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 1a2v_1_F 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 0.000 177.303 177.300 0.005 0.000 1.155 18 P CA 0.000 63.100 63.100 0.001 0.000 0.800 18 P CB 0.000 31.700 31.700 -0.001 0.000 0.726 19 A N 0.264 123.087 122.820 0.006 0.000 2.305 19 A HA 0.698 5.014 4.320 -0.005 0.000 0.322 19 A C 0.130 177.723 177.584 0.015 0.000 1.187 19 A CA -0.562 51.481 52.037 0.010 0.000 0.825 19 A CB 0.368 19.374 19.000 0.010 0.000 1.164 19 A HN 0.430 nan 8.150 nan 0.000 0.498 20 R N 2.034 122.543 120.500 0.015 0.000 2.756 20 R HA 0.309 4.646 4.340 -0.005 0.000 0.264 20 R C -2.034 174.284 176.300 0.030 0.000 1.026 20 R CA -0.645 55.464 56.100 0.015 0.000 1.121 20 R CB -0.139 30.164 30.300 0.004 0.000 0.999 20 R HN 0.599 nan 8.270 nan 0.000 0.449 21 P HA 0.125 nan 4.420 nan 0.000 0.278 21 P C -0.311 177.041 177.300 0.088 0.000 1.266 21 P CA -0.424 62.718 63.100 0.071 0.000 0.807 21 P CB 1.045 32.800 31.700 0.092 0.000 1.094 22 A N 0.301 123.196 122.820 0.126 0.000 1.902 22 A HA -0.143 4.174 4.320 -0.005 0.000 0.217 22 A C 1.016 178.735 177.584 0.224 0.000 1.181 22 A CA 1.523 53.655 52.037 0.159 0.000 0.623 22 A CB -1.265 17.835 19.000 0.165 0.000 0.818 22 A HN 0.797 nan 8.150 nan 0.000 0.443 23 H N -2.310 116.835 119.070 0.124 0.000 2.600 23 H HA 0.429 4.981 4.556 -0.006 0.000 0.357 23 H C -2.311 173.017 175.328 0.001 0.000 1.106 23 H CA -1.984 54.145 56.048 0.134 0.000 1.193 23 H CB 2.038 31.966 29.762 0.277 0.000 1.594 23 H HN -0.096 nan 8.280 nan 0.000 0.526 24 P HA -0.152 nan 4.420 nan 0.000 0.220 24 P C 0.707 178.030 177.300 0.038 0.000 1.144 24 P CA 1.219 64.212 63.100 -0.178 0.000 0.800 24 P CB 0.272 31.663 31.700 -0.516 0.000 0.772 25 L N -2.097 119.258 121.223 0.221 0.000 2.607 25 L HA 0.143 4.479 4.340 -0.005 0.000 0.228 25 L C 0.330 177.169 176.870 -0.051 0.000 1.123 25 L CA -0.157 54.612 54.840 -0.119 0.000 0.890 25 L CB -0.503 41.203 42.059 -0.588 0.000 1.103 25 L HN -0.132 nan 8.230 nan 0.000 0.468 26 D N 2.060 122.578 120.400 0.197 0.000 2.455 26 D HA 0.105 4.742 4.640 -0.005 0.000 0.241 26 D C -2.032 174.383 176.300 0.193 0.000 1.138 26 D CA -0.984 53.191 54.000 0.293 0.000 0.877 26 D CB 0.712 41.663 40.800 0.252 0.000 1.187 26 D HN -0.048 nan 8.370 nan 0.000 0.451 27 P HA 0.040 nan 4.420 nan 0.000 0.270 27 P C 0.138 177.543 177.300 0.176 0.000 1.223 27 P CA -0.309 62.910 63.100 0.198 0.000 0.785 27 P CB 0.544 32.382 31.700 0.229 0.000 0.923 28 L N 0.661 121.987 121.223 0.172 0.000 2.506 28 L HA 0.050 4.387 4.340 -0.005 0.000 0.281 28 L C 1.333 178.279 176.870 0.126 0.000 1.228 28 L CA 0.174 55.095 54.840 0.135 0.000 0.850 28 L CB -0.148 41.991 42.059 0.134 0.000 1.110 28 L HN 0.510 nan 8.230 nan 0.000 0.496 29 S N -0.420 115.318 115.700 0.063 0.000 2.655 29 S HA 0.149 4.616 4.470 -0.005 0.000 0.265 29 S C 1.192 175.741 174.600 -0.086 0.000 1.240 29 S CA -0.178 58.013 58.200 -0.015 0.000 0.986 29 S CB 1.269 64.453 63.200 -0.026 0.000 0.985 29 S HN 0.759 nan 8.310 nan 0.000 0.562 30 T N -2.022 112.387 114.554 -0.243 0.000 2.962 30 T HA -0.007 4.340 4.350 -0.005 0.000 0.270 30 T C 1.802 176.439 174.700 -0.106 0.000 1.088 30 T CA 0.876 62.855 62.100 -0.201 0.000 1.127 30 T CB -0.817 67.883 68.868 -0.280 0.000 0.883 30 T HN 0.812 nan 8.240 nan 0.000 0.493 31 A N 1.838 124.605 122.820 -0.087 0.000 1.898 31 A HA 0.043 4.359 4.320 -0.005 0.000 0.214 31 A C 2.312 179.874 177.584 -0.036 0.000 1.183 31 A CA 1.170 53.174 52.037 -0.054 0.000 0.622 31 A CB -0.510 18.465 19.000 -0.042 0.000 0.824 31 A HN 0.583 nan 8.150 nan 0.000 0.444 32 E N -0.198 119.990 120.200 -0.020 0.000 2.106 32 E HA -0.123 4.224 4.350 -0.005 0.000 0.192 32 E C 1.830 178.427 176.600 -0.004 0.000 0.984 32 E CA 1.058 57.459 56.400 0.001 0.000 0.806 32 E CB -0.260 29.455 29.700 0.026 0.000 0.750 32 E HN 0.674 nan 8.360 nan 0.000 0.458 33 I N 1.017 121.582 120.570 -0.008 0.000 2.163 33 I HA -0.294 3.873 4.170 -0.005 0.000 0.243 33 I C 2.463 178.529 176.117 -0.085 0.000 1.085 33 I CA 1.082 62.369 61.300 -0.021 0.000 1.347 33 I CB -0.128 37.871 38.000 -0.000 0.000 1.044 33 I HN -0.007 nan 8.210 nan 0.000 0.408 34 K N 1.453 121.804 120.400 -0.081 0.000 2.025 34 K HA -0.091 4.226 4.320 -0.005 0.000 0.207 34 K C 2.059 178.605 176.600 -0.090 0.000 1.049 34 K CA 1.656 57.882 56.287 -0.102 0.000 0.933 34 K CB -0.419 32.036 32.500 -0.074 0.000 0.714 34 K HN 0.262 nan 8.250 nan 0.000 0.438 35 A N 0.389 123.175 122.820 -0.056 0.000 1.978 35 A HA -0.085 4.232 4.320 -0.005 0.000 0.220 35 A C 2.302 179.861 177.584 -0.041 0.000 1.170 35 A CA 2.041 54.056 52.037 -0.037 0.000 0.636 35 A CB -0.921 18.068 19.000 -0.018 0.000 0.810 35 A HN 0.432 nan 8.150 nan 0.000 0.448 36 A N -0.268 122.521 122.820 -0.051 0.000 1.854 36 A HA -0.054 4.263 4.320 -0.005 0.000 0.214 36 A C 2.485 180.005 177.584 -0.107 0.000 1.192 36 A CA 2.440 54.449 52.037 -0.047 0.000 0.611 36 A CB -1.461 17.533 19.000 -0.011 0.000 0.832 36 A HN 0.787 nan 8.150 nan 0.000 0.442 37 T N -1.495 112.912 114.554 -0.245 0.000 2.759 37 T HA -0.190 4.157 4.350 -0.005 0.000 0.269 37 T C 1.663 176.281 174.700 -0.137 0.000 1.042 37 T CA 1.692 63.502 62.100 -0.484 0.000 1.140 37 T CB -0.623 67.700 68.868 -0.908 0.000 0.864 37 T HN 0.354 nan 8.240 nan 0.000 0.455 38 N N 1.295 119.938 118.700 -0.094 0.000 2.084 38 N HA -0.043 4.693 4.740 -0.005 0.000 0.190 38 N C 2.143 177.665 175.510 0.020 0.000 1.030 38 N CA 1.851 54.891 53.050 -0.017 0.000 0.849 38 N CB -1.106 37.366 38.487 -0.025 0.000 1.012 38 N HN 0.523 nan 8.380 nan 0.000 0.423 39 T N 0.699 115.253 114.554 -0.001 0.000 2.720 39 T HA -0.062 4.285 4.350 -0.005 0.000 0.268 39 T C 2.103 176.816 174.700 0.022 0.000 1.037 39 T CA 0.965 63.070 62.100 0.008 0.000 1.144 39 T CB -0.312 68.550 68.868 -0.009 0.000 0.864 39 T HN -0.013 nan 8.240 nan 0.000 0.444 40 V N 1.477 121.406 119.914 0.026 0.000 2.323 40 V HA -0.123 3.993 4.120 -0.005 0.000 0.244 40 V C 2.485 178.721 176.094 0.237 0.000 1.041 40 V CA 1.368 63.701 62.300 0.054 0.000 1.025 40 V CB -0.454 31.372 31.823 0.004 0.000 0.656 40 V HN 0.454 nan 8.190 nan 0.000 0.451 41 K N 0.287 120.857 120.400 0.284 0.000 2.113 41 K HA -0.171 4.145 4.320 -0.005 0.000 0.208 41 K C 2.398 179.089 176.600 0.151 0.000 1.047 41 K CA 1.823 58.260 56.287 0.251 0.000 0.928 41 K CB -0.364 32.268 32.500 0.219 0.000 0.716 41 K HN 0.415 nan 8.250 nan 0.000 0.446 42 S N 0.580 116.337 115.700 0.095 0.000 2.355 42 S HA -0.162 4.305 4.470 -0.005 0.000 0.222 42 S C 1.763 176.354 174.600 -0.015 0.000 1.031 42 S CA 0.975 59.197 58.200 0.038 0.000 0.993 42 S CB -0.416 62.800 63.200 0.028 0.000 0.859 42 S HN 0.331 nan 8.310 nan 0.000 0.453 43 Y N 1.263 121.456 120.300 -0.178 0.000 2.165 43 Y HA -0.114 4.433 4.550 -0.005 0.000 0.286 43 Y C 0.697 176.289 175.900 -0.513 0.000 1.155 43 Y CA 1.332 59.195 58.100 -0.395 0.000 1.164 43 Y CB -0.181 37.920 38.460 -0.599 0.000 0.978 43 Y HN 0.187 nan 8.280 nan 0.000 0.513 44 F N 0.822 120.815 119.950 0.072 0.000 2.986 44 F HA 0.443 4.967 4.527 -0.006 0.000 0.297 44 F C 0.794 176.579 175.800 -0.024 0.000 1.210 44 F CA -0.569 57.433 58.000 0.003 0.000 1.346 44 F CB -0.908 38.118 39.000 0.044 0.000 1.007 44 F HN 0.002 nan 8.300 nan 0.000 0.512 45 A N 0.152 122.990 122.820 0.031 0.000 2.546 45 A HA 0.412 4.729 4.320 -0.005 0.000 0.243 45 A C 1.563 179.165 177.584 0.031 0.000 1.063 45 A CA 0.881 52.934 52.037 0.026 0.000 0.757 45 A CB -0.509 18.478 19.000 -0.021 0.000 0.991 45 A HN 1.134 nan 8.150 nan 0.000 0.503 46 G N 1.759 110.581 108.800 0.037 0.000 2.225 46 G HA2 -0.206 3.750 3.960 -0.005 0.000 0.254 46 G HA3 -0.206 3.750 3.960 -0.005 0.000 0.254 46 G C 0.253 175.173 174.900 0.034 0.000 0.988 46 G CA 0.560 45.676 45.100 0.027 0.000 0.625 46 G HN 0.786 nan 8.290 nan 0.000 0.527 47 K N 0.430 120.865 120.400 0.059 0.000 2.130 47 K HA 0.427 4.743 4.320 -0.005 0.000 0.268 47 K C -0.096 176.514 176.600 0.016 0.000 0.983 47 K CA -0.793 55.520 56.287 0.044 0.000 0.893 47 K CB 1.936 34.487 32.500 0.085 0.000 1.066 47 K HN 0.167 nan 8.250 nan 0.000 0.450 48 K N 4.203 124.594 120.400 -0.015 0.000 2.150 48 K HA 0.145 4.461 4.320 -0.005 0.000 0.261 48 K C 0.217 176.771 176.600 -0.077 0.000 1.127 48 K CA -0.212 56.058 56.287 -0.029 0.000 0.989 48 K CB -0.379 32.107 32.500 -0.024 0.000 1.475 48 K HN 0.568 nan 8.250 nan 0.000 0.391 49 I N -0.575 119.932 120.570 -0.104 0.000 2.676 49 I HA 0.522 4.689 4.170 -0.005 0.000 0.309 49 I C -0.413 175.571 176.117 -0.221 0.000 0.990 49 I CA -0.617 60.548 61.300 -0.224 0.000 1.168 49 I CB 1.959 39.748 38.000 -0.352 0.000 1.343 49 I HN 0.360 nan 8.210 nan 0.000 0.482 50 S N 4.047 119.570 115.700 -0.296 0.000 2.536 50 S HA 0.638 5.105 4.470 -0.005 0.000 0.287 50 S C -1.130 173.277 174.600 -0.323 0.000 1.101 50 S CA -0.612 57.474 58.200 -0.189 0.000 0.950 50 S CB 1.245 64.393 63.200 -0.087 0.000 1.056 50 S HN 0.505 nan 8.310 nan 0.000 0.481 51 F N 3.866 123.803 119.950 -0.022 0.000 2.411 51 F HA 0.448 4.972 4.527 -0.006 0.000 0.350 51 F C 1.716 177.505 175.800 -0.019 0.000 1.114 51 F CA -0.546 57.445 58.000 -0.014 0.000 1.135 51 F CB 1.285 40.284 39.000 -0.002 0.000 1.120 51 F HN 0.834 nan 8.300 nan 0.000 0.495 52 N N 1.166 119.927 118.700 0.103 0.000 2.499 52 N HA 0.018 4.755 4.740 -0.005 0.000 0.182 52 N C -0.328 175.227 175.510 0.076 0.000 1.034 52 N CA 0.720 53.805 53.050 0.059 0.000 0.882 52 N CB 0.629 39.124 38.487 0.013 0.000 1.125 52 N HN 0.544 nan 8.380 nan 0.000 0.436 53 T N 0.528 115.115 114.554 0.055 0.000 3.105 53 T HA 0.441 4.788 4.350 -0.005 0.000 0.321 53 T C -1.521 173.182 174.700 0.005 0.000 1.135 53 T CA -0.460 61.592 62.100 -0.080 0.000 1.053 53 T CB 2.490 71.154 68.868 -0.339 0.000 1.133 53 T HN -0.139 nan 8.240 nan 0.000 0.463 54 V N 2.814 122.745 119.914 0.027 0.000 2.509 54 V HA 0.755 4.872 4.120 -0.005 0.000 0.289 54 V C -0.160 176.013 176.094 0.132 0.000 1.026 54 V CA -0.484 61.878 62.300 0.103 0.000 0.872 54 V CB 1.625 33.497 31.823 0.081 0.000 1.017 54 V HN 0.970 nan 8.190 nan 0.000 0.436 55 T N 3.864 118.528 114.554 0.185 0.000 2.843 55 T HA 0.630 4.976 4.350 -0.005 0.000 0.302 55 T C -1.252 173.615 174.700 0.279 0.000 1.232 55 T CA -0.503 61.759 62.100 0.271 0.000 1.009 55 T CB 1.652 70.743 68.868 0.372 0.000 1.254 55 T HN 0.559 nan 8.240 nan 0.000 0.504 56 L N 2.889 124.261 121.223 0.249 0.000 2.456 56 L HA 0.621 4.957 4.340 -0.005 0.000 0.272 56 L C 0.165 177.145 176.870 0.183 0.000 1.189 56 L CA 0.081 55.035 54.840 0.190 0.000 0.846 56 L CB 0.468 42.618 42.059 0.152 0.000 1.111 56 L HN 0.601 nan 8.230 nan 0.000 0.475 57 R N 4.366 124.955 120.500 0.149 0.000 2.278 57 R HA 0.314 4.651 4.340 -0.005 0.000 0.322 57 R C -0.661 175.672 176.300 0.054 0.000 1.058 57 R CA -0.255 55.906 56.100 0.102 0.000 0.991 57 R CB -0.206 30.165 30.300 0.119 0.000 1.140 57 R HN 0.757 nan 8.270 nan 0.000 0.518 58 E N 5.204 125.419 120.200 0.025 0.000 2.467 58 E HA 0.024 4.370 4.350 -0.005 0.000 0.264 58 E C -1.838 174.770 176.600 0.014 0.000 1.020 58 E CA -1.145 55.255 56.400 0.001 0.000 0.945 58 E CB 0.120 29.796 29.700 -0.039 0.000 0.942 58 E HN 0.539 nan 8.360 nan 0.000 0.449 59 P HA 0.002 nan 4.420 nan 0.000 0.271 59 P C -0.815 176.535 177.300 0.084 0.000 1.233 59 P CA -0.249 62.883 63.100 0.054 0.000 0.789 59 P CB 0.491 32.234 31.700 0.072 0.000 0.951 60 A N 1.757 124.629 122.820 0.087 0.000 2.498 60 A HA -0.000 4.317 4.320 -0.005 0.000 0.239 60 A C 1.845 179.508 177.584 0.130 0.000 1.068 60 A CA -0.102 51.997 52.037 0.103 0.000 0.766 60 A CB -0.405 18.643 19.000 0.081 0.000 1.003 60 A HN 0.673 nan 8.150 nan 0.000 0.497 61 R N 1.058 121.619 120.500 0.101 0.000 2.096 61 R HA -0.174 4.163 4.340 -0.005 0.000 0.240 61 R C 2.016 178.290 176.300 -0.044 0.000 1.139 61 R CA 2.094 58.147 56.100 -0.078 0.000 0.952 61 R CB -0.135 29.911 30.300 -0.423 0.000 0.854 61 R HN 0.819 nan 8.270 nan 0.000 0.436 62 K N -0.088 120.304 120.400 -0.013 0.000 2.026 62 K HA -0.127 4.190 4.320 -0.005 0.000 0.208 62 K C 1.942 178.581 176.600 0.065 0.000 1.048 62 K CA 1.441 57.731 56.287 0.006 0.000 0.929 62 K CB -0.204 32.305 32.500 0.015 0.000 0.713 62 K HN 0.265 nan 8.250 nan 0.000 0.439 63 A N 0.582 123.457 122.820 0.092 0.000 1.865 63 A HA -0.233 4.084 4.320 -0.005 0.000 0.217 63 A C 2.141 179.828 177.584 0.172 0.000 1.191 63 A CA 1.718 53.821 52.037 0.109 0.000 0.623 63 A CB -1.068 17.986 19.000 0.090 0.000 0.826 63 A HN 0.543 nan 8.150 nan 0.000 0.444 64 Y N 0.450 120.811 120.300 0.102 0.000 2.081 64 Y HA -0.242 4.305 4.550 -0.006 0.000 0.280 64 Y C 2.067 178.131 175.900 0.274 0.000 1.163 64 Y CA 2.114 60.331 58.100 0.196 0.000 1.135 64 Y CB -0.310 38.271 38.460 0.201 0.000 0.970 64 Y HN 0.274 nan 8.280 nan 0.000 0.498 65 I N 0.134 120.862 120.570 0.263 0.000 2.286 65 I HA -0.348 3.818 4.170 -0.005 0.000 0.248 65 I C 2.399 178.514 176.117 -0.004 0.000 1.115 65 I CA 1.573 62.943 61.300 0.116 0.000 1.392 65 I CB -0.482 37.568 38.000 0.084 0.000 1.065 65 I HN 0.387 nan 8.210 nan 0.000 0.418 66 Q N -0.440 119.377 119.800 0.028 0.000 2.084 66 Q HA -0.270 4.067 4.340 -0.005 0.000 0.202 66 Q C 2.029 178.017 176.000 -0.020 0.000 0.978 66 Q CA 2.157 57.963 55.803 0.005 0.000 0.844 66 Q CB -0.345 28.414 28.738 0.035 0.000 0.898 66 Q HN 0.643 nan 8.270 nan 0.000 0.426 67 W N 1.801 123.001 121.300 -0.166 0.000 2.355 67 W HA -0.167 4.490 4.660 -0.005 0.000 0.309 67 W C 1.981 178.349 176.519 -0.253 0.000 1.206 67 W CA 1.262 58.486 57.345 -0.200 0.000 1.284 67 W CB -0.030 29.286 29.460 -0.239 0.000 1.145 67 W HN -0.138 nan 8.180 nan 0.000 0.502 68 K N 0.181 120.219 120.400 -0.603 0.000 2.155 68 K HA -0.140 4.177 4.320 -0.005 0.000 0.203 68 K C 1.128 177.426 176.600 -0.504 0.000 1.052 68 K CA 1.864 57.629 56.287 -0.869 0.000 0.948 68 K CB -0.039 32.111 32.500 -0.584 0.000 0.728 68 K HN 0.405 nan 8.250 nan 0.000 0.448 69 E N -1.363 118.661 120.200 -0.293 0.000 2.571 69 E HA 0.036 4.383 4.350 -0.005 0.000 0.222 69 E C 0.281 176.793 176.600 -0.146 0.000 0.904 69 E CA -0.043 56.245 56.400 -0.188 0.000 1.157 69 E CB 0.807 30.447 29.700 -0.100 0.000 1.158 69 E HN 0.187 nan 8.360 nan 0.000 0.540 70 Q N 0.322 120.038 119.800 -0.140 0.000 2.141 70 Q HA 0.247 4.584 4.340 -0.005 0.000 0.248 70 Q C 0.467 176.410 176.000 -0.096 0.000 0.834 70 Q CA 0.108 55.855 55.803 -0.093 0.000 1.096 70 Q CB 1.435 30.140 28.738 -0.055 0.000 1.189 70 Q HN 0.313 nan 8.270 nan 0.000 0.471 71 G N 0.767 109.475 108.800 -0.154 0.000 2.233 71 G HA2 -0.310 3.647 3.960 -0.005 0.000 0.270 71 G HA3 -0.310 3.647 3.960 -0.005 0.000 0.270 71 G C 0.500 175.362 174.900 -0.064 0.000 1.011 71 G CA 0.051 45.070 45.100 -0.134 0.000 0.762 71 G HN 0.536 nan 8.290 nan 0.000 0.511 72 G N 0.103 108.880 108.800 -0.037 0.000 2.667 72 G HA2 0.539 4.496 3.960 -0.005 0.000 0.250 72 G HA3 0.539 4.496 3.960 -0.005 0.000 0.250 72 G C -1.180 173.816 174.900 0.159 0.000 1.212 72 G CA -0.190 44.943 45.100 0.055 0.000 0.874 72 G HN 0.350 nan 8.290 nan 0.000 0.561 73 P HA 0.129 nan 4.420 nan 0.000 0.272 73 P C -0.299 177.113 177.300 0.186 0.000 1.230 73 P CA -0.702 62.495 63.100 0.161 0.000 0.788 73 P CB 0.983 32.728 31.700 0.076 0.000 0.949 74 L N 4.208 125.485 121.223 0.091 0.000 2.477 74 L HA 0.226 4.563 4.340 -0.005 0.000 0.272 74 L C -2.029 174.722 176.870 -0.199 0.000 1.157 74 L CA -1.390 53.308 54.840 -0.237 0.000 0.889 74 L CB -0.897 41.067 42.059 -0.159 0.000 1.158 74 L HN 0.291 nan 8.230 nan 0.000 0.473 75 P HA 0.208 nan 4.420 nan 0.000 0.269 75 P C -2.540 174.696 177.300 -0.107 0.000 1.215 75 P CA -0.954 62.066 63.100 -0.134 0.000 0.780 75 P CB -0.354 31.278 31.700 -0.113 0.000 0.898 76 P HA 0.163 nan 4.420 nan 0.000 0.268 76 P C -0.336 176.950 177.300 -0.023 0.000 1.205 76 P CA -0.072 63.013 63.100 -0.025 0.000 0.771 76 P CB 0.359 32.059 31.700 -0.000 0.000 0.858 77 R N 3.182 123.673 120.500 -0.013 0.000 2.220 77 R HA 0.347 4.684 4.340 -0.005 0.000 0.340 77 R C -0.753 175.566 176.300 0.031 0.000 1.076 77 R CA 0.091 56.193 56.100 0.002 0.000 0.920 77 R CB -0.888 29.413 30.300 0.002 0.000 1.062 77 R HN 0.431 nan 8.270 nan 0.000 0.469 78 L N 2.673 123.925 121.223 0.048 0.000 2.330 78 L HA 0.796 5.133 4.340 -0.005 0.000 0.271 78 L C -0.216 176.722 176.870 0.114 0.000 1.013 78 L CA -1.329 53.558 54.840 0.078 0.000 0.816 78 L CB 2.091 44.197 42.059 0.078 0.000 1.287 78 L HN 0.645 nan 8.230 nan 0.000 0.435 79 A N 1.417 124.324 122.820 0.146 0.000 2.343 79 A HA 0.588 4.904 4.320 -0.005 0.000 0.316 79 A C -1.691 176.057 177.584 0.273 0.000 1.104 79 A CA -0.380 51.772 52.037 0.192 0.000 0.768 79 A CB 1.107 20.202 19.000 0.158 0.000 1.213 79 A HN 0.582 nan 8.150 nan 0.000 0.456 80 Y N 3.193 123.586 120.300 0.155 0.000 2.330 80 Y HA 0.606 5.153 4.550 -0.005 0.000 0.336 80 Y C -0.865 175.151 175.900 0.193 0.000 1.036 80 Y CA -1.094 57.081 58.100 0.125 0.000 1.125 80 Y CB 0.868 39.381 38.460 0.088 0.000 1.194 80 Y HN 0.722 nan 8.280 nan 0.000 0.469 81 Y N 3.256 123.223 120.300 -0.553 0.000 2.570 81 Y HA 0.842 5.389 4.550 -0.005 0.000 0.345 81 Y C -2.002 173.551 175.900 -0.578 0.000 1.014 81 Y CA -1.795 56.048 58.100 -0.428 0.000 1.063 81 Y CB 1.305 39.748 38.460 -0.028 0.000 1.272 81 Y HN 0.326 nan 8.280 nan 0.000 0.477 82 V N 4.853 124.674 119.914 -0.154 0.000 2.524 82 V HA 0.487 4.603 4.120 -0.005 0.000 0.297 82 V C -0.295 175.788 176.094 -0.019 0.000 1.035 82 V CA -0.702 61.514 62.300 -0.140 0.000 0.867 82 V CB 1.158 32.926 31.823 -0.091 0.000 1.004 82 V HN 0.856 nan 8.190 nan 0.000 0.426 83 I N 2.727 123.253 120.570 -0.072 0.000 2.957 83 I HA 0.740 4.907 4.170 -0.005 0.000 0.310 83 I C -1.286 174.691 176.117 -0.234 0.000 1.063 83 I CA -1.034 60.123 61.300 -0.238 0.000 1.033 83 I CB 2.412 40.140 38.000 -0.453 0.000 1.230 83 I HN 0.268 nan 8.210 nan 0.000 0.447 84 L N 2.086 123.159 121.223 -0.250 0.000 2.362 84 L HA 0.561 4.898 4.340 -0.005 0.000 0.271 84 L C -0.645 176.091 176.870 -0.224 0.000 1.002 84 L CA -0.382 54.341 54.840 -0.196 0.000 0.818 84 L CB 1.956 43.936 42.059 -0.132 0.000 1.298 84 L HN 0.790 nan 8.230 nan 0.000 0.420 85 E N 1.860 121.943 120.200 -0.196 0.000 2.176 85 E HA 0.573 4.920 4.350 -0.005 0.000 0.267 85 E C -0.509 176.024 176.600 -0.111 0.000 0.893 85 E CA -0.668 55.624 56.400 -0.180 0.000 0.761 85 E CB 2.015 31.593 29.700 -0.203 0.000 1.133 85 E HN 0.724 nan 8.360 nan 0.000 0.409 86 A N 3.156 125.924 122.820 -0.087 0.000 2.565 86 A HA 0.382 4.699 4.320 -0.005 0.000 0.237 86 A C 1.295 178.851 177.584 -0.047 0.000 1.053 86 A CA 0.889 52.891 52.037 -0.058 0.000 0.755 86 A CB -0.530 18.444 19.000 -0.043 0.000 0.980 86 A HN 1.271 nan 8.150 nan 0.000 0.506 87 G N 1.357 110.135 108.800 -0.037 0.000 2.184 87 G HA2 -0.212 3.744 3.960 -0.005 0.000 0.264 87 G HA3 -0.212 3.744 3.960 -0.005 0.000 0.264 87 G C 0.250 175.133 174.900 -0.029 0.000 0.975 87 G CA 0.773 45.857 45.100 -0.027 0.000 0.642 87 G HN 0.754 nan 8.290 nan 0.000 0.536 88 K N 1.008 121.382 120.400 -0.043 0.000 2.164 88 K HA 0.569 4.886 4.320 -0.005 0.000 0.258 88 K C -2.321 174.254 176.600 -0.043 0.000 0.951 88 K CA -1.788 54.473 56.287 -0.044 0.000 0.844 88 K CB 2.261 34.722 32.500 -0.065 0.000 1.099 88 K HN 0.168 nan 8.250 nan 0.000 0.435 89 P HA 0.278 nan 4.420 nan 0.000 0.282 89 P C 0.481 177.758 177.300 -0.039 0.000 1.249 89 P CA 0.111 63.197 63.100 -0.024 0.000 0.806 89 P CB 0.956 32.652 31.700 -0.006 0.000 0.984 90 G N 0.941 109.717 108.800 -0.041 0.000 2.509 90 G HA2 -0.044 3.913 3.960 -0.005 0.000 0.259 90 G HA3 -0.044 3.913 3.960 -0.005 0.000 0.259 90 G C -0.298 174.539 174.900 -0.106 0.000 1.169 90 G CA 0.336 45.397 45.100 -0.065 0.000 0.953 90 G HN 0.967 nan 8.290 nan 0.000 0.563 91 V N -3.982 115.849 119.914 -0.139 0.000 3.112 91 V HA 0.972 5.089 4.120 -0.005 0.000 0.310 91 V C -0.545 175.456 176.094 -0.154 0.000 1.364 91 V CA -0.419 61.777 62.300 -0.174 0.000 1.058 91 V CB 1.907 33.575 31.823 -0.260 0.000 1.079 91 V HN 1.135 nan 8.190 nan 0.000 0.463 92 K N 0.587 120.891 120.400 -0.159 0.000 2.468 92 K HA 0.667 4.984 4.320 -0.005 0.000 0.252 92 K C -1.335 175.191 176.600 -0.124 0.000 0.932 92 K CA -0.491 55.731 56.287 -0.109 0.000 0.794 92 K CB 2.540 34.953 32.500 -0.144 0.000 1.241 92 K HN 1.030 nan 8.250 nan 0.000 0.428 93 E N 0.743 120.851 120.200 -0.154 0.000 2.433 93 E HA 0.840 5.186 4.350 -0.005 0.000 0.273 93 E C -0.352 175.909 176.600 -0.565 0.000 0.950 93 E CA -1.316 54.834 56.400 -0.416 0.000 0.796 93 E CB 2.276 31.909 29.700 -0.112 0.000 1.330 93 E HN 0.620 nan 8.360 nan 0.000 0.455 94 G N -0.052 108.130 108.800 -1.030 0.000 2.321 94 G HA2 0.390 4.347 3.960 -0.005 0.000 0.296 94 G HA3 0.390 4.347 3.960 -0.005 0.000 0.296 94 G C -1.828 172.832 174.900 -0.401 0.000 1.287 94 G CA -1.039 43.714 45.100 -0.580 0.000 0.846 94 G HN 0.399 nan 8.290 nan 0.000 0.508 95 L N -0.306 120.941 121.223 0.041 0.000 2.354 95 L HA 0.783 5.120 4.340 -0.005 0.000 0.269 95 L C -0.458 176.559 176.870 0.244 0.000 1.005 95 L CA -1.244 53.711 54.840 0.191 0.000 0.819 95 L CB 2.263 44.405 42.059 0.137 0.000 1.311 95 L HN 0.357 nan 8.230 nan 0.000 0.423 96 V N 0.576 120.626 119.914 0.228 0.000 2.495 96 V HA 0.191 4.308 4.120 -0.005 0.000 0.298 96 V C -0.791 175.359 176.094 0.093 0.000 1.031 96 V CA -0.513 61.868 62.300 0.134 0.000 0.871 96 V CB 2.029 33.918 31.823 0.109 0.000 0.988 96 V HN 0.739 nan 8.190 nan 0.000 0.432 97 D N 3.860 124.296 120.400 0.060 0.000 2.441 97 D HA 0.283 4.920 4.640 -0.005 0.000 0.221 97 D C 1.126 177.448 176.300 0.037 0.000 1.156 97 D CA -0.165 53.862 54.000 0.046 0.000 0.896 97 D CB 0.733 41.554 40.800 0.035 0.000 1.028 97 D HN 0.448 nan 8.370 nan 0.000 0.509 98 L N 3.142 124.388 121.223 0.039 0.000 2.089 98 L HA -0.256 4.081 4.340 -0.005 0.000 0.213 98 L C 2.398 179.279 176.870 0.019 0.000 1.079 98 L CA 1.549 56.406 54.840 0.028 0.000 0.758 98 L CB -0.455 41.622 42.059 0.031 0.000 0.891 98 L HN 0.558 nan 8.230 nan 0.000 0.433 99 A N -0.361 122.469 122.820 0.017 0.000 1.933 99 A HA -0.197 4.120 4.320 -0.005 0.000 0.218 99 A C 2.329 179.920 177.584 0.013 0.000 1.175 99 A CA 2.049 54.093 52.037 0.012 0.000 0.628 99 A CB -0.485 18.521 19.000 0.010 0.000 0.814 99 A HN 0.532 nan 8.150 nan 0.000 0.444 100 S N -1.481 114.228 115.700 0.016 0.000 2.557 100 S HA 0.413 4.880 4.470 -0.005 0.000 0.223 100 S C 0.494 175.104 174.600 0.016 0.000 0.969 100 S CA 0.115 58.325 58.200 0.016 0.000 0.927 100 S CB -0.515 62.696 63.200 0.018 0.000 0.806 100 S HN 0.575 nan 8.310 nan 0.000 0.489 101 L N 2.096 123.329 121.223 0.016 0.000 3.854 101 L HA -0.189 4.148 4.340 -0.005 0.000 0.460 101 L C -0.037 176.844 176.870 0.017 0.000 1.228 101 L CA 0.542 55.390 54.840 0.014 0.000 0.760 101 L CB -2.213 39.852 42.059 0.010 0.000 1.597 101 L HN 0.720 nan 8.230 nan 0.000 0.852 102 S N -2.343 113.369 115.700 0.019 0.000 2.549 102 S HA 0.717 5.184 4.470 -0.005 0.000 0.280 102 S C -0.352 174.248 174.600 0.001 0.000 1.109 102 S CA -1.054 57.157 58.200 0.018 0.000 0.905 102 S CB 2.521 65.738 63.200 0.027 0.000 1.081 102 S HN -0.039 nan 8.310 nan 0.000 0.477 103 V N 3.319 123.203 119.914 -0.050 0.000 2.415 103 V HA 0.182 4.299 4.120 -0.005 0.000 0.267 103 V C 1.179 177.225 176.094 -0.081 0.000 1.042 103 V CA -0.197 62.024 62.300 -0.132 0.000 1.000 103 V CB 0.084 31.579 31.823 -0.546 0.000 1.015 103 V HN 0.895 nan 8.190 nan 0.000 0.478 104 I N 1.443 122.009 120.570 -0.007 0.000 3.956 104 I HA 0.523 4.690 4.170 -0.005 0.000 0.333 104 I C 0.497 176.621 176.117 0.012 0.000 1.302 104 I CA 0.285 61.591 61.300 0.009 0.000 1.122 104 I CB 0.391 38.409 38.000 0.029 0.000 1.013 104 I HN 0.639 nan 8.210 nan 0.000 0.405 105 E N 0.567 120.770 120.200 0.005 0.000 2.388 105 E HA 0.423 4.769 4.350 -0.005 0.000 0.289 105 E C -1.390 175.212 176.600 0.004 0.000 0.944 105 E CA -0.404 56.005 56.400 0.014 0.000 0.792 105 E CB 2.177 31.896 29.700 0.032 0.000 1.239 105 E HN 0.120 nan 8.360 nan 0.000 0.412 106 T N 2.767 117.330 114.554 0.015 0.000 2.942 106 T HA 0.655 5.002 4.350 -0.005 0.000 0.327 106 T C -1.974 172.775 174.700 0.080 0.000 1.360 106 T CA -0.653 61.476 62.100 0.049 0.000 1.055 106 T CB 1.042 69.969 68.868 0.099 0.000 1.261 106 T HN 0.645 nan 8.240 nan 0.000 0.485 107 R N 1.551 122.096 120.500 0.074 0.000 2.690 107 R HA 0.808 5.145 4.340 -0.005 0.000 0.269 107 R C -1.927 174.403 176.300 0.050 0.000 1.037 107 R CA -1.098 55.045 56.100 0.072 0.000 0.877 107 R CB 0.968 31.299 30.300 0.051 0.000 1.255 107 R HN 0.706 nan 8.270 nan 0.000 0.467 108 A N 2.454 125.301 122.820 0.045 0.000 2.288 108 A HA 0.625 4.942 4.320 -0.005 0.000 0.320 108 A C -1.136 176.447 177.584 -0.001 0.000 1.217 108 A CA -0.767 51.276 52.037 0.010 0.000 0.840 108 A CB 1.035 20.046 19.000 0.017 0.000 1.179 108 A HN 0.396 nan 8.150 nan 0.000 0.504 109 L N 3.052 124.256 121.223 -0.031 0.000 2.356 109 L HA 0.341 4.678 4.340 -0.005 0.000 0.264 109 L C 0.995 177.840 176.870 -0.042 0.000 1.029 109 L CA 0.229 55.052 54.840 -0.029 0.000 0.897 109 L CB 0.291 42.323 42.059 -0.044 0.000 1.256 109 L HN 0.904 nan 8.230 nan 0.000 0.444 110 E N 0.502 120.691 120.200 -0.017 0.000 2.347 110 E HA -0.065 4.282 4.350 -0.005 0.000 0.196 110 E C 0.489 177.090 176.600 0.002 0.000 1.008 110 E CA 1.054 57.447 56.400 -0.013 0.000 0.852 110 E CB 0.333 30.033 29.700 -0.000 0.000 0.783 110 E HN 0.639 nan 8.360 nan 0.000 0.505 111 T N -1.413 113.149 114.554 0.013 0.000 3.275 111 T HA 0.426 4.772 4.350 -0.005 0.000 0.265 111 T C -0.154 174.576 174.700 0.051 0.000 0.978 111 T CA -0.432 61.692 62.100 0.039 0.000 0.923 111 T CB 0.306 69.205 68.868 0.052 0.000 1.126 111 T HN -0.160 nan 8.240 nan 0.000 0.538 112 V N 0.592 120.518 119.914 0.019 0.000 3.130 112 V HA 0.638 4.755 4.120 -0.005 0.000 0.310 112 V C -1.710 174.381 176.094 -0.004 0.000 1.158 112 V CA -0.781 61.533 62.300 0.024 0.000 1.029 112 V CB 2.527 34.346 31.823 -0.008 0.000 1.057 112 V HN 0.379 nan 8.190 nan 0.000 0.436 113 Q N 3.688 123.510 119.800 0.036 0.000 2.372 113 Q HA 0.575 4.912 4.340 -0.005 0.000 0.273 113 Q C -2.727 173.299 176.000 0.043 0.000 1.078 113 Q CA -1.811 54.004 55.803 0.021 0.000 0.806 113 Q CB 2.666 31.442 28.738 0.062 0.000 1.332 113 Q HN 0.497 nan 8.270 nan 0.000 0.435 114 P HA 0.354 nan 4.420 nan 0.000 0.286 114 P C -0.042 177.322 177.300 0.106 0.000 1.292 114 P CA -0.820 62.345 63.100 0.107 0.000 0.842 114 P CB 1.303 33.031 31.700 0.046 0.000 1.207 115 I N 0.216 120.872 120.570 0.144 0.000 2.880 115 I HA -0.084 4.083 4.170 -0.005 0.000 0.296 115 I C -0.036 176.165 176.117 0.140 0.000 1.220 115 I CA 0.031 61.403 61.300 0.121 0.000 1.435 115 I CB 0.048 38.165 38.000 0.194 0.000 1.339 115 I HN 0.121 nan 8.210 nan 0.000 0.583 116 L N 7.788 129.100 121.223 0.149 0.000 2.295 116 L HA 0.202 4.539 4.340 -0.005 0.000 0.288 116 L C 0.708 177.685 176.870 0.178 0.000 1.079 116 L CA -0.431 54.516 54.840 0.179 0.000 0.830 116 L CB 0.667 42.881 42.059 0.260 0.000 1.200 116 L HN 0.675 nan 8.230 nan 0.000 0.438 117 T N -0.700 113.877 114.554 0.039 0.000 2.766 117 T HA 0.086 4.433 4.350 -0.005 0.000 0.295 117 T C 1.422 176.052 174.700 -0.117 0.000 1.024 117 T CA -0.262 61.725 62.100 -0.188 0.000 1.018 117 T CB 1.457 70.136 68.868 -0.315 0.000 1.002 117 T HN 0.379 nan 8.240 nan 0.000 0.532 118 V N -0.558 119.243 119.914 -0.188 0.000 2.913 118 V HA -0.022 4.094 4.120 -0.005 0.000 0.260 118 V C 2.108 178.176 176.094 -0.044 0.000 1.098 118 V CA 1.689 63.944 62.300 -0.075 0.000 1.121 118 V CB -1.137 30.657 31.823 -0.049 0.000 0.714 118 V HN 0.949 nan 8.190 nan 0.000 0.487 119 E N 1.162 121.322 120.200 -0.067 0.000 2.076 119 E HA -0.158 4.189 4.350 -0.005 0.000 0.190 119 E C 1.807 178.402 176.600 -0.008 0.000 0.979 119 E CA 1.561 57.944 56.400 -0.030 0.000 0.807 119 E CB -0.102 29.578 29.700 -0.034 0.000 0.761 119 E HN 0.908 nan 8.360 nan 0.000 0.454 120 D N 0.195 120.591 120.400 -0.007 0.000 2.312 120 D HA -0.103 4.534 4.640 -0.005 0.000 0.211 120 D C 1.708 178.028 176.300 0.034 0.000 0.964 120 D CA 0.540 54.549 54.000 0.015 0.000 0.877 120 D CB -0.077 40.736 40.800 0.022 0.000 0.924 120 D HN 0.168 nan 8.370 nan 0.000 0.515 121 L N -0.246 120.998 121.223 0.035 0.000 2.202 121 L HA 0.006 4.343 4.340 -0.005 0.000 0.205 121 L C 1.878 178.776 176.870 0.046 0.000 1.083 121 L CA 0.377 55.248 54.840 0.051 0.000 0.790 121 L CB -0.141 41.940 42.059 0.037 0.000 0.942 121 L HN 0.159 nan 8.230 nan 0.000 0.452 122 C N -0.159 119.161 119.300 0.032 0.000 2.419 122 C HA -0.117 4.339 4.460 -0.005 0.000 0.281 122 C C 3.092 178.104 174.990 0.037 0.000 1.336 122 C CA 1.256 60.296 59.018 0.037 0.000 1.770 122 C CB -0.798 26.960 27.740 0.030 0.000 1.929 122 C HN 0.646 nan 8.230 nan 0.000 0.509 123 S N -0.341 115.378 115.700 0.030 0.000 2.436 123 S HA -0.128 4.339 4.470 -0.005 0.000 0.228 123 S C 1.530 176.148 174.600 0.029 0.000 1.014 123 S CA 1.607 59.821 58.200 0.025 0.000 0.950 123 S CB -0.852 62.359 63.200 0.018 0.000 0.784 123 S HN 0.613 nan 8.310 nan 0.000 0.504 124 T N 2.498 117.076 114.554 0.040 0.000 2.685 124 T HA -0.201 4.146 4.350 -0.005 0.000 0.268 124 T C 1.671 176.400 174.700 0.048 0.000 1.034 124 T CA 1.912 64.040 62.100 0.047 0.000 1.149 124 T CB -0.449 68.461 68.868 0.069 0.000 0.860 124 T HN 0.638 nan 8.240 nan 0.000 0.449 125 E N 0.153 120.384 120.200 0.052 0.000 2.077 125 E HA -0.189 4.158 4.350 -0.005 0.000 0.193 125 E C 2.275 178.882 176.600 0.011 0.000 0.989 125 E CA 1.064 57.489 56.400 0.040 0.000 0.800 125 E CB 0.006 29.731 29.700 0.042 0.000 0.746 125 E HN 0.284 nan 8.360 nan 0.000 0.452 126 E N -0.160 120.044 120.200 0.007 0.000 2.106 126 E HA -0.134 4.213 4.350 -0.005 0.000 0.192 126 E C 2.057 178.660 176.600 0.006 0.000 0.984 126 E CA 1.025 57.423 56.400 -0.002 0.000 0.806 126 E CB -0.117 29.583 29.700 -0.000 0.000 0.750 126 E HN 0.284 nan 8.360 nan 0.000 0.458 127 V N 0.661 120.583 119.914 0.013 0.000 2.427 127 V HA -0.206 3.910 4.120 -0.005 0.000 0.248 127 V C 2.163 178.268 176.094 0.017 0.000 1.051 127 V CA 1.885 64.192 62.300 0.012 0.000 1.048 127 V CB -0.738 31.092 31.823 0.011 0.000 0.666 127 V HN 0.436 nan 8.190 nan 0.000 0.456 128 I N -1.597 118.991 120.570 0.030 0.000 2.546 128 I HA -0.048 4.119 4.170 -0.005 0.000 0.255 128 I C 2.707 178.849 176.117 0.042 0.000 1.163 128 I CA 1.453 62.780 61.300 0.045 0.000 1.457 128 I CB -0.671 37.374 38.000 0.075 0.000 1.092 128 I HN 0.130 nan 8.210 nan 0.000 0.434 129 R N 1.227 121.742 120.500 0.026 0.000 2.096 129 R HA -0.044 4.293 4.340 -0.005 0.000 0.235 129 R C 1.338 177.646 176.300 0.014 0.000 1.127 129 R CA 1.448 57.558 56.100 0.016 0.000 0.968 129 R CB -0.213 30.080 30.300 -0.011 0.000 0.861 129 R HN 0.500 nan 8.270 nan 0.000 0.440 130 N N 0.593 119.298 118.700 0.009 0.000 2.336 130 N HA -0.059 4.678 4.740 -0.005 0.000 0.189 130 N C -0.470 175.040 175.510 -0.000 0.000 1.113 130 N CA 0.294 53.346 53.050 0.004 0.000 0.858 130 N CB 0.247 38.735 38.487 0.001 0.000 0.970 130 N HN 0.234 nan 8.380 nan 0.000 0.471 131 D N 1.448 121.849 120.400 0.001 0.000 2.295 131 D HA 0.107 4.744 4.640 -0.005 0.000 0.248 131 D C -1.688 174.599 176.300 -0.022 0.000 1.154 131 D CA -1.852 52.142 54.000 -0.009 0.000 0.857 131 D CB 2.289 43.085 40.800 -0.006 0.000 1.117 131 D HN -0.064 nan 8.370 nan 0.000 0.468 132 P HA -0.160 nan 4.420 nan 0.000 0.216 132 P C 0.992 178.253 177.300 -0.065 0.000 1.153 132 P CA 1.398 64.475 63.100 -0.039 0.000 0.858 132 P CB 0.192 31.871 31.700 -0.035 0.000 0.789 133 A N -0.620 122.154 122.820 -0.076 0.000 1.858 133 A HA -0.160 4.157 4.320 -0.005 0.000 0.216 133 A C 2.372 179.856 177.584 -0.167 0.000 1.190 133 A CA 1.967 53.932 52.037 -0.120 0.000 0.617 133 A CB -1.714 17.214 19.000 -0.120 0.000 0.827 133 A HN 0.032 nan 8.150 nan 0.000 0.443 134 V N 0.303 120.143 119.914 -0.122 0.000 2.332 134 V HA -0.294 3.822 4.120 -0.005 0.000 0.248 134 V C 2.422 178.442 176.094 -0.124 0.000 1.055 134 V CA 2.124 64.349 62.300 -0.125 0.000 1.038 134 V CB -0.767 31.073 31.823 0.028 0.000 0.651 134 V HN 0.569 nan 8.190 nan 0.000 0.450 135 I N -0.039 120.490 120.570 -0.069 0.000 2.286 135 I HA -0.269 3.897 4.170 -0.005 0.000 0.248 135 I C 2.585 178.654 176.117 -0.081 0.000 1.115 135 I CA 1.957 63.230 61.300 -0.045 0.000 1.392 135 I CB -0.361 37.623 38.000 -0.026 0.000 1.065 135 I HN 0.408 nan 8.210 nan 0.000 0.418 136 E N 0.520 120.650 120.200 -0.117 0.000 2.110 136 E HA -0.248 4.099 4.350 -0.005 0.000 0.193 136 E C 2.173 178.663 176.600 -0.183 0.000 0.988 136 E CA 0.997 57.321 56.400 -0.127 0.000 0.804 136 E CB 0.153 29.777 29.700 -0.127 0.000 0.745 136 E HN 0.417 nan 8.360 nan 0.000 0.458 137 Q N -0.029 119.577 119.800 -0.324 0.000 2.119 137 Q HA -0.116 4.220 4.340 -0.005 0.000 0.201 137 Q C 2.375 178.199 176.000 -0.294 0.000 0.972 137 Q CA 1.052 56.544 55.803 -0.519 0.000 0.847 137 Q CB -0.582 27.381 28.738 -1.292 0.000 0.903 137 Q HN 0.431 nan 8.270 nan 0.000 0.433 138 C N -0.185 119.031 119.300 -0.141 0.000 2.453 138 C HA -0.061 4.395 4.460 -0.005 0.000 0.277 138 C C 2.868 177.859 174.990 0.002 0.000 1.262 138 C CA 0.417 59.470 59.018 0.058 0.000 1.718 138 C CB -0.933 26.863 27.740 0.093 0.000 2.031 138 C HN 0.251 nan 8.230 nan 0.000 0.480 139 V N 0.679 120.573 119.914 -0.034 0.000 2.287 139 V HA -0.204 3.913 4.120 -0.005 0.000 0.248 139 V C 2.436 178.508 176.094 -0.036 0.000 1.053 139 V CA 1.612 63.892 62.300 -0.033 0.000 1.027 139 V CB -0.709 31.091 31.823 -0.038 0.000 0.646 139 V HN 0.397 nan 8.190 nan 0.000 0.447 140 L N 0.186 121.376 121.223 -0.054 0.000 2.079 140 L HA -0.122 4.214 4.340 -0.005 0.000 0.210 140 L C 2.423 179.281 176.870 -0.019 0.000 1.081 140 L CA 1.915 56.727 54.840 -0.047 0.000 0.752 140 L CB -1.206 40.807 42.059 -0.076 0.000 0.896 140 L HN 0.320 nan 8.230 nan 0.000 0.433 141 S N -0.712 114.990 115.700 0.003 0.000 2.603 141 S HA 0.191 4.658 4.470 -0.005 0.000 0.229 141 S C 1.385 175.976 174.600 -0.016 0.000 0.972 141 S CA 0.703 58.923 58.200 0.033 0.000 0.935 141 S CB -0.149 63.129 63.200 0.130 0.000 0.769 141 S HN 0.682 nan 8.310 nan 0.000 0.536 142 G N 1.099 109.879 108.800 -0.033 0.000 2.134 142 G HA2 -0.202 3.755 3.960 -0.005 0.000 0.209 142 G HA3 -0.202 3.755 3.960 -0.005 0.000 0.209 142 G C -0.122 174.723 174.900 -0.091 0.000 0.993 142 G CA -0.406 44.660 45.100 -0.056 0.000 0.669 142 G HN 0.478 nan 8.290 nan 0.000 0.519 143 I N 1.582 122.107 120.570 -0.076 0.000 2.382 143 I HA 0.332 4.499 4.170 -0.005 0.000 0.285 143 I C -2.206 173.901 176.117 -0.018 0.000 1.007 143 I CA -2.537 58.714 61.300 -0.081 0.000 1.142 143 I CB 2.087 40.033 38.000 -0.090 0.000 1.289 143 I HN -0.181 nan 8.210 nan 0.000 0.453 144 P HA -0.049 nan 4.420 nan 0.000 0.265 144 P C 0.616 177.932 177.300 0.025 0.000 1.187 144 P CA 0.094 63.202 63.100 0.013 0.000 0.766 144 P CB 0.832 32.547 31.700 0.025 0.000 0.820 145 A N 3.739 126.569 122.820 0.018 0.000 2.131 145 A HA -0.206 4.110 4.320 -0.005 0.000 0.220 145 A C 1.546 179.154 177.584 0.040 0.000 1.158 145 A CA 1.741 53.791 52.037 0.021 0.000 0.665 145 A CB -1.295 17.710 19.000 0.007 0.000 0.795 145 A HN 0.802 nan 8.150 nan 0.000 0.460 146 N N -1.473 117.257 118.700 0.050 0.000 2.398 146 N HA 0.033 4.770 4.740 -0.005 0.000 0.188 146 N C 0.570 176.158 175.510 0.131 0.000 1.122 146 N CA 0.365 53.459 53.050 0.073 0.000 0.866 146 N CB 0.072 38.595 38.487 0.059 0.000 0.970 146 N HN 0.526 nan 8.380 nan 0.000 0.462 147 E N -0.060 120.207 120.200 0.111 0.000 2.624 147 E HA 0.205 4.552 4.350 -0.005 0.000 0.210 147 E C 0.820 177.427 176.600 0.012 0.000 0.997 147 E CA -0.317 56.142 56.400 0.098 0.000 0.999 147 E CB 0.355 30.099 29.700 0.073 0.000 1.040 147 E HN 0.301 nan 8.360 nan 0.000 0.469 148 M N 0.812 120.454 119.600 0.070 0.000 2.623 148 M HA -0.139 4.338 4.480 -0.005 0.000 0.258 148 M C 1.803 178.096 176.300 -0.011 0.000 1.067 148 M CA 1.311 56.634 55.300 0.039 0.000 1.068 148 M CB -0.996 31.632 32.600 0.047 0.000 1.409 148 M HN 0.365 nan 8.290 nan 0.000 0.504 149 H N -0.815 118.241 119.070 -0.024 0.000 2.547 149 H HA 0.047 4.600 4.556 -0.005 0.000 0.272 149 H C 0.883 176.131 175.328 -0.134 0.000 0.989 149 H CA 0.662 56.654 56.048 -0.093 0.000 1.214 149 H CB -0.279 29.450 29.762 -0.056 0.000 1.389 149 H HN 0.359 nan 8.280 nan 0.000 0.577 150 K N 1.003 121.104 120.400 -0.498 0.000 2.374 150 K HA 0.227 4.544 4.320 -0.005 0.000 0.196 150 K C -0.011 176.601 176.600 0.020 0.000 1.023 150 K CA -0.097 56.022 56.287 -0.280 0.000 1.103 150 K CB 1.309 33.603 32.500 -0.344 0.000 0.848 150 K HN -0.014 nan 8.250 nan 0.000 0.528 151 V N 2.267 122.166 119.914 -0.025 0.000 2.383 151 V HA 0.207 4.323 4.120 -0.005 0.000 0.275 151 V C -0.722 175.338 176.094 -0.056 0.000 1.036 151 V CA -0.490 61.883 62.300 0.123 0.000 0.889 151 V CB 0.171 32.065 31.823 0.118 0.000 0.985 151 V HN 0.056 nan 8.190 nan 0.000 0.459 152 Y N 3.205 123.553 120.300 0.081 0.000 2.659 152 Y HA 0.806 5.352 4.550 -0.005 0.000 0.333 152 Y C 0.296 176.263 175.900 0.112 0.000 1.064 152 Y CA -1.002 57.143 58.100 0.075 0.000 1.141 152 Y CB 1.960 40.444 38.460 0.040 0.000 1.316 152 Y HN 0.815 nan 8.280 nan 0.000 0.509 153 C N -0.952 118.530 119.300 0.303 0.000 3.181 153 C HA 0.567 5.024 4.460 -0.005 0.000 0.362 153 C C -1.894 173.264 174.990 0.280 0.000 1.125 153 C CA -1.007 58.164 59.018 0.254 0.000 1.265 153 C CB 1.141 28.965 27.740 0.140 0.000 1.632 153 C HN 0.752 nan 8.230 nan 0.000 0.525 154 D N 4.723 125.339 120.400 0.359 0.000 2.274 154 D HA 0.526 5.162 4.640 -0.005 0.000 0.239 154 D C -2.295 174.264 176.300 0.432 0.000 1.104 154 D CA -1.045 53.197 54.000 0.403 0.000 0.840 154 D CB 1.887 43.045 40.800 0.598 0.000 1.100 154 D HN 0.573 nan 8.370 nan 0.000 0.477 155 P HA 0.248 nan 4.420 nan 0.000 0.287 155 P C -0.848 176.689 177.300 0.396 0.000 1.281 155 P CA -0.507 62.767 63.100 0.289 0.000 0.781 155 P CB 0.541 32.341 31.700 0.167 0.000 0.903 156 W N 1.086 122.457 121.300 0.117 0.000 2.820 156 W HA 0.371 5.028 4.660 -0.005 0.000 0.350 156 W C 0.264 176.898 176.519 0.192 0.000 1.116 156 W CA -0.291 57.179 57.345 0.208 0.000 1.146 156 W CB 0.564 30.115 29.460 0.151 0.000 1.433 156 W HN 0.142 nan 8.180 nan 0.000 0.561 157 T N 1.552 116.391 114.554 0.475 0.000 2.856 157 T HA 0.025 4.371 4.350 -0.005 0.000 0.306 157 T C 1.046 175.869 174.700 0.205 0.000 1.062 157 T CA -0.422 61.815 62.100 0.227 0.000 1.083 157 T CB 0.779 69.687 68.868 0.067 0.000 0.984 157 T HN 0.466 nan 8.240 nan 0.000 0.542 158 I N 0.658 121.296 120.570 0.112 0.000 3.001 158 I HA 0.088 4.255 4.170 -0.005 0.000 0.268 158 I C 1.697 177.843 176.117 0.050 0.000 1.267 158 I CA 1.501 62.841 61.300 0.067 0.000 1.472 158 I CB -0.811 37.212 38.000 0.039 0.000 1.089 158 I HN 1.062 nan 8.210 nan 0.000 0.468 159 G N 0.379 109.211 108.800 0.054 0.000 5.356 159 G HA2 -0.375 3.581 3.960 -0.005 0.000 0.309 159 G HA3 -0.375 3.581 3.960 -0.005 0.000 0.309 159 G C 0.024 175.019 174.900 0.160 0.000 1.451 159 G CA 0.439 45.523 45.100 -0.028 0.000 0.978 159 G HN 0.465 nan 8.290 nan 0.000 0.771 160 Y N 1.758 122.083 120.300 0.042 0.000 2.376 160 Y HA 0.567 5.114 4.550 -0.005 0.000 0.321 160 Y C -2.268 173.687 175.900 0.092 0.000 1.189 160 Y CA -0.558 57.595 58.100 0.088 0.000 1.069 160 Y CB 2.003 40.518 38.460 0.091 0.000 1.292 160 Y HN 0.457 nan 8.280 nan 0.000 0.430 161 D N 5.589 125.583 120.400 -0.676 0.000 2.575 161 D HA 0.126 4.763 4.640 -0.005 0.000 0.250 161 D C 0.550 176.427 176.300 -0.704 0.000 1.279 161 D CA -0.228 53.512 54.000 -0.432 0.000 0.925 161 D CB 1.460 42.274 40.800 0.023 0.000 1.261 161 D HN 0.841 nan 8.370 nan 0.000 0.567 162 E N 3.695 123.511 120.200 -0.641 0.000 2.401 162 E HA -0.184 4.163 4.350 -0.005 0.000 0.199 162 E C 0.887 177.266 176.600 -0.369 0.000 1.023 162 E CA 0.603 56.759 56.400 -0.406 0.000 0.859 162 E CB -0.002 29.630 29.700 -0.114 0.000 0.780 162 E HN 0.471 nan 8.360 nan 0.000 0.523 163 R N -0.702 119.481 120.500 -0.529 0.000 2.148 163 R HA 0.005 4.342 4.340 -0.005 0.000 0.223 163 R C 1.340 177.065 176.300 -0.958 0.000 1.088 163 R CA 1.374 56.941 56.100 -0.889 0.000 0.985 163 R CB 0.021 29.421 30.300 -1.500 0.000 0.880 163 R HN 0.346 nan 8.270 nan 0.000 0.451 164 W N -0.775 120.418 121.300 -0.179 0.000 2.592 164 W HA 0.313 4.969 4.660 -0.006 0.000 0.306 164 W C 1.043 177.513 176.519 -0.083 0.000 0.991 164 W CA 0.450 57.725 57.345 -0.117 0.000 1.430 164 W CB -0.037 29.361 29.460 -0.103 0.000 1.017 164 W HN 0.217 nan 8.180 nan 0.000 0.557 165 G N 2.123 110.944 108.800 0.036 0.000 2.611 165 G HA2 -0.422 3.535 3.960 -0.005 0.000 0.301 165 G HA3 -0.422 3.535 3.960 -0.005 0.000 0.301 165 G C 0.752 175.763 174.900 0.184 0.000 1.233 165 G CA 2.227 47.405 45.100 0.130 0.000 0.993 165 G HN 0.156 nan 8.290 nan 0.000 0.553 166 T N -1.918 112.746 114.554 0.183 0.000 3.129 166 T HA 0.512 4.859 4.350 -0.005 0.000 0.267 166 T C 2.026 176.791 174.700 0.109 0.000 1.018 166 T CA 1.020 63.212 62.100 0.152 0.000 0.903 166 T CB 0.737 69.697 68.868 0.153 0.000 1.067 166 T HN 1.585 nan 8.240 nan 0.000 0.549 167 G N 1.666 110.538 108.800 0.120 0.000 2.470 167 G HA2 0.052 4.009 3.960 -0.005 0.000 0.220 167 G HA3 0.052 4.009 3.960 -0.005 0.000 0.220 167 G C 0.378 175.322 174.900 0.074 0.000 1.121 167 G CA 0.135 45.294 45.100 0.099 0.000 0.766 167 G HN 0.511 nan 8.290 nan 0.000 0.553 168 K N -0.667 119.773 120.400 0.066 0.000 2.501 168 K HA 0.360 4.677 4.320 -0.005 0.000 0.252 168 K C -0.929 175.666 176.600 -0.008 0.000 0.934 168 K CA -0.903 55.385 56.287 0.002 0.000 0.797 168 K CB 2.434 34.891 32.500 -0.071 0.000 1.270 168 K HN 0.009 nan 8.250 nan 0.000 0.431 169 R N 3.263 123.752 120.500 -0.019 0.000 2.288 169 R HA 0.199 4.535 4.340 -0.005 0.000 0.330 169 R C -0.918 175.360 176.300 -0.037 0.000 1.069 169 R CA -0.232 55.862 56.100 -0.009 0.000 0.941 169 R CB 0.196 30.492 30.300 -0.007 0.000 0.998 169 R HN 0.292 nan 8.270 nan 0.000 0.452 170 L N 2.945 124.149 121.223 -0.032 0.000 2.303 170 L HA 0.524 4.861 4.340 -0.005 0.000 0.266 170 L C -0.250 176.619 176.870 -0.002 0.000 1.011 170 L CA -0.710 54.089 54.840 -0.068 0.000 0.818 170 L CB 1.952 43.920 42.059 -0.152 0.000 1.326 170 L HN 0.707 nan 8.230 nan 0.000 0.435 171 Q N 0.419 120.218 119.800 -0.002 0.000 2.456 171 Q HA 0.582 4.918 4.340 -0.005 0.000 0.283 171 Q C -1.456 174.573 176.000 0.047 0.000 1.084 171 Q CA -0.824 55.021 55.803 0.070 0.000 0.801 171 Q CB 3.385 32.179 28.738 0.093 0.000 1.434 171 Q HN 0.613 nan 8.270 nan 0.000 0.419 172 Q N -0.127 119.728 119.800 0.093 0.000 2.365 172 Q HA 0.830 5.167 4.340 -0.005 0.000 0.269 172 Q C -1.499 174.530 176.000 0.048 0.000 1.061 172 Q CA -1.044 54.778 55.803 0.031 0.000 0.816 172 Q CB 2.064 30.784 28.738 -0.031 0.000 1.325 172 Q HN 0.527 nan 8.270 nan 0.000 0.446 173 A N 4.332 127.159 122.820 0.011 0.000 2.256 173 A HA 0.461 4.778 4.320 -0.005 0.000 0.317 173 A C -0.395 177.142 177.584 -0.079 0.000 1.318 173 A CA -0.815 51.237 52.037 0.025 0.000 0.894 173 A CB 0.419 19.451 19.000 0.053 0.000 1.165 173 A HN 0.798 nan 8.150 nan 0.000 0.525 174 L N 4.008 125.171 121.223 -0.101 0.000 2.342 174 L HA 0.214 4.551 4.340 -0.005 0.000 0.285 174 L C -0.318 176.418 176.870 -0.223 0.000 1.095 174 L CA -0.441 54.263 54.840 -0.226 0.000 0.843 174 L CB 0.619 42.554 42.059 -0.207 0.000 1.201 174 L HN 0.405 nan 8.230 nan 0.000 0.445 175 V N 4.369 124.036 119.914 -0.413 0.000 2.583 175 V HA 0.278 4.395 4.120 -0.005 0.000 0.287 175 V C -0.333 175.400 176.094 -0.601 0.000 1.051 175 V CA -0.167 61.901 62.300 -0.386 0.000 1.010 175 V CB 0.820 32.340 31.823 -0.504 0.000 0.988 175 V HN 0.427 nan 8.190 nan 0.000 0.478 176 Y N 2.808 123.113 120.300 0.008 0.000 2.669 176 Y HA 0.648 5.195 4.550 -0.006 0.000 0.335 176 Y C -0.761 175.265 175.900 0.210 0.000 1.116 176 Y CA -1.030 57.102 58.100 0.054 0.000 1.081 176 Y CB 1.999 40.417 38.460 -0.069 0.000 1.297 176 Y HN 0.591 nan 8.280 nan 0.000 0.484 177 Y N 1.058 121.535 120.300 0.296 0.000 2.457 177 Y HA 0.671 5.217 4.550 -0.006 0.000 0.343 177 Y C -1.341 174.723 175.900 0.273 0.000 0.994 177 Y CA -1.247 57.007 58.100 0.256 0.000 1.031 177 Y CB 1.386 39.963 38.460 0.194 0.000 1.246 177 Y HN 0.551 nan 8.280 nan 0.000 0.449 178 R N 3.232 123.389 120.500 -0.571 0.000 2.494 178 R HA 0.332 4.669 4.340 -0.005 0.000 0.305 178 R C 0.331 175.948 176.300 -1.137 0.000 0.959 178 R CA -0.142 55.510 56.100 -0.746 0.000 0.864 178 R CB 1.772 31.729 30.300 -0.572 0.000 1.159 178 R HN 0.889 nan 8.270 nan 0.000 0.446 179 S N -0.008 115.043 115.700 -1.082 0.000 2.528 179 S HA -0.028 4.439 4.470 -0.005 0.000 0.219 179 S C 0.241 174.609 174.600 -0.387 0.000 0.985 179 S CA 0.180 58.015 58.200 -0.608 0.000 0.914 179 S CB -0.026 63.011 63.200 -0.271 0.000 0.776 179 S HN 0.710 nan 8.310 nan 0.000 0.526 180 D N 0.358 120.491 120.400 -0.444 0.000 2.927 180 D HA 0.172 4.808 4.640 -0.005 0.000 0.219 180 D C 0.678 176.820 176.300 -0.262 0.000 1.248 180 D CA -0.522 53.322 54.000 -0.260 0.000 0.861 180 D CB 1.290 41.968 40.800 -0.203 0.000 1.677 180 D HN 0.097 nan 8.370 nan 0.000 0.511 181 E N 1.779 121.896 120.200 -0.138 0.000 2.219 181 E HA -0.268 4.079 4.350 -0.005 0.000 0.198 181 E C 0.208 176.693 176.600 -0.191 0.000 0.998 181 E CA 1.186 57.517 56.400 -0.115 0.000 0.818 181 E CB -0.013 29.683 29.700 -0.008 0.000 0.741 181 E HN 0.388 nan 8.360 nan 0.000 0.477 182 D N 1.021 121.307 120.400 -0.190 0.000 2.349 182 D HA 0.033 4.670 4.640 -0.005 0.000 0.215 182 D C -0.153 176.014 176.300 -0.222 0.000 1.016 182 D CA 0.246 54.124 54.000 -0.204 0.000 0.870 182 D CB -0.123 40.570 40.800 -0.179 0.000 0.917 182 D HN 0.152 nan 8.370 nan 0.000 0.524 183 D N -0.116 120.096 120.400 -0.312 0.000 2.361 183 D HA 0.013 4.650 4.640 -0.005 0.000 0.239 183 D C 0.070 176.182 176.300 -0.314 0.000 1.200 183 D CA 0.326 54.087 54.000 -0.398 0.000 0.915 183 D CB 0.742 41.165 40.800 -0.628 0.000 1.170 183 D HN -0.215 nan 8.370 nan 0.000 0.444 184 S N -0.099 115.463 115.700 -0.230 0.000 2.422 184 S HA 0.064 4.530 4.470 -0.005 0.000 0.308 184 S C 1.119 175.730 174.600 0.019 0.000 1.097 184 S CA -0.678 57.482 58.200 -0.067 0.000 1.099 184 S CB 0.561 63.790 63.200 0.049 0.000 0.976 184 S HN 0.362 nan 8.310 nan 0.000 0.471 185 Q N 4.085 123.770 119.800 -0.192 0.000 2.291 185 Q HA -0.141 4.196 4.340 -0.005 0.000 0.205 185 Q C 0.407 176.281 176.000 -0.210 0.000 0.970 185 Q CA 1.472 57.152 55.803 -0.206 0.000 0.876 185 Q CB -0.566 27.889 28.738 -0.471 0.000 0.935 185 Q HN 0.878 nan 8.270 nan 0.000 0.455 186 Y N 2.254 122.481 120.300 -0.122 0.000 2.651 186 Y HA -0.132 4.415 4.550 -0.005 0.000 0.293 186 Y C 2.511 178.558 175.900 0.245 0.000 1.151 186 Y CA 1.253 59.306 58.100 -0.077 0.000 1.362 186 Y CB -0.102 38.332 38.460 -0.043 0.000 0.973 186 Y HN 0.366 nan 8.280 nan 0.000 0.561 187 S N -2.019 113.872 115.700 0.318 0.000 2.501 187 S HA -0.021 4.446 4.470 -0.005 0.000 0.220 187 S C 0.247 174.828 174.600 -0.031 0.000 0.997 187 S CA 0.237 58.575 58.200 0.230 0.000 0.919 187 S CB -0.313 62.919 63.200 0.053 0.000 0.778 187 S HN 0.447 nan 8.310 nan 0.000 0.523 188 H N 2.576 121.681 119.070 0.059 0.000 2.317 188 H HA 0.469 5.022 4.556 -0.005 0.000 0.231 188 H C -2.779 172.679 175.328 0.217 0.000 1.442 188 H CA -1.873 54.236 56.048 0.103 0.000 1.336 188 H CB 0.605 30.415 29.762 0.080 0.000 1.533 188 H HN 0.367 nan 8.280 nan 0.000 0.522 189 P HA 0.087 nan 4.420 nan 0.000 0.276 189 P C -0.067 177.099 177.300 -0.223 0.000 1.244 189 P CA -0.288 62.743 63.100 -0.115 0.000 0.801 189 P CB 1.901 33.499 31.700 -0.169 0.000 1.006 190 L N 1.360 122.358 121.223 -0.375 0.000 2.365 190 L HA 0.266 4.603 4.340 -0.005 0.000 0.267 190 L C 1.603 178.253 176.870 -0.367 0.000 1.033 190 L CA -0.464 54.173 54.840 -0.338 0.000 0.802 190 L CB 1.063 42.836 42.059 -0.476 0.000 1.267 190 L HN 0.393 nan 8.230 nan 0.000 0.457 191 D N -0.525 119.761 120.400 -0.190 0.000 2.349 191 D HA -0.026 4.611 4.640 -0.005 0.000 0.215 191 D C 0.076 176.482 176.300 0.176 0.000 1.016 191 D CA 0.170 54.167 54.000 -0.005 0.000 0.870 191 D CB -0.060 40.780 40.800 0.066 0.000 0.917 191 D HN 0.216 nan 8.370 nan 0.000 0.524 192 F N -0.687 119.305 119.950 0.069 0.000 2.541 192 F HA 0.626 5.150 4.527 -0.005 0.000 0.331 192 F C -0.574 175.238 175.800 0.020 0.000 1.057 192 F CA -2.078 55.952 58.000 0.051 0.000 0.975 192 F CB 1.252 40.260 39.000 0.014 0.000 1.246 192 F HN -0.122 nan 8.300 nan 0.000 0.484 193 C N 3.734 123.149 119.300 0.190 0.000 2.547 193 C HA 0.606 5.062 4.460 -0.005 0.000 0.327 193 C C -2.869 172.213 174.990 0.154 0.000 1.076 193 C CA -2.084 56.966 59.018 0.054 0.000 1.390 193 C CB 0.173 27.879 27.740 -0.057 0.000 1.918 193 C HN 0.665 nan 8.230 nan 0.000 0.438 194 P HA 0.315 nan 4.420 nan 0.000 0.275 194 P C -0.642 176.706 177.300 0.080 0.000 1.227 194 P CA -0.030 63.158 63.100 0.146 0.000 0.781 194 P CB 0.432 32.228 31.700 0.160 0.000 0.906 195 I N 3.546 124.156 120.570 0.067 0.000 2.354 195 I HA 0.311 4.478 4.170 -0.005 0.000 0.292 195 I C -0.026 176.047 176.117 -0.072 0.000 0.989 195 I CA -0.703 60.581 61.300 -0.026 0.000 1.188 195 I CB 1.391 39.324 38.000 -0.112 0.000 1.342 195 I HN 0.050 nan 8.210 nan 0.000 0.457 196 V N 5.077 124.944 119.914 -0.079 0.000 2.604 196 V HA 0.283 4.400 4.120 -0.005 0.000 0.305 196 V C -0.179 175.856 176.094 -0.099 0.000 1.043 196 V CA -0.779 61.480 62.300 -0.067 0.000 0.888 196 V CB 2.344 34.160 31.823 -0.011 0.000 0.995 196 V HN 0.636 nan 8.190 nan 0.000 0.429 197 D N 3.164 123.502 120.400 -0.102 0.000 2.336 197 D HA 0.135 4.772 4.640 -0.005 0.000 0.249 197 D C 1.202 177.471 176.300 -0.051 0.000 1.213 197 D CA 0.192 54.131 54.000 -0.100 0.000 0.870 197 D CB 1.774 42.515 40.800 -0.098 0.000 1.076 197 D HN 0.602 nan 8.370 nan 0.000 0.483 198 T N 3.325 117.856 114.554 -0.037 0.000 2.607 198 T HA -0.206 4.141 4.350 -0.005 0.000 0.267 198 T C 1.541 176.232 174.700 -0.016 0.000 1.049 198 T CA 1.166 63.259 62.100 -0.013 0.000 1.162 198 T CB -0.033 68.835 68.868 0.000 0.000 0.863 198 T HN 0.553 nan 8.240 nan 0.000 0.424 199 E N 0.498 120.684 120.200 -0.023 0.000 2.031 199 E HA -0.172 4.175 4.350 -0.005 0.000 0.193 199 E C 2.200 178.787 176.600 -0.021 0.000 0.994 199 E CA 1.012 57.399 56.400 -0.023 0.000 0.800 199 E CB -0.021 29.663 29.700 -0.027 0.000 0.752 199 E HN 0.312 nan 8.360 nan 0.000 0.447 200 E N 0.685 120.870 120.200 -0.025 0.000 2.338 200 E HA -0.083 4.264 4.350 -0.005 0.000 0.197 200 E C 0.107 176.697 176.600 -0.018 0.000 1.007 200 E CA 0.307 56.694 56.400 -0.022 0.000 0.849 200 E CB -0.056 29.629 29.700 -0.026 0.000 0.774 200 E HN 0.217 nan 8.360 nan 0.000 0.506 201 K N 0.651 121.040 120.400 -0.018 0.000 3.419 201 K HA -0.230 4.086 4.320 -0.005 0.000 0.272 201 K C -0.323 176.270 176.600 -0.012 0.000 0.973 201 K CA 0.830 57.111 56.287 -0.011 0.000 0.749 201 K CB -1.514 30.983 32.500 -0.006 0.000 1.403 201 K HN 0.314 nan 8.250 nan 0.000 0.456 202 K N -2.684 117.705 120.400 -0.019 0.000 2.578 202 K HA 0.393 4.710 4.320 -0.005 0.000 0.269 202 K C -0.582 176.002 176.600 -0.027 0.000 0.941 202 K CA -1.155 55.121 56.287 -0.018 0.000 0.847 202 K CB 1.456 33.946 32.500 -0.017 0.000 1.397 202 K HN -0.108 nan 8.250 nan 0.000 0.422 203 V N 3.929 123.833 119.914 -0.017 0.000 2.479 203 V HA 0.065 4.182 4.120 -0.005 0.000 0.281 203 V C 1.231 177.313 176.094 -0.020 0.000 1.031 203 V CA 0.014 62.303 62.300 -0.018 0.000 1.038 203 V CB 0.180 32.000 31.823 -0.005 0.000 0.981 203 V HN 0.834 nan 8.190 nan 0.000 0.478 204 I N 1.879 122.428 120.570 -0.036 0.000 3.968 204 I HA 0.528 4.695 4.170 -0.005 0.000 0.328 204 I C 0.057 176.271 176.117 0.162 0.000 1.290 204 I CA 0.411 61.711 61.300 -0.000 0.000 1.163 204 I CB 0.375 38.305 38.000 -0.116 0.000 1.024 204 I HN 0.462 nan 8.210 nan 0.000 0.413 205 F N 0.986 120.907 119.950 -0.049 0.000 2.746 205 F HA 0.578 5.102 4.527 -0.005 0.000 0.311 205 F C -1.955 173.877 175.800 0.052 0.000 1.135 205 F CA -0.932 57.098 58.000 0.050 0.000 0.954 205 F CB 1.592 40.699 39.000 0.178 0.000 1.276 205 F HN -0.227 nan 8.300 nan 0.000 0.440 206 I N 3.725 124.084 120.570 -0.350 0.000 2.478 206 I HA 0.274 4.440 4.170 -0.005 0.000 0.287 206 I C -1.337 174.779 176.117 -0.003 0.000 1.042 206 I CA -0.782 60.477 61.300 -0.069 0.000 1.067 206 I CB 1.788 39.710 38.000 -0.130 0.000 1.233 206 I HN 0.347 nan 8.210 nan 0.000 0.431 207 D N 7.609 128.173 120.400 0.274 0.000 2.325 207 D HA 0.436 5.073 4.640 -0.005 0.000 0.251 207 D C -0.295 176.145 176.300 0.233 0.000 1.196 207 D CA 0.301 54.507 54.000 0.344 0.000 0.866 207 D CB 1.383 42.377 40.800 0.324 0.000 1.101 207 D HN 0.283 nan 8.370 nan 0.000 0.476 208 I N 4.537 125.218 120.570 0.185 0.000 2.433 208 I HA 0.249 4.416 4.170 -0.005 0.000 0.292 208 I C -1.892 174.317 176.117 0.153 0.000 1.001 208 I CA -1.935 59.459 61.300 0.157 0.000 1.119 208 I CB 1.989 40.023 38.000 0.057 0.000 1.289 208 I HN 0.103 nan 8.210 nan 0.000 0.438 209 P HA 0.165 nan 4.420 nan 0.000 0.272 209 P C -0.193 177.172 177.300 0.107 0.000 1.223 209 P CA -0.317 62.874 63.100 0.151 0.000 0.784 209 P CB 1.015 32.833 31.700 0.196 0.000 0.923 210 N N 0.691 119.444 118.700 0.088 0.000 2.244 210 N HA -0.086 4.651 4.740 -0.005 0.000 0.183 210 N C 0.923 176.470 175.510 0.062 0.000 1.016 210 N CA 0.817 53.903 53.050 0.060 0.000 0.866 210 N CB 0.192 38.706 38.487 0.045 0.000 0.980 210 N HN 0.431 nan 8.380 nan 0.000 0.430 211 R N 1.893 122.442 120.500 0.082 0.000 2.215 211 R HA 0.145 4.482 4.340 -0.005 0.000 0.336 211 R C -0.731 175.621 176.300 0.087 0.000 0.996 211 R CA -0.513 55.633 56.100 0.077 0.000 0.847 211 R CB 0.575 30.927 30.300 0.087 0.000 1.127 211 R HN -0.130 nan 8.270 nan 0.000 0.465 212 R N 3.429 123.968 120.500 0.065 0.000 2.390 212 R HA 0.257 4.594 4.340 -0.005 0.000 0.291 212 R C -0.394 175.935 176.300 0.047 0.000 1.070 212 R CA -0.564 55.574 56.100 0.064 0.000 1.014 212 R CB 0.737 31.065 30.300 0.046 0.000 1.007 212 R HN 0.504 nan 8.270 nan 0.000 0.466 213 R N 1.567 122.092 120.500 0.042 0.000 2.451 213 R HA 0.294 4.631 4.340 -0.005 0.000 0.307 213 R C -0.363 175.936 176.300 -0.001 0.000 0.965 213 R CA -0.421 55.683 56.100 0.006 0.000 0.865 213 R CB 1.742 32.022 30.300 -0.033 0.000 1.174 213 R HN 0.370 nan 8.270 nan 0.000 0.455 214 K N 1.345 121.744 120.400 -0.002 0.000 2.168 214 K HA 0.286 4.603 4.320 -0.005 0.000 0.258 214 K C -0.047 176.540 176.600 -0.022 0.000 1.010 214 K CA -0.775 55.508 56.287 -0.006 0.000 0.929 214 K CB 0.819 33.313 32.500 -0.010 0.000 0.998 214 K HN 0.205 nan 8.250 nan 0.000 0.479 215 V N 1.037 120.932 119.914 -0.031 0.000 2.872 215 V HA -0.125 3.992 4.120 -0.005 0.000 0.302 215 V C 0.753 176.861 176.094 0.025 0.000 1.166 215 V CA -0.040 62.247 62.300 -0.021 0.000 1.298 215 V CB 0.518 32.271 31.823 -0.116 0.000 0.894 215 V HN 0.809 nan 8.190 nan 0.000 0.509 216 S N 2.451 118.192 115.700 0.068 0.000 2.562 216 S HA 0.193 4.660 4.470 -0.005 0.000 0.281 216 S C 0.626 175.353 174.600 0.212 0.000 1.333 216 S CA -0.298 57.939 58.200 0.062 0.000 1.052 216 S CB 0.469 63.551 63.200 -0.196 0.000 0.884 216 S HN 0.780 nan 8.310 nan 0.000 0.506 217 K N 1.934 122.380 120.400 0.077 0.000 2.397 217 K HA 0.202 4.519 4.320 -0.005 0.000 0.202 217 K C -0.265 176.356 176.600 0.034 0.000 1.022 217 K CA -0.064 56.249 56.287 0.043 0.000 1.141 217 K CB 0.120 32.570 32.500 -0.083 0.000 0.857 217 K HN 0.696 nan 8.250 nan 0.000 0.514 218 H N 0.479 119.700 119.070 0.252 0.000 2.508 218 H HA 0.173 4.726 4.556 -0.005 0.000 0.358 218 H C -0.118 175.450 175.328 0.401 0.000 1.212 218 H CA -0.223 55.969 56.048 0.240 0.000 1.356 218 H CB 0.764 30.605 29.762 0.132 0.000 1.525 218 H HN -0.167 nan 8.280 nan 0.000 0.578 219 K N 1.119 121.800 120.400 0.469 0.000 2.414 219 K HA 0.030 4.347 4.320 -0.005 0.000 0.272 219 K C -0.415 176.498 176.600 0.522 0.000 0.993 219 K CA -0.074 56.459 56.287 0.410 0.000 0.964 219 K CB 0.251 32.932 32.500 0.301 0.000 0.925 219 K HN 0.511 nan 8.250 nan 0.000 0.487 220 H N 0.096 119.307 119.070 0.235 0.000 2.771 220 H HA 0.113 4.666 4.556 -0.005 0.000 0.364 220 H C -0.192 175.139 175.328 0.006 0.000 1.133 220 H CA 0.233 56.381 56.048 0.167 0.000 1.423 220 H CB 0.770 30.490 29.762 -0.070 0.000 1.425 220 H HN 0.661 nan 8.280 nan 0.000 0.606 221 A N 4.284 127.024 122.820 -0.133 0.000 2.506 221 A HA 0.216 4.533 4.320 -0.005 0.000 0.320 221 A C -0.084 177.357 177.584 -0.237 0.000 1.424 221 A CA -0.711 51.136 52.037 -0.318 0.000 1.044 221 A CB -0.501 18.046 19.000 -0.755 0.000 1.140 221 A HN 0.670 nan 8.150 nan 0.000 0.538 222 N N 1.002 119.566 118.700 -0.227 0.000 2.477 222 N HA 0.594 5.331 4.740 -0.005 0.000 0.284 222 N C -0.125 175.294 175.510 -0.152 0.000 1.182 222 N CA -0.250 52.538 53.050 -0.436 0.000 0.949 222 N CB 1.166 39.000 38.487 -1.087 0.000 1.204 222 N HN 0.593 nan 8.380 nan 0.000 0.526 223 F N -2.170 117.755 119.950 -0.040 0.000 2.856 223 F HA 0.434 4.958 4.527 -0.005 0.000 0.338 223 F C -0.179 175.676 175.800 0.092 0.000 1.100 223 F CA -0.804 57.198 58.000 0.003 0.000 1.150 223 F CB -0.415 38.503 39.000 -0.136 0.000 1.101 223 F HN 0.212 nan 8.300 nan 0.000 0.548 224 Y N 2.627 123.047 120.300 0.199 0.000 2.326 224 Y HA 0.303 4.850 4.550 -0.005 0.000 0.333 224 Y C -1.056 174.868 175.900 0.040 0.000 1.240 224 Y CA -1.618 56.549 58.100 0.112 0.000 1.365 224 Y CB 0.257 38.679 38.460 -0.062 0.000 1.289 224 Y HN -0.231 nan 8.280 nan 0.000 0.548 225 P HA -0.303 nan 4.420 nan 0.000 0.217 225 P C 1.112 178.424 177.300 0.019 0.000 1.158 225 P CA 2.805 65.951 63.100 0.075 0.000 0.887 225 P CB 0.102 31.839 31.700 0.062 0.000 0.792 226 K N -1.025 119.328 120.400 -0.078 0.000 2.103 226 K HA -0.218 4.099 4.320 -0.005 0.000 0.207 226 K C 1.779 178.328 176.600 -0.086 0.000 1.048 226 K CA 1.778 57.984 56.287 -0.135 0.000 0.930 226 K CB -1.277 31.069 32.500 -0.257 0.000 0.716 226 K HN 0.284 nan 8.250 nan 0.000 0.444 227 H N 0.055 119.143 119.070 0.031 0.000 2.326 227 H HA 0.027 4.580 4.556 -0.006 0.000 0.301 227 H C 2.261 177.613 175.328 0.039 0.000 1.081 227 H CA 1.445 57.505 56.048 0.021 0.000 1.334 227 H CB 0.037 29.801 29.762 0.004 0.000 1.385 227 H HN 0.065 nan 8.280 nan 0.000 0.504 228 M N 0.306 120.013 119.600 0.178 0.000 2.086 228 M HA -0.130 4.347 4.480 -0.005 0.000 0.261 228 M C 2.416 178.767 176.300 0.085 0.000 1.067 228 M CA 1.343 56.715 55.300 0.120 0.000 1.116 228 M CB -0.827 31.834 32.600 0.102 0.000 1.348 228 M HN 0.277 nan 8.290 nan 0.000 0.407 229 I N -0.121 120.487 120.570 0.063 0.000 2.248 229 I HA -0.316 3.850 4.170 -0.005 0.000 0.248 229 I C 2.494 178.641 176.117 0.050 0.000 1.107 229 I CA 1.353 62.680 61.300 0.044 0.000 1.373 229 I CB -0.325 37.690 38.000 0.025 0.000 1.055 229 I HN 0.404 nan 8.210 nan 0.000 0.418 230 E N 0.319 120.556 120.200 0.062 0.000 2.072 230 E HA -0.232 4.115 4.350 -0.005 0.000 0.190 230 E C 2.120 178.765 176.600 0.076 0.000 0.982 230 E CA 0.968 57.408 56.400 0.067 0.000 0.803 230 E CB 0.094 29.843 29.700 0.081 0.000 0.755 230 E HN 0.355 nan 8.360 nan 0.000 0.453 231 K N 0.601 121.056 120.400 0.091 0.000 1.973 231 K HA -0.083 4.234 4.320 -0.005 0.000 0.210 231 K C 1.048 177.695 176.600 0.077 0.000 1.045 231 K CA 1.203 57.546 56.287 0.094 0.000 0.937 231 K CB 0.057 32.621 32.500 0.106 0.000 0.721 231 K HN 0.005 nan 8.250 nan 0.000 0.438 232 V N -2.267 117.689 119.914 0.070 0.000 2.834 232 V HA 0.470 4.586 4.120 -0.005 0.000 0.313 232 V C 1.303 177.426 176.094 0.049 0.000 1.060 232 V CA -0.360 61.974 62.300 0.057 0.000 0.989 232 V CB 1.028 32.884 31.823 0.054 0.000 1.041 232 V HN 0.401 nan 8.190 nan 0.000 0.459 233 G N 1.518 110.342 108.800 0.041 0.000 2.574 233 G HA2 0.156 4.113 3.960 -0.005 0.000 0.220 233 G HA3 0.156 4.113 3.960 -0.005 0.000 0.220 233 G C 0.559 175.478 174.900 0.032 0.000 1.173 233 G CA 1.691 46.812 45.100 0.034 0.000 0.772 233 G HN 1.821 nan 8.290 nan 0.000 0.585 234 A N -2.368 120.471 122.820 0.032 0.000 2.536 234 A HA 0.683 4.999 4.320 -0.005 0.000 0.293 234 A C -0.600 177.002 177.584 0.030 0.000 1.119 234 A CA -0.643 51.411 52.037 0.028 0.000 0.654 234 A CB 0.555 19.568 19.000 0.022 0.000 1.291 234 A HN 0.038 nan 8.150 nan 0.000 0.439 235 M N 0.804 120.420 119.600 0.027 0.000 2.247 235 M HA 0.373 4.850 4.480 -0.005 0.000 0.326 235 M C 0.563 176.875 176.300 0.021 0.000 1.134 235 M CA -0.011 55.305 55.300 0.027 0.000 1.136 235 M CB 0.396 33.012 32.600 0.025 0.000 1.454 235 M HN 0.723 nan 8.290 nan 0.000 0.467 236 R N 1.024 121.536 120.500 0.020 0.000 2.641 236 R HA 0.313 4.650 4.340 -0.005 0.000 0.269 236 R C -2.052 174.256 176.300 0.014 0.000 1.074 236 R CA -1.349 54.761 56.100 0.016 0.000 1.133 236 R CB -0.379 29.929 30.300 0.014 0.000 1.029 236 R HN 0.374 nan 8.270 nan 0.000 0.488 237 P HA -0.001 nan 4.420 nan 0.000 0.268 237 P C -0.606 176.700 177.300 0.009 0.000 1.205 237 P CA -0.207 62.899 63.100 0.010 0.000 0.771 237 P CB 0.504 32.210 31.700 0.009 0.000 0.858 238 E N 1.342 121.547 120.200 0.009 0.000 2.467 238 E HA 0.254 4.601 4.350 -0.005 0.000 0.264 238 E C -0.337 176.267 176.600 0.007 0.000 1.020 238 E CA 0.150 56.555 56.400 0.008 0.000 0.945 238 E CB 0.205 29.910 29.700 0.008 0.000 0.942 238 E HN 0.509 nan 8.360 nan 0.000 0.449 239 A N 4.748 127.572 122.820 0.006 0.000 2.306 239 A HA 0.574 4.891 4.320 -0.005 0.000 0.330 239 A C -2.219 175.368 177.584 0.005 0.000 1.146 239 A CA -1.569 50.471 52.037 0.005 0.000 0.827 239 A CB 0.235 19.237 19.000 0.004 0.000 1.178 239 A HN 0.617 nan 8.150 nan 0.000 0.490 240 P HA 0.177 nan 4.420 nan 0.000 0.262 240 P C -2.235 175.068 177.300 0.006 0.000 1.182 240 P CA -0.269 62.835 63.100 0.005 0.000 0.761 240 P CB -0.216 31.487 31.700 0.005 0.000 0.795 241 P HA 0.259 nan 4.420 nan 0.000 0.274 241 P C -0.658 176.647 177.300 0.008 0.000 1.237 241 P CA 0.055 63.159 63.100 0.007 0.000 0.793 241 P CB 0.978 32.683 31.700 0.008 0.000 0.977 242 I N 2.094 122.669 120.570 0.008 0.000 2.466 242 I HA 0.222 4.388 4.170 -0.005 0.000 0.279 242 I C -0.112 176.013 176.117 0.013 0.000 1.033 242 I CA -0.641 60.665 61.300 0.009 0.000 1.123 242 I CB 1.005 39.010 38.000 0.008 0.000 1.237 242 I HN 0.161 nan 8.210 nan 0.000 0.460 243 N N 5.992 124.700 118.700 0.014 0.000 2.438 243 N HA 0.399 5.135 4.740 -0.005 0.000 0.282 243 N C -0.597 174.926 175.510 0.021 0.000 1.037 243 N CA -0.403 52.657 53.050 0.017 0.000 0.942 243 N CB 2.826 41.322 38.487 0.015 0.000 1.136 243 N HN 0.158 nan 8.380 nan 0.000 0.481 244 V N 1.253 121.183 119.914 0.026 0.000 2.398 244 V HA 0.502 4.619 4.120 -0.005 0.000 0.286 244 V C 0.503 176.618 176.094 0.035 0.000 1.026 244 V CA -0.555 61.766 62.300 0.034 0.000 0.868 244 V CB 1.259 33.108 31.823 0.043 0.000 0.982 244 V HN 0.830 nan 8.190 nan 0.000 0.443 245 T N 2.631 117.207 114.554 0.036 0.000 2.912 245 T HA 0.553 4.900 4.350 -0.005 0.000 0.299 245 T C -0.844 173.879 174.700 0.038 0.000 1.052 245 T CA -0.660 61.460 62.100 0.034 0.000 0.996 245 T CB 2.090 70.973 68.868 0.025 0.000 1.070 245 T HN 0.591 nan 8.240 nan 0.000 0.465 246 Q N 3.411 123.233 119.800 0.037 0.000 2.907 246 Q HA 0.278 4.615 4.340 -0.005 0.000 0.262 246 Q C -1.638 174.375 176.000 0.021 0.000 0.997 246 Q CA -2.138 53.687 55.803 0.036 0.000 0.797 246 Q CB 1.610 30.376 28.738 0.047 0.000 1.228 246 Q HN 0.609 nan 8.270 nan 0.000 0.466 247 P HA -0.222 nan 4.420 nan 0.000 0.216 247 P C 0.098 177.401 177.300 0.005 0.000 1.154 247 P CA 1.447 64.553 63.100 0.011 0.000 0.865 247 P CB 0.430 32.137 31.700 0.012 0.000 0.789 248 E N -0.567 119.635 120.200 0.004 0.000 2.444 248 E HA 0.377 4.723 4.350 -0.005 0.000 0.191 248 E C 0.928 177.519 176.600 -0.016 0.000 1.041 248 E CA 0.092 56.490 56.400 -0.004 0.000 0.883 248 E CB 0.033 29.732 29.700 -0.002 0.000 1.024 248 E HN 0.280 nan 8.360 nan 0.000 0.470 249 G N 0.487 109.277 108.800 -0.017 0.000 2.582 249 G HA2 -0.200 3.757 3.960 -0.005 0.000 0.222 249 G HA3 -0.200 3.757 3.960 -0.005 0.000 0.222 249 G C -0.272 174.597 174.900 -0.051 0.000 1.311 249 G CA -0.586 44.488 45.100 -0.045 0.000 0.915 249 G HN 0.418 nan 8.290 nan 0.000 0.528 250 V N -2.517 117.314 119.914 -0.138 0.000 2.975 250 V HA 0.861 4.978 4.120 -0.005 0.000 0.318 250 V C 1.465 177.464 176.094 -0.158 0.000 1.077 250 V CA 0.808 63.009 62.300 -0.164 0.000 1.000 250 V CB 1.498 33.037 31.823 -0.473 0.000 1.066 250 V HN 2.271 nan 8.190 nan 0.000 0.452 251 S N 1.285 117.004 115.700 0.032 0.000 2.558 251 S HA 0.198 4.665 4.470 -0.005 0.000 0.217 251 S C 0.461 175.179 174.600 0.196 0.000 0.975 251 S CA -0.096 58.167 58.200 0.105 0.000 0.912 251 S CB -0.757 62.553 63.200 0.184 0.000 0.776 251 S HN 0.997 nan 8.310 nan 0.000 0.526 252 F N 1.317 121.416 119.950 0.249 0.000 2.378 252 F HA 0.763 5.286 4.527 -0.006 0.000 0.325 252 F C -0.182 175.660 175.800 0.071 0.000 1.097 252 F CA -1.345 56.789 58.000 0.224 0.000 1.079 252 F CB 0.808 39.898 39.000 0.152 0.000 1.240 252 F HN -0.060 nan 8.300 nan 0.000 0.519 253 K N 3.782 124.320 120.400 0.230 0.000 2.426 253 K HA 0.485 4.801 4.320 -0.005 0.000 0.254 253 K C -1.642 175.009 176.600 0.086 0.000 0.936 253 K CA -0.686 55.651 56.287 0.084 0.000 0.801 253 K CB 1.338 33.855 32.500 0.029 0.000 1.139 253 K HN 0.906 nan 8.250 nan 0.000 0.424 254 M N 3.096 122.737 119.600 0.068 0.000 2.227 254 M HA 0.232 4.709 4.480 -0.005 0.000 0.335 254 M C -0.785 175.515 176.300 0.001 0.000 1.053 254 M CA -0.604 54.681 55.300 -0.026 0.000 0.973 254 M CB 2.132 34.656 32.600 -0.126 0.000 1.623 254 M HN 0.550 nan 8.290 nan 0.000 0.434 255 T N 2.939 117.477 114.554 -0.026 0.000 3.253 255 T HA 0.533 4.879 4.350 -0.005 0.000 0.391 255 T C 0.623 175.330 174.700 0.011 0.000 1.527 255 T CA 0.314 62.422 62.100 0.013 0.000 1.268 255 T CB 0.597 69.479 68.868 0.024 0.000 1.126 255 T HN 1.086 nan 8.240 nan 0.000 0.620 256 G N 3.783 112.596 108.800 0.022 0.000 2.552 256 G HA2 -0.284 3.673 3.960 -0.005 0.000 0.267 256 G HA3 -0.284 3.673 3.960 -0.005 0.000 0.267 256 G C 0.738 175.602 174.900 -0.060 0.000 1.174 256 G CA -0.086 45.025 45.100 0.018 0.000 0.955 256 G HN 0.499 nan 8.290 nan 0.000 0.546 257 N N 0.422 119.030 118.700 -0.152 0.000 2.299 257 N HA 0.176 4.912 4.740 -0.005 0.000 0.187 257 N C 0.782 176.021 175.510 -0.451 0.000 1.099 257 N CA 0.723 53.562 53.050 -0.352 0.000 0.867 257 N CB 0.688 38.820 38.487 -0.591 0.000 0.974 257 N HN 0.397 nan 8.380 nan 0.000 0.477 258 V N 2.740 122.479 119.914 -0.291 0.000 2.479 258 V HA 0.069 4.186 4.120 -0.005 0.000 0.281 258 V C 0.424 176.327 176.094 -0.319 0.000 1.031 258 V CA -0.131 62.018 62.300 -0.250 0.000 1.038 258 V CB 0.724 32.512 31.823 -0.058 0.000 0.981 258 V HN 0.144 nan 8.190 nan 0.000 0.478 259 M N 5.350 124.613 119.600 -0.562 0.000 2.478 259 M HA 0.560 5.037 4.480 -0.005 0.000 0.327 259 M C -0.592 175.406 176.300 -0.503 0.000 1.187 259 M CA 0.260 55.168 55.300 -0.653 0.000 1.022 259 M CB 1.635 33.526 32.600 -1.183 0.000 1.629 259 M HN 0.640 nan 8.290 nan 0.000 0.461 260 E N 3.138 123.207 120.200 -0.219 0.000 2.265 260 E HA 0.428 4.775 4.350 -0.005 0.000 0.262 260 E C -2.320 174.388 176.600 0.179 0.000 0.889 260 E CA -0.258 56.118 56.400 -0.040 0.000 0.789 260 E CB 1.786 31.476 29.700 -0.017 0.000 1.221 260 E HN 0.790 nan 8.360 nan 0.000 0.414 261 W N 2.226 123.517 121.300 -0.014 0.000 3.800 261 W HA 0.168 4.825 4.660 -0.005 0.000 0.299 261 W C -0.382 176.223 176.519 0.144 0.000 1.231 261 W CA -0.280 57.113 57.345 0.081 0.000 1.232 261 W CB 1.369 30.884 29.460 0.093 0.000 1.291 261 W HN 0.449 nan 8.180 nan 0.000 0.514 262 S N 4.832 120.112 115.700 -0.702 0.000 3.549 262 S HA -0.309 4.158 4.470 -0.005 0.000 0.366 262 S C 0.734 175.041 174.600 -0.488 0.000 1.012 262 S CA 1.857 59.605 58.200 -0.754 0.000 1.141 262 S CB -1.279 61.115 63.200 -1.344 0.000 0.910 262 S HN 0.854 nan 8.310 nan 0.000 0.471 263 N N -3.004 115.441 118.700 -0.426 0.000 2.967 263 N HA -0.166 4.571 4.740 -0.005 0.000 0.212 263 N C -0.148 175.032 175.510 -0.550 0.000 0.884 263 N CA 1.597 54.254 53.050 -0.655 0.000 1.030 263 N CB -1.336 36.383 38.487 -1.280 0.000 1.018 263 N HN 0.529 nan 8.380 nan 0.000 0.596 264 F N 1.566 121.437 119.950 -0.132 0.000 2.382 264 F HA 0.461 4.984 4.527 -0.005 0.000 0.331 264 F C 0.987 176.838 175.800 0.085 0.000 1.121 264 F CA 0.312 58.395 58.000 0.137 0.000 1.183 264 F CB 0.881 40.120 39.000 0.398 0.000 1.207 264 F HN -0.185 nan 8.300 nan 0.000 0.555 265 K N 4.084 124.723 120.400 0.399 0.000 2.535 265 K HA 0.516 4.833 4.320 -0.005 0.000 0.251 265 K C -1.881 174.895 176.600 0.294 0.000 0.942 265 K CA -0.431 55.948 56.287 0.153 0.000 0.798 265 K CB 1.753 34.308 32.500 0.092 0.000 1.267 265 K HN 0.565 nan 8.250 nan 0.000 0.434 266 F N -0.329 119.619 119.950 -0.002 0.000 2.773 266 F HA 0.426 4.950 4.527 -0.006 0.000 0.314 266 F C -1.481 174.304 175.800 -0.026 0.000 1.160 266 F CA -1.190 56.810 58.000 0.000 0.000 0.920 266 F CB 0.927 39.889 39.000 -0.064 0.000 1.323 266 F HN 0.422 nan 8.300 nan 0.000 0.457 267 H N 2.114 121.254 119.070 0.117 0.000 2.459 267 H HA 0.574 5.127 4.556 -0.006 0.000 0.332 267 H C -1.311 174.030 175.328 0.021 0.000 1.094 267 H CA -0.711 55.287 56.048 -0.084 0.000 1.224 267 H CB 1.645 31.267 29.762 -0.234 0.000 1.449 267 H HN 0.736 nan 8.280 nan 0.000 0.484 268 I N 5.250 125.586 120.570 -0.391 0.000 2.306 268 I HA 0.252 4.418 4.170 -0.005 0.000 0.288 268 I C 0.958 176.961 176.117 -0.190 0.000 1.036 268 I CA -0.362 60.847 61.300 -0.150 0.000 1.221 268 I CB 1.168 39.087 38.000 -0.135 0.000 1.385 268 I HN 0.560 nan 8.210 nan 0.000 0.472 269 G N 5.182 114.043 108.800 0.102 0.000 2.613 269 G HA2 0.737 4.693 3.960 -0.005 0.000 0.303 269 G HA3 0.737 4.693 3.960 -0.005 0.000 0.303 269 G C -1.511 173.529 174.900 0.232 0.000 1.312 269 G CA -0.349 44.881 45.100 0.218 0.000 1.036 269 G HN 0.395 nan 8.290 nan 0.000 0.513 270 F N 0.406 120.389 119.950 0.056 0.000 2.680 270 F HA 0.426 4.949 4.527 -0.006 0.000 0.315 270 F C -1.376 174.493 175.800 0.115 0.000 1.099 270 F CA -0.915 57.121 58.000 0.059 0.000 1.033 270 F CB 1.883 40.914 39.000 0.052 0.000 1.285 270 F HN 0.836 nan 8.300 nan 0.000 0.457 271 N N 2.494 121.088 118.700 -0.177 0.000 2.610 271 N HA 0.236 4.973 4.740 -0.005 0.000 0.264 271 N C 0.218 175.641 175.510 -0.144 0.000 1.348 271 N CA -0.416 52.675 53.050 0.069 0.000 0.819 271 N CB 0.448 38.964 38.487 0.048 0.000 1.521 271 N HN 0.563 nan 8.380 nan 0.000 0.497 272 Y N -0.408 119.818 120.300 -0.124 0.000 2.181 272 Y HA -0.123 4.424 4.550 -0.005 0.000 0.284 272 Y C 2.134 177.602 175.900 -0.721 0.000 1.179 272 Y CA 1.663 59.307 58.100 -0.760 0.000 1.179 272 Y CB -0.403 37.305 38.460 -1.253 0.000 0.973 272 Y HN 0.627 nan 8.280 nan 0.000 0.519 273 R N 0.243 119.849 120.500 -1.490 0.000 2.041 273 R HA 0.010 4.347 4.340 -0.005 0.000 0.221 273 R C 2.235 178.140 176.300 -0.658 0.000 1.196 273 R CA 1.304 56.714 56.100 -1.150 0.000 0.969 273 R CB -0.107 29.347 30.300 -1.411 0.000 0.858 273 R HN 0.466 nan 8.270 nan 0.000 0.444 274 E N -0.484 119.409 120.200 -0.512 0.000 2.216 274 E HA 0.096 4.442 4.350 -0.005 0.000 0.192 274 E C 0.872 177.256 176.600 -0.359 0.000 0.988 274 E CA 0.470 56.684 56.400 -0.309 0.000 0.834 274 E CB 0.301 29.894 29.700 -0.178 0.000 0.772 274 E HN 0.563 nan 8.360 nan 0.000 0.479 275 G N 1.500 109.917 108.800 -0.638 0.000 2.520 275 G HA2 -0.314 3.643 3.960 -0.005 0.000 0.248 275 G HA3 -0.314 3.643 3.960 -0.005 0.000 0.248 275 G C -0.027 174.339 174.900 -0.890 0.000 1.161 275 G CA -0.288 44.223 45.100 -0.982 0.000 0.946 275 G HN 0.163 nan 8.290 nan 0.000 0.565 276 I N 1.049 121.448 120.570 -0.286 0.000 2.710 276 I HA 0.352 4.518 4.170 -0.005 0.000 0.286 276 I C 0.322 176.291 176.117 -0.248 0.000 1.181 276 I CA 0.064 61.328 61.300 -0.060 0.000 1.430 276 I CB 0.835 38.894 38.000 0.100 0.000 1.367 276 I HN 0.349 nan 8.210 nan 0.000 0.577 277 V N 7.701 127.482 119.914 -0.221 0.000 2.482 277 V HA 0.364 4.481 4.120 -0.005 0.000 0.295 277 V C -0.138 175.808 176.094 -0.248 0.000 1.026 277 V CA -0.547 61.587 62.300 -0.276 0.000 0.856 277 V CB 1.604 33.325 31.823 -0.169 0.000 1.001 277 V HN 0.448 nan 8.190 nan 0.000 0.424 278 L N 3.975 124.957 121.223 -0.402 0.000 2.289 278 L HA 0.764 5.101 4.340 -0.005 0.000 0.285 278 L C 0.201 176.957 176.870 -0.190 0.000 1.049 278 L CA 0.085 54.765 54.840 -0.266 0.000 0.804 278 L CB 1.695 43.482 42.059 -0.454 0.000 1.195 278 L HN 0.641 nan 8.230 nan 0.000 0.428 279 S N 0.307 115.976 115.700 -0.051 0.000 2.627 279 S HA 0.311 4.777 4.470 -0.005 0.000 0.283 279 S C -0.690 173.908 174.600 -0.002 0.000 1.127 279 S CA -0.654 57.457 58.200 -0.149 0.000 0.863 279 S CB 1.782 64.796 63.200 -0.311 0.000 1.121 279 S HN 0.737 nan 8.310 nan 0.000 0.479 280 D N 1.023 121.380 120.400 -0.072 0.000 2.735 280 D HA -0.137 4.500 4.640 -0.005 0.000 0.235 280 D C -0.619 175.817 176.300 0.227 0.000 1.175 280 D CA 0.405 54.493 54.000 0.146 0.000 0.683 280 D CB -1.123 39.845 40.800 0.280 0.000 1.008 280 D HN 0.284 nan 8.370 nan 0.000 0.416 281 V N 0.873 120.906 119.914 0.200 0.000 2.498 281 V HA 0.637 4.753 4.120 -0.005 0.000 0.279 281 V C 0.898 177.128 176.094 0.226 0.000 1.048 281 V CA 0.340 62.795 62.300 0.258 0.000 0.967 281 V CB 1.634 33.580 31.823 0.205 0.000 0.988 281 V HN 0.508 nan 8.190 nan 0.000 0.473 282 S N 4.117 120.006 115.700 0.315 0.000 2.638 282 S HA 0.735 5.202 4.470 -0.005 0.000 0.274 282 S C -1.543 173.260 174.600 0.337 0.000 1.157 282 S CA -0.761 57.598 58.200 0.264 0.000 0.826 282 S CB 1.959 65.279 63.200 0.201 0.000 1.139 282 S HN 0.631 nan 8.310 nan 0.000 0.474 283 Y N 1.753 122.132 120.300 0.131 0.000 2.373 283 Y HA 0.527 5.074 4.550 -0.005 0.000 0.336 283 Y C -0.503 175.437 175.900 0.068 0.000 0.979 283 Y CA -0.752 57.373 58.100 0.042 0.000 1.080 283 Y CB 1.672 40.142 38.460 0.017 0.000 1.190 283 Y HN 0.865 nan 8.280 nan 0.000 0.446 284 N N 4.844 123.337 118.700 -0.345 0.000 2.508 284 N HA -0.001 4.735 4.740 -0.005 0.000 0.253 284 N C -1.062 174.406 175.510 -0.070 0.000 1.145 284 N CA 0.154 53.106 53.050 -0.164 0.000 0.973 284 N CB 0.119 38.466 38.487 -0.233 0.000 1.305 284 N HN 0.666 nan 8.380 nan 0.000 0.506 285 D N 2.406 122.958 120.400 0.254 0.000 2.508 285 D HA 0.033 4.669 4.640 -0.005 0.000 0.224 285 D C -0.289 176.122 176.300 0.186 0.000 1.171 285 D CA 0.004 54.214 54.000 0.350 0.000 1.006 285 D CB -0.764 40.296 40.800 0.433 0.000 1.073 285 D HN 0.536 nan 8.370 nan 0.000 0.513 286 H N 1.608 120.738 119.070 0.101 0.000 2.527 286 H HA -0.217 4.336 4.556 -0.005 0.000 0.321 286 H C 1.482 176.826 175.328 0.027 0.000 1.092 286 H CA 1.044 57.115 56.048 0.040 0.000 1.118 286 H CB -0.890 28.896 29.762 0.039 0.000 1.536 286 H HN 0.688 nan 8.280 nan 0.000 0.407 287 G N -0.244 108.602 108.800 0.078 0.000 2.313 287 G HA2 -0.314 3.643 3.960 -0.005 0.000 0.215 287 G HA3 -0.314 3.643 3.960 -0.005 0.000 0.215 287 G C 0.222 175.152 174.900 0.049 0.000 1.023 287 G CA -0.018 45.114 45.100 0.054 0.000 0.626 287 G HN 0.711 nan 8.290 nan 0.000 0.503 288 N N 0.875 119.621 118.700 0.077 0.000 2.437 288 N HA 0.434 5.171 4.740 -0.005 0.000 0.243 288 N C -0.065 175.499 175.510 0.090 0.000 1.041 288 N CA -0.306 52.785 53.050 0.068 0.000 0.940 288 N CB 0.911 39.439 38.487 0.068 0.000 1.133 288 N HN 0.072 nan 8.380 nan 0.000 0.506 289 V N 4.778 124.731 119.914 0.065 0.000 2.405 289 V HA 0.216 4.333 4.120 -0.005 0.000 0.264 289 V C 0.363 176.522 176.094 0.107 0.000 1.048 289 V CA -0.146 62.203 62.300 0.082 0.000 0.966 289 V CB 0.074 31.926 31.823 0.049 0.000 1.015 289 V HN 0.609 nan 8.190 nan 0.000 0.477 290 R N 5.810 126.416 120.500 0.177 0.000 2.387 290 R HA 0.475 4.812 4.340 -0.005 0.000 0.314 290 R C -2.751 173.684 176.300 0.225 0.000 0.958 290 R CA -1.855 54.357 56.100 0.186 0.000 0.846 290 R CB 1.671 32.096 30.300 0.207 0.000 1.147 290 R HN 0.403 nan 8.270 nan 0.000 0.447 291 P HA 0.112 nan 4.420 nan 0.000 0.272 291 P C -0.081 177.263 177.300 0.072 0.000 1.230 291 P CA 0.048 63.222 63.100 0.123 0.000 0.788 291 P CB 0.875 32.636 31.700 0.102 0.000 0.949 292 I N -1.027 119.477 120.570 -0.110 0.000 3.814 292 I HA 0.212 4.379 4.170 -0.005 0.000 0.264 292 I C -0.178 175.562 176.117 -0.629 0.000 1.145 292 I CA 0.430 61.397 61.300 -0.554 0.000 1.375 292 I CB 0.316 37.739 38.000 -0.961 0.000 1.638 292 I HN 0.118 nan 8.210 nan 0.000 0.432 293 F N -0.004 119.900 119.950 -0.077 0.000 2.565 293 F HA 0.369 4.893 4.527 -0.005 0.000 0.313 293 F C 0.949 176.748 175.800 -0.001 0.000 1.091 293 F CA -0.997 56.958 58.000 -0.076 0.000 0.915 293 F CB 0.865 39.773 39.000 -0.154 0.000 1.208 293 F HN -0.053 nan 8.300 nan 0.000 0.453 294 H N 1.492 120.628 119.070 0.110 0.000 2.465 294 H HA 0.298 4.851 4.556 -0.006 0.000 0.289 294 H C 0.088 175.388 175.328 -0.046 0.000 1.022 294 H CA 0.815 56.870 56.048 0.011 0.000 1.340 294 H CB 0.602 30.326 29.762 -0.062 0.000 1.437 294 H HN 0.567 nan 8.280 nan 0.000 0.539 295 R N 0.538 120.961 120.500 -0.128 0.000 2.594 295 R HA 0.398 4.734 4.340 -0.005 0.000 0.265 295 R C -2.149 173.997 176.300 -0.257 0.000 1.070 295 R CA -0.535 55.415 56.100 -0.249 0.000 0.909 295 R CB 1.976 32.120 30.300 -0.260 0.000 1.243 295 R HN 0.241 nan 8.270 nan 0.000 0.455 296 I N 2.551 122.921 120.570 -0.332 0.000 2.692 296 I HA 0.568 4.735 4.170 -0.005 0.000 0.293 296 I C -1.517 174.327 176.117 -0.455 0.000 1.200 296 I CA -0.091 60.967 61.300 -0.404 0.000 1.036 296 I CB 2.165 39.867 38.000 -0.496 0.000 1.258 296 I HN 0.970 nan 8.210 nan 0.000 0.421 297 S N 6.090 121.631 115.700 -0.265 0.000 2.660 297 S HA 0.498 4.965 4.470 -0.005 0.000 0.264 297 S C -1.820 172.862 174.600 0.136 0.000 1.131 297 S CA -1.050 57.072 58.200 -0.131 0.000 0.846 297 S CB 0.980 64.064 63.200 -0.193 0.000 1.151 297 S HN 0.594 nan 8.310 nan 0.000 0.486 298 L N 2.634 123.984 121.223 0.211 0.000 2.265 298 L HA 0.494 4.831 4.340 -0.005 0.000 0.289 298 L C 1.183 178.087 176.870 0.055 0.000 1.033 298 L CA -0.223 54.721 54.840 0.173 0.000 0.814 298 L CB 1.770 43.969 42.059 0.233 0.000 1.203 298 L HN 1.001 nan 8.230 nan 0.000 0.423 299 S N 0.851 116.561 115.700 0.017 0.000 2.517 299 S HA 0.198 4.665 4.470 -0.005 0.000 0.214 299 S C 0.318 174.919 174.600 0.001 0.000 0.991 299 S CA -0.134 58.103 58.200 0.062 0.000 0.906 299 S CB 0.401 63.673 63.200 0.120 0.000 0.789 299 S HN 0.674 nan 8.310 nan 0.000 0.513 300 E N -0.728 119.366 120.200 -0.176 0.000 2.421 300 E HA 0.644 4.991 4.350 -0.005 0.000 0.278 300 E C -1.789 174.644 176.600 -0.277 0.000 1.141 300 E CA -0.497 55.751 56.400 -0.253 0.000 0.880 300 E CB 0.761 30.219 29.700 -0.402 0.000 1.381 300 E HN 0.306 nan 8.360 nan 0.000 0.436 301 M N 1.002 120.560 119.600 -0.071 0.000 2.773 301 M HA 0.646 5.122 4.480 -0.005 0.000 0.270 301 M C -1.457 174.989 176.300 0.243 0.000 1.238 301 M CA -0.906 54.398 55.300 0.008 0.000 0.832 301 M CB 2.496 34.952 32.600 -0.240 0.000 1.672 301 M HN 0.539 nan 8.290 nan 0.000 0.480 302 I N 0.685 121.334 120.570 0.131 0.000 2.715 302 I HA 0.417 4.583 4.170 -0.005 0.000 0.288 302 I C -1.760 174.348 176.117 -0.016 0.000 1.371 302 I CA -0.464 60.885 61.300 0.082 0.000 1.056 302 I CB 1.829 39.844 38.000 0.026 0.000 1.339 302 I HN 0.433 nan 8.210 nan 0.000 0.425 303 V N 9.351 129.291 119.914 0.043 0.000 2.233 303 V HA 0.358 4.475 4.120 -0.005 0.000 0.261 303 V C -2.191 173.958 176.094 0.093 0.000 1.076 303 V CA -1.297 61.008 62.300 0.008 0.000 1.001 303 V CB 0.568 32.446 31.823 0.091 0.000 1.206 303 V HN 0.524 nan 8.190 nan 0.000 0.468 304 P HA 0.155 nan 4.420 nan 0.000 0.271 304 P C -0.867 176.415 177.300 -0.030 0.000 1.233 304 P CA 0.073 63.212 63.100 0.066 0.000 0.764 304 P CB 0.632 32.301 31.700 -0.051 0.000 0.825 305 Y N 1.368 121.718 120.300 0.083 0.000 2.316 305 Y HA 0.438 4.984 4.550 -0.005 0.000 0.324 305 Y C 1.942 177.838 175.900 -0.007 0.000 1.267 305 Y CA 0.414 58.562 58.100 0.080 0.000 1.311 305 Y CB 0.877 39.398 38.460 0.102 0.000 1.267 305 Y HN 0.463 nan 8.280 nan 0.000 0.516 306 G N 0.232 109.073 108.800 0.070 0.000 3.605 306 G HA2 0.072 4.028 3.960 -0.005 0.000 0.277 306 G HA3 0.072 4.028 3.960 -0.005 0.000 0.277 306 G C -0.200 174.617 174.900 -0.138 0.000 1.093 306 G CA -0.153 44.941 45.100 -0.010 0.000 0.821 306 G HN 0.429 nan 8.290 nan 0.000 0.532 307 S N 1.209 116.763 115.700 -0.243 0.000 2.457 307 S HA 0.489 4.956 4.470 -0.005 0.000 0.289 307 S C -1.020 173.296 174.600 -0.473 0.000 1.163 307 S CA -1.432 56.467 58.200 -0.502 0.000 1.078 307 S CB 1.881 64.621 63.200 -0.767 0.000 0.987 307 S HN 0.084 nan 8.310 nan 0.000 0.482 308 P HA 0.092 nan 4.420 nan 0.000 0.245 308 P C -0.378 176.796 177.300 -0.210 0.000 1.206 308 P CA 0.161 63.005 63.100 -0.428 0.000 0.781 308 P CB 0.089 31.463 31.700 -0.543 0.000 0.994 309 E N 0.256 120.366 120.200 -0.149 0.000 2.360 309 E HA 0.112 4.459 4.350 -0.005 0.000 0.269 309 E C -0.382 176.180 176.600 -0.063 0.000 1.022 309 E CA -0.736 55.660 56.400 -0.006 0.000 0.887 309 E CB 0.429 30.189 29.700 0.100 0.000 0.990 309 E HN 0.055 nan 8.360 nan 0.000 0.426 310 F N 5.006 124.847 119.950 -0.182 0.000 2.572 310 F HA 0.063 4.586 4.527 -0.005 0.000 0.370 310 F C -1.428 174.095 175.800 -0.463 0.000 1.103 310 F CA -1.598 56.256 58.000 -0.244 0.000 1.286 310 F CB 0.808 39.723 39.000 -0.141 0.000 1.105 310 F HN 0.305 nan 8.300 nan 0.000 0.583 311 P HA 0.150 nan 4.420 nan 0.000 0.257 311 P C -0.139 176.692 177.300 -0.783 0.000 1.737 311 P CA 0.264 62.575 63.100 -1.315 0.000 1.130 311 P CB -0.385 30.646 31.700 -1.115 0.000 1.572 312 H N 0.138 118.969 119.070 -0.398 0.000 2.561 312 H HA -0.080 4.473 4.556 -0.005 0.000 0.278 312 H C 1.536 176.757 175.328 -0.179 0.000 1.014 312 H CA 0.750 56.620 56.048 -0.297 0.000 1.211 312 H CB -0.213 29.383 29.762 -0.277 0.000 1.365 312 H HN 0.270 nan 8.280 nan 0.000 0.594 313 Q N 0.570 120.310 119.800 -0.100 0.000 2.291 313 Q HA -0.027 4.310 4.340 -0.005 0.000 0.205 313 Q C 1.497 177.598 176.000 0.169 0.000 0.970 313 Q CA 0.776 56.584 55.803 0.007 0.000 0.876 313 Q CB 0.046 28.766 28.738 -0.029 0.000 0.935 313 Q HN 0.363 nan 8.270 nan 0.000 0.455 314 R N 0.873 121.381 120.500 0.014 0.000 2.323 314 R HA 0.093 4.430 4.340 -0.005 0.000 0.198 314 R C -0.027 176.255 176.300 -0.031 0.000 0.988 314 R CA 0.257 56.362 56.100 0.009 0.000 1.041 314 R CB 0.201 30.425 30.300 -0.128 0.000 0.926 314 R HN 0.128 nan 8.270 nan 0.000 0.476 315 K N 1.929 122.370 120.400 0.069 0.000 2.231 315 K HA 0.076 4.392 4.320 -0.005 0.000 0.255 315 K C -0.408 176.450 176.600 0.430 0.000 1.108 315 K CA -0.038 56.318 56.287 0.116 0.000 0.997 315 K CB 0.395 32.776 32.500 -0.199 0.000 1.549 315 K HN 0.320 nan 8.250 nan 0.000 0.419 316 H N -0.033 119.239 119.070 0.338 0.000 3.225 316 H HA 0.181 4.733 4.556 -0.005 0.000 0.205 316 H C -0.730 174.717 175.328 0.198 0.000 1.314 316 H CA -0.692 55.506 56.048 0.250 0.000 1.336 316 H CB -0.591 29.240 29.762 0.115 0.000 2.276 316 H HN 0.323 nan 8.280 nan 0.000 0.535 317 A N 1.884 124.835 122.820 0.219 0.000 2.546 317 A HA 0.275 4.592 4.320 -0.005 0.000 0.243 317 A C 0.238 177.856 177.584 0.056 0.000 1.063 317 A CA -0.120 51.964 52.037 0.079 0.000 0.757 317 A CB 0.106 19.124 19.000 0.031 0.000 0.991 317 A HN 0.498 nan 8.150 nan 0.000 0.503 318 L N 3.497 124.710 121.223 -0.016 0.000 2.589 318 L HA 0.195 4.532 4.340 -0.005 0.000 0.244 318 L C 0.812 177.620 176.870 -0.104 0.000 1.159 318 L CA -0.032 54.813 54.840 0.008 0.000 1.074 318 L CB 0.525 42.623 42.059 0.065 0.000 1.391 318 L HN 0.800 nan 8.230 nan 0.000 0.423 319 D N 1.013 121.373 120.400 -0.066 0.000 2.149 319 D HA -0.263 4.374 4.640 -0.005 0.000 0.194 319 D C 2.002 178.212 176.300 -0.151 0.000 1.001 319 D CA 1.736 55.718 54.000 -0.030 0.000 0.849 319 D CB 0.333 41.155 40.800 0.037 0.000 0.939 319 D HN 0.493 nan 8.370 nan 0.000 0.449 320 I N 1.049 121.500 120.570 -0.198 0.000 2.142 320 I HA -0.173 3.994 4.170 -0.005 0.000 0.240 320 I C 2.636 178.572 176.117 -0.302 0.000 1.078 320 I CA 1.544 62.678 61.300 -0.277 0.000 1.343 320 I CB -0.351 37.512 38.000 -0.228 0.000 1.046 320 I HN 0.011 nan 8.210 nan 0.000 0.405 321 G N -0.515 108.136 108.800 -0.248 0.000 2.712 321 G HA2 -0.076 3.880 3.960 -0.005 0.000 0.212 321 G HA3 -0.076 3.880 3.960 -0.005 0.000 0.212 321 G C 1.378 176.153 174.900 -0.208 0.000 1.142 321 G CA 0.156 45.100 45.100 -0.259 0.000 0.789 321 G HN 0.407 nan 8.290 nan 0.000 0.535 322 E N -1.390 118.635 120.200 -0.291 0.000 2.447 322 E HA 0.147 4.494 4.350 -0.005 0.000 0.204 322 E C 0.688 176.981 176.600 -0.511 0.000 0.977 322 E CA 0.227 56.350 56.400 -0.461 0.000 0.950 322 E CB 0.427 29.690 29.700 -0.728 0.000 0.975 322 E HN 0.555 nan 8.360 nan 0.000 0.496 323 Y N -0.405 119.862 120.300 -0.055 0.000 2.619 323 Y HA 0.332 4.879 4.550 -0.006 0.000 0.273 323 Y C 0.747 176.634 175.900 -0.022 0.000 1.175 323 Y CA 0.202 58.292 58.100 -0.017 0.000 1.157 323 Y CB 1.073 39.493 38.460 -0.066 0.000 1.329 323 Y HN -0.033 nan 8.280 nan 0.000 0.503 324 G N 0.824 109.584 108.800 -0.066 0.000 3.421 324 G HA2 0.174 4.131 3.960 -0.005 0.000 0.686 324 G HA3 0.174 4.131 3.960 -0.005 0.000 0.686 324 G C 0.592 175.243 174.900 -0.415 0.000 1.056 324 G CA -0.256 44.666 45.100 -0.295 0.000 0.891 324 G HN 0.646 nan 8.290 nan 0.000 0.514 325 A N 1.238 123.702 122.820 -0.593 0.000 2.121 325 A HA 0.356 4.673 4.320 -0.005 0.000 0.218 325 A C 2.526 179.912 177.584 -0.330 0.000 1.154 325 A CA 2.424 53.993 52.037 -0.781 0.000 0.679 325 A CB -0.292 18.362 19.000 -0.577 0.000 0.795 325 A HN 2.126 nan 8.150 nan 0.000 0.458 326 G N -1.669 106.953 108.800 -0.296 0.000 2.417 326 G HA2 -0.046 3.911 3.960 -0.005 0.000 0.212 326 G HA3 -0.046 3.911 3.960 -0.005 0.000 0.212 326 G C 1.373 176.417 174.900 0.240 0.000 1.187 326 G CA 0.710 45.857 45.100 0.077 0.000 0.804 326 G HN 0.388 nan 8.290 nan 0.000 0.534 327 Y N 0.891 121.060 120.300 -0.218 0.000 2.241 327 Y HA 0.005 4.552 4.550 -0.005 0.000 0.286 327 Y C 2.776 178.697 175.900 0.035 0.000 1.166 327 Y CA 0.633 58.599 58.100 -0.223 0.000 1.203 327 Y CB -0.306 38.033 38.460 -0.203 0.000 0.977 327 Y HN 0.163 nan 8.280 nan 0.000 0.529 328 M N -1.387 118.320 119.600 0.179 0.000 2.495 328 M HA 0.039 4.515 4.480 -0.005 0.000 0.237 328 M C 0.815 177.300 176.300 0.308 0.000 1.131 328 M CA 0.139 55.553 55.300 0.190 0.000 1.032 328 M CB 0.021 32.690 32.600 0.116 0.000 1.513 328 M HN -0.166 nan 8.290 nan 0.000 0.488 329 T N 2.159 116.930 114.554 0.362 0.000 2.930 329 T HA 0.088 4.434 4.350 -0.005 0.000 0.306 329 T C 0.143 175.017 174.700 0.290 0.000 1.045 329 T CA -0.008 62.335 62.100 0.404 0.000 1.134 329 T CB 0.294 69.462 68.868 0.500 0.000 0.961 329 T HN 0.204 nan 8.240 nan 0.000 0.545 330 N N 4.902 123.744 118.700 0.237 0.000 2.499 330 N HA 0.356 5.092 4.740 -0.005 0.000 0.281 330 N C -2.654 172.924 175.510 0.113 0.000 1.098 330 N CA -1.822 51.321 53.050 0.155 0.000 0.979 330 N CB 1.106 39.667 38.487 0.123 0.000 1.121 330 N HN 0.361 nan 8.380 nan 0.000 0.466 331 P HA 0.108 nan 4.420 nan 0.000 0.271 331 P C 0.564 177.877 177.300 0.022 0.000 1.226 331 P CA -0.400 62.712 63.100 0.020 0.000 0.765 331 P CB 0.699 32.395 31.700 -0.008 0.000 0.835 332 L N 2.353 123.600 121.223 0.040 0.000 2.156 332 L HA -0.081 4.256 4.340 -0.005 0.000 0.208 332 L C 2.341 179.245 176.870 0.056 0.000 1.095 332 L CA 1.493 56.392 54.840 0.099 0.000 0.770 332 L CB -1.902 40.307 42.059 0.250 0.000 0.914 332 L HN 0.359 nan 8.230 nan 0.000 0.439 333 S N -0.117 115.498 115.700 -0.141 0.000 2.414 333 S HA -0.255 4.212 4.470 -0.005 0.000 0.225 333 S C 2.091 176.662 174.600 -0.049 0.000 1.041 333 S CA 1.728 59.811 58.200 -0.195 0.000 1.114 333 S CB -0.464 62.507 63.200 -0.382 0.000 1.064 333 S HN 0.345 nan 8.310 nan 0.000 0.420 334 L N 0.604 121.795 121.223 -0.053 0.000 2.030 334 L HA -0.215 4.122 4.340 -0.005 0.000 0.222 334 L C 2.518 179.395 176.870 0.012 0.000 1.082 334 L CA 2.013 56.844 54.840 -0.016 0.000 0.785 334 L CB -1.250 40.803 42.059 -0.010 0.000 0.895 334 L HN 0.617 nan 8.230 nan 0.000 0.439 335 G N -2.429 106.386 108.800 0.024 0.000 2.559 335 G HA2 -0.197 3.760 3.960 -0.005 0.000 0.216 335 G HA3 -0.197 3.760 3.960 -0.005 0.000 0.216 335 G C 0.936 175.856 174.900 0.032 0.000 1.126 335 G CA 0.553 45.672 45.100 0.032 0.000 0.778 335 G HN 0.691 nan 8.290 nan 0.000 0.543 336 C N -0.275 119.048 119.300 0.039 0.000 4.549 336 C HA -0.157 4.300 4.460 -0.005 0.000 0.290 336 C C 1.467 176.481 174.990 0.041 0.000 1.328 336 C CA 0.054 59.095 59.018 0.038 0.000 2.002 336 C CB -2.418 25.337 27.740 0.026 0.000 1.238 336 C HN 0.639 nan 8.230 nan 0.000 0.780 337 D N 0.159 120.594 120.400 0.059 0.000 2.097 337 D HA -0.008 4.628 4.640 -0.005 0.000 0.197 337 D C 0.869 177.207 176.300 0.063 0.000 0.984 337 D CA 1.602 55.643 54.000 0.069 0.000 0.826 337 D CB 0.026 40.878 40.800 0.086 0.000 0.973 337 D HN 0.702 nan 8.370 nan 0.000 0.460 338 C N 1.502 120.821 119.300 0.032 0.000 2.264 338 C HA 0.485 4.942 4.460 -0.005 0.000 0.324 338 C C 0.153 175.053 174.990 -0.150 0.000 1.267 338 C CA -1.662 57.288 59.018 -0.115 0.000 1.618 338 C CB -0.007 27.590 27.740 -0.238 0.000 2.278 338 C HN 0.098 nan 8.230 nan 0.000 0.499 339 K N 2.533 122.844 120.400 -0.147 0.000 2.201 339 K HA 0.610 4.927 4.320 -0.005 0.000 0.278 339 K C 0.663 177.206 176.600 -0.094 0.000 1.027 339 K CA 0.895 57.137 56.287 -0.075 0.000 0.909 339 K CB 0.556 33.050 32.500 -0.009 0.000 1.062 339 K HN 1.187 nan 8.250 nan 0.000 0.465 340 G N 0.997 109.775 108.800 -0.037 0.000 2.396 340 G HA2 -0.191 3.766 3.960 -0.005 0.000 0.254 340 G HA3 -0.191 3.766 3.960 -0.005 0.000 0.254 340 G C -1.153 173.753 174.900 0.010 0.000 1.248 340 G CA -0.575 44.529 45.100 0.007 0.000 1.033 340 G HN 0.453 nan 8.290 nan 0.000 0.502 341 V N 2.276 122.226 119.914 0.060 0.000 2.341 341 V HA 0.301 4.418 4.120 -0.005 0.000 0.248 341 V C 0.761 176.916 176.094 0.101 0.000 1.107 341 V CA -0.206 62.139 62.300 0.076 0.000 1.069 341 V CB -0.212 31.663 31.823 0.088 0.000 1.177 341 V HN 0.524 nan 8.190 nan 0.000 0.492 342 I N 3.863 124.439 120.570 0.010 0.000 2.577 342 I HA 0.421 4.587 4.170 -0.005 0.000 0.300 342 I C 0.128 176.208 176.117 -0.061 0.000 0.990 342 I CA -0.280 60.945 61.300 -0.125 0.000 1.283 342 I CB 1.179 38.908 38.000 -0.452 0.000 1.411 342 I HN 0.507 nan 8.210 nan 0.000 0.515 343 H N 5.648 124.600 119.070 -0.197 0.000 2.727 343 H HA 0.408 4.961 4.556 -0.005 0.000 0.330 343 H C -1.550 173.642 175.328 -0.228 0.000 0.986 343 H CA -0.393 55.622 56.048 -0.056 0.000 1.251 343 H CB 0.810 30.677 29.762 0.175 0.000 1.493 343 H HN 0.366 nan 8.280 nan 0.000 0.515 344 Y N 3.548 123.925 120.300 0.128 0.000 2.458 344 Y HA 0.468 5.015 4.550 -0.005 0.000 0.322 344 Y C 0.197 176.153 175.900 0.094 0.000 1.259 344 Y CA -0.709 57.446 58.100 0.091 0.000 1.302 344 Y CB 1.579 40.034 38.460 -0.008 0.000 1.314 344 Y HN 0.391 nan 8.280 nan 0.000 0.509 345 L N 1.288 122.624 121.223 0.189 0.000 2.409 345 L HA 0.428 4.765 4.340 -0.005 0.000 0.262 345 L C -1.328 175.479 176.870 -0.105 0.000 0.992 345 L CA -1.002 53.856 54.840 0.030 0.000 0.817 345 L CB 2.264 44.304 42.059 -0.031 0.000 1.350 345 L HN 0.573 nan 8.230 nan 0.000 0.411 346 D N 0.998 121.283 120.400 -0.191 0.000 2.268 346 D HA 0.707 5.344 4.640 -0.005 0.000 0.249 346 D C -0.528 175.402 176.300 -0.617 0.000 1.008 346 D CA -0.146 53.645 54.000 -0.348 0.000 0.939 346 D CB 2.280 42.906 40.800 -0.291 0.000 1.170 346 D HN 0.569 nan 8.370 nan 0.000 0.468 347 A N 1.218 123.586 122.820 -0.752 0.000 2.365 347 A HA 0.609 4.926 4.320 -0.005 0.000 0.318 347 A C -1.072 175.867 177.584 -1.074 0.000 1.091 347 A CA -0.667 50.845 52.037 -0.875 0.000 0.763 347 A CB 1.000 19.515 19.000 -0.807 0.000 1.248 347 A HN 0.550 nan 8.150 nan 0.000 0.442 348 H N 1.495 120.251 119.070 -0.522 0.000 2.589 348 H HA 0.668 5.221 4.556 -0.005 0.000 0.351 348 H C -1.274 173.871 175.328 -0.305 0.000 1.074 348 H CA -0.267 55.539 56.048 -0.404 0.000 1.203 348 H CB 1.264 30.950 29.762 -0.127 0.000 1.558 348 H HN 0.539 nan 8.280 nan 0.000 0.522 349 F N -0.035 120.083 119.950 0.281 0.000 2.835 349 F HA 0.507 5.030 4.527 -0.006 0.000 0.373 349 F C 0.698 176.601 175.800 0.172 0.000 1.209 349 F CA -1.148 57.016 58.000 0.273 0.000 1.082 349 F CB 0.699 39.940 39.000 0.402 0.000 1.472 349 F HN 0.355 nan 8.300 nan 0.000 0.519 350 S N -0.239 115.686 115.700 0.375 0.000 2.542 350 S HA 0.583 5.050 4.470 -0.005 0.000 0.293 350 S C -1.414 173.270 174.600 0.139 0.000 1.089 350 S CA -0.749 57.546 58.200 0.158 0.000 0.961 350 S CB 0.952 64.182 63.200 0.049 0.000 1.062 350 S HN 0.595 nan 8.310 nan 0.000 0.483 351 D N 2.134 122.580 120.400 0.077 0.000 2.466 351 D HA 0.322 4.959 4.640 -0.005 0.000 0.262 351 D C 1.150 177.502 176.300 0.086 0.000 1.177 351 D CA -0.747 53.291 54.000 0.063 0.000 1.035 351 D CB 0.294 41.124 40.800 0.050 0.000 1.105 351 D HN 0.538 nan 8.370 nan 0.000 0.551 352 R N -0.708 119.839 120.500 0.077 0.000 2.139 352 R HA -0.154 4.183 4.340 -0.005 0.000 0.243 352 R C 1.724 178.146 176.300 0.202 0.000 1.145 352 R CA 1.553 57.724 56.100 0.120 0.000 0.976 352 R CB -0.493 29.843 30.300 0.059 0.000 0.866 352 R HN 0.601 nan 8.270 nan 0.000 0.449 353 A N -0.904 121.999 122.820 0.137 0.000 2.208 353 A HA 0.162 4.478 4.320 -0.005 0.000 0.209 353 A C 1.324 178.968 177.584 0.100 0.000 1.161 353 A CA 0.957 53.078 52.037 0.140 0.000 0.782 353 A CB 0.087 19.127 19.000 0.067 0.000 0.816 353 A HN 0.515 nan 8.150 nan 0.000 0.477 354 G N -0.773 107.997 108.800 -0.051 0.000 2.159 354 G HA2 -0.159 3.797 3.960 -0.005 0.000 0.227 354 G HA3 -0.159 3.797 3.960 -0.005 0.000 0.227 354 G C -0.518 174.219 174.900 -0.272 0.000 0.986 354 G CA 0.114 44.909 45.100 -0.508 0.000 0.651 354 G HN 0.465 nan 8.290 nan 0.000 0.523 355 D N 1.390 121.724 120.400 -0.109 0.000 2.193 355 D HA 0.469 5.106 4.640 -0.005 0.000 0.244 355 D C -2.381 173.905 176.300 -0.025 0.000 1.064 355 D CA -1.319 52.644 54.000 -0.062 0.000 0.845 355 D CB 1.648 42.434 40.800 -0.023 0.000 1.148 355 D HN 0.027 nan 8.370 nan 0.000 0.464 356 P HA 0.064 nan 4.420 nan 0.000 0.265 356 P C -0.365 176.965 177.300 0.051 0.000 1.187 356 P CA 0.206 63.315 63.100 0.015 0.000 0.766 356 P CB 0.422 32.102 31.700 -0.033 0.000 0.820 357 I N -1.515 119.121 120.570 0.110 0.000 2.647 357 I HA 0.632 4.799 4.170 -0.005 0.000 0.295 357 I C -0.717 175.459 176.117 0.098 0.000 1.078 357 I CA -0.665 60.705 61.300 0.117 0.000 1.048 357 I CB 2.580 40.682 38.000 0.170 0.000 1.239 357 I HN 0.054 nan 8.210 nan 0.000 0.421 358 T N 4.056 118.655 114.554 0.074 0.000 2.863 358 T HA 0.512 4.858 4.350 -0.005 0.000 0.285 358 T C -0.878 173.792 174.700 -0.050 0.000 1.009 358 T CA -0.591 61.523 62.100 0.023 0.000 0.989 358 T CB 2.375 71.324 68.868 0.136 0.000 1.004 358 T HN 0.605 nan 8.240 nan 0.000 0.455 359 V N 4.274 124.087 119.914 -0.170 0.000 2.409 359 V HA 0.541 4.657 4.120 -0.005 0.000 0.290 359 V C -0.771 175.227 176.094 -0.161 0.000 1.017 359 V CA -0.898 61.346 62.300 -0.093 0.000 0.841 359 V CB 1.055 32.880 31.823 0.004 0.000 1.003 359 V HN 0.633 nan 8.190 nan 0.000 0.426 360 K N 4.476 124.811 120.400 -0.108 0.000 2.326 360 K HA 0.274 4.591 4.320 -0.005 0.000 0.275 360 K C 0.537 177.054 176.600 -0.137 0.000 1.018 360 K CA 0.466 56.676 56.287 -0.128 0.000 0.962 360 K CB 0.015 32.448 32.500 -0.111 0.000 0.953 360 K HN 0.955 nan 8.250 nan 0.000 0.475 361 N N 0.574 119.190 118.700 -0.139 0.000 2.688 361 N HA -0.266 4.471 4.740 -0.005 0.000 0.258 361 N C 0.342 175.851 175.510 -0.001 0.000 1.016 361 N CA 0.365 53.378 53.050 -0.062 0.000 0.747 361 N CB -0.740 37.529 38.487 -0.362 0.000 0.895 361 N HN 0.732 nan 8.380 nan 0.000 0.543 362 A N -0.486 122.269 122.820 -0.107 0.000 1.970 362 A HA 0.190 4.506 4.320 -0.005 0.000 0.216 362 A C 0.874 178.416 177.584 -0.070 0.000 1.170 362 A CA 0.974 52.917 52.037 -0.155 0.000 0.645 362 A CB 0.681 19.380 19.000 -0.502 0.000 0.816 362 A HN 0.203 nan 8.150 nan 0.000 0.447 363 V N -0.331 119.547 119.914 -0.060 0.000 2.555 363 V HA 0.427 4.544 4.120 -0.005 0.000 0.302 363 V C -0.347 175.808 176.094 0.101 0.000 1.038 363 V CA -0.794 61.531 62.300 0.042 0.000 0.887 363 V CB 1.094 32.914 31.823 -0.004 0.000 0.991 363 V HN 0.506 nan 8.190 nan 0.000 0.434 364 C N 6.304 125.644 119.300 0.066 0.000 2.369 364 C HA 0.826 5.282 4.460 -0.005 0.000 0.322 364 C C -0.600 174.368 174.990 -0.037 0.000 1.258 364 C CA -0.579 58.385 59.018 -0.090 0.000 1.487 364 C CB -0.496 27.193 27.740 -0.086 0.000 2.165 364 C HN 0.791 nan 8.230 nan 0.000 0.483 365 I N 7.433 127.935 120.570 -0.113 0.000 2.404 365 I HA 0.645 4.811 4.170 -0.005 0.000 0.293 365 I C -0.026 176.051 176.117 -0.066 0.000 0.992 365 I CA 0.056 61.268 61.300 -0.147 0.000 1.149 365 I CB 1.433 39.225 38.000 -0.347 0.000 1.315 365 I HN 0.943 nan 8.210 nan 0.000 0.446 366 H N 4.187 123.055 119.070 -0.336 0.000 2.969 366 H HA 0.380 4.933 4.556 -0.005 0.000 0.304 366 H C -2.034 173.196 175.328 -0.164 0.000 1.400 366 H CA -1.147 54.807 56.048 -0.157 0.000 1.182 366 H CB 1.043 30.789 29.762 -0.026 0.000 1.865 366 H HN 0.647 nan 8.280 nan 0.000 0.512 367 E N 1.483 121.690 120.200 0.013 0.000 2.207 367 E HA 0.594 4.941 4.350 -0.005 0.000 0.270 367 E C -0.955 175.657 176.600 0.018 0.000 0.927 367 E CA -0.921 55.431 56.400 -0.081 0.000 0.799 367 E CB 2.666 32.448 29.700 0.138 0.000 1.172 367 E HN 0.690 nan 8.360 nan 0.000 0.404 368 E N 1.538 121.718 120.200 -0.033 0.000 2.433 368 E HA 0.292 4.639 4.350 -0.005 0.000 0.273 368 E C -1.053 175.576 176.600 0.049 0.000 0.950 368 E CA -1.070 55.348 56.400 0.030 0.000 0.796 368 E CB 1.339 31.037 29.700 -0.003 0.000 1.330 368 E HN 0.413 nan 8.360 nan 0.000 0.455 369 D N 0.634 121.063 120.400 0.049 0.000 2.382 369 D HA 0.074 4.711 4.640 -0.005 0.000 0.245 369 D C -0.664 175.650 176.300 0.023 0.000 1.120 369 D CA 0.467 54.493 54.000 0.044 0.000 0.890 369 D CB 1.017 41.837 40.800 0.032 0.000 1.201 369 D HN 0.360 nan 8.370 nan 0.000 0.433 370 D N 0.957 121.372 120.400 0.026 0.000 2.819 370 D HA 0.292 4.928 4.640 -0.005 0.000 0.326 370 D C 0.734 177.035 176.300 0.002 0.000 1.408 370 D CA 0.039 54.045 54.000 0.011 0.000 0.811 370 D CB -0.013 40.803 40.800 0.028 0.000 1.148 370 D HN 0.659 nan 8.370 nan 0.000 0.457 371 G N 0.420 109.218 108.800 -0.004 0.000 2.552 371 G HA2 -0.282 3.675 3.960 -0.005 0.000 0.265 371 G HA3 -0.282 3.675 3.960 -0.005 0.000 0.265 371 G C -0.210 174.674 174.900 -0.027 0.000 1.234 371 G CA -0.131 44.961 45.100 -0.013 0.000 0.944 371 G HN 0.299 nan 8.290 nan 0.000 0.568 372 L N 0.430 121.634 121.223 -0.032 0.000 2.371 372 L HA 0.416 4.753 4.340 -0.005 0.000 0.272 372 L C 1.643 178.463 176.870 -0.085 0.000 1.124 372 L CA -0.618 54.185 54.840 -0.062 0.000 0.816 372 L CB 1.250 43.291 42.059 -0.030 0.000 1.129 372 L HN 0.568 nan 8.230 nan 0.000 0.448 373 L N 3.525 124.616 121.223 -0.219 0.000 2.316 373 L HA 0.293 4.629 4.340 -0.005 0.000 0.207 373 L C -0.291 176.499 176.870 -0.133 0.000 1.070 373 L CA 1.054 55.731 54.840 -0.271 0.000 0.820 373 L CB 0.306 42.015 42.059 -0.583 0.000 0.992 373 L HN 0.576 nan 8.230 nan 0.000 0.466 374 F N -2.481 117.489 119.950 0.033 0.000 2.793 374 F HA 0.532 5.056 4.527 -0.005 0.000 0.316 374 F C -0.856 174.972 175.800 0.046 0.000 1.147 374 F CA -1.743 56.278 58.000 0.034 0.000 0.930 374 F CB 0.347 39.364 39.000 0.028 0.000 1.277 374 F HN -0.147 nan 8.300 nan 0.000 0.443 375 K N 1.002 121.611 120.400 0.348 0.000 2.587 375 K HA 0.647 4.964 4.320 -0.005 0.000 0.276 375 K C -2.577 174.171 176.600 0.246 0.000 0.956 375 K CA -0.844 55.594 56.287 0.251 0.000 0.857 375 K CB 2.481 35.055 32.500 0.124 0.000 1.431 375 K HN 1.153 nan 8.250 nan 0.000 0.420 376 H N 0.021 119.151 119.070 0.100 0.000 3.123 376 H HA 0.453 5.006 4.556 -0.005 0.000 0.346 376 H C -2.033 173.343 175.328 0.079 0.000 1.138 376 H CA -0.248 55.841 56.048 0.068 0.000 1.273 376 H CB 1.912 31.710 29.762 0.061 0.000 1.926 376 H HN 0.565 nan 8.280 nan 0.000 0.524 377 S N 3.373 118.710 115.700 -0.606 0.000 2.548 377 S HA 0.248 4.714 4.470 -0.005 0.000 0.286 377 S C -1.183 173.222 174.600 -0.326 0.000 1.098 377 S CA -0.968 57.048 58.200 -0.307 0.000 0.930 377 S CB 1.765 64.905 63.200 -0.100 0.000 1.070 377 S HN 0.671 nan 8.310 nan 0.000 0.480 378 D N 1.154 121.522 120.400 -0.054 0.000 2.264 378 D HA 0.239 4.875 4.640 -0.005 0.000 0.250 378 D C 0.711 177.066 176.300 0.093 0.000 1.113 378 D CA -0.731 53.259 54.000 -0.016 0.000 0.871 378 D CB 0.650 41.394 40.800 -0.094 0.000 1.167 378 D HN 0.464 nan 8.370 nan 0.000 0.447 379 F N 2.996 123.013 119.950 0.112 0.000 2.456 379 F HA 0.175 4.698 4.527 -0.006 0.000 0.298 379 F C 1.956 177.630 175.800 -0.210 0.000 1.104 379 F CA 0.051 57.967 58.000 -0.140 0.000 1.435 379 F CB -0.287 38.715 39.000 0.003 0.000 1.078 379 F HN 0.202 nan 8.300 nan 0.000 0.546 380 R N 1.031 121.029 120.500 -0.837 0.000 2.103 380 R HA -0.162 4.175 4.340 -0.005 0.000 0.242 380 R C 0.480 176.626 176.300 -0.257 0.000 1.142 380 R CA 1.768 57.526 56.100 -0.570 0.000 0.960 380 R CB -0.726 29.227 30.300 -0.579 0.000 0.858 380 R HN 0.511 nan 8.270 nan 0.000 0.439 381 D N -1.306 118.967 120.400 -0.212 0.000 2.894 381 D HA 0.004 4.640 4.640 -0.005 0.000 0.273 381 D C -0.596 175.617 176.300 -0.145 0.000 1.328 381 D CA -0.404 53.516 54.000 -0.132 0.000 0.845 381 D CB -0.827 39.925 40.800 -0.080 0.000 1.072 381 D HN 0.145 nan 8.370 nan 0.000 0.484 382 N N 1.175 119.711 118.700 -0.272 0.000 2.716 382 N HA -0.300 4.437 4.740 -0.005 0.000 0.250 382 N C -0.625 174.673 175.510 -0.354 0.000 1.033 382 N CA 0.353 53.123 53.050 -0.467 0.000 0.727 382 N CB -0.776 37.566 38.487 -0.240 0.000 0.950 382 N HN 0.247 nan 8.380 nan 0.000 0.541 383 F N -4.669 115.287 119.950 0.009 0.000 2.794 383 F HA -0.339 4.185 4.527 -0.006 0.000 0.335 383 F C 1.782 177.591 175.800 0.014 0.000 0.653 383 F CA 0.805 58.804 58.000 -0.002 0.000 1.266 383 F CB -2.217 36.786 39.000 0.005 0.000 1.666 383 F HN 0.306 nan 8.300 nan 0.000 0.314 384 A N -0.838 122.064 122.820 0.136 0.000 1.883 384 A HA -0.108 4.209 4.320 -0.005 0.000 0.217 384 A C 1.502 179.168 177.584 0.136 0.000 1.186 384 A CA 2.147 54.255 52.037 0.119 0.000 0.624 384 A CB -0.703 18.331 19.000 0.057 0.000 0.822 384 A HN 0.379 nan 8.150 nan 0.000 0.444 385 T N 1.011 115.616 114.554 0.086 0.000 2.751 385 T HA 0.431 4.778 4.350 -0.005 0.000 0.290 385 T C -0.207 174.550 174.700 0.094 0.000 0.919 385 T CA 0.820 62.958 62.100 0.064 0.000 1.136 385 T CB 0.038 68.917 68.868 0.017 0.000 0.875 385 T HN 0.431 nan 8.240 nan 0.000 0.532 386 S N 3.582 119.354 115.700 0.121 0.000 2.543 386 S HA 0.676 5.143 4.470 -0.005 0.000 0.274 386 S C -1.946 172.749 174.600 0.159 0.000 1.149 386 S CA -0.926 57.361 58.200 0.146 0.000 0.866 386 S CB 1.103 64.432 63.200 0.215 0.000 1.111 386 S HN 0.671 nan 8.310 nan 0.000 0.457 387 L N 3.930 125.251 121.223 0.163 0.000 2.470 387 L HA 0.880 5.217 4.340 -0.005 0.000 0.268 387 L C -1.835 175.162 176.870 0.211 0.000 0.964 387 L CA -0.479 54.460 54.840 0.166 0.000 0.839 387 L CB 1.776 43.921 42.059 0.142 0.000 1.276 387 L HN 0.562 nan 8.230 nan 0.000 0.403 388 V N 2.918 122.953 119.914 0.202 0.000 2.588 388 V HA 0.643 4.759 4.120 -0.005 0.000 0.304 388 V C -0.427 175.703 176.094 0.061 0.000 1.042 388 V CA -0.385 62.000 62.300 0.142 0.000 0.877 388 V CB 2.108 34.004 31.823 0.123 0.000 0.996 388 V HN 0.798 nan 8.190 nan 0.000 0.425 389 T N 4.787 119.283 114.554 -0.097 0.000 2.881 389 T HA 0.500 4.846 4.350 -0.005 0.000 0.291 389 T C -0.189 174.311 174.700 -0.335 0.000 0.990 389 T CA -0.672 61.265 62.100 -0.272 0.000 0.976 389 T CB 1.284 69.797 68.868 -0.591 0.000 0.970 389 T HN 0.554 nan 8.240 nan 0.000 0.438 390 R N 1.317 121.708 120.500 -0.182 0.000 2.543 390 R HA 0.773 5.110 4.340 -0.005 0.000 0.268 390 R C -0.058 176.163 176.300 -0.132 0.000 1.067 390 R CA -0.735 55.287 56.100 -0.129 0.000 1.142 390 R CB 0.872 31.141 30.300 -0.051 0.000 1.110 390 R HN 0.664 nan 8.270 nan 0.000 0.549 391 A N 0.653 123.430 122.820 -0.072 0.000 2.324 391 A HA 0.490 4.807 4.320 -0.005 0.000 0.330 391 A C -0.410 177.215 177.584 0.068 0.000 1.165 391 A CA -0.446 51.585 52.037 -0.010 0.000 0.813 391 A CB 1.687 20.687 19.000 -0.001 0.000 1.197 391 A HN 0.607 nan 8.150 nan 0.000 0.484 392 T N 0.957 115.608 114.554 0.162 0.000 2.916 392 T HA 0.602 4.948 4.350 -0.005 0.000 0.298 392 T C -0.806 174.131 174.700 0.395 0.000 1.031 392 T CA -0.717 61.525 62.100 0.237 0.000 0.993 392 T CB 0.718 69.749 68.868 0.272 0.000 1.045 392 T HN 0.860 nan 8.240 nan 0.000 0.454 393 K N 4.092 124.611 120.400 0.198 0.000 2.203 393 K HA 0.671 4.988 4.320 -0.005 0.000 0.251 393 K C -0.889 175.515 176.600 -0.326 0.000 0.944 393 K CA -1.200 55.115 56.287 0.048 0.000 0.829 393 K CB 1.903 34.399 32.500 -0.008 0.000 1.125 393 K HN 0.470 nan 8.250 nan 0.000 0.430 394 L N 3.376 124.128 121.223 -0.784 0.000 2.275 394 L HA 0.374 4.710 4.340 -0.005 0.000 0.288 394 L C -1.218 175.385 176.870 -0.444 0.000 1.046 394 L CA -0.882 53.399 54.840 -0.933 0.000 0.805 394 L CB 1.587 42.746 42.059 -1.500 0.000 1.193 394 L HN 0.561 nan 8.230 nan 0.000 0.426 395 V N 5.710 125.361 119.914 -0.439 0.000 2.409 395 V HA 0.363 4.479 4.120 -0.005 0.000 0.291 395 V C -0.143 175.886 176.094 -0.109 0.000 1.020 395 V CA -0.647 61.513 62.300 -0.233 0.000 0.848 395 V CB 2.060 33.693 31.823 -0.318 0.000 0.990 395 V HN 0.463 nan 8.190 nan 0.000 0.430 396 V N 4.044 124.007 119.914 0.081 0.000 2.334 396 V HA 0.590 4.706 4.120 -0.005 0.000 0.281 396 V C 0.150 176.386 176.094 0.237 0.000 1.016 396 V CA -0.022 62.357 62.300 0.131 0.000 0.832 396 V CB 1.423 33.356 31.823 0.183 0.000 0.999 396 V HN 0.880 nan 8.190 nan 0.000 0.439 397 S N 4.131 119.932 115.700 0.169 0.000 2.677 397 S HA 0.886 5.353 4.470 -0.005 0.000 0.304 397 S C -0.964 173.695 174.600 0.099 0.000 1.108 397 S CA -0.542 57.710 58.200 0.088 0.000 0.944 397 S CB 2.099 65.316 63.200 0.029 0.000 1.127 397 S HN 0.931 nan 8.310 nan 0.000 0.511 398 Q N 1.473 121.290 119.800 0.029 0.000 2.522 398 Q HA 0.664 5.001 4.340 -0.005 0.000 0.285 398 Q C -1.959 174.061 176.000 0.034 0.000 0.982 398 Q CA -0.866 55.020 55.803 0.137 0.000 0.805 398 Q CB 1.231 30.174 28.738 0.343 0.000 1.457 398 Q HN 0.642 nan 8.270 nan 0.000 0.394 399 I N 3.090 123.722 120.570 0.103 0.000 2.500 399 I HA 0.475 4.642 4.170 -0.005 0.000 0.286 399 I C -1.181 175.044 176.117 0.180 0.000 1.063 399 I CA -0.878 60.444 61.300 0.036 0.000 1.062 399 I CB 1.367 39.365 38.000 -0.004 0.000 1.223 399 I HN 0.687 nan 8.210 nan 0.000 0.435 400 F N 3.367 123.402 119.950 0.141 0.000 2.538 400 F HA 0.802 5.326 4.527 -0.006 0.000 0.325 400 F C -0.469 175.431 175.800 0.166 0.000 1.066 400 F CA -0.843 57.255 58.000 0.163 0.000 0.946 400 F CB 1.447 40.551 39.000 0.172 0.000 1.199 400 F HN 0.136 nan 8.300 nan 0.000 0.473 401 T N 2.313 117.128 114.554 0.435 0.000 2.779 401 T HA 0.692 5.039 4.350 -0.005 0.000 0.280 401 T C -0.519 174.379 174.700 0.329 0.000 0.987 401 T CA -0.429 61.834 62.100 0.273 0.000 0.966 401 T CB 1.186 70.148 68.868 0.156 0.000 0.933 401 T HN 0.917 nan 8.240 nan 0.000 0.442 402 A N 2.752 125.745 122.820 0.287 0.000 2.786 402 A HA 0.767 5.084 4.320 -0.005 0.000 0.346 402 A C 1.078 178.665 177.584 0.006 0.000 1.265 402 A CA 0.076 52.203 52.037 0.150 0.000 0.858 402 A CB -0.810 18.386 19.000 0.327 0.000 1.118 402 A HN 1.485 nan 8.150 nan 0.000 0.482 403 A N 2.006 124.812 122.820 -0.024 0.000 5.042 403 A HA -0.303 4.013 4.320 -0.005 0.000 0.334 403 A C 0.985 178.625 177.584 0.095 0.000 1.811 403 A CA 1.650 53.713 52.037 0.043 0.000 0.704 403 A CB -2.059 16.952 19.000 0.018 0.000 1.410 403 A HN 1.567 nan 8.150 nan 0.000 0.386 407 Y N 0.211 120.177 120.300 -0.556 0.000 2.345 407 Y HA 0.357 4.904 4.550 -0.006 0.000 0.331 407 Y C -0.061 175.552 175.900 -0.478 0.000 0.959 407 Y CA -0.714 57.038 58.100 -0.580 0.000 1.204 407 Y CB 1.349 39.215 38.460 -0.991 0.000 1.135 407 Y HN 0.499 nan 8.280 nan 0.000 0.477 408 C N 5.775 124.957 119.300 -0.197 0.000 2.265 408 C HA 0.590 5.046 4.460 -0.005 0.000 0.332 408 C C 0.042 174.792 174.990 -0.400 0.000 1.248 408 C CA -1.201 57.656 59.018 -0.268 0.000 1.727 408 C CB -1.264 26.418 27.740 -0.098 0.000 2.348 408 C HN 0.626 nan 8.230 nan 0.000 0.519 409 L N 3.754 124.661 121.223 -0.527 0.000 2.307 409 L HA 0.554 4.891 4.340 -0.005 0.000 0.284 409 L C -1.093 175.369 176.870 -0.681 0.000 1.023 409 L CA -0.495 54.070 54.840 -0.458 0.000 0.810 409 L CB 0.630 42.592 42.059 -0.162 0.000 1.231 409 L HN 0.595 nan 8.230 nan 0.000 0.423 410 Y N 0.583 120.716 120.300 -0.280 0.000 2.349 410 Y HA 0.315 4.862 4.550 -0.006 0.000 0.324 410 Y C -0.933 174.748 175.900 -0.365 0.000 1.005 410 Y CA -0.771 57.201 58.100 -0.214 0.000 1.240 410 Y CB 1.004 39.372 38.460 -0.153 0.000 1.117 410 Y HN 0.473 nan 8.280 nan 0.000 0.463 411 W N 3.716 125.024 121.300 0.012 0.000 2.358 411 W HA 0.607 5.263 4.660 -0.006 0.000 0.307 411 W C -0.832 175.608 176.519 -0.131 0.000 1.203 411 W CA -0.708 56.571 57.345 -0.109 0.000 1.279 411 W CB 0.971 30.379 29.460 -0.087 0.000 1.264 411 W HN 0.149 nan 8.180 nan 0.000 0.474 412 V N 5.345 125.192 119.914 -0.113 0.000 2.417 412 V HA 0.426 4.543 4.120 -0.005 0.000 0.291 412 V C -0.484 175.411 176.094 -0.333 0.000 1.024 412 V CA -1.101 61.108 62.300 -0.151 0.000 0.861 412 V CB 0.619 32.357 31.823 -0.143 0.000 0.985 412 V HN 0.203 nan 8.190 nan 0.000 0.436 413 F N 4.264 124.080 119.950 -0.223 0.000 2.450 413 F HA 0.744 5.267 4.527 -0.006 0.000 0.332 413 F C 0.318 176.193 175.800 0.125 0.000 1.093 413 F CA -0.490 57.395 58.000 -0.192 0.000 1.003 413 F CB 1.835 40.593 39.000 -0.404 0.000 1.151 413 F HN 0.285 nan 8.300 nan 0.000 0.474 414 M N 1.539 121.466 119.600 0.544 0.000 2.716 414 M HA 0.309 4.786 4.480 -0.005 0.000 0.307 414 M C 0.418 177.151 176.300 0.722 0.000 1.223 414 M CA -0.616 55.037 55.300 0.588 0.000 0.871 414 M CB 2.293 35.073 32.600 0.300 0.000 1.739 414 M HN 0.571 nan 8.290 nan 0.000 0.475 415 Q N 0.665 120.747 119.800 0.470 0.000 2.466 415 Q HA -0.083 4.254 4.340 -0.005 0.000 0.210 415 Q C 0.092 176.192 176.000 0.167 0.000 0.961 415 Q CA 0.555 56.499 55.803 0.236 0.000 0.953 415 Q CB -0.078 28.714 28.738 0.090 0.000 1.011 415 Q HN 0.584 nan 8.270 nan 0.000 0.516 416 D N -1.653 118.866 120.400 0.198 0.000 2.398 416 D HA 0.090 4.726 4.640 -0.005 0.000 0.210 416 D C 1.138 177.479 176.300 0.069 0.000 1.094 416 D CA 0.543 54.601 54.000 0.096 0.000 0.839 416 D CB 0.470 41.338 40.800 0.114 0.000 0.963 416 D HN 0.186 nan 8.370 nan 0.000 0.506 417 G N -0.011 108.924 108.800 0.226 0.000 2.176 417 G HA2 -0.127 3.830 3.960 -0.005 0.000 0.232 417 G HA3 -0.127 3.830 3.960 -0.005 0.000 0.232 417 G C 0.500 175.731 174.900 0.551 0.000 0.986 417 G CA 0.080 45.364 45.100 0.308 0.000 0.643 417 G HN 0.794 nan 8.290 nan 0.000 0.522 418 A N -0.110 122.942 122.820 0.387 0.000 2.340 418 A HA 0.783 5.100 4.320 -0.005 0.000 0.268 418 A C 0.182 177.901 177.584 0.224 0.000 1.100 418 A CA 0.077 52.285 52.037 0.284 0.000 0.803 418 A CB 0.471 19.554 19.000 0.138 0.000 1.043 418 A HN 0.810 nan 8.150 nan 0.000 0.488 419 I N 1.073 121.698 120.570 0.092 0.000 2.509 419 I HA 0.545 4.711 4.170 -0.005 0.000 0.293 419 I C 0.164 176.172 176.117 -0.181 0.000 1.020 419 I CA -0.416 60.746 61.300 -0.230 0.000 1.088 419 I CB 1.971 39.785 38.000 -0.310 0.000 1.267 419 I HN 0.823 nan 8.210 nan 0.000 0.430 420 R N 6.133 126.474 120.500 -0.266 0.000 2.725 420 R HA 0.624 4.961 4.340 -0.005 0.000 0.277 420 R C -2.043 174.078 176.300 -0.299 0.000 0.987 420 R CA -0.721 55.244 56.100 -0.226 0.000 0.901 420 R CB 2.254 32.453 30.300 -0.167 0.000 1.207 420 R HN 0.623 nan 8.270 nan 0.000 0.463 421 L N 4.079 125.081 121.223 -0.369 0.000 2.318 421 L HA 0.440 4.777 4.340 -0.005 0.000 0.277 421 L C -1.430 175.196 176.870 -0.407 0.000 1.008 421 L CA -0.635 53.877 54.840 -0.546 0.000 0.846 421 L CB 1.484 43.097 42.059 -0.743 0.000 1.220 421 L HN 0.725 nan 8.230 nan 0.000 0.423 422 D N 5.874 126.096 120.400 -0.297 0.000 2.168 422 D HA 0.546 5.183 4.640 -0.005 0.000 0.246 422 D C -0.277 175.988 176.300 -0.059 0.000 1.050 422 D CA 0.032 53.931 54.000 -0.168 0.000 0.857 422 D CB 2.702 43.407 40.800 -0.158 0.000 1.169 422 D HN 0.358 nan 8.370 nan 0.000 0.453 423 I N 1.441 121.967 120.570 -0.073 0.000 2.689 423 I HA 0.407 4.573 4.170 -0.005 0.000 0.299 423 I C -0.033 176.081 176.117 -0.005 0.000 1.059 423 I CA -0.808 60.461 61.300 -0.051 0.000 1.055 423 I CB 2.164 40.037 38.000 -0.212 0.000 1.243 423 I HN -0.055 nan 8.210 nan 0.000 0.425 424 R N 5.879 126.400 120.500 0.036 0.000 2.502 424 R HA 0.610 4.947 4.340 -0.005 0.000 0.300 424 R C -1.511 174.721 176.300 -0.112 0.000 0.984 424 R CA -0.811 55.280 56.100 -0.015 0.000 0.882 424 R CB 2.207 32.544 30.300 0.062 0.000 1.180 424 R HN 0.477 nan 8.270 nan 0.000 0.444 425 L N 2.042 123.153 121.223 -0.187 0.000 2.282 425 L HA 0.552 4.889 4.340 -0.005 0.000 0.288 425 L C 0.527 177.226 176.870 -0.285 0.000 1.033 425 L CA -0.321 54.315 54.840 -0.340 0.000 0.807 425 L CB 1.688 43.484 42.059 -0.439 0.000 1.209 425 L HN 0.633 nan 8.230 nan 0.000 0.423 426 T N 0.951 115.316 114.554 -0.316 0.000 2.618 426 T HA 0.842 5.189 4.350 -0.005 0.000 0.293 426 T C -0.112 174.433 174.700 -0.258 0.000 1.093 426 T CA 0.395 62.353 62.100 -0.237 0.000 1.061 426 T CB 1.613 70.369 68.868 -0.186 0.000 1.498 426 T HN 1.011 nan 8.240 nan 0.000 0.494 427 G N 0.313 108.971 108.800 -0.237 0.000 2.464 427 G HA2 0.005 3.962 3.960 -0.005 0.000 0.216 427 G HA3 0.005 3.962 3.960 -0.005 0.000 0.216 427 G C -1.240 173.504 174.900 -0.261 0.000 1.186 427 G CA -0.208 44.745 45.100 -0.245 0.000 1.010 427 G HN 0.936 nan 8.290 nan 0.000 0.585 428 I N 0.855 121.262 120.570 -0.272 0.000 2.608 428 I HA 0.448 4.615 4.170 -0.005 0.000 0.295 428 I C 0.570 176.553 176.117 -0.223 0.000 1.049 428 I CA -0.885 60.230 61.300 -0.309 0.000 1.063 428 I CB 1.912 39.581 38.000 -0.551 0.000 1.248 428 I HN 0.501 nan 8.210 nan 0.000 0.424 429 L N 5.131 126.329 121.223 -0.041 0.000 2.490 429 L HA 0.047 4.384 4.340 -0.005 0.000 0.274 429 L C 0.812 177.691 176.870 0.015 0.000 1.201 429 L CA 0.154 55.029 54.840 0.060 0.000 0.869 429 L CB 0.008 42.166 42.059 0.164 0.000 1.123 429 L HN 0.684 nan 8.230 nan 0.000 0.484 430 N N 2.485 121.230 118.700 0.076 0.000 2.497 430 N HA 0.079 4.816 4.740 -0.005 0.000 0.268 430 N C -0.707 174.887 175.510 0.140 0.000 1.171 430 N CA -0.204 52.939 53.050 0.155 0.000 0.948 430 N CB 1.054 39.635 38.487 0.157 0.000 1.069 430 N HN 0.681 nan 8.380 nan 0.000 0.460 431 T N 0.781 115.492 114.554 0.262 0.000 2.907 431 T HA 0.443 4.790 4.350 -0.005 0.000 0.292 431 T C -1.002 173.796 174.700 0.164 0.000 1.043 431 T CA -0.743 61.452 62.100 0.159 0.000 1.003 431 T CB 1.561 70.557 68.868 0.214 0.000 1.084 431 T HN 0.530 nan 8.240 nan 0.000 0.483 432 Y N 1.090 121.283 120.300 -0.178 0.000 2.605 432 Y HA 0.692 5.239 4.550 -0.005 0.000 0.343 432 Y C -0.618 175.210 175.900 -0.121 0.000 1.036 432 Y CA -2.210 55.772 58.100 -0.197 0.000 1.065 432 Y CB 1.486 39.731 38.460 -0.358 0.000 1.288 432 Y HN 0.988 nan 8.280 nan 0.000 0.481 433 I N 4.085 123.996 120.570 -1.099 0.000 2.696 433 I HA 0.278 4.445 4.170 -0.005 0.000 0.284 433 I C -1.287 174.568 176.117 -0.437 0.000 1.129 433 I CA -0.256 60.647 61.300 -0.663 0.000 1.410 433 I CB 0.516 38.152 38.000 -0.605 0.000 1.399 433 I HN 0.606 nan 8.210 nan 0.000 0.579 434 L N 7.310 128.412 121.223 -0.202 0.000 2.381 434 L HA 0.647 4.984 4.340 -0.005 0.000 0.274 434 L C 0.111 176.949 176.870 -0.053 0.000 0.988 434 L CA -0.119 54.676 54.840 -0.076 0.000 0.824 434 L CB 1.500 43.528 42.059 -0.052 0.000 1.263 434 L HN 0.650 nan 8.230 nan 0.000 0.410 435 G N 2.353 111.146 108.800 -0.012 0.000 2.664 435 G HA2 0.065 4.022 3.960 -0.005 0.000 0.242 435 G HA3 0.065 4.022 3.960 -0.005 0.000 0.242 435 G C 0.290 175.188 174.900 -0.002 0.000 1.225 435 G CA -0.134 44.964 45.100 -0.002 0.000 0.849 435 G HN 0.790 nan 8.290 nan 0.000 0.581 436 D N -0.246 120.157 120.400 0.006 0.000 2.123 436 D HA -0.070 4.567 4.640 -0.005 0.000 0.196 436 D C 1.095 177.397 176.300 0.004 0.000 0.992 436 D CA 1.214 55.221 54.000 0.011 0.000 0.833 436 D CB 0.234 41.045 40.800 0.019 0.000 0.954 436 D HN 0.334 nan 8.370 nan 0.000 0.455 437 D N 0.250 120.655 120.400 0.007 0.000 2.559 437 D HA 0.052 4.688 4.640 -0.005 0.000 0.234 437 D C -0.203 176.103 176.300 0.011 0.000 1.226 437 D CA -0.078 53.925 54.000 0.006 0.000 0.830 437 D CB 0.303 41.108 40.800 0.008 0.000 1.028 437 D HN 0.263 nan 8.370 nan 0.000 0.492 438 E N 1.407 121.616 120.200 0.015 0.000 2.216 438 E HA 0.167 4.513 4.350 -0.005 0.000 0.279 438 E C -0.506 176.108 176.600 0.023 0.000 0.997 438 E CA -0.586 55.832 56.400 0.030 0.000 0.817 438 E CB 1.316 31.044 29.700 0.047 0.000 1.096 438 E HN -0.164 nan 8.360 nan 0.000 0.393 439 E N 2.915 123.130 120.200 0.025 0.000 2.259 439 E HA 0.247 4.594 4.350 -0.005 0.000 0.281 439 E C -0.045 176.572 176.600 0.028 0.000 1.027 439 E CA 0.039 56.444 56.400 0.009 0.000 0.838 439 E CB 1.413 31.108 29.700 -0.009 0.000 1.066 439 E HN 0.546 nan 8.360 nan 0.000 0.401 440 A N 4.309 127.141 122.820 0.021 0.000 2.259 440 A HA 0.208 4.524 4.320 -0.005 0.000 0.212 440 A C 1.386 178.985 177.584 0.025 0.000 1.178 440 A CA 0.909 52.980 52.037 0.056 0.000 0.734 440 A CB -1.525 17.499 19.000 0.040 0.000 0.774 440 A HN 1.094 nan 8.150 nan 0.000 0.481 441 G N -0.145 108.627 108.800 -0.046 0.000 2.581 441 G HA2 -0.278 3.678 3.960 -0.005 0.000 0.289 441 G HA3 -0.278 3.678 3.960 -0.005 0.000 0.289 441 G C -0.901 173.824 174.900 -0.292 0.000 1.303 441 G CA 0.251 45.242 45.100 -0.181 0.000 0.931 441 G HN 0.380 nan 8.290 nan 0.000 0.555 442 P HA 0.116 nan 4.420 nan 0.000 0.251 442 P C 1.122 178.158 177.300 -0.439 0.000 1.223 442 P CA 1.387 64.121 63.100 -0.610 0.000 0.796 442 P CB -0.077 31.109 31.700 -0.858 0.000 1.068 443 W N 0.519 121.860 121.300 0.069 0.000 3.003 443 W HA 0.390 5.047 4.660 -0.006 0.000 0.257 443 W C 1.075 177.676 176.519 0.136 0.000 1.308 443 W CA 0.041 57.427 57.345 0.069 0.000 1.529 443 W CB 0.076 29.518 29.460 -0.031 0.000 1.115 443 W HN -0.038 nan 8.180 nan 0.000 0.659 444 G N -0.548 108.421 108.800 0.281 0.000 2.687 444 G HA2 0.558 4.515 3.960 -0.005 0.000 0.291 444 G HA3 0.558 4.515 3.960 -0.005 0.000 0.291 444 G C -1.420 173.570 174.900 0.151 0.000 1.420 444 G CA -0.612 44.661 45.100 0.289 0.000 0.796 444 G HN -0.281 nan 8.290 nan 0.000 0.485 445 T N -0.081 114.538 114.554 0.108 0.000 2.863 445 T HA 0.472 4.819 4.350 -0.005 0.000 0.285 445 T C -0.047 174.649 174.700 -0.006 0.000 1.009 445 T CA -0.637 61.490 62.100 0.045 0.000 0.989 445 T CB 1.875 70.772 68.868 0.050 0.000 1.004 445 T HN 0.565 nan 8.240 nan 0.000 0.455 446 R N 2.807 123.292 120.500 -0.025 0.000 2.419 446 R HA 0.307 4.644 4.340 -0.005 0.000 0.305 446 R C 0.996 177.248 176.300 -0.080 0.000 1.242 446 R CA -0.289 55.772 56.100 -0.065 0.000 1.105 446 R CB -0.256 30.009 30.300 -0.059 0.000 1.116 446 R HN 0.573 nan 8.270 nan 0.000 0.523 447 V N 2.005 121.834 119.914 -0.142 0.000 3.623 447 V HA 0.233 4.350 4.120 -0.005 0.000 0.271 447 V C -0.246 175.810 176.094 -0.063 0.000 1.248 447 V CA 0.194 62.411 62.300 -0.139 0.000 1.156 447 V CB -1.089 30.564 31.823 -0.282 0.000 0.870 447 V HN 0.690 nan 8.190 nan 0.000 0.453 448 Y N -0.988 119.151 120.300 -0.269 0.000 2.638 448 Y HA 0.531 5.078 4.550 -0.006 0.000 0.334 448 Y C -3.128 172.637 175.900 -0.226 0.000 1.182 448 Y CA -2.149 55.841 58.100 -0.183 0.000 1.102 448 Y CB 1.486 39.861 38.460 -0.142 0.000 1.343 448 Y HN -0.112 nan 8.280 nan 0.000 0.463 449 P HA 0.065 nan 4.420 nan 0.000 0.260 449 P C -0.464 176.611 177.300 -0.375 0.000 1.172 449 P CA 1.260 63.973 63.100 -0.644 0.000 0.760 449 P CB 0.292 31.239 31.700 -1.254 0.000 0.773 450 N N -0.336 118.241 118.700 -0.205 0.000 2.800 450 N HA -0.133 4.604 4.740 -0.005 0.000 0.250 450 N C -0.750 174.686 175.510 -0.123 0.000 1.078 450 N CA 0.806 53.786 53.050 -0.117 0.000 0.804 450 N CB -1.514 36.937 38.487 -0.061 0.000 1.135 450 N HN 0.176 nan 8.380 nan 0.000 0.565 451 V N 1.049 120.889 119.914 -0.123 0.000 2.448 451 V HA 0.356 4.473 4.120 -0.005 0.000 0.295 451 V C 0.326 176.328 176.094 -0.154 0.000 1.025 451 V CA -0.848 61.365 62.300 -0.144 0.000 0.859 451 V CB 2.108 33.810 31.823 -0.202 0.000 0.988 451 V HN 0.220 nan 8.190 nan 0.000 0.431 452 N N 2.998 121.617 118.700 -0.135 0.000 2.479 452 N HA 0.643 5.380 4.740 -0.005 0.000 0.261 452 N C -0.455 174.959 175.510 -0.159 0.000 0.979 452 N CA -0.450 52.540 53.050 -0.100 0.000 0.930 452 N CB 1.307 39.784 38.487 -0.017 0.000 1.172 452 N HN 0.851 nan 8.380 nan 0.000 0.499 453 A N 3.552 126.315 122.820 -0.095 0.000 2.280 453 A HA 0.262 4.578 4.320 -0.005 0.000 0.320 453 A C -0.601 177.043 177.584 0.101 0.000 1.366 453 A CA -0.433 51.578 52.037 -0.045 0.000 0.938 453 A CB -0.145 18.830 19.000 -0.041 0.000 1.157 453 A HN 0.845 nan 8.150 nan 0.000 0.536 454 H N 2.089 121.261 119.070 0.170 0.000 2.790 454 H HA 0.071 4.624 4.556 -0.006 0.000 0.358 454 H C 0.211 175.692 175.328 0.255 0.000 1.103 454 H CA -0.477 55.709 56.048 0.230 0.000 1.426 454 H CB 0.682 30.607 29.762 0.272 0.000 1.424 454 H HN 0.659 nan 8.280 nan 0.000 0.599 455 N N 2.650 121.533 118.700 0.306 0.000 2.416 455 N HA 0.022 4.758 4.740 -0.005 0.000 0.246 455 N C -0.123 175.327 175.510 -0.100 0.000 1.260 455 N CA 0.361 53.428 53.050 0.027 0.000 0.897 455 N CB 0.446 38.984 38.487 0.084 0.000 1.110 455 N HN 0.703 nan 8.380 nan 0.000 0.439 456 H N -2.057 116.727 119.070 -0.477 0.000 2.987 456 H HA 0.327 4.879 4.556 -0.005 0.000 0.316 456 H C -1.468 173.548 175.328 -0.520 0.000 1.380 456 H CA -0.770 54.871 56.048 -0.679 0.000 1.160 456 H CB 0.875 29.785 29.762 -1.419 0.000 1.865 456 H HN 0.410 nan 8.280 nan 0.000 0.521 457 Q N 0.572 120.125 119.800 -0.412 0.000 2.348 457 Q HA 0.358 4.695 4.340 -0.005 0.000 0.271 457 Q C -0.883 174.947 176.000 -0.284 0.000 1.067 457 Q CA -0.978 54.644 55.803 -0.302 0.000 0.839 457 Q CB 2.566 31.191 28.738 -0.189 0.000 1.354 457 Q HN 0.515 nan 8.270 nan 0.000 0.447 458 H N 2.075 121.133 119.070 -0.021 0.000 2.638 458 H HA 0.415 4.968 4.556 -0.006 0.000 0.317 458 H C -0.879 174.321 175.328 -0.214 0.000 1.006 458 H CA -0.221 55.798 56.048 -0.049 0.000 1.222 458 H CB 0.759 30.616 29.762 0.157 0.000 1.419 458 H HN 0.361 nan 8.280 nan 0.000 0.489 459 L N 4.017 125.061 121.223 -0.299 0.000 2.346 459 L HA 0.459 4.795 4.340 -0.005 0.000 0.276 459 L C -0.800 175.790 176.870 -0.467 0.000 1.006 459 L CA -0.782 53.920 54.840 -0.229 0.000 0.817 459 L CB 1.397 43.432 42.059 -0.041 0.000 1.272 459 L HN 0.319 nan 8.230 nan 0.000 0.421 460 F N 0.087 119.879 119.950 -0.263 0.000 2.561 460 F HA 0.456 4.980 4.527 -0.005 0.000 0.321 460 F C 0.349 175.977 175.800 -0.286 0.000 1.065 460 F CA -0.837 56.934 58.000 -0.382 0.000 0.934 460 F CB 2.131 40.628 39.000 -0.839 0.000 1.215 460 F HN 0.241 nan 8.300 nan 0.000 0.471 461 S N 3.529 119.117 115.700 -0.186 0.000 2.516 461 S HA 0.376 4.843 4.470 -0.005 0.000 0.268 461 S C -0.888 173.745 174.600 0.056 0.000 1.251 461 S CA -0.617 57.468 58.200 -0.191 0.000 1.153 461 S CB -0.020 62.651 63.200 -0.882 0.000 1.009 461 S HN 0.652 nan 8.310 nan 0.000 0.479 462 L N 5.667 127.050 121.223 0.268 0.000 2.418 462 L HA 0.362 4.698 4.340 -0.005 0.000 0.274 462 L C 0.370 177.236 176.870 -0.006 0.000 1.135 462 L CA 0.049 55.022 54.840 0.221 0.000 0.870 462 L CB 0.387 42.630 42.059 0.307 0.000 1.154 462 L HN 0.698 nan 8.230 nan 0.000 0.462 463 R N 6.458 126.841 120.500 -0.197 0.000 2.265 463 R HA 0.529 4.866 4.340 -0.005 0.000 0.328 463 R C -1.181 174.856 176.300 -0.439 0.000 0.969 463 R CA -0.560 55.179 56.100 -0.601 0.000 0.832 463 R CB 0.828 30.712 30.300 -0.693 0.000 1.139 463 R HN 0.640 nan 8.270 nan 0.000 0.457 464 I N 3.571 123.887 120.570 -0.423 0.000 2.389 464 I HA 0.179 4.345 4.170 -0.005 0.000 0.288 464 I C -0.627 175.340 176.117 -0.249 0.000 0.999 464 I CA -0.746 60.318 61.300 -0.394 0.000 1.129 464 I CB 1.934 39.640 38.000 -0.491 0.000 1.288 464 I HN 0.503 nan 8.210 nan 0.000 0.444 465 D N 9.470 129.759 120.400 -0.185 0.000 2.472 465 D HA 0.336 4.973 4.640 -0.005 0.000 0.234 465 D C -2.559 173.770 176.300 0.049 0.000 1.088 465 D CA -2.089 51.893 54.000 -0.030 0.000 0.882 465 D CB 1.489 42.304 40.800 0.025 0.000 1.037 465 D HN 0.137 nan 8.370 nan 0.000 0.520 466 P HA 0.352 nan 4.420 nan 0.000 0.278 466 P C -0.431 176.946 177.300 0.128 0.000 1.258 466 P CA -0.559 62.682 63.100 0.234 0.000 0.811 466 P CB 1.298 33.127 31.700 0.214 0.000 1.063 467 R N 1.175 121.746 120.500 0.118 0.000 2.470 467 R HA 0.246 4.583 4.340 -0.005 0.000 0.296 467 R C -0.227 176.103 176.300 0.050 0.000 1.187 467 R CA -0.234 55.900 56.100 0.058 0.000 1.310 467 R CB -0.360 29.980 30.300 0.067 0.000 1.369 467 R HN 0.268 nan 8.270 nan 0.000 0.733 468 I N 2.630 123.240 120.570 0.066 0.000 2.948 468 I HA -0.056 4.111 4.170 -0.005 0.000 0.284 468 I C 0.372 176.589 176.117 0.167 0.000 1.181 468 I CA 1.120 62.502 61.300 0.137 0.000 1.372 468 I CB -0.358 37.758 38.000 0.195 0.000 1.443 468 I HN 0.636 nan 8.210 nan 0.000 0.554 469 D N 4.874 125.405 120.400 0.218 0.000 2.837 469 D HA -0.151 4.485 4.640 -0.005 0.000 0.230 469 D C 0.510 176.820 176.300 0.017 0.000 1.152 469 D CA 1.635 55.668 54.000 0.055 0.000 0.736 469 D CB -0.687 40.008 40.800 -0.174 0.000 1.084 469 D HN 1.162 nan 8.370 nan 0.000 0.429 470 G N -1.165 107.659 108.800 0.041 0.000 2.343 470 G HA2 0.058 4.015 3.960 -0.005 0.000 0.562 470 G HA3 0.058 4.015 3.960 -0.005 0.000 0.562 470 G C -1.289 173.617 174.900 0.010 0.000 1.269 470 G CA -0.248 44.863 45.100 0.017 0.000 1.011 470 G HN 0.160 nan 8.290 nan 0.000 0.498 471 D N 0.435 120.831 120.400 -0.006 0.000 2.253 471 D HA 0.546 5.183 4.640 -0.005 0.000 0.249 471 D C 0.795 177.086 176.300 -0.015 0.000 1.049 471 D CA 1.249 55.237 54.000 -0.020 0.000 0.929 471 D CB 1.333 42.113 40.800 -0.032 0.000 1.176 471 D HN 2.027 nan 8.370 nan 0.000 0.437 472 G N 1.366 110.154 108.800 -0.021 0.000 2.894 472 G HA2 -0.165 3.792 3.960 -0.005 0.000 0.263 472 G HA3 -0.165 3.792 3.960 -0.005 0.000 0.263 472 G C -0.635 174.245 174.900 -0.034 0.000 1.013 472 G CA -0.755 44.335 45.100 -0.018 0.000 1.226 472 G HN 0.400 nan 8.290 nan 0.000 0.563 473 N N -0.372 118.295 118.700 -0.054 0.000 2.531 473 N HA 0.888 5.625 4.740 -0.005 0.000 0.290 473 N C -0.071 175.310 175.510 -0.215 0.000 1.257 473 N CA -0.303 52.673 53.050 -0.124 0.000 0.863 473 N CB 2.065 40.515 38.487 -0.063 0.000 1.320 473 N HN 0.465 nan 8.380 nan 0.000 0.538 474 S N -0.832 114.570 115.700 -0.497 0.000 2.638 474 S HA 0.900 5.366 4.470 -0.005 0.000 0.274 474 S C -1.281 172.977 174.600 -0.570 0.000 1.157 474 S CA -0.759 57.109 58.200 -0.554 0.000 0.826 474 S CB 1.967 64.716 63.200 -0.752 0.000 1.139 474 S HN 0.709 nan 8.310 nan 0.000 0.474 475 A N 0.378 123.109 122.820 -0.148 0.000 2.413 475 A HA 1.007 5.324 4.320 -0.005 0.000 0.307 475 A C -0.846 176.666 177.584 -0.119 0.000 1.087 475 A CA -0.608 51.499 52.037 0.116 0.000 0.750 475 A CB 1.518 20.804 19.000 0.476 0.000 1.296 475 A HN 1.453 nan 8.150 nan 0.000 0.423 476 A N -0.066 122.690 122.820 -0.106 0.000 2.594 476 A HA 0.862 5.178 4.320 -0.005 0.000 0.295 476 A C -0.361 177.095 177.584 -0.214 0.000 1.071 476 A CA 0.037 51.815 52.037 -0.432 0.000 0.685 476 A CB 1.079 20.094 19.000 0.023 0.000 1.285 476 A HN 2.424 nan 8.150 nan 0.000 0.405 477 A N -0.068 122.613 122.820 -0.233 0.000 2.306 477 A HA 0.612 4.928 4.320 -0.005 0.000 0.314 477 A C -0.385 177.139 177.584 -0.100 0.000 1.164 477 A CA -0.339 51.674 52.037 -0.039 0.000 0.822 477 A CB 0.265 19.374 19.000 0.182 0.000 1.130 477 A HN 1.256 nan 8.150 nan 0.000 0.496 478 C N 2.452 121.648 119.300 -0.174 0.000 2.316 478 C HA 0.566 5.023 4.460 -0.005 0.000 0.324 478 C C -0.856 174.039 174.990 -0.157 0.000 1.226 478 C CA -0.902 58.044 59.018 -0.120 0.000 1.450 478 C CB 0.065 27.763 27.740 -0.071 0.000 2.123 478 C HN 0.787 nan 8.230 nan 0.000 0.454 479 D N 2.273 122.592 120.400 -0.135 0.000 2.391 479 D HA 0.495 5.131 4.640 -0.005 0.000 0.245 479 D C -0.224 175.962 176.300 -0.191 0.000 1.069 479 D CA 0.104 54.008 54.000 -0.160 0.000 0.831 479 D CB 2.225 42.942 40.800 -0.138 0.000 1.204 479 D HN 0.654 nan 8.370 nan 0.000 0.503 480 A N 3.041 125.748 122.820 -0.187 0.000 2.409 480 A HA 0.409 4.726 4.320 -0.005 0.000 0.262 480 A C 0.128 177.546 177.584 -0.276 0.000 1.113 480 A CA -0.062 51.844 52.037 -0.219 0.000 0.790 480 A CB 0.446 19.326 19.000 -0.202 0.000 1.046 480 A HN 0.425 nan 8.150 nan 0.000 0.496 481 K N 1.930 122.099 120.400 -0.385 0.000 2.502 481 K HA 0.453 4.770 4.320 -0.005 0.000 0.257 481 K C -0.797 175.748 176.600 -0.091 0.000 0.938 481 K CA -0.669 55.430 56.287 -0.312 0.000 0.819 481 K CB 2.207 34.451 32.500 -0.427 0.000 1.333 481 K HN 0.600 nan 8.250 nan 0.000 0.434 482 S N 0.972 116.706 115.700 0.055 0.000 2.585 482 S HA 0.052 4.519 4.470 -0.005 0.000 0.273 482 S C 0.347 175.150 174.600 0.339 0.000 1.339 482 S CA -0.373 57.947 58.200 0.200 0.000 1.028 482 S CB 1.119 64.394 63.200 0.124 0.000 0.906 482 S HN 0.609 nan 8.310 nan 0.000 0.528 483 S N 2.540 118.461 115.700 0.368 0.000 2.568 483 S HA 0.116 4.583 4.470 -0.005 0.000 0.282 483 S C -1.246 173.496 174.600 0.235 0.000 1.338 483 S CA -1.126 57.280 58.200 0.343 0.000 1.045 483 S CB 0.322 63.687 63.200 0.275 0.000 0.873 483 S HN 0.537 nan 8.310 nan 0.000 0.516 484 P HA -0.008 nan 4.420 nan 0.000 0.223 484 P C -0.238 176.989 177.300 -0.121 0.000 1.151 484 P CA 0.752 63.836 63.100 -0.026 0.000 0.787 484 P CB -0.121 31.488 31.700 -0.151 0.000 0.788 485 Y N 2.322 122.644 120.300 0.037 0.000 2.346 485 Y HA 0.214 4.762 4.550 -0.003 0.000 0.330 485 Y C -1.395 174.523 175.900 0.031 0.000 1.178 485 Y CA -2.258 55.855 58.100 0.023 0.000 1.331 485 Y CB -0.351 38.115 38.460 0.010 0.000 1.253 485 Y HN 0.028 nan 8.280 nan 0.000 0.529 486 P HA 0.098 nan 4.420 nan 0.000 0.278 486 P C -0.516 176.835 177.300 0.085 0.000 1.266 486 P CA -0.607 62.550 63.100 0.095 0.000 0.807 486 P CB 1.266 32.999 31.700 0.055 0.000 1.094 487 L N 0.574 121.830 121.223 0.055 0.000 2.525 487 L HA 0.075 4.411 4.340 -0.005 0.000 0.278 487 L C 1.563 178.430 176.870 -0.006 0.000 1.218 487 L CA 1.893 56.750 54.840 0.028 0.000 0.878 487 L CB -0.697 41.377 42.059 0.024 0.000 1.127 487 L HN 0.917 nan 8.230 nan 0.000 0.492 488 G N 2.295 111.060 108.800 -0.058 0.000 2.199 488 G HA2 -0.294 3.663 3.960 -0.005 0.000 0.254 488 G HA3 -0.294 3.663 3.960 -0.005 0.000 0.254 488 G C 0.284 175.151 174.900 -0.055 0.000 0.982 488 G CA 0.387 45.437 45.100 -0.084 0.000 0.632 488 G HN 0.891 nan 8.290 nan 0.000 0.529 489 S N 0.324 116.016 115.700 -0.012 0.000 2.601 489 S HA 0.622 5.089 4.470 -0.005 0.000 0.271 489 S C -0.877 173.700 174.600 -0.038 0.000 1.305 489 S CA -0.642 57.563 58.200 0.009 0.000 1.022 489 S CB 2.206 65.465 63.200 0.098 0.000 0.940 489 S HN -0.010 nan 8.310 nan 0.000 0.525 490 P HA -0.086 nan 4.420 nan 0.000 0.217 490 P C 0.721 177.955 177.300 -0.109 0.000 1.148 490 P CA 1.214 64.270 63.100 -0.073 0.000 0.828 490 P CB -0.007 31.651 31.700 -0.069 0.000 0.783 491 E N -1.934 118.155 120.200 -0.184 0.000 2.371 491 E HA -0.018 4.329 4.350 -0.005 0.000 0.194 491 E C 0.750 177.264 176.600 -0.142 0.000 1.012 491 E CA 0.553 56.773 56.400 -0.300 0.000 0.860 491 E CB -0.302 28.890 29.700 -0.848 0.000 0.811 491 E HN 0.088 nan 8.360 nan 0.000 0.502 492 N N -0.298 118.380 118.700 -0.036 0.000 2.620 492 N HA 0.075 4.812 4.740 -0.005 0.000 0.277 492 N C 0.230 175.758 175.510 0.030 0.000 1.726 492 N CA -0.018 53.059 53.050 0.044 0.000 0.840 492 N CB 0.032 38.588 38.487 0.115 0.000 1.379 492 N HN -0.058 nan 8.380 nan 0.000 0.506 493 M N 0.327 119.917 119.600 -0.016 0.000 2.103 493 M HA -0.135 4.342 4.480 -0.005 0.000 0.255 493 M C 0.296 176.426 176.300 -0.283 0.000 1.074 493 M CA 2.099 57.290 55.300 -0.181 0.000 1.090 493 M CB -0.349 32.083 32.600 -0.280 0.000 1.325 493 M HN 0.364 nan 8.290 nan 0.000 0.403 494 Y N -0.681 119.633 120.300 0.022 0.000 2.468 494 Y HA 0.440 4.986 4.550 -0.007 0.000 0.268 494 Y C 1.465 177.390 175.900 0.043 0.000 1.177 494 Y CA 0.082 58.199 58.100 0.028 0.000 1.265 494 Y CB -0.423 38.050 38.460 0.023 0.000 1.103 494 Y HN 0.443 nan 8.280 nan 0.000 0.522 495 G N 1.617 110.512 108.800 0.158 0.000 2.225 495 G HA2 -0.376 3.581 3.960 -0.005 0.000 0.267 495 G HA3 -0.376 3.581 3.960 -0.005 0.000 0.267 495 G C 0.852 175.847 174.900 0.158 0.000 1.024 495 G CA 0.761 45.943 45.100 0.137 0.000 0.784 495 G HN 0.579 nan 8.290 nan 0.000 0.507 496 N N -0.362 118.443 118.700 0.173 0.000 2.282 496 N HA 0.383 5.120 4.740 -0.005 0.000 0.185 496 N C 1.057 176.693 175.510 0.209 0.000 1.099 496 N CA 0.677 53.836 53.050 0.181 0.000 0.878 496 N CB 0.020 38.590 38.487 0.139 0.000 0.993 496 N HN 0.993 nan 8.380 nan 0.000 0.481 497 A N 1.021 123.941 122.820 0.167 0.000 2.511 497 A HA 0.423 4.739 4.320 -0.005 0.000 0.242 497 A C -0.438 177.324 177.584 0.296 0.000 1.069 497 A CA -0.107 52.015 52.037 0.141 0.000 0.763 497 A CB -0.579 18.489 19.000 0.114 0.000 1.001 497 A HN 0.490 nan 8.150 nan 0.000 0.498 498 F N 0.838 120.886 119.950 0.163 0.000 2.678 498 F HA 0.710 5.234 4.527 -0.004 0.000 0.308 498 F C -1.109 174.840 175.800 0.249 0.000 1.118 498 F CA -1.541 56.577 58.000 0.197 0.000 0.959 498 F CB 0.653 39.695 39.000 0.071 0.000 1.305 498 F HN 0.783 nan 8.300 nan 0.000 0.443 499 Y N -0.271 120.237 120.300 0.346 0.000 2.889 499 Y HA 0.823 5.371 4.550 -0.004 0.000 0.317 499 Y C -1.383 174.645 175.900 0.213 0.000 1.414 499 Y CA -1.792 56.424 58.100 0.194 0.000 1.091 499 Y CB 0.852 39.359 38.460 0.078 0.000 1.358 499 Y HN 0.806 nan 8.280 nan 0.000 0.487 500 S N 0.422 116.141 115.700 0.033 0.000 2.456 500 S HA 0.312 4.778 4.470 -0.005 0.000 0.316 500 S C -1.116 173.470 174.600 -0.022 0.000 1.089 500 S CA -0.592 57.563 58.200 -0.075 0.000 1.101 500 S CB 0.367 63.585 63.200 0.030 0.000 0.995 500 S HN 0.693 nan 8.310 nan 0.000 0.468 501 E N 3.926 124.040 120.200 -0.143 0.000 2.130 501 E HA 0.213 4.560 4.350 -0.005 0.000 0.284 501 E C -0.546 176.057 176.600 0.005 0.000 1.018 501 E CA -0.415 55.998 56.400 0.022 0.000 0.817 501 E CB 0.530 30.226 29.700 -0.007 0.000 1.078 501 E HN 0.478 nan 8.360 nan 0.000 0.396 502 K N 3.592 124.007 120.400 0.025 0.000 2.234 502 K HA 0.226 4.543 4.320 -0.005 0.000 0.277 502 K C -1.206 175.395 176.600 0.001 0.000 1.038 502 K CA -0.339 55.935 56.287 -0.021 0.000 0.888 502 K CB 1.197 33.656 32.500 -0.070 0.000 1.091 502 K HN 0.400 nan 8.250 nan 0.000 0.467 503 T N 3.147 117.700 114.554 -0.002 0.000 2.963 503 T HA 0.069 4.416 4.350 -0.005 0.000 0.343 503 T C -0.238 174.447 174.700 -0.026 0.000 1.146 503 T CA -0.535 61.593 62.100 0.046 0.000 1.016 503 T CB 0.843 69.784 68.868 0.123 0.000 1.046 503 T HN 0.652 nan 8.240 nan 0.000 0.496 504 T N 2.195 116.758 114.554 0.014 0.000 2.832 504 T HA 0.487 4.833 4.350 -0.005 0.000 0.296 504 T C -0.001 174.766 174.700 0.111 0.000 0.968 504 T CA -0.658 61.441 62.100 -0.002 0.000 1.107 504 T CB -0.177 68.819 68.868 0.213 0.000 0.916 504 T HN 0.211 nan 8.240 nan 0.000 0.517 505 F N 3.611 123.678 119.950 0.196 0.000 2.543 505 F HA 0.364 4.888 4.527 -0.005 0.000 0.375 505 F C 1.402 177.268 175.800 0.111 0.000 1.075 505 F CA -0.935 57.148 58.000 0.137 0.000 1.225 505 F CB 0.384 39.460 39.000 0.127 0.000 1.099 505 F HN 0.710 nan 8.300 nan 0.000 0.561 506 K N 0.326 120.894 120.400 0.280 0.000 2.244 506 K HA 0.104 4.420 4.320 -0.005 0.000 0.200 506 K C 0.558 177.241 176.600 0.139 0.000 1.052 506 K CA 0.663 57.054 56.287 0.174 0.000 0.980 506 K CB 0.392 32.973 32.500 0.134 0.000 0.838 506 K HN 0.585 nan 8.250 nan 0.000 0.481 507 T N -0.328 114.303 114.554 0.128 0.000 2.907 507 T HA 0.164 4.511 4.350 -0.005 0.000 0.292 507 T C 1.101 175.828 174.700 0.045 0.000 1.043 507 T CA -0.665 61.481 62.100 0.077 0.000 1.003 507 T CB 2.002 70.903 68.868 0.054 0.000 1.084 507 T HN -0.259 nan 8.240 nan 0.000 0.483 508 V N 3.326 123.255 119.914 0.024 0.000 2.277 508 V HA -0.224 3.893 4.120 -0.005 0.000 0.253 508 V C 2.690 178.729 176.094 -0.092 0.000 1.067 508 V CA 2.072 64.362 62.300 -0.017 0.000 1.047 508 V CB -0.504 31.319 31.823 0.000 0.000 0.649 508 V HN 0.842 nan 8.190 nan 0.000 0.447 509 K N -0.375 119.984 120.400 -0.068 0.000 2.113 509 K HA -0.270 4.046 4.320 -0.005 0.000 0.208 509 K C 1.783 178.289 176.600 -0.156 0.000 1.047 509 K CA 2.010 58.236 56.287 -0.102 0.000 0.928 509 K CB -0.304 32.167 32.500 -0.049 0.000 0.716 509 K HN 0.547 nan 8.250 nan 0.000 0.446 510 D N -0.130 120.196 120.400 -0.124 0.000 2.219 510 D HA -0.115 4.522 4.640 -0.005 0.000 0.205 510 D C 1.922 177.870 176.300 -0.587 0.000 0.970 510 D CA 1.447 55.364 54.000 -0.138 0.000 0.851 510 D CB -0.033 40.826 40.800 0.099 0.000 0.943 510 D HN 0.350 nan 8.370 nan 0.000 0.488 511 S N 0.225 115.408 115.700 -0.862 0.000 2.461 511 S HA -0.027 4.439 4.470 -0.005 0.000 0.228 511 S C 1.358 175.468 174.600 -0.817 0.000 1.005 511 S CA -0.101 57.166 58.200 -1.556 0.000 0.942 511 S CB -0.527 62.167 63.200 -0.842 0.000 0.776 511 S HN 0.174 nan 8.310 nan 0.000 0.514 512 L N 3.930 124.821 121.223 -0.554 0.000 2.583 512 L HA 0.188 4.524 4.340 -0.005 0.000 0.280 512 L C 0.377 177.015 176.870 -0.386 0.000 1.261 512 L CA -0.146 54.324 54.840 -0.616 0.000 1.164 512 L CB -1.381 40.148 42.059 -0.883 0.000 1.402 512 L HN 0.423 nan 8.230 nan 0.000 0.443 513 T N -1.439 113.064 114.554 -0.086 0.000 2.916 513 T HA 0.546 4.892 4.350 -0.005 0.000 0.292 513 T C -0.228 174.731 174.700 0.432 0.000 1.055 513 T CA -1.074 61.166 62.100 0.234 0.000 1.009 513 T CB 2.549 71.670 68.868 0.422 0.000 1.118 513 T HN 0.190 nan 8.240 nan 0.000 0.497 514 N N -0.133 118.844 118.700 0.463 0.000 2.362 514 N HA 0.340 5.077 4.740 -0.005 0.000 0.299 514 N C -1.426 174.451 175.510 0.612 0.000 1.170 514 N CA -0.625 52.724 53.050 0.499 0.000 0.825 514 N CB 1.549 40.221 38.487 0.309 0.000 1.299 514 N HN 0.770 nan 8.380 nan 0.000 0.502 515 Y N 1.113 121.765 120.300 0.588 0.000 2.511 515 Y HA 0.057 4.604 4.550 -0.006 0.000 0.332 515 Y C -0.243 175.785 175.900 0.213 0.000 1.177 515 Y CA 0.420 58.800 58.100 0.466 0.000 1.422 515 Y CB 0.515 39.284 38.460 0.515 0.000 1.271 515 Y HN 0.286 nan 8.280 nan 0.000 0.550 516 E N 3.820 123.522 120.200 -0.829 0.000 2.218 516 E HA 0.155 4.501 4.350 -0.005 0.000 0.263 516 E C 0.379 176.462 176.600 -0.861 0.000 0.879 516 E CA -0.060 55.972 56.400 -0.612 0.000 0.762 516 E CB 1.710 31.232 29.700 -0.296 0.000 1.166 516 E HN 0.816 nan 8.360 nan 0.000 0.415 517 S N 1.809 117.181 115.700 -0.546 0.000 2.383 517 S HA -0.150 4.317 4.470 -0.005 0.000 0.227 517 S C 1.928 176.416 174.600 -0.187 0.000 1.026 517 S CA 0.863 58.893 58.200 -0.283 0.000 0.981 517 S CB -0.164 63.015 63.200 -0.036 0.000 0.818 517 S HN 0.527 nan 8.310 nan 0.000 0.472 518 A N 1.942 124.661 122.820 -0.167 0.000 2.032 518 A HA -0.078 4.239 4.320 -0.005 0.000 0.221 518 A C 2.246 179.746 177.584 -0.139 0.000 1.165 518 A CA 1.976 53.940 52.037 -0.122 0.000 0.645 518 A CB -1.049 17.893 19.000 -0.097 0.000 0.807 518 A HN 0.797 nan 8.150 nan 0.000 0.453 519 T N -5.510 108.934 114.554 -0.183 0.000 3.170 519 T HA 0.444 4.790 4.350 -0.005 0.000 0.288 519 T C 1.014 175.611 174.700 -0.171 0.000 0.992 519 T CA 0.878 62.872 62.100 -0.176 0.000 0.909 519 T CB -0.089 68.674 68.868 -0.174 0.000 1.133 519 T HN 1.684 nan 8.240 nan 0.000 0.530 520 G N 2.819 111.528 108.800 -0.152 0.000 2.395 520 G HA2 -0.348 3.609 3.960 -0.005 0.000 0.300 520 G HA3 -0.348 3.609 3.960 -0.005 0.000 0.300 520 G C 0.034 174.915 174.900 -0.033 0.000 0.998 520 G CA 0.355 45.434 45.100 -0.035 0.000 1.046 520 G HN 0.961 nan 8.290 nan 0.000 0.513 521 R N -0.027 120.374 120.500 -0.164 0.000 2.585 521 R HA 0.402 4.739 4.340 -0.005 0.000 0.275 521 R C 0.774 176.943 176.300 -0.219 0.000 1.018 521 R CA 0.764 56.705 56.100 -0.264 0.000 1.072 521 R CB 0.301 30.320 30.300 -0.467 0.000 0.953 521 R HN 0.681 nan 8.270 nan 0.000 0.419 522 S N 3.615 119.093 115.700 -0.370 0.000 2.661 522 S HA 0.602 5.069 4.470 -0.005 0.000 0.285 522 S C -1.255 173.176 174.600 -0.282 0.000 1.138 522 S CA -1.032 57.049 58.200 -0.198 0.000 0.855 522 S CB 1.364 64.572 63.200 0.015 0.000 1.136 522 S HN 0.636 nan 8.310 nan 0.000 0.484 523 W N 0.619 122.032 121.300 0.188 0.000 2.785 523 W HA 0.435 5.092 4.660 -0.005 0.000 0.333 523 W C -1.367 175.263 176.519 0.185 0.000 1.062 523 W CA -0.460 57.032 57.345 0.245 0.000 1.233 523 W CB 2.113 31.845 29.460 0.454 0.000 1.413 523 W HN 0.625 nan 8.180 nan 0.000 0.489 524 D N 2.203 122.844 120.400 0.402 0.000 2.185 524 D HA 0.525 5.161 4.640 -0.005 0.000 0.247 524 D C -0.421 176.132 176.300 0.422 0.000 1.027 524 D CA -0.360 53.852 54.000 0.353 0.000 0.861 524 D CB 2.233 43.215 40.800 0.305 0.000 1.202 524 D HN 0.098 nan 8.370 nan 0.000 0.453 525 I N 3.169 123.935 120.570 0.327 0.000 2.382 525 I HA 0.399 4.565 4.170 -0.005 0.000 0.286 525 I C -0.628 175.658 176.117 0.282 0.000 1.002 525 I CA -0.871 60.555 61.300 0.210 0.000 1.135 525 I CB 0.455 38.522 38.000 0.110 0.000 1.288 525 I HN 0.238 nan 8.210 nan 0.000 0.448 526 F N 3.310 123.342 119.950 0.138 0.000 2.675 526 F HA 0.522 5.046 4.527 -0.005 0.000 0.324 526 F C -0.827 175.029 175.800 0.093 0.000 1.106 526 F CA -1.353 56.719 58.000 0.119 0.000 0.970 526 F CB 1.407 40.456 39.000 0.081 0.000 1.385 526 F HN 0.250 nan 8.300 nan 0.000 0.489 527 N N 2.075 120.930 118.700 0.258 0.000 2.609 527 N HA 0.378 5.114 4.740 -0.005 0.000 0.234 527 N C -2.023 173.631 175.510 0.239 0.000 1.001 527 N CA -2.165 50.965 53.050 0.134 0.000 0.926 527 N CB 1.268 39.805 38.487 0.084 0.000 1.130 527 N HN 0.358 nan 8.380 nan 0.000 0.510 528 P HA -0.088 nan 4.420 nan 0.000 0.230 528 P C -0.065 177.311 177.300 0.127 0.000 1.158 528 P CA 0.940 64.204 63.100 0.274 0.000 0.769 528 P CB 0.280 32.135 31.700 0.259 0.000 0.807 529 N N -0.093 118.654 118.700 0.078 0.000 2.461 529 N HA 0.039 4.776 4.740 -0.005 0.000 0.188 529 N C 0.470 175.992 175.510 0.020 0.000 1.134 529 N CA 0.603 53.677 53.050 0.039 0.000 0.878 529 N CB 0.373 38.872 38.487 0.021 0.000 0.972 529 N HN 0.354 nan 8.380 nan 0.000 0.456 530 K N 0.129 120.543 120.400 0.024 0.000 2.443 530 K HA 0.595 4.912 4.320 -0.005 0.000 0.251 530 K C -1.079 175.512 176.600 -0.015 0.000 0.972 530 K CA -0.703 55.577 56.287 -0.012 0.000 0.833 530 K CB 3.050 35.522 32.500 -0.046 0.000 1.317 530 K HN -0.305 nan 8.250 nan 0.000 0.441 531 V N 0.904 120.795 119.914 -0.038 0.000 2.709 531 V HA 0.287 4.404 4.120 -0.005 0.000 0.308 531 V C -0.539 175.522 176.094 -0.055 0.000 1.062 531 V CA -1.176 61.100 62.300 -0.041 0.000 0.901 531 V CB 1.757 33.562 31.823 -0.030 0.000 1.003 531 V HN 0.763 nan 8.190 nan 0.000 0.425 532 N N 5.702 124.379 118.700 -0.039 0.000 2.475 532 N HA 0.161 4.898 4.740 -0.005 0.000 0.267 532 N C -1.442 174.053 175.510 -0.026 0.000 1.169 532 N CA -1.326 51.700 53.050 -0.039 0.000 0.947 532 N CB 2.070 40.590 38.487 0.055 0.000 1.061 532 N HN 0.408 nan 8.380 nan 0.000 0.466 533 P HA -0.130 nan 4.420 nan 0.000 0.223 533 P C 0.481 177.854 177.300 0.123 0.000 1.144 533 P CA 1.245 64.319 63.100 -0.043 0.000 0.783 533 P CB 0.166 31.778 31.700 -0.145 0.000 0.771 534 Y N 0.759 121.068 120.300 0.014 0.000 2.265 534 Y HA 0.006 4.553 4.550 -0.005 0.000 0.290 534 Y C 2.935 178.852 175.900 0.029 0.000 1.137 534 Y CA 0.904 59.014 58.100 0.017 0.000 1.147 534 Y CB -1.347 37.123 38.460 0.017 0.000 1.104 534 Y HN 0.047 nan 8.280 nan 0.000 0.514 535 S N -0.859 114.992 115.700 0.252 0.000 2.436 535 S HA 0.139 4.606 4.470 -0.005 0.000 0.228 535 S C 1.921 176.574 174.600 0.088 0.000 1.014 535 S CA 1.011 59.327 58.200 0.194 0.000 0.950 535 S CB -0.372 63.053 63.200 0.375 0.000 0.784 535 S HN 0.675 nan 8.310 nan 0.000 0.504 536 G N 0.771 109.607 108.800 0.060 0.000 2.176 536 G HA2 -0.204 3.753 3.960 -0.005 0.000 0.253 536 G HA3 -0.204 3.753 3.960 -0.005 0.000 0.253 536 G C 0.007 174.866 174.900 -0.068 0.000 0.979 536 G CA 0.381 45.479 45.100 -0.002 0.000 0.641 536 G HN 0.540 nan 8.290 nan 0.000 0.530 537 K N 1.040 121.364 120.400 -0.126 0.000 2.087 537 K HA 0.567 4.884 4.320 -0.005 0.000 0.255 537 K C -2.171 174.327 176.600 -0.169 0.000 0.988 537 K CA -2.391 53.728 56.287 -0.280 0.000 0.915 537 K CB 1.143 33.183 32.500 -0.766 0.000 1.043 537 K HN 0.172 nan 8.250 nan 0.000 0.457 538 P HA 0.191 nan 4.420 nan 0.000 0.274 538 P C -2.524 174.792 177.300 0.026 0.000 1.237 538 P CA -1.450 61.629 63.100 -0.035 0.000 0.793 538 P CB -0.237 31.488 31.700 0.041 0.000 0.977 539 P HA 0.095 nan 4.420 nan 0.000 0.275 539 P C -0.344 177.111 177.300 0.258 0.000 1.227 539 P CA 0.315 63.449 63.100 0.056 0.000 0.781 539 P CB 0.636 32.209 31.700 -0.210 0.000 0.906 540 S N 1.673 117.588 115.700 0.359 0.000 2.611 540 S HA 0.552 5.018 4.470 -0.005 0.000 0.268 540 S C -1.932 172.824 174.600 0.260 0.000 1.156 540 S CA -0.675 57.751 58.200 0.377 0.000 0.817 540 S CB 0.955 64.352 63.200 0.328 0.000 1.122 540 S HN 0.274 nan 8.310 nan 0.000 0.466 541 Y N 0.968 121.346 120.300 0.130 0.000 2.350 541 Y HA 0.605 5.152 4.550 -0.005 0.000 0.338 541 Y C 0.006 175.965 175.900 0.100 0.000 0.961 541 Y CA -0.481 57.646 58.100 0.045 0.000 1.100 541 Y CB 1.990 40.441 38.460 -0.015 0.000 1.179 541 Y HN 0.861 nan 8.280 nan 0.000 0.454 542 K N 4.615 125.068 120.400 0.088 0.000 2.213 542 K HA 0.426 4.743 4.320 -0.005 0.000 0.270 542 K C -1.333 175.333 176.600 0.110 0.000 1.002 542 K CA -0.889 55.468 56.287 0.118 0.000 0.868 542 K CB 0.806 33.352 32.500 0.077 0.000 1.093 542 K HN 0.641 nan 8.250 nan 0.000 0.454 543 L N 5.973 127.277 121.223 0.134 0.000 2.325 543 L HA 0.192 4.528 4.340 -0.005 0.000 0.284 543 L C -1.215 175.748 176.870 0.155 0.000 1.089 543 L CA 0.099 54.984 54.840 0.076 0.000 0.836 543 L CB 0.967 43.027 42.059 0.001 0.000 1.184 543 L HN 0.384 nan 8.230 nan 0.000 0.444 544 V N 5.195 125.146 119.914 0.062 0.000 2.259 544 V HA 0.427 4.543 4.120 -0.005 0.000 0.267 544 V C 0.148 176.249 176.094 0.012 0.000 1.051 544 V CA -0.152 62.184 62.300 0.061 0.000 0.830 544 V CB 0.537 32.375 31.823 0.025 0.000 1.080 544 V HN 0.851 nan 8.190 nan 0.000 0.467 545 S N 2.731 118.469 115.700 0.064 0.000 2.532 545 S HA 0.580 5.047 4.470 -0.005 0.000 0.299 545 S C 0.459 175.002 174.600 -0.095 0.000 1.105 545 S CA -0.212 58.003 58.200 0.025 0.000 1.018 545 S CB 2.191 65.464 63.200 0.121 0.000 1.021 545 S HN 0.612 nan 8.310 nan 0.000 0.483 546 T N 2.964 117.406 114.554 -0.186 0.000 2.969 546 T HA 0.238 4.585 4.350 -0.005 0.000 0.258 546 T C 0.064 174.653 174.700 -0.185 0.000 0.962 546 T CA 0.174 61.998 62.100 -0.460 0.000 0.903 546 T CB 0.138 68.834 68.868 -0.286 0.000 1.177 546 T HN 0.652 nan 8.240 nan 0.000 0.511 547 Q N 1.282 121.086 119.800 0.007 0.000 3.006 547 Q HA 0.275 4.612 4.340 -0.005 0.000 0.260 547 Q C -0.888 175.235 176.000 0.205 0.000 1.356 547 Q CA -0.275 55.596 55.803 0.113 0.000 1.070 547 Q CB -0.280 28.541 28.738 0.139 0.000 1.507 547 Q HN 0.337 nan 8.270 nan 0.000 0.568 548 C N 2.844 122.260 119.300 0.193 0.000 2.439 548 C HA 0.365 4.822 4.460 -0.005 0.000 0.298 548 C C -2.062 173.068 174.990 0.234 0.000 1.094 548 C CA -1.966 57.203 59.018 0.253 0.000 1.609 548 C CB -0.854 27.106 27.740 0.368 0.000 1.723 548 C HN 0.525 nan 8.230 nan 0.000 0.423 549 P HA 0.268 nan 4.420 nan 0.000 0.271 549 P C -2.272 175.086 177.300 0.096 0.000 1.216 549 P CA -0.800 62.376 63.100 0.127 0.000 0.776 549 P CB 0.076 31.826 31.700 0.084 0.000 0.881 550 P HA 0.131 nan 4.420 nan 0.000 0.278 550 P C -0.625 176.665 177.300 -0.016 0.000 1.238 550 P CA -0.519 62.604 63.100 0.039 0.000 0.794 550 P CB 0.599 32.327 31.700 0.046 0.000 0.955 551 L N 3.463 124.643 121.223 -0.072 0.000 2.530 551 L HA 0.024 4.361 4.340 -0.005 0.000 0.273 551 L C 1.080 177.894 176.870 -0.094 0.000 1.141 551 L CA 0.440 55.209 54.840 -0.118 0.000 0.905 551 L CB -0.738 41.206 42.059 -0.192 0.000 1.202 551 L HN 0.317 nan 8.230 nan 0.000 0.473 552 L N 4.971 126.149 121.223 -0.075 0.000 2.376 552 L HA 0.098 4.435 4.340 -0.005 0.000 0.219 552 L C 1.387 178.214 176.870 -0.072 0.000 1.133 552 L CA 0.378 55.189 54.840 -0.048 0.000 0.816 552 L CB -0.574 41.477 42.059 -0.015 0.000 0.933 552 L HN 0.828 nan 8.230 nan 0.000 0.449 553 A N 0.547 123.299 122.820 -0.113 0.000 2.450 553 A HA 0.210 4.526 4.320 -0.005 0.000 0.255 553 A C 0.313 177.818 177.584 -0.131 0.000 1.096 553 A CA -0.280 51.676 52.037 -0.134 0.000 0.778 553 A CB 0.150 19.043 19.000 -0.178 0.000 1.031 553 A HN 0.047 nan 8.150 nan 0.000 0.494 554 K N 1.449 121.779 120.400 -0.117 0.000 2.344 554 K HA 0.084 4.400 4.320 -0.005 0.000 0.260 554 K C 0.293 176.817 176.600 -0.127 0.000 0.988 554 K CA 0.562 56.786 56.287 -0.105 0.000 0.909 554 K CB 0.287 32.732 32.500 -0.091 0.000 0.968 554 K HN 0.776 nan 8.250 nan 0.000 0.505 555 E N 0.261 120.393 120.200 -0.113 0.000 2.373 555 E HA 0.206 4.553 4.350 -0.005 0.000 0.267 555 E C 0.737 177.262 176.600 -0.125 0.000 1.032 555 E CA 0.328 56.653 56.400 -0.125 0.000 0.889 555 E CB 0.480 30.119 29.700 -0.101 0.000 0.984 555 E HN 0.752 nan 8.360 nan 0.000 0.425 556 G N 2.271 110.982 108.800 -0.147 0.000 2.176 556 G HA2 -0.329 3.627 3.960 -0.005 0.000 0.253 556 G HA3 -0.329 3.627 3.960 -0.005 0.000 0.253 556 G C 0.368 175.167 174.900 -0.168 0.000 0.979 556 G CA 0.359 45.371 45.100 -0.148 0.000 0.641 556 G HN 0.671 nan 8.290 nan 0.000 0.530 557 S N -0.518 115.072 115.700 -0.184 0.000 2.632 557 S HA 0.676 5.143 4.470 -0.005 0.000 0.267 557 S C 1.597 176.041 174.600 -0.260 0.000 1.276 557 S CA -0.143 57.938 58.200 -0.198 0.000 0.998 557 S CB 1.743 64.825 63.200 -0.198 0.000 0.953 557 S HN 0.361 nan 8.310 nan 0.000 0.547 558 L N 0.949 122.008 121.223 -0.274 0.000 1.990 558 L HA -0.141 4.196 4.340 -0.005 0.000 0.213 558 L C 2.600 179.199 176.870 -0.451 0.000 1.072 558 L CA 1.510 56.139 54.840 -0.352 0.000 0.755 558 L CB -0.655 41.217 42.059 -0.311 0.000 0.889 558 L HN 0.682 nan 8.230 nan 0.000 0.432 559 V N -0.090 119.531 119.914 -0.488 0.000 2.231 559 V HA -0.367 3.750 4.120 -0.005 0.000 0.248 559 V C 2.703 178.575 176.094 -0.370 0.000 1.054 559 V CA 2.020 64.049 62.300 -0.452 0.000 1.015 559 V CB -1.013 30.594 31.823 -0.360 0.000 0.638 559 V HN 0.572 nan 8.190 nan 0.000 0.444 560 A N -0.681 121.942 122.820 -0.328 0.000 1.940 560 A HA -0.235 4.082 4.320 -0.005 0.000 0.219 560 A C 2.301 179.689 177.584 -0.326 0.000 1.176 560 A CA 1.942 53.790 52.037 -0.314 0.000 0.631 560 A CB -0.412 18.437 19.000 -0.253 0.000 0.814 560 A HN 0.553 nan 8.150 nan 0.000 0.446 561 K N -0.638 119.553 120.400 -0.349 0.000 2.031 561 K HA -0.064 4.253 4.320 -0.005 0.000 0.205 561 K C 2.100 178.393 176.600 -0.511 0.000 1.049 561 K CA 1.275 57.321 56.287 -0.403 0.000 0.939 561 K CB -0.186 32.041 32.500 -0.455 0.000 0.717 561 K HN 0.436 nan 8.250 nan 0.000 0.438 562 R N 0.250 120.443 120.500 -0.512 0.000 2.236 562 R HA 0.052 4.389 4.340 -0.005 0.000 0.208 562 R C 0.720 176.952 176.300 -0.113 0.000 1.036 562 R CA 0.571 56.423 56.100 -0.413 0.000 1.001 562 R CB 0.221 30.373 30.300 -0.247 0.000 0.896 562 R HN 0.002 nan 8.270 nan 0.000 0.464 563 A N 1.691 124.333 122.820 -0.297 0.000 3.165 563 A HA 0.293 4.610 4.320 -0.005 0.000 0.331 563 A C -1.953 175.198 177.584 -0.721 0.000 1.034 563 A CA -1.305 50.383 52.037 -0.583 0.000 0.906 563 A CB 0.482 18.986 19.000 -0.827 0.000 1.054 563 A HN -0.074 nan 8.150 nan 0.000 0.484 564 P HA -0.190 nan 4.420 nan 0.000 0.217 564 P C 1.388 178.565 177.300 -0.205 0.000 1.148 564 P CA 1.263 64.225 63.100 -0.230 0.000 0.828 564 P CB -0.224 31.427 31.700 -0.083 0.000 0.783 565 W N -0.059 121.194 121.300 -0.077 0.000 2.519 565 W HA 0.268 4.925 4.660 -0.006 0.000 0.266 565 W C 1.569 178.084 176.519 -0.007 0.000 1.253 565 W CA 0.569 57.889 57.345 -0.043 0.000 1.274 565 W CB -1.697 27.735 29.460 -0.048 0.000 1.114 565 W HN -0.088 nan 8.180 nan 0.000 0.596 566 A N 1.421 123.825 122.820 -0.693 0.000 2.168 566 A HA -0.060 4.257 4.320 -0.005 0.000 0.215 566 A C 2.015 179.426 177.584 -0.288 0.000 1.152 566 A CA 1.482 53.183 52.037 -0.561 0.000 0.716 566 A CB -0.772 17.609 19.000 -1.031 0.000 0.794 566 A HN 0.249 nan 8.150 nan 0.000 0.465 567 S N -0.611 114.911 115.700 -0.297 0.000 2.522 567 S HA 0.039 4.505 4.470 -0.005 0.000 0.227 567 S C 0.202 174.487 174.600 -0.524 0.000 0.986 567 S CA 0.361 58.330 58.200 -0.385 0.000 0.929 567 S CB -0.274 62.660 63.200 -0.444 0.000 0.769 567 S HN 0.771 nan 8.310 nan 0.000 0.529 568 H N -0.687 118.385 119.070 0.002 0.000 2.717 568 H HA 0.433 4.986 4.556 -0.005 0.000 0.366 568 H C 0.524 175.904 175.328 0.086 0.000 1.132 568 H CA -0.511 55.566 56.048 0.049 0.000 1.180 568 H CB 1.589 31.364 29.762 0.022 0.000 1.678 568 H HN -0.104 nan 8.280 nan 0.000 0.537 569 S N 0.814 116.666 115.700 0.254 0.000 2.402 569 S HA 0.007 4.474 4.470 -0.005 0.000 0.229 569 S C 0.442 175.092 174.600 0.085 0.000 1.021 569 S CA 0.633 58.949 58.200 0.194 0.000 0.974 569 S CB 0.284 63.706 63.200 0.369 0.000 0.800 569 S HN 0.252 nan 8.310 nan 0.000 0.484 570 V N 2.341 122.264 119.914 0.015 0.000 2.760 570 V HA 0.431 4.548 4.120 -0.005 0.000 0.309 570 V C -1.110 174.874 176.094 -0.183 0.000 1.077 570 V CA -0.975 61.184 62.300 -0.235 0.000 0.910 570 V CB 2.134 33.587 31.823 -0.616 0.000 1.008 570 V HN 0.228 nan 8.190 nan 0.000 0.424 571 N N 2.879 121.465 118.700 -0.189 0.000 2.480 571 N HA 0.519 5.255 4.740 -0.005 0.000 0.289 571 N C -1.496 173.960 175.510 -0.090 0.000 1.073 571 N CA -0.285 52.707 53.050 -0.097 0.000 0.885 571 N CB 2.685 41.214 38.487 0.070 0.000 1.421 571 N HN 0.341 nan 8.380 nan 0.000 0.503 572 V N 2.283 122.125 119.914 -0.121 0.000 2.409 572 V HA 0.487 4.604 4.120 -0.005 0.000 0.291 572 V C 0.289 176.433 176.094 0.083 0.000 1.020 572 V CA -0.737 61.569 62.300 0.011 0.000 0.848 572 V CB 1.518 33.368 31.823 0.044 0.000 0.990 572 V HN 0.467 nan 8.190 nan 0.000 0.430 573 V N 3.512 123.520 119.914 0.158 0.000 3.074 573 V HA 0.802 4.919 4.120 -0.005 0.000 0.314 573 V C -2.879 173.276 176.094 0.102 0.000 1.117 573 V CA -3.063 59.310 62.300 0.121 0.000 1.014 573 V CB 2.184 34.093 31.823 0.143 0.000 1.057 573 V HN 0.606 nan 8.190 nan 0.000 0.438 574 P HA 0.182 nan 4.420 nan 0.000 0.269 574 P C -1.208 176.095 177.300 0.005 0.000 1.209 574 P CA 0.214 63.344 63.100 0.051 0.000 0.776 574 P CB 0.041 31.759 31.700 0.029 0.000 0.876 575 Y N 2.999 123.268 120.300 -0.053 0.000 2.336 575 Y HA 0.359 4.905 4.550 -0.005 0.000 0.331 575 Y C 0.171 175.996 175.900 -0.125 0.000 1.211 575 Y CA 0.451 58.491 58.100 -0.099 0.000 1.346 575 Y CB 0.696 39.111 38.460 -0.076 0.000 1.271 575 Y HN 0.257 nan 8.280 nan 0.000 0.538 576 K N 3.852 123.510 120.400 -1.237 0.000 2.543 576 K HA 0.200 4.517 4.320 -0.005 0.000 0.255 576 K C -1.808 174.095 176.600 -1.162 0.000 0.934 576 K CA -0.734 55.040 56.287 -0.855 0.000 0.810 576 K CB 1.168 33.367 32.500 -0.502 0.000 1.315 576 K HN 0.632 nan 8.250 nan 0.000 0.433 577 D N 2.747 122.777 120.400 -0.616 0.000 2.488 577 D HA 0.000 4.637 4.640 -0.005 0.000 0.238 577 D C -0.041 176.050 176.300 -0.348 0.000 1.138 577 D CA 1.131 54.924 54.000 -0.344 0.000 0.873 577 D CB 0.416 41.171 40.800 -0.074 0.000 1.183 577 D HN 0.589 nan 8.370 nan 0.000 0.458 578 N N 1.629 120.150 118.700 -0.298 0.000 2.818 578 N HA -0.217 4.520 4.740 -0.005 0.000 0.250 578 N C -0.487 174.805 175.510 -0.363 0.000 1.108 578 N CA 0.453 53.331 53.050 -0.286 0.000 0.745 578 N CB -0.807 37.555 38.487 -0.208 0.000 1.104 578 N HN 0.467 nan 8.380 nan 0.000 0.557 579 R N 0.835 121.010 120.500 -0.541 0.000 2.755 579 R HA 0.364 4.701 4.340 -0.005 0.000 0.268 579 R C 1.246 177.189 176.300 -0.595 0.000 1.295 579 R CA -0.162 55.452 56.100 -0.810 0.000 1.379 579 R CB 0.421 29.928 30.300 -1.321 0.000 1.170 579 R HN 0.190 nan 8.270 nan 0.000 0.584 580 L N 0.962 121.939 121.223 -0.410 0.000 2.435 580 L HA 0.233 4.569 4.340 -0.005 0.000 0.195 580 L C -0.160 176.534 176.870 -0.293 0.000 1.072 580 L CA 0.275 54.798 54.840 -0.527 0.000 0.833 580 L CB 0.121 41.479 42.059 -1.168 0.000 1.081 580 L HN 0.354 nan 8.230 nan 0.000 0.485 581 Y N 1.649 122.101 120.300 0.253 0.000 2.404 581 Y HA 0.249 4.796 4.550 -0.005 0.000 0.344 581 Y C -1.545 174.434 175.900 0.132 0.000 0.970 581 Y CA -3.330 54.862 58.100 0.153 0.000 1.180 581 Y CB -0.157 38.295 38.460 -0.014 0.000 1.138 581 Y HN -0.028 nan 8.280 nan 0.000 0.510 582 P HA -0.093 nan 4.420 nan 0.000 0.225 582 P C 0.671 177.899 177.300 -0.121 0.000 1.148 582 P CA 1.092 64.002 63.100 -0.315 0.000 0.779 582 P CB 0.528 32.010 31.700 -0.364 0.000 0.780 583 S N -1.067 114.678 115.700 0.074 0.000 2.568 583 S HA 0.481 4.948 4.470 -0.005 0.000 0.232 583 S C 0.770 175.340 174.600 -0.051 0.000 0.975 583 S CA 0.322 58.639 58.200 0.196 0.000 0.949 583 S CB -0.112 63.313 63.200 0.374 0.000 0.829 583 S HN 0.501 nan 8.310 nan 0.000 0.479 584 G N 1.255 109.949 108.800 -0.176 0.000 2.629 584 G HA2 -0.128 3.829 3.960 -0.005 0.000 0.686 584 G HA3 -0.128 3.829 3.960 -0.005 0.000 0.686 584 G C -0.427 174.393 174.900 -0.134 0.000 1.232 584 G CA -0.496 44.438 45.100 -0.278 0.000 0.803 584 G HN 0.165 nan 8.290 nan 0.000 0.638 585 D N -0.051 120.238 120.400 -0.184 0.000 2.144 585 D HA 0.029 4.666 4.640 -0.005 0.000 0.200 585 D C 0.860 176.835 176.300 -0.543 0.000 0.978 585 D CA 1.430 55.257 54.000 -0.288 0.000 0.833 585 D CB 0.018 40.602 40.800 -0.361 0.000 0.961 585 D HN 0.481 nan 8.370 nan 0.000 0.470 586 H N 0.213 119.256 119.070 -0.045 0.000 2.736 586 H HA 0.245 4.797 4.556 -0.005 0.000 0.271 586 H C 0.966 176.280 175.328 -0.023 0.000 1.184 586 H CA -0.313 55.721 56.048 -0.023 0.000 1.378 586 H CB 1.292 31.049 29.762 -0.009 0.000 1.428 586 H HN -0.194 nan 8.280 nan 0.000 0.500 587 V N 3.507 123.460 119.914 0.066 0.000 2.407 587 V HA -0.043 4.074 4.120 -0.005 0.000 0.245 587 V C -1.559 174.636 176.094 0.169 0.000 1.041 587 V CA 0.644 63.014 62.300 0.116 0.000 1.040 587 V CB -1.039 30.819 31.823 0.059 0.000 0.671 587 V HN 0.452 nan 8.190 nan 0.000 0.455 588 P HA 0.027 nan 4.420 nan 0.000 0.264 588 P C 0.330 177.745 177.300 0.191 0.000 1.183 588 P CA 0.704 63.867 63.100 0.105 0.000 0.763 588 P CB 0.073 31.803 31.700 0.050 0.000 0.807 589 Q N -2.073 117.864 119.800 0.229 0.000 2.348 589 Q HA -0.237 4.099 4.340 -0.005 0.000 0.221 589 Q C -0.301 175.964 176.000 0.442 0.000 0.735 589 Q CA 0.597 56.602 55.803 0.336 0.000 1.351 589 Q CB -1.624 27.257 28.738 0.238 0.000 1.640 589 Q HN 0.558 nan 8.270 nan 0.000 0.667 590 W N 1.456 122.837 121.300 0.135 0.000 2.216 590 W HA 0.294 4.950 4.660 -0.006 0.000 0.326 590 W C 1.235 177.658 176.519 -0.160 0.000 1.319 590 W CA -0.038 57.326 57.345 0.031 0.000 1.213 590 W CB 0.553 30.011 29.460 -0.003 0.000 1.171 590 W HN 0.102 nan 8.180 nan 0.000 0.557 591 S N 3.349 118.638 115.700 -0.685 0.000 2.461 591 S HA 0.150 4.616 4.470 -0.005 0.000 0.228 591 S C 1.524 175.296 174.600 -1.379 0.000 1.005 591 S CA 0.938 58.313 58.200 -1.374 0.000 0.942 591 S CB -0.277 62.383 63.200 -0.901 0.000 0.776 591 S HN 1.682 nan 8.310 nan 0.000 0.514 592 G N 0.595 108.103 108.800 -2.153 0.000 2.201 592 G HA2 -0.141 3.815 3.960 -0.005 0.000 0.212 592 G HA3 -0.141 3.815 3.960 -0.005 0.000 0.212 592 G C -0.483 173.865 174.900 -0.920 0.000 0.994 592 G CA -0.011 43.928 45.100 -1.936 0.000 0.644 592 G HN 0.549 nan 8.290 nan 0.000 0.508 593 D N 1.276 121.369 120.400 -0.512 0.000 2.256 593 D HA 0.541 5.178 4.640 -0.005 0.000 0.250 593 D C 0.723 177.184 176.300 0.268 0.000 1.093 593 D CA 1.439 55.391 54.000 -0.079 0.000 0.882 593 D CB 1.432 42.188 40.800 -0.073 0.000 1.185 593 D HN 1.366 nan 8.370 nan 0.000 0.437 594 G N 0.170 109.094 108.800 0.208 0.000 2.428 594 G HA2 -0.090 3.866 3.960 -0.005 0.000 0.681 594 G HA3 -0.090 3.866 3.960 -0.005 0.000 0.681 594 G C -0.976 174.016 174.900 0.155 0.000 1.340 594 G CA -1.003 44.218 45.100 0.202 0.000 0.915 594 G HN 0.347 nan 8.290 nan 0.000 0.645 595 V N 2.547 122.486 119.914 0.042 0.000 2.299 595 V HA 0.625 4.742 4.120 -0.005 0.000 0.255 595 V C 0.795 176.828 176.094 -0.102 0.000 1.100 595 V CA 0.560 62.848 62.300 -0.020 0.000 0.938 595 V CB -0.358 31.454 31.823 -0.019 0.000 1.139 595 V HN 1.002 nan 8.190 nan 0.000 0.490 596 R N 2.707 123.092 120.500 -0.192 0.000 2.752 596 R HA 0.843 5.179 4.340 -0.005 0.000 0.271 596 R C 0.392 176.390 176.300 -0.502 0.000 1.026 596 R CA -0.213 55.683 56.100 -0.341 0.000 0.901 596 R CB 1.218 31.229 30.300 -0.482 0.000 1.243 596 R HN 0.777 nan 8.270 nan 0.000 0.463 597 G N 1.088 109.485 108.800 -0.672 0.000 2.564 597 G HA2 -0.419 3.537 3.960 -0.005 0.000 0.273 597 G HA3 -0.419 3.537 3.960 -0.005 0.000 0.273 597 G C 0.528 174.327 174.900 -1.834 0.000 1.242 597 G CA 0.743 45.161 45.100 -1.137 0.000 0.951 597 G HN 0.788 nan 8.290 nan 0.000 0.564 598 M N 0.333 119.098 119.600 -1.392 0.000 2.106 598 M HA -0.063 4.414 4.480 -0.005 0.000 0.259 598 M C 2.478 178.493 176.300 -0.475 0.000 1.068 598 M CA 2.981 57.751 55.300 -0.883 0.000 1.100 598 M CB -0.529 31.856 32.600 -0.358 0.000 1.351 598 M HN 0.640 nan 8.290 nan 0.000 0.404 599 R N -0.436 119.862 120.500 -0.337 0.000 2.127 599 R HA -0.216 4.121 4.340 -0.005 0.000 0.238 599 R C 2.218 178.417 176.300 -0.168 0.000 1.134 599 R CA 2.037 58.034 56.100 -0.172 0.000 0.975 599 R CB -0.371 29.879 30.300 -0.083 0.000 0.865 599 R HN 0.694 nan 8.270 nan 0.000 0.447 600 E N -0.689 119.337 120.200 -0.290 0.000 2.112 600 E HA -0.149 4.197 4.350 -0.005 0.000 0.190 600 E C 1.297 177.908 176.600 0.017 0.000 0.979 600 E CA 0.787 57.096 56.400 -0.151 0.000 0.814 600 E CB -0.011 29.584 29.700 -0.175 0.000 0.762 600 E HN 0.405 nan 8.360 nan 0.000 0.460 601 W N 0.650 121.897 121.300 -0.088 0.000 2.436 601 W HA 0.021 4.678 4.660 -0.006 0.000 0.284 601 W C 2.018 178.495 176.519 -0.071 0.000 1.225 601 W CA 0.127 57.416 57.345 -0.094 0.000 1.271 601 W CB -0.773 28.603 29.460 -0.140 0.000 1.114 601 W HN 0.136 nan 8.180 nan 0.000 0.559 602 I N 0.008 120.643 120.570 0.108 0.000 2.252 602 I HA -0.092 4.075 4.170 -0.005 0.000 0.245 602 I C 2.137 178.272 176.117 0.030 0.000 1.102 602 I CA 1.521 62.847 61.300 0.043 0.000 1.385 602 I CB -1.041 36.953 38.000 -0.011 0.000 1.064 602 I HN 0.097 nan 8.210 nan 0.000 0.414 603 G N 2.216 111.029 108.800 0.020 0.000 2.591 603 G HA2 -0.416 3.541 3.960 -0.005 0.000 0.298 603 G HA3 -0.416 3.541 3.960 -0.005 0.000 0.298 603 G C 0.393 175.297 174.900 0.005 0.000 1.195 603 G CA 0.627 45.736 45.100 0.016 0.000 0.989 603 G HN 0.531 nan 8.290 nan 0.000 0.551 604 D N 1.204 121.610 120.400 0.008 0.000 2.325 604 D HA 0.411 5.048 4.640 -0.005 0.000 0.225 604 D C 1.745 178.046 176.300 0.001 0.000 1.096 604 D CA 1.022 55.024 54.000 0.004 0.000 0.844 604 D CB -0.383 40.421 40.800 0.006 0.000 0.925 604 D HN 2.157 nan 8.370 nan 0.000 0.513 605 G N 0.455 109.256 108.800 0.001 0.000 2.175 605 G HA2 -0.370 3.586 3.960 -0.005 0.000 0.265 605 G HA3 -0.370 3.586 3.960 -0.005 0.000 0.265 605 G C 1.056 175.958 174.900 0.003 0.000 0.979 605 G CA 0.904 46.000 45.100 -0.007 0.000 0.663 605 G HN 0.756 nan 8.290 nan 0.000 0.533 606 S N -0.868 114.840 115.700 0.013 0.000 2.535 606 S HA 0.332 4.799 4.470 -0.005 0.000 0.214 606 S C 0.627 175.244 174.600 0.028 0.000 0.980 606 S CA 0.610 58.822 58.200 0.020 0.000 0.907 606 S CB 0.423 63.634 63.200 0.019 0.000 0.790 606 S HN 0.602 nan 8.310 nan 0.000 0.510 607 E N 2.380 122.599 120.200 0.031 0.000 2.398 607 E HA 0.168 4.515 4.350 -0.005 0.000 0.263 607 E C -0.234 176.394 176.600 0.046 0.000 1.046 607 E CA -0.352 56.070 56.400 0.037 0.000 0.908 607 E CB 0.272 29.995 29.700 0.038 0.000 0.963 607 E HN 0.428 nan 8.360 nan 0.000 0.431 608 N N 2.324 121.054 118.700 0.049 0.000 2.513 608 N HA 0.039 4.776 4.740 -0.005 0.000 0.268 608 N C -0.124 175.427 175.510 0.069 0.000 1.180 608 N CA 0.154 53.239 53.050 0.060 0.000 0.948 608 N CB 0.405 38.924 38.487 0.052 0.000 1.083 608 N HN 0.547 nan 8.380 nan 0.000 0.455 609 I N -1.692 118.931 120.570 0.088 0.000 3.813 609 I HA 0.422 4.589 4.170 -0.005 0.000 0.323 609 I C -0.510 175.663 176.117 0.093 0.000 1.536 609 I CA -0.541 60.819 61.300 0.100 0.000 1.083 609 I CB 0.272 38.352 38.000 0.134 0.000 1.265 609 I HN 0.249 nan 8.210 nan 0.000 0.507 610 D N 2.463 122.910 120.400 0.078 0.000 2.303 610 D HA 0.219 4.856 4.640 -0.005 0.000 0.236 610 D C 0.269 176.588 176.300 0.031 0.000 1.068 610 D CA -0.014 54.021 54.000 0.059 0.000 0.830 610 D CB 0.715 41.570 40.800 0.091 0.000 1.109 610 D HN 0.244 nan 8.370 nan 0.000 0.496 611 N N 2.490 121.184 118.700 -0.011 0.000 2.671 611 N HA -0.221 4.516 4.740 -0.005 0.000 0.261 611 N C -1.412 174.100 175.510 0.004 0.000 1.053 611 N CA 1.275 54.318 53.050 -0.011 0.000 0.732 611 N CB -0.938 37.561 38.487 0.020 0.000 0.887 611 N HN 0.520 nan 8.380 nan 0.000 0.546 612 T N -0.665 113.890 114.554 0.002 0.000 2.648 612 T HA 0.317 4.664 4.350 -0.005 0.000 0.304 612 T C -1.892 172.817 174.700 0.014 0.000 1.312 612 T CA -0.565 61.544 62.100 0.015 0.000 1.023 612 T CB 0.696 69.584 68.868 0.034 0.000 1.612 612 T HN 0.066 nan 8.240 nan 0.000 0.487 613 D N 2.365 122.781 120.400 0.027 0.000 2.316 613 D HA 0.458 5.094 4.640 -0.005 0.000 0.245 613 D C 0.240 176.600 176.300 0.100 0.000 1.171 613 D CA 0.022 54.036 54.000 0.023 0.000 0.856 613 D CB 0.335 41.133 40.800 -0.004 0.000 1.090 613 D HN 0.601 nan 8.370 nan 0.000 0.476 614 I N -1.704 118.925 120.570 0.099 0.000 3.133 614 I HA 0.622 4.789 4.170 -0.005 0.000 0.311 614 I C -0.995 175.231 176.117 0.182 0.000 1.072 614 I CA -1.142 60.245 61.300 0.147 0.000 1.015 614 I CB 1.821 39.907 38.000 0.143 0.000 1.233 614 I HN 0.005 nan 8.210 nan 0.000 0.473 615 L N 2.317 123.664 121.223 0.208 0.000 2.409 615 L HA 0.472 4.809 4.340 -0.005 0.000 0.272 615 L C -1.552 175.502 176.870 0.306 0.000 0.980 615 L CA -0.421 54.544 54.840 0.208 0.000 0.826 615 L CB 2.358 44.562 42.059 0.240 0.000 1.268 615 L HN 0.524 nan 8.230 nan 0.000 0.407 616 F N 3.852 123.799 119.950 -0.006 0.000 2.375 616 F HA 0.544 5.068 4.527 -0.006 0.000 0.361 616 F C -1.035 174.722 175.800 -0.071 0.000 1.117 616 F CA -0.714 57.318 58.000 0.053 0.000 1.037 616 F CB 0.757 39.764 39.000 0.010 0.000 1.192 616 F HN 0.103 nan 8.300 nan 0.000 0.452 617 F N 5.408 125.462 119.950 0.173 0.000 2.388 617 F HA 0.277 4.801 4.527 -0.006 0.000 0.358 617 F C -0.223 175.703 175.800 0.211 0.000 1.122 617 F CA -0.701 57.415 58.000 0.194 0.000 1.056 617 F CB 0.704 39.791 39.000 0.144 0.000 1.155 617 F HN 0.429 nan 8.300 nan 0.000 0.461 618 H N 1.620 120.882 119.070 0.320 0.000 2.476 618 H HA 0.474 5.026 4.556 -0.005 0.000 0.328 618 H C -0.798 174.755 175.328 0.376 0.000 1.073 618 H CA -0.556 55.658 56.048 0.276 0.000 1.229 618 H CB 1.088 31.010 29.762 0.266 0.000 1.432 618 H HN 0.514 nan 8.280 nan 0.000 0.477 619 T N 7.539 122.058 114.554 -0.058 0.000 2.744 619 T HA 0.421 4.767 4.350 -0.005 0.000 0.291 619 T C -0.832 173.806 174.700 -0.103 0.000 0.957 619 T CA -0.363 61.781 62.100 0.074 0.000 1.002 619 T CB -0.258 68.754 68.868 0.240 0.000 0.919 619 T HN 0.500 nan 8.240 nan 0.000 0.468 620 F N 0.186 120.075 119.950 -0.102 0.000 2.685 620 F HA 0.966 5.490 4.527 -0.005 0.000 0.315 620 F C 0.141 176.083 175.800 0.236 0.000 1.126 620 F CA -0.863 57.122 58.000 -0.026 0.000 0.950 620 F CB 1.129 40.080 39.000 -0.081 0.000 1.360 620 F HN 0.875 nan 8.300 nan 0.000 0.469 621 G N 0.382 109.334 108.800 0.253 0.000 2.398 621 G HA2 0.473 4.430 3.960 -0.005 0.000 0.251 621 G HA3 0.473 4.430 3.960 -0.005 0.000 0.251 621 G C -1.983 173.055 174.900 0.230 0.000 1.277 621 G CA -0.216 45.039 45.100 0.258 0.000 0.927 621 G HN 1.577 nan 8.290 nan 0.000 0.477 622 I N -3.248 117.446 120.570 0.206 0.000 3.195 622 I HA 0.846 5.013 4.170 -0.005 0.000 0.313 622 I C -0.770 175.379 176.117 0.055 0.000 1.237 622 I CA -0.993 60.385 61.300 0.129 0.000 0.963 622 I CB 2.181 40.246 38.000 0.109 0.000 1.278 622 I HN 0.465 nan 8.210 nan 0.000 0.460 623 T N 1.050 115.592 114.554 -0.021 0.000 2.791 623 T HA 0.329 4.676 4.350 -0.005 0.000 0.288 623 T C -0.984 173.542 174.700 -0.291 0.000 0.999 623 T CA -0.136 61.842 62.100 -0.204 0.000 0.952 623 T CB -0.020 68.743 68.868 -0.176 0.000 0.938 623 T HN 0.638 nan 8.240 nan 0.000 0.444 624 H N 3.148 121.840 119.070 -0.629 0.000 2.640 624 H HA 0.387 4.940 4.556 -0.005 0.000 0.297 624 H C -1.076 173.833 175.328 -0.697 0.000 1.073 624 H CA -0.987 54.701 56.048 -0.600 0.000 1.305 624 H CB 0.271 29.585 29.762 -0.747 0.000 1.404 624 H HN 0.419 nan 8.280 nan 0.000 0.459 625 F N 6.757 126.793 119.950 0.144 0.000 2.311 625 F HA 0.272 4.796 4.527 -0.006 0.000 0.371 625 F C -1.955 173.900 175.800 0.093 0.000 1.083 625 F CA -2.554 55.472 58.000 0.044 0.000 1.113 625 F CB 0.818 39.847 39.000 0.048 0.000 1.349 625 F HN 0.541 nan 8.300 nan 0.000 0.470 626 P HA 0.173 nan 4.420 nan 0.000 0.264 626 P C -0.676 176.708 177.300 0.140 0.000 1.179 626 P CA 0.150 63.285 63.100 0.059 0.000 0.763 626 P CB 0.723 32.395 31.700 -0.048 0.000 0.806 627 A N 4.735 127.652 122.820 0.162 0.000 2.454 627 A HA 0.613 4.929 4.320 -0.005 0.000 0.302 627 A C -2.004 175.652 177.584 0.120 0.000 1.079 627 A CA -1.583 50.527 52.037 0.122 0.000 0.731 627 A CB 0.955 20.029 19.000 0.124 0.000 1.299 627 A HN 0.257 nan 8.150 nan 0.000 0.413 628 P HA -0.159 nan 4.420 nan 0.000 0.218 628 P C 0.775 178.171 177.300 0.160 0.000 1.146 628 P CA 1.441 64.618 63.100 0.128 0.000 0.813 628 P CB 0.275 32.038 31.700 0.104 0.000 0.778 629 E N -0.615 119.659 120.200 0.123 0.000 2.267 629 E HA -0.163 4.184 4.350 -0.005 0.000 0.197 629 E C 1.255 177.921 176.600 0.110 0.000 0.998 629 E CA 1.016 57.477 56.400 0.102 0.000 0.830 629 E CB -0.668 29.077 29.700 0.075 0.000 0.751 629 E HN 0.338 nan 8.360 nan 0.000 0.491 630 D N -0.958 119.537 120.400 0.157 0.000 2.355 630 D HA -0.015 4.622 4.640 -0.005 0.000 0.218 630 D C -0.257 176.167 176.300 0.206 0.000 1.004 630 D CA 0.379 54.480 54.000 0.169 0.000 0.880 630 D CB 0.119 41.069 40.800 0.250 0.000 0.911 630 D HN 0.062 nan 8.370 nan 0.000 0.528 631 F N 1.124 121.083 119.950 0.016 0.000 2.507 631 F HA 0.316 4.840 4.527 -0.006 0.000 0.327 631 F C -1.636 174.159 175.800 -0.008 0.000 1.068 631 F CA -2.375 55.621 58.000 -0.006 0.000 0.965 631 F CB 2.039 41.054 39.000 0.025 0.000 1.192 631 F HN -0.298 nan 8.300 nan 0.000 0.476 632 P HA 0.072 nan 4.420 nan 0.000 0.240 632 P C -0.465 176.416 177.300 -0.699 0.000 1.190 632 P CA 0.855 63.171 63.100 -1.308 0.000 0.781 632 P CB 1.051 32.228 31.700 -0.873 0.000 0.931 633 L N 0.958 121.879 121.223 -0.504 0.000 2.410 633 L HA 0.481 4.817 4.340 -0.005 0.000 0.270 633 L C -0.370 176.322 176.870 -0.296 0.000 0.983 633 L CA -1.281 53.212 54.840 -0.579 0.000 0.822 633 L CB 2.477 43.976 42.059 -0.934 0.000 1.285 633 L HN -0.135 nan 8.230 nan 0.000 0.409 634 M N 4.826 124.296 119.600 -0.216 0.000 2.264 634 M HA 0.613 5.089 4.480 -0.005 0.000 0.352 634 M C -2.560 173.666 176.300 -0.124 0.000 1.173 634 M CA -1.556 53.680 55.300 -0.106 0.000 1.075 634 M CB 1.262 33.850 32.600 -0.020 0.000 1.621 634 M HN 0.202 nan 8.290 nan 0.000 0.457 635 P HA 0.185 nan 4.420 nan 0.000 0.271 635 P C -0.677 176.567 177.300 -0.092 0.000 1.216 635 P CA -0.155 62.894 63.100 -0.084 0.000 0.776 635 P CB 0.544 32.212 31.700 -0.054 0.000 0.881 636 A N 2.450 125.213 122.820 -0.095 0.000 2.565 636 A HA 0.003 4.320 4.320 -0.005 0.000 0.237 636 A C 0.372 177.896 177.584 -0.101 0.000 1.053 636 A CA 0.392 52.368 52.037 -0.102 0.000 0.755 636 A CB -0.550 18.402 19.000 -0.080 0.000 0.980 636 A HN 0.609 nan 8.150 nan 0.000 0.506 637 E N 3.310 123.434 120.200 -0.126 0.000 2.145 637 E HA 0.480 4.827 4.350 -0.005 0.000 0.270 637 E C -2.656 173.882 176.600 -0.102 0.000 0.906 637 E CA -2.268 54.058 56.400 -0.123 0.000 0.761 637 E CB 1.688 31.279 29.700 -0.181 0.000 1.116 637 E HN 0.505 nan 8.360 nan 0.000 0.408 638 P HA 0.354 nan 4.420 nan 0.000 0.288 638 P C -0.768 176.505 177.300 -0.045 0.000 1.267 638 P CA -0.281 62.779 63.100 -0.067 0.000 0.815 638 P CB 1.235 32.892 31.700 -0.072 0.000 0.989 639 I N 0.827 121.371 120.570 -0.044 0.000 2.619 639 I HA 0.544 4.711 4.170 -0.005 0.000 0.292 639 I C 0.018 176.098 176.117 -0.062 0.000 1.100 639 I CA -0.464 60.833 61.300 -0.005 0.000 1.043 639 I CB 2.638 40.665 38.000 0.045 0.000 1.239 639 I HN 0.284 nan 8.210 nan 0.000 0.420 640 T N 6.282 120.786 114.554 -0.084 0.000 2.821 640 T HA 0.771 5.118 4.350 -0.005 0.000 0.306 640 T C -1.950 172.609 174.700 -0.234 0.000 1.313 640 T CA -0.548 61.446 62.100 -0.176 0.000 1.012 640 T CB 1.799 70.582 68.868 -0.141 0.000 1.298 640 T HN 0.658 nan 8.240 nan 0.000 0.502 641 L N 2.409 123.452 121.223 -0.300 0.000 2.653 641 L HA 0.820 5.156 4.340 -0.005 0.000 0.257 641 L C -2.139 174.589 176.870 -0.237 0.000 0.969 641 L CA -1.005 53.657 54.840 -0.297 0.000 0.869 641 L CB 2.146 43.896 42.059 -0.515 0.000 1.439 641 L HN 0.955 nan 8.230 nan 0.000 0.414 642 M N 3.104 122.608 119.600 -0.160 0.000 2.531 642 M HA 0.624 5.101 4.480 -0.005 0.000 0.286 642 M C -2.226 174.046 176.300 -0.046 0.000 1.232 642 M CA -0.604 54.634 55.300 -0.103 0.000 0.877 642 M CB 2.612 35.174 32.600 -0.065 0.000 1.726 642 M HN 0.699 nan 8.290 nan 0.000 0.463 643 L N 4.382 125.621 121.223 0.026 0.000 2.401 643 L HA 0.532 4.869 4.340 -0.005 0.000 0.263 643 L C -0.877 176.125 176.870 0.220 0.000 1.004 643 L CA -0.552 54.386 54.840 0.163 0.000 0.881 643 L CB 1.222 43.443 42.059 0.270 0.000 1.219 643 L HN 0.699 nan 8.230 nan 0.000 0.441 644 R N 2.892 123.410 120.500 0.030 0.000 2.404 644 R HA 0.515 4.851 4.340 -0.005 0.000 0.291 644 R C -2.603 173.377 176.300 -0.534 0.000 1.025 644 R CA -1.954 54.061 56.100 -0.141 0.000 0.991 644 R CB 0.444 30.700 30.300 -0.073 0.000 1.053 644 R HN 0.162 nan 8.270 nan 0.000 0.479 645 P HA 0.127 nan 4.420 nan 0.000 0.276 645 P C -0.928 176.166 177.300 -0.343 0.000 1.243 645 P CA -0.262 62.225 63.100 -1.022 0.000 0.768 645 P CB 0.875 32.125 31.700 -0.750 0.000 0.856 646 R N 3.154 123.532 120.500 -0.202 0.000 2.483 646 R HA 0.278 4.615 4.340 -0.005 0.000 0.303 646 R C 0.474 176.804 176.300 0.050 0.000 0.987 646 R CA -0.649 55.399 56.100 -0.087 0.000 0.881 646 R CB 0.187 30.495 30.300 0.013 0.000 1.177 646 R HN 0.664 nan 8.270 nan 0.000 0.451 647 H N 0.919 120.002 119.070 0.021 0.000 3.237 647 H HA -0.217 4.335 4.556 -0.006 0.000 0.231 647 H C 0.680 175.994 175.328 -0.023 0.000 1.148 647 H CA 1.181 57.233 56.048 0.008 0.000 1.155 647 H CB -1.152 28.606 29.762 -0.008 0.000 1.210 647 H HN 0.538 nan 8.280 nan 0.000 0.317 648 F N 0.404 120.261 119.950 -0.155 0.000 2.149 648 F HA 0.148 4.672 4.527 -0.005 0.000 0.294 648 F C 0.947 176.465 175.800 -0.470 0.000 1.095 648 F CA 0.729 58.515 58.000 -0.357 0.000 1.276 648 F CB 0.257 38.905 39.000 -0.586 0.000 1.023 648 F HN -0.066 nan 8.300 nan 0.000 0.480 649 F N -0.403 119.599 119.950 0.088 0.000 2.450 649 F HA 0.260 4.783 4.527 -0.006 0.000 0.328 649 F C 1.557 177.319 175.800 -0.064 0.000 1.068 649 F CA -0.432 57.564 58.000 -0.006 0.000 1.007 649 F CB 0.811 39.812 39.000 0.001 0.000 1.251 649 F HN -0.253 nan 8.300 nan 0.000 0.492 650 T N -2.958 111.654 114.554 0.098 0.000 3.107 650 T HA 0.229 4.575 4.350 -0.005 0.000 0.249 650 T C -0.110 174.658 174.700 0.114 0.000 1.096 650 T CA 0.162 62.224 62.100 -0.063 0.000 1.012 650 T CB -0.547 68.050 68.868 -0.451 0.000 0.977 650 T HN 0.736 nan 8.240 nan 0.000 0.527 651 E N 0.292 120.561 120.200 0.116 0.000 2.417 651 E HA 0.234 4.581 4.350 -0.005 0.000 0.280 651 E C -1.503 175.091 176.600 -0.010 0.000 1.112 651 E CA -1.137 55.304 56.400 0.069 0.000 0.863 651 E CB 0.104 29.845 29.700 0.068 0.000 1.346 651 E HN -0.103 nan 8.360 nan 0.000 0.443 652 N N 2.193 120.850 118.700 -0.070 0.000 2.301 652 N HA -0.009 4.728 4.740 -0.005 0.000 0.267 652 N C -1.358 174.049 175.510 -0.172 0.000 1.304 652 N CA -1.029 51.941 53.050 -0.133 0.000 0.851 652 N CB 0.799 39.164 38.487 -0.203 0.000 1.070 652 N HN 0.412 nan 8.380 nan 0.000 0.483 653 P HA 0.065 nan 4.420 nan 0.000 0.236 653 P C 0.640 177.852 177.300 -0.146 0.000 1.177 653 P CA 0.639 63.488 63.100 -0.418 0.000 0.773 653 P CB 0.128 31.156 31.700 -1.121 0.000 0.878 654 G N -0.220 108.572 108.800 -0.013 0.000 3.523 654 G HA2 0.143 4.100 3.960 -0.005 0.000 0.270 654 G HA3 0.143 4.100 3.960 -0.005 0.000 0.270 654 G C 1.099 176.151 174.900 0.254 0.000 1.134 654 G CA -0.190 44.988 45.100 0.129 0.000 0.825 654 G HN 0.165 nan 8.290 nan 0.000 0.534 655 L N 0.618 121.909 121.223 0.114 0.000 2.376 655 L HA 0.042 4.379 4.340 -0.005 0.000 0.219 655 L C 1.710 178.650 176.870 0.117 0.000 1.133 655 L CA 0.775 55.667 54.840 0.087 0.000 0.816 655 L CB 0.096 42.115 42.059 -0.067 0.000 0.933 655 L HN 0.260 nan 8.230 nan 0.000 0.449 656 D N -0.549 119.918 120.400 0.112 0.000 2.342 656 D HA 0.063 4.700 4.640 -0.005 0.000 0.221 656 D C 0.596 176.938 176.300 0.071 0.000 1.101 656 D CA -0.057 53.999 54.000 0.094 0.000 0.837 656 D CB -0.107 40.778 40.800 0.140 0.000 0.938 656 D HN 0.165 nan 8.370 nan 0.000 0.508 657 I N 1.402 122.024 120.570 0.087 0.000 2.474 657 I HA 0.005 4.171 4.170 -0.005 0.000 0.287 657 I C 0.688 176.834 176.117 0.049 0.000 1.048 657 I CA -0.599 60.725 61.300 0.040 0.000 1.383 657 I CB 0.901 38.914 38.000 0.021 0.000 1.412 657 I HN -0.204 nan 8.210 nan 0.000 0.531 658 Q N 7.132 126.943 119.800 0.019 0.000 2.274 658 Q HA 0.146 4.483 4.340 -0.005 0.000 0.280 658 Q C -2.112 173.901 176.000 0.022 0.000 1.047 658 Q CA -1.296 54.519 55.803 0.021 0.000 0.907 658 Q CB 0.208 28.951 28.738 0.008 0.000 1.171 658 Q HN 0.290 nan 8.270 nan 0.000 0.381 659 P HA 0.097 nan 4.420 nan 0.000 0.272 659 P C 0.314 177.634 177.300 0.034 0.000 1.223 659 P CA -0.107 63.019 63.100 0.043 0.000 0.784 659 P CB 0.803 32.546 31.700 0.071 0.000 0.923 660 S N -0.102 115.626 115.700 0.046 0.000 2.387 660 S HA -0.038 4.429 4.470 -0.005 0.000 0.226 660 S C 0.275 174.969 174.600 0.156 0.000 1.026 660 S CA 1.172 59.416 58.200 0.074 0.000 0.972 660 S CB -0.433 62.804 63.200 0.061 0.000 0.814 660 S HN 0.629 nan 8.310 nan 0.000 0.477 661 Y N -0.560 119.749 120.300 0.014 0.000 2.571 661 Y HA 0.603 5.150 4.550 -0.006 0.000 0.341 661 Y C -1.623 174.297 175.900 0.034 0.000 1.076 661 Y CA -1.080 57.033 58.100 0.020 0.000 1.029 661 Y CB 1.390 39.860 38.460 0.016 0.000 1.308 661 Y HN -0.060 nan 8.280 nan 0.000 0.461 662 A N 5.589 127.906 122.820 -0.838 0.000 2.511 662 A HA 0.580 4.897 4.320 -0.005 0.000 0.292 662 A C -2.006 175.244 177.584 -0.556 0.000 1.045 662 A CA -0.364 51.389 52.037 -0.473 0.000 0.870 662 A CB 0.652 19.543 19.000 -0.182 0.000 1.361 662 A HN 0.850 nan 8.150 nan 0.000 0.396 663 M N 2.766 122.157 119.600 -0.348 0.000 2.197 663 M HA 0.558 5.034 4.480 -0.005 0.000 0.301 663 M C -0.327 175.937 176.300 -0.060 0.000 0.987 663 M CA 0.084 55.275 55.300 -0.181 0.000 0.921 663 M CB 1.823 34.394 32.600 -0.049 0.000 1.569 663 M HN 0.651 nan 8.290 nan 0.000 0.431 664 T N 2.520 117.042 114.554 -0.053 0.000 2.828 664 T HA 0.199 4.545 4.350 -0.005 0.000 0.290 664 T C 1.063 175.755 174.700 -0.014 0.000 1.019 664 T CA -0.091 61.993 62.100 -0.026 0.000 1.031 664 T CB 1.250 70.100 68.868 -0.030 0.000 1.001 664 T HN 0.860 nan 8.240 nan 0.000 0.531 665 T N 1.808 116.355 114.554 -0.012 0.000 2.708 665 T HA -0.131 4.215 4.350 -0.005 0.000 0.266 665 T C 2.362 177.052 174.700 -0.018 0.000 1.037 665 T CA 1.820 63.910 62.100 -0.017 0.000 1.146 665 T CB -0.456 68.397 68.868 -0.025 0.000 0.865 665 T HN 0.769 nan 8.240 nan 0.000 0.435 666 S N 1.733 117.422 115.700 -0.018 0.000 2.368 666 S HA -0.163 4.304 4.470 -0.005 0.000 0.225 666 S C 1.884 176.475 174.600 -0.014 0.000 1.030 666 S CA 1.363 59.553 58.200 -0.017 0.000 0.999 666 S CB -0.524 62.666 63.200 -0.017 0.000 0.844 666 S HN 0.610 nan 8.310 nan 0.000 0.459 667 E N 1.873 122.064 120.200 -0.016 0.000 2.077 667 E HA -0.050 4.297 4.350 -0.005 0.000 0.193 667 E C 2.443 179.040 176.600 -0.004 0.000 0.989 667 E CA 1.047 57.438 56.400 -0.014 0.000 0.800 667 E CB -0.480 29.203 29.700 -0.027 0.000 0.746 667 E HN 0.740 nan 8.360 nan 0.000 0.452 668 A N 1.400 124.220 122.820 0.001 0.000 2.019 668 A HA -0.210 4.107 4.320 -0.005 0.000 0.219 668 A C 1.929 179.516 177.584 0.004 0.000 1.164 668 A CA 1.273 53.318 52.037 0.013 0.000 0.644 668 A CB -0.207 18.804 19.000 0.017 0.000 0.805 668 A HN 0.040 nan 8.150 nan 0.000 0.449 669 K N -0.790 119.607 120.400 -0.005 0.000 2.031 669 K HA -0.040 4.277 4.320 -0.005 0.000 0.205 669 K C 2.332 178.930 176.600 -0.004 0.000 1.049 669 K CA 1.070 57.353 56.287 -0.008 0.000 0.939 669 K CB -0.160 32.332 32.500 -0.013 0.000 0.717 669 K HN 0.370 nan 8.250 nan 0.000 0.438 670 R N 0.488 120.986 120.500 -0.004 0.000 2.096 670 R HA -0.127 4.210 4.340 -0.005 0.000 0.240 670 R C 2.168 178.470 176.300 0.002 0.000 1.139 670 R CA 1.463 57.562 56.100 -0.002 0.000 0.952 670 R CB -0.391 29.907 30.300 -0.004 0.000 0.854 670 R HN 0.174 nan 8.270 nan 0.000 0.436 671 A N 0.740 123.565 122.820 0.007 0.000 2.234 671 A HA 0.031 4.348 4.320 -0.005 0.000 0.216 671 A C 0.660 178.251 177.584 0.011 0.000 1.167 671 A CA 0.734 52.779 52.037 0.014 0.000 0.698 671 A CB -0.215 18.800 19.000 0.025 0.000 0.779 671 A HN 0.153 nan 8.150 nan 0.000 0.475 672 V N 0.000 119.917 119.914 0.005 0.000 2.409 672 V HA 0.000 4.117 4.120 -0.005 0.000 0.244 672 V CA 0.000 62.301 62.300 0.002 0.000 1.235 672 V CB 0.000 31.825 31.823 0.003 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556