.770 19 A CB -0.036 18.969 19.000 0.010 0.000 1.008 19 A HN 0.495 nan 8.150 nan 0.000 0.497 20 R N 1.622 122.130 120.500 0.013 0.000 2.694 20 R HA 0.305 4.645 4.340 -0.001 0.000 0.268 20 R C -1.943 174.372 176.300 0.025 0.000 1.061 20 R CA -0.791 55.316 56.100 0.012 0.000 1.133 20 R CB -0.083 30.220 30.300 0.006 0.000 1.020 20 R HN 0.645 nan 8.270 nan 0.000 0.475 21 P HA 0.064 nan 4.420 nan 0.000 0.276 21 P C -0.309 177.036 177.300 0.076 0.000 1.261 21 P CA -0.274 62.862 63.100 0.060 0.000 0.800 21 P CB 0.854 32.598 31.700 0.074 0.000 1.066 22 A N -0.033 122.856 122.820 0.115 0.000 2.019 22 A HA -0.117 4.202 4.320 -0.001 0.000 0.219 22 A C 1.105 178.815 177.584 0.208 0.000 1.164 22 A CA 1.444 53.571 52.037 0.150 0.000 0.644 22 A CB -0.798 18.299 19.000 0.161 0.000 0.805 22 A HN 0.728 nan 8.150 nan 0.000 0.449 23 H N -2.369 116.751 119.070 0.083 0.000 2.954 23 H HA 0.319 4.874 4.556 -0.001 0.000 0.361 23 H C -2.737 172.550 175.328 -0.069 0.000 1.122 23 H CA -1.574 54.515 56.048 0.069 0.000 1.217 23 H CB 1.992 31.871 29.762 0.194 0.000 1.776 23 H HN -0.104 nan 8.280 nan 0.000 0.533 24 P HA -0.039 nan 4.420 nan 0.000 0.221 24 P C 1.210 178.496 177.300 -0.025 0.000 1.145 24 P CA 0.996 63.960 63.100 -0.226 0.000 0.795 24 P CB 0.347 31.750 31.700 -0.495 0.000 0.775 25 L N -2.060 119.231 121.223 0.113 0.000 2.607 25 L HA 0.145 4.485 4.340 -0.001 0.000 0.228 25 L C 0.255 177.062 176.870 -0.105 0.000 1.123 25 L CA -0.187 54.526 54.840 -0.211 0.000 0.890 25 L CB -0.415 41.243 42.059 -0.669 0.000 1.103 25 L HN -0.133 nan 8.230 nan 0.000 0.468 26 D N 2.019 122.496 120.400 0.128 0.000 2.488 26 D HA 0.096 4.736 4.640 -0.001 0.000 0.238 26 D C -2.025 174.381 176.300 0.176 0.000 1.138 26 D CA -0.944 53.210 54.000 0.257 0.000 0.873 26 D CB 0.590 41.523 40.800 0.223 0.000 1.183 26 D HN -0.052 nan 8.370 nan 0.000 0.458 27 P HA 0.027 nan 4.420 nan 0.000 0.269 27 P C 0.084 177.478 177.300 0.157 0.000 1.217 27 P CA -0.296 62.915 63.100 0.185 0.000 0.783 27 P CB 0.498 32.330 31.700 0.220 0.000 0.898 28 L N 0.605 121.919 121.223 0.152 0.000 2.525 28 L HA 0.029 4.369 4.340 -0.001 0.000 0.278 28 L C 1.322 178.251 176.870 0.098 0.000 1.218 28 L CA 0.123 55.032 54.840 0.114 0.000 0.878 28 L CB -0.328 41.800 42.059 0.114 0.000 1.127 28 L HN 0.497 nan 8.230 nan 0.000 0.492 29 S N 0.141 115.864 115.700 0.038 0.000 2.624 29 S HA 0.111 4.581 4.470 -0.001 0.000 0.263 29 S C 1.339 175.872 174.600 -0.111 0.000 1.287 29 S CA -0.201 57.970 58.200 -0.048 0.000 0.990 29 S CB 1.237 64.408 63.200 -0.048 0.000 0.950 29 S HN 0.783 nan 8.310 nan 0.000 0.561 30 T N -1.218 113.175 114.554 -0.269 0.000 2.720 30 T HA -0.149 4.200 4.350 -0.001 0.000 0.268 30 T C 1.978 176.614 174.700 -0.107 0.000 1.037 30 T CA 1.280 63.255 62.100 -0.208 0.000 1.144 30 T CB -1.195 67.511 68.868 -0.271 0.000 0.864 30 T HN 0.904 nan 8.240 nan 0.000 0.444 31 A N 1.811 124.576 122.820 -0.092 0.000 1.933 31 A HA -0.095 4.225 4.320 -0.001 0.000 0.218 31 A C 2.327 179.888 177.584 -0.039 0.000 1.175 31 A CA 1.686 53.690 52.037 -0.056 0.000 0.628 31 A CB -0.699 18.275 19.000 -0.043 0.000 0.814 31 A HN 0.685 nan 8.150 nan 0.000 0.444 32 E N -0.471 119.713 120.200 -0.027 0.000 2.106 32 E HA -0.105 4.244 4.350 -0.001 0.000 0.192 32 E C 1.864 178.459 176.600 -0.008 0.000 0.984 32 E CA 1.012 57.409 56.400 -0.005 0.000 0.806 32 E CB -0.241 29.469 29.700 0.017 0.000 0.750 32 E HN 0.700 nan 8.360 nan 0.000 0.458 33 I N 1.062 121.624 120.570 -0.014 0.000 2.179 33 I HA -0.277 3.893 4.170 -0.001 0.000 0.242 33 I C 2.452 178.520 176.117 -0.082 0.000 1.088 33 I CA 1.024 62.310 61.300 -0.024 0.000 1.357 33 I CB -0.110 37.890 38.000 0.000 0.000 1.051 33 I HN -0.029 nan 8.210 nan 0.000 0.409 34 K N 1.455 121.807 120.400 -0.079 0.000 2.057 34 K HA -0.126 4.194 4.320 -0.001 0.000 0.207 34 K C 2.027 178.576 176.600 -0.085 0.000 1.049 34 K CA 1.707 57.936 56.287 -0.097 0.000 0.931 34 K CB -0.422 32.036 32.500 -0.071 0.000 0.714 34 K HN 0.296 nan 8.250 nan 0.000 0.440 35 A N 0.399 123.187 122.820 -0.053 0.000 1.902 35 A HA -0.060 4.260 4.320 -0.001 0.000 0.217 35 A C 2.363 179.926 177.584 -0.035 0.000 1.181 35 A CA 2.046 54.062 52.037 -0.034 0.000 0.623 35 A CB -1.050 17.941 19.000 -0.016 0.000 0.818 35 A HN 0.413 nan 8.150 nan 0.000 0.443 36 A N -0.254 122.544 122.820 -0.038 0.000 1.877 36 A HA -0.104 4.215 4.320 -0.001 0.000 0.216 36 A C 2.480 180.017 177.584 -0.079 0.000 1.186 36 A CA 2.615 54.637 52.037 -0.025 0.000 0.620 36 A CB -1.436 17.574 19.000 0.017 0.000 0.822 36 A HN 0.787 nan 8.150 nan 0.000 0.443 37 T N -1.911 112.517 114.554 -0.209 0.000 2.821 37 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 37 T C 1.657 176.282 174.700 -0.124 0.000 1.046 37 T CA 1.425 63.273 62.100 -0.419 0.000 1.139 37 T CB -0.585 67.703 68.868 -0.967 0.000 0.871 37 T HN 0.366 nan 8.240 nan 0.000 0.454 38 N N 1.408 120.057 118.700 -0.085 0.000 2.104 38 N HA -0.070 4.670 4.740 -0.001 0.000 0.190 38 N C 2.072 177.600 175.510 0.030 0.000 1.024 38 N CA 1.859 54.903 53.050 -0.010 0.000 0.853 38 N CB -1.037 37.440 38.487 -0.017 0.000 1.008 38 N HN 0.507 nan 8.380 nan 0.000 0.424 39 T N 0.863 115.425 114.554 0.014 0.000 2.746 39 T HA -0.033 4.316 4.350 -0.001 0.000 0.267 39 T C 2.160 176.889 174.700 0.049 0.000 1.039 39 T CA 0.847 62.962 62.100 0.026 0.000 1.142 39 T CB -0.276 68.597 68.868 0.008 0.000 0.866 39 T HN -0.024 nan 8.240 nan 0.000 0.444 40 V N 1.474 121.411 119.914 0.039 0.000 2.307 40 V HA -0.163 3.957 4.120 -0.001 0.000 0.245 40 V C 2.497 178.752 176.094 0.267 0.000 1.045 40 V CA 1.520 63.859 62.300 0.065 0.000 1.024 40 V CB -0.490 31.304 31.823 -0.049 0.000 0.651 40 V HN 0.442 nan 8.190 nan 0.000 0.449 41 K N 0.155 120.725 120.400 0.283 0.000 2.074 41 K HA -0.185 4.135 4.320 -0.001 0.000 0.209 41 K C 2.418 179.123 176.600 0.175 0.000 1.048 41 K CA 1.912 58.347 56.287 0.248 0.000 0.926 41 K CB -0.344 32.280 32.500 0.207 0.000 0.713 41 K HN 0.415 nan 8.250 nan 0.000 0.444 42 S N 0.302 116.075 115.700 0.122 0.000 2.368 42 S HA -0.166 4.304 4.470 -0.001 0.000 0.224 42 S C 1.718 176.342 174.600 0.039 0.000 1.029 42 S CA 1.021 59.263 58.200 0.070 0.000 0.988 42 S CB -0.386 62.845 63.200 0.052 0.000 0.838 42 S HN 0.338 nan 8.310 nan 0.000 0.462 43 Y N 1.168 121.409 120.300 -0.098 0.000 2.207 43 Y HA -0.073 4.477 4.550 -0.001 0.000 0.287 43 Y C 0.667 176.333 175.900 -0.390 0.000 1.156 43 Y CA 1.247 59.183 58.100 -0.273 0.000 1.182 43 Y CB -0.159 38.059 38.460 -0.404 0.000 0.979 43 Y HN 0.179 nan 8.280 nan 0.000 0.521 44 F N 1.014 121.014 119.950 0.083 0.000 2.974 44 F HA 0.428 4.954 4.527 -0.001 0.000 0.292 44 F C 0.830 176.615 175.800 -0.025 0.000 1.209 44 F CA -0.467 57.536 58.000 0.004 0.000 1.366 44 F CB -0.864 38.159 39.000 0.038 0.000 1.033 44 F HN 0.004 nan 8.300 nan 0.000 0.516 45 A N 0.224 123.070 122.820 0.043 0.000 2.567 45 A HA 0.388 4.707 4.320 -0.001 0.000 0.240 45 A C 1.569 179.175 177.584 0.036 0.000 1.053 45 A CA 0.945 53.000 52.037 0.031 0.000 0.755 45 A CB -0.562 18.428 19.000 -0.017 0.000 0.978 45 A HN 1.136 nan 8.150 nan 0.000 0.507 46 G N 1.845 110.669 108.800 0.040 0.000 2.225 46 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.254 46 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.254 46 G C 0.278 175.199 174.900 0.035 0.000 0.988 46 G CA 0.545 45.663 45.100 0.030 0.000 0.625 46 G HN 0.799 nan 8.290 nan 0.000 0.527 47 K N 0.607 121.042 120.400 0.059 0.000 2.143 47 K HA 0.473 4.792 4.320 -0.001 0.000 0.272 47 K C -0.015 176.587 176.600 0.004 0.000 1.001 47 K CA -0.769 55.539 56.287 0.035 0.000 0.915 47 K CB 1.774 34.307 32.500 0.056 0.000 1.047 47 K HN 0.251 nan 8.250 nan 0.000 0.458 48 K N 3.682 124.067 120.400 -0.025 0.000 2.273 48 K HA 0.209 4.529 4.320 -0.001 0.000 0.287 48 K C -0.032 176.512 176.600 -0.093 0.000 1.089 48 K CA -0.248 56.016 56.287 -0.039 0.000 0.909 48 K CB -0.096 32.386 32.500 -0.030 0.000 1.123 48 K HN 0.619 nan 8.250 nan 0.000 0.473 49 I N 0.181 120.679 120.570 -0.120 0.000 2.846 49 I HA 0.610 4.780 4.170 -0.001 0.000 0.307 49 I C -0.711 175.270 176.117 -0.225 0.000 1.053 49 I CA -0.808 60.346 61.300 -0.243 0.000 1.050 49 I CB 2.290 40.047 38.000 -0.406 0.000 1.239 49 I HN 0.476 nan 8.210 nan 0.000 0.439 50 S N 2.655 118.173 115.700 -0.304 0.000 2.536 50 S HA 0.665 5.135 4.470 -0.001 0.000 0.287 50 S C -1.085 173.317 174.600 -0.330 0.000 1.101 50 S CA -0.642 57.441 58.200 -0.195 0.000 0.950 50 S CB 1.267 64.421 63.200 -0.078 0.000 1.056 50 S HN 0.499 nan 8.310 nan 0.000 0.481 51 F N 3.014 122.948 119.950 -0.027 0.000 2.411 51 F HA 0.462 4.988 4.527 -0.001 0.000 0.350 51 F C 1.759 177.554 175.800 -0.009 0.000 1.114 51 F CA -0.604 57.388 58.000 -0.014 0.000 1.135 51 F CB 1.198 40.198 39.000 0.000 0.000 1.120 51 F HN 0.840 nan 8.300 nan 0.000 0.495 52 N N 1.090 119.859 118.700 0.114 0.000 2.499 52 N HA 0.019 4.758 4.740 -0.001 0.000 0.182 52 N C -0.349 175.231 175.510 0.117 0.000 1.034 52 N CA 0.708 53.805 53.050 0.079 0.000 0.882 52 N CB 0.622 39.131 38.487 0.037 0.000 1.125 52 N HN 0.551 nan 8.380 nan 0.000 0.436 53 T N 0.642 115.245 114.554 0.082 0.000 2.993 53 T HA 0.481 4.830 4.350 -0.001 0.000 0.312 53 T C -1.324 173.386 174.700 0.016 0.000 1.115 53 T CA -0.489 61.574 62.100 -0.062 0.000 1.027 53 T CB 2.668 71.348 68.868 -0.312 0.000 1.116 53 T HN -0.140 nan 8.240 nan 0.000 0.464 54 V N 2.547 122.480 119.914 0.032 0.000 2.532 54 V HA 0.774 4.894 4.120 -0.001 0.000 0.294 54 V C -0.220 175.939 176.094 0.109 0.000 1.036 54 V CA -0.473 61.887 62.300 0.100 0.000 0.876 54 V CB 1.695 33.577 31.823 0.099 0.000 1.012 54 V HN 1.002 nan 8.190 nan 0.000 0.432 55 T N 3.965 118.608 114.554 0.149 0.000 2.843 55 T HA 0.581 4.930 4.350 -0.001 0.000 0.302 55 T C -1.266 173.570 174.700 0.226 0.000 1.232 55 T CA -0.531 61.692 62.100 0.205 0.000 1.009 55 T CB 1.601 70.604 68.868 0.225 0.000 1.254 55 T HN 0.557 nan 8.240 nan 0.000 0.504 56 L N 3.213 124.557 121.223 0.203 0.000 2.540 56 L HA 0.473 4.812 4.340 -0.001 0.000 0.276 56 L C 0.316 177.276 176.870 0.149 0.000 1.212 56 L CA 0.230 55.164 54.840 0.156 0.000 0.893 56 L CB 0.274 42.409 42.059 0.126 0.000 1.138 56 L HN 0.602 nan 8.230 nan 0.000 0.491 57 R N 4.695 125.272 120.500 0.128 0.000 2.205 57 R HA 0.266 4.606 4.340 -0.001 0.000 0.342 57 R C -0.439 175.884 176.300 0.038 0.000 1.058 57 R CA -0.078 56.068 56.100 0.078 0.000 0.904 57 R CB -0.069 30.287 30.300 0.093 0.000 1.089 57 R HN 0.731 nan 8.270 nan 0.000 0.471 58 E N 5.320 125.526 120.200 0.010 0.000 2.415 58 E HA 0.071 4.420 4.350 -0.001 0.000 0.262 58 E C -1.917 174.686 176.600 0.005 0.000 1.038 58 E CA -1.372 55.022 56.400 -0.010 0.000 0.921 58 E CB 0.230 29.904 29.700 -0.043 0.000 0.950 58 E HN 0.521 nan 8.360 nan 0.000 0.438 59 P HA -0.004 nan 4.420 nan 0.000 0.269 59 P C -0.954 176.394 177.300 0.079 0.000 1.215 59 P CA -0.123 63.004 63.100 0.046 0.000 0.780 59 P CB 0.460 32.206 31.700 0.077 0.000 0.898 60 A N 2.392 125.259 122.820 0.079 0.000 2.561 60 A HA -0.062 4.257 4.320 -0.001 0.000 0.234 60 A C 1.824 179.479 177.584 0.119 0.000 1.055 60 A CA 0.113 52.209 52.037 0.097 0.000 0.756 60 A CB -0.383 18.661 19.000 0.074 0.000 0.986 60 A HN 0.669 nan 8.150 nan 0.000 0.505 61 R N 1.454 122.007 120.500 0.089 0.000 2.094 61 R HA -0.197 4.142 4.340 -0.001 0.000 0.239 61 R C 2.114 178.371 176.300 -0.071 0.000 1.137 61 R CA 2.251 58.291 56.100 -0.099 0.000 0.943 61 R CB -0.221 29.801 30.300 -0.463 0.000 0.850 61 R HN 0.867 nan 8.270 nan 0.000 0.433 62 K N -0.318 120.054 120.400 -0.046 0.000 2.026 62 K HA -0.143 4.177 4.320 -0.001 0.000 0.208 62 K C 1.949 178.571 176.600 0.036 0.000 1.048 62 K CA 1.520 57.794 56.287 -0.022 0.000 0.929 62 K CB -0.197 32.298 32.500 -0.009 0.000 0.713 62 K HN 0.274 nan 8.250 nan 0.000 0.439 63 A N 0.391 123.252 122.820 0.068 0.000 1.908 63 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 63 A C 2.076 179.744 177.584 0.140 0.000 1.181 63 A CA 1.576 53.665 52.037 0.087 0.000 0.627 63 A CB -0.950 18.095 19.000 0.074 0.000 0.818 63 A HN 0.602 nan 8.150 nan 0.000 0.445 64 Y N 0.384 120.730 120.300 0.078 0.000 2.114 64 Y HA -0.199 4.351 4.550 -0.001 0.000 0.284 64 Y C 2.048 178.089 175.900 0.234 0.000 1.143 64 Y CA 1.984 60.181 58.100 0.162 0.000 1.135 64 Y CB -0.274 38.293 38.460 0.177 0.000 0.980 64 Y HN 0.264 nan 8.280 nan 0.000 0.499 65 I N 0.064 120.724 120.570 0.149 0.000 2.286 65 I HA -0.342 3.827 4.170 -0.001 0.000 0.248 65 I C 2.384 178.478 176.117 -0.038 0.000 1.115 65 I CA 1.536 62.861 61.300 0.042 0.000 1.392 65 I CB -0.480 37.535 38.000 0.025 0.000 1.065 65 I HN 0.358 nan 8.210 nan 0.000 0.418 66 Q N -0.405 119.394 119.800 -0.001 0.000 2.050 66 Q HA -0.278 4.061 4.340 -0.001 0.000 0.202 66 Q C 2.022 178.009 176.000 -0.021 0.000 0.980 66 Q CA 2.239 58.036 55.803 -0.010 0.000 0.840 66 Q CB -0.357 28.393 28.738 0.020 0.000 0.898 66 Q HN 0.627 nan 8.270 nan 0.000 0.424 67 W N 1.812 123.007 121.300 -0.175 0.000 2.355 67 W HA -0.193 4.466 4.660 -0.001 0.000 0.309 67 W C 2.095 178.459 176.519 -0.259 0.000 1.206 67 W CA 1.332 58.551 57.345 -0.208 0.000 1.284 67 W CB -0.039 29.276 29.460 -0.241 0.000 1.145 67 W HN -0.131 nan 8.180 nan 0.000 0.502 68 K N 0.431 120.543 120.400 -0.479 0.000 2.097 68 K HA -0.150 4.169 4.320 -0.001 0.000 0.205 68 K C 1.307 177.612 176.600 -0.492 0.000 1.050 68 K CA 1.998 57.836 56.287 -0.749 0.000 0.938 68 K CB -0.117 32.109 32.500 -0.457 0.000 0.718 68 K HN 0.368 nan 8.250 nan 0.000 0.442 69 E N -1.309 118.715 120.200 -0.294 0.000 2.508 69 E HA 0.065 4.414 4.350 -0.001 0.000 0.217 69 E C 0.523 177.033 176.600 -0.151 0.000 0.896 69 E CA -0.024 56.265 56.400 -0.186 0.000 1.118 69 E CB 0.886 30.524 29.700 -0.104 0.000 1.133 69 E HN 0.191 nan 8.360 nan 0.000 0.526 70 Q N -0.395 119.317 119.800 -0.148 0.000 2.112 70 Q HA 0.216 4.556 4.340 -0.001 0.000 0.222 70 Q C 0.349 176.289 176.000 -0.100 0.000 0.798 70 Q CA 0.201 55.945 55.803 -0.099 0.000 1.060 70 Q CB 1.780 30.480 28.738 -0.063 0.000 1.184 70 Q HN 0.281 nan 8.270 nan 0.000 0.475 71 G N 0.842 109.550 108.800 -0.153 0.000 2.225 71 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.267 71 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.267 71 G C 0.429 175.290 174.900 -0.065 0.000 1.024 71 G CA -0.003 45.019 45.100 -0.131 0.000 0.784 71 G HN 0.488 nan 8.290 nan 0.000 0.507 72 G N 0.002 108.777 108.800 -0.041 0.000 2.634 72 G HA2 0.599 4.558 3.960 -0.001 0.000 0.255 72 G HA3 0.599 4.558 3.960 -0.001 0.000 0.255 72 G C -1.187 173.792 174.900 0.132 0.000 1.205 72 G CA -0.284 44.842 45.100 0.043 0.000 0.884 72 G HN 0.341 nan 8.290 nan 0.000 0.549 73 P HA 0.155 nan 4.420 nan 0.000 0.274 73 P C -0.292 177.121 177.300 0.190 0.000 1.237 73 P CA -0.763 62.422 63.100 0.141 0.000 0.793 73 P CB 0.962 32.704 31.700 0.070 0.000 0.977 74 L N 3.901 125.201 121.223 0.129 0.000 2.513 74 L HA 0.191 4.531 4.340 -0.001 0.000 0.272 74 L C -2.034 174.751 176.870 -0.141 0.000 1.187 74 L CA -1.256 53.507 54.840 -0.128 0.000 0.895 74 L CB -1.067 40.936 42.059 -0.094 0.000 1.147 74 L HN 0.293 nan 8.230 nan 0.000 0.483 75 P HA 0.180 nan 4.420 nan 0.000 0.269 75 P C -2.515 174.729 177.300 -0.093 0.000 1.215 75 P CA -0.873 62.160 63.100 -0.111 0.000 0.780 75 P CB -0.298 31.341 31.700 -0.101 0.000 0.898 76 P HA 0.141 nan 4.420 nan 0.000 0.265 76 P C -0.324 176.961 177.300 -0.025 0.000 1.193 76 P CA -0.013 63.073 63.100 -0.024 0.000 0.765 76 P CB 0.355 32.054 31.700 -0.001 0.000 0.823 77 R N 3.441 123.929 120.500 -0.019 0.000 2.242 77 R HA 0.377 4.716 4.340 -0.001 0.000 0.334 77 R C -0.904 175.411 176.300 0.024 0.000 1.071 77 R CA 0.166 56.264 56.100 -0.005 0.000 0.922 77 R CB -0.736 29.560 30.300 -0.006 0.000 1.023 77 R HN 0.439 nan 8.270 nan 0.000 0.458 78 L N 3.083 124.330 121.223 0.040 0.000 2.362 78 L HA 0.755 5.094 4.340 -0.001 0.000 0.271 78 L C -0.424 176.507 176.870 0.102 0.000 1.002 78 L CA -1.306 53.575 54.840 0.068 0.000 0.818 78 L CB 2.232 44.331 42.059 0.066 0.000 1.298 78 L HN 0.689 nan 8.230 nan 0.000 0.420 79 A N 1.977 124.877 122.820 0.133 0.000 2.318 79 A HA 0.560 4.879 4.320 -0.001 0.000 0.324 79 A C -1.516 176.215 177.584 0.245 0.000 1.170 79 A CA -0.373 51.770 52.037 0.177 0.000 0.810 79 A CB 0.896 19.989 19.000 0.155 0.000 1.198 79 A HN 0.603 nan 8.150 nan 0.000 0.484 80 Y N 3.366 123.731 120.300 0.109 0.000 2.320 80 Y HA 0.566 5.115 4.550 -0.001 0.000 0.334 80 Y C -0.786 175.189 175.900 0.125 0.000 1.055 80 Y CA -0.753 57.383 58.100 0.059 0.000 1.143 80 Y CB 0.726 39.206 38.460 0.033 0.000 1.193 80 Y HN 0.698 nan 8.280 nan 0.000 0.477 81 Y N 3.424 123.425 120.300 -0.499 0.000 2.499 81 Y HA 0.806 5.356 4.550 -0.001 0.000 0.347 81 Y C -1.953 173.591 175.900 -0.593 0.000 0.987 81 Y CA -1.799 56.077 58.100 -0.374 0.000 1.044 81 Y CB 1.046 39.499 38.460 -0.012 0.000 1.245 81 Y HN 0.340 nan 8.280 nan 0.000 0.461 82 V N 5.128 124.929 119.914 -0.189 0.000 2.531 82 V HA 0.572 4.691 4.120 -0.001 0.000 0.301 82 V C -0.186 175.900 176.094 -0.014 0.000 1.034 82 V CA -0.770 61.454 62.300 -0.127 0.000 0.865 82 V CB 1.259 33.047 31.823 -0.059 0.000 0.995 82 V HN 0.854 nan 8.190 nan 0.000 0.424 83 I N 2.577 123.101 120.570 -0.076 0.000 2.892 83 I HA 0.711 4.880 4.170 -0.001 0.000 0.306 83 I C -1.192 174.786 176.117 -0.232 0.000 1.078 83 I CA -0.921 60.228 61.300 -0.251 0.000 1.032 83 I CB 2.247 39.958 38.000 -0.482 0.000 1.229 83 I HN 0.269 nan 8.210 nan 0.000 0.435 84 L N 2.363 123.439 121.223 -0.245 0.000 2.330 84 L HA 0.590 4.930 4.340 -0.001 0.000 0.271 84 L C -0.405 176.322 176.870 -0.237 0.000 1.013 84 L CA -0.447 54.275 54.840 -0.196 0.000 0.816 84 L CB 1.850 43.830 42.059 -0.132 0.000 1.287 84 L HN 0.800 nan 8.230 nan 0.000 0.435 85 E N 0.894 120.977 120.200 -0.195 0.000 2.210 85 E HA 0.544 4.894 4.350 -0.001 0.000 0.266 85 E C -0.751 175.783 176.600 -0.109 0.000 0.883 85 E CA -0.755 55.539 56.400 -0.177 0.000 0.761 85 E CB 2.190 31.773 29.700 -0.194 0.000 1.156 85 E HN 0.721 nan 8.360 nan 0.000 0.412 86 A N 2.736 125.504 122.820 -0.087 0.000 2.548 86 A HA 0.401 4.720 4.320 -0.001 0.000 0.247 86 A C 1.202 178.759 177.584 -0.046 0.000 1.067 86 A CA 0.928 52.931 52.037 -0.057 0.000 0.757 86 A CB -0.526 18.448 19.000 -0.043 0.000 0.996 86 A HN 1.123 nan 8.150 nan 0.000 0.504 87 G N 1.652 110.430 108.800 -0.036 0.000 2.184 87 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.264 87 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.264 87 G C 0.211 175.095 174.900 -0.026 0.000 0.975 87 G CA 0.696 45.780 45.100 -0.026 0.000 0.642 87 G HN 0.736 nan 8.290 nan 0.000 0.536 88 K N 1.154 121.530 120.400 -0.039 0.000 2.182 88 K HA 0.513 4.833 4.320 -0.001 0.000 0.262 88 K C -2.266 174.311 176.600 -0.038 0.000 0.957 88 K CA -1.749 54.515 56.287 -0.038 0.000 0.842 88 K CB 2.333 34.800 32.500 -0.056 0.000 1.099 88 K HN 0.175 nan 8.250 nan 0.000 0.438 89 P HA 0.197 nan 4.420 nan 0.000 0.278 89 P C 0.565 177.844 177.300 -0.034 0.000 1.238 89 P CA 0.217 63.305 63.100 -0.019 0.000 0.794 89 P CB 0.832 32.531 31.700 -0.002 0.000 0.955 90 G N 0.994 109.771 108.800 -0.038 0.000 2.509 90 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.259 90 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.259 90 G C -0.334 174.506 174.900 -0.100 0.000 1.169 90 G CA 0.342 45.405 45.100 -0.062 0.000 0.953 90 G HN 0.963 nan 8.290 nan 0.000 0.563 91 V N -3.540 116.296 119.914 -0.130 0.000 3.182 91 V HA 0.945 5.065 4.120 -0.001 0.000 0.308 91 V C -0.487 175.530 176.094 -0.129 0.000 1.240 91 V CA -0.678 61.527 62.300 -0.159 0.000 1.063 91 V CB 1.901 33.582 31.823 -0.237 0.000 1.076 91 V HN 1.048 nan 8.190 nan 0.000 0.446 92 K N 0.972 121.295 120.400 -0.127 0.000 2.318 92 K HA 0.709 5.028 4.320 -0.001 0.000 0.249 92 K C -1.015 175.545 176.600 -0.067 0.000 0.942 92 K CA -0.568 55.683 56.287 -0.059 0.000 0.808 92 K CB 2.415 34.887 32.500 -0.047 0.000 1.189 92 K HN 1.011 nan 8.250 nan 0.000 0.428 93 E N 0.295 120.436 120.200 -0.099 0.000 2.416 93 E HA 0.803 5.153 4.350 -0.001 0.000 0.273 93 E C -0.427 175.831 176.600 -0.569 0.000 0.935 93 E CA -1.247 54.929 56.400 -0.373 0.000 0.784 93 E CB 2.239 31.863 29.700 -0.128 0.000 1.301 93 E HN 0.644 nan 8.360 nan 0.000 0.454 94 G N 0.136 108.247 108.800 -1.149 0.000 2.341 94 G HA2 0.400 4.359 3.960 -0.001 0.000 0.299 94 G HA3 0.400 4.359 3.960 -0.001 0.000 0.299 94 G C -1.833 172.744 174.900 -0.538 0.000 1.274 94 G CA -1.004 43.684 45.100 -0.687 0.000 0.853 94 G HN 0.410 nan 8.290 nan 0.000 0.493 95 L N 0.038 121.224 121.223 -0.063 0.000 2.386 95 L HA 0.691 5.031 4.340 -0.001 0.000 0.271 95 L C -0.550 176.443 176.870 0.205 0.000 0.993 95 L CA -1.164 53.746 54.840 0.116 0.000 0.819 95 L CB 2.316 44.431 42.059 0.092 0.000 1.294 95 L HN 0.336 nan 8.230 nan 0.000 0.414 96 V N 1.470 121.517 119.914 0.221 0.000 2.398 96 V HA 0.191 4.311 4.120 -0.001 0.000 0.286 96 V C -0.199 175.949 176.094 0.090 0.000 1.026 96 V CA -0.566 61.818 62.300 0.139 0.000 0.868 96 V CB 1.788 33.689 31.823 0.130 0.000 0.982 96 V HN 0.699 nan 8.190 nan 0.000 0.443 97 D N 4.234 124.669 120.400 0.058 0.000 2.325 97 D HA 0.169 4.808 4.640 -0.001 0.000 0.251 97 D C 0.827 177.148 176.300 0.036 0.000 1.196 97 D CA -0.201 53.825 54.000 0.042 0.000 0.866 97 D CB 1.470 42.289 40.800 0.031 0.000 1.101 97 D HN 0.456 nan 8.370 nan 0.000 0.476 98 L N 3.688 124.932 121.223 0.034 0.000 2.240 98 L HA -0.067 4.273 4.340 -0.001 0.000 0.211 98 L C 2.512 179.393 176.870 0.018 0.000 1.106 98 L CA 0.694 55.550 54.840 0.027 0.000 0.793 98 L CB -0.095 41.981 42.059 0.027 0.000 0.927 98 L HN 0.478 nan 8.230 nan 0.000 0.446 99 A N -0.189 122.641 122.820 0.016 0.000 1.897 99 A HA -0.145 4.174 4.320 -0.001 0.000 0.215 99 A C 2.369 179.961 177.584 0.013 0.000 1.181 99 A CA 1.644 53.688 52.037 0.012 0.000 0.620 99 A CB -0.434 18.572 19.000 0.009 0.000 0.821 99 A HN 0.450 nan 8.150 nan 0.000 0.443 100 S N -0.997 114.712 115.700 0.016 0.000 2.575 100 S HA 0.335 4.805 4.470 -0.001 0.000 0.215 100 S C 0.559 175.170 174.600 0.019 0.000 0.966 100 S CA 0.186 58.396 58.200 0.017 0.000 0.911 100 S CB -0.639 62.572 63.200 0.018 0.000 0.780 100 S HN 0.568 nan 8.310 nan 0.000 0.514 101 L N 2.025 123.259 121.223 0.019 0.000 3.854 101 L HA -0.187 4.153 4.340 -0.001 0.000 0.460 101 L C 0.148 177.032 176.870 0.023 0.000 1.228 101 L CA 0.497 55.349 54.840 0.019 0.000 0.760 101 L CB -2.321 39.747 42.059 0.015 0.000 1.597 101 L HN 0.697 nan 8.230 nan 0.000 0.852 102 S N -2.347 113.367 115.700 0.023 0.000 2.549 102 S HA 0.751 5.221 4.470 -0.001 0.000 0.280 102 S C -0.283 174.317 174.600 0.000 0.000 1.109 102 S CA -1.032 57.181 58.200 0.022 0.000 0.905 102 S CB 2.510 65.728 63.200 0.030 0.000 1.081 102 S HN -0.011 nan 8.310 nan 0.000 0.477 103 V N 3.449 123.328 119.914 -0.058 0.000 2.479 103 V HA 0.186 4.306 4.120 -0.001 0.000 0.281 103 V C 1.203 177.236 176.094 -0.101 0.000 1.031 103 V CA 0.006 62.217 62.300 -0.149 0.000 1.038 103 V CB 0.056 31.524 31.823 -0.592 0.000 0.981 103 V HN 0.910 nan 8.190 nan 0.000 0.478 104 I N 1.029 121.582 120.570 -0.029 0.000 4.070 104 I HA 0.531 4.700 4.170 -0.001 0.000 0.328 104 I C 0.583 176.697 176.117 -0.005 0.000 1.298 104 I CA 0.299 61.595 61.300 -0.007 0.000 1.173 104 I CB 0.511 38.521 38.000 0.018 0.000 1.051 104 I HN 0.603 nan 8.210 nan 0.000 0.409 105 E N 0.693 120.885 120.200 -0.013 0.000 2.335 105 E HA 0.476 4.826 4.350 -0.001 0.000 0.280 105 E C -1.355 175.235 176.600 -0.017 0.000 0.918 105 E CA -0.468 55.931 56.400 -0.003 0.000 0.765 105 E CB 2.439 32.148 29.700 0.014 0.000 1.218 105 E HN 0.111 nan 8.360 nan 0.000 0.425 106 T N 2.805 117.363 114.554 0.006 0.000 2.942 106 T HA 0.640 4.989 4.350 -0.001 0.000 0.327 106 T C -1.968 172.782 174.700 0.082 0.000 1.360 106 T CA -0.674 61.456 62.100 0.049 0.000 1.055 106 T CB 0.919 69.832 68.868 0.075 0.000 1.261 106 T HN 0.621 nan 8.240 nan 0.000 0.485 107 R N 1.766 122.320 120.500 0.090 0.000 2.664 107 R HA 0.808 5.148 4.340 -0.001 0.000 0.266 107 R C -1.655 174.693 176.300 0.079 0.000 1.046 107 R CA -1.198 54.955 56.100 0.088 0.000 0.885 107 R CB 1.105 31.441 30.300 0.060 0.000 1.254 107 R HN 0.694 nan 8.270 nan 0.000 0.465 108 A N 2.938 125.801 122.820 0.071 0.000 2.292 108 A HA 0.624 4.943 4.320 -0.001 0.000 0.319 108 A C -0.553 177.040 177.584 0.015 0.000 1.206 108 A CA -0.869 51.191 52.037 0.038 0.000 0.835 108 A CB 0.672 19.700 19.000 0.048 0.000 1.164 108 A HN 0.602 nan 8.150 nan 0.000 0.505 109 L N 3.086 124.297 121.223 -0.019 0.000 2.384 109 L HA 0.318 4.657 4.340 -0.001 0.000 0.261 109 L C 0.697 177.544 176.870 -0.039 0.000 1.024 109 L CA -0.054 54.770 54.840 -0.027 0.000 0.899 109 L CB 1.132 43.160 42.059 -0.051 0.000 1.243 109 L HN 0.899 nan 8.230 nan 0.000 0.449 110 E N 0.383 120.576 120.200 -0.012 0.000 2.427 110 E HA -0.069 4.280 4.350 -0.001 0.000 0.196 110 E C 0.938 177.539 176.600 0.002 0.000 1.028 110 E CA 1.046 57.441 56.400 -0.009 0.000 0.864 110 E CB 0.358 30.060 29.700 0.005 0.000 0.813 110 E HN 0.668 nan 8.360 nan 0.000 0.514 111 T N -2.166 112.395 114.554 0.011 0.000 3.252 111 T HA 0.271 4.620 4.350 -0.001 0.000 0.286 111 T C 0.193 174.923 174.700 0.051 0.000 1.013 111 T CA -0.498 61.626 62.100 0.040 0.000 0.914 111 T CB -0.158 68.742 68.868 0.054 0.000 1.131 111 T HN -0.023 nan 8.240 nan 0.000 0.529 112 V N -2.064 117.856 119.914 0.010 0.000 3.113 112 V HA 0.837 4.957 4.120 -0.001 0.000 0.316 112 V C -1.425 174.663 176.094 -0.009 0.000 1.125 112 V CA -1.078 61.233 62.300 0.018 0.000 1.026 112 V CB 2.240 34.051 31.823 -0.020 0.000 1.080 112 V HN 0.151 nan 8.190 nan 0.000 0.444 113 Q N 1.758 121.579 119.800 0.034 0.000 2.375 113 Q HA 0.643 4.982 4.340 -0.001 0.000 0.271 113 Q C -2.822 173.206 176.000 0.047 0.000 1.074 113 Q CA -1.732 54.082 55.803 0.018 0.000 0.808 113 Q CB 2.795 31.567 28.738 0.056 0.000 1.327 113 Q HN 0.724 nan 8.270 nan 0.000 0.441 114 P HA 0.340 nan 4.420 nan 0.000 0.284 114 P C 0.001 177.373 177.300 0.119 0.000 1.287 114 P CA -0.816 62.365 63.100 0.135 0.000 0.824 114 P CB 1.281 33.030 31.700 0.081 0.000 1.180 115 I N 0.099 120.766 120.570 0.161 0.000 2.948 115 I HA -0.112 4.057 4.170 -0.001 0.000 0.303 115 I C -0.030 176.161 176.117 0.124 0.000 1.224 115 I CA 0.165 61.540 61.300 0.125 0.000 1.442 115 I CB 0.042 38.176 38.000 0.223 0.000 1.328 115 I HN 0.119 nan 8.210 nan 0.000 0.578 116 L N 7.793 129.076 121.223 0.099 0.000 2.261 116 L HA 0.230 4.569 4.340 -0.001 0.000 0.289 116 L C 0.650 177.601 176.870 0.135 0.000 1.059 116 L CA -0.414 54.504 54.840 0.129 0.000 0.816 116 L CB 0.720 42.891 42.059 0.188 0.000 1.191 116 L HN 0.677 nan 8.230 nan 0.000 0.431 117 T N -0.530 114.020 114.554 -0.007 0.000 2.788 117 T HA 0.192 4.541 4.350 -0.001 0.000 0.287 117 T C 1.437 176.047 174.700 -0.150 0.000 1.007 117 T CA -0.862 61.082 62.100 -0.259 0.000 1.005 117 T CB 1.393 70.009 68.868 -0.420 0.000 1.012 117 T HN 0.174 nan 8.240 nan 0.000 0.530 118 V N 1.359 121.141 119.914 -0.220 0.000 2.332 118 V HA -0.165 3.954 4.120 -0.001 0.000 0.248 118 V C 2.858 178.924 176.094 -0.047 0.000 1.055 118 V CA 2.221 64.472 62.300 -0.082 0.000 1.038 118 V CB -1.027 30.765 31.823 -0.051 0.000 0.651 118 V HN 0.944 nan 8.190 nan 0.000 0.450 119 E N -0.281 119.878 120.200 -0.069 0.000 2.077 119 E HA -0.238 4.111 4.350 -0.001 0.000 0.193 119 E C 1.996 178.588 176.600 -0.013 0.000 0.989 119 E CA 1.389 57.772 56.400 -0.029 0.000 0.800 119 E CB -0.219 29.463 29.700 -0.029 0.000 0.746 119 E HN 0.609 nan 8.360 nan 0.000 0.452 120 D N 0.549 120.936 120.400 -0.021 0.000 2.149 120 D HA -0.149 4.491 4.640 -0.001 0.000 0.198 120 D C 1.908 178.226 176.300 0.030 0.000 0.990 120 D CA 0.989 54.993 54.000 0.007 0.000 0.839 120 D CB -0.038 40.772 40.800 0.016 0.000 0.948 120 D HN 0.200 nan 8.370 nan 0.000 0.460 121 L N 0.631 121.875 121.223 0.036 0.000 2.375 121 L HA 0.003 4.342 4.340 -0.001 0.000 0.215 121 L C 2.643 179.542 176.870 0.049 0.000 1.108 121 L CA 0.240 55.115 54.840 0.058 0.000 0.830 121 L CB -0.140 41.953 42.059 0.057 0.000 0.959 121 L HN 0.188 nan 8.230 nan 0.000 0.457 122 C N -1.585 117.735 119.300 0.034 0.000 2.432 122 C HA -0.034 4.425 4.460 -0.001 0.000 0.280 122 C C 2.791 177.803 174.990 0.036 0.000 1.353 122 C CA 0.458 59.498 59.018 0.036 0.000 1.766 122 C CB -1.126 26.630 27.740 0.027 0.000 1.924 122 C HN 0.560 nan 8.230 nan 0.000 0.509 123 S N -0.222 115.497 115.700 0.031 0.000 2.548 123 S HA 0.012 4.482 4.470 -0.001 0.000 0.215 123 S C 1.349 175.966 174.600 0.028 0.000 0.976 123 S CA 0.958 59.173 58.200 0.024 0.000 0.908 123 S CB -0.902 62.308 63.200 0.017 0.000 0.781 123 S HN 0.629 nan 8.310 nan 0.000 0.519 124 T N 2.570 117.149 114.554 0.042 0.000 2.788 124 T HA -0.081 4.269 4.350 -0.001 0.000 0.268 124 T C 1.614 176.342 174.700 0.046 0.000 1.044 124 T CA 1.664 63.794 62.100 0.048 0.000 1.139 124 T CB -0.307 68.604 68.868 0.072 0.000 0.867 124 T HN 0.652 nan 8.240 nan 0.000 0.454 125 E N 0.639 120.868 120.200 0.048 0.000 2.077 125 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 125 E C 2.222 178.823 176.600 0.001 0.000 0.989 125 E CA 0.959 57.378 56.400 0.031 0.000 0.800 125 E CB 0.095 29.812 29.700 0.028 0.000 0.746 125 E HN 0.314 nan 8.360 nan 0.000 0.452 126 E N 0.050 120.249 120.200 -0.001 0.000 2.150 126 E HA -0.118 4.231 4.350 -0.001 0.000 0.193 126 E C 2.237 178.839 176.600 0.003 0.000 0.985 126 E CA 0.575 56.971 56.400 -0.008 0.000 0.814 126 E CB -0.027 29.669 29.700 -0.007 0.000 0.752 126 E HN 0.196 nan 8.360 nan 0.000 0.466 127 V N 2.225 122.146 119.914 0.011 0.000 2.287 127 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 127 V C 2.571 178.677 176.094 0.019 0.000 1.053 127 V CA 2.059 64.367 62.300 0.013 0.000 1.027 127 V CB -0.708 31.124 31.823 0.015 0.000 0.646 127 V HN 0.340 nan 8.190 nan 0.000 0.447 128 I N -1.307 119.282 120.570 0.031 0.000 2.353 128 I HA -0.158 4.011 4.170 -0.001 0.000 0.248 128 I C 2.532 178.675 176.117 0.044 0.000 1.119 128 I CA 1.540 62.870 61.300 0.049 0.000 1.417 128 I CB -0.604 37.443 38.000 0.078 0.000 1.078 128 I HN 0.037 nan 8.210 nan 0.000 0.421 129 R N 1.176 121.690 120.500 0.022 0.000 2.127 129 R HA -0.064 4.275 4.340 -0.001 0.000 0.238 129 R C 1.357 177.665 176.300 0.014 0.000 1.134 129 R CA 1.556 57.663 56.100 0.012 0.000 0.975 129 R CB -0.474 29.814 30.300 -0.019 0.000 0.865 129 R HN 0.569 nan 8.270 nan 0.000 0.447 130 N N 0.575 119.281 118.700 0.010 0.000 2.236 130 N HA -0.044 4.695 4.740 -0.001 0.000 0.196 130 N C -0.591 174.921 175.510 0.004 0.000 1.114 130 N CA 0.132 53.186 53.050 0.006 0.000 0.859 130 N CB 0.419 38.908 38.487 0.003 0.000 0.982 130 N HN 0.159 nan 8.380 nan 0.000 0.493 131 D N 1.208 121.612 120.400 0.007 0.000 2.317 131 D HA 0.145 4.785 4.640 -0.001 0.000 0.252 131 D C -1.578 174.714 176.300 -0.014 0.000 1.174 131 D CA -1.906 52.093 54.000 -0.002 0.000 0.866 131 D CB 1.834 42.636 40.800 0.003 0.000 1.127 131 D HN -0.077 nan 8.370 nan 0.000 0.467 132 P HA -0.159 nan 4.420 nan 0.000 0.216 132 P C 0.846 178.113 177.300 -0.055 0.000 1.150 132 P CA 1.243 64.324 63.100 -0.032 0.000 0.837 132 P CB 0.132 31.815 31.700 -0.029 0.000 0.786 133 A N -0.680 122.101 122.820 -0.065 0.000 1.898 133 A HA -0.136 4.183 4.320 -0.001 0.000 0.216 133 A C 2.331 179.826 177.584 -0.148 0.000 1.181 133 A CA 1.690 53.664 52.037 -0.106 0.000 0.620 133 A CB -1.657 17.280 19.000 -0.105 0.000 0.819 133 A HN 0.033 nan 8.150 nan 0.000 0.442 134 V N 0.284 120.140 119.914 -0.097 0.000 2.343 134 V HA -0.273 3.847 4.120 -0.001 0.000 0.247 134 V C 2.415 178.450 176.094 -0.098 0.000 1.051 134 V CA 2.014 64.263 62.300 -0.086 0.000 1.036 134 V CB -0.720 31.139 31.823 0.059 0.000 0.654 134 V HN 0.572 nan 8.190 nan 0.000 0.451 135 I N 0.086 120.625 120.570 -0.050 0.000 2.163 135 I HA -0.297 3.873 4.170 -0.001 0.000 0.243 135 I C 2.634 178.705 176.117 -0.076 0.000 1.085 135 I CA 2.091 63.371 61.300 -0.033 0.000 1.347 135 I CB -0.418 37.572 38.000 -0.016 0.000 1.044 135 I HN 0.438 nan 8.210 nan 0.000 0.408 136 E N 0.626 120.761 120.200 -0.109 0.000 2.085 136 E HA -0.286 4.064 4.350 -0.001 0.000 0.194 136 E C 2.180 178.665 176.600 -0.192 0.000 0.994 136 E CA 1.295 57.618 56.400 -0.128 0.000 0.801 136 E CB 0.082 29.706 29.700 -0.127 0.000 0.743 136 E HN 0.436 nan 8.360 nan 0.000 0.453 137 Q N 0.007 119.603 119.800 -0.340 0.000 2.119 137 Q HA -0.118 4.222 4.340 -0.001 0.000 0.201 137 Q C 2.411 178.195 176.000 -0.359 0.000 0.972 137 Q CA 1.133 56.595 55.803 -0.569 0.000 0.847 137 Q CB -0.621 27.318 28.738 -1.332 0.000 0.903 137 Q HN 0.448 nan 8.270 nan 0.000 0.433 138 C N -0.187 119.017 119.300 -0.161 0.000 2.432 138 C HA -0.079 4.381 4.460 -0.001 0.000 0.277 138 C C 2.867 177.860 174.990 0.005 0.000 1.249 138 C CA 0.497 59.555 59.018 0.067 0.000 1.725 138 C CB -0.999 26.810 27.740 0.115 0.000 2.028 138 C HN 0.254 nan 8.230 nan 0.000 0.477 139 V N 0.679 120.573 119.914 -0.034 0.000 2.287 139 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 139 V C 2.423 178.493 176.094 -0.040 0.000 1.053 139 V CA 1.647 63.927 62.300 -0.033 0.000 1.027 139 V CB -0.734 31.067 31.823 -0.037 0.000 0.646 139 V HN 0.390 nan 8.190 nan 0.000 0.447 140 L N 0.272 121.457 121.223 -0.063 0.000 2.127 140 L HA -0.126 4.213 4.340 -0.001 0.000 0.211 140 L C 2.341 179.194 176.870 -0.029 0.000 1.089 140 L CA 1.866 56.673 54.840 -0.056 0.000 0.757 140 L CB -1.184 40.823 42.059 -0.087 0.000 0.899 140 L HN 0.329 nan 8.230 nan 0.000 0.434 141 S N -0.848 114.848 115.700 -0.007 0.000 2.603 141 S HA 0.271 4.741 4.470 -0.001 0.000 0.220 141 S C 1.407 175.994 174.600 -0.021 0.000 0.967 141 S CA 0.624 58.839 58.200 0.025 0.000 0.920 141 S CB 0.019 63.297 63.200 0.129 0.000 0.773 141 S HN 0.639 nan 8.310 nan 0.000 0.529 142 G N 1.340 110.120 108.800 -0.034 0.000 2.134 142 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.209 142 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.209 142 G C -0.105 174.747 174.900 -0.080 0.000 0.993 142 G CA -0.417 44.649 45.100 -0.056 0.000 0.669 142 G HN 0.490 nan 8.290 nan 0.000 0.519 143 I N 1.686 122.221 120.570 -0.059 0.000 2.390 143 I HA 0.319 4.489 4.170 -0.001 0.000 0.283 143 I C -2.195 173.922 176.117 0.000 0.000 1.016 143 I CA -2.484 58.788 61.300 -0.046 0.000 1.151 143 I CB 2.027 40.008 38.000 -0.032 0.000 1.293 143 I HN -0.173 nan 8.210 nan 0.000 0.458 144 P HA -0.015 nan 4.420 nan 0.000 0.267 144 P C 0.642 177.958 177.300 0.026 0.000 1.200 144 P CA 0.065 63.174 63.100 0.015 0.000 0.772 144 P CB 0.881 32.594 31.700 0.022 0.000 0.855 145 A N 3.511 126.343 122.820 0.019 0.000 1.986 145 A HA -0.233 4.086 4.320 -0.001 0.000 0.220 145 A C 1.560 179.170 177.584 0.043 0.000 1.171 145 A CA 2.042 54.093 52.037 0.024 0.000 0.640 145 A CB -1.311 17.696 19.000 0.012 0.000 0.811 145 A HN 0.722 nan 8.150 nan 0.000 0.451 146 N N -0.433 118.298 118.700 0.051 0.000 2.515 146 N HA -0.041 4.699 4.740 -0.001 0.000 0.191 146 N C 0.319 175.906 175.510 0.128 0.000 1.182 146 N CA 0.737 53.835 53.050 0.079 0.000 0.879 146 N CB -0.033 38.492 38.487 0.064 0.000 0.984 146 N HN 0.460 nan 8.380 nan 0.000 0.453 147 E N -0.265 119.984 120.200 0.080 0.000 2.624 147 E HA 0.168 4.518 4.350 -0.001 0.000 0.210 147 E C 0.856 177.411 176.600 -0.076 0.000 0.997 147 E CA -0.216 56.182 56.400 -0.004 0.000 0.999 147 E CB 0.217 29.935 29.700 0.029 0.000 1.040 147 E HN 0.241 nan 8.360 nan 0.000 0.469 148 M N 0.852 120.467 119.600 0.026 0.000 2.358 148 M HA -0.130 4.349 4.480 -0.001 0.000 0.264 148 M C 1.995 178.277 176.300 -0.030 0.000 1.064 148 M CA 1.272 56.584 55.300 0.020 0.000 1.093 148 M CB -1.120 31.506 32.600 0.042 0.000 1.401 148 M HN 0.314 nan 8.290 nan 0.000 0.440 149 H N -0.822 118.235 119.070 -0.022 0.000 2.545 149 H HA -0.015 4.540 4.556 -0.001 0.000 0.282 149 H C 1.025 176.288 175.328 -0.108 0.000 1.020 149 H CA 0.823 56.822 56.048 -0.082 0.000 1.243 149 H CB -0.413 29.318 29.762 -0.051 0.000 1.377 149 H HN 0.364 nan 8.280 nan 0.000 0.581 150 K N 1.064 121.200 120.400 -0.440 0.000 2.444 150 K HA 0.186 4.506 4.320 -0.001 0.000 0.193 150 K C 0.059 176.664 176.600 0.009 0.000 1.024 150 K CA -0.051 56.090 56.287 -0.243 0.000 1.077 150 K CB 0.986 33.285 32.500 -0.335 0.000 0.833 150 K HN 0.029 nan 8.250 nan 0.000 0.517 151 V N 1.907 121.805 119.914 -0.025 0.000 2.439 151 V HA 0.219 4.338 4.120 -0.001 0.000 0.282 151 V C -0.686 175.353 176.094 -0.092 0.000 1.039 151 V CA -0.564 61.797 62.300 0.102 0.000 0.913 151 V CB 0.382 32.271 31.823 0.109 0.000 0.983 151 V HN 0.032 nan 8.190 nan 0.000 0.460 152 Y N 2.829 123.169 120.300 0.068 0.000 2.602 152 Y HA 0.758 5.308 4.550 -0.001 0.000 0.342 152 Y C 0.235 176.202 175.900 0.111 0.000 1.029 152 Y CA -0.869 57.271 58.100 0.067 0.000 1.080 152 Y CB 2.100 40.576 38.460 0.026 0.000 1.284 152 Y HN 0.850 nan 8.280 nan 0.000 0.485 153 C N -1.082 118.379 119.300 0.269 0.000 2.985 153 C HA 0.632 5.091 4.460 -0.001 0.000 0.314 153 C C -1.476 173.686 174.990 0.287 0.000 1.215 153 C CA -1.030 58.143 59.018 0.257 0.000 1.414 153 C CB 1.489 29.315 27.740 0.143 0.000 1.842 153 C HN 0.735 nan 8.230 nan 0.000 0.477 154 D N 4.225 124.848 120.400 0.372 0.000 2.316 154 D HA 0.432 5.071 4.640 -0.001 0.000 0.245 154 D C -2.279 174.279 176.300 0.429 0.000 1.171 154 D CA -1.064 53.179 54.000 0.405 0.000 0.856 154 D CB 1.536 42.683 40.800 0.578 0.000 1.090 154 D HN 0.523 nan 8.370 nan 0.000 0.476 155 P HA 0.183 nan 4.420 nan 0.000 0.286 155 P C -0.785 176.743 177.300 0.380 0.000 1.321 155 P CA -0.507 62.765 63.100 0.288 0.000 0.790 155 P CB 0.271 32.075 31.700 0.172 0.000 0.897 156 W N 1.273 122.651 121.300 0.129 0.000 2.639 156 W HA 0.375 5.035 4.660 -0.001 0.000 0.347 156 W C 0.943 177.586 176.519 0.207 0.000 1.067 156 W CA -0.474 56.999 57.345 0.213 0.000 1.218 156 W CB 0.948 30.498 29.460 0.149 0.000 1.393 156 W HN 0.171 nan 8.180 nan 0.000 0.557 157 T N 2.548 117.385 114.554 0.473 0.000 2.939 157 T HA -0.115 4.234 4.350 -0.001 0.000 0.312 157 T C 1.221 176.056 174.700 0.225 0.000 1.064 157 T CA 0.268 62.498 62.100 0.217 0.000 1.136 157 T CB 0.203 69.064 68.868 -0.011 0.000 1.035 157 T HN 0.489 nan 8.240 nan 0.000 0.538 158 I N 3.651 124.298 120.570 0.128 0.000 2.700 158 I HA 0.042 4.211 4.170 -0.001 0.000 0.261 158 I C 1.769 177.923 176.117 0.062 0.000 1.219 158 I CA 1.575 62.925 61.300 0.084 0.000 1.463 158 I CB -0.716 37.313 38.000 0.049 0.000 1.092 158 I HN 1.111 nan 8.210 nan 0.000 0.452 159 G N 0.344 109.177 108.800 0.056 0.000 4.886 159 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.305 159 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.305 159 G C -0.025 174.977 174.900 0.171 0.000 1.483 159 G CA 0.497 45.586 45.100 -0.019 0.000 1.029 159 G HN 0.434 nan 8.290 nan 0.000 0.746 160 Y N 1.944 122.275 120.300 0.053 0.000 2.390 160 Y HA 0.586 5.135 4.550 -0.001 0.000 0.324 160 Y C -2.138 173.815 175.900 0.090 0.000 1.151 160 Y CA -0.672 57.482 58.100 0.089 0.000 1.053 160 Y CB 2.094 40.605 38.460 0.085 0.000 1.277 160 Y HN 0.467 nan 8.280 nan 0.000 0.432 161 D N 5.448 125.473 120.400 -0.625 0.000 2.620 161 D HA 0.131 4.770 4.640 -0.001 0.000 0.252 161 D C 0.544 176.400 176.300 -0.741 0.000 1.207 161 D CA -0.249 53.474 54.000 -0.462 0.000 0.884 161 D CB 1.498 42.303 40.800 0.008 0.000 1.262 161 D HN 0.839 nan 8.370 nan 0.000 0.552 162 E N 3.724 123.524 120.200 -0.666 0.000 2.463 162 E HA -0.167 4.183 4.350 -0.001 0.000 0.201 162 E C 0.820 177.200 176.600 -0.368 0.000 1.045 162 E CA 0.533 56.678 56.400 -0.425 0.000 0.872 162 E CB 0.013 29.639 29.700 -0.124 0.000 0.797 162 E HN 0.468 nan 8.360 nan 0.000 0.538 163 R N -0.622 119.560 120.500 -0.530 0.000 2.148 163 R HA 0.025 4.364 4.340 -0.001 0.000 0.223 163 R C 1.352 177.068 176.300 -0.973 0.000 1.088 163 R CA 1.348 56.904 56.100 -0.907 0.000 0.985 163 R CB 0.037 29.430 30.300 -1.512 0.000 0.880 163 R HN 0.336 nan 8.270 nan 0.000 0.451 164 W N -0.673 120.522 121.300 -0.174 0.000 2.661 164 W HA 0.324 4.983 4.660 -0.001 0.000 0.288 164 W C 1.031 177.508 176.519 -0.070 0.000 1.014 164 W CA 0.420 57.700 57.345 -0.109 0.000 1.396 164 W CB -0.046 29.358 29.460 -0.093 0.000 0.963 164 W HN 0.218 nan 8.180 nan 0.000 0.584 165 G N 2.194 111.028 108.800 0.057 0.000 2.634 165 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.309 165 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.309 165 G C 0.808 175.833 174.900 0.208 0.000 1.265 165 G CA 2.263 47.462 45.100 0.164 0.000 0.998 165 G HN 0.150 nan 8.290 nan 0.000 0.551 166 T N -1.631 113.044 114.554 0.201 0.000 3.145 166 T HA 0.487 4.837 4.350 -0.001 0.000 0.255 166 T C 2.079 176.848 174.700 0.115 0.000 1.039 166 T CA 1.051 63.248 62.100 0.161 0.000 0.928 166 T CB 0.641 69.603 68.868 0.156 0.000 1.029 166 T HN 1.548 nan 8.240 nan 0.000 0.554 167 G N 1.578 110.455 108.800 0.129 0.000 2.443 167 G HA2 0.059 4.018 3.960 -0.001 0.000 0.219 167 G HA3 0.059 4.018 3.960 -0.001 0.000 0.219 167 G C 0.488 175.436 174.900 0.081 0.000 1.131 167 G CA 0.130 45.294 45.100 0.105 0.000 0.775 167 G HN 0.484 nan 8.290 nan 0.000 0.547 168 K N -0.583 119.861 120.400 0.074 0.000 2.385 168 K HA 0.425 4.744 4.320 -0.001 0.000 0.248 168 K C -0.856 175.742 176.600 -0.004 0.000 0.955 168 K CA -0.929 55.360 56.287 0.004 0.000 0.816 168 K CB 2.405 34.860 32.500 -0.075 0.000 1.250 168 K HN -0.050 nan 8.250 nan 0.000 0.434 169 R N 2.984 123.471 120.500 -0.021 0.000 2.216 169 R HA 0.328 4.667 4.340 -0.001 0.000 0.332 169 R C -0.995 175.283 176.300 -0.038 0.000 1.056 169 R CA -0.151 55.942 56.100 -0.012 0.000 0.901 169 R CB 0.200 30.495 30.300 -0.010 0.000 1.039 169 R HN 0.480 nan 8.270 nan 0.000 0.456 170 L N 3.698 124.904 121.223 -0.028 0.000 2.370 170 L HA 0.460 4.800 4.340 -0.001 0.000 0.266 170 L C -0.403 176.467 176.870 0.001 0.000 1.002 170 L CA -0.963 53.840 54.840 -0.062 0.000 0.818 170 L CB 2.435 44.416 42.059 -0.131 0.000 1.325 170 L HN 0.591 nan 8.230 nan 0.000 0.418 171 Q N 1.539 121.342 119.800 0.006 0.000 2.351 171 Q HA 0.444 4.783 4.340 -0.001 0.000 0.273 171 Q C -1.316 174.716 176.000 0.054 0.000 1.077 171 Q CA -0.850 54.996 55.803 0.072 0.000 0.843 171 Q CB 2.957 31.755 28.738 0.100 0.000 1.367 171 Q HN 0.523 nan 8.270 nan 0.000 0.449 172 Q N -0.103 119.759 119.800 0.103 0.000 2.309 172 Q HA 0.781 5.120 4.340 -0.001 0.000 0.264 172 Q C -1.398 174.651 176.000 0.082 0.000 1.008 172 Q CA -1.012 54.825 55.803 0.057 0.000 0.853 172 Q CB 1.769 30.507 28.738 0.000 0.000 1.314 172 Q HN 0.543 nan 8.270 nan 0.000 0.448 173 A N 4.449 127.294 122.820 0.041 0.000 2.256 173 A HA 0.456 4.775 4.320 -0.001 0.000 0.317 173 A C -0.423 177.135 177.584 -0.043 0.000 1.318 173 A CA -0.822 51.246 52.037 0.052 0.000 0.894 173 A CB 0.362 19.401 19.000 0.064 0.000 1.165 173 A HN 0.798 nan 8.150 nan 0.000 0.525 174 L N 3.940 125.132 121.223 -0.052 0.000 2.283 174 L HA 0.280 4.619 4.340 -0.001 0.000 0.287 174 L C -0.412 176.363 176.870 -0.157 0.000 1.073 174 L CA -0.495 54.243 54.840 -0.170 0.000 0.822 174 L CB 0.864 42.808 42.059 -0.192 0.000 1.186 174 L HN 0.394 nan 8.230 nan 0.000 0.436 175 V N 4.277 123.951 119.914 -0.399 0.000 2.509 175 V HA 0.390 4.509 4.120 -0.001 0.000 0.284 175 V C -0.451 175.292 176.094 -0.585 0.000 1.047 175 V CA -0.327 61.759 62.300 -0.356 0.000 0.952 175 V CB 1.209 32.736 31.823 -0.494 0.000 0.988 175 V HN 0.446 nan 8.190 nan 0.000 0.469 176 Y N 2.601 122.904 120.300 0.005 0.000 2.669 176 Y HA 0.642 5.192 4.550 -0.001 0.000 0.335 176 Y C -0.844 175.180 175.900 0.207 0.000 1.116 176 Y CA -0.976 57.157 58.100 0.054 0.000 1.081 176 Y CB 1.996 40.411 38.460 -0.075 0.000 1.297 176 Y HN 0.588 nan 8.280 nan 0.000 0.484 177 Y N 0.883 121.355 120.300 0.287 0.000 2.442 177 Y HA 0.699 5.248 4.550 -0.001 0.000 0.344 177 Y C -1.326 174.723 175.900 0.248 0.000 0.976 177 Y CA -1.297 56.952 58.100 0.249 0.000 1.040 177 Y CB 1.478 40.059 38.460 0.203 0.000 1.228 177 Y HN 0.557 nan 8.280 nan 0.000 0.451 178 R N 3.625 123.756 120.500 -0.615 0.000 2.480 178 R HA 0.359 4.699 4.340 -0.001 0.000 0.306 178 R C 0.285 175.946 176.300 -1.066 0.000 0.958 178 R CA -0.568 55.060 56.100 -0.787 0.000 0.861 178 R CB 1.981 31.901 30.300 -0.633 0.000 1.171 178 R HN 0.827 nan 8.270 nan 0.000 0.445 179 S N 0.883 115.974 115.700 -1.014 0.000 2.406 179 S HA -0.105 4.365 4.470 -0.001 0.000 0.228 179 S C 0.291 174.680 174.600 -0.352 0.000 1.020 179 S CA 1.031 58.923 58.200 -0.513 0.000 0.965 179 S CB -0.041 63.019 63.200 -0.233 0.000 0.798 179 S HN 0.650 nan 8.310 nan 0.000 0.488 180 D N -0.542 119.610 120.400 -0.413 0.000 2.819 180 D HA 0.208 4.847 4.640 -0.001 0.000 0.232 180 D C 0.704 176.844 176.300 -0.267 0.000 1.160 180 D CA -0.548 53.304 54.000 -0.245 0.000 0.858 180 D CB 1.188 41.877 40.800 -0.186 0.000 1.610 180 D HN 0.075 nan 8.370 nan 0.000 0.481 181 E N 1.450 121.561 120.200 -0.150 0.000 2.209 181 E HA -0.232 4.117 4.350 -0.001 0.000 0.196 181 E C 0.164 176.636 176.600 -0.214 0.000 0.993 181 E CA 1.057 57.377 56.400 -0.132 0.000 0.819 181 E CB -0.003 29.681 29.700 -0.025 0.000 0.745 181 E HN 0.388 nan 8.360 nan 0.000 0.477 182 D N 1.252 121.530 120.400 -0.204 0.000 2.349 182 D HA 0.026 4.665 4.640 -0.001 0.000 0.224 182 D C -0.272 175.882 176.300 -0.242 0.000 1.029 182 D CA 0.279 54.147 54.000 -0.219 0.000 0.879 182 D CB -0.163 40.522 40.800 -0.191 0.000 0.906 182 D HN 0.148 nan 8.370 nan 0.000 0.528 183 D N 0.176 120.367 120.400 -0.349 0.000 2.400 183 D HA -0.018 4.621 4.640 -0.001 0.000 0.238 183 D C 0.198 176.263 176.300 -0.392 0.000 1.157 183 D CA 0.305 54.027 54.000 -0.463 0.000 0.889 183 D CB 0.793 41.168 40.800 -0.707 0.000 1.199 183 D HN -0.202 nan 8.370 nan 0.000 0.436 184 S N 0.532 116.014 115.700 -0.362 0.000 2.448 184 S HA 0.014 4.483 4.470 -0.001 0.000 0.279 184 S C 1.236 175.796 174.600 -0.067 0.000 1.195 184 S CA -0.602 57.489 58.200 -0.182 0.000 1.051 184 S CB 0.427 63.556 63.200 -0.118 0.000 0.948 184 S HN 0.383 nan 8.310 nan 0.000 0.493 185 Q N 4.267 123.917 119.800 -0.251 0.000 2.436 185 Q HA -0.117 4.223 4.340 -0.001 0.000 0.209 185 Q C 0.281 176.169 176.000 -0.186 0.000 0.965 185 Q CA 1.366 57.010 55.803 -0.266 0.000 0.910 185 Q CB -0.384 28.027 28.738 -0.545 0.000 0.980 185 Q HN 0.899 nan 8.270 nan 0.000 0.491 186 Y N 1.780 122.074 120.300 -0.009 0.000 2.561 186 Y HA -0.030 4.519 4.550 -0.001 0.000 0.291 186 Y C 2.547 178.671 175.900 0.374 0.000 1.141 186 Y CA 0.998 59.135 58.100 0.062 0.000 1.303 186 Y CB 0.194 38.682 38.460 0.046 0.000 1.015 186 Y HN 0.336 nan 8.280 nan 0.000 0.547 187 S N -1.506 114.474 115.700 0.467 0.000 2.522 187 S HA -0.094 4.375 4.470 -0.001 0.000 0.227 187 S C 0.213 174.884 174.600 0.119 0.000 0.986 187 S CA 0.679 59.101 58.200 0.371 0.000 0.929 187 S CB -0.439 62.888 63.200 0.210 0.000 0.769 187 S HN 0.464 nan 8.310 nan 0.000 0.529 188 H N 1.879 121.039 119.070 0.149 0.000 2.535 188 H HA 0.436 4.992 4.556 -0.001 0.000 0.232 188 H C -2.858 172.596 175.328 0.210 0.000 1.405 188 H CA -1.911 54.217 56.048 0.134 0.000 1.224 188 H CB 0.589 30.418 29.762 0.111 0.000 1.763 188 H HN 0.338 nan 8.280 nan 0.000 0.529 189 P HA 0.033 nan 4.420 nan 0.000 0.272 189 P C 0.083 177.224 177.300 -0.265 0.000 1.223 189 P CA -0.059 62.912 63.100 -0.215 0.000 0.784 189 P CB 1.727 33.271 31.700 -0.260 0.000 0.923 190 L N 1.876 122.870 121.223 -0.382 0.000 2.416 190 L HA 0.244 4.584 4.340 -0.001 0.000 0.263 190 L C 1.725 178.372 176.870 -0.371 0.000 1.065 190 L CA -0.430 54.206 54.840 -0.341 0.000 0.798 190 L CB 0.533 42.337 42.059 -0.423 0.000 1.267 190 L HN 0.373 nan 8.230 nan 0.000 0.467 191 D N -0.751 119.546 120.400 -0.172 0.000 2.348 191 D HA -0.019 4.620 4.640 -0.001 0.000 0.211 191 D C 0.065 176.515 176.300 0.249 0.000 0.998 191 D CA 0.223 54.233 54.000 0.018 0.000 0.873 191 D CB -0.029 40.817 40.800 0.077 0.000 0.925 191 D HN 0.242 nan 8.370 nan 0.000 0.524 192 F N -0.902 119.106 119.950 0.097 0.000 2.575 192 F HA 0.643 5.170 4.527 -0.001 0.000 0.330 192 F C -0.716 175.111 175.800 0.045 0.000 1.056 192 F CA -2.053 55.991 58.000 0.074 0.000 0.964 192 F CB 1.395 40.411 39.000 0.027 0.000 1.258 192 F HN -0.134 nan 8.300 nan 0.000 0.484 193 C N 3.715 123.148 119.300 0.222 0.000 2.547 193 C HA 0.600 5.060 4.460 -0.001 0.000 0.327 193 C C -2.844 172.250 174.990 0.173 0.000 1.076 193 C CA -2.003 57.061 59.018 0.077 0.000 1.390 193 C CB 0.144 27.874 27.740 -0.015 0.000 1.918 193 C HN 0.664 nan 8.230 nan 0.000 0.438 194 P HA 0.320 nan 4.420 nan 0.000 0.275 194 P C -0.648 176.707 177.300 0.092 0.000 1.227 194 P CA -0.024 63.168 63.100 0.153 0.000 0.781 194 P CB 0.447 32.238 31.700 0.152 0.000 0.906 195 I N 3.179 123.797 120.570 0.080 0.000 2.354 195 I HA 0.300 4.469 4.170 -0.001 0.000 0.292 195 I C -0.147 175.928 176.117 -0.070 0.000 0.989 195 I CA -0.700 60.589 61.300 -0.019 0.000 1.188 195 I CB 1.412 39.348 38.000 -0.106 0.000 1.342 195 I HN 0.037 nan 8.210 nan 0.000 0.457 196 V N 4.904 124.772 119.914 -0.076 0.000 2.487 196 V HA 0.257 4.377 4.120 -0.001 0.000 0.298 196 V C -0.030 176.005 176.094 -0.097 0.000 1.028 196 V CA -0.820 61.443 62.300 -0.061 0.000 0.860 196 V CB 2.220 34.039 31.823 -0.006 0.000 0.991 196 V HN 0.635 nan 8.190 nan 0.000 0.427 197 D N 3.288 123.623 120.400 -0.108 0.000 2.346 197 D HA 0.082 4.722 4.640 -0.001 0.000 0.260 197 D C 1.239 177.509 176.300 -0.051 0.000 1.252 197 D CA 0.259 54.199 54.000 -0.101 0.000 0.895 197 D CB 1.742 42.482 40.800 -0.100 0.000 1.097 197 D HN 0.620 nan 8.370 nan 0.000 0.489 198 T N 3.524 118.056 114.554 -0.037 0.000 2.720 198 T HA -0.146 4.203 4.350 -0.001 0.000 0.268 198 T C 1.389 176.080 174.700 -0.014 0.000 1.037 198 T CA 1.004 63.097 62.100 -0.012 0.000 1.144 198 T CB 0.201 69.069 68.868 0.000 0.000 0.864 198 T HN 0.454 nan 8.240 nan 0.000 0.444 199 E N 0.793 120.980 120.200 -0.022 0.000 2.170 199 E HA 0.020 4.370 4.350 -0.001 0.000 0.191 199 E C 2.183 178.771 176.600 -0.021 0.000 0.981 199 E CA 0.555 56.942 56.400 -0.022 0.000 0.830 199 E CB -0.098 29.586 29.700 -0.027 0.000 0.775 199 E HN 0.441 nan 8.360 nan 0.000 0.470 200 E N 0.833 121.018 120.200 -0.024 0.000 2.435 200 E HA -0.009 4.341 4.350 -0.001 0.000 0.195 200 E C -0.043 176.547 176.600 -0.017 0.000 1.029 200 E CA 0.048 56.435 56.400 -0.021 0.000 0.865 200 E CB 0.140 29.824 29.700 -0.026 0.000 0.833 200 E HN 0.151 nan 8.360 nan 0.000 0.510 201 K N 1.156 121.546 120.400 -0.016 0.000 3.278 201 K HA -0.224 4.095 4.320 -0.001 0.000 0.270 201 K C -0.100 176.494 176.600 -0.010 0.000 0.955 201 K CA 0.814 57.095 56.287 -0.009 0.000 0.723 201 K CB -1.697 30.801 32.500 -0.004 0.000 1.382 201 K HN 0.311 nan 8.250 nan 0.000 0.461 202 K N -2.292 118.097 120.400 -0.018 0.000 2.508 202 K HA 0.497 4.816 4.320 -0.001 0.000 0.260 202 K C -0.364 176.222 176.600 -0.024 0.000 0.949 202 K CA -1.143 55.134 56.287 -0.016 0.000 0.834 202 K CB 1.812 34.303 32.500 -0.015 0.000 1.365 202 K HN -0.114 nan 8.250 nan 0.000 0.437 203 V N 3.799 123.706 119.914 -0.012 0.000 2.470 203 V HA 0.076 4.196 4.120 -0.001 0.000 0.276 203 V C 1.207 177.294 176.094 -0.012 0.000 1.040 203 V CA -0.161 62.133 62.300 -0.010 0.000 1.008 203 V CB 0.321 32.148 31.823 0.006 0.000 0.990 203 V HN 0.865 nan 8.190 nan 0.000 0.477 204 I N 1.659 122.213 120.570 -0.026 0.000 3.854 204 I HA 0.519 4.689 4.170 -0.001 0.000 0.312 204 I C 0.174 176.395 176.117 0.174 0.000 1.273 204 I CA 0.530 61.834 61.300 0.007 0.000 1.298 204 I CB 0.432 38.357 38.000 -0.124 0.000 1.071 204 I HN 0.458 nan 8.210 nan 0.000 0.428 205 F N 1.056 120.986 119.950 -0.034 0.000 2.725 205 F HA 0.620 5.146 4.527 -0.001 0.000 0.309 205 F C -1.840 174.001 175.800 0.069 0.000 1.132 205 F CA -0.919 57.124 58.000 0.071 0.000 0.957 205 F CB 1.871 41.002 39.000 0.219 0.000 1.286 205 F HN -0.249 nan 8.300 nan 0.000 0.440 206 I N 3.703 124.082 120.570 -0.318 0.000 2.447 206 I HA 0.280 4.449 4.170 -0.001 0.000 0.287 206 I C -1.299 174.806 176.117 -0.019 0.000 1.023 206 I CA -0.846 60.418 61.300 -0.060 0.000 1.083 206 I CB 1.689 39.632 38.000 -0.095 0.000 1.245 206 I HN 0.352 nan 8.210 nan 0.000 0.434 207 D N 7.711 128.291 120.400 0.301 0.000 2.339 207 D HA 0.376 5.015 4.640 -0.001 0.000 0.256 207 D C -0.217 176.227 176.300 0.241 0.000 1.214 207 D CA 0.432 54.651 54.000 0.364 0.000 0.877 207 D CB 1.410 42.449 40.800 0.399 0.000 1.111 207 D HN 0.312 nan 8.370 nan 0.000 0.478 208 I N 4.699 125.373 120.570 0.175 0.000 2.406 208 I HA 0.223 4.393 4.170 -0.001 0.000 0.290 208 I C -1.906 174.295 176.117 0.140 0.000 0.999 208 I CA -1.898 59.487 61.300 0.141 0.000 1.124 208 I CB 2.015 40.033 38.000 0.030 0.000 1.289 208 I HN 0.095 nan 8.210 nan 0.000 0.441 209 P HA 0.232 nan 4.420 nan 0.000 0.274 209 P C -0.170 177.189 177.300 0.098 0.000 1.237 209 P CA -0.370 62.817 63.100 0.145 0.000 0.793 209 P CB 0.952 32.771 31.700 0.198 0.000 0.977 210 N N 0.404 119.151 118.700 0.077 0.000 2.188 210 N HA -0.105 4.635 4.740 -0.001 0.000 0.184 210 N C 0.965 176.507 175.510 0.055 0.000 1.018 210 N CA 0.989 54.069 53.050 0.050 0.000 0.858 210 N CB -0.140 38.369 38.487 0.036 0.000 0.989 210 N HN 0.457 nan 8.380 nan 0.000 0.426 211 R N 1.906 122.452 120.500 0.076 0.000 2.198 211 R HA 0.131 4.471 4.340 -0.001 0.000 0.339 211 R C -0.637 175.712 176.300 0.082 0.000 1.020 211 R CA -0.558 55.586 56.100 0.073 0.000 0.864 211 R CB 0.458 30.808 30.300 0.085 0.000 1.105 211 R HN -0.126 nan 8.270 nan 0.000 0.463 212 R N 3.359 123.893 120.500 0.058 0.000 2.490 212 R HA 0.207 4.547 4.340 -0.001 0.000 0.280 212 R C -0.386 175.937 176.300 0.038 0.000 1.077 212 R CA -0.439 55.695 56.100 0.056 0.000 1.065 212 R CB 0.650 30.971 30.300 0.035 0.000 1.003 212 R HN 0.518 nan 8.270 nan 0.000 0.470 213 R N 1.587 122.104 120.500 0.029 0.000 2.473 213 R HA 0.286 4.625 4.340 -0.001 0.000 0.303 213 R C -0.323 175.964 176.300 -0.022 0.000 1.002 213 R CA -0.441 55.652 56.100 -0.012 0.000 0.884 213 R CB 1.656 31.923 30.300 -0.055 0.000 1.173 213 R HN 0.368 nan 8.270 nan 0.000 0.464 214 K N 0.921 121.307 120.400 -0.023 0.000 2.219 214 K HA 0.183 4.502 4.320 -0.001 0.000 0.258 214 K C 0.133 176.699 176.600 -0.056 0.000 1.008 214 K CA -0.585 55.684 56.287 -0.029 0.000 0.928 214 K CB 1.061 33.542 32.500 -0.032 0.000 0.983 214 K HN 0.200 nan 8.250 nan 0.000 0.484 215 V N 1.945 121.818 119.914 -0.069 0.000 2.814 215 V HA -0.101 4.018 4.120 -0.001 0.000 0.307 215 V C 0.357 176.412 176.094 -0.065 0.000 1.089 215 V CA 0.514 62.762 62.300 -0.087 0.000 1.212 215 V CB 1.217 32.927 31.823 -0.188 0.000 0.912 215 V HN 0.857 nan 8.190 nan 0.000 0.497 216 S N 5.072 120.736 115.700 -0.059 0.000 2.552 216 S HA 0.104 4.573 4.470 -0.001 0.000 0.289 216 S C 0.861 175.494 174.600 0.054 0.000 1.304 216 S CA 0.127 58.290 58.200 -0.061 0.000 1.063 216 S CB 0.332 63.362 63.200 -0.284 0.000 0.848 216 S HN 0.838 nan 8.310 nan 0.000 0.499 217 K N 2.770 123.137 120.400 -0.055 0.000 2.374 217 K HA 0.111 4.430 4.320 -0.001 0.000 0.196 217 K C 0.261 176.838 176.600 -0.038 0.000 1.023 217 K CA -0.102 56.154 56.287 -0.051 0.000 1.103 217 K CB 0.056 32.474 32.500 -0.136 0.000 0.848 217 K HN 0.675 nan 8.250 nan 0.000 0.528 218 H N 1.682 120.851 119.070 0.165 0.000 2.603 218 H HA 0.135 4.691 4.556 -0.001 0.000 0.370 218 H C 0.264 175.805 175.328 0.356 0.000 1.225 218 H CA 0.115 56.276 56.048 0.187 0.000 1.410 218 H CB 0.703 30.512 29.762 0.078 0.000 1.495 218 H HN -0.118 nan 8.280 nan 0.000 0.602 219 K N 1.181 121.842 120.400 0.436 0.000 2.469 219 K HA -0.021 4.298 4.320 -0.001 0.000 0.274 219 K C -0.140 176.755 176.600 0.493 0.000 0.983 219 K CA 0.096 56.617 56.287 0.389 0.000 0.974 219 K CB 0.196 32.876 32.500 0.300 0.000 0.913 219 K HN 0.465 nan 8.250 nan 0.000 0.493 220 H N 0.048 119.246 119.070 0.213 0.000 2.871 220 H HA 0.079 4.634 4.556 -0.001 0.000 0.355 220 H C -0.127 175.187 175.328 -0.022 0.000 1.092 220 H CA 0.334 56.451 56.048 0.115 0.000 1.420 220 H CB 0.672 30.349 29.762 -0.141 0.000 1.400 220 H HN 0.628 nan 8.280 nan 0.000 0.604 221 A N 4.165 126.898 122.820 -0.145 0.000 2.506 221 A HA 0.241 4.561 4.320 -0.001 0.000 0.320 221 A C -0.101 177.317 177.584 -0.276 0.000 1.424 221 A CA -0.687 51.135 52.037 -0.358 0.000 1.044 221 A CB -0.415 18.103 19.000 -0.804 0.000 1.140 221 A HN 0.661 nan 8.150 nan 0.000 0.538 222 N N 0.840 119.391 118.700 -0.249 0.000 2.483 222 N HA 0.678 5.418 4.740 -0.001 0.000 0.285 222 N C -0.194 175.219 175.510 -0.162 0.000 1.210 222 N CA -0.438 52.344 53.050 -0.447 0.000 0.931 222 N CB 1.268 39.165 38.487 -0.983 0.000 1.220 222 N HN 0.582 nan 8.380 nan 0.000 0.542 223 F N -2.375 117.565 119.950 -0.016 0.000 2.974 223 F HA 0.445 4.971 4.527 -0.001 0.000 0.357 223 F C -0.472 175.366 175.800 0.063 0.000 1.114 223 F CA -0.769 57.231 58.000 -0.000 0.000 1.099 223 F CB -0.611 38.306 39.000 -0.139 0.000 1.205 223 F HN 0.188 nan 8.300 nan 0.000 0.535 224 Y N 2.665 123.131 120.300 0.277 0.000 2.314 224 Y HA 0.351 4.901 4.550 -0.001 0.000 0.334 224 Y C -1.043 174.897 175.900 0.067 0.000 1.266 224 Y CA -1.571 56.629 58.100 0.166 0.000 1.391 224 Y CB 0.222 38.670 38.460 -0.020 0.000 1.306 224 Y HN -0.228 nan 8.280 nan 0.000 0.558 225 P HA -0.282 nan 4.420 nan 0.000 0.216 225 P C 1.092 178.408 177.300 0.028 0.000 1.157 225 P CA 2.760 65.908 63.100 0.081 0.000 0.880 225 P CB 0.115 31.853 31.700 0.064 0.000 0.791 226 K N -0.941 119.423 120.400 -0.059 0.000 2.103 226 K HA -0.221 4.099 4.320 -0.001 0.000 0.207 226 K C 1.783 178.329 176.600 -0.091 0.000 1.048 226 K CA 1.793 58.004 56.287 -0.128 0.000 0.930 226 K CB -1.290 31.070 32.500 -0.232 0.000 0.716 226 K HN 0.266 nan 8.250 nan 0.000 0.444 227 H N 0.047 119.140 119.070 0.039 0.000 2.357 227 H HA 0.035 4.590 4.556 -0.001 0.000 0.301 227 H C 2.159 177.512 175.328 0.041 0.000 1.082 227 H CA 1.496 57.559 56.048 0.026 0.000 1.342 227 H CB 0.031 29.797 29.762 0.007 0.000 1.389 227 H HN 0.093 nan 8.280 nan 0.000 0.511 228 M N 0.171 119.873 119.600 0.170 0.000 2.175 228 M HA -0.096 4.384 4.480 -0.001 0.000 0.264 228 M C 2.317 178.666 176.300 0.082 0.000 1.063 228 M CA 1.200 56.570 55.300 0.117 0.000 1.119 228 M CB -0.655 32.005 32.600 0.100 0.000 1.377 228 M HN 0.306 nan 8.290 nan 0.000 0.415 229 I N 0.197 120.804 120.570 0.062 0.000 2.163 229 I HA -0.309 3.860 4.170 -0.001 0.000 0.243 229 I C 2.303 178.450 176.117 0.050 0.000 1.085 229 I CA 1.385 62.711 61.300 0.044 0.000 1.347 229 I CB -0.406 37.609 38.000 0.025 0.000 1.044 229 I HN 0.381 nan 8.210 nan 0.000 0.408 230 E N 0.508 120.745 120.200 0.061 0.000 2.110 230 E HA -0.276 4.074 4.350 -0.001 0.000 0.193 230 E C 2.135 178.780 176.600 0.075 0.000 0.988 230 E CA 1.206 57.646 56.400 0.067 0.000 0.804 230 E CB -0.053 29.696 29.700 0.082 0.000 0.745 230 E HN 0.415 nan 8.360 nan 0.000 0.458 231 K N 0.798 121.250 120.400 0.088 0.000 2.067 231 K HA -0.070 4.250 4.320 -0.001 0.000 0.203 231 K C 1.903 178.549 176.600 0.076 0.000 1.048 231 K CA 1.255 57.596 56.287 0.091 0.000 0.954 231 K CB 0.431 32.994 32.500 0.105 0.000 0.737 231 K HN 0.120 nan 8.250 nan 0.000 0.444 232 V N -3.775 116.180 119.914 0.068 0.000 3.528 232 V HA 0.485 4.605 4.120 -0.001 0.000 0.294 232 V C 0.813 176.935 176.094 0.045 0.000 1.404 232 V CA 0.424 62.758 62.300 0.056 0.000 1.065 232 V CB 0.361 32.216 31.823 0.054 0.000 0.904 232 V HN 0.478 nan 8.190 nan 0.000 0.435 233 G N 0.043 108.870 108.800 0.045 0.000 2.345 233 G HA2 0.186 4.146 3.960 -0.001 0.000 0.218 233 G HA3 0.186 4.146 3.960 -0.001 0.000 0.218 233 G C 0.339 175.258 174.900 0.031 0.000 1.058 233 G CA -0.022 45.099 45.100 0.036 0.000 0.632 233 G HN 2.075 nan 8.290 nan 0.000 0.508 234 A N -0.041 122.797 122.820 0.031 0.000 2.599 234 A HA 0.735 5.055 4.320 -0.001 0.000 0.294 234 A C -0.361 177.240 177.584 0.028 0.000 1.055 234 A CA -0.170 51.883 52.037 0.026 0.000 0.683 234 A CB 0.788 19.801 19.000 0.021 0.000 1.278 234 A HN 0.560 nan 8.150 nan 0.000 0.412 235 M N 1.182 120.796 119.600 0.025 0.000 2.228 235 M HA 0.345 4.825 4.480 -0.001 0.000 0.326 235 M C 0.774 177.085 176.300 0.018 0.000 1.122 235 M CA 0.036 55.350 55.300 0.023 0.000 1.161 235 M CB 0.260 32.873 32.600 0.022 0.000 1.437 235 M HN 0.789 nan 8.290 nan 0.000 0.465 236 R N 0.931 121.440 120.500 0.016 0.000 2.694 236 R HA 0.255 4.594 4.340 -0.001 0.000 0.268 236 R C -2.028 174.278 176.300 0.010 0.000 1.061 236 R CA -1.245 54.862 56.100 0.012 0.000 1.133 236 R CB -0.628 29.678 30.300 0.009 0.000 1.020 236 R HN 0.386 nan 8.270 nan 0.000 0.475 237 P HA -0.078 nan 4.420 nan 0.000 0.268 237 P C -0.652 176.651 177.300 0.006 0.000 1.208 237 P CA -0.081 63.023 63.100 0.007 0.000 0.777 237 P CB 0.418 32.122 31.700 0.006 0.000 0.875 238 E N 1.010 121.213 120.200 0.006 0.000 2.465 238 E HA 0.240 4.589 4.350 -0.001 0.000 0.260 238 E C -0.334 176.267 176.600 0.003 0.000 0.980 238 E CA -0.508 55.894 56.400 0.004 0.000 0.927 238 E CB 0.302 30.005 29.700 0.005 0.000 0.934 238 E HN 0.492 nan 8.360 nan 0.000 0.459 239 A N 5.775 128.595 122.820 0.001 0.000 2.351 239 A HA 0.362 4.682 4.320 -0.001 0.000 0.257 239 A C -2.138 175.446 177.584 0.001 0.000 1.087 239 A CA -1.332 50.705 52.037 0.000 0.000 0.798 239 A CB 0.046 19.045 19.000 -0.002 0.000 1.033 239 A HN 0.581 nan 8.150 nan 0.000 0.488 240 P HA 0.203 nan 4.420 nan 0.000 0.267 240 P C -2.380 174.921 177.300 0.001 0.000 1.200 240 P CA -0.676 62.425 63.100 0.001 0.000 0.772 240 P CB -0.515 31.185 31.700 0.001 0.000 0.855 241 P HA 0.253 nan 4.420 nan 0.000 0.269 241 P C -0.492 176.809 177.300 0.002 0.000 1.215 241 P CA 0.218 63.320 63.100 0.002 0.000 0.780 241 P CB 0.675 32.377 31.700 0.003 0.000 0.898 242 I N 2.576 123.147 120.570 0.001 0.000 2.411 242 I HA 0.244 4.413 4.170 -0.001 0.000 0.284 242 I C -0.021 176.098 176.117 0.004 0.000 1.012 242 I CA -0.583 60.718 61.300 0.002 0.000 1.119 242 I CB 1.205 39.205 38.000 0.000 0.000 1.261 242 I HN 0.174 nan 8.210 nan 0.000 0.448 243 N N 5.807 124.511 118.700 0.007 0.000 2.405 243 N HA 0.539 5.279 4.740 -0.001 0.000 0.299 243 N C -0.936 174.582 175.510 0.013 0.000 1.075 243 N CA -0.464 52.592 53.050 0.009 0.000 0.884 243 N CB 2.942 41.435 38.487 0.009 0.000 1.194 243 N HN 0.134 nan 8.380 nan 0.000 0.491 244 V N 1.225 121.148 119.914 0.015 0.000 2.444 244 V HA 0.567 4.687 4.120 -0.001 0.000 0.294 244 V C -0.020 176.090 176.094 0.025 0.000 1.022 244 V CA -0.594 61.720 62.300 0.023 0.000 0.850 244 V CB 1.449 33.288 31.823 0.028 0.000 0.992 244 V HN 0.870 nan 8.190 nan 0.000 0.426 245 T N 1.803 116.374 114.554 0.029 0.000 2.909 245 T HA 0.651 5.000 4.350 -0.001 0.000 0.299 245 T C -0.846 173.873 174.700 0.032 0.000 1.073 245 T CA -0.830 61.286 62.100 0.026 0.000 0.999 245 T CB 2.248 71.128 68.868 0.019 0.000 1.098 245 T HN 0.520 nan 8.240 nan 0.000 0.477 246 Q N 1.832 121.649 119.800 0.028 0.000 2.932 246 Q HA 0.257 4.597 4.340 -0.001 0.000 0.248 246 Q C -1.924 174.083 176.000 0.012 0.000 0.982 246 Q CA -1.952 53.867 55.803 0.026 0.000 0.730 246 Q CB 1.746 30.504 28.738 0.033 0.000 1.249 246 Q HN 0.574 nan 8.270 nan 0.000 0.476 247 P HA -0.121 nan 4.420 nan 0.000 0.226 247 P C 0.120 177.421 177.300 0.001 0.000 1.153 247 P CA 0.983 64.087 63.100 0.007 0.000 0.777 247 P CB 0.487 32.192 31.700 0.009 0.000 0.794 248 E N -0.301 119.900 120.200 0.001 0.000 2.499 248 E HA 0.358 4.707 4.350 -0.001 0.000 0.199 248 E C 0.881 177.470 176.600 -0.018 0.000 1.016 248 E CA -0.041 56.356 56.400 -0.006 0.000 0.933 248 E CB 0.225 29.925 29.700 -0.001 0.000 1.050 248 E HN 0.185 nan 8.360 nan 0.000 0.462 249 G N 0.922 109.707 108.800 -0.024 0.000 2.632 249 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.224 249 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.224 249 G C -0.103 174.755 174.900 -0.070 0.000 1.341 249 G CA -0.452 44.616 45.100 -0.053 0.000 0.880 249 G HN 0.435 nan 8.290 nan 0.000 0.566 250 V N -2.668 117.149 119.914 -0.162 0.000 2.975 250 V HA 0.874 4.993 4.120 -0.001 0.000 0.318 250 V C 1.462 177.447 176.094 -0.181 0.000 1.077 250 V CA 0.874 63.039 62.300 -0.224 0.000 1.000 250 V CB 1.489 32.940 31.823 -0.620 0.000 1.066 250 V HN 2.347 nan 8.190 nan 0.000 0.452 251 S N 1.568 117.260 115.700 -0.013 0.000 2.503 251 S HA 0.180 4.649 4.470 -0.001 0.000 0.217 251 S C 0.568 175.278 174.600 0.184 0.000 0.999 251 S CA 0.057 58.316 58.200 0.098 0.000 0.914 251 S CB -0.675 62.643 63.200 0.196 0.000 0.782 251 S HN 1.052 nan 8.310 nan 0.000 0.520 252 F N 1.483 121.584 119.950 0.251 0.000 2.371 252 F HA 0.725 5.252 4.527 -0.001 0.000 0.329 252 F C -0.109 175.729 175.800 0.064 0.000 1.107 252 F CA -1.253 56.874 58.000 0.212 0.000 1.137 252 F CB 0.708 39.798 39.000 0.150 0.000 1.214 252 F HN -0.071 nan 8.300 nan 0.000 0.536 253 K N 4.263 124.802 120.400 0.232 0.000 2.463 253 K HA 0.411 4.730 4.320 -0.001 0.000 0.255 253 K C -1.420 175.226 176.600 0.077 0.000 0.942 253 K CA -0.775 55.568 56.287 0.093 0.000 0.814 253 K CB 1.131 33.652 32.500 0.036 0.000 1.122 253 K HN 0.756 nan 8.250 nan 0.000 0.425 254 M N 2.760 122.394 119.600 0.056 0.000 2.336 254 M HA 0.250 4.730 4.480 -0.001 0.000 0.342 254 M C -0.663 175.633 176.300 -0.006 0.000 1.128 254 M CA -0.434 54.840 55.300 -0.044 0.000 1.016 254 M CB 1.726 34.224 32.600 -0.170 0.000 1.665 254 M HN 0.526 nan 8.290 nan 0.000 0.445 255 T N 2.446 116.985 114.554 -0.025 0.000 3.060 255 T HA 0.534 4.884 4.350 -0.001 0.000 0.367 255 T C 0.792 175.504 174.700 0.020 0.000 1.229 255 T CA 0.218 62.329 62.100 0.019 0.000 1.104 255 T CB 0.822 69.711 68.868 0.035 0.000 1.083 255 T HN 1.035 nan 8.240 nan 0.000 0.524 256 G N 4.178 112.998 108.800 0.034 0.000 2.596 256 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.304 256 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.304 256 G C 0.848 175.718 174.900 -0.049 0.000 1.189 256 G CA 0.175 45.294 45.100 0.031 0.000 0.986 256 G HN 0.566 nan 8.290 nan 0.000 0.548 257 N N 0.690 119.321 118.700 -0.114 0.000 2.398 257 N HA 0.177 4.916 4.740 -0.001 0.000 0.188 257 N C 0.511 175.766 175.510 -0.425 0.000 1.122 257 N CA 0.692 53.550 53.050 -0.320 0.000 0.866 257 N CB 0.628 38.807 38.487 -0.514 0.000 0.970 257 N HN 0.377 nan 8.380 nan 0.000 0.462 258 V N 2.312 122.078 119.914 -0.246 0.000 2.461 258 V HA 0.212 4.331 4.120 -0.001 0.000 0.275 258 V C 0.240 176.154 176.094 -0.300 0.000 1.047 258 V CA -0.518 61.647 62.300 -0.226 0.000 0.955 258 V CB 1.220 33.028 31.823 -0.026 0.000 0.988 258 V HN 0.086 nan 8.190 nan 0.000 0.471 259 M N 5.353 124.634 119.600 -0.531 0.000 2.336 259 M HA 0.519 4.999 4.480 -0.001 0.000 0.342 259 M C -0.590 175.428 176.300 -0.470 0.000 1.128 259 M CA 0.119 55.033 55.300 -0.642 0.000 1.016 259 M CB 1.312 33.155 32.600 -1.262 0.000 1.665 259 M HN 0.655 nan 8.290 nan 0.000 0.445 260 E N 3.922 124.013 120.200 -0.182 0.000 2.218 260 E HA 0.476 4.826 4.350 -0.001 0.000 0.263 260 E C -2.203 174.498 176.600 0.168 0.000 0.879 260 E CA -0.286 56.101 56.400 -0.022 0.000 0.762 260 E CB 1.702 31.397 29.700 -0.009 0.000 1.166 260 E HN 0.765 nan 8.360 nan 0.000 0.415 261 W N 2.744 124.049 121.300 0.009 0.000 3.615 261 W HA 0.206 4.865 4.660 -0.001 0.000 0.319 261 W C -0.301 176.314 176.519 0.159 0.000 1.172 261 W CA -0.456 56.949 57.345 0.100 0.000 1.240 261 W CB 1.471 30.996 29.460 0.109 0.000 1.313 261 W HN 0.458 nan 8.180 nan 0.000 0.487 262 S N 5.137 120.429 115.700 -0.681 0.000 3.559 262 S HA -0.326 4.144 4.470 -0.001 0.000 0.369 262 S C 0.832 175.130 174.600 -0.504 0.000 0.987 262 S CA 1.935 59.665 58.200 -0.783 0.000 1.187 262 S CB -1.421 60.861 63.200 -1.530 0.000 0.914 262 S HN 1.083 nan 8.310 nan 0.000 0.480 263 N N -2.392 116.036 118.700 -0.453 0.000 2.951 263 N HA -0.182 4.558 4.740 -0.001 0.000 0.213 263 N C -0.107 175.057 175.510 -0.578 0.000 0.877 263 N CA 1.831 54.469 53.050 -0.686 0.000 1.042 263 N CB -1.608 36.098 38.487 -1.303 0.000 1.005 263 N HN 0.587 nan 8.380 nan 0.000 0.604 264 F N 1.676 121.553 119.950 -0.122 0.000 2.429 264 F HA 0.366 4.893 4.527 -0.001 0.000 0.348 264 F C 1.032 176.902 175.800 0.117 0.000 1.109 264 F CA 0.308 58.406 58.000 0.164 0.000 1.232 264 F CB 0.785 40.054 39.000 0.449 0.000 1.157 264 F HN -0.158 nan 8.300 nan 0.000 0.564 265 K N 4.188 124.817 120.400 0.382 0.000 2.427 265 K HA 0.653 4.973 4.320 -0.001 0.000 0.252 265 K C -1.655 175.148 176.600 0.339 0.000 0.931 265 K CA -0.525 55.875 56.287 0.188 0.000 0.793 265 K CB 1.508 34.076 32.500 0.112 0.000 1.211 265 K HN 0.520 nan 8.250 nan 0.000 0.426 266 F N -0.492 119.476 119.950 0.030 0.000 2.773 266 F HA 0.376 4.902 4.527 -0.001 0.000 0.314 266 F C -1.510 174.283 175.800 -0.013 0.000 1.160 266 F CA -1.189 56.826 58.000 0.024 0.000 0.920 266 F CB 0.937 39.923 39.000 -0.023 0.000 1.323 266 F HN 0.427 nan 8.300 nan 0.000 0.457 267 H N 2.373 121.499 119.070 0.094 0.000 2.467 267 H HA 0.551 5.107 4.556 -0.001 0.000 0.326 267 H C -1.140 174.179 175.328 -0.015 0.000 1.094 267 H CA -0.605 55.381 56.048 -0.103 0.000 1.253 267 H CB 1.528 31.153 29.762 -0.229 0.000 1.439 267 H HN 0.729 nan 8.280 nan 0.000 0.479 268 I N 5.461 125.729 120.570 -0.504 0.000 2.287 268 I HA 0.216 4.385 4.170 -0.001 0.000 0.290 268 I C 1.026 176.944 176.117 -0.332 0.000 1.069 268 I CA -0.312 60.828 61.300 -0.268 0.000 1.237 268 I CB 0.976 38.855 38.000 -0.202 0.000 1.418 268 I HN 0.531 nan 8.210 nan 0.000 0.481 269 G N 5.226 114.011 108.800 -0.026 0.000 2.552 269 G HA2 0.698 4.658 3.960 -0.001 0.000 0.318 269 G HA3 0.698 4.658 3.960 -0.001 0.000 0.318 269 G C -1.503 173.511 174.900 0.189 0.000 1.240 269 G CA -0.334 44.848 45.100 0.136 0.000 1.002 269 G HN 0.401 nan 8.290 nan 0.000 0.493 270 F N 0.521 120.493 119.950 0.038 0.000 2.635 270 F HA 0.458 4.984 4.527 -0.001 0.000 0.314 270 F C -0.999 174.870 175.800 0.115 0.000 1.119 270 F CA -0.909 57.123 58.000 0.053 0.000 1.000 270 F CB 2.086 41.113 39.000 0.045 0.000 1.278 270 F HN 0.802 nan 8.300 nan 0.000 0.446 271 N N 1.957 120.508 118.700 -0.248 0.000 2.774 271 N HA 0.242 4.982 4.740 -0.001 0.000 0.264 271 N C 0.119 175.543 175.510 -0.144 0.000 1.415 271 N CA -0.529 52.542 53.050 0.035 0.000 0.815 271 N CB 0.315 38.859 38.487 0.096 0.000 1.514 271 N HN 0.522 nan 8.380 nan 0.000 0.523 272 Y N -1.437 118.741 120.300 -0.203 0.000 2.365 272 Y HA 0.046 4.596 4.550 -0.001 0.000 0.287 272 Y C 2.009 177.452 175.900 -0.761 0.000 1.162 272 Y CA 1.327 58.924 58.100 -0.838 0.000 1.260 272 Y CB -0.331 37.310 38.460 -1.364 0.000 0.976 272 Y HN 0.662 nan 8.280 nan 0.000 0.548 273 R N 0.247 119.970 120.500 -1.294 0.000 2.076 273 R HA 0.119 4.458 4.340 -0.001 0.000 0.203 273 R C 1.927 177.804 176.300 -0.705 0.000 1.229 273 R CA 0.807 56.164 56.100 -1.239 0.000 1.094 273 R CB 0.031 29.313 30.300 -1.696 0.000 0.991 273 R HN 0.338 nan 8.270 nan 0.000 0.471 274 E N 0.001 119.888 120.200 -0.522 0.000 2.358 274 E HA 0.119 4.469 4.350 -0.001 0.000 0.195 274 E C 0.874 177.269 176.600 -0.341 0.000 1.010 274 E CA 0.468 56.686 56.400 -0.303 0.000 0.856 274 E CB 0.351 29.960 29.700 -0.151 0.000 0.795 274 E HN 0.576 nan 8.360 nan 0.000 0.504 275 G N 1.901 110.331 108.800 -0.616 0.000 2.543 275 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.286 275 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.286 275 G C 0.136 174.527 174.900 -0.849 0.000 1.153 275 G CA -0.078 44.435 45.100 -0.978 0.000 0.968 275 G HN 0.203 nan 8.290 nan 0.000 0.544 276 I N 1.298 121.751 120.570 -0.195 0.000 2.618 276 I HA 0.343 4.512 4.170 -0.001 0.000 0.284 276 I C 0.298 176.283 176.117 -0.221 0.000 1.146 276 I CA 0.055 61.354 61.300 -0.003 0.000 1.425 276 I CB 0.866 38.941 38.000 0.126 0.000 1.383 276 I HN 0.318 nan 8.210 nan 0.000 0.562 277 V N 7.984 127.777 119.914 -0.201 0.000 2.483 277 V HA 0.371 4.491 4.120 -0.001 0.000 0.297 277 V C -0.082 175.863 176.094 -0.248 0.000 1.027 277 V CA -0.583 61.559 62.300 -0.262 0.000 0.855 277 V CB 1.700 33.427 31.823 -0.160 0.000 0.995 277 V HN 0.447 nan 8.190 nan 0.000 0.424 278 L N 4.186 125.174 121.223 -0.391 0.000 2.272 278 L HA 0.655 4.995 4.340 -0.001 0.000 0.289 278 L C 0.163 176.935 176.870 -0.163 0.000 1.032 278 L CA 0.126 54.816 54.840 -0.251 0.000 0.810 278 L CB 1.610 43.428 42.059 -0.402 0.000 1.205 278 L HN 0.620 nan 8.230 nan 0.000 0.422 279 S N 0.849 116.533 115.700 -0.026 0.000 2.599 279 S HA 0.318 4.788 4.470 -0.001 0.000 0.294 279 S C -0.453 174.162 174.600 0.025 0.000 1.094 279 S CA -0.544 57.584 58.200 -0.120 0.000 0.931 279 S CB 1.798 64.842 63.200 -0.260 0.000 1.093 279 S HN 0.751 nan 8.310 nan 0.000 0.488 280 D N 0.924 121.302 120.400 -0.037 0.000 2.705 280 D HA -0.143 4.497 4.640 -0.001 0.000 0.240 280 D C -0.719 175.736 176.300 0.257 0.000 1.137 280 D CA 0.375 54.481 54.000 0.177 0.000 0.677 280 D CB -1.205 39.771 40.800 0.293 0.000 1.049 280 D HN 0.234 nan 8.370 nan 0.000 0.427 281 V N 1.157 121.213 119.914 0.235 0.000 2.432 281 V HA 0.568 4.687 4.120 -0.001 0.000 0.271 281 V C 0.898 177.139 176.094 0.246 0.000 1.046 281 V CA 0.322 62.799 62.300 0.295 0.000 0.945 281 V CB 1.439 33.414 31.823 0.253 0.000 0.992 281 V HN 0.474 nan 8.190 nan 0.000 0.471 282 S N 4.541 120.434 115.700 0.322 0.000 2.632 282 S HA 0.776 5.245 4.470 -0.001 0.000 0.289 282 S C -1.352 173.447 174.600 0.330 0.000 1.115 282 S CA -0.794 57.565 58.200 0.265 0.000 0.889 282 S CB 2.073 65.394 63.200 0.202 0.000 1.116 282 S HN 0.574 nan 8.310 nan 0.000 0.486 283 Y N 1.704 122.080 120.300 0.127 0.000 2.361 283 Y HA 0.521 5.070 4.550 -0.001 0.000 0.337 283 Y C -0.594 175.346 175.900 0.066 0.000 0.965 283 Y CA -0.802 57.316 58.100 0.029 0.000 1.091 283 Y CB 1.568 40.032 38.460 0.006 0.000 1.182 283 Y HN 0.863 nan 8.280 nan 0.000 0.450 284 N N 4.747 123.266 118.700 -0.302 0.000 2.448 284 N HA 0.031 4.770 4.740 -0.001 0.000 0.250 284 N C -1.175 174.292 175.510 -0.073 0.000 1.136 284 N CA 0.057 53.020 53.050 -0.145 0.000 0.953 284 N CB 0.233 38.596 38.487 -0.207 0.000 1.251 284 N HN 0.655 nan 8.380 nan 0.000 0.502 285 D N 3.067 123.613 120.400 0.243 0.000 2.522 285 D HA 0.060 4.699 4.640 -0.001 0.000 0.218 285 D C -0.250 176.168 176.300 0.198 0.000 1.149 285 D CA 0.015 54.230 54.000 0.359 0.000 0.981 285 D CB -0.556 40.524 40.800 0.468 0.000 1.041 285 D HN 0.464 nan 8.370 nan 0.000 0.518 286 H N 2.195 121.327 119.070 0.103 0.000 2.626 286 H HA -0.212 4.343 4.556 -0.001 0.000 0.317 286 H C 1.336 176.681 175.328 0.028 0.000 1.140 286 H CA 1.243 57.317 56.048 0.043 0.000 1.134 286 H CB -1.190 28.598 29.762 0.044 0.000 1.486 286 H HN 0.738 nan 8.280 nan 0.000 0.417 287 G N 0.156 108.995 108.800 0.065 0.000 2.232 287 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.226 287 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.226 287 G C 0.223 175.147 174.900 0.040 0.000 0.996 287 G CA 0.168 45.294 45.100 0.043 0.000 0.626 287 G HN 0.656 nan 8.290 nan 0.000 0.509 288 N N 0.791 119.530 118.700 0.065 0.000 2.469 288 N HA 0.420 5.160 4.740 -0.001 0.000 0.239 288 N C 0.017 175.571 175.510 0.073 0.000 1.053 288 N CA -0.352 52.730 53.050 0.053 0.000 0.937 288 N CB 0.755 39.271 38.487 0.048 0.000 1.163 288 N HN 0.035 nan 8.380 nan 0.000 0.509 289 V N 4.816 124.762 119.914 0.053 0.000 2.387 289 V HA 0.181 4.300 4.120 -0.001 0.000 0.260 289 V C 0.407 176.557 176.094 0.093 0.000 1.054 289 V CA -0.048 62.295 62.300 0.071 0.000 0.967 289 V CB 0.004 31.854 31.823 0.044 0.000 1.036 289 V HN 0.587 nan 8.190 nan 0.000 0.481 290 R N 5.894 126.488 120.500 0.156 0.000 2.343 290 R HA 0.434 4.774 4.340 -0.001 0.000 0.320 290 R C -2.730 173.697 176.300 0.211 0.000 0.956 290 R CA -1.861 54.337 56.100 0.164 0.000 0.836 290 R CB 1.696 32.105 30.300 0.182 0.000 1.151 290 R HN 0.402 nan 8.270 nan 0.000 0.450 291 P HA 0.068 nan 4.420 nan 0.000 0.269 291 P C -0.060 177.280 177.300 0.066 0.000 1.215 291 P CA 0.191 63.362 63.100 0.118 0.000 0.780 291 P CB 0.841 32.598 31.700 0.096 0.000 0.898 292 I N -0.493 120.014 120.570 -0.105 0.000 3.669 292 I HA 0.206 4.375 4.170 -0.001 0.000 0.255 292 I C -0.101 175.646 176.117 -0.617 0.000 1.144 292 I CA 0.431 61.403 61.300 -0.548 0.000 1.447 292 I CB 0.269 37.703 38.000 -0.943 0.000 1.622 292 I HN 0.122 nan 8.210 nan 0.000 0.435 293 F N -0.561 119.343 119.950 -0.077 0.000 2.565 293 F HA 0.335 4.861 4.527 -0.001 0.000 0.313 293 F C 0.758 176.565 175.800 0.012 0.000 1.091 293 F CA -1.057 56.901 58.000 -0.069 0.000 0.915 293 F CB 0.968 39.881 39.000 -0.145 0.000 1.208 293 F HN -0.087 nan 8.300 nan 0.000 0.453 294 H N 1.169 120.316 119.070 0.127 0.000 2.403 294 H HA 0.283 4.839 4.556 -0.001 0.000 0.298 294 H C 0.217 175.532 175.328 -0.021 0.000 1.059 294 H CA 1.380 57.447 56.048 0.031 0.000 1.363 294 H CB 0.462 30.199 29.762 -0.042 0.000 1.410 294 H HN 0.531 nan 8.280 nan 0.000 0.528 295 R N -0.001 120.433 120.500 -0.110 0.000 2.579 295 R HA 0.391 4.730 4.340 -0.001 0.000 0.260 295 R C -2.130 174.012 176.300 -0.263 0.000 1.103 295 R CA -0.623 55.333 56.100 -0.239 0.000 0.942 295 R CB 1.288 31.437 30.300 -0.252 0.000 1.251 295 R HN 0.255 nan 8.270 nan 0.000 0.450 296 I N 2.697 123.064 120.570 -0.338 0.000 2.656 296 I HA 0.600 4.770 4.170 -0.001 0.000 0.292 296 I C -1.489 174.345 176.117 -0.473 0.000 1.144 296 I CA -0.082 60.965 61.300 -0.421 0.000 1.038 296 I CB 2.098 39.778 38.000 -0.534 0.000 1.244 296 I HN 0.910 nan 8.210 nan 0.000 0.420 297 S N 6.182 121.722 115.700 -0.267 0.000 2.636 297 S HA 0.540 5.010 4.470 -0.001 0.000 0.266 297 S C -1.648 173.063 174.600 0.184 0.000 1.147 297 S CA -1.057 57.066 58.200 -0.129 0.000 0.815 297 S CB 1.075 64.177 63.200 -0.164 0.000 1.119 297 S HN 0.585 nan 8.310 nan 0.000 0.470 298 L N 2.576 123.967 121.223 0.280 0.000 2.276 298 L HA 0.513 4.853 4.340 -0.001 0.000 0.286 298 L C 1.250 178.174 176.870 0.091 0.000 1.061 298 L CA -0.154 54.814 54.840 0.214 0.000 0.807 298 L CB 1.753 43.969 42.059 0.261 0.000 1.177 298 L HN 1.034 nan 8.230 nan 0.000 0.429 299 S N 0.689 116.426 115.700 0.062 0.000 2.505 299 S HA 0.228 4.697 4.470 -0.001 0.000 0.216 299 S C 0.277 174.889 174.600 0.021 0.000 1.018 299 S CA -0.194 58.072 58.200 0.110 0.000 0.911 299 S CB 0.532 63.850 63.200 0.197 0.000 0.818 299 S HN 0.653 nan 8.310 nan 0.000 0.497 300 E N -0.658 119.443 120.200 -0.165 0.000 2.403 300 E HA 0.629 4.978 4.350 -0.001 0.000 0.280 300 E C -1.839 174.598 176.600 -0.271 0.000 1.101 300 E CA -0.364 55.883 56.400 -0.255 0.000 0.856 300 E CB 1.102 30.563 29.700 -0.397 0.000 1.303 300 E HN 0.324 nan 8.360 nan 0.000 0.441 301 M N 1.690 121.245 119.600 -0.074 0.000 2.631 301 M HA 0.651 5.131 4.480 -0.001 0.000 0.288 301 M C -1.153 175.292 176.300 0.243 0.000 1.260 301 M CA -0.932 54.363 55.300 -0.008 0.000 0.842 301 M CB 2.453 34.918 32.600 -0.225 0.000 1.743 301 M HN 0.590 nan 8.290 nan 0.000 0.461 302 I N 0.667 121.344 120.570 0.179 0.000 2.752 302 I HA 0.503 4.672 4.170 -0.001 0.000 0.295 302 I C -1.559 174.543 176.117 -0.024 0.000 1.219 302 I CA -0.698 60.654 61.300 0.086 0.000 1.030 302 I CB 2.148 40.173 38.000 0.042 0.000 1.259 302 I HN 0.415 nan 8.210 nan 0.000 0.423 303 V N 8.243 128.176 119.914 0.033 0.000 2.260 303 V HA 0.328 4.447 4.120 -0.001 0.000 0.263 303 V C -2.329 173.818 176.094 0.087 0.000 1.036 303 V CA -1.240 61.059 62.300 -0.002 0.000 0.874 303 V CB 0.641 32.500 31.823 0.059 0.000 1.116 303 V HN 0.517 nan 8.190 nan 0.000 0.454 304 P HA 0.239 nan 4.420 nan 0.000 0.282 304 P C -0.810 176.493 177.300 0.005 0.000 1.274 304 P CA -0.125 63.022 63.100 0.077 0.000 0.770 304 P CB 0.674 32.350 31.700 -0.040 0.000 0.867 305 Y N 1.471 121.818 120.300 0.080 0.000 2.326 305 Y HA 0.397 4.946 4.550 -0.001 0.000 0.333 305 Y C 2.006 177.889 175.900 -0.028 0.000 1.240 305 Y CA 0.684 58.820 58.100 0.061 0.000 1.365 305 Y CB 0.630 39.131 38.460 0.068 0.000 1.289 305 Y HN 0.486 nan 8.280 nan 0.000 0.548 306 G N 0.185 109.022 108.800 0.061 0.000 3.575 306 G HA2 0.047 4.006 3.960 -0.001 0.000 0.273 306 G HA3 0.047 4.006 3.960 -0.001 0.000 0.273 306 G C -0.167 174.645 174.900 -0.148 0.000 1.053 306 G CA -0.160 44.923 45.100 -0.030 0.000 0.803 306 G HN 0.465 nan 8.290 nan 0.000 0.528 307 S N 1.468 117.023 115.700 -0.241 0.000 2.475 307 S HA 0.442 4.911 4.470 -0.001 0.000 0.281 307 S C -0.822 173.493 174.600 -0.475 0.000 1.198 307 S CA -1.368 56.537 58.200 -0.493 0.000 1.063 307 S CB 1.789 64.537 63.200 -0.754 0.000 0.972 307 S HN 0.082 nan 8.310 nan 0.000 0.486 308 P HA 0.064 nan 4.420 nan 0.000 0.236 308 P C -0.249 176.919 177.300 -0.220 0.000 1.177 308 P CA 0.258 63.099 63.100 -0.431 0.000 0.773 308 P CB 0.101 31.479 31.700 -0.537 0.000 0.878 309 E N 0.066 120.172 120.200 -0.157 0.000 2.360 309 E HA 0.129 4.478 4.350 -0.001 0.000 0.269 309 E C -0.381 176.145 176.600 -0.122 0.000 1.022 309 E CA -0.704 55.678 56.400 -0.030 0.000 0.887 309 E CB 0.355 30.109 29.700 0.090 0.000 0.990 309 E HN 0.052 nan 8.360 nan 0.000 0.426 310 F N 4.910 124.726 119.950 -0.223 0.000 2.529 310 F HA 0.094 4.620 4.527 -0.001 0.000 0.365 310 F C -1.381 174.115 175.800 -0.507 0.000 1.102 310 F CA -1.573 56.259 58.000 -0.279 0.000 1.271 310 F CB 0.862 39.768 39.000 -0.156 0.000 1.120 310 F HN 0.326 nan 8.300 nan 0.000 0.579 311 P HA 0.090 nan 4.420 nan 0.000 0.254 311 P C 0.139 176.968 177.300 -0.785 0.000 1.620 311 P CA 0.226 62.544 63.100 -1.302 0.000 1.050 311 P CB -0.104 30.989 31.700 -1.012 0.000 1.539 312 H N 0.729 119.541 119.070 -0.429 0.000 2.546 312 H HA -0.058 4.498 4.556 -0.001 0.000 0.277 312 H C 2.108 177.298 175.328 -0.231 0.000 1.004 312 H CA 0.845 56.685 56.048 -0.346 0.000 1.231 312 H CB -0.182 29.362 29.762 -0.363 0.000 1.382 312 H HN 0.403 nan 8.280 nan 0.000 0.580 313 Q N 1.766 121.475 119.800 -0.152 0.000 2.291 313 Q HA -0.150 4.190 4.340 -0.001 0.000 0.206 313 Q C 1.355 177.417 176.000 0.103 0.000 0.976 313 Q CA 1.022 56.794 55.803 -0.052 0.000 0.875 313 Q CB -0.317 28.369 28.738 -0.086 0.000 0.927 313 Q HN 0.394 nan 8.270 nan 0.000 0.450 314 R N 0.861 121.346 120.500 -0.025 0.000 2.319 314 R HA 0.154 4.494 4.340 -0.001 0.000 0.204 314 R C 0.132 176.420 176.300 -0.020 0.000 0.954 314 R CA 0.134 56.240 56.100 0.010 0.000 1.066 314 R CB 0.223 30.451 30.300 -0.121 0.000 0.991 314 R HN 0.160 nan 8.270 nan 0.000 0.486 315 K N 2.058 122.490 120.400 0.053 0.000 2.244 315 K HA 0.089 4.409 4.320 -0.001 0.000 0.263 315 K C -0.375 176.475 176.600 0.416 0.000 1.103 315 K CA -0.109 56.250 56.287 0.120 0.000 0.966 315 K CB 0.464 32.805 32.500 -0.264 0.000 1.429 315 K HN 0.293 nan 8.250 nan 0.000 0.434 316 H N 0.212 119.488 119.070 0.342 0.000 3.080 316 H HA 0.200 4.756 4.556 -0.001 0.000 0.211 316 H C -0.753 174.693 175.328 0.196 0.000 1.359 316 H CA -0.724 55.468 56.048 0.241 0.000 1.322 316 H CB -0.554 29.269 29.762 0.103 0.000 2.164 316 H HN 0.363 nan 8.280 nan 0.000 0.526 317 A N 1.983 124.915 122.820 0.187 0.000 2.546 317 A HA 0.304 4.623 4.320 -0.001 0.000 0.243 317 A C 0.175 177.779 177.584 0.033 0.000 1.063 317 A CA -0.212 51.850 52.037 0.041 0.000 0.757 317 A CB 0.101 19.079 19.000 -0.037 0.000 0.991 317 A HN 0.478 nan 8.150 nan 0.000 0.503 318 L N 3.546 124.753 121.223 -0.026 0.000 2.353 318 L HA 0.220 4.559 4.340 -0.001 0.000 0.269 318 L C 0.681 177.490 176.870 -0.101 0.000 1.085 318 L CA -0.019 54.822 54.840 0.002 0.000 0.938 318 L CB 0.701 42.800 42.059 0.067 0.000 1.312 318 L HN 0.730 nan 8.230 nan 0.000 0.429 319 D N 1.441 121.803 120.400 -0.063 0.000 2.149 319 D HA -0.179 4.460 4.640 -0.001 0.000 0.198 319 D C 2.042 178.255 176.300 -0.144 0.000 0.990 319 D CA 1.584 55.577 54.000 -0.011 0.000 0.839 319 D CB 0.360 41.197 40.800 0.062 0.000 0.948 319 D HN 0.491 nan 8.370 nan 0.000 0.460 320 I N 0.885 121.330 120.570 -0.208 0.000 2.163 320 I HA -0.164 4.006 4.170 -0.001 0.000 0.240 320 I C 2.548 178.462 176.117 -0.339 0.000 1.081 320 I CA 1.432 62.549 61.300 -0.305 0.000 1.353 320 I CB -0.327 37.518 38.000 -0.258 0.000 1.054 320 I HN 0.006 nan 8.210 nan 0.000 0.407 321 G N -0.366 108.270 108.800 -0.273 0.000 2.484 321 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.218 321 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.218 321 G C 1.464 176.227 174.900 -0.228 0.000 1.130 321 G CA 0.303 45.237 45.100 -0.277 0.000 0.784 321 G HN 0.408 nan 8.290 nan 0.000 0.543 322 E N -1.435 118.583 120.200 -0.303 0.000 2.389 322 E HA 0.130 4.479 4.350 -0.001 0.000 0.199 322 E C 0.993 177.250 176.600 -0.573 0.000 0.978 322 E CA 0.278 56.401 56.400 -0.462 0.000 0.912 322 E CB 0.342 29.644 29.700 -0.663 0.000 0.907 322 E HN 0.583 nan 8.360 nan 0.000 0.494 323 Y N -0.475 119.785 120.300 -0.068 0.000 2.652 323 Y HA 0.347 4.896 4.550 -0.001 0.000 0.274 323 Y C 0.792 176.678 175.900 -0.023 0.000 1.148 323 Y CA 0.205 58.288 58.100 -0.029 0.000 1.219 323 Y CB 1.034 39.453 38.460 -0.067 0.000 1.337 323 Y HN -0.044 nan 8.280 nan 0.000 0.490 324 G N 0.811 109.557 108.800 -0.089 0.000 3.421 324 G HA2 0.144 4.104 3.960 -0.001 0.000 0.686 324 G HA3 0.144 4.104 3.960 -0.001 0.000 0.686 324 G C 0.593 175.234 174.900 -0.431 0.000 1.056 324 G CA -0.299 44.599 45.100 -0.337 0.000 0.891 324 G HN 0.641 nan 8.290 nan 0.000 0.514 325 A N 1.242 123.677 122.820 -0.643 0.000 2.121 325 A HA 0.347 4.667 4.320 -0.001 0.000 0.218 325 A C 2.515 179.893 177.584 -0.344 0.000 1.154 325 A CA 2.416 53.948 52.037 -0.841 0.000 0.679 325 A CB -0.281 18.278 19.000 -0.735 0.000 0.795 325 A HN 2.128 nan 8.150 nan 0.000 0.458 326 G N -1.571 107.029 108.800 -0.334 0.000 2.417 326 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.212 326 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.212 326 G C 1.369 176.366 174.900 0.160 0.000 1.187 326 G CA 0.741 45.847 45.100 0.010 0.000 0.804 326 G HN 0.395 nan 8.290 nan 0.000 0.534 327 Y N 0.807 120.935 120.300 -0.285 0.000 2.193 327 Y HA -0.008 4.541 4.550 -0.001 0.000 0.285 327 Y C 2.849 178.766 175.900 0.027 0.000 1.166 327 Y CA 0.724 58.675 58.100 -0.247 0.000 1.181 327 Y CB -0.379 37.952 38.460 -0.214 0.000 0.976 327 Y HN 0.137 nan 8.280 nan 0.000 0.520 328 M N -1.167 118.539 119.600 0.177 0.000 2.561 328 M HA -0.007 4.473 4.480 -0.001 0.000 0.238 328 M C 0.775 177.258 176.300 0.304 0.000 1.131 328 M CA 0.295 55.713 55.300 0.197 0.000 1.046 328 M CB -0.082 32.605 32.600 0.145 0.000 1.532 328 M HN -0.100 nan 8.290 nan 0.000 0.497 329 T N 1.869 116.632 114.554 0.348 0.000 2.919 329 T HA 0.132 4.482 4.350 -0.001 0.000 0.302 329 T C 0.075 174.945 174.700 0.282 0.000 1.031 329 T CA -0.086 62.248 62.100 0.391 0.000 1.127 329 T CB 0.197 69.363 68.868 0.497 0.000 0.952 329 T HN 0.363 nan 8.240 nan 0.000 0.540 330 N N 5.084 123.921 118.700 0.228 0.000 2.520 330 N HA 0.240 4.979 4.740 -0.001 0.000 0.273 330 N C -2.642 172.932 175.510 0.107 0.000 1.155 330 N CA -1.489 51.650 53.050 0.148 0.000 0.967 330 N CB 0.864 39.419 38.487 0.113 0.000 1.092 330 N HN 0.395 nan 8.380 nan 0.000 0.457 331 P HA 0.054 nan 4.420 nan 0.000 0.267 331 P C -0.576 176.732 177.300 0.013 0.000 1.209 331 P CA 0.285 63.393 63.100 0.014 0.000 0.763 331 P CB 0.585 32.281 31.700 -0.007 0.000 0.816 332 L N 2.449 123.679 121.223 0.011 0.000 2.431 332 L HA 0.758 5.098 4.340 -0.001 0.000 0.260 332 L C 0.744 177.598 176.870 -0.026 0.000 1.098 332 L CA -0.179 54.694 54.840 0.055 0.000 0.800 332 L CB 1.003 43.171 42.059 0.181 0.000 1.210 332 L HN 0.535 nan 8.230 nan 0.000 0.465 333 S N 0.024 115.745 115.700 0.035 0.000 2.707 333 S HA 0.303 4.773 4.470 -0.001 0.000 0.270 333 S C -0.938 173.689 174.600 0.044 0.000 1.031 333 S CA -0.859 57.336 58.200 -0.008 0.000 0.866 333 S CB 0.563 63.722 63.200 -0.069 0.000 1.114 333 S HN 0.526 nan 8.310 nan 0.000 0.465 334 L N 0.517 121.764 121.223 0.040 0.000 3.358 334 L HA 0.516 4.856 4.340 -0.001 0.000 0.301 334 L C 0.544 177.452 176.870 0.064 0.000 1.276 334 L CA 0.192 55.054 54.840 0.036 0.000 1.028 334 L CB 0.678 42.733 42.059 -0.007 0.000 1.421 334 L HN 0.997 nan 8.230 nan 0.000 0.604 335 G N -1.749 107.089 108.800 0.065 0.000 2.643 335 G HA2 0.440 4.399 3.960 -0.001 0.000 0.305 335 G HA3 0.440 4.399 3.960 -0.001 0.000 0.305 335 G C -0.060 174.861 174.900 0.034 0.000 1.387 335 G CA -0.234 44.908 45.100 0.070 0.000 0.982 335 G HN 0.100 nan 8.290 nan 0.000 0.501 336 C N 0.267 119.588 119.300 0.035 0.000 2.628 336 C HA 0.192 4.651 4.460 -0.001 0.000 0.393 336 C C 2.086 177.092 174.990 0.027 0.000 1.328 336 C CA 0.143 59.174 59.018 0.021 0.000 2.079 336 C CB 0.083 27.834 27.740 0.017 0.000 2.663 336 C HN 0.736 nan 8.230 nan 0.000 0.557 337 D N 0.716 121.144 120.400 0.046 0.000 2.097 337 D HA -0.081 4.558 4.640 -0.001 0.000 0.195 337 D C 0.299 176.639 176.300 0.066 0.000 0.989 337 D CA 1.278 55.316 54.000 0.063 0.000 0.827 337 D CB 0.039 40.888 40.800 0.082 0.000 0.966 337 D HN 0.434 nan 8.370 nan 0.000 0.456 338 C N 1.611 120.932 119.300 0.036 0.000 2.344 338 C HA 0.407 4.867 4.460 -0.001 0.000 0.326 338 C C 0.173 175.071 174.990 -0.153 0.000 1.201 338 C CA -1.412 57.563 59.018 -0.071 0.000 1.410 338 C CB 1.386 29.072 27.740 -0.091 0.000 2.070 338 C HN 0.053 nan 8.230 nan 0.000 0.445 339 K N 2.343 122.626 120.400 -0.195 0.000 2.172 339 K HA 0.658 4.977 4.320 -0.001 0.000 0.276 339 K C 0.666 177.141 176.600 -0.209 0.000 1.013 339 K CA 0.863 57.067 56.287 -0.139 0.000 0.913 339 K CB 0.860 33.323 32.500 -0.061 0.000 1.055 339 K HN 1.133 nan 8.250 nan 0.000 0.461 340 G N 0.948 109.688 108.800 -0.101 0.000 2.337 340 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.197 340 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.197 340 G C -1.377 173.510 174.900 -0.021 0.000 1.238 340 G CA -0.593 44.483 45.100 -0.040 0.000 1.119 340 G HN 0.471 nan 8.290 nan 0.000 0.514 341 V N 1.988 121.925 119.914 0.037 0.000 2.353 341 V HA 0.494 4.613 4.120 -0.001 0.000 0.264 341 V C 0.282 176.428 176.094 0.086 0.000 1.049 341 V CA -0.470 61.864 62.300 0.056 0.000 0.896 341 V CB 0.779 32.642 31.823 0.065 0.000 1.025 341 V HN 0.560 nan 8.190 nan 0.000 0.475 342 I N 4.071 124.645 120.570 0.006 0.000 2.441 342 I HA 0.411 4.580 4.170 -0.001 0.000 0.295 342 I C -0.147 175.925 176.117 -0.075 0.000 0.994 342 I CA -0.578 60.654 61.300 -0.114 0.000 1.144 342 I CB 1.480 39.203 38.000 -0.462 0.000 1.314 342 I HN 0.646 nan 8.210 nan 0.000 0.445 343 H N 5.413 124.428 119.070 -0.092 0.000 2.504 343 H HA 0.474 5.029 4.556 -0.001 0.000 0.322 343 H C -1.438 173.771 175.328 -0.199 0.000 1.055 343 H CA -0.254 55.778 56.048 -0.027 0.000 1.231 343 H CB 0.860 30.729 29.762 0.179 0.000 1.417 343 H HN 0.381 nan 8.280 nan 0.000 0.472 344 Y N 4.161 124.517 120.300 0.094 0.000 2.419 344 Y HA 0.372 4.921 4.550 -0.001 0.000 0.328 344 Y C -0.373 175.575 175.900 0.080 0.000 1.162 344 Y CA -0.778 57.362 58.100 0.068 0.000 1.174 344 Y CB 1.320 39.769 38.460 -0.019 0.000 1.228 344 Y HN 0.434 nan 8.280 nan 0.000 0.473 345 L N 2.326 123.657 121.223 0.180 0.000 2.354 345 L HA 0.502 4.842 4.340 -0.001 0.000 0.269 345 L C -0.949 175.858 176.870 -0.105 0.000 1.005 345 L CA -1.122 53.737 54.840 0.032 0.000 0.819 345 L CB 1.723 43.759 42.059 -0.037 0.000 1.311 345 L HN 0.531 nan 8.230 nan 0.000 0.423 346 D N 0.922 121.215 120.400 -0.178 0.000 2.332 346 D HA 0.651 5.291 4.640 -0.001 0.000 0.252 346 D C -0.384 175.566 176.300 -0.583 0.000 1.050 346 D CA -0.159 53.631 54.000 -0.349 0.000 0.970 346 D CB 2.042 42.650 40.800 -0.320 0.000 1.141 346 D HN 0.583 nan 8.370 nan 0.000 0.485 347 A N 0.869 123.248 122.820 -0.735 0.000 2.355 347 A HA 0.656 4.976 4.320 -0.001 0.000 0.324 347 A C -1.171 175.775 177.584 -1.064 0.000 1.117 347 A CA -0.585 50.968 52.037 -0.807 0.000 0.785 347 A CB 0.718 19.298 19.000 -0.701 0.000 1.254 347 A HN 0.673 nan 8.150 nan 0.000 0.453 348 H N 0.065 118.826 119.070 -0.516 0.000 2.589 348 H HA 0.670 5.226 4.556 -0.001 0.000 0.351 348 H C -1.294 173.814 175.328 -0.367 0.000 1.074 348 H CA -0.201 55.596 56.048 -0.418 0.000 1.203 348 H CB 1.496 31.174 29.762 -0.141 0.000 1.558 348 H HN 0.542 nan 8.280 nan 0.000 0.522 349 F N -0.419 119.698 119.950 0.279 0.000 2.764 349 F HA 0.559 5.086 4.527 -0.001 0.000 0.347 349 F C 0.452 176.361 175.800 0.182 0.000 1.151 349 F CA -1.189 56.970 58.000 0.266 0.000 1.021 349 F CB 1.327 40.577 39.000 0.417 0.000 1.438 349 F HN 0.384 nan 8.300 nan 0.000 0.516 350 S N -0.167 115.763 115.700 0.383 0.000 2.549 350 S HA 0.556 5.026 4.470 -0.001 0.000 0.297 350 S C -1.058 173.652 174.600 0.183 0.000 1.115 350 S CA -0.728 57.582 58.200 0.185 0.000 1.059 350 S CB 0.636 63.878 63.200 0.070 0.000 1.046 350 S HN 0.610 nan 8.310 nan 0.000 0.506 351 D N 2.407 122.872 120.400 0.108 0.000 2.506 351 D HA 0.337 4.976 4.640 -0.001 0.000 0.272 351 D C 1.169 177.535 176.300 0.109 0.000 1.214 351 D CA -0.580 53.471 54.000 0.086 0.000 1.067 351 D CB 0.272 41.111 40.800 0.066 0.000 1.117 351 D HN 0.527 nan 8.370 nan 0.000 0.578 352 R N -0.686 119.872 120.500 0.097 0.000 2.105 352 R HA -0.090 4.250 4.340 -0.001 0.000 0.239 352 R C 1.925 178.357 176.300 0.218 0.000 1.135 352 R CA 1.590 57.773 56.100 0.139 0.000 0.967 352 R CB -0.564 29.778 30.300 0.070 0.000 0.861 352 R HN 0.600 nan 8.270 nan 0.000 0.442 353 A N -0.287 122.618 122.820 0.141 0.000 2.119 353 A HA 0.103 4.423 4.320 -0.001 0.000 0.217 353 A C 1.470 179.116 177.584 0.104 0.000 1.153 353 A CA 1.134 53.252 52.037 0.134 0.000 0.692 353 A CB -0.102 18.938 19.000 0.066 0.000 0.799 353 A HN 0.500 nan 8.150 nan 0.000 0.458 354 G N -0.826 107.966 108.800 -0.014 0.000 2.141 354 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.231 354 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.231 354 G C -0.485 174.272 174.900 -0.239 0.000 0.984 354 G CA 0.114 44.965 45.100 -0.416 0.000 0.660 354 G HN 0.478 nan 8.290 nan 0.000 0.525 355 D N 1.230 121.576 120.400 -0.089 0.000 2.210 355 D HA 0.441 5.081 4.640 -0.001 0.000 0.249 355 D C -2.373 173.919 176.300 -0.013 0.000 1.078 355 D CA -1.225 52.745 54.000 -0.049 0.000 0.875 355 D CB 1.481 42.272 40.800 -0.014 0.000 1.175 355 D HN 0.040 nan 8.370 nan 0.000 0.440 356 P HA 0.089 nan 4.420 nan 0.000 0.265 356 P C -0.334 177.005 177.300 0.065 0.000 1.193 356 P CA 0.111 63.228 63.100 0.027 0.000 0.765 356 P CB 0.448 32.136 31.700 -0.019 0.000 0.823 357 I N -1.062 119.582 120.570 0.123 0.000 2.693 357 I HA 0.675 4.845 4.170 -0.001 0.000 0.303 357 I C -0.692 175.488 176.117 0.105 0.000 1.025 357 I CA -0.681 60.695 61.300 0.127 0.000 1.086 357 I CB 2.468 40.573 38.000 0.175 0.000 1.268 357 I HN 0.056 nan 8.210 nan 0.000 0.440 358 T N 3.659 118.257 114.554 0.074 0.000 2.824 358 T HA 0.504 4.853 4.350 -0.001 0.000 0.282 358 T C -0.484 174.179 174.700 -0.063 0.000 0.993 358 T CA -0.448 61.653 62.100 0.002 0.000 0.967 358 T CB 2.052 70.976 68.868 0.093 0.000 0.960 358 T HN 0.422 nan 8.240 nan 0.000 0.441 359 V N 4.668 124.466 119.914 -0.193 0.000 2.328 359 V HA 0.338 4.458 4.120 -0.001 0.000 0.278 359 V C 0.313 176.304 176.094 -0.172 0.000 1.021 359 V CA -0.933 61.305 62.300 -0.103 0.000 0.838 359 V CB 1.073 32.891 31.823 -0.009 0.000 0.999 359 V HN 0.709 nan 8.190 nan 0.000 0.447 360 K N 3.626 123.958 120.400 -0.113 0.000 2.298 360 K HA 0.290 4.609 4.320 -0.001 0.000 0.280 360 K C 0.467 176.977 176.600 -0.151 0.000 1.032 360 K CA -0.139 56.066 56.287 -0.136 0.000 0.958 360 K CB 0.309 32.741 32.500 -0.113 0.000 0.978 360 K HN 0.796 nan 8.250 nan 0.000 0.472 361 N N 0.669 119.271 118.700 -0.164 0.000 2.740 361 N HA -0.254 4.486 4.740 -0.001 0.000 0.248 361 N C 0.411 175.909 175.510 -0.020 0.000 1.062 361 N CA 0.328 53.299 53.050 -0.131 0.000 0.704 361 N CB -0.784 37.426 38.487 -0.462 0.000 0.968 361 N HN 0.758 nan 8.380 nan 0.000 0.547 362 A N -0.716 122.036 122.820 -0.112 0.000 1.968 362 A HA 0.175 4.495 4.320 -0.001 0.000 0.217 362 A C 0.873 178.406 177.584 -0.086 0.000 1.169 362 A CA 1.129 53.073 52.037 -0.154 0.000 0.638 362 A CB 0.626 19.348 19.000 -0.464 0.000 0.812 362 A HN 0.170 nan 8.150 nan 0.000 0.446 363 V N -0.764 119.110 119.914 -0.066 0.000 2.588 363 V HA 0.401 4.521 4.120 -0.001 0.000 0.304 363 V C -0.489 175.664 176.094 0.098 0.000 1.042 363 V CA -0.925 61.386 62.300 0.019 0.000 0.877 363 V CB 1.167 32.964 31.823 -0.043 0.000 0.996 363 V HN 0.412 nan 8.190 nan 0.000 0.425 364 C N 6.887 126.229 119.300 0.070 0.000 2.382 364 C HA 0.836 5.296 4.460 -0.001 0.000 0.327 364 C C -0.545 174.430 174.990 -0.024 0.000 1.250 364 C CA -0.398 58.584 59.018 -0.060 0.000 1.707 364 C CB -0.330 27.387 27.740 -0.038 0.000 2.272 364 C HN 0.822 nan 8.230 nan 0.000 0.506 365 I N 7.683 128.198 120.570 -0.091 0.000 2.447 365 I HA 0.547 4.717 4.170 -0.001 0.000 0.287 365 I C -0.401 175.665 176.117 -0.086 0.000 1.023 365 I CA -0.077 61.126 61.300 -0.161 0.000 1.083 365 I CB 1.504 39.302 38.000 -0.335 0.000 1.245 365 I HN 0.887 nan 8.210 nan 0.000 0.434 366 H N 4.611 123.519 119.070 -0.270 0.000 3.014 366 H HA 0.495 5.051 4.556 -0.001 0.000 0.337 366 H C -1.895 173.352 175.328 -0.134 0.000 1.320 366 H CA -1.076 54.917 56.048 -0.092 0.000 1.128 366 H CB 1.501 31.260 29.762 -0.005 0.000 1.862 366 H HN 0.625 nan 8.280 nan 0.000 0.536 367 E N 1.263 121.473 120.200 0.018 0.000 2.202 367 E HA 0.548 4.898 4.350 -0.001 0.000 0.272 367 E C -0.899 175.721 176.600 0.033 0.000 0.951 367 E CA -0.911 55.436 56.400 -0.089 0.000 0.813 367 E CB 2.612 32.395 29.700 0.138 0.000 1.151 367 E HN 0.755 nan 8.360 nan 0.000 0.398 368 E N 1.274 121.465 120.200 -0.015 0.000 2.430 368 E HA 0.245 4.595 4.350 -0.001 0.000 0.279 368 E C -1.483 175.155 176.600 0.063 0.000 1.003 368 E CA -1.068 55.370 56.400 0.064 0.000 0.801 368 E CB 1.079 30.831 29.700 0.086 0.000 1.313 368 E HN 0.478 nan 8.360 nan 0.000 0.459 369 D N -0.029 120.411 120.400 0.066 0.000 2.472 369 D HA 0.020 4.659 4.640 -0.001 0.000 0.237 369 D C -0.535 175.784 176.300 0.031 0.000 1.141 369 D CA 0.619 54.650 54.000 0.053 0.000 0.875 369 D CB 0.682 41.505 40.800 0.038 0.000 1.192 369 D HN 0.492 nan 8.370 nan 0.000 0.450 370 D N 2.114 122.534 120.400 0.033 0.000 2.819 370 D HA 0.328 4.968 4.640 -0.001 0.000 0.326 370 D C 0.261 176.565 176.300 0.008 0.000 1.408 370 D CA 0.574 54.584 54.000 0.017 0.000 0.811 370 D CB -0.071 40.750 40.800 0.036 0.000 1.148 370 D HN 0.670 nan 8.370 nan 0.000 0.457 371 G N 0.165 108.966 108.800 0.001 0.000 2.632 371 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.224 371 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.224 371 G C -0.445 174.442 174.900 -0.021 0.000 1.341 371 G CA -0.446 44.648 45.100 -0.009 0.000 0.880 371 G HN 0.264 nan 8.290 nan 0.000 0.566 372 L N 0.350 121.558 121.223 -0.026 0.000 2.426 372 L HA 0.318 4.658 4.340 -0.001 0.000 0.271 372 L C 1.813 178.642 176.870 -0.069 0.000 1.169 372 L CA -0.574 54.234 54.840 -0.053 0.000 0.836 372 L CB 0.922 42.964 42.059 -0.028 0.000 1.112 372 L HN 0.594 nan 8.230 nan 0.000 0.465 373 L N 3.949 125.060 121.223 -0.187 0.000 2.145 373 L HA 0.241 4.580 4.340 -0.001 0.000 0.201 373 L C -0.113 176.684 176.870 -0.121 0.000 1.075 373 L CA 1.322 56.027 54.840 -0.225 0.000 0.773 373 L CB 0.239 42.024 42.059 -0.455 0.000 0.936 373 L HN 0.571 nan 8.230 nan 0.000 0.451 374 F N -2.644 117.329 119.950 0.039 0.000 2.770 374 F HA 0.579 5.106 4.527 -0.001 0.000 0.313 374 F C -0.781 175.051 175.800 0.053 0.000 1.154 374 F CA -1.667 56.357 58.000 0.040 0.000 0.923 374 F CB 0.746 39.766 39.000 0.033 0.000 1.301 374 F HN -0.225 nan 8.300 nan 0.000 0.449 375 K N 0.867 121.463 120.400 0.326 0.000 2.557 375 K HA 0.572 4.892 4.320 -0.001 0.000 0.261 375 K C -2.529 174.232 176.600 0.269 0.000 0.932 375 K CA -0.772 55.658 56.287 0.238 0.000 0.829 375 K CB 2.230 34.800 32.500 0.117 0.000 1.358 375 K HN 1.061 nan 8.250 nan 0.000 0.430 376 H N 0.315 119.464 119.070 0.132 0.000 3.029 376 H HA 0.514 5.069 4.556 -0.001 0.000 0.358 376 H C -1.830 173.571 175.328 0.121 0.000 1.129 376 H CA -0.219 55.892 56.048 0.105 0.000 1.230 376 H CB 2.006 31.822 29.762 0.090 0.000 1.827 376 H HN 0.514 nan 8.280 nan 0.000 0.530 377 S N 3.001 118.349 115.700 -0.588 0.000 2.568 377 S HA 0.240 4.709 4.470 -0.001 0.000 0.293 377 S C -1.288 173.139 174.600 -0.288 0.000 1.089 377 S CA -0.910 57.134 58.200 -0.260 0.000 0.945 377 S CB 1.626 64.844 63.200 0.031 0.000 1.077 377 S HN 0.679 nan 8.310 nan 0.000 0.485 378 D N 1.461 121.851 120.400 -0.016 0.000 2.317 378 D HA 0.245 4.884 4.640 -0.001 0.000 0.234 378 D C 0.881 177.141 176.300 -0.068 0.000 1.112 378 D CA -0.963 53.022 54.000 -0.025 0.000 0.840 378 D CB 0.553 41.300 40.800 -0.088 0.000 1.078 378 D HN 0.438 nan 8.370 nan 0.000 0.486 379 F N 3.628 123.548 119.950 -0.050 0.000 2.307 379 F HA -0.030 4.496 4.527 -0.001 0.000 0.301 379 F C 1.768 177.366 175.800 -0.337 0.000 1.076 379 F CA 0.524 58.283 58.000 -0.402 0.000 1.383 379 F CB -0.318 38.592 39.000 -0.149 0.000 1.055 379 F HN 0.221 nan 8.300 nan 0.000 0.526 380 R N 0.909 120.845 120.500 -0.939 0.000 2.105 380 R HA -0.137 4.202 4.340 -0.001 0.000 0.239 380 R C 0.534 176.640 176.300 -0.322 0.000 1.135 380 R CA 1.568 57.264 56.100 -0.674 0.000 0.967 380 R CB -0.657 29.263 30.300 -0.634 0.000 0.861 380 R HN 0.540 nan 8.270 nan 0.000 0.442 381 D N -1.482 118.753 120.400 -0.275 0.000 2.772 381 D HA 0.005 4.644 4.640 -0.001 0.000 0.272 381 D C -0.549 175.642 176.300 -0.181 0.000 1.314 381 D CA -0.468 53.430 54.000 -0.171 0.000 0.835 381 D CB -0.784 39.951 40.800 -0.108 0.000 1.080 381 D HN 0.106 nan 8.370 nan 0.000 0.482 382 N N 1.043 119.552 118.700 -0.319 0.000 2.727 382 N HA -0.292 4.448 4.740 -0.001 0.000 0.249 382 N C -0.677 174.636 175.510 -0.327 0.000 1.048 382 N CA 0.420 53.202 53.050 -0.447 0.000 0.714 382 N CB -0.871 37.508 38.487 -0.181 0.000 0.959 382 N HN 0.267 nan 8.380 nan 0.000 0.544 383 F N -4.777 115.177 119.950 0.008 0.000 2.840 383 F HA -0.324 4.203 4.527 -0.001 0.000 0.310 383 F C 1.667 177.478 175.800 0.019 0.000 0.688 383 F CA 0.796 58.795 58.000 -0.001 0.000 1.286 383 F CB -2.179 36.826 39.000 0.008 0.000 1.612 383 F HN 0.279 nan 8.300 nan 0.000 0.335 384 A N -0.992 121.897 122.820 0.115 0.000 1.933 384 A HA -0.049 4.271 4.320 -0.001 0.000 0.218 384 A C 1.468 179.122 177.584 0.117 0.000 1.175 384 A CA 1.953 54.058 52.037 0.113 0.000 0.628 384 A CB -0.548 18.484 19.000 0.054 0.000 0.814 384 A HN 0.362 nan 8.150 nan 0.000 0.444 385 T N 1.064 115.657 114.554 0.065 0.000 2.751 385 T HA 0.426 4.776 4.350 -0.001 0.000 0.290 385 T C -0.237 174.513 174.700 0.083 0.000 0.919 385 T CA 0.605 62.734 62.100 0.047 0.000 1.136 385 T CB 0.155 69.025 68.868 0.003 0.000 0.875 385 T HN 0.295 nan 8.240 nan 0.000 0.532 386 S N 3.442 119.201 115.700 0.098 0.000 2.535 386 S HA 0.696 5.165 4.470 -0.001 0.000 0.272 386 S C -1.721 172.945 174.600 0.109 0.000 1.149 386 S CA -0.869 57.410 58.200 0.131 0.000 0.888 386 S CB 1.062 64.401 63.200 0.233 0.000 1.110 386 S HN 0.665 nan 8.310 nan 0.000 0.463 387 L N 4.394 125.698 121.223 0.134 0.000 2.436 387 L HA 0.948 5.287 4.340 -0.001 0.000 0.268 387 L C -1.468 175.518 176.870 0.193 0.000 0.974 387 L CA -0.532 54.391 54.840 0.139 0.000 0.826 387 L CB 1.798 43.939 42.059 0.138 0.000 1.291 387 L HN 0.563 nan 8.230 nan 0.000 0.406 388 V N 3.570 123.589 119.914 0.176 0.000 2.733 388 V HA 0.698 4.818 4.120 -0.001 0.000 0.306 388 V C -1.007 175.105 176.094 0.030 0.000 1.084 388 V CA 0.111 62.483 62.300 0.121 0.000 0.905 388 V CB 2.558 34.445 31.823 0.106 0.000 1.010 388 V HN 0.858 nan 8.190 nan 0.000 0.424 389 T N 7.025 121.485 114.554 -0.157 0.000 2.879 389 T HA 0.531 4.881 4.350 -0.001 0.000 0.290 389 T C -0.334 174.166 174.700 -0.333 0.000 0.993 389 T CA -0.552 61.368 62.100 -0.301 0.000 0.975 389 T CB 1.249 69.776 68.868 -0.569 0.000 0.981 389 T HN 0.717 nan 8.240 nan 0.000 0.439 390 R N 1.419 121.818 120.500 -0.168 0.000 2.531 390 R HA 0.672 5.012 4.340 -0.001 0.000 0.273 390 R C 0.173 176.408 176.300 -0.110 0.000 1.070 390 R CA -0.528 55.504 56.100 -0.114 0.000 1.112 390 R CB 0.804 31.078 30.300 -0.042 0.000 1.049 390 R HN 0.703 nan 8.270 nan 0.000 0.508 391 A N 1.577 124.360 122.820 -0.061 0.000 2.304 391 A HA 0.453 4.773 4.320 -0.001 0.000 0.301 391 A C -0.398 177.235 177.584 0.082 0.000 1.132 391 A CA -0.288 51.751 52.037 0.004 0.000 0.819 391 A CB 1.119 20.131 19.000 0.020 0.000 1.094 391 A HN 0.612 nan 8.150 nan 0.000 0.492 392 T N 2.037 116.699 114.554 0.179 0.000 2.841 392 T HA 0.552 4.902 4.350 -0.001 0.000 0.283 392 T C -0.437 174.514 174.700 0.417 0.000 1.000 392 T CA -0.675 61.591 62.100 0.277 0.000 0.977 392 T CB 1.325 70.409 68.868 0.361 0.000 0.979 392 T HN 0.776 nan 8.240 nan 0.000 0.446 393 K N 1.575 122.101 120.400 0.210 0.000 2.267 393 K HA 0.796 5.115 4.320 -0.001 0.000 0.246 393 K C -1.340 175.036 176.600 -0.374 0.000 0.954 393 K CA -1.126 55.185 56.287 0.040 0.000 0.824 393 K CB 1.742 34.234 32.500 -0.013 0.000 1.167 393 K HN 0.355 nan 8.250 nan 0.000 0.431 394 L N 2.293 123.023 121.223 -0.822 0.000 2.287 394 L HA 0.396 4.735 4.340 -0.001 0.000 0.287 394 L C -1.454 175.137 176.870 -0.463 0.000 1.022 394 L CA -0.474 53.778 54.840 -0.980 0.000 0.814 394 L CB 1.756 42.840 42.059 -1.625 0.000 1.217 394 L HN 0.572 nan 8.230 nan 0.000 0.420 395 V N 5.780 125.415 119.914 -0.464 0.000 2.459 395 V HA 0.557 4.677 4.120 -0.001 0.000 0.295 395 V C -0.515 175.506 176.094 -0.122 0.000 1.029 395 V CA -0.683 61.477 62.300 -0.235 0.000 0.874 395 V CB 1.826 33.469 31.823 -0.300 0.000 0.985 395 V HN 0.498 nan 8.190 nan 0.000 0.438 396 V N 4.433 124.395 119.914 0.080 0.000 2.407 396 V HA 0.714 4.834 4.120 -0.001 0.000 0.291 396 V C -0.042 176.195 176.094 0.240 0.000 1.018 396 V CA -0.212 62.162 62.300 0.125 0.000 0.842 396 V CB 1.693 33.612 31.823 0.161 0.000 0.996 396 V HN 1.036 nan 8.190 nan 0.000 0.426 397 S N 4.341 120.139 115.700 0.163 0.000 2.595 397 S HA 0.925 5.394 4.470 -0.001 0.000 0.281 397 S C -1.073 173.577 174.600 0.082 0.000 1.117 397 S CA -0.834 57.411 58.200 0.075 0.000 0.873 397 S CB 2.515 65.693 63.200 -0.036 0.000 1.108 397 S HN 0.849 nan 8.310 nan 0.000 0.477 398 Q N 0.453 120.273 119.800 0.032 0.000 2.511 398 Q HA 0.781 5.120 4.340 -0.001 0.000 0.289 398 Q C -1.763 174.256 176.000 0.033 0.000 1.021 398 Q CA -1.142 54.737 55.803 0.127 0.000 0.785 398 Q CB 1.595 30.534 28.738 0.335 0.000 1.472 398 Q HN 0.750 nan 8.270 nan 0.000 0.411 399 I N 2.249 122.880 120.570 0.102 0.000 2.534 399 I HA 0.500 4.669 4.170 -0.001 0.000 0.288 399 I C -1.148 175.084 176.117 0.191 0.000 1.077 399 I CA -0.907 60.420 61.300 0.045 0.000 1.051 399 I CB 1.503 39.500 38.000 -0.006 0.000 1.234 399 I HN 0.681 nan 8.210 nan 0.000 0.425 400 F N 3.003 123.037 119.950 0.140 0.000 2.556 400 F HA 0.830 5.357 4.527 -0.001 0.000 0.327 400 F C -0.562 175.336 175.800 0.163 0.000 1.059 400 F CA -0.785 57.310 58.000 0.160 0.000 0.953 400 F CB 1.572 40.672 39.000 0.167 0.000 1.227 400 F HN 0.163 nan 8.300 nan 0.000 0.478 401 T N 2.319 117.109 114.554 0.392 0.000 2.786 401 T HA 0.686 5.035 4.350 -0.001 0.000 0.283 401 T C -0.556 174.309 174.700 0.275 0.000 0.992 401 T CA -0.471 61.763 62.100 0.224 0.000 0.954 401 T CB 1.198 70.143 68.868 0.128 0.000 0.934 401 T HN 0.920 nan 8.240 nan 0.000 0.440 402 A N 2.861 125.829 122.820 0.246 0.000 2.654 402 A HA 0.766 5.085 4.320 -0.001 0.000 0.345 402 A C 1.197 178.749 177.584 -0.053 0.000 1.368 402 A CA 0.051 52.135 52.037 0.077 0.000 0.895 402 A CB -0.861 18.269 19.000 0.217 0.000 1.143 402 A HN 1.469 nan 8.150 nan 0.000 0.490 403 A N 2.390 125.164 122.820 -0.077 0.000 5.078 403 A HA -0.329 3.991 4.320 -0.001 0.000 0.342 403 A C 1.123 178.744 177.584 0.062 0.000 1.749 403 A CA 1.834 53.879 52.037 0.013 0.000 0.700 403 A CB -2.115 16.897 19.000 0.020 0.000 1.446 403 A HN 1.507 nan 8.150 nan 0.000 0.395 407 Y N 1.216 121.199 120.300 -0.529 0.000 2.356 407 Y HA 0.435 4.984 4.550 -0.001 0.000 0.334 407 Y C -0.370 175.253 175.900 -0.462 0.000 0.958 407 Y CA -0.771 56.984 58.100 -0.576 0.000 1.196 407 Y CB 1.133 38.974 38.460 -1.030 0.000 1.137 407 Y HN 0.459 nan 8.280 nan 0.000 0.485 408 C N 5.755 124.949 119.300 -0.176 0.000 2.255 408 C HA 0.606 5.066 4.460 -0.001 0.000 0.326 408 C C -0.031 174.762 174.990 -0.328 0.000 1.258 408 C CA -1.184 57.699 59.018 -0.226 0.000 1.676 408 C CB -1.023 26.676 27.740 -0.069 0.000 2.314 408 C HN 0.648 nan 8.230 nan 0.000 0.509 409 L N 3.717 124.653 121.223 -0.478 0.000 2.322 409 L HA 0.532 4.871 4.340 -0.001 0.000 0.281 409 L C -1.132 175.374 176.870 -0.606 0.000 1.014 409 L CA -0.469 54.132 54.840 -0.399 0.000 0.815 409 L CB 0.956 42.937 42.059 -0.130 0.000 1.247 409 L HN 0.621 nan 8.230 nan 0.000 0.421 410 Y N 0.779 120.918 120.300 -0.269 0.000 2.349 410 Y HA 0.303 4.853 4.550 -0.001 0.000 0.324 410 Y C -0.874 174.830 175.900 -0.326 0.000 1.005 410 Y CA -0.657 57.336 58.100 -0.179 0.000 1.240 410 Y CB 1.182 39.564 38.460 -0.131 0.000 1.117 410 Y HN 0.464 nan 8.280 nan 0.000 0.463 411 W N 3.585 124.897 121.300 0.021 0.000 2.322 411 W HA 0.645 5.305 4.660 -0.001 0.000 0.307 411 W C -0.882 175.579 176.519 -0.096 0.000 1.220 411 W CA -0.732 56.563 57.345 -0.083 0.000 1.210 411 W CB 1.126 30.545 29.460 -0.068 0.000 1.223 411 W HN 0.123 nan 8.180 nan 0.000 0.511 412 V N 5.090 124.971 119.914 -0.055 0.000 2.444 412 V HA 0.416 4.536 4.120 -0.001 0.000 0.294 412 V C -0.664 175.269 176.094 -0.269 0.000 1.022 412 V CA -1.140 61.102 62.300 -0.097 0.000 0.850 412 V CB 0.775 32.535 31.823 -0.106 0.000 0.992 412 V HN 0.208 nan 8.190 nan 0.000 0.426 413 F N 4.576 124.385 119.950 -0.236 0.000 2.421 413 F HA 0.742 5.269 4.527 -0.001 0.000 0.337 413 F C 0.332 176.213 175.800 0.136 0.000 1.105 413 F CA -0.514 57.355 58.000 -0.219 0.000 1.049 413 F CB 1.723 40.460 39.000 -0.439 0.000 1.139 413 F HN 0.273 nan 8.300 nan 0.000 0.479 414 M N 2.044 121.958 119.600 0.523 0.000 2.602 414 M HA 0.337 4.817 4.480 -0.001 0.000 0.312 414 M C 0.480 177.180 176.300 0.667 0.000 1.181 414 M CA -0.588 55.033 55.300 0.534 0.000 0.910 414 M CB 2.232 35.001 32.600 0.282 0.000 1.723 414 M HN 0.582 nan 8.290 nan 0.000 0.459 415 Q N 0.718 120.793 119.800 0.458 0.000 2.444 415 Q HA -0.089 4.251 4.340 -0.001 0.000 0.206 415 Q C 0.366 176.479 176.000 0.187 0.000 0.948 415 Q CA 0.596 56.562 55.803 0.271 0.000 0.946 415 Q CB 0.060 28.881 28.738 0.139 0.000 1.027 415 Q HN 0.661 nan 8.270 nan 0.000 0.513 416 D N -1.285 119.232 120.400 0.194 0.000 2.328 416 D HA 0.039 4.678 4.640 -0.001 0.000 0.221 416 D C 1.143 177.475 176.300 0.054 0.000 1.072 416 D CA 0.708 54.762 54.000 0.090 0.000 0.850 416 D CB 0.214 41.074 40.800 0.100 0.000 0.922 416 D HN 0.217 nan 8.370 nan 0.000 0.516 417 G N -0.421 108.512 108.800 0.222 0.000 2.175 417 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.244 417 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.244 417 G C 0.516 175.751 174.900 0.559 0.000 0.982 417 G CA 0.139 45.423 45.100 0.308 0.000 0.641 417 G HN 0.811 nan 8.290 nan 0.000 0.527 418 A N -0.284 122.762 122.820 0.376 0.000 2.332 418 A HA 0.801 5.120 4.320 -0.001 0.000 0.258 418 A C 0.174 177.885 177.584 0.212 0.000 1.087 418 A CA 0.105 52.307 52.037 0.275 0.000 0.802 418 A CB 0.513 19.587 19.000 0.124 0.000 1.042 418 A HN 0.848 nan 8.150 nan 0.000 0.489 419 I N 0.462 121.074 120.570 0.070 0.000 2.498 419 I HA 0.485 4.654 4.170 -0.001 0.000 0.290 419 I C 0.054 176.070 176.117 -0.170 0.000 1.032 419 I CA -0.374 60.778 61.300 -0.246 0.000 1.073 419 I CB 2.068 39.836 38.000 -0.387 0.000 1.251 419 I HN 0.796 nan 8.210 nan 0.000 0.426 420 R N 6.071 126.434 120.500 -0.227 0.000 2.670 420 R HA 0.643 4.982 4.340 -0.001 0.000 0.289 420 R C -1.865 174.278 176.300 -0.262 0.000 0.965 420 R CA -0.675 55.308 56.100 -0.194 0.000 0.899 420 R CB 2.020 32.233 30.300 -0.144 0.000 1.173 420 R HN 0.608 nan 8.270 nan 0.000 0.456 421 L N 4.112 125.127 121.223 -0.346 0.000 2.298 421 L HA 0.447 4.786 4.340 -0.001 0.000 0.284 421 L C -1.321 175.316 176.870 -0.388 0.000 1.013 421 L CA -0.626 53.896 54.840 -0.531 0.000 0.824 421 L CB 1.539 43.131 42.059 -0.778 0.000 1.221 421 L HN 0.734 nan 8.230 nan 0.000 0.418 422 D N 5.955 126.186 120.400 -0.283 0.000 2.192 422 D HA 0.551 5.191 4.640 -0.001 0.000 0.246 422 D C -0.362 175.900 176.300 -0.063 0.000 1.042 422 D CA -0.036 53.873 54.000 -0.152 0.000 0.847 422 D CB 2.785 43.511 40.800 -0.124 0.000 1.186 422 D HN 0.345 nan 8.370 nan 0.000 0.461 423 I N 1.415 121.946 120.570 -0.064 0.000 2.545 423 I HA 0.377 4.546 4.170 -0.001 0.000 0.292 423 I C -0.021 176.099 176.117 0.005 0.000 1.040 423 I CA -0.781 60.491 61.300 -0.046 0.000 1.068 423 I CB 2.170 40.047 38.000 -0.205 0.000 1.251 423 I HN -0.050 nan 8.210 nan 0.000 0.424 424 R N 6.100 126.634 120.500 0.056 0.000 2.480 424 R HA 0.631 4.971 4.340 -0.001 0.000 0.306 424 R C -1.347 174.895 176.300 -0.098 0.000 0.958 424 R CA -0.853 55.244 56.100 -0.005 0.000 0.861 424 R CB 2.232 32.566 30.300 0.057 0.000 1.171 424 R HN 0.486 nan 8.270 nan 0.000 0.445 425 L N 2.135 123.255 121.223 -0.172 0.000 2.275 425 L HA 0.492 4.831 4.340 -0.001 0.000 0.288 425 L C 0.599 177.310 176.870 -0.266 0.000 1.046 425 L CA -0.225 54.423 54.840 -0.319 0.000 0.805 425 L CB 1.611 43.430 42.059 -0.401 0.000 1.193 425 L HN 0.668 nan 8.230 nan 0.000 0.426 426 T N 1.049 115.425 114.554 -0.296 0.000 2.572 426 T HA 0.827 5.177 4.350 -0.001 0.000 0.274 426 T C -0.030 174.524 174.700 -0.242 0.000 0.949 426 T CA 0.398 62.364 62.100 -0.224 0.000 1.126 426 T CB 1.430 70.190 68.868 -0.180 0.000 1.478 426 T HN 0.995 nan 8.240 nan 0.000 0.492 427 G N 0.319 108.984 108.800 -0.225 0.000 2.484 427 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.225 427 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.225 427 G C -1.002 173.763 174.900 -0.225 0.000 1.250 427 G CA -0.178 44.786 45.100 -0.227 0.000 0.926 427 G HN 0.933 nan 8.290 nan 0.000 0.581 428 I N 0.837 121.267 120.570 -0.234 0.000 2.509 428 I HA 0.429 4.598 4.170 -0.001 0.000 0.293 428 I C 0.722 176.735 176.117 -0.173 0.000 1.020 428 I CA -0.883 60.263 61.300 -0.257 0.000 1.088 428 I CB 1.772 39.484 38.000 -0.480 0.000 1.267 428 I HN 0.503 nan 8.210 nan 0.000 0.430 429 L N 5.089 126.320 121.223 0.013 0.000 2.525 429 L HA -0.005 4.335 4.340 -0.001 0.000 0.278 429 L C 0.973 177.859 176.870 0.027 0.000 1.218 429 L CA 0.288 55.185 54.840 0.095 0.000 0.878 429 L CB -0.113 42.072 42.059 0.210 0.000 1.127 429 L HN 0.671 nan 8.230 nan 0.000 0.492 430 N N 2.143 120.893 118.700 0.083 0.000 2.483 430 N HA 0.049 4.789 4.740 -0.001 0.000 0.264 430 N C -0.689 174.908 175.510 0.144 0.000 1.197 430 N CA -0.104 53.035 53.050 0.149 0.000 0.927 430 N CB 0.832 39.390 38.487 0.118 0.000 1.065 430 N HN 0.696 nan 8.380 nan 0.000 0.461 431 T N 0.920 115.630 114.554 0.260 0.000 2.907 431 T HA 0.432 4.782 4.350 -0.001 0.000 0.292 431 T C -1.021 173.767 174.700 0.147 0.000 1.043 431 T CA -0.752 61.444 62.100 0.161 0.000 1.003 431 T CB 1.595 70.605 68.868 0.237 0.000 1.084 431 T HN 0.508 nan 8.240 nan 0.000 0.483 432 Y N 1.212 121.383 120.300 -0.215 0.000 2.605 432 Y HA 0.680 5.230 4.550 -0.001 0.000 0.343 432 Y C -0.534 175.277 175.900 -0.150 0.000 1.036 432 Y CA -2.084 55.880 58.100 -0.228 0.000 1.065 432 Y CB 1.522 39.761 38.460 -0.368 0.000 1.288 432 Y HN 0.991 nan 8.280 nan 0.000 0.481 433 I N 4.270 124.215 120.570 -1.041 0.000 2.696 433 I HA 0.244 4.414 4.170 -0.001 0.000 0.284 433 I C -1.299 174.572 176.117 -0.411 0.000 1.129 433 I CA -0.268 60.646 61.300 -0.642 0.000 1.410 433 I CB 0.540 38.168 38.000 -0.619 0.000 1.399 433 I HN 0.601 nan 8.210 nan 0.000 0.579 434 L N 7.291 128.391 121.223 -0.204 0.000 2.381 434 L HA 0.631 4.971 4.340 -0.001 0.000 0.274 434 L C 0.078 176.907 176.870 -0.069 0.000 0.988 434 L CA -0.102 54.687 54.840 -0.084 0.000 0.824 434 L CB 1.490 43.512 42.059 -0.060 0.000 1.263 434 L HN 0.636 nan 8.230 nan 0.000 0.410 435 G N 2.413 111.196 108.800 -0.028 0.000 2.614 435 G HA2 0.099 4.059 3.960 -0.001 0.000 0.239 435 G HA3 0.099 4.059 3.960 -0.001 0.000 0.239 435 G C 0.333 175.224 174.900 -0.015 0.000 1.240 435 G CA -0.140 44.949 45.100 -0.018 0.000 0.842 435 G HN 0.790 nan 8.290 nan 0.000 0.584 436 D N 0.169 120.563 120.400 -0.009 0.000 2.133 436 D HA -0.104 4.535 4.640 -0.001 0.000 0.192 436 D C 1.243 177.539 176.300 -0.007 0.000 1.001 436 D CA 1.414 55.412 54.000 -0.003 0.000 0.844 436 D CB 0.174 40.976 40.800 0.003 0.000 0.944 436 D HN 0.406 nan 8.370 nan 0.000 0.447 437 D N 0.266 120.665 120.400 -0.002 0.000 2.424 437 D HA 0.027 4.666 4.640 -0.001 0.000 0.220 437 D C 0.171 176.474 176.300 0.004 0.000 1.150 437 D CA -0.079 53.920 54.000 -0.001 0.000 0.831 437 D CB 0.273 41.073 40.800 0.001 0.000 0.981 437 D HN 0.315 nan 8.370 nan 0.000 0.500 438 E N 1.667 121.872 120.200 0.008 0.000 2.283 438 E HA 0.057 4.406 4.350 -0.001 0.000 0.278 438 E C -0.262 176.348 176.600 0.017 0.000 1.027 438 E CA -0.381 56.034 56.400 0.024 0.000 0.843 438 E CB 1.001 30.725 29.700 0.041 0.000 1.062 438 E HN -0.067 nan 8.360 nan 0.000 0.401 439 E N 2.764 122.977 120.200 0.021 0.000 2.259 439 E HA 0.139 4.488 4.350 -0.001 0.000 0.281 439 E C 0.086 176.703 176.600 0.028 0.000 1.027 439 E CA -0.079 56.324 56.400 0.006 0.000 0.838 439 E CB 1.739 31.431 29.700 -0.013 0.000 1.066 439 E HN 0.651 nan 8.360 nan 0.000 0.401 440 A N 3.792 126.626 122.820 0.023 0.000 1.930 440 A HA 0.083 4.402 4.320 -0.001 0.000 0.215 440 A C 1.258 178.864 177.584 0.037 0.000 1.176 440 A CA 1.039 53.115 52.037 0.065 0.000 0.632 440 A CB -0.273 18.760 19.000 0.054 0.000 0.819 440 A HN 0.572 nan 8.150 nan 0.000 0.445 441 G N -0.620 108.154 108.800 -0.045 0.000 2.606 441 G HA2 0.399 4.358 3.960 -0.001 0.000 0.252 441 G HA3 0.399 4.358 3.960 -0.001 0.000 0.252 441 G C -1.315 173.381 174.900 -0.340 0.000 1.206 441 G CA -0.418 44.595 45.100 -0.146 0.000 0.861 441 G HN 0.185 nan 8.290 nan 0.000 0.561 442 P HA 0.059 nan 4.420 nan 0.000 0.249 442 P C 0.445 177.530 177.300 -0.359 0.000 1.229 442 P CA 0.471 63.206 63.100 -0.609 0.000 0.788 442 P CB 0.127 31.298 31.700 -0.881 0.000 1.072 443 W N 0.366 121.722 121.300 0.094 0.000 3.197 443 W HA 0.441 5.101 4.660 -0.001 0.000 0.274 443 W C 0.976 177.601 176.519 0.176 0.000 1.297 443 W CA -0.157 57.254 57.345 0.108 0.000 1.662 443 W CB 0.395 29.876 29.460 0.034 0.000 1.106 443 W HN -0.028 nan 8.180 nan 0.000 0.663 444 G N -0.491 108.499 108.800 0.317 0.000 2.548 444 G HA2 0.516 4.475 3.960 -0.001 0.000 0.301 444 G HA3 0.516 4.475 3.960 -0.001 0.000 0.301 444 G C -1.451 173.541 174.900 0.154 0.000 1.349 444 G CA -0.643 44.630 45.100 0.289 0.000 0.792 444 G HN -0.293 nan 8.290 nan 0.000 0.481 445 T N 0.055 114.673 114.554 0.107 0.000 2.861 445 T HA 0.478 4.828 4.350 -0.001 0.000 0.287 445 T C -0.048 174.648 174.700 -0.005 0.000 1.003 445 T CA -0.636 61.493 62.100 0.049 0.000 0.977 445 T CB 1.930 70.834 68.868 0.060 0.000 0.996 445 T HN 0.575 nan 8.240 nan 0.000 0.448 446 R N 2.803 123.289 120.500 -0.023 0.000 2.351 446 R HA 0.275 4.615 4.340 -0.001 0.000 0.321 446 R C 1.043 177.299 176.300 -0.073 0.000 1.182 446 R CA -0.182 55.880 56.100 -0.064 0.000 1.011 446 R CB -0.237 30.027 30.300 -0.060 0.000 1.048 446 R HN 0.583 nan 8.270 nan 0.000 0.490 447 V N 2.224 122.057 119.914 -0.135 0.000 3.608 447 V HA 0.270 4.389 4.120 -0.001 0.000 0.269 447 V C -0.225 175.843 176.094 -0.043 0.000 1.245 447 V CA 0.051 62.277 62.300 -0.123 0.000 1.138 447 V CB -0.830 30.847 31.823 -0.243 0.000 0.841 447 V HN 0.679 nan 8.190 nan 0.000 0.451 448 Y N -0.624 119.519 120.300 -0.262 0.000 2.620 448 Y HA 0.588 5.138 4.550 -0.001 0.000 0.331 448 Y C -3.181 172.585 175.900 -0.223 0.000 1.173 448 Y CA -2.281 55.711 58.100 -0.179 0.000 1.076 448 Y CB 1.658 40.035 38.460 -0.139 0.000 1.336 448 Y HN -0.115 nan 8.280 nan 0.000 0.459 449 P HA 0.208 nan 4.420 nan 0.000 0.265 449 P C -0.688 176.382 177.300 -0.384 0.000 1.193 449 P CA 1.188 63.902 63.100 -0.643 0.000 0.765 449 P CB 0.247 31.243 31.700 -1.172 0.000 0.823 450 N N -1.085 117.492 118.700 -0.205 0.000 2.753 450 N HA -0.142 4.598 4.740 -0.001 0.000 0.251 450 N C -0.895 174.534 175.510 -0.134 0.000 1.097 450 N CA 0.364 53.340 53.050 -0.123 0.000 0.786 450 N CB -1.377 37.069 38.487 -0.069 0.000 1.137 450 N HN 0.116 nan 8.380 nan 0.000 0.566 451 V N 0.824 120.657 119.914 -0.135 0.000 2.409 451 V HA 0.294 4.414 4.120 -0.001 0.000 0.291 451 V C 0.018 176.015 176.094 -0.163 0.000 1.020 451 V CA -0.688 61.520 62.300 -0.154 0.000 0.848 451 V CB 1.748 33.445 31.823 -0.210 0.000 0.990 451 V HN 0.234 nan 8.190 nan 0.000 0.430 452 N N 3.233 121.846 118.700 -0.145 0.000 2.476 452 N HA 0.620 5.360 4.740 -0.001 0.000 0.257 452 N C -0.306 175.094 175.510 -0.183 0.000 0.970 452 N CA -0.436 52.544 53.050 -0.118 0.000 0.938 452 N CB 1.136 39.591 38.487 -0.053 0.000 1.144 452 N HN 0.841 nan 8.380 nan 0.000 0.500 453 A N 3.544 126.299 122.820 -0.110 0.000 2.294 453 A HA 0.240 4.559 4.320 -0.001 0.000 0.316 453 A C -0.574 177.063 177.584 0.088 0.000 1.359 453 A CA -0.391 51.619 52.037 -0.045 0.000 0.956 453 A CB -0.160 18.826 19.000 -0.022 0.000 1.155 453 A HN 0.838 nan 8.150 nan 0.000 0.544 454 H N 2.163 121.346 119.070 0.188 0.000 2.790 454 H HA 0.064 4.619 4.556 -0.001 0.000 0.358 454 H C 0.238 175.736 175.328 0.284 0.000 1.103 454 H CA -0.391 55.807 56.048 0.250 0.000 1.426 454 H CB 0.649 30.581 29.762 0.282 0.000 1.424 454 H HN 0.662 nan 8.280 nan 0.000 0.599 455 N N 2.964 121.862 118.700 0.331 0.000 2.441 455 N HA -0.006 4.734 4.740 -0.001 0.000 0.251 455 N C -0.225 175.227 175.510 -0.097 0.000 1.242 455 N CA 0.484 53.567 53.050 0.055 0.000 0.898 455 N CB 0.368 38.927 38.487 0.121 0.000 1.100 455 N HN 0.689 nan 8.380 nan 0.000 0.443 456 H N -1.732 117.049 119.070 -0.482 0.000 3.037 456 H HA 0.323 4.878 4.556 -0.001 0.000 0.336 456 H C -1.357 173.672 175.328 -0.500 0.000 1.323 456 H CA -0.776 54.861 56.048 -0.685 0.000 1.159 456 H CB 0.839 29.710 29.762 -1.483 0.000 1.882 456 H HN 0.395 nan 8.280 nan 0.000 0.535 457 Q N 0.877 120.447 119.800 -0.382 0.000 2.257 457 Q HA 0.358 4.698 4.340 -0.001 0.000 0.262 457 Q C -0.694 175.156 176.000 -0.250 0.000 0.997 457 Q CA -0.925 54.717 55.803 -0.268 0.000 0.873 457 Q CB 2.225 30.859 28.738 -0.174 0.000 1.312 457 Q HN 0.523 nan 8.270 nan 0.000 0.450 458 H N 2.056 121.104 119.070 -0.038 0.000 2.587 458 H HA 0.434 4.990 4.556 -0.001 0.000 0.325 458 H C -0.827 174.361 175.328 -0.234 0.000 1.012 458 H CA -0.297 55.700 56.048 -0.085 0.000 1.213 458 H CB 0.899 30.718 29.762 0.095 0.000 1.431 458 H HN 0.358 nan 8.280 nan 0.000 0.492 459 L N 3.853 124.897 121.223 -0.299 0.000 2.362 459 L HA 0.478 4.817 4.340 -0.001 0.000 0.271 459 L C -0.957 175.679 176.870 -0.389 0.000 1.002 459 L CA -0.791 53.924 54.840 -0.209 0.000 0.818 459 L CB 1.630 43.665 42.059 -0.040 0.000 1.298 459 L HN 0.366 nan 8.230 nan 0.000 0.420 460 F N -0.005 119.819 119.950 -0.211 0.000 2.551 460 F HA 0.413 4.940 4.527 -0.001 0.000 0.316 460 F C 0.273 175.937 175.800 -0.227 0.000 1.089 460 F CA -0.741 57.065 58.000 -0.324 0.000 0.915 460 F CB 2.232 40.773 39.000 -0.764 0.000 1.186 460 F HN 0.232 nan 8.300 nan 0.000 0.456 461 S N 3.236 118.826 115.700 -0.185 0.000 2.474 461 S HA 0.464 4.933 4.470 -0.001 0.000 0.320 461 S C -0.993 173.672 174.600 0.108 0.000 1.067 461 S CA -0.541 57.541 58.200 -0.197 0.000 1.127 461 S CB -0.012 62.643 63.200 -0.908 0.000 0.971 461 S HN 0.558 nan 8.310 nan 0.000 0.472 462 L N 6.038 127.450 121.223 0.316 0.000 2.361 462 L HA 0.472 4.812 4.340 -0.001 0.000 0.278 462 L C 0.297 177.200 176.870 0.055 0.000 1.113 462 L CA 0.355 55.349 54.840 0.258 0.000 0.849 462 L CB 0.471 42.712 42.059 0.302 0.000 1.155 462 L HN 0.673 nan 8.230 nan 0.000 0.452 463 R N 6.342 126.762 120.500 -0.134 0.000 2.265 463 R HA 0.540 4.880 4.340 -0.001 0.000 0.328 463 R C -1.333 174.718 176.300 -0.415 0.000 0.969 463 R CA -0.498 55.272 56.100 -0.552 0.000 0.832 463 R CB 0.514 30.452 30.300 -0.603 0.000 1.139 463 R HN 0.762 nan 8.270 nan 0.000 0.457 464 I N 3.661 123.990 120.570 -0.401 0.000 2.362 464 I HA 0.163 4.333 4.170 -0.001 0.000 0.289 464 I C -0.543 175.434 176.117 -0.233 0.000 0.994 464 I CA -0.723 60.358 61.300 -0.365 0.000 1.158 464 I CB 1.795 39.553 38.000 -0.404 0.000 1.315 464 I HN 0.502 nan 8.210 nan 0.000 0.451 465 D N 9.747 130.042 120.400 -0.175 0.000 2.467 465 D HA 0.318 4.958 4.640 -0.001 0.000 0.220 465 D C -2.513 173.830 176.300 0.072 0.000 1.103 465 D CA -2.049 51.941 54.000 -0.016 0.000 0.886 465 D CB 1.329 42.157 40.800 0.046 0.000 1.025 465 D HN 0.144 nan 8.370 nan 0.000 0.514 466 P HA 0.355 nan 4.420 nan 0.000 0.282 466 P C -0.498 176.887 177.300 0.142 0.000 1.259 466 P CA -0.618 62.631 63.100 0.249 0.000 0.826 466 P CB 1.286 33.110 31.700 0.207 0.000 1.064 467 R N 1.878 122.449 120.500 0.118 0.000 2.593 467 R HA 0.272 4.612 4.340 -0.001 0.000 0.258 467 R C -0.314 176.008 176.300 0.036 0.000 1.410 467 R CA -0.390 55.744 56.100 0.056 0.000 1.537 467 R CB -0.000 30.342 30.300 0.071 0.000 1.362 467 R HN 0.336 nan 8.270 nan 0.000 0.734 468 I N 2.615 123.216 120.570 0.052 0.000 2.576 468 I HA -0.020 4.149 4.170 -0.001 0.000 0.288 468 I C 0.577 176.795 176.117 0.168 0.000 1.126 468 I CA 0.820 62.189 61.300 0.115 0.000 1.362 468 I CB 0.078 38.185 38.000 0.178 0.000 1.419 468 I HN 0.600 nan 8.210 nan 0.000 0.533 469 D N 5.104 125.649 120.400 0.243 0.000 2.811 469 D HA -0.165 4.475 4.640 -0.001 0.000 0.231 469 D C 0.669 176.983 176.300 0.024 0.000 1.157 469 D CA 1.611 55.656 54.000 0.074 0.000 0.716 469 D CB -0.634 40.090 40.800 -0.127 0.000 1.077 469 D HN 1.159 nan 8.370 nan 0.000 0.428 470 G N -1.029 107.797 108.800 0.044 0.000 2.428 470 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.202 470 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.202 470 G C -1.098 173.807 174.900 0.008 0.000 1.247 470 G CA -0.182 44.929 45.100 0.019 0.000 1.020 470 G HN 0.231 nan 8.290 nan 0.000 0.529 471 D N 1.143 121.538 120.400 -0.009 0.000 2.225 471 D HA 0.546 5.186 4.640 -0.001 0.000 0.249 471 D C 0.727 177.014 176.300 -0.021 0.000 1.052 471 D CA 1.327 55.313 54.000 -0.023 0.000 0.909 471 D CB 1.193 41.972 40.800 -0.035 0.000 1.186 471 D HN 2.055 nan 8.370 nan 0.000 0.431 472 G N 1.591 110.375 108.800 -0.028 0.000 2.897 472 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.436 472 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.436 472 G C -0.784 174.086 174.900 -0.050 0.000 1.079 472 G CA -0.821 44.261 45.100 -0.030 0.000 1.090 472 G HN 0.413 nan 8.290 nan 0.000 0.480 473 N N -0.289 118.371 118.700 -0.067 0.000 2.380 473 N HA 0.882 5.622 4.740 -0.001 0.000 0.290 473 N C -0.208 175.174 175.510 -0.213 0.000 1.236 473 N CA -0.349 52.624 53.050 -0.128 0.000 0.780 473 N CB 2.240 40.699 38.487 -0.047 0.000 1.438 473 N HN 0.489 nan 8.380 nan 0.000 0.491 474 S N -0.606 114.810 115.700 -0.473 0.000 2.685 474 S HA 0.944 5.414 4.470 -0.001 0.000 0.282 474 S C -1.213 173.132 174.600 -0.426 0.000 1.159 474 S CA -0.692 57.197 58.200 -0.519 0.000 0.833 474 S CB 2.033 64.722 63.200 -0.852 0.000 1.151 474 S HN 0.710 nan 8.310 nan 0.000 0.485 475 A N 0.230 123.025 122.820 -0.042 0.000 2.515 475 A HA 1.000 5.320 4.320 -0.001 0.000 0.296 475 A C -1.111 176.443 177.584 -0.051 0.000 1.094 475 A CA -0.569 51.609 52.037 0.235 0.000 0.718 475 A CB 1.545 20.888 19.000 0.571 0.000 1.307 475 A HN 1.416 nan 8.150 nan 0.000 0.408 476 A N -0.235 122.497 122.820 -0.146 0.000 2.594 476 A HA 0.864 5.183 4.320 -0.001 0.000 0.295 476 A C -0.366 177.043 177.584 -0.291 0.000 1.071 476 A CA 0.046 51.748 52.037 -0.560 0.000 0.685 476 A CB 1.038 19.985 19.000 -0.089 0.000 1.285 476 A HN 2.460 nan 8.150 nan 0.000 0.405 477 A N 0.015 122.659 122.820 -0.294 0.000 2.306 477 A HA 0.601 4.921 4.320 -0.001 0.000 0.314 477 A C -0.318 177.177 177.584 -0.149 0.000 1.164 477 A CA -0.306 51.661 52.037 -0.116 0.000 0.822 477 A CB 0.118 19.179 19.000 0.102 0.000 1.130 477 A HN 1.245 nan 8.150 nan 0.000 0.496 478 C N 2.376 121.550 119.300 -0.210 0.000 2.322 478 C HA 0.596 5.056 4.460 -0.001 0.000 0.324 478 C C -0.855 174.031 174.990 -0.172 0.000 1.249 478 C CA -0.848 58.084 59.018 -0.144 0.000 1.453 478 C CB 0.296 27.979 27.740 -0.095 0.000 2.145 478 C HN 0.788 nan 8.230 nan 0.000 0.466 479 D N 2.321 122.632 120.400 -0.149 0.000 2.408 479 D HA 0.469 5.108 4.640 -0.001 0.000 0.243 479 D C -0.184 176.001 176.300 -0.191 0.000 1.075 479 D CA 0.131 54.030 54.000 -0.168 0.000 0.832 479 D CB 2.078 42.789 40.800 -0.149 0.000 1.162 479 D HN 0.686 nan 8.370 nan 0.000 0.515 480 A N 3.155 125.873 122.820 -0.169 0.000 2.454 480 A HA 0.317 4.637 4.320 -0.001 0.000 0.260 480 A C 0.204 177.649 177.584 -0.232 0.000 1.106 480 A CA 0.188 52.121 52.037 -0.173 0.000 0.780 480 A CB 0.299 19.207 19.000 -0.152 0.000 1.044 480 A HN 0.420 nan 8.150 nan 0.000 0.498 481 K N 1.992 122.196 120.400 -0.327 0.000 2.464 481 K HA 0.414 4.734 4.320 -0.001 0.000 0.253 481 K C -0.568 175.990 176.600 -0.070 0.000 0.933 481 K CA -0.580 55.543 56.287 -0.274 0.000 0.801 481 K CB 2.201 34.457 32.500 -0.407 0.000 1.271 481 K HN 0.674 nan 8.250 nan 0.000 0.430 482 S N 0.942 116.677 115.700 0.057 0.000 2.573 482 S HA -0.027 4.443 4.470 -0.001 0.000 0.277 482 S C 0.384 175.179 174.600 0.324 0.000 1.346 482 S CA -0.235 58.087 58.200 0.202 0.000 1.034 482 S CB 0.996 64.273 63.200 0.129 0.000 0.879 482 S HN 0.605 nan 8.310 nan 0.000 0.528 483 S N 2.635 118.556 115.700 0.369 0.000 2.558 483 S HA 0.054 4.524 4.470 -0.001 0.000 0.291 483 S C -1.151 173.577 174.600 0.214 0.000 1.306 483 S CA -1.048 57.349 58.200 0.328 0.000 1.056 483 S CB 0.259 63.619 63.200 0.268 0.000 0.836 483 S HN 0.559 nan 8.310 nan 0.000 0.504 484 P HA 0.023 nan 4.420 nan 0.000 0.233 484 P C -0.353 176.853 177.300 -0.157 0.000 1.167 484 P CA 0.570 63.637 63.100 -0.055 0.000 0.770 484 P CB -0.093 31.506 31.700 -0.168 0.000 0.837 485 Y N 2.622 122.945 120.300 0.037 0.000 2.425 485 Y HA 0.193 4.742 4.550 -0.001 0.000 0.331 485 Y C -1.375 174.542 175.900 0.028 0.000 1.157 485 Y CA -2.274 55.839 58.100 0.022 0.000 1.372 485 Y CB -0.301 38.164 38.460 0.008 0.000 1.253 485 Y HN 0.016 nan 8.280 nan 0.000 0.536 486 P HA 0.053 nan 4.420 nan 0.000 0.276 486 P C -0.659 176.692 177.300 0.084 0.000 1.244 486 P CA -0.572 62.582 63.100 0.091 0.000 0.801 486 P CB 1.118 32.853 31.700 0.058 0.000 1.006 487 L N 1.578 122.837 121.223 0.059 0.000 2.593 487 L HA 0.155 4.495 4.340 -0.001 0.000 0.287 487 L C 1.457 178.326 176.870 -0.001 0.000 1.243 487 L CA 2.342 57.201 54.840 0.032 0.000 0.890 487 L CB -1.143 40.934 42.059 0.030 0.000 1.134 487 L HN 0.870 nan 8.230 nan 0.000 0.502 488 G N 2.166 110.937 108.800 -0.049 0.000 2.179 488 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.260 488 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.260 488 G C 0.309 175.176 174.900 -0.056 0.000 0.977 488 G CA 0.434 45.485 45.100 -0.082 0.000 0.641 488 G HN 1.236 nan 8.290 nan 0.000 0.533 489 S N 0.199 115.890 115.700 -0.016 0.000 2.603 489 S HA 0.600 5.069 4.470 -0.001 0.000 0.268 489 S C -0.823 173.747 174.600 -0.050 0.000 1.317 489 S CA -0.565 57.635 58.200 -0.001 0.000 1.012 489 S CB 2.074 65.322 63.200 0.079 0.000 0.926 489 S HN -0.008 nan 8.310 nan 0.000 0.539 490 P HA -0.068 nan 4.420 nan 0.000 0.219 490 P C 0.734 177.961 177.300 -0.123 0.000 1.146 490 P CA 1.148 64.196 63.100 -0.087 0.000 0.808 490 P CB 0.003 31.652 31.700 -0.084 0.000 0.779 491 E N -1.822 118.259 120.200 -0.198 0.000 2.371 491 E HA -0.020 4.330 4.350 -0.001 0.000 0.194 491 E C 0.701 177.222 176.600 -0.132 0.000 1.012 491 E CA 0.603 56.821 56.400 -0.304 0.000 0.860 491 E CB -0.292 28.903 29.700 -0.841 0.000 0.811 491 E HN 0.091 nan 8.360 nan 0.000 0.502 492 N N -0.424 118.253 118.700 -0.038 0.000 2.639 492 N HA 0.071 4.810 4.740 -0.001 0.000 0.265 492 N C 0.146 175.671 175.510 0.024 0.000 1.689 492 N CA -0.008 53.068 53.050 0.043 0.000 0.813 492 N CB 0.010 38.569 38.487 0.119 0.000 1.353 492 N HN -0.070 nan 8.380 nan 0.000 0.510 493 M N 0.331 119.917 119.600 -0.024 0.000 2.082 493 M HA -0.043 4.437 4.480 -0.001 0.000 0.258 493 M C 0.206 176.325 176.300 -0.302 0.000 1.069 493 M CA 2.049 57.230 55.300 -0.199 0.000 1.102 493 M CB -0.309 32.105 32.600 -0.310 0.000 1.336 493 M HN 0.369 nan 8.290 nan 0.000 0.404 494 Y N -0.617 119.697 120.300 0.024 0.000 2.485 494 Y HA 0.447 4.996 4.550 -0.001 0.000 0.260 494 Y C 1.483 177.410 175.900 0.045 0.000 1.173 494 Y CA 0.089 58.207 58.100 0.030 0.000 1.252 494 Y CB -0.338 38.137 38.460 0.025 0.000 1.123 494 Y HN 0.453 nan 8.280 nan 0.000 0.524 495 G N 1.354 110.244 108.800 0.149 0.000 2.168 495 G HA2 -0.387 3.573 3.960 -0.001 0.000 0.257 495 G HA3 -0.387 3.573 3.960 -0.001 0.000 0.257 495 G C 0.975 175.969 174.900 0.156 0.000 0.997 495 G CA 0.762 45.941 45.100 0.131 0.000 0.708 495 G HN 0.567 nan 8.290 nan 0.000 0.520 496 N N 0.054 118.860 118.700 0.176 0.000 2.325 496 N HA 0.386 5.126 4.740 -0.001 0.000 0.182 496 N C 1.065 176.710 175.510 0.225 0.000 1.088 496 N CA 0.737 53.901 53.050 0.190 0.000 0.879 496 N CB -0.025 38.555 38.487 0.155 0.000 0.983 496 N HN 1.004 nan 8.380 nan 0.000 0.471 497 A N 0.947 123.873 122.820 0.177 0.000 2.511 497 A HA 0.438 4.757 4.320 -0.001 0.000 0.242 497 A C -0.401 177.352 177.584 0.281 0.000 1.069 497 A CA -0.215 51.906 52.037 0.140 0.000 0.763 497 A CB -0.494 18.572 19.000 0.110 0.000 1.001 497 A HN 0.478 nan 8.150 nan 0.000 0.498 498 F N 0.466 120.507 119.950 0.151 0.000 2.693 498 F HA 0.757 5.284 4.527 -0.001 0.000 0.309 498 F C -1.054 174.888 175.800 0.237 0.000 1.129 498 F CA -1.456 56.655 58.000 0.184 0.000 0.948 498 F CB 0.914 39.956 39.000 0.070 0.000 1.315 498 F HN 0.792 nan 8.300 nan 0.000 0.447 499 Y N -0.680 119.778 120.300 0.265 0.000 2.728 499 Y HA 0.778 5.327 4.550 -0.001 0.000 0.330 499 Y C -1.439 174.562 175.900 0.169 0.000 1.234 499 Y CA -1.768 56.404 58.100 0.120 0.000 1.070 499 Y CB 1.051 39.539 38.460 0.046 0.000 1.300 499 Y HN 0.814 nan 8.280 nan 0.000 0.467 500 S N 0.978 116.726 115.700 0.080 0.000 2.438 500 S HA 0.255 4.724 4.470 -0.001 0.000 0.316 500 S C -0.920 173.675 174.600 -0.008 0.000 1.084 500 S CA -0.608 57.565 58.200 -0.045 0.000 1.107 500 S CB 0.119 63.337 63.200 0.030 0.000 0.981 500 S HN 0.712 nan 8.310 nan 0.000 0.466 501 E N 4.301 124.403 120.200 -0.163 0.000 2.152 501 E HA 0.195 4.545 4.350 -0.001 0.000 0.285 501 E C -0.531 176.062 176.600 -0.011 0.000 1.043 501 E CA -0.391 56.015 56.400 0.010 0.000 0.839 501 E CB 0.490 30.173 29.700 -0.028 0.000 1.069 501 E HN 0.523 nan 8.360 nan 0.000 0.399 502 K N 3.683 124.089 120.400 0.010 0.000 2.263 502 K HA 0.213 4.532 4.320 -0.001 0.000 0.272 502 K C -1.183 175.407 176.600 -0.017 0.000 1.033 502 K CA -0.379 55.882 56.287 -0.043 0.000 0.884 502 K CB 1.168 33.611 32.500 -0.094 0.000 1.107 502 K HN 0.336 nan 8.250 nan 0.000 0.460 503 T N 3.512 118.054 114.554 -0.021 0.000 2.853 503 T HA 0.141 4.491 4.350 -0.001 0.000 0.317 503 T C -0.516 174.158 174.700 -0.044 0.000 1.059 503 T CA -0.425 61.694 62.100 0.032 0.000 0.954 503 T CB 1.017 69.955 68.868 0.117 0.000 0.994 503 T HN 0.490 nan 8.240 nan 0.000 0.479 504 T N 4.653 119.221 114.554 0.023 0.000 2.851 504 T HA 0.283 4.633 4.350 -0.001 0.000 0.298 504 T C 0.123 174.923 174.700 0.168 0.000 0.977 504 T CA -0.292 61.840 62.100 0.053 0.000 1.126 504 T CB -0.116 68.873 68.868 0.202 0.000 0.916 504 T HN 0.257 nan 8.240 nan 0.000 0.529 505 F N 3.122 123.198 119.950 0.210 0.000 2.472 505 F HA 0.281 4.807 4.527 -0.001 0.000 0.364 505 F C 1.473 177.343 175.800 0.116 0.000 1.090 505 F CA -1.049 57.041 58.000 0.150 0.000 1.188 505 F CB 0.361 39.452 39.000 0.152 0.000 1.105 505 F HN 0.564 nan 8.300 nan 0.000 0.536 506 K N 0.661 121.230 120.400 0.282 0.000 2.168 506 K HA 0.057 4.376 4.320 -0.001 0.000 0.201 506 K C 0.783 177.465 176.600 0.137 0.000 1.049 506 K CA 0.984 57.376 56.287 0.175 0.000 0.974 506 K CB 0.211 32.791 32.500 0.133 0.000 0.792 506 K HN 0.717 nan 8.250 nan 0.000 0.463 507 T N -2.861 111.764 114.554 0.118 0.000 2.926 507 T HA 0.240 4.590 4.350 -0.001 0.000 0.289 507 T C 1.311 176.033 174.700 0.037 0.000 1.054 507 T CA -0.930 61.213 62.100 0.072 0.000 1.015 507 T CB 1.724 70.621 68.868 0.048 0.000 1.167 507 T HN -0.221 nan 8.240 nan 0.000 0.526 508 V N 1.370 121.294 119.914 0.016 0.000 2.278 508 V HA -0.217 3.902 4.120 -0.001 0.000 0.251 508 V C 2.873 178.906 176.094 -0.102 0.000 1.062 508 V CA 2.501 64.784 62.300 -0.027 0.000 1.038 508 V CB -0.906 30.915 31.823 -0.004 0.000 0.646 508 V HN 1.045 nan 8.190 nan 0.000 0.447 509 K N -0.261 120.095 120.400 -0.074 0.000 2.113 509 K HA -0.259 4.061 4.320 -0.001 0.000 0.208 509 K C 1.795 178.304 176.600 -0.153 0.000 1.047 509 K CA 1.953 58.178 56.287 -0.104 0.000 0.928 509 K CB -0.278 32.192 32.500 -0.050 0.000 0.716 509 K HN 0.526 nan 8.250 nan 0.000 0.446 510 D N 0.059 120.389 120.400 -0.117 0.000 2.178 510 D HA -0.131 4.509 4.640 -0.001 0.000 0.201 510 D C 1.925 177.903 176.300 -0.537 0.000 0.980 510 D CA 1.555 55.483 54.000 -0.120 0.000 0.842 510 D CB -0.106 40.754 40.800 0.100 0.000 0.948 510 D HN 0.368 nan 8.370 nan 0.000 0.472 511 S N 0.085 115.296 115.700 -0.814 0.000 2.461 511 S HA -0.041 4.428 4.470 -0.001 0.000 0.228 511 S C 1.232 175.351 174.600 -0.801 0.000 1.005 511 S CA -0.056 57.232 58.200 -1.520 0.000 0.942 511 S CB -0.467 62.247 63.200 -0.810 0.000 0.776 511 S HN 0.161 nan 8.310 nan 0.000 0.514 512 L N 3.687 124.594 121.223 -0.526 0.000 2.536 512 L HA 0.307 4.647 4.340 -0.001 0.000 0.282 512 L C 0.169 176.867 176.870 -0.287 0.000 1.147 512 L CA -0.199 54.309 54.840 -0.554 0.000 0.936 512 L CB -0.627 40.926 42.059 -0.844 0.000 1.279 512 L HN 0.381 nan 8.230 nan 0.000 0.461 513 T N -1.013 113.540 114.554 -0.000 0.000 2.900 513 T HA 0.520 4.870 4.350 -0.001 0.000 0.303 513 T C -0.457 174.526 174.700 0.472 0.000 1.142 513 T CA -1.102 61.173 62.100 0.293 0.000 1.007 513 T CB 2.332 71.480 68.868 0.467 0.000 1.156 513 T HN 0.190 nan 8.240 nan 0.000 0.490 514 N N 0.181 119.166 118.700 0.474 0.000 2.404 514 N HA 0.372 5.111 4.740 -0.001 0.000 0.297 514 N C -1.122 174.766 175.510 0.630 0.000 1.163 514 N CA -0.677 52.673 53.050 0.500 0.000 0.864 514 N CB 1.154 39.823 38.487 0.304 0.000 1.247 514 N HN 0.765 nan 8.380 nan 0.000 0.510 515 Y N 1.001 121.669 120.300 0.613 0.000 2.702 515 Y HA -0.014 4.535 4.550 -0.001 0.000 0.336 515 Y C -0.180 175.849 175.900 0.215 0.000 1.235 515 Y CA 0.644 59.025 58.100 0.469 0.000 1.492 515 Y CB 0.484 39.231 38.460 0.479 0.000 1.308 515 Y HN 0.303 nan 8.280 nan 0.000 0.589 516 E N 3.584 123.233 120.200 -0.918 0.000 2.255 516 E HA 0.134 4.483 4.350 -0.001 0.000 0.256 516 E C 0.433 176.495 176.600 -0.896 0.000 0.887 516 E CA 0.048 56.060 56.400 -0.646 0.000 0.782 516 E CB 1.615 31.132 29.700 -0.305 0.000 1.214 516 E HN 0.790 nan 8.360 nan 0.000 0.417 517 S N 1.719 117.082 115.700 -0.561 0.000 2.399 517 S HA -0.175 4.294 4.470 -0.001 0.000 0.231 517 S C 1.873 176.376 174.600 -0.163 0.000 1.022 517 S CA 1.008 59.071 58.200 -0.229 0.000 0.983 517 S CB -0.106 63.104 63.200 0.016 0.000 0.803 517 S HN 0.484 nan 8.310 nan 0.000 0.480 518 A N 1.814 124.540 122.820 -0.157 0.000 2.076 518 A HA -0.015 4.305 4.320 -0.001 0.000 0.220 518 A C 2.267 179.772 177.584 -0.131 0.000 1.160 518 A CA 1.826 53.796 52.037 -0.112 0.000 0.653 518 A CB -0.963 17.984 19.000 -0.088 0.000 0.801 518 A HN 0.807 nan 8.150 nan 0.000 0.455 519 T N -5.454 108.993 114.554 -0.178 0.000 3.091 519 T HA 0.434 4.784 4.350 -0.001 0.000 0.277 519 T C 1.046 175.645 174.700 -0.168 0.000 0.996 519 T CA 0.866 62.862 62.100 -0.173 0.000 0.897 519 T CB -0.075 68.687 68.868 -0.177 0.000 1.109 519 T HN 1.625 nan 8.240 nan 0.000 0.534 520 G N 2.844 111.552 108.800 -0.154 0.000 2.395 520 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.300 520 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.300 520 G C 0.016 174.894 174.900 -0.038 0.000 0.998 520 G CA 0.334 45.412 45.100 -0.036 0.000 1.046 520 G HN 0.938 nan 8.290 nan 0.000 0.513 521 R N 0.037 120.414 120.500 -0.206 0.000 2.585 521 R HA 0.382 4.722 4.340 -0.001 0.000 0.275 521 R C 0.862 177.029 176.300 -0.223 0.000 1.018 521 R CA 0.717 56.637 56.100 -0.300 0.000 1.072 521 R CB 0.279 30.270 30.300 -0.515 0.000 0.953 521 R HN 0.582 nan 8.270 nan 0.000 0.419 522 S N 3.839 119.352 115.700 -0.311 0.000 2.709 522 S HA 0.597 5.066 4.470 -0.001 0.000 0.302 522 S C -1.078 173.349 174.600 -0.288 0.000 1.127 522 S CA -1.008 57.089 58.200 -0.171 0.000 0.905 522 S CB 1.385 64.599 63.200 0.023 0.000 1.151 522 S HN 0.634 nan 8.310 nan 0.000 0.510 523 W N 0.605 122.009 121.300 0.173 0.000 2.785 523 W HA 0.404 5.063 4.660 -0.001 0.000 0.333 523 W C -1.319 175.289 176.519 0.147 0.000 1.062 523 W CA -0.483 56.995 57.345 0.222 0.000 1.233 523 W CB 2.030 31.756 29.460 0.444 0.000 1.413 523 W HN 0.614 nan 8.180 nan 0.000 0.489 524 D N 2.278 122.888 120.400 0.351 0.000 2.163 524 D HA 0.505 5.144 4.640 -0.001 0.000 0.248 524 D C -0.333 176.210 176.300 0.405 0.000 1.035 524 D CA -0.270 53.911 54.000 0.302 0.000 0.872 524 D CB 2.046 42.970 40.800 0.206 0.000 1.183 524 D HN 0.093 nan 8.370 nan 0.000 0.445 525 I N 3.001 123.763 120.570 0.320 0.000 2.389 525 I HA 0.423 4.592 4.170 -0.001 0.000 0.288 525 I C -0.575 175.757 176.117 0.359 0.000 0.999 525 I CA -0.922 60.544 61.300 0.275 0.000 1.129 525 I CB 0.545 38.612 38.000 0.110 0.000 1.288 525 I HN 0.226 nan 8.210 nan 0.000 0.444 526 F N 3.259 123.289 119.950 0.133 0.000 2.664 526 F HA 0.518 5.044 4.527 -0.001 0.000 0.317 526 F C -1.012 174.845 175.800 0.095 0.000 1.108 526 F CA -1.264 56.807 58.000 0.118 0.000 0.957 526 F CB 1.510 40.561 39.000 0.085 0.000 1.365 526 F HN 0.300 nan 8.300 nan 0.000 0.475 527 N N 2.445 121.289 118.700 0.239 0.000 2.546 527 N HA 0.388 5.127 4.740 -0.001 0.000 0.238 527 N C -2.063 173.552 175.510 0.176 0.000 0.984 527 N CA -2.161 50.948 53.050 0.098 0.000 0.935 527 N CB 1.336 39.870 38.487 0.078 0.000 1.122 527 N HN 0.398 nan 8.380 nan 0.000 0.510 528 P HA -0.038 nan 4.420 nan 0.000 0.237 528 P C -0.086 177.276 177.300 0.104 0.000 1.178 528 P CA 0.729 63.957 63.100 0.214 0.000 0.766 528 P CB 0.312 32.115 31.700 0.172 0.000 0.876 529 N N -0.010 118.724 118.700 0.056 0.000 2.412 529 N HA 0.040 4.779 4.740 -0.001 0.000 0.184 529 N C 0.583 176.102 175.510 0.015 0.000 1.101 529 N CA 0.614 53.680 53.050 0.027 0.000 0.881 529 N CB 0.439 38.931 38.487 0.009 0.000 0.969 529 N HN 0.358 nan 8.380 nan 0.000 0.459 530 K N 0.325 120.738 120.400 0.021 0.000 2.400 530 K HA 0.624 4.944 4.320 -0.001 0.000 0.246 530 K C -1.007 175.589 176.600 -0.007 0.000 0.995 530 K CA -0.713 55.567 56.287 -0.012 0.000 0.840 530 K CB 3.081 35.554 32.500 -0.046 0.000 1.293 530 K HN -0.321 nan 8.250 nan 0.000 0.445 531 V N 1.245 121.138 119.914 -0.034 0.000 2.686 531 V HA 0.201 4.320 4.120 -0.001 0.000 0.306 531 V C -0.589 175.473 176.094 -0.054 0.000 1.065 531 V CA -1.162 61.118 62.300 -0.033 0.000 0.894 531 V CB 1.833 33.642 31.823 -0.023 0.000 1.004 531 V HN 0.746 nan 8.190 nan 0.000 0.424 532 N N 6.276 124.952 118.700 -0.041 0.000 2.452 532 N HA 0.147 4.887 4.740 -0.001 0.000 0.266 532 N C -1.507 173.989 175.510 -0.024 0.000 1.175 532 N CA -1.252 51.773 53.050 -0.040 0.000 0.945 532 N CB 2.013 40.528 38.487 0.047 0.000 1.063 532 N HN 0.383 nan 8.380 nan 0.000 0.472 533 P HA -0.092 nan 4.420 nan 0.000 0.226 533 P C 0.543 177.929 177.300 0.142 0.000 1.153 533 P CA 1.026 64.112 63.100 -0.023 0.000 0.777 533 P CB 0.201 31.838 31.700 -0.106 0.000 0.794 534 Y N 1.378 121.684 120.300 0.010 0.000 2.190 534 Y HA -0.030 4.519 4.550 -0.001 0.000 0.290 534 Y C 2.901 178.816 175.900 0.025 0.000 1.115 534 Y CA 1.055 59.163 58.100 0.014 0.000 1.107 534 Y CB -1.458 37.011 38.460 0.016 0.000 1.033 534 Y HN 0.053 nan 8.280 nan 0.000 0.502 535 S N -1.031 114.812 115.700 0.239 0.000 2.461 535 S HA 0.174 4.644 4.470 -0.001 0.000 0.228 535 S C 1.885 176.526 174.600 0.068 0.000 1.005 535 S CA 0.739 59.043 58.200 0.173 0.000 0.942 535 S CB -0.366 63.032 63.200 0.330 0.000 0.776 535 S HN 0.674 nan 8.310 nan 0.000 0.514 536 G N 0.939 109.767 108.800 0.047 0.000 2.179 536 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.260 536 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.260 536 G C -0.021 174.838 174.900 -0.069 0.000 0.977 536 G CA 0.388 45.483 45.100 -0.007 0.000 0.641 536 G HN 0.520 nan 8.290 nan 0.000 0.533 537 K N 0.827 121.150 120.400 -0.130 0.000 2.123 537 K HA 0.566 4.886 4.320 -0.001 0.000 0.248 537 K C -2.359 174.148 176.600 -0.156 0.000 0.969 537 K CA -2.281 53.845 56.287 -0.269 0.000 0.882 537 K CB 1.625 33.686 32.500 -0.732 0.000 1.080 537 K HN 0.126 nan 8.250 nan 0.000 0.441 538 P HA 0.159 nan 4.420 nan 0.000 0.274 538 P C -2.522 174.812 177.300 0.057 0.000 1.231 538 P CA -1.432 61.671 63.100 0.005 0.000 0.790 538 P CB -0.326 31.453 31.700 0.131 0.000 0.951 539 P HA 0.048 nan 4.420 nan 0.000 0.271 539 P C -0.291 177.184 177.300 0.293 0.000 1.216 539 P CA 0.427 63.598 63.100 0.118 0.000 0.771 539 P CB 0.449 32.089 31.700 -0.100 0.000 0.864 540 S N 2.270 118.179 115.700 0.348 0.000 2.579 540 S HA 0.586 5.055 4.470 -0.001 0.000 0.272 540 S C -1.596 173.161 174.600 0.262 0.000 1.141 540 S CA -0.674 57.733 58.200 0.346 0.000 0.843 540 S CB 1.065 64.422 63.200 0.262 0.000 1.122 540 S HN 0.234 nan 8.310 nan 0.000 0.468 541 Y N 1.151 121.505 120.300 0.090 0.000 2.352 541 Y HA 0.577 5.127 4.550 -0.001 0.000 0.339 541 Y C 0.281 176.223 175.900 0.071 0.000 0.992 541 Y CA -0.562 57.550 58.100 0.019 0.000 1.100 541 Y CB 1.810 40.247 38.460 -0.038 0.000 1.192 541 Y HN 0.821 nan 8.280 nan 0.000 0.458 542 K N 4.403 124.857 120.400 0.090 0.000 2.235 542 K HA 0.438 4.758 4.320 -0.001 0.000 0.266 542 K C -1.383 175.274 176.600 0.097 0.000 0.980 542 K CA -0.914 55.436 56.287 0.105 0.000 0.849 542 K CB 0.835 33.375 32.500 0.066 0.000 1.098 542 K HN 0.634 nan 8.250 nan 0.000 0.445 543 L N 5.781 127.074 121.223 0.116 0.000 2.315 543 L HA 0.227 4.567 4.340 -0.001 0.000 0.283 543 L C -1.326 175.643 176.870 0.166 0.000 1.089 543 L CA 0.054 54.940 54.840 0.076 0.000 0.833 543 L CB 1.054 43.111 42.059 -0.004 0.000 1.170 543 L HN 0.372 nan 8.230 nan 0.000 0.442 544 V N 5.015 124.977 119.914 0.080 0.000 2.313 544 V HA 0.612 4.732 4.120 -0.001 0.000 0.278 544 V C -0.088 176.032 176.094 0.043 0.000 1.017 544 V CA -0.254 62.094 62.300 0.081 0.000 0.823 544 V CB 0.998 32.845 31.823 0.039 0.000 1.010 544 V HN 0.842 nan 8.190 nan 0.000 0.443 545 S N 2.864 118.616 115.700 0.086 0.000 2.652 545 S HA 0.422 4.891 4.470 -0.001 0.000 0.273 545 S C 0.429 174.979 174.600 -0.083 0.000 1.172 545 S CA 0.213 58.446 58.200 0.056 0.000 1.009 545 S CB 1.728 65.028 63.200 0.167 0.000 1.094 545 S HN 0.937 nan 8.310 nan 0.000 0.471 546 T N 1.356 115.786 114.554 -0.207 0.000 2.975 546 T HA 0.291 4.641 4.350 -0.001 0.000 0.257 546 T C 0.392 174.958 174.700 -0.224 0.000 1.003 546 T CA -0.059 61.718 62.100 -0.540 0.000 0.932 546 T CB -0.109 68.523 68.868 -0.393 0.000 1.087 546 T HN 0.570 nan 8.240 nan 0.000 0.512 547 Q N 1.064 120.855 119.800 -0.015 0.000 2.837 547 Q HA 0.348 4.687 4.340 -0.001 0.000 0.235 547 Q C -0.922 175.192 176.000 0.190 0.000 1.348 547 Q CA -0.441 55.423 55.803 0.101 0.000 0.990 547 Q CB -0.358 28.462 28.738 0.137 0.000 1.570 547 Q HN 0.455 nan 8.270 nan 0.000 0.575 548 C N 2.924 122.325 119.300 0.168 0.000 3.188 548 C HA 0.343 4.803 4.460 -0.001 0.000 0.230 548 C C -2.160 172.963 174.990 0.222 0.000 1.239 548 C CA -1.775 57.385 59.018 0.237 0.000 1.494 548 C CB -0.366 27.585 27.740 0.352 0.000 1.798 548 C HN 0.556 nan 8.230 nan 0.000 0.458 549 P HA 0.264 nan 4.420 nan 0.000 0.274 549 P C -2.231 175.129 177.300 0.100 0.000 1.231 549 P CA -0.723 62.451 63.100 0.123 0.000 0.790 549 P CB 0.098 31.843 31.700 0.074 0.000 0.951 550 P HA 0.070 nan 4.420 nan 0.000 0.271 550 P C -0.620 176.672 177.300 -0.013 0.000 1.218 550 P CA -0.314 62.809 63.100 0.039 0.000 0.780 550 P CB 0.508 32.233 31.700 0.043 0.000 0.901 551 L N 3.291 124.474 121.223 -0.067 0.000 2.433 551 L HA 0.046 4.386 4.340 -0.001 0.000 0.275 551 L C 1.147 177.961 176.870 -0.092 0.000 1.128 551 L CA 0.397 55.169 54.840 -0.115 0.000 0.875 551 L CB -0.487 41.460 42.059 -0.186 0.000 1.171 551 L HN 0.335 nan 8.230 nan 0.000 0.463 552 L N 4.801 125.976 121.223 -0.079 0.000 2.209 552 L HA 0.171 4.511 4.340 -0.001 0.000 0.207 552 L C 1.401 178.228 176.870 -0.072 0.000 1.094 552 L CA 0.398 55.209 54.840 -0.049 0.000 0.790 552 L CB -0.444 41.605 42.059 -0.017 0.000 0.932 552 L HN 0.829 nan 8.230 nan 0.000 0.447 553 A N 0.680 123.433 122.820 -0.111 0.000 2.531 553 A HA 0.112 4.432 4.320 -0.001 0.000 0.236 553 A C 0.223 177.728 177.584 -0.131 0.000 1.062 553 A CA -0.035 51.922 52.037 -0.133 0.000 0.760 553 A CB 0.061 18.956 19.000 -0.175 0.000 0.995 553 A HN 0.057 nan 8.150 nan 0.000 0.501 554 K N 1.357 121.685 120.400 -0.121 0.000 2.219 554 K HA 0.182 4.502 4.320 -0.001 0.000 0.258 554 K C 0.276 176.801 176.600 -0.125 0.000 1.008 554 K CA 0.168 56.391 56.287 -0.106 0.000 0.928 554 K CB 0.359 32.806 32.500 -0.090 0.000 0.983 554 K HN 0.767 nan 8.250 nan 0.000 0.484 555 E N 0.305 120.439 120.200 -0.111 0.000 2.529 555 E HA -0.006 4.343 4.350 -0.001 0.000 0.259 555 E C 0.738 177.268 176.600 -0.117 0.000 0.966 555 E CA 1.099 57.430 56.400 -0.115 0.000 0.937 555 E CB 0.140 29.786 29.700 -0.089 0.000 0.923 555 E HN 0.789 nan 8.360 nan 0.000 0.468 556 G N 2.712 111.429 108.800 -0.138 0.000 2.199 556 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.254 556 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.254 556 G C 0.387 175.189 174.900 -0.162 0.000 0.982 556 G CA 0.349 45.364 45.100 -0.141 0.000 0.632 556 G HN 0.704 nan 8.290 nan 0.000 0.529 557 S N -0.099 115.496 115.700 -0.175 0.000 2.584 557 S HA 0.580 5.050 4.470 -0.001 0.000 0.270 557 S C 1.679 176.124 174.600 -0.257 0.000 1.346 557 S CA 0.018 58.100 58.200 -0.197 0.000 1.018 557 S CB 1.382 64.463 63.200 -0.199 0.000 0.899 557 S HN 0.458 nan 8.310 nan 0.000 0.542 558 L N 1.566 122.627 121.223 -0.272 0.000 2.021 558 L HA -0.155 4.184 4.340 -0.001 0.000 0.215 558 L C 2.644 179.243 176.870 -0.452 0.000 1.074 558 L CA 1.499 56.129 54.840 -0.349 0.000 0.760 558 L CB -0.708 41.163 42.059 -0.312 0.000 0.889 558 L HN 0.686 nan 8.230 nan 0.000 0.433 559 V N -0.223 119.396 119.914 -0.491 0.000 2.255 559 V HA -0.337 3.783 4.120 -0.001 0.000 0.247 559 V C 2.668 178.548 176.094 -0.356 0.000 1.051 559 V CA 2.002 64.038 62.300 -0.441 0.000 1.018 559 V CB -0.899 30.713 31.823 -0.350 0.000 0.641 559 V HN 0.539 nan 8.190 nan 0.000 0.445 560 A N -0.556 122.072 122.820 -0.320 0.000 1.972 560 A HA -0.219 4.101 4.320 -0.001 0.000 0.219 560 A C 2.256 179.653 177.584 -0.311 0.000 1.169 560 A CA 1.896 53.750 52.037 -0.305 0.000 0.635 560 A CB -0.394 18.459 19.000 -0.246 0.000 0.810 560 A HN 0.583 nan 8.150 nan 0.000 0.446 561 K N -0.694 119.504 120.400 -0.336 0.000 2.103 561 K HA -0.022 4.297 4.320 -0.001 0.000 0.204 561 K C 2.109 178.407 176.600 -0.503 0.000 1.052 561 K CA 1.190 57.240 56.287 -0.395 0.000 0.945 561 K CB -0.103 32.126 32.500 -0.452 0.000 0.722 561 K HN 0.356 nan 8.250 nan 0.000 0.443 562 R N 0.023 120.243 120.500 -0.465 0.000 2.240 562 R HA 0.108 4.448 4.340 -0.001 0.000 0.203 562 R C 0.395 176.660 176.300 -0.059 0.000 1.011 562 R CA 0.546 56.436 56.100 -0.350 0.000 1.007 562 R CB 0.445 30.634 30.300 -0.185 0.000 0.911 562 R HN -0.004 nan 8.270 nan 0.000 0.468 563 A N 1.490 124.154 122.820 -0.260 0.000 3.204 563 A HA 0.298 4.618 4.320 -0.001 0.000 0.327 563 A C -2.041 175.122 177.584 -0.702 0.000 0.998 563 A CA -1.253 50.450 52.037 -0.558 0.000 0.891 563 A CB 0.538 19.035 19.000 -0.838 0.000 1.061 563 A HN -0.074 nan 8.150 nan 0.000 0.478 564 P HA -0.166 nan 4.420 nan 0.000 0.219 564 P C 1.423 178.623 177.300 -0.168 0.000 1.146 564 P CA 1.052 64.032 63.100 -0.200 0.000 0.808 564 P CB -0.212 31.451 31.700 -0.062 0.000 0.779 565 W N 0.128 121.385 121.300 -0.072 0.000 2.519 565 W HA 0.221 4.881 4.660 -0.000 0.000 0.266 565 W C 1.497 178.016 176.519 -0.000 0.000 1.253 565 W CA 0.637 57.955 57.345 -0.045 0.000 1.274 565 W CB -1.703 27.714 29.460 -0.071 0.000 1.114 565 W HN -0.085 nan 8.180 nan 0.000 0.596 566 A N 0.964 123.351 122.820 -0.722 0.000 2.167 566 A HA -0.004 4.315 4.320 -0.001 0.000 0.214 566 A C 2.071 179.480 177.584 -0.291 0.000 1.151 566 A CA 1.292 52.943 52.037 -0.643 0.000 0.735 566 A CB -0.705 17.602 19.000 -1.156 0.000 0.802 566 A HN 0.201 nan 8.150 nan 0.000 0.467 567 S N -0.678 114.860 115.700 -0.270 0.000 2.489 567 S HA 0.037 4.507 4.470 -0.001 0.000 0.228 567 S C 0.108 174.440 174.600 -0.446 0.000 0.995 567 S CA 0.468 58.470 58.200 -0.330 0.000 0.934 567 S CB -0.229 62.751 63.200 -0.366 0.000 0.771 567 S HN 0.779 nan 8.310 nan 0.000 0.522 568 H N -1.214 117.859 119.070 0.005 0.000 2.768 568 H HA 0.402 4.957 4.556 -0.001 0.000 0.371 568 H C 0.715 176.101 175.328 0.098 0.000 1.151 568 H CA -0.514 55.568 56.048 0.058 0.000 1.165 568 H CB 1.446 31.229 29.762 0.035 0.000 1.722 568 H HN -0.122 nan 8.280 nan 0.000 0.543 569 S N 0.712 116.573 115.700 0.268 0.000 2.399 569 S HA -0.006 4.463 4.470 -0.001 0.000 0.231 569 S C 0.507 175.177 174.600 0.118 0.000 1.022 569 S CA 0.668 59.000 58.200 0.220 0.000 0.983 569 S CB 0.264 63.700 63.200 0.393 0.000 0.803 569 S HN 0.254 nan 8.310 nan 0.000 0.480 570 V N 2.576 122.502 119.914 0.020 0.000 2.709 570 V HA 0.419 4.538 4.120 -0.001 0.000 0.308 570 V C -1.026 174.954 176.094 -0.189 0.000 1.062 570 V CA -0.947 61.198 62.300 -0.259 0.000 0.901 570 V CB 2.026 33.436 31.823 -0.689 0.000 1.003 570 V HN 0.264 nan 8.190 nan 0.000 0.425 571 N N 3.226 121.808 118.700 -0.197 0.000 2.410 571 N HA 0.560 5.300 4.740 -0.001 0.000 0.287 571 N C -1.458 173.985 175.510 -0.112 0.000 1.044 571 N CA -0.331 52.649 53.050 -0.116 0.000 0.881 571 N CB 2.779 41.297 38.487 0.051 0.000 1.405 571 N HN 0.338 nan 8.380 nan 0.000 0.490 572 V N 2.068 121.904 119.914 -0.129 0.000 2.448 572 V HA 0.510 4.629 4.120 -0.001 0.000 0.295 572 V C 0.241 176.378 176.094 0.073 0.000 1.025 572 V CA -0.766 61.535 62.300 0.003 0.000 0.859 572 V CB 1.591 33.444 31.823 0.051 0.000 0.988 572 V HN 0.485 nan 8.190 nan 0.000 0.431 573 V N 3.263 123.263 119.914 0.145 0.000 3.001 573 V HA 0.788 4.908 4.120 -0.001 0.000 0.314 573 V C -2.910 173.239 176.094 0.092 0.000 1.099 573 V CA -3.068 59.303 62.300 0.118 0.000 0.989 573 V CB 2.153 34.072 31.823 0.160 0.000 1.040 573 V HN 0.620 nan 8.190 nan 0.000 0.434 574 P HA 0.150 nan 4.420 nan 0.000 0.269 574 P C -1.099 176.196 177.300 -0.008 0.000 1.209 574 P CA 0.204 63.331 63.100 0.045 0.000 0.776 574 P CB 0.016 31.732 31.700 0.027 0.000 0.876 575 Y N 3.258 123.524 120.300 -0.056 0.000 2.526 575 Y HA 0.195 4.745 4.550 -0.001 0.000 0.330 575 Y C 0.213 176.040 175.900 -0.122 0.000 1.156 575 Y CA 0.834 58.873 58.100 -0.102 0.000 1.419 575 Y CB 0.303 38.717 38.460 -0.077 0.000 1.250 575 Y HN 0.229 nan 8.280 nan 0.000 0.540 576 K N 3.946 123.735 120.400 -1.020 0.000 2.482 576 K HA 0.290 4.610 4.320 -0.001 0.000 0.257 576 K C -1.408 174.520 176.600 -1.120 0.000 0.969 576 K CA -0.780 55.055 56.287 -0.753 0.000 0.842 576 K CB 1.181 33.424 32.500 -0.428 0.000 1.359 576 K HN 0.585 nan 8.250 nan 0.000 0.441 577 D N 1.313 121.408 120.400 -0.508 0.000 2.399 577 D HA 0.006 4.646 4.640 -0.001 0.000 0.241 577 D C 0.223 176.330 176.300 -0.321 0.000 1.133 577 D CA 0.721 54.542 54.000 -0.297 0.000 0.890 577 D CB 0.484 41.260 40.800 -0.040 0.000 1.201 577 D HN 0.586 nan 8.370 nan 0.000 0.432 578 N N 0.898 119.434 118.700 -0.273 0.000 2.747 578 N HA -0.232 4.507 4.740 -0.001 0.000 0.249 578 N C -0.843 174.469 175.510 -0.330 0.000 1.107 578 N CA 0.445 53.335 53.050 -0.266 0.000 0.707 578 N CB -0.737 37.636 38.487 -0.191 0.000 1.054 578 N HN 0.357 nan 8.380 nan 0.000 0.555 579 R N 0.600 120.790 120.500 -0.516 0.000 3.171 579 R HA 0.267 4.606 4.340 -0.001 0.000 0.241 579 R C 1.023 176.983 176.300 -0.567 0.000 1.421 579 R CA -0.220 55.419 56.100 -0.769 0.000 1.444 579 R CB 0.221 29.689 30.300 -1.387 0.000 1.247 579 R HN 0.320 nan 8.270 nan 0.000 0.636 580 L N 0.495 121.491 121.223 -0.379 0.000 2.349 580 L HA 0.184 4.524 4.340 -0.001 0.000 0.200 580 L C -0.119 176.626 176.870 -0.210 0.000 1.064 580 L CA 0.536 55.061 54.840 -0.526 0.000 0.821 580 L CB 0.221 41.529 42.059 -1.252 0.000 1.027 580 L HN 0.336 nan 8.230 nan 0.000 0.476 581 Y N 0.891 121.365 120.300 0.290 0.000 2.402 581 Y HA 0.294 4.844 4.550 -0.001 0.000 0.332 581 Y C -1.691 174.231 175.900 0.036 0.000 0.960 581 Y CA -3.346 54.822 58.100 0.113 0.000 1.228 581 Y CB 0.173 38.607 38.460 -0.043 0.000 1.120 581 Y HN -0.069 nan 8.280 nan 0.000 0.491 582 P HA -0.028 nan 4.420 nan 0.000 0.233 582 P C 0.575 177.770 177.300 -0.175 0.000 1.167 582 P CA 0.821 63.676 63.100 -0.408 0.000 0.770 582 P CB 0.567 31.967 31.700 -0.499 0.000 0.837 583 S N -0.603 115.119 115.700 0.037 0.000 2.614 583 S HA 0.466 4.935 4.470 -0.001 0.000 0.230 583 S C 0.925 175.444 174.600 -0.134 0.000 0.952 583 S CA 0.345 58.640 58.200 0.158 0.000 0.949 583 S CB -0.404 63.023 63.200 0.379 0.000 0.786 583 S HN 0.499 nan 8.310 nan 0.000 0.478 584 G N 1.471 110.120 108.800 -0.253 0.000 2.707 584 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.686 584 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.686 584 G C -0.391 174.406 174.900 -0.171 0.000 1.315 584 G CA -0.384 44.517 45.100 -0.333 0.000 0.832 584 G HN 0.223 nan 8.290 nan 0.000 0.573 585 D N -0.101 120.177 120.400 -0.203 0.000 2.194 585 D HA 0.066 4.706 4.640 -0.001 0.000 0.204 585 D C 0.809 176.814 176.300 -0.492 0.000 0.964 585 D CA 1.348 55.182 54.000 -0.278 0.000 0.846 585 D CB 0.014 40.607 40.800 -0.345 0.000 0.962 585 D HN 0.478 nan 8.370 nan 0.000 0.490 586 H N 0.259 119.294 119.070 -0.058 0.000 2.792 586 H HA 0.254 4.810 4.556 -0.001 0.000 0.298 586 H C 0.865 176.173 175.328 -0.033 0.000 1.042 586 H CA -0.297 55.735 56.048 -0.026 0.000 1.300 586 H CB 1.694 31.453 29.762 -0.005 0.000 1.431 586 H HN -0.212 nan 8.280 nan 0.000 0.496 587 V N 3.919 123.874 119.914 0.069 0.000 2.379 587 V HA -0.003 4.116 4.120 -0.001 0.000 0.243 587 V C -1.640 174.553 176.094 0.166 0.000 1.035 587 V CA 0.429 62.792 62.300 0.105 0.000 1.035 587 V CB -0.926 30.925 31.823 0.047 0.000 0.673 587 V HN 0.456 nan 8.190 nan 0.000 0.457 588 P HA 0.027 nan 4.420 nan 0.000 0.261 588 P C 0.280 177.693 177.300 0.187 0.000 1.183 588 P CA 0.936 64.096 63.100 0.101 0.000 0.761 588 P CB 0.078 31.808 31.700 0.050 0.000 0.785 589 Q N -1.414 118.528 119.800 0.237 0.000 2.374 589 Q HA -0.226 4.113 4.340 -0.001 0.000 0.218 589 Q C -0.239 176.024 176.000 0.438 0.000 0.691 589 Q CA 0.472 56.481 55.803 0.343 0.000 1.340 589 Q CB -1.848 27.035 28.738 0.242 0.000 1.498 589 Q HN 0.524 nan 8.270 nan 0.000 0.739 590 W N 2.338 123.711 121.300 0.123 0.000 2.308 590 W HA 0.228 4.888 4.660 -0.000 0.000 0.324 590 W C 1.277 177.666 176.519 -0.218 0.000 1.387 590 W CA 0.320 57.669 57.345 0.005 0.000 1.250 590 W CB 0.489 29.940 29.460 -0.015 0.000 1.257 590 W HN 0.158 nan 8.180 nan 0.000 0.554 591 S N 3.623 118.860 115.700 -0.773 0.000 2.474 591 S HA 0.061 4.530 4.470 -0.001 0.000 0.235 591 S C 1.641 175.418 174.600 -1.371 0.000 0.997 591 S CA 0.882 58.180 58.200 -1.503 0.000 0.949 591 S CB -0.451 62.174 63.200 -0.958 0.000 0.766 591 S HN 1.702 nan 8.310 nan 0.000 0.517 592 G N 0.733 108.239 108.800 -2.158 0.000 2.175 592 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.244 592 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.244 592 G C -0.455 173.816 174.900 -1.049 0.000 0.982 592 G CA 0.109 43.967 45.100 -2.070 0.000 0.641 592 G HN 0.581 nan 8.290 nan 0.000 0.527 593 D N 1.162 121.183 120.400 -0.631 0.000 2.225 593 D HA 0.554 5.194 4.640 -0.001 0.000 0.248 593 D C 0.718 177.152 176.300 0.223 0.000 1.096 593 D CA 1.395 55.310 54.000 -0.142 0.000 0.863 593 D CB 1.357 42.087 40.800 -0.117 0.000 1.156 593 D HN 1.349 nan 8.370 nan 0.000 0.450 594 G N 0.204 109.123 108.800 0.199 0.000 2.362 594 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.656 594 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.656 594 G C -1.097 173.901 174.900 0.164 0.000 1.376 594 G CA -0.996 44.226 45.100 0.203 0.000 0.971 594 G HN 0.332 nan 8.290 nan 0.000 0.636 595 V N 2.204 122.149 119.914 0.052 0.000 2.284 595 V HA 0.650 4.770 4.120 -0.001 0.000 0.260 595 V C 0.751 176.792 176.094 -0.088 0.000 1.084 595 V CA 0.482 62.776 62.300 -0.010 0.000 0.894 595 V CB -0.181 31.635 31.823 -0.011 0.000 1.119 595 V HN 1.028 nan 8.190 nan 0.000 0.484 596 R N 2.817 123.213 120.500 -0.174 0.000 2.781 596 R HA 0.834 5.173 4.340 -0.001 0.000 0.269 596 R C 0.449 176.440 176.300 -0.515 0.000 1.025 596 R CA -0.109 55.787 56.100 -0.340 0.000 0.914 596 R CB 1.277 31.290 30.300 -0.478 0.000 1.236 596 R HN 0.786 nan 8.270 nan 0.000 0.465 597 G N 1.285 109.666 108.800 -0.698 0.000 2.582 597 G HA2 -0.435 3.524 3.960 -0.001 0.000 0.288 597 G HA3 -0.435 3.524 3.960 -0.001 0.000 0.288 597 G C 0.548 174.331 174.900 -1.862 0.000 1.247 597 G CA 0.848 45.242 45.100 -1.177 0.000 0.972 597 G HN 0.772 nan 8.290 nan 0.000 0.557 598 M N 0.513 119.297 119.600 -1.359 0.000 2.202 598 M HA 0.011 4.491 4.480 -0.001 0.000 0.262 598 M C 2.394 178.425 176.300 -0.449 0.000 1.063 598 M CA 2.764 57.548 55.300 -0.861 0.000 1.097 598 M CB -0.513 31.882 32.600 -0.341 0.000 1.382 598 M HN 0.617 nan 8.290 nan 0.000 0.413 599 R N -0.400 119.895 120.500 -0.341 0.000 2.081 599 R HA -0.187 4.152 4.340 -0.001 0.000 0.235 599 R C 2.234 178.438 176.300 -0.161 0.000 1.131 599 R CA 1.941 57.942 56.100 -0.165 0.000 0.960 599 R CB -0.362 29.897 30.300 -0.068 0.000 0.856 599 R HN 0.654 nan 8.270 nan 0.000 0.436 600 E N -0.438 119.599 120.200 -0.271 0.000 2.051 600 E HA -0.197 4.152 4.350 -0.001 0.000 0.192 600 E C 1.449 178.064 176.600 0.024 0.000 0.991 600 E CA 1.366 57.682 56.400 -0.140 0.000 0.799 600 E CB -0.093 29.507 29.700 -0.167 0.000 0.748 600 E HN 0.418 nan 8.360 nan 0.000 0.449 601 W N 0.555 121.807 121.300 -0.080 0.000 2.388 601 W HA -0.040 4.619 4.660 -0.001 0.000 0.294 601 W C 2.108 178.590 176.519 -0.061 0.000 1.212 601 W CA 0.241 57.536 57.345 -0.083 0.000 1.271 601 W CB -0.908 28.479 29.460 -0.122 0.000 1.126 601 W HN 0.176 nan 8.180 nan 0.000 0.535 602 I N 0.086 120.726 120.570 0.117 0.000 2.315 602 I HA -0.107 4.062 4.170 -0.001 0.000 0.248 602 I C 2.147 178.285 176.117 0.034 0.000 1.117 602 I CA 1.463 62.793 61.300 0.049 0.000 1.404 602 I CB -1.117 36.881 38.000 -0.003 0.000 1.071 602 I HN 0.090 nan 8.210 nan 0.000 0.419 603 G N 2.292 111.107 108.800 0.026 0.000 2.611 603 G HA2 -0.425 3.535 3.960 -0.001 0.000 0.301 603 G HA3 -0.425 3.535 3.960 -0.001 0.000 0.301 603 G C 0.498 175.404 174.900 0.009 0.000 1.233 603 G CA 0.683 45.795 45.100 0.020 0.000 0.993 603 G HN 0.535 nan 8.290 nan 0.000 0.553 604 D N 1.302 121.709 120.400 0.012 0.000 2.328 604 D HA 0.380 5.019 4.640 -0.001 0.000 0.226 604 D C 1.783 178.086 176.300 0.004 0.000 1.066 604 D CA 1.158 55.162 54.000 0.007 0.000 0.861 604 D CB -0.384 40.421 40.800 0.009 0.000 0.912 604 D HN 2.193 nan 8.370 nan 0.000 0.521 605 G N 0.307 109.110 108.800 0.004 0.000 2.179 605 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.260 605 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.260 605 G C 1.126 176.029 174.900 0.005 0.000 0.977 605 G CA 0.838 45.935 45.100 -0.005 0.000 0.641 605 G HN 0.713 nan 8.290 nan 0.000 0.533 606 S N -0.460 115.249 115.700 0.015 0.000 2.524 606 S HA 0.308 4.777 4.470 -0.001 0.000 0.216 606 S C 0.648 175.266 174.600 0.029 0.000 0.987 606 S CA 0.704 58.917 58.200 0.021 0.000 0.909 606 S CB 0.312 63.525 63.200 0.021 0.000 0.781 606 S HN 0.619 nan 8.310 nan 0.000 0.521 607 E N 2.456 122.675 120.200 0.031 0.000 2.392 607 E HA 0.162 4.511 4.350 -0.001 0.000 0.264 607 E C -0.296 176.331 176.600 0.045 0.000 1.024 607 E CA -0.417 56.005 56.400 0.037 0.000 0.903 607 E CB 0.244 29.967 29.700 0.038 0.000 0.963 607 E HN 0.378 nan 8.360 nan 0.000 0.432 608 N N 2.558 121.286 118.700 0.047 0.000 2.454 608 N HA -0.033 4.707 4.740 -0.001 0.000 0.260 608 N C 0.047 175.596 175.510 0.065 0.000 1.218 608 N CA 0.357 53.441 53.050 0.056 0.000 0.904 608 N CB 0.350 38.866 38.487 0.048 0.000 1.065 608 N HN 0.543 nan 8.380 nan 0.000 0.462 609 I N -1.690 118.930 120.570 0.084 0.000 4.102 609 I HA 0.416 4.585 4.170 -0.001 0.000 0.325 609 I C -0.287 175.883 176.117 0.089 0.000 1.471 609 I CA -0.525 60.833 61.300 0.097 0.000 1.133 609 I CB 0.259 38.337 38.000 0.129 0.000 1.184 609 I HN 0.244 nan 8.210 nan 0.000 0.451 610 D N 2.644 123.088 120.400 0.073 0.000 2.274 610 D HA 0.166 4.805 4.640 -0.001 0.000 0.239 610 D C 0.281 176.586 176.300 0.009 0.000 1.104 610 D CA 0.070 54.096 54.000 0.043 0.000 0.840 610 D CB 0.590 41.435 40.800 0.074 0.000 1.100 610 D HN 0.238 nan 8.370 nan 0.000 0.477 611 N N 2.471 121.145 118.700 -0.044 0.000 2.671 611 N HA -0.225 4.514 4.740 -0.001 0.000 0.261 611 N C -1.366 174.135 175.510 -0.014 0.000 1.053 611 N CA 1.223 54.248 53.050 -0.042 0.000 0.732 611 N CB -0.885 37.594 38.487 -0.013 0.000 0.887 611 N HN 0.527 nan 8.380 nan 0.000 0.546 612 T N -0.576 113.970 114.554 -0.012 0.000 2.648 612 T HA 0.317 4.666 4.350 -0.001 0.000 0.304 612 T C -1.877 172.827 174.700 0.008 0.000 1.312 612 T CA -0.577 61.527 62.100 0.006 0.000 1.023 612 T CB 0.684 69.568 68.868 0.026 0.000 1.612 612 T HN 0.077 nan 8.240 nan 0.000 0.487 613 D N 2.347 122.760 120.400 0.021 0.000 2.295 613 D HA 0.478 5.117 4.640 -0.001 0.000 0.248 613 D C 0.166 176.526 176.300 0.100 0.000 1.154 613 D CA 0.043 54.057 54.000 0.024 0.000 0.857 613 D CB 0.466 41.259 40.800 -0.011 0.000 1.117 613 D HN 0.627 nan 8.370 nan 0.000 0.468 614 I N -1.760 118.872 120.570 0.104 0.000 3.108 614 I HA 0.614 4.783 4.170 -0.001 0.000 0.312 614 I C -1.180 175.040 176.117 0.172 0.000 1.095 614 I CA -1.161 60.225 61.300 0.144 0.000 1.000 614 I CB 1.961 40.046 38.000 0.142 0.000 1.229 614 I HN 0.023 nan 8.210 nan 0.000 0.454 615 L N 2.766 124.095 121.223 0.177 0.000 2.385 615 L HA 0.501 4.841 4.340 -0.001 0.000 0.273 615 L C -1.512 175.494 176.870 0.226 0.000 0.990 615 L CA -0.485 54.442 54.840 0.145 0.000 0.821 615 L CB 2.388 44.531 42.059 0.139 0.000 1.279 615 L HN 0.538 nan 8.230 nan 0.000 0.412 616 F N 3.622 123.542 119.950 -0.050 0.000 2.382 616 F HA 0.536 5.063 4.527 -0.001 0.000 0.361 616 F C -1.140 174.605 175.800 -0.091 0.000 1.109 616 F CA -0.706 57.309 58.000 0.025 0.000 1.031 616 F CB 0.730 39.735 39.000 0.007 0.000 1.234 616 F HN 0.103 nan 8.300 nan 0.000 0.445 617 F N 5.313 125.309 119.950 0.076 0.000 2.388 617 F HA 0.293 4.820 4.527 -0.001 0.000 0.358 617 F C -0.262 175.627 175.800 0.148 0.000 1.122 617 F CA -0.642 57.442 58.000 0.140 0.000 1.056 617 F CB 0.825 39.896 39.000 0.117 0.000 1.155 617 F HN 0.436 nan 8.300 nan 0.000 0.461 618 H N 1.607 120.857 119.070 0.300 0.000 2.481 618 H HA 0.454 5.010 4.556 -0.001 0.000 0.333 618 H C -0.830 174.728 175.328 0.384 0.000 1.066 618 H CA -0.608 55.594 56.048 0.257 0.000 1.209 618 H CB 1.181 31.106 29.762 0.272 0.000 1.445 618 H HN 0.501 nan 8.280 nan 0.000 0.488 619 T N 7.507 122.061 114.554 0.000 0.000 2.744 619 T HA 0.408 4.757 4.350 -0.001 0.000 0.291 619 T C -0.817 173.822 174.700 -0.103 0.000 0.957 619 T CA -0.303 61.863 62.100 0.109 0.000 1.002 619 T CB -0.353 68.672 68.868 0.261 0.000 0.919 619 T HN 0.490 nan 8.240 nan 0.000 0.468 620 F N 0.349 120.238 119.950 -0.102 0.000 2.664 620 F HA 0.963 5.490 4.527 -0.001 0.000 0.317 620 F C 0.174 176.118 175.800 0.240 0.000 1.108 620 F CA -0.807 57.178 58.000 -0.026 0.000 0.957 620 F CB 1.101 40.046 39.000 -0.093 0.000 1.365 620 F HN 0.870 nan 8.300 nan 0.000 0.475 621 G N 0.421 109.342 108.800 0.201 0.000 2.373 621 G HA2 0.423 4.382 3.960 -0.001 0.000 0.250 621 G HA3 0.423 4.382 3.960 -0.001 0.000 0.250 621 G C -1.958 173.061 174.900 0.198 0.000 1.304 621 G CA -0.296 44.934 45.100 0.217 0.000 0.948 621 G HN 1.584 nan 8.290 nan 0.000 0.474 622 I N -2.969 117.709 120.570 0.179 0.000 3.095 622 I HA 0.864 5.033 4.170 -0.001 0.000 0.310 622 I C -0.742 175.405 176.117 0.049 0.000 1.196 622 I CA -1.020 60.347 61.300 0.113 0.000 0.985 622 I CB 2.330 40.383 38.000 0.088 0.000 1.250 622 I HN 0.482 nan 8.210 nan 0.000 0.446 623 T N 1.362 115.901 114.554 -0.025 0.000 2.786 623 T HA 0.340 4.689 4.350 -0.001 0.000 0.283 623 T C -1.048 173.480 174.700 -0.285 0.000 0.992 623 T CA -0.169 61.811 62.100 -0.200 0.000 0.954 623 T CB 0.143 68.906 68.868 -0.175 0.000 0.934 623 T HN 0.655 nan 8.240 nan 0.000 0.440 624 H N 2.986 121.683 119.070 -0.622 0.000 2.541 624 H HA 0.440 4.995 4.556 -0.001 0.000 0.316 624 H C -1.188 173.734 175.328 -0.676 0.000 1.043 624 H CA -1.117 54.604 56.048 -0.545 0.000 1.232 624 H CB 0.341 29.732 29.762 -0.618 0.000 1.406 624 H HN 0.433 nan 8.280 nan 0.000 0.469 625 F N 6.710 126.746 119.950 0.143 0.000 2.308 625 F HA 0.287 4.814 4.527 -0.000 0.000 0.370 625 F C -1.992 173.880 175.800 0.120 0.000 1.100 625 F CA -2.437 55.599 58.000 0.060 0.000 1.108 625 F CB 0.836 39.870 39.000 0.057 0.000 1.293 625 F HN 0.525 nan 8.300 nan 0.000 0.478 626 P HA 0.255 nan 4.420 nan 0.000 0.267 626 P C -0.712 176.692 177.300 0.172 0.000 1.200 626 P CA 0.012 63.178 63.100 0.110 0.000 0.772 626 P CB 0.829 32.529 31.700 0.001 0.000 0.855 627 A N 3.789 126.721 122.820 0.187 0.000 2.527 627 A HA 0.608 4.927 4.320 -0.001 0.000 0.293 627 A C -2.115 175.554 177.584 0.141 0.000 1.117 627 A CA -1.482 50.638 52.037 0.138 0.000 0.723 627 A CB 0.787 19.865 19.000 0.130 0.000 1.313 627 A HN 0.250 nan 8.150 nan 0.000 0.411 628 P HA -0.144 nan 4.420 nan 0.000 0.218 628 P C 0.757 178.163 177.300 0.176 0.000 1.146 628 P CA 1.475 64.666 63.100 0.152 0.000 0.813 628 P CB 0.265 32.036 31.700 0.120 0.000 0.778 629 E N -0.587 119.692 120.200 0.132 0.000 2.209 629 E HA -0.178 4.172 4.350 -0.001 0.000 0.196 629 E C 1.323 177.993 176.600 0.116 0.000 0.993 629 E CA 1.112 57.576 56.400 0.107 0.000 0.819 629 E CB -0.750 28.997 29.700 0.078 0.000 0.745 629 E HN 0.325 nan 8.360 nan 0.000 0.477 630 D N -1.066 119.435 120.400 0.169 0.000 2.363 630 D HA -0.007 4.633 4.640 -0.001 0.000 0.220 630 D C -0.312 176.118 176.300 0.216 0.000 0.994 630 D CA 0.441 54.552 54.000 0.186 0.000 0.890 630 D CB 0.111 41.079 40.800 0.280 0.000 0.906 630 D HN 0.057 nan 8.370 nan 0.000 0.530 631 F N 0.766 120.740 119.950 0.041 0.000 2.546 631 F HA 0.321 4.848 4.527 -0.000 0.000 0.320 631 F C -1.719 174.096 175.800 0.024 0.000 1.076 631 F CA -2.366 55.652 58.000 0.030 0.000 0.928 631 F CB 2.101 41.134 39.000 0.055 0.000 1.189 631 F HN -0.303 nan 8.300 nan 0.000 0.465 632 P HA 0.055 nan 4.420 nan 0.000 0.241 632 P C -0.722 176.228 177.300 -0.584 0.000 1.191 632 P CA 0.704 63.043 63.100 -1.267 0.000 0.771 632 P CB 0.655 31.884 31.700 -0.784 0.000 0.929 633 L N -0.354 120.639 121.223 -0.383 0.000 2.464 633 L HA 0.513 4.852 4.340 -0.001 0.000 0.266 633 L C -0.866 175.853 176.870 -0.252 0.000 0.965 633 L CA -1.313 53.257 54.840 -0.450 0.000 0.833 633 L CB 2.212 43.747 42.059 -0.874 0.000 1.296 633 L HN -0.250 nan 8.230 nan 0.000 0.405 634 M N 6.717 126.206 119.600 -0.185 0.000 2.144 634 M HA 0.526 5.006 4.480 -0.001 0.000 0.356 634 M C -2.253 173.977 176.300 -0.116 0.000 1.217 634 M CA -1.461 53.787 55.300 -0.085 0.000 1.087 634 M CB 1.265 33.855 32.600 -0.017 0.000 1.609 634 M HN 0.448 nan 8.290 nan 0.000 0.467 635 P HA 0.081 nan 4.420 nan 0.000 0.267 635 P C -1.182 176.061 177.300 -0.094 0.000 1.200 635 P CA -0.135 62.913 63.100 -0.087 0.000 0.772 635 P CB 0.430 32.095 31.700 -0.057 0.000 0.855 636 A N 2.327 125.088 122.820 -0.098 0.000 2.567 636 A HA 0.034 4.353 4.320 -0.001 0.000 0.240 636 A C 0.379 177.903 177.584 -0.101 0.000 1.053 636 A CA 0.327 52.303 52.037 -0.102 0.000 0.755 636 A CB -0.555 18.396 19.000 -0.082 0.000 0.978 636 A HN 0.607 nan 8.150 nan 0.000 0.507 637 E N 3.673 123.799 120.200 -0.124 0.000 2.145 637 E HA 0.474 4.824 4.350 -0.001 0.000 0.270 637 E C -2.657 173.883 176.600 -0.100 0.000 0.906 637 E CA -2.250 54.076 56.400 -0.123 0.000 0.761 637 E CB 1.656 31.248 29.700 -0.180 0.000 1.116 637 E HN 0.499 nan 8.360 nan 0.000 0.408 638 P HA 0.323 nan 4.420 nan 0.000 0.288 638 P C -0.722 176.555 177.300 -0.038 0.000 1.267 638 P CA -0.266 62.797 63.100 -0.061 0.000 0.815 638 P CB 1.257 32.919 31.700 -0.064 0.000 0.989 639 I N 0.785 121.336 120.570 -0.032 0.000 2.647 639 I HA 0.563 4.732 4.170 -0.001 0.000 0.295 639 I C 0.051 176.145 176.117 -0.038 0.000 1.078 639 I CA -0.553 60.754 61.300 0.011 0.000 1.048 639 I CB 2.610 40.652 38.000 0.070 0.000 1.239 639 I HN 0.269 nan 8.210 nan 0.000 0.421 640 T N 5.470 119.994 114.554 -0.051 0.000 2.889 640 T HA 0.793 5.143 4.350 -0.001 0.000 0.315 640 T C -1.784 172.801 174.700 -0.192 0.000 1.291 640 T CA -0.476 61.538 62.100 -0.143 0.000 1.028 640 T CB 1.559 70.357 68.868 -0.116 0.000 1.235 640 T HN 0.539 nan 8.240 nan 0.000 0.491 641 L N 1.206 122.258 121.223 -0.285 0.000 2.469 641 L HA 0.964 5.304 4.340 -0.001 0.000 0.256 641 L C -1.139 175.605 176.870 -0.210 0.000 1.006 641 L CA -1.043 53.641 54.840 -0.260 0.000 0.832 641 L CB 2.131 43.934 42.059 -0.426 0.000 1.421 641 L HN 0.806 nan 8.230 nan 0.000 0.410 642 M N 2.051 121.570 119.600 -0.135 0.000 2.501 642 M HA 0.724 5.203 4.480 -0.001 0.000 0.293 642 M C -2.140 174.137 176.300 -0.038 0.000 1.192 642 M CA -0.459 54.790 55.300 -0.085 0.000 0.886 642 M CB 2.291 34.863 32.600 -0.047 0.000 1.710 642 M HN 0.714 nan 8.290 nan 0.000 0.457 643 L N 4.734 125.970 121.223 0.022 0.000 2.318 643 L HA 0.586 4.925 4.340 -0.001 0.000 0.277 643 L C -0.859 176.136 176.870 0.208 0.000 1.008 643 L CA -0.449 54.483 54.840 0.154 0.000 0.846 643 L CB 1.458 43.675 42.059 0.263 0.000 1.220 643 L HN 0.693 nan 8.230 nan 0.000 0.423 644 R N 4.100 124.621 120.500 0.035 0.000 2.514 644 R HA 0.493 4.833 4.340 -0.001 0.000 0.301 644 R C -2.590 173.370 176.300 -0.567 0.000 0.962 644 R CA -1.962 54.045 56.100 -0.156 0.000 0.882 644 R CB 1.343 31.591 30.300 -0.086 0.000 1.143 644 R HN 0.247 nan 8.270 nan 0.000 0.452 645 P HA 0.088 nan 4.420 nan 0.000 0.271 645 P C -0.923 176.174 177.300 -0.338 0.000 1.220 645 P CA -0.159 62.341 63.100 -1.001 0.000 0.768 645 P CB 0.832 32.152 31.700 -0.633 0.000 0.848 646 R N 3.145 123.524 120.500 -0.201 0.000 2.502 646 R HA 0.264 4.604 4.340 -0.001 0.000 0.298 646 R C 0.585 176.907 176.300 0.037 0.000 1.018 646 R CA -0.656 55.379 56.100 -0.108 0.000 0.899 646 R CB 0.260 30.546 30.300 -0.024 0.000 1.181 646 R HN 0.676 nan 8.270 nan 0.000 0.444 647 H N 0.870 119.956 119.070 0.027 0.000 3.395 647 H HA -0.230 4.326 4.556 -0.001 0.000 0.222 647 H C 0.797 176.121 175.328 -0.006 0.000 1.099 647 H CA 1.259 57.317 56.048 0.017 0.000 1.182 647 H CB -1.184 28.577 29.762 -0.002 0.000 1.188 647 H HN 0.532 nan 8.280 nan 0.000 0.317 648 F N 0.712 120.588 119.950 -0.123 0.000 2.098 648 F HA 0.096 4.622 4.527 -0.001 0.000 0.294 648 F C 1.095 176.622 175.800 -0.455 0.000 1.107 648 F CA 0.971 58.779 58.000 -0.321 0.000 1.234 648 F CB 0.151 38.849 39.000 -0.503 0.000 1.002 648 F HN -0.056 nan 8.300 nan 0.000 0.472 649 F N -0.444 119.555 119.950 0.083 0.000 2.408 649 F HA 0.247 4.773 4.527 -0.001 0.000 0.325 649 F C 1.641 177.401 175.800 -0.068 0.000 1.082 649 F CA -0.180 57.807 58.000 -0.022 0.000 1.032 649 F CB 0.641 39.638 39.000 -0.005 0.000 1.259 649 F HN -0.228 nan 8.300 nan 0.000 0.503 650 T N -3.131 111.483 114.554 0.099 0.000 3.081 650 T HA 0.209 4.558 4.350 -0.001 0.000 0.250 650 T C -0.097 174.668 174.700 0.109 0.000 1.100 650 T CA 0.191 62.265 62.100 -0.044 0.000 1.038 650 T CB -0.585 68.022 68.868 -0.436 0.000 0.962 650 T HN 0.732 nan 8.240 nan 0.000 0.516 651 E N 0.248 120.514 120.200 0.109 0.000 2.429 651 E HA 0.288 4.637 4.350 -0.001 0.000 0.280 651 E C -1.370 175.213 176.600 -0.028 0.000 1.068 651 E CA -1.203 55.230 56.400 0.055 0.000 0.837 651 E CB 0.168 29.897 29.700 0.048 0.000 1.357 651 E HN -0.113 nan 8.360 nan 0.000 0.455 652 N N 2.259 120.903 118.700 -0.092 0.000 2.315 652 N HA -0.029 4.710 4.740 -0.001 0.000 0.270 652 N C -1.348 174.033 175.510 -0.216 0.000 1.329 652 N CA -1.047 51.903 53.050 -0.166 0.000 0.860 652 N CB 0.665 39.012 38.487 -0.234 0.000 1.095 652 N HN 0.401 nan 8.380 nan 0.000 0.487 653 P HA 0.050 nan 4.420 nan 0.000 0.237 653 P C 0.809 178.012 177.300 -0.162 0.000 1.178 653 P CA 0.557 63.380 63.100 -0.460 0.000 0.766 653 P CB 0.073 31.046 31.700 -1.212 0.000 0.876 654 G N -0.174 108.599 108.800 -0.044 0.000 3.042 654 G HA2 0.027 3.987 3.960 -0.001 0.000 0.212 654 G HA3 0.027 3.987 3.960 -0.001 0.000 0.212 654 G C 1.309 176.347 174.900 0.229 0.000 1.166 654 G CA -0.143 45.045 45.100 0.148 0.000 0.767 654 G HN 0.195 nan 8.290 nan 0.000 0.546 655 L N 1.154 122.408 121.223 0.051 0.000 2.362 655 L HA 0.014 4.353 4.340 -0.001 0.000 0.219 655 L C 2.006 178.933 176.870 0.096 0.000 1.134 655 L CA 0.960 55.814 54.840 0.023 0.000 0.807 655 L CB -0.041 41.941 42.059 -0.127 0.000 0.927 655 L HN 0.264 nan 8.230 nan 0.000 0.447 656 D N -0.109 120.350 120.400 0.098 0.000 2.340 656 D HA 0.008 4.647 4.640 -0.001 0.000 0.220 656 D C 0.706 177.050 176.300 0.073 0.000 1.039 656 D CA -0.045 54.009 54.000 0.089 0.000 0.866 656 D CB -0.118 40.761 40.800 0.132 0.000 0.913 656 D HN 0.211 nan 8.370 nan 0.000 0.523 657 I N 1.826 122.453 120.570 0.096 0.000 2.496 657 I HA -0.038 4.132 4.170 -0.001 0.000 0.285 657 I C 0.786 176.944 176.117 0.068 0.000 1.080 657 I CA -0.435 60.901 61.300 0.060 0.000 1.404 657 I CB 0.663 38.694 38.000 0.050 0.000 1.403 657 I HN -0.207 nan 8.210 nan 0.000 0.539 658 Q N 6.995 126.815 119.800 0.034 0.000 2.263 658 Q HA 0.100 4.439 4.340 -0.001 0.000 0.289 658 Q C -2.133 173.887 176.000 0.034 0.000 1.061 658 Q CA -1.217 54.605 55.803 0.032 0.000 0.927 658 Q CB -0.139 28.609 28.738 0.018 0.000 1.154 658 Q HN 0.308 nan 8.270 nan 0.000 0.378 659 P HA 0.029 nan 4.420 nan 0.000 0.269 659 P C 0.354 177.675 177.300 0.035 0.000 1.209 659 P CA 0.110 63.237 63.100 0.045 0.000 0.776 659 P CB 0.703 32.435 31.700 0.053 0.000 0.876 660 S N 0.526 116.249 115.700 0.037 0.000 2.382 660 S HA -0.096 4.374 4.470 -0.001 0.000 0.228 660 S C 0.278 174.971 174.600 0.154 0.000 1.027 660 S CA 1.314 59.554 58.200 0.067 0.000 0.991 660 S CB -0.452 62.774 63.200 0.044 0.000 0.823 660 S HN 0.619 nan 8.310 nan 0.000 0.469 661 Y N -0.176 120.131 120.300 0.012 0.000 2.479 661 Y HA 0.577 5.127 4.550 -0.001 0.000 0.338 661 Y C -1.429 174.492 175.900 0.035 0.000 1.055 661 Y CA -1.135 56.978 58.100 0.020 0.000 1.023 661 Y CB 1.056 39.525 38.460 0.016 0.000 1.287 661 Y HN 0.008 nan 8.280 nan 0.000 0.447 662 A N 5.884 128.276 122.820 -0.714 0.000 2.459 662 A HA 0.781 5.100 4.320 -0.001 0.000 0.296 662 A C -1.993 175.194 177.584 -0.662 0.000 1.039 662 A CA -0.553 51.172 52.037 -0.521 0.000 0.698 662 A CB 1.523 20.407 19.000 -0.193 0.000 1.261 662 A HN 0.758 nan 8.150 nan 0.000 0.405 663 M N 2.428 121.780 119.600 -0.413 0.000 2.224 663 M HA 0.524 5.003 4.480 -0.001 0.000 0.281 663 M C 0.070 176.323 176.300 -0.079 0.000 1.025 663 M CA 0.024 55.194 55.300 -0.217 0.000 0.954 663 M CB 1.943 34.477 32.600 -0.110 0.000 1.639 663 M HN 0.958 nan 8.290 nan 0.000 0.461 664 T N 0.549 115.068 114.554 -0.059 0.000 2.847 664 T HA 0.383 4.732 4.350 -0.001 0.000 0.279 664 T C 0.862 175.550 174.700 -0.019 0.000 0.984 664 T CA -0.167 61.915 62.100 -0.029 0.000 0.988 664 T CB 0.727 69.578 68.868 -0.029 0.000 1.040 664 T HN 0.699 nan 8.240 nan 0.000 0.528 665 T N 1.477 116.020 114.554 -0.018 0.000 2.708 665 T HA -0.153 4.196 4.350 -0.001 0.000 0.266 665 T C 2.406 177.092 174.700 -0.023 0.000 1.037 665 T CA 1.960 64.045 62.100 -0.025 0.000 1.146 665 T CB -0.762 68.086 68.868 -0.034 0.000 0.865 665 T HN 0.885 nan 8.240 nan 0.000 0.435 666 S N 1.780 117.467 115.700 -0.022 0.000 2.368 666 S HA -0.159 4.310 4.470 -0.001 0.000 0.225 666 S C 1.893 176.484 174.600 -0.016 0.000 1.030 666 S CA 1.284 59.472 58.200 -0.019 0.000 0.999 666 S CB -0.494 62.694 63.200 -0.019 0.000 0.844 666 S HN 0.592 nan 8.310 nan 0.000 0.459 667 E N 1.767 121.956 120.200 -0.017 0.000 2.077 667 E HA -0.011 4.339 4.350 -0.001 0.000 0.193 667 E C 2.464 179.062 176.600 -0.004 0.000 0.989 667 E CA 1.014 57.406 56.400 -0.014 0.000 0.800 667 E CB -0.448 29.237 29.700 -0.025 0.000 0.746 667 E HN 0.715 nan 8.360 nan 0.000 0.452 668 A N 1.543 124.362 122.820 -0.001 0.000 1.933 668 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 668 A C 1.939 179.523 177.584 -0.000 0.000 1.175 668 A CA 1.374 53.416 52.037 0.008 0.000 0.628 668 A CB -0.256 18.749 19.000 0.009 0.000 0.814 668 A HN 0.037 nan 8.150 nan 0.000 0.444 669 K N -0.725 119.670 120.400 -0.010 0.000 2.057 669 K HA -0.112 4.207 4.320 -0.001 0.000 0.207 669 K C 2.342 178.937 176.600 -0.007 0.000 1.049 669 K CA 1.366 57.646 56.287 -0.012 0.000 0.931 669 K CB -0.199 32.290 32.500 -0.018 0.000 0.714 669 K HN 0.364 nan 8.250 nan 0.000 0.440 670 R N 0.253 120.750 120.500 -0.005 0.000 2.105 670 R HA -0.102 4.238 4.340 -0.001 0.000 0.239 670 R C 2.228 178.530 176.300 0.002 0.000 1.135 670 R CA 1.269 57.368 56.100 -0.003 0.000 0.967 670 R CB -0.269 30.029 30.300 -0.003 0.000 0.861 670 R HN 0.182 nan 8.270 nan 0.000 0.442 671 A N 0.659 123.483 122.820 0.007 0.000 2.121 671 A HA 0.056 4.376 4.320 -0.001 0.000 0.218 671 A C 0.727 178.317 177.584 0.010 0.000 1.154 671 A CA 0.722 52.766 52.037 0.013 0.000 0.679 671 A CB -0.026 18.988 19.000 0.024 0.000 0.795 671 A HN 0.122 nan 8.150 nan 0.000 0.458 672 V N 0.000 119.917 119.914 0.004 0.000 2.409 672 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 672 V CA 0.000 62.300 62.300 0.001 0.000 1.235 672 V CB 0.000 31.824 31.823 0.001 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556