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 3n9h_1_B 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 LSEMIVPAGS 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 0.000 177.301 177.300 0.002 0.000 1.155 18 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 18 P CB 0.000 31.699 31.700 -0.002 0.000 0.726 19 A N 2.043 124.863 122.820 0.001 0.000 2.450 19 A HA 0.470 4.789 4.320 -0.001 0.000 0.255 19 A C 0.532 178.122 177.584 0.010 0.000 1.096 19 A CA -0.279 51.761 52.037 0.006 0.000 0.778 19 A CB 0.062 19.066 19.000 0.006 0.000 1.031 19 A HN 0.472 nan 8.150 nan 0.000 0.494 20 R N 2.378 122.884 120.500 0.011 0.000 2.679 20 R HA 0.275 4.615 4.340 -0.001 0.000 0.268 20 R C -1.905 174.408 176.300 0.022 0.000 1.044 20 R CA -0.748 55.357 56.100 0.010 0.000 1.105 20 R CB 0.088 30.390 30.300 0.003 0.000 0.989 20 R HN 0.648 nan 8.270 nan 0.000 0.447 21 P HA 0.103 nan 4.420 nan 0.000 0.279 21 P C -0.305 177.036 177.300 0.069 0.000 1.276 21 P CA -0.303 62.830 63.100 0.056 0.000 0.801 21 P CB 0.993 32.739 31.700 0.076 0.000 1.127 22 A N 0.448 123.333 122.820 0.109 0.000 1.845 22 A HA -0.142 4.177 4.320 -0.001 0.000 0.215 22 A C 1.179 178.862 177.584 0.165 0.000 1.195 22 A CA 1.452 53.571 52.037 0.137 0.000 0.616 22 A CB -1.532 17.565 19.000 0.161 0.000 0.832 22 A HN 0.791 nan 8.150 nan 0.000 0.443 23 H N -1.410 117.723 119.070 0.104 0.000 2.463 23 H HA 0.412 4.968 4.556 -0.001 0.000 0.332 23 H C -2.114 173.183 175.328 -0.052 0.000 1.127 23 H CA -1.953 54.148 56.048 0.087 0.000 1.238 23 H CB 1.796 31.692 29.762 0.223 0.000 1.478 23 H HN -0.032 nan 8.280 nan 0.000 0.499 24 P HA -0.132 nan 4.420 nan 0.000 0.221 24 P C 0.669 177.988 177.300 0.032 0.000 1.145 24 P CA 1.196 64.166 63.100 -0.217 0.000 0.795 24 P CB 0.298 31.671 31.700 -0.544 0.000 0.775 25 L N -1.877 119.489 121.223 0.238 0.000 2.607 25 L HA 0.125 4.464 4.340 -0.001 0.000 0.228 25 L C 0.314 177.173 176.870 -0.019 0.000 1.123 25 L CA -0.149 54.611 54.840 -0.132 0.000 0.890 25 L CB -0.456 41.197 42.059 -0.676 0.000 1.103 25 L HN -0.100 nan 8.230 nan 0.000 0.468 26 D N 1.437 121.958 120.400 0.201 0.000 2.423 26 D HA 0.122 4.762 4.640 -0.001 0.000 0.238 26 D C -2.040 174.374 176.300 0.191 0.000 1.142 26 D CA -1.002 53.169 54.000 0.285 0.000 0.884 26 D CB 0.558 41.501 40.800 0.237 0.000 1.199 26 D HN -0.066 nan 8.370 nan 0.000 0.438 27 P HA 0.070 nan 4.420 nan 0.000 0.271 27 P C 0.009 177.408 177.300 0.164 0.000 1.233 27 P CA -0.353 62.865 63.100 0.197 0.000 0.789 27 P CB 0.563 32.401 31.700 0.230 0.000 0.951 28 L N 0.555 121.875 121.223 0.161 0.000 2.485 28 L HA 0.075 4.414 4.340 -0.001 0.000 0.275 28 L C 1.212 178.141 176.870 0.098 0.000 1.207 28 L CA 0.127 55.038 54.840 0.119 0.000 0.855 28 L CB -0.105 42.027 42.059 0.122 0.000 1.114 28 L HN 0.505 nan 8.230 nan 0.000 0.485 29 S N -0.279 115.442 115.700 0.035 0.000 2.645 29 S HA 0.153 4.622 4.470 -0.001 0.000 0.266 29 S C 1.254 175.784 174.600 -0.116 0.000 1.258 29 S CA -0.187 57.980 58.200 -0.055 0.000 0.990 29 S CB 1.334 64.503 63.200 -0.053 0.000 0.967 29 S HN 0.765 nan 8.310 nan 0.000 0.556 30 T N -1.072 113.314 114.554 -0.281 0.000 2.759 30 T HA -0.130 4.219 4.350 -0.001 0.000 0.269 30 T C 1.967 176.603 174.700 -0.107 0.000 1.042 30 T CA 1.219 63.190 62.100 -0.214 0.000 1.140 30 T CB -1.124 67.579 68.868 -0.275 0.000 0.864 30 T HN 0.881 nan 8.240 nan 0.000 0.455 31 A N 1.937 124.700 122.820 -0.095 0.000 1.902 31 A HA -0.091 4.228 4.320 -0.001 0.000 0.217 31 A C 2.335 179.896 177.584 -0.038 0.000 1.181 31 A CA 1.621 53.624 52.037 -0.058 0.000 0.623 31 A CB -0.691 18.281 19.000 -0.047 0.000 0.818 31 A HN 0.654 nan 8.150 nan 0.000 0.443 32 E N -0.296 119.889 120.200 -0.025 0.000 2.077 32 E HA -0.139 4.210 4.350 -0.001 0.000 0.193 32 E C 1.892 178.489 176.600 -0.004 0.000 0.989 32 E CA 1.134 57.532 56.400 -0.003 0.000 0.800 32 E CB -0.292 29.419 29.700 0.020 0.000 0.746 32 E HN 0.692 nan 8.360 nan 0.000 0.452 33 I N 1.063 121.629 120.570 -0.007 0.000 2.163 33 I HA -0.299 3.870 4.170 -0.001 0.000 0.243 33 I C 2.497 178.569 176.117 -0.075 0.000 1.085 33 I CA 1.124 62.415 61.300 -0.015 0.000 1.347 33 I CB -0.193 37.812 38.000 0.008 0.000 1.044 33 I HN 0.002 nan 8.210 nan 0.000 0.408 34 K N 1.454 121.809 120.400 -0.075 0.000 2.057 34 K HA -0.114 4.205 4.320 -0.001 0.000 0.207 34 K C 2.050 178.600 176.600 -0.084 0.000 1.049 34 K CA 1.675 57.904 56.287 -0.096 0.000 0.931 34 K CB -0.416 32.042 32.500 -0.070 0.000 0.714 34 K HN 0.287 nan 8.250 nan 0.000 0.440 35 A N 0.541 123.329 122.820 -0.052 0.000 1.908 35 A HA -0.095 4.224 4.320 -0.001 0.000 0.218 35 A C 2.379 179.941 177.584 -0.037 0.000 1.181 35 A CA 2.164 54.181 52.037 -0.034 0.000 0.627 35 A CB -1.148 17.842 19.000 -0.016 0.000 0.818 35 A HN 0.425 nan 8.150 nan 0.000 0.445 36 A N -0.224 122.573 122.820 -0.038 0.000 1.858 36 A HA -0.134 4.186 4.320 -0.001 0.000 0.216 36 A C 2.487 180.019 177.584 -0.086 0.000 1.190 36 A CA 2.796 54.815 52.037 -0.030 0.000 0.617 36 A CB -1.543 17.464 19.000 0.011 0.000 0.827 36 A HN 0.805 nan 8.150 nan 0.000 0.443 37 T N -1.769 112.659 114.554 -0.211 0.000 2.788 37 T HA -0.165 4.184 4.350 -0.001 0.000 0.268 37 T C 1.686 176.314 174.700 -0.120 0.000 1.044 37 T CA 1.430 63.287 62.100 -0.404 0.000 1.139 37 T CB -0.601 67.713 68.868 -0.923 0.000 0.867 37 T HN 0.389 nan 8.240 nan 0.000 0.454 38 N N 1.504 120.151 118.700 -0.088 0.000 2.069 38 N HA -0.081 4.658 4.740 -0.001 0.000 0.191 38 N C 2.137 177.660 175.510 0.022 0.000 1.031 38 N CA 1.961 55.002 53.050 -0.017 0.000 0.852 38 N CB -1.132 37.342 38.487 -0.021 0.000 1.018 38 N HN 0.508 nan 8.380 nan 0.000 0.423 39 T N 1.176 115.732 114.554 0.003 0.000 2.684 39 T HA -0.084 4.266 4.350 -0.001 0.000 0.267 39 T C 2.169 176.885 174.700 0.026 0.000 1.036 39 T CA 1.086 63.194 62.100 0.013 0.000 1.148 39 T CB -0.447 68.419 68.868 -0.004 0.000 0.863 39 T HN -0.013 nan 8.240 nan 0.000 0.436 40 V N 1.264 121.187 119.914 0.015 0.000 2.295 40 V HA -0.175 3.944 4.120 -0.001 0.000 0.246 40 V C 2.491 178.726 176.094 0.235 0.000 1.049 40 V CA 1.607 63.925 62.300 0.030 0.000 1.024 40 V CB -0.495 31.299 31.823 -0.050 0.000 0.648 40 V HN 0.452 nan 8.190 nan 0.000 0.447 41 K N -0.021 120.545 120.400 0.277 0.000 2.074 41 K HA -0.188 4.131 4.320 -0.001 0.000 0.209 41 K C 2.425 179.123 176.600 0.163 0.000 1.048 41 K CA 1.895 58.332 56.287 0.250 0.000 0.926 41 K CB -0.329 32.295 32.500 0.207 0.000 0.713 41 K HN 0.389 nan 8.250 nan 0.000 0.444 42 S N 0.190 115.953 115.700 0.104 0.000 2.356 42 S HA -0.175 4.294 4.470 -0.001 0.000 0.223 42 S C 1.702 176.306 174.600 0.007 0.000 1.032 42 S CA 1.112 59.342 58.200 0.050 0.000 1.005 42 S CB -0.432 62.789 63.200 0.034 0.000 0.867 42 S HN 0.323 nan 8.310 nan 0.000 0.449 43 Y N 1.022 121.227 120.300 -0.158 0.000 2.193 43 Y HA -0.147 4.402 4.550 -0.001 0.000 0.285 43 Y C 0.644 176.244 175.900 -0.500 0.000 1.166 43 Y CA 1.357 59.233 58.100 -0.372 0.000 1.181 43 Y CB -0.141 37.982 38.460 -0.561 0.000 0.976 43 Y HN 0.192 nan 8.280 nan 0.000 0.520 44 F N 0.448 120.462 119.950 0.107 0.000 2.983 44 F HA 0.452 4.978 4.527 -0.001 0.000 0.307 44 F C 0.733 176.531 175.800 -0.003 0.000 1.218 44 F CA -0.599 57.422 58.000 0.035 0.000 1.323 44 F CB -0.760 38.270 39.000 0.050 0.000 0.989 44 F HN -0.032 nan 8.300 nan 0.000 0.509 45 A N 0.118 122.975 122.820 0.062 0.000 2.546 45 A HA 0.417 4.736 4.320 -0.001 0.000 0.243 45 A C 1.535 179.147 177.584 0.047 0.000 1.063 45 A CA 0.800 52.864 52.037 0.045 0.000 0.757 45 A CB -0.469 18.528 19.000 -0.004 0.000 0.991 45 A HN 1.179 nan 8.150 nan 0.000 0.503 46 G N 1.465 110.293 108.800 0.047 0.000 2.159 46 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.256 46 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.256 46 G C 0.134 175.059 174.900 0.042 0.000 0.977 46 G CA 0.610 45.731 45.100 0.035 0.000 0.652 46 G HN 0.758 nan 8.290 nan 0.000 0.531 47 K N -0.044 120.394 120.400 0.064 0.000 2.207 47 K HA 0.481 4.800 4.320 -0.001 0.000 0.255 47 K C -0.167 176.441 176.600 0.012 0.000 0.941 47 K CA -1.040 55.274 56.287 0.044 0.000 0.825 47 K CB 1.934 34.482 32.500 0.080 0.000 1.119 47 K HN 0.109 nan 8.250 nan 0.000 0.430 48 K N 3.603 123.992 120.400 -0.017 0.000 2.150 48 K HA 0.189 4.508 4.320 -0.001 0.000 0.261 48 K C 0.012 176.565 176.600 -0.078 0.000 1.127 48 K CA -0.175 56.095 56.287 -0.029 0.000 0.989 48 K CB -0.487 31.999 32.500 -0.023 0.000 1.475 48 K HN 0.560 nan 8.250 nan 0.000 0.391 49 I N -0.275 120.233 120.570 -0.104 0.000 2.648 49 I HA 0.601 4.770 4.170 -0.001 0.000 0.304 49 I C -0.507 175.485 176.117 -0.209 0.000 1.009 49 I CA -0.736 60.433 61.300 -0.219 0.000 1.114 49 I CB 2.171 39.956 38.000 -0.359 0.000 1.293 49 I HN 0.359 nan 8.210 nan 0.000 0.449 50 S N 3.384 118.926 115.700 -0.264 0.000 2.568 50 S HA 0.670 5.139 4.470 -0.001 0.000 0.293 50 S C -0.977 173.444 174.600 -0.298 0.000 1.089 50 S CA -0.668 57.436 58.200 -0.159 0.000 0.945 50 S CB 1.447 64.613 63.200 -0.056 0.000 1.077 50 S HN 0.507 nan 8.310 nan 0.000 0.485 51 F N 2.601 122.540 119.950 -0.017 0.000 2.405 51 F HA 0.457 4.983 4.527 -0.001 0.000 0.355 51 F C 1.711 177.509 175.800 -0.003 0.000 1.121 51 F CA -0.617 57.380 58.000 -0.005 0.000 1.112 51 F CB 1.233 40.238 39.000 0.008 0.000 1.126 51 F HN 0.825 nan 8.300 nan 0.000 0.481 52 N N 1.284 120.053 118.700 0.115 0.000 2.436 52 N HA 0.015 4.754 4.740 -0.001 0.000 0.178 52 N C -0.343 175.242 175.510 0.125 0.000 1.026 52 N CA 0.754 53.855 53.050 0.085 0.000 0.880 52 N CB 0.603 39.112 38.487 0.037 0.000 1.061 52 N HN 0.537 nan 8.380 nan 0.000 0.434 53 T N 0.594 115.206 114.554 0.097 0.000 3.105 53 T HA 0.447 4.796 4.350 -0.001 0.000 0.321 53 T C -1.390 173.332 174.700 0.037 0.000 1.135 53 T CA -0.488 61.592 62.100 -0.032 0.000 1.053 53 T CB 2.583 71.289 68.868 -0.269 0.000 1.133 53 T HN -0.142 nan 8.240 nan 0.000 0.463 54 V N 2.758 122.703 119.914 0.051 0.000 2.462 54 V HA 0.763 4.883 4.120 -0.001 0.000 0.288 54 V C -0.157 176.009 176.094 0.119 0.000 1.020 54 V CA -0.459 61.914 62.300 0.121 0.000 0.857 54 V CB 1.601 33.492 31.823 0.113 0.000 1.013 54 V HN 0.990 nan 8.190 nan 0.000 0.431 55 T N 3.885 118.533 114.554 0.156 0.000 2.843 55 T HA 0.607 4.957 4.350 -0.001 0.000 0.302 55 T C -1.245 173.596 174.700 0.234 0.000 1.232 55 T CA -0.530 61.695 62.100 0.208 0.000 1.009 55 T CB 1.619 70.613 68.868 0.210 0.000 1.254 55 T HN 0.541 nan 8.240 nan 0.000 0.504 56 L N 3.060 124.410 121.223 0.212 0.000 2.490 56 L HA 0.543 4.882 4.340 -0.001 0.000 0.274 56 L C 0.203 177.164 176.870 0.153 0.000 1.201 56 L CA 0.188 55.128 54.840 0.166 0.000 0.869 56 L CB 0.355 42.499 42.059 0.141 0.000 1.123 56 L HN 0.607 nan 8.230 nan 0.000 0.484 57 R N 4.617 125.192 120.500 0.126 0.000 2.233 57 R HA 0.316 4.655 4.340 -0.001 0.000 0.334 57 R C -0.616 175.710 176.300 0.044 0.000 1.037 57 R CA -0.201 55.947 56.100 0.081 0.000 0.920 57 R CB -0.048 30.310 30.300 0.098 0.000 1.137 57 R HN 0.746 nan 8.270 nan 0.000 0.492 58 E N 5.581 125.791 120.200 0.017 0.000 2.415 58 E HA 0.076 4.425 4.350 -0.001 0.000 0.262 58 E C -1.848 174.759 176.600 0.013 0.000 1.038 58 E CA -1.354 55.046 56.400 -0.001 0.000 0.921 58 E CB 0.244 29.922 29.700 -0.036 0.000 0.950 58 E HN 0.561 nan 8.360 nan 0.000 0.438 59 P HA -0.004 nan 4.420 nan 0.000 0.269 59 P C -0.802 176.550 177.300 0.086 0.000 1.215 59 P CA -0.219 62.913 63.100 0.054 0.000 0.780 59 P CB 0.563 32.305 31.700 0.070 0.000 0.898 60 A N 2.503 125.373 122.820 0.084 0.000 2.531 60 A HA -0.046 4.273 4.320 -0.001 0.000 0.236 60 A C 1.854 179.510 177.584 0.120 0.000 1.062 60 A CA 0.026 52.122 52.037 0.098 0.000 0.760 60 A CB -0.390 18.655 19.000 0.076 0.000 0.995 60 A HN 0.694 nan 8.150 nan 0.000 0.501 61 R N 1.298 121.851 120.500 0.089 0.000 2.094 61 R HA -0.189 4.150 4.340 -0.001 0.000 0.239 61 R C 2.116 178.382 176.300 -0.056 0.000 1.137 61 R CA 2.212 58.263 56.100 -0.081 0.000 0.943 61 R CB -0.217 29.827 30.300 -0.427 0.000 0.850 61 R HN 0.860 nan 8.270 nan 0.000 0.433 62 K N -0.313 120.065 120.400 -0.036 0.000 2.032 62 K HA -0.164 4.155 4.320 -0.001 0.000 0.209 62 K C 1.945 178.571 176.600 0.043 0.000 1.048 62 K CA 1.605 57.883 56.287 -0.016 0.000 0.927 62 K CB -0.205 32.293 32.500 -0.002 0.000 0.712 62 K HN 0.289 nan 8.250 nan 0.000 0.441 63 A N 0.360 123.225 122.820 0.075 0.000 1.902 63 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 63 A C 2.072 179.748 177.584 0.153 0.000 1.181 63 A CA 1.523 53.617 52.037 0.095 0.000 0.623 63 A CB -0.919 18.129 19.000 0.080 0.000 0.818 63 A HN 0.590 nan 8.150 nan 0.000 0.443 64 Y N 0.601 120.956 120.300 0.091 0.000 2.128 64 Y HA -0.211 4.338 4.550 -0.001 0.000 0.284 64 Y C 2.035 178.085 175.900 0.250 0.000 1.154 64 Y CA 1.975 60.183 58.100 0.181 0.000 1.149 64 Y CB -0.262 38.312 38.460 0.190 0.000 0.976 64 Y HN 0.272 nan 8.280 nan 0.000 0.505 65 I N -0.026 120.668 120.570 0.206 0.000 2.286 65 I HA -0.323 3.846 4.170 -0.001 0.000 0.248 65 I C 2.527 178.634 176.117 -0.017 0.000 1.115 65 I CA 1.305 62.653 61.300 0.080 0.000 1.392 65 I CB -0.533 37.492 38.000 0.042 0.000 1.065 65 I HN 0.349 nan 8.210 nan 0.000 0.418 66 Q N 0.045 119.854 119.800 0.014 0.000 2.084 66 Q HA -0.263 4.076 4.340 -0.001 0.000 0.202 66 Q C 1.992 177.977 176.000 -0.025 0.000 0.978 66 Q CA 2.022 57.822 55.803 -0.004 0.000 0.844 66 Q CB -0.347 28.406 28.738 0.025 0.000 0.898 66 Q HN 0.663 nan 8.270 nan 0.000 0.426 67 W N 1.605 122.801 121.300 -0.174 0.000 2.358 67 W HA -0.155 4.504 4.660 -0.001 0.000 0.303 67 W C 2.049 178.412 176.519 -0.260 0.000 1.208 67 W CA 1.473 58.693 57.345 -0.209 0.000 1.274 67 W CB -0.119 29.190 29.460 -0.251 0.000 1.138 67 W HN -0.058 nan 8.180 nan 0.000 0.515 68 K N 0.471 120.578 120.400 -0.487 0.000 2.062 68 K HA -0.139 4.180 4.320 -0.001 0.000 0.205 68 K C 1.120 177.441 176.600 -0.464 0.000 1.051 68 K CA 1.974 57.831 56.287 -0.717 0.000 0.941 68 K CB -0.132 32.109 32.500 -0.432 0.000 0.719 68 K HN 0.461 nan 8.250 nan 0.000 0.440 69 E N -1.169 118.870 120.200 -0.269 0.000 2.641 69 E HA 0.073 4.422 4.350 -0.001 0.000 0.224 69 E C 0.454 176.966 176.600 -0.145 0.000 0.951 69 E CA -0.120 56.170 56.400 -0.182 0.000 1.102 69 E CB 0.729 30.369 29.700 -0.099 0.000 1.091 69 E HN 0.051 nan 8.360 nan 0.000 0.507 70 Q N 0.234 119.945 119.800 -0.149 0.000 2.112 70 Q HA 0.180 4.519 4.340 -0.001 0.000 0.222 70 Q C 0.747 176.682 176.000 -0.108 0.000 0.798 70 Q CA 0.295 56.037 55.803 -0.102 0.000 1.060 70 Q CB 1.339 30.039 28.738 -0.063 0.000 1.184 70 Q HN 0.415 nan 8.270 nan 0.000 0.475 71 G N 1.022 109.719 108.800 -0.172 0.000 2.258 71 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.274 71 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.274 71 G C 0.561 175.407 174.900 -0.089 0.000 1.021 71 G CA 0.320 45.324 45.100 -0.160 0.000 0.798 71 G HN 0.499 nan 8.290 nan 0.000 0.507 72 G N 0.023 108.786 108.800 -0.061 0.000 2.634 72 G HA2 0.605 4.564 3.960 -0.001 0.000 0.255 72 G HA3 0.605 4.564 3.960 -0.001 0.000 0.255 72 G C -1.225 173.754 174.900 0.131 0.000 1.205 72 G CA -0.326 44.793 45.100 0.033 0.000 0.884 72 G HN 0.340 nan 8.290 nan 0.000 0.549 73 P HA 0.105 nan 4.420 nan 0.000 0.272 73 P C -0.288 177.138 177.300 0.210 0.000 1.223 73 P CA -0.615 62.577 63.100 0.153 0.000 0.784 73 P CB 1.058 32.804 31.700 0.076 0.000 0.923 74 L N 4.889 126.202 121.223 0.149 0.000 2.513 74 L HA 0.214 4.554 4.340 -0.001 0.000 0.272 74 L C -2.048 174.733 176.870 -0.149 0.000 1.187 74 L CA -1.282 53.477 54.840 -0.136 0.000 0.895 74 L CB -0.905 41.099 42.059 -0.091 0.000 1.147 74 L HN 0.313 nan 8.230 nan 0.000 0.483 75 P HA 0.231 nan 4.420 nan 0.000 0.272 75 P C -2.514 174.731 177.300 -0.091 0.000 1.223 75 P CA -0.904 62.126 63.100 -0.116 0.000 0.784 75 P CB -0.158 31.479 31.700 -0.106 0.000 0.923 76 P HA 0.163 nan 4.420 nan 0.000 0.268 76 P C -0.393 176.896 177.300 -0.018 0.000 1.205 76 P CA -0.091 62.998 63.100 -0.019 0.000 0.771 76 P CB 0.382 32.084 31.700 0.003 0.000 0.858 77 R N 3.281 123.774 120.500 -0.011 0.000 2.248 77 R HA 0.334 4.673 4.340 -0.001 0.000 0.337 77 R C -0.805 175.513 176.300 0.030 0.000 1.106 77 R CA 0.072 56.173 56.100 0.002 0.000 0.959 77 R CB -1.021 29.279 30.300 -0.001 0.000 1.075 77 R HN 0.441 nan 8.270 nan 0.000 0.480 78 L N 2.483 123.734 121.223 0.046 0.000 2.334 78 L HA 0.785 5.125 4.340 -0.001 0.000 0.273 78 L C -0.154 176.782 176.870 0.109 0.000 1.013 78 L CA -1.369 53.516 54.840 0.075 0.000 0.816 78 L CB 2.065 44.169 42.059 0.075 0.000 1.278 78 L HN 0.603 nan 8.230 nan 0.000 0.431 79 A N 1.750 124.655 122.820 0.141 0.000 2.330 79 A HA 0.553 4.872 4.320 -0.001 0.000 0.313 79 A C -1.530 176.209 177.584 0.258 0.000 1.124 79 A CA -0.387 51.762 52.037 0.185 0.000 0.774 79 A CB 0.978 20.075 19.000 0.161 0.000 1.198 79 A HN 0.598 nan 8.150 nan 0.000 0.465 80 Y N 3.356 123.728 120.300 0.120 0.000 2.323 80 Y HA 0.595 5.144 4.550 -0.001 0.000 0.331 80 Y C -0.755 175.223 175.900 0.129 0.000 1.092 80 Y CA -0.821 57.319 58.100 0.067 0.000 1.150 80 Y CB 0.787 39.270 38.460 0.038 0.000 1.200 80 Y HN 0.720 nan 8.280 nan 0.000 0.472 81 Y N 3.015 122.995 120.300 -0.533 0.000 2.576 81 Y HA 0.832 5.381 4.550 -0.001 0.000 0.346 81 Y C -2.065 173.473 175.900 -0.605 0.000 1.018 81 Y CA -1.724 56.136 58.100 -0.401 0.000 1.050 81 Y CB 1.312 39.754 38.460 -0.031 0.000 1.280 81 Y HN 0.353 nan 8.280 nan 0.000 0.474 82 V N 4.685 124.493 119.914 -0.177 0.000 2.569 82 V HA 0.516 4.635 4.120 -0.001 0.000 0.301 82 V C -0.388 175.685 176.094 -0.035 0.000 1.044 82 V CA -0.680 61.525 62.300 -0.158 0.000 0.874 82 V CB 1.338 33.108 31.823 -0.090 0.000 1.002 82 V HN 0.854 nan 8.190 nan 0.000 0.424 83 I N 2.710 123.221 120.570 -0.099 0.000 3.002 83 I HA 0.725 4.894 4.170 -0.001 0.000 0.310 83 I C -1.464 174.506 176.117 -0.244 0.000 1.087 83 I CA -0.988 60.157 61.300 -0.259 0.000 1.017 83 I CB 2.324 40.028 38.000 -0.492 0.000 1.226 83 I HN 0.238 nan 8.210 nan 0.000 0.443 84 L N 2.333 123.406 121.223 -0.250 0.000 2.334 84 L HA 0.559 4.899 4.340 -0.001 0.000 0.273 84 L C -0.461 176.274 176.870 -0.224 0.000 1.013 84 L CA -0.246 54.477 54.840 -0.194 0.000 0.816 84 L CB 1.716 43.699 42.059 -0.128 0.000 1.278 84 L HN 0.829 nan 8.230 nan 0.000 0.431 85 E N 1.563 121.651 120.200 -0.188 0.000 2.218 85 E HA 0.565 4.914 4.350 -0.001 0.000 0.263 85 E C -0.656 175.881 176.600 -0.105 0.000 0.879 85 E CA -0.724 55.573 56.400 -0.172 0.000 0.762 85 E CB 1.984 31.567 29.700 -0.195 0.000 1.166 85 E HN 0.726 nan 8.360 nan 0.000 0.415 86 A N 3.107 125.879 122.820 -0.081 0.000 2.584 86 A HA 0.368 4.687 4.320 -0.001 0.000 0.239 86 A C 1.305 178.864 177.584 -0.041 0.000 1.043 86 A CA 1.023 53.029 52.037 -0.052 0.000 0.756 86 A CB -0.562 18.416 19.000 -0.038 0.000 0.963 86 A HN 1.303 nan 8.150 nan 0.000 0.511 87 G N 1.501 110.281 108.800 -0.032 0.000 2.184 87 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.264 87 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.264 87 G C 0.219 175.105 174.900 -0.024 0.000 0.975 87 G CA 0.736 45.823 45.100 -0.022 0.000 0.642 87 G HN 0.758 nan 8.290 nan 0.000 0.536 88 K N 1.144 121.521 120.400 -0.037 0.000 2.221 88 K HA 0.490 4.809 4.320 -0.001 0.000 0.258 88 K C -2.281 174.296 176.600 -0.038 0.000 0.944 88 K CA -1.704 54.560 56.287 -0.038 0.000 0.823 88 K CB 2.516 34.981 32.500 -0.058 0.000 1.113 88 K HN 0.178 nan 8.250 nan 0.000 0.431 89 P HA 0.150 nan 4.420 nan 0.000 0.275 89 P C 0.558 177.837 177.300 -0.034 0.000 1.228 89 P CA 0.280 63.368 63.100 -0.019 0.000 0.786 89 P CB 0.843 32.543 31.700 -0.001 0.000 0.927 90 G N 1.378 110.157 108.800 -0.036 0.000 2.550 90 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.277 90 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.277 90 G C -0.212 174.626 174.900 -0.103 0.000 1.190 90 G CA 0.515 45.579 45.100 -0.061 0.000 0.971 90 G HN 0.944 nan 8.290 nan 0.000 0.559 91 V N -3.763 116.068 119.914 -0.139 0.000 3.165 91 V HA 0.960 5.079 4.120 -0.001 0.000 0.309 91 V C -0.504 175.497 176.094 -0.154 0.000 1.267 91 V CA -0.487 61.708 62.300 -0.174 0.000 1.067 91 V CB 1.979 33.649 31.823 -0.255 0.000 1.082 91 V HN 1.073 nan 8.190 nan 0.000 0.451 92 K N 0.854 121.157 120.400 -0.162 0.000 2.427 92 K HA 0.649 4.968 4.320 -0.001 0.000 0.252 92 K C -1.220 175.309 176.600 -0.119 0.000 0.931 92 K CA -0.494 55.727 56.287 -0.111 0.000 0.793 92 K CB 2.378 34.784 32.500 -0.157 0.000 1.211 92 K HN 1.022 nan 8.250 nan 0.000 0.426 93 E N 0.884 120.996 120.200 -0.148 0.000 2.392 93 E HA 0.824 5.173 4.350 -0.001 0.000 0.269 93 E C -0.436 175.811 176.600 -0.590 0.000 0.924 93 E CA -1.296 54.852 56.400 -0.420 0.000 0.784 93 E CB 2.285 31.872 29.700 -0.189 0.000 1.292 93 E HN 0.607 nan 8.360 nan 0.000 0.447 94 G N 0.225 108.282 108.800 -1.239 0.000 2.430 94 G HA2 0.424 4.383 3.960 -0.001 0.000 0.300 94 G HA3 0.424 4.383 3.960 -0.001 0.000 0.300 94 G C -1.808 172.735 174.900 -0.595 0.000 1.330 94 G CA -1.052 43.566 45.100 -0.804 0.000 0.813 94 G HN 0.393 nan 8.290 nan 0.000 0.487 95 L N 0.122 121.319 121.223 -0.043 0.000 2.346 95 L HA 0.712 5.051 4.340 -0.001 0.000 0.276 95 L C -0.471 176.529 176.870 0.218 0.000 1.006 95 L CA -1.166 53.755 54.840 0.134 0.000 0.817 95 L CB 2.179 44.301 42.059 0.105 0.000 1.272 95 L HN 0.311 nan 8.230 nan 0.000 0.421 96 V N 1.300 121.353 119.914 0.230 0.000 2.459 96 V HA 0.189 4.308 4.120 -0.001 0.000 0.295 96 V C -0.640 175.513 176.094 0.099 0.000 1.029 96 V CA -0.535 61.855 62.300 0.150 0.000 0.874 96 V CB 2.053 33.958 31.823 0.137 0.000 0.985 96 V HN 0.714 nan 8.190 nan 0.000 0.438 97 D N 3.635 124.074 120.400 0.065 0.000 2.380 97 D HA 0.305 4.945 4.640 -0.001 0.000 0.230 97 D C 1.023 177.347 176.300 0.040 0.000 1.154 97 D CA -0.227 53.802 54.000 0.049 0.000 0.859 97 D CB 1.011 41.833 40.800 0.037 0.000 1.045 97 D HN 0.437 nan 8.370 nan 0.000 0.495 98 L N 3.528 124.774 121.223 0.039 0.000 2.083 98 L HA -0.126 4.213 4.340 -0.001 0.000 0.209 98 L C 2.434 179.315 176.870 0.020 0.000 1.083 98 L CA 1.197 56.054 54.840 0.029 0.000 0.752 98 L CB -0.437 41.640 42.059 0.029 0.000 0.899 98 L HN 0.567 nan 8.230 nan 0.000 0.433 99 A N 0.119 122.950 122.820 0.018 0.000 1.883 99 A HA -0.216 4.103 4.320 -0.001 0.000 0.217 99 A C 2.327 179.920 177.584 0.014 0.000 1.186 99 A CA 2.169 54.214 52.037 0.013 0.000 0.624 99 A CB -0.658 18.348 19.000 0.011 0.000 0.822 99 A HN 0.503 nan 8.150 nan 0.000 0.444 100 S N -1.042 114.668 115.700 0.018 0.000 2.597 100 S HA 0.422 4.891 4.470 -0.001 0.000 0.224 100 S C 0.452 175.064 174.600 0.019 0.000 0.955 100 S CA 0.033 58.244 58.200 0.018 0.000 0.933 100 S CB -0.638 62.574 63.200 0.020 0.000 0.788 100 S HN 0.554 nan 8.310 nan 0.000 0.488 101 L N 2.092 123.326 121.223 0.019 0.000 3.965 101 L HA -0.206 4.133 4.340 -0.001 0.000 0.476 101 L C -0.044 176.840 176.870 0.022 0.000 1.201 101 L CA 0.552 55.403 54.840 0.018 0.000 0.710 101 L CB -2.263 39.804 42.059 0.013 0.000 1.509 101 L HN 0.739 nan 8.230 nan 0.000 0.815 102 S N -2.191 113.525 115.700 0.025 0.000 2.556 102 S HA 0.689 5.158 4.470 -0.001 0.000 0.271 102 S C -0.424 174.183 174.600 0.012 0.000 1.135 102 S CA -1.106 57.111 58.200 0.027 0.000 0.858 102 S CB 2.391 65.612 63.200 0.036 0.000 1.114 102 S HN -0.039 nan 8.310 nan 0.000 0.468 103 V N 2.935 122.829 119.914 -0.032 0.000 2.470 103 V HA 0.218 4.338 4.120 -0.001 0.000 0.276 103 V C 1.145 177.202 176.094 -0.062 0.000 1.040 103 V CA -0.118 62.114 62.300 -0.112 0.000 1.008 103 V CB 0.211 31.726 31.823 -0.512 0.000 0.990 103 V HN 0.903 nan 8.190 nan 0.000 0.477 104 I N 1.174 121.742 120.570 -0.004 0.000 4.018 104 I HA 0.544 4.713 4.170 -0.001 0.000 0.337 104 I C 0.501 176.624 176.117 0.011 0.000 1.327 104 I CA 0.235 61.542 61.300 0.012 0.000 1.100 104 I CB 0.478 38.496 38.000 0.030 0.000 1.025 104 I HN 0.641 nan 8.210 nan 0.000 0.396 105 E N 0.756 120.956 120.200 0.000 0.000 2.388 105 E HA 0.410 4.759 4.350 -0.001 0.000 0.289 105 E C -1.425 175.169 176.600 -0.010 0.000 0.944 105 E CA -0.371 56.032 56.400 0.006 0.000 0.792 105 E CB 2.273 31.987 29.700 0.023 0.000 1.239 105 E HN 0.116 nan 8.360 nan 0.000 0.412 106 T N 2.843 117.400 114.554 0.004 0.000 2.889 106 T HA 0.723 5.073 4.350 -0.001 0.000 0.315 106 T C -1.891 172.852 174.700 0.071 0.000 1.291 106 T CA -0.627 61.495 62.100 0.037 0.000 1.028 106 T CB 1.092 69.997 68.868 0.062 0.000 1.235 106 T HN 0.656 nan 8.240 nan 0.000 0.491 107 R N 1.337 121.882 120.500 0.075 0.000 2.709 107 R HA 0.797 5.136 4.340 -0.001 0.000 0.270 107 R C -1.870 174.463 176.300 0.056 0.000 1.038 107 R CA -1.149 54.995 56.100 0.073 0.000 0.872 107 R CB 0.854 31.184 30.300 0.050 0.000 1.259 107 R HN 0.717 nan 8.270 nan 0.000 0.473 108 A N 2.042 124.892 122.820 0.050 0.000 2.317 108 A HA 0.681 5.000 4.320 -0.001 0.000 0.327 108 A C -1.164 176.421 177.584 0.003 0.000 1.178 108 A CA -0.742 51.306 52.037 0.017 0.000 0.817 108 A CB 1.092 20.108 19.000 0.027 0.000 1.189 108 A HN 0.395 nan 8.150 nan 0.000 0.489 109 L N 2.707 123.913 121.223 -0.029 0.000 2.384 109 L HA 0.351 4.691 4.340 -0.001 0.000 0.261 109 L C 0.880 177.725 176.870 -0.042 0.000 1.024 109 L CA 0.268 55.090 54.840 -0.030 0.000 0.899 109 L CB 0.578 42.606 42.059 -0.051 0.000 1.243 109 L HN 0.921 nan 8.230 nan 0.000 0.449 110 E N 0.308 120.499 120.200 -0.015 0.000 2.427 110 E HA -0.038 4.311 4.350 -0.001 0.000 0.196 110 E C 0.462 177.065 176.600 0.005 0.000 1.028 110 E CA 0.887 57.281 56.400 -0.010 0.000 0.864 110 E CB 0.362 30.064 29.700 0.003 0.000 0.813 110 E HN 0.626 nan 8.360 nan 0.000 0.514 111 T N -1.370 113.194 114.554 0.016 0.000 3.313 111 T HA 0.441 4.790 4.350 -0.001 0.000 0.263 111 T C -0.194 174.538 174.700 0.055 0.000 0.983 111 T CA -0.445 61.681 62.100 0.044 0.000 0.963 111 T CB 0.234 69.136 68.868 0.057 0.000 1.141 111 T HN -0.177 nan 8.240 nan 0.000 0.526 112 V N 0.677 120.603 119.914 0.021 0.000 3.114 112 V HA 0.615 4.734 4.120 -0.001 0.000 0.308 112 V C -1.690 174.401 176.094 -0.006 0.000 1.168 112 V CA -0.788 61.525 62.300 0.023 0.000 1.015 112 V CB 2.580 34.390 31.823 -0.022 0.000 1.050 112 V HN 0.398 nan 8.190 nan 0.000 0.433 113 Q N 3.907 123.730 119.800 0.038 0.000 2.347 113 Q HA 0.525 4.864 4.340 -0.001 0.000 0.271 113 Q C -2.711 173.318 176.000 0.048 0.000 1.064 113 Q CA -1.808 54.009 55.803 0.023 0.000 0.800 113 Q CB 2.796 31.573 28.738 0.064 0.000 1.304 113 Q HN 0.481 nan 8.270 nan 0.000 0.438 114 P HA 0.279 nan 4.420 nan 0.000 0.279 114 P C 0.085 177.455 177.300 0.117 0.000 1.276 114 P CA -0.686 62.485 63.100 0.118 0.000 0.801 114 P CB 1.276 33.007 31.700 0.052 0.000 1.127 115 I N 0.075 120.741 120.570 0.160 0.000 2.932 115 I HA -0.070 4.099 4.170 -0.001 0.000 0.295 115 I C -0.069 176.129 176.117 0.135 0.000 1.227 115 I CA 0.005 61.379 61.300 0.123 0.000 1.429 115 I CB 0.069 38.197 38.000 0.213 0.000 1.339 115 I HN 0.129 nan 8.210 nan 0.000 0.589 116 L N 7.276 128.572 121.223 0.121 0.000 2.260 116 L HA 0.284 4.623 4.340 -0.001 0.000 0.289 116 L C 0.529 177.502 176.870 0.171 0.000 1.057 116 L CA -0.461 54.474 54.840 0.158 0.000 0.811 116 L CB 1.077 43.274 42.059 0.230 0.000 1.184 116 L HN 0.663 nan 8.230 nan 0.000 0.429 117 T N -0.779 113.794 114.554 0.032 0.000 2.847 117 T HA 0.196 4.545 4.350 -0.001 0.000 0.279 117 T C 1.458 176.104 174.700 -0.090 0.000 0.984 117 T CA -0.339 61.657 62.100 -0.174 0.000 0.988 117 T CB 1.541 70.206 68.868 -0.338 0.000 1.040 117 T HN 0.386 nan 8.240 nan 0.000 0.528 118 V N -0.575 119.255 119.914 -0.140 0.000 2.469 118 V HA -0.114 4.006 4.120 -0.001 0.000 0.251 118 V C 2.233 178.313 176.094 -0.022 0.000 1.064 118 V CA 1.824 64.098 62.300 -0.044 0.000 1.066 118 V CB -1.243 30.569 31.823 -0.019 0.000 0.667 118 V HN 0.944 nan 8.190 nan 0.000 0.461 119 E N 0.303 120.474 120.200 -0.048 0.000 2.047 119 E HA -0.192 4.158 4.350 -0.001 0.000 0.191 119 E C 2.092 178.693 176.600 0.002 0.000 0.987 119 E CA 1.490 57.881 56.400 -0.016 0.000 0.799 119 E CB -0.244 29.443 29.700 -0.021 0.000 0.752 119 E HN 0.648 nan 8.360 nan 0.000 0.449 120 D N 0.724 121.123 120.400 -0.001 0.000 2.133 120 D HA -0.180 4.460 4.640 -0.001 0.000 0.195 120 D C 2.090 178.419 176.300 0.048 0.000 0.997 120 D CA 0.996 55.011 54.000 0.026 0.000 0.840 120 D CB -0.125 40.698 40.800 0.038 0.000 0.947 120 D HN 0.187 nan 8.370 nan 0.000 0.452 121 L N 0.041 121.296 121.223 0.052 0.000 2.023 121 L HA -0.111 4.228 4.340 -0.001 0.000 0.205 121 L C 2.781 179.688 176.870 0.061 0.000 1.073 121 L CA 0.638 55.519 54.840 0.068 0.000 0.745 121 L CB -0.626 41.464 42.059 0.051 0.000 0.900 121 L HN 0.092 nan 8.230 nan 0.000 0.435 122 C N 0.294 119.621 119.300 0.046 0.000 2.403 122 C HA -0.170 4.290 4.460 -0.001 0.000 0.282 122 C C 3.269 178.285 174.990 0.043 0.000 1.297 122 C CA 1.442 60.488 59.018 0.047 0.000 1.785 122 C CB -0.909 26.854 27.740 0.039 0.000 1.963 122 C HN 0.705 nan 8.230 nan 0.000 0.507 123 S N -0.691 115.031 115.700 0.037 0.000 2.436 123 S HA -0.122 4.347 4.470 -0.001 0.000 0.228 123 S C 1.512 176.133 174.600 0.034 0.000 1.014 123 S CA 1.719 59.937 58.200 0.030 0.000 0.950 123 S CB -0.776 62.438 63.200 0.024 0.000 0.784 123 S HN 0.602 nan 8.310 nan 0.000 0.504 124 T N 2.380 116.962 114.554 0.048 0.000 2.720 124 T HA -0.147 4.202 4.350 -0.001 0.000 0.268 124 T C 1.670 176.402 174.700 0.052 0.000 1.037 124 T CA 1.811 63.944 62.100 0.054 0.000 1.144 124 T CB -0.473 68.441 68.868 0.077 0.000 0.864 124 T HN 0.670 nan 8.240 nan 0.000 0.444 125 E N 0.430 120.664 120.200 0.056 0.000 2.070 125 E HA -0.225 4.124 4.350 -0.001 0.000 0.197 125 E C 2.226 178.834 176.600 0.012 0.000 1.004 125 E CA 1.331 57.756 56.400 0.042 0.000 0.805 125 E CB -0.041 29.682 29.700 0.040 0.000 0.744 125 E HN 0.297 nan 8.360 nan 0.000 0.451 126 E N -0.217 119.987 120.200 0.007 0.000 2.153 126 E HA -0.139 4.210 4.350 -0.001 0.000 0.194 126 E C 1.943 178.548 176.600 0.008 0.000 0.988 126 E CA 0.936 57.335 56.400 -0.002 0.000 0.811 126 E CB -0.052 29.648 29.700 -0.001 0.000 0.746 126 E HN 0.289 nan 8.360 nan 0.000 0.466 127 V N 0.585 120.510 119.914 0.017 0.000 2.548 127 V HA -0.135 3.984 4.120 -0.001 0.000 0.249 127 V C 1.999 178.108 176.094 0.025 0.000 1.055 127 V CA 1.581 63.892 62.300 0.018 0.000 1.065 127 V CB -0.502 31.331 31.823 0.017 0.000 0.681 127 V HN 0.460 nan 8.190 nan 0.000 0.462 128 I N -1.510 119.082 120.570 0.037 0.000 2.500 128 I HA -0.029 4.140 4.170 -0.001 0.000 0.252 128 I C 2.653 178.801 176.117 0.052 0.000 1.142 128 I CA 1.281 62.615 61.300 0.056 0.000 1.451 128 I CB -0.673 37.377 38.000 0.084 0.000 1.093 128 I HN 0.110 nan 8.210 nan 0.000 0.430 129 R N 1.112 121.632 120.500 0.033 0.000 2.127 129 R HA -0.105 4.234 4.340 -0.001 0.000 0.238 129 R C 1.816 178.130 176.300 0.024 0.000 1.134 129 R CA 1.642 57.756 56.100 0.024 0.000 0.975 129 R CB -0.431 29.865 30.300 -0.006 0.000 0.865 129 R HN 0.567 nan 8.270 nan 0.000 0.447 130 N N 0.621 119.332 118.700 0.018 0.000 2.235 130 N HA -0.061 4.679 4.740 -0.001 0.000 0.209 130 N C -0.911 174.605 175.510 0.010 0.000 1.122 130 N CA -0.122 52.936 53.050 0.013 0.000 0.845 130 N CB 0.417 38.909 38.487 0.008 0.000 1.004 130 N HN 0.081 nan 8.380 nan 0.000 0.499 131 D N 0.362 120.770 120.400 0.014 0.000 2.280 131 D HA 0.202 4.842 4.640 -0.001 0.000 0.243 131 D C -1.655 174.640 176.300 -0.008 0.000 1.129 131 D CA -2.170 51.833 54.000 0.004 0.000 0.848 131 D CB 1.783 42.589 40.800 0.010 0.000 1.107 131 D HN -0.016 nan 8.370 nan 0.000 0.471 132 P HA -0.222 nan 4.420 nan 0.000 0.216 132 P C 0.885 178.154 177.300 -0.051 0.000 1.157 132 P CA 1.636 64.719 63.100 -0.028 0.000 0.880 132 P CB 0.134 31.818 31.700 -0.026 0.000 0.791 133 A N -0.830 121.954 122.820 -0.061 0.000 1.902 133 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 133 A C 2.360 179.861 177.584 -0.140 0.000 1.181 133 A CA 1.917 53.893 52.037 -0.102 0.000 0.623 133 A CB -1.714 17.224 19.000 -0.103 0.000 0.818 133 A HN 0.036 nan 8.150 nan 0.000 0.443 134 V N 0.207 120.070 119.914 -0.085 0.000 2.343 134 V HA -0.275 3.844 4.120 -0.001 0.000 0.247 134 V C 2.424 178.464 176.094 -0.089 0.000 1.051 134 V CA 2.048 64.306 62.300 -0.070 0.000 1.036 134 V CB -0.703 31.168 31.823 0.079 0.000 0.654 134 V HN 0.574 nan 8.190 nan 0.000 0.451 135 I N 0.104 120.648 120.570 -0.043 0.000 2.179 135 I HA -0.292 3.877 4.170 -0.001 0.000 0.242 135 I C 2.610 178.684 176.117 -0.073 0.000 1.088 135 I CA 2.126 63.409 61.300 -0.028 0.000 1.357 135 I CB -0.418 37.575 38.000 -0.012 0.000 1.051 135 I HN 0.424 nan 8.210 nan 0.000 0.409 136 E N 0.639 120.777 120.200 -0.103 0.000 2.085 136 E HA -0.290 4.060 4.350 -0.001 0.000 0.194 136 E C 2.205 178.696 176.600 -0.181 0.000 0.994 136 E CA 1.292 57.621 56.400 -0.119 0.000 0.801 136 E CB 0.060 29.689 29.700 -0.119 0.000 0.743 136 E HN 0.400 nan 8.360 nan 0.000 0.453 137 Q N 0.016 119.625 119.800 -0.317 0.000 2.170 137 Q HA -0.133 4.206 4.340 -0.001 0.000 0.203 137 Q C 2.383 178.167 176.000 -0.359 0.000 0.976 137 Q CA 1.244 56.719 55.803 -0.546 0.000 0.858 137 Q CB -0.617 27.369 28.738 -1.252 0.000 0.907 137 Q HN 0.456 nan 8.270 nan 0.000 0.433 138 C N -0.416 118.787 119.300 -0.161 0.000 2.446 138 C HA -0.046 4.413 4.460 -0.001 0.000 0.277 138 C C 2.846 177.834 174.990 -0.003 0.000 1.275 138 C CA 0.316 59.364 59.018 0.050 0.000 1.727 138 C CB -0.901 26.903 27.740 0.107 0.000 2.010 138 C HN 0.249 nan 8.230 nan 0.000 0.486 139 V N 0.651 120.542 119.914 -0.038 0.000 2.343 139 V HA -0.199 3.921 4.120 -0.001 0.000 0.247 139 V C 2.395 178.464 176.094 -0.042 0.000 1.051 139 V CA 1.647 63.926 62.300 -0.035 0.000 1.036 139 V CB -0.665 31.135 31.823 -0.038 0.000 0.654 139 V HN 0.403 nan 8.190 nan 0.000 0.451 140 L N 0.130 121.315 121.223 -0.064 0.000 2.127 140 L HA -0.118 4.221 4.340 -0.001 0.000 0.211 140 L C 2.378 179.230 176.870 -0.030 0.000 1.089 140 L CA 1.857 56.663 54.840 -0.057 0.000 0.757 140 L CB -0.842 41.163 42.059 -0.090 0.000 0.899 140 L HN 0.283 nan 8.230 nan 0.000 0.434 141 S N -0.860 114.834 115.700 -0.011 0.000 2.603 141 S HA 0.257 4.726 4.470 -0.001 0.000 0.220 141 S C 1.350 175.940 174.600 -0.015 0.000 0.967 141 S CA 0.656 58.871 58.200 0.025 0.000 0.920 141 S CB -0.017 63.259 63.200 0.126 0.000 0.773 141 S HN 0.647 nan 8.310 nan 0.000 0.529 142 G N 1.267 110.047 108.800 -0.033 0.000 2.138 142 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.193 142 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.193 142 G C -0.125 174.722 174.900 -0.089 0.000 0.998 142 G CA -0.509 44.557 45.100 -0.056 0.000 0.668 142 G HN 0.472 nan 8.290 nan 0.000 0.516 143 I N 1.311 121.838 120.570 -0.071 0.000 2.382 143 I HA 0.308 4.477 4.170 -0.001 0.000 0.286 143 I C -2.257 173.852 176.117 -0.013 0.000 1.002 143 I CA -2.514 58.742 61.300 -0.073 0.000 1.135 143 I CB 2.135 40.091 38.000 -0.074 0.000 1.288 143 I HN -0.177 nan 8.210 nan 0.000 0.448 144 P HA -0.030 nan 4.420 nan 0.000 0.264 144 P C 0.596 177.915 177.300 0.032 0.000 1.183 144 P CA 0.116 63.228 63.100 0.019 0.000 0.763 144 P CB 0.871 32.592 31.700 0.034 0.000 0.807 145 A N 4.156 126.990 122.820 0.023 0.000 2.076 145 A HA -0.219 4.100 4.320 -0.001 0.000 0.220 145 A C 1.549 179.162 177.584 0.048 0.000 1.160 145 A CA 1.818 53.871 52.037 0.027 0.000 0.653 145 A CB -1.287 17.720 19.000 0.012 0.000 0.801 145 A HN 0.797 nan 8.150 nan 0.000 0.455 146 N N -1.392 117.343 118.700 0.058 0.000 2.383 146 N HA 0.028 4.767 4.740 -0.001 0.000 0.192 146 N C 0.432 176.031 175.510 0.147 0.000 1.141 146 N CA 0.344 53.443 53.050 0.082 0.000 0.851 146 N CB 0.069 38.594 38.487 0.064 0.000 0.976 146 N HN 0.542 nan 8.380 nan 0.000 0.465 147 E N -0.036 120.240 120.200 0.126 0.000 2.734 147 E HA 0.183 4.532 4.350 -0.001 0.000 0.211 147 E C 0.749 177.347 176.600 -0.003 0.000 0.991 147 E CA -0.330 56.133 56.400 0.103 0.000 1.065 147 E CB 0.367 30.115 29.700 0.080 0.000 1.047 147 E HN 0.312 nan 8.360 nan 0.000 0.470 148 M N 0.836 120.481 119.600 0.075 0.000 2.346 148 M HA -0.145 4.335 4.480 -0.001 0.000 0.263 148 M C 1.942 178.229 176.300 -0.022 0.000 1.064 148 M CA 1.410 56.736 55.300 0.043 0.000 1.083 148 M CB -1.023 31.612 32.600 0.058 0.000 1.399 148 M HN 0.378 nan 8.290 nan 0.000 0.435 149 H N -0.969 118.090 119.070 -0.018 0.000 2.559 149 H HA 0.030 4.585 4.556 -0.001 0.000 0.273 149 H C 1.002 176.263 175.328 -0.111 0.000 1.000 149 H CA 0.731 56.727 56.048 -0.088 0.000 1.195 149 H CB -0.399 29.330 29.762 -0.055 0.000 1.368 149 H HN 0.362 nan 8.280 nan 0.000 0.592 150 K N 0.891 120.980 120.400 -0.519 0.000 2.374 150 K HA 0.209 4.528 4.320 -0.001 0.000 0.196 150 K C 0.023 176.644 176.600 0.036 0.000 1.023 150 K CA -0.089 56.032 56.287 -0.277 0.000 1.103 150 K CB 1.196 33.504 32.500 -0.321 0.000 0.848 150 K HN 0.003 nan 8.250 nan 0.000 0.528 151 V N 2.010 121.931 119.914 0.012 0.000 2.465 151 V HA 0.209 4.329 4.120 -0.001 0.000 0.279 151 V C -0.638 175.449 176.094 -0.011 0.000 1.045 151 V CA -0.433 61.960 62.300 0.156 0.000 0.938 151 V CB 0.368 32.272 31.823 0.135 0.000 0.986 151 V HN 0.037 nan 8.190 nan 0.000 0.467 152 Y N 2.649 122.995 120.300 0.077 0.000 2.665 152 Y HA 0.800 5.349 4.550 -0.001 0.000 0.336 152 Y C 0.183 176.155 175.900 0.119 0.000 1.085 152 Y CA -1.020 57.125 58.100 0.075 0.000 1.096 152 Y CB 2.046 40.528 38.460 0.037 0.000 1.301 152 Y HN 0.866 nan 8.280 nan 0.000 0.493 153 C N -1.080 118.406 119.300 0.310 0.000 3.241 153 C HA 0.593 5.052 4.460 -0.001 0.000 0.348 153 C C -1.893 173.275 174.990 0.297 0.000 1.180 153 C CA -0.998 58.186 59.018 0.276 0.000 1.273 153 C CB 1.265 29.096 27.740 0.152 0.000 1.620 153 C HN 0.753 nan 8.230 nan 0.000 0.510 154 D N 4.519 125.146 120.400 0.379 0.000 2.317 154 D HA 0.477 5.116 4.640 -0.001 0.000 0.234 154 D C -2.285 174.280 176.300 0.441 0.000 1.112 154 D CA -1.143 53.109 54.000 0.420 0.000 0.840 154 D CB 1.837 43.004 40.800 0.610 0.000 1.078 154 D HN 0.579 nan 8.370 nan 0.000 0.486 155 P HA 0.176 nan 4.420 nan 0.000 0.286 155 P C -0.713 176.848 177.300 0.435 0.000 1.321 155 P CA -0.485 62.801 63.100 0.310 0.000 0.790 155 P CB 0.356 32.171 31.700 0.192 0.000 0.897 156 W N 1.801 123.187 121.300 0.143 0.000 2.481 156 W HA 0.363 5.022 4.660 -0.001 0.000 0.369 156 W C 0.687 177.330 176.519 0.206 0.000 1.235 156 W CA -0.368 57.114 57.345 0.228 0.000 1.344 156 W CB 0.139 29.707 29.460 0.181 0.000 1.360 156 W HN 0.150 nan 8.180 nan 0.000 0.658 157 T N 1.780 116.612 114.554 0.462 0.000 2.813 157 T HA 0.062 4.411 4.350 -0.001 0.000 0.297 157 T C 1.147 175.977 174.700 0.218 0.000 1.036 157 T CA -0.466 61.765 62.100 0.218 0.000 1.044 157 T CB 0.662 69.570 68.868 0.066 0.000 0.993 157 T HN 0.465 nan 8.240 nan 0.000 0.535 158 I N 0.421 121.066 120.570 0.125 0.000 3.291 158 I HA 0.076 4.245 4.170 -0.001 0.000 0.279 158 I C 1.699 177.860 176.117 0.074 0.000 1.294 158 I CA 1.113 62.465 61.300 0.087 0.000 1.428 158 I CB -0.888 37.142 38.000 0.050 0.000 1.070 158 I HN 1.033 nan 8.210 nan 0.000 0.478 159 G N 1.012 109.855 108.800 0.072 0.000 5.306 159 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.318 159 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.318 159 G C 0.047 175.057 174.900 0.182 0.000 1.413 159 G CA 0.614 45.716 45.100 0.002 0.000 0.981 159 G HN 0.469 nan 8.290 nan 0.000 0.788 160 Y N 1.543 121.877 120.300 0.057 0.000 2.409 160 Y HA 0.552 5.101 4.550 -0.001 0.000 0.321 160 Y C -2.295 173.655 175.900 0.082 0.000 1.209 160 Y CA -0.515 57.635 58.100 0.083 0.000 1.086 160 Y CB 1.907 40.408 38.460 0.069 0.000 1.320 160 Y HN 0.454 nan 8.280 nan 0.000 0.440 161 D N 5.605 125.534 120.400 -0.786 0.000 2.686 161 D HA 0.126 4.766 4.640 -0.001 0.000 0.249 161 D C 0.557 176.384 176.300 -0.789 0.000 1.260 161 D CA -0.234 53.447 54.000 -0.531 0.000 0.910 161 D CB 1.498 42.284 40.800 -0.024 0.000 1.323 161 D HN 0.847 nan 8.370 nan 0.000 0.561 162 E N 3.639 123.443 120.200 -0.659 0.000 2.396 162 E HA -0.201 4.148 4.350 -0.001 0.000 0.200 162 E C 0.815 177.189 176.600 -0.378 0.000 1.023 162 E CA 0.716 56.884 56.400 -0.387 0.000 0.857 162 E CB -0.028 29.601 29.700 -0.118 0.000 0.775 162 E HN 0.481 nan 8.360 nan 0.000 0.525 163 R N -0.821 119.342 120.500 -0.561 0.000 2.193 163 R HA 0.035 4.374 4.340 -0.001 0.000 0.213 163 R C 1.360 177.049 176.300 -1.018 0.000 1.055 163 R CA 1.230 56.768 56.100 -0.936 0.000 0.995 163 R CB 0.056 29.398 30.300 -1.598 0.000 0.893 163 R HN 0.336 nan 8.270 nan 0.000 0.459 164 W N -0.716 120.479 121.300 -0.174 0.000 2.661 164 W HA 0.320 4.979 4.660 -0.001 0.000 0.288 164 W C 1.037 177.514 176.519 -0.070 0.000 1.014 164 W CA 0.460 57.739 57.345 -0.109 0.000 1.396 164 W CB -0.045 29.357 29.460 -0.097 0.000 0.963 164 W HN 0.215 nan 8.180 nan 0.000 0.584 165 G N 2.117 110.950 108.800 0.055 0.000 2.611 165 G HA2 -0.423 3.536 3.960 -0.001 0.000 0.301 165 G HA3 -0.423 3.536 3.960 -0.001 0.000 0.301 165 G C 0.740 175.764 174.900 0.206 0.000 1.233 165 G CA 2.240 47.437 45.100 0.161 0.000 0.993 165 G HN 0.174 nan 8.290 nan 0.000 0.553 166 T N -1.896 112.774 114.554 0.195 0.000 3.174 166 T HA 0.519 4.869 4.350 -0.001 0.000 0.269 166 T C 2.059 176.829 174.700 0.115 0.000 1.017 166 T CA 0.972 63.169 62.100 0.160 0.000 0.899 166 T CB 0.685 69.648 68.868 0.159 0.000 1.077 166 T HN 1.628 nan 8.240 nan 0.000 0.552 167 G N 1.819 110.695 108.800 0.126 0.000 2.450 167 G HA2 0.003 3.962 3.960 -0.001 0.000 0.220 167 G HA3 0.003 3.962 3.960 -0.001 0.000 0.220 167 G C 0.400 175.346 174.900 0.077 0.000 1.130 167 G CA 0.276 45.438 45.100 0.103 0.000 0.760 167 G HN 0.530 nan 8.290 nan 0.000 0.557 168 K N -0.954 119.488 120.400 0.071 0.000 2.469 168 K HA 0.421 4.740 4.320 -0.001 0.000 0.254 168 K C -0.719 175.883 176.600 0.004 0.000 0.939 168 K CA -0.900 55.395 56.287 0.014 0.000 0.812 168 K CB 2.358 34.835 32.500 -0.038 0.000 1.301 168 K HN -0.030 nan 8.250 nan 0.000 0.433 169 R N 2.695 123.190 120.500 -0.009 0.000 2.296 169 R HA 0.205 4.544 4.340 -0.001 0.000 0.323 169 R C -1.068 175.216 176.300 -0.026 0.000 1.067 169 R CA -0.289 55.810 56.100 -0.002 0.000 0.946 169 R CB 0.202 30.500 30.300 -0.003 0.000 0.991 169 R HN 0.272 nan 8.270 nan 0.000 0.448 170 L N 3.246 124.457 121.223 -0.020 0.000 2.341 170 L HA 0.462 4.801 4.340 -0.001 0.000 0.267 170 L C -0.293 176.579 176.870 0.003 0.000 1.009 170 L CA -0.573 54.233 54.840 -0.057 0.000 0.819 170 L CB 2.002 43.982 42.059 -0.132 0.000 1.323 170 L HN 0.660 nan 8.230 nan 0.000 0.425 171 Q N 1.170 120.973 119.800 0.005 0.000 2.433 171 Q HA 0.615 4.954 4.340 -0.001 0.000 0.279 171 Q C -1.278 174.756 176.000 0.057 0.000 1.105 171 Q CA -0.839 55.009 55.803 0.076 0.000 0.815 171 Q CB 3.195 31.994 28.738 0.103 0.000 1.403 171 Q HN 0.610 nan 8.270 nan 0.000 0.435 172 Q N -0.048 119.817 119.800 0.109 0.000 2.353 172 Q HA 0.795 5.134 4.340 -0.001 0.000 0.268 172 Q C -1.536 174.509 176.000 0.075 0.000 1.045 172 Q CA -0.975 54.863 55.803 0.058 0.000 0.811 172 Q CB 1.905 30.653 28.738 0.017 0.000 1.305 172 Q HN 0.544 nan 8.270 nan 0.000 0.447 173 A N 4.735 127.580 122.820 0.040 0.000 2.249 173 A HA 0.464 4.784 4.320 -0.001 0.000 0.314 173 A C -0.408 177.145 177.584 -0.052 0.000 1.290 173 A CA -0.816 51.249 52.037 0.047 0.000 0.893 173 A CB 0.433 19.472 19.000 0.065 0.000 1.165 173 A HN 0.839 nan 8.150 nan 0.000 0.530 174 L N 4.143 125.330 121.223 -0.059 0.000 2.295 174 L HA 0.220 4.559 4.340 -0.001 0.000 0.288 174 L C -0.369 176.401 176.870 -0.167 0.000 1.079 174 L CA -0.497 54.244 54.840 -0.165 0.000 0.830 174 L CB 0.725 42.704 42.059 -0.133 0.000 1.200 174 L HN 0.426 nan 8.230 nan 0.000 0.438 175 V N 4.309 123.997 119.914 -0.376 0.000 2.583 175 V HA 0.242 4.361 4.120 -0.001 0.000 0.287 175 V C -0.297 175.456 176.094 -0.569 0.000 1.051 175 V CA -0.119 61.967 62.300 -0.357 0.000 1.010 175 V CB 0.690 32.210 31.823 -0.505 0.000 0.988 175 V HN 0.424 nan 8.190 nan 0.000 0.478 176 Y N 2.857 123.170 120.300 0.022 0.000 2.665 176 Y HA 0.665 5.214 4.550 -0.001 0.000 0.336 176 Y C -0.757 175.268 175.900 0.210 0.000 1.085 176 Y CA -1.011 57.127 58.100 0.062 0.000 1.096 176 Y CB 1.972 40.391 38.460 -0.070 0.000 1.301 176 Y HN 0.578 nan 8.280 nan 0.000 0.493 177 Y N 0.960 121.430 120.300 0.282 0.000 2.433 177 Y HA 0.630 5.179 4.550 -0.001 0.000 0.337 177 Y C -1.377 174.659 175.900 0.227 0.000 1.026 177 Y CA -1.258 56.986 58.100 0.240 0.000 1.037 177 Y CB 1.331 39.911 38.460 0.199 0.000 1.245 177 Y HN 0.538 nan 8.280 nan 0.000 0.443 178 R N 3.340 123.459 120.500 -0.634 0.000 2.445 178 R HA 0.324 4.663 4.340 -0.001 0.000 0.308 178 R C 0.556 176.170 176.300 -1.143 0.000 0.961 178 R CA -0.038 55.581 56.100 -0.803 0.000 0.862 178 R CB 1.766 31.672 30.300 -0.655 0.000 1.144 178 R HN 0.888 nan 8.270 nan 0.000 0.447 179 S N 0.227 115.277 115.700 -1.084 0.000 2.470 179 S HA -0.063 4.407 4.470 -0.001 0.000 0.225 179 S C 0.385 174.755 174.600 -0.383 0.000 1.006 179 S CA 0.467 58.319 58.200 -0.579 0.000 0.934 179 S CB 0.043 63.109 63.200 -0.222 0.000 0.778 179 S HN 0.668 nan 8.310 nan 0.000 0.517 180 D N 0.402 120.535 120.400 -0.445 0.000 2.857 180 D HA 0.237 4.876 4.640 -0.001 0.000 0.227 180 D C 0.660 176.796 176.300 -0.273 0.000 1.192 180 D CA -0.571 53.273 54.000 -0.259 0.000 0.857 180 D CB 1.620 42.303 40.800 -0.195 0.000 1.645 180 D HN 0.164 nan 8.370 nan 0.000 0.482 181 E N 1.415 121.526 120.200 -0.149 0.000 2.267 181 E HA -0.216 4.134 4.350 -0.001 0.000 0.197 181 E C 0.189 176.671 176.600 -0.196 0.000 0.998 181 E CA 1.025 57.351 56.400 -0.124 0.000 0.830 181 E CB 0.024 29.720 29.700 -0.007 0.000 0.751 181 E HN 0.349 nan 8.360 nan 0.000 0.491 182 D N 1.071 121.355 120.400 -0.193 0.000 2.340 182 D HA 0.034 4.673 4.640 -0.001 0.000 0.220 182 D C -0.129 176.041 176.300 -0.217 0.000 1.039 182 D CA 0.179 54.059 54.000 -0.200 0.000 0.866 182 D CB -0.033 40.660 40.800 -0.178 0.000 0.913 182 D HN 0.169 nan 8.370 nan 0.000 0.523 183 D N 0.023 120.230 120.400 -0.322 0.000 2.363 183 D HA 0.005 4.644 4.640 -0.001 0.000 0.240 183 D C 0.157 176.238 176.300 -0.366 0.000 1.236 183 D CA 0.287 54.032 54.000 -0.425 0.000 0.927 183 D CB 0.793 41.216 40.800 -0.628 0.000 1.150 183 D HN -0.205 nan 8.370 nan 0.000 0.458 184 S N -0.102 115.405 115.700 -0.321 0.000 2.461 184 S HA 0.047 4.516 4.470 -0.001 0.000 0.322 184 S C 1.215 175.766 174.600 -0.081 0.000 1.063 184 S CA -0.697 57.395 58.200 -0.181 0.000 1.120 184 S CB 0.385 63.492 63.200 -0.154 0.000 0.968 184 S HN 0.346 nan 8.310 nan 0.000 0.467 185 Q N 3.876 123.508 119.800 -0.279 0.000 2.308 185 Q HA -0.211 4.128 4.340 -0.001 0.000 0.209 185 Q C 0.455 176.335 176.000 -0.202 0.000 0.985 185 Q CA 1.788 57.430 55.803 -0.268 0.000 0.881 185 Q CB -0.711 27.703 28.738 -0.542 0.000 0.917 185 Q HN 0.871 nan 8.270 nan 0.000 0.443 186 Y N 2.170 122.431 120.300 -0.065 0.000 2.465 186 Y HA -0.148 4.401 4.550 -0.001 0.000 0.289 186 Y C 2.610 178.706 175.900 0.326 0.000 1.150 186 Y CA 1.304 59.419 58.100 0.026 0.000 1.293 186 Y CB -0.190 38.285 38.460 0.025 0.000 0.977 186 Y HN 0.391 nan 8.280 nan 0.000 0.556 187 S N -1.830 114.115 115.700 0.409 0.000 2.558 187 S HA -0.019 4.451 4.470 -0.001 0.000 0.217 187 S C 0.131 174.763 174.600 0.053 0.000 0.975 187 S CA 0.216 58.606 58.200 0.317 0.000 0.912 187 S CB -0.383 62.904 63.200 0.145 0.000 0.776 187 S HN 0.448 nan 8.310 nan 0.000 0.526 188 H N 2.286 121.431 119.070 0.126 0.000 2.336 188 H HA 0.462 5.018 4.556 -0.001 0.000 0.230 188 H C -2.798 172.650 175.328 0.200 0.000 1.426 188 H CA -1.697 54.426 56.048 0.125 0.000 1.359 188 H CB 0.889 30.715 29.762 0.106 0.000 1.555 188 H HN 0.360 nan 8.280 nan 0.000 0.512 189 P HA 0.137 nan 4.420 nan 0.000 0.279 189 P C -0.180 176.977 177.300 -0.238 0.000 1.252 189 P CA -0.380 62.602 63.100 -0.197 0.000 0.811 189 P CB 2.061 33.610 31.700 -0.251 0.000 1.035 190 L N 1.422 122.433 121.223 -0.352 0.000 2.358 190 L HA 0.263 4.602 4.340 -0.001 0.000 0.268 190 L C 1.694 178.386 176.870 -0.297 0.000 1.032 190 L CA -0.527 54.142 54.840 -0.284 0.000 0.805 190 L CB 0.874 42.712 42.059 -0.368 0.000 1.253 190 L HN 0.381 nan 8.230 nan 0.000 0.452 191 D N -0.297 120.043 120.400 -0.101 0.000 2.347 191 D HA -0.061 4.578 4.640 -0.001 0.000 0.213 191 D C 0.177 176.635 176.300 0.264 0.000 0.985 191 D CA 0.343 54.379 54.000 0.061 0.000 0.879 191 D CB -0.110 40.756 40.800 0.109 0.000 0.919 191 D HN 0.230 nan 8.370 nan 0.000 0.526 192 F N -0.567 119.445 119.950 0.102 0.000 2.497 192 F HA 0.612 5.138 4.527 -0.001 0.000 0.331 192 F C -0.545 175.294 175.800 0.064 0.000 1.060 192 F CA -2.180 55.872 58.000 0.088 0.000 0.989 192 F CB 1.124 40.149 39.000 0.042 0.000 1.245 192 F HN -0.118 nan 8.300 nan 0.000 0.486 193 C N 3.820 123.246 119.300 0.210 0.000 2.407 193 C HA 0.635 5.094 4.460 -0.001 0.000 0.328 193 C C -2.872 172.230 174.990 0.187 0.000 1.137 193 C CA -1.980 57.086 59.018 0.081 0.000 1.390 193 C CB 0.528 28.266 27.740 -0.004 0.000 1.989 193 C HN 0.685 nan 8.230 nan 0.000 0.432 194 P HA 0.359 nan 4.420 nan 0.000 0.279 194 P C -0.732 176.626 177.300 0.097 0.000 1.239 194 P CA -0.167 63.033 63.100 0.166 0.000 0.789 194 P CB 0.516 32.317 31.700 0.167 0.000 0.933 195 I N 3.628 124.246 120.570 0.080 0.000 2.339 195 I HA 0.278 4.447 4.170 -0.001 0.000 0.290 195 I C -0.108 175.960 176.117 -0.081 0.000 0.994 195 I CA -0.631 60.646 61.300 -0.037 0.000 1.191 195 I CB 1.229 39.132 38.000 -0.161 0.000 1.343 195 I HN 0.042 nan 8.210 nan 0.000 0.458 196 V N 5.121 124.989 119.914 -0.076 0.000 2.555 196 V HA 0.282 4.401 4.120 -0.001 0.000 0.302 196 V C 0.044 176.083 176.094 -0.091 0.000 1.038 196 V CA -0.813 61.451 62.300 -0.061 0.000 0.887 196 V CB 2.351 34.172 31.823 -0.003 0.000 0.991 196 V HN 0.613 nan 8.190 nan 0.000 0.434 197 D N 3.121 123.465 120.400 -0.093 0.000 2.374 197 D HA 0.104 4.743 4.640 -0.001 0.000 0.240 197 D C 1.258 177.534 176.300 -0.041 0.000 1.229 197 D CA 0.162 54.110 54.000 -0.088 0.000 0.895 197 D CB 1.580 42.330 40.800 -0.082 0.000 1.046 197 D HN 0.630 nan 8.370 nan 0.000 0.498 198 T N 2.994 117.532 114.554 -0.027 0.000 2.635 198 T HA -0.175 4.174 4.350 -0.001 0.000 0.267 198 T C 0.743 175.439 174.700 -0.007 0.000 1.040 198 T CA 1.129 63.226 62.100 -0.004 0.000 1.156 198 T CB 0.099 68.973 68.868 0.010 0.000 0.863 198 T HN 0.456 nan 8.240 nan 0.000 0.430 199 E N 1.314 121.505 120.200 -0.015 0.000 2.341 199 E HA 0.223 4.572 4.350 -0.001 0.000 0.279 199 E C 0.318 176.908 176.600 -0.017 0.000 1.395 199 E CA 0.079 56.469 56.400 -0.016 0.000 1.648 199 E CB 0.415 30.102 29.700 -0.022 0.000 1.524 199 E HN 0.465 nan 8.360 nan 0.000 0.462 200 E N -0.101 120.090 120.200 -0.015 0.000 2.267 200 E HA -0.006 4.343 4.350 -0.001 0.000 0.186 200 E C -0.388 176.205 176.600 -0.011 0.000 0.954 200 E CA -0.011 56.381 56.400 -0.014 0.000 1.414 200 E CB 0.268 29.956 29.700 -0.020 0.000 2.698 200 E HN 0.174 nan 8.360 nan 0.000 0.927 201 K N 1.726 122.121 120.400 -0.009 0.000 3.278 201 K HA -0.240 4.079 4.320 -0.001 0.000 0.270 201 K C -0.336 176.261 176.600 -0.004 0.000 0.955 201 K CA 1.328 57.612 56.287 -0.004 0.000 0.723 201 K CB -1.479 31.022 32.500 0.001 0.000 1.382 201 K HN 0.264 nan 8.250 nan 0.000 0.461 202 K N -2.282 118.111 120.400 -0.011 0.000 2.527 202 K HA 0.485 4.804 4.320 -0.001 0.000 0.260 202 K C -0.531 176.058 176.600 -0.018 0.000 0.937 202 K CA -1.200 55.081 56.287 -0.010 0.000 0.826 202 K CB 1.781 34.276 32.500 -0.009 0.000 1.359 202 K HN -0.099 nan 8.250 nan 0.000 0.434 203 V N 4.076 123.985 119.914 -0.007 0.000 2.470 203 V HA 0.084 4.204 4.120 -0.001 0.000 0.276 203 V C 1.222 177.312 176.094 -0.007 0.000 1.040 203 V CA -0.204 62.093 62.300 -0.006 0.000 1.008 203 V CB 0.317 32.147 31.823 0.012 0.000 0.990 203 V HN 0.885 nan 8.190 nan 0.000 0.477 204 I N 1.791 122.345 120.570 -0.026 0.000 3.941 204 I HA 0.524 4.693 4.170 -0.001 0.000 0.321 204 I C 0.116 176.338 176.117 0.174 0.000 1.284 204 I CA 0.526 61.832 61.300 0.010 0.000 1.226 204 I CB 0.395 38.330 38.000 -0.108 0.000 1.045 204 I HN 0.463 nan 8.210 nan 0.000 0.420 205 F N 0.937 120.861 119.950 -0.043 0.000 2.746 205 F HA 0.588 5.115 4.527 -0.001 0.000 0.311 205 F C -2.015 173.824 175.800 0.065 0.000 1.135 205 F CA -1.033 57.001 58.000 0.057 0.000 0.954 205 F CB 1.522 40.634 39.000 0.187 0.000 1.276 205 F HN -0.229 nan 8.300 nan 0.000 0.440 206 I N 3.889 124.304 120.570 -0.259 0.000 2.478 206 I HA 0.280 4.449 4.170 -0.001 0.000 0.287 206 I C -1.285 174.880 176.117 0.080 0.000 1.042 206 I CA -0.810 60.496 61.300 0.009 0.000 1.067 206 I CB 1.753 39.713 38.000 -0.066 0.000 1.233 206 I HN 0.357 nan 8.210 nan 0.000 0.431 207 D N 7.766 128.389 120.400 0.372 0.000 2.339 207 D HA 0.411 5.050 4.640 -0.001 0.000 0.256 207 D C -0.239 176.228 176.300 0.279 0.000 1.214 207 D CA 0.374 54.632 54.000 0.430 0.000 0.877 207 D CB 1.505 42.570 40.800 0.440 0.000 1.111 207 D HN 0.305 nan 8.370 nan 0.000 0.478 208 I N 4.548 125.242 120.570 0.207 0.000 2.436 208 I HA 0.236 4.405 4.170 -0.001 0.000 0.289 208 I C -1.901 174.305 176.117 0.148 0.000 1.010 208 I CA -1.908 59.488 61.300 0.160 0.000 1.098 208 I CB 2.102 40.132 38.000 0.050 0.000 1.266 208 I HN 0.078 nan 8.210 nan 0.000 0.434 209 P HA 0.208 nan 4.420 nan 0.000 0.274 209 P C -0.238 177.121 177.300 0.098 0.000 1.237 209 P CA -0.355 62.833 63.100 0.147 0.000 0.793 209 P CB 1.148 32.968 31.700 0.199 0.000 0.977 210 N N 0.724 119.470 118.700 0.077 0.000 2.216 210 N HA -0.054 4.686 4.740 -0.001 0.000 0.183 210 N C 0.620 176.164 175.510 0.057 0.000 1.017 210 N CA 0.899 53.980 53.050 0.051 0.000 0.861 210 N CB -0.087 38.422 38.487 0.036 0.000 0.986 210 N HN 0.469 nan 8.380 nan 0.000 0.428 211 R N 1.975 122.522 120.500 0.079 0.000 2.196 211 R HA 0.284 4.623 4.340 -0.001 0.000 0.340 211 R C -0.266 176.085 176.300 0.085 0.000 1.043 211 R CA -0.330 55.815 56.100 0.076 0.000 0.883 211 R CB 0.342 30.695 30.300 0.088 0.000 1.078 211 R HN -0.151 nan 8.270 nan 0.000 0.462 212 R N 2.922 123.459 120.500 0.061 0.000 2.410 212 R HA 0.385 4.724 4.340 -0.001 0.000 0.288 212 R C -0.270 176.056 176.300 0.042 0.000 1.051 212 R CA -0.820 55.315 56.100 0.060 0.000 1.021 212 R CB 0.771 31.095 30.300 0.040 0.000 1.032 212 R HN 0.500 nan 8.270 nan 0.000 0.481 213 R N 1.414 121.935 120.500 0.037 0.000 2.502 213 R HA 0.329 4.668 4.340 -0.001 0.000 0.300 213 R C -0.376 175.922 176.300 -0.004 0.000 0.984 213 R CA -0.511 55.589 56.100 -0.000 0.000 0.882 213 R CB 1.867 32.142 30.300 -0.041 0.000 1.180 213 R HN 0.354 nan 8.270 nan 0.000 0.444 214 K N 1.241 121.636 120.400 -0.008 0.000 2.107 214 K HA 0.336 4.655 4.320 -0.001 0.000 0.251 214 K C -0.085 176.499 176.600 -0.027 0.000 1.012 214 K CA -0.858 55.423 56.287 -0.010 0.000 0.920 214 K CB 0.845 33.335 32.500 -0.015 0.000 1.033 214 K HN 0.222 nan 8.250 nan 0.000 0.478 215 V N 0.998 120.891 119.914 -0.035 0.000 2.843 215 V HA -0.112 4.007 4.120 -0.001 0.000 0.305 215 V C 0.741 176.839 176.094 0.007 0.000 1.120 215 V CA -0.118 62.164 62.300 -0.029 0.000 1.254 215 V CB 0.574 32.331 31.823 -0.110 0.000 0.901 215 V HN 0.802 nan 8.190 nan 0.000 0.503 216 S N 2.804 118.515 115.700 0.018 0.000 2.549 216 S HA 0.112 4.581 4.470 -0.001 0.000 0.286 216 S C 0.801 175.494 174.600 0.155 0.000 1.314 216 S CA -0.190 58.020 58.200 0.017 0.000 1.062 216 S CB 0.280 63.330 63.200 -0.251 0.000 0.865 216 S HN 0.793 nan 8.310 nan 0.000 0.498 217 K N 2.344 122.778 120.400 0.057 0.000 2.404 217 K HA 0.129 4.448 4.320 -0.001 0.000 0.194 217 K C -0.001 176.612 176.600 0.020 0.000 1.023 217 K CA 0.029 56.329 56.287 0.022 0.000 1.094 217 K CB 0.069 32.514 32.500 -0.092 0.000 0.841 217 K HN 0.702 nan 8.250 nan 0.000 0.523 218 H N 1.106 120.278 119.070 0.170 0.000 2.597 218 H HA 0.069 4.624 4.556 -0.001 0.000 0.370 218 H C 0.066 175.602 175.328 0.347 0.000 1.281 218 H CA -0.184 55.973 56.048 0.182 0.000 1.422 218 H CB 0.528 30.336 29.762 0.076 0.000 1.524 218 H HN -0.020 nan 8.280 nan 0.000 0.607 219 K N 0.318 120.985 120.400 0.446 0.000 2.154 219 K HA 0.208 4.527 4.320 -0.001 0.000 0.264 219 K C -0.727 176.163 176.600 0.483 0.000 1.008 219 K CA -0.680 55.848 56.287 0.401 0.000 0.937 219 K CB 0.455 33.122 32.500 0.279 0.000 1.002 219 K HN 0.499 nan 8.250 nan 0.000 0.469 220 H N 0.133 119.336 119.070 0.222 0.000 2.897 220 H HA 0.117 4.672 4.556 -0.001 0.000 0.347 220 H C -0.238 175.086 175.328 -0.006 0.000 1.068 220 H CA 0.591 56.722 56.048 0.139 0.000 1.426 220 H CB 0.645 30.336 29.762 -0.117 0.000 1.410 220 H HN 0.752 nan 8.280 nan 0.000 0.597 221 A N 4.502 127.237 122.820 -0.141 0.000 2.527 221 A HA 0.198 4.517 4.320 -0.001 0.000 0.313 221 A C 0.003 177.408 177.584 -0.298 0.000 1.410 221 A CA -0.708 51.119 52.037 -0.350 0.000 1.060 221 A CB -0.488 18.034 19.000 -0.796 0.000 1.137 221 A HN 0.665 nan 8.150 nan 0.000 0.542 222 N N 0.917 119.447 118.700 -0.284 0.000 2.485 222 N HA 0.634 5.374 4.740 -0.001 0.000 0.280 222 N C -0.119 175.240 175.510 -0.252 0.000 1.205 222 N CA -0.329 52.410 53.050 -0.519 0.000 0.959 222 N CB 1.102 38.939 38.487 -1.083 0.000 1.206 222 N HN 0.591 nan 8.380 nan 0.000 0.545 223 F N -2.420 117.481 119.950 -0.081 0.000 2.915 223 F HA 0.439 4.966 4.527 -0.001 0.000 0.347 223 F C -0.302 175.521 175.800 0.038 0.000 1.104 223 F CA -0.824 57.152 58.000 -0.040 0.000 1.126 223 F CB -0.599 38.298 39.000 -0.171 0.000 1.145 223 F HN 0.192 nan 8.300 nan 0.000 0.541 224 Y N 2.650 123.093 120.300 0.239 0.000 2.314 224 Y HA 0.320 4.869 4.550 -0.001 0.000 0.334 224 Y C -1.027 174.932 175.900 0.099 0.000 1.266 224 Y CA -1.508 56.709 58.100 0.195 0.000 1.391 224 Y CB 0.173 38.670 38.460 0.061 0.000 1.306 224 Y HN -0.226 nan 8.280 nan 0.000 0.558 225 P HA -0.284 nan 4.420 nan 0.000 0.216 225 P C 1.110 178.437 177.300 0.045 0.000 1.157 225 P CA 2.777 65.937 63.100 0.099 0.000 0.880 225 P CB 0.107 31.854 31.700 0.079 0.000 0.791 226 K N -1.010 119.367 120.400 -0.038 0.000 2.103 226 K HA -0.214 4.106 4.320 -0.001 0.000 0.207 226 K C 1.727 178.266 176.600 -0.101 0.000 1.048 226 K CA 1.762 57.975 56.287 -0.122 0.000 0.930 226 K CB -1.168 31.188 32.500 -0.240 0.000 0.716 226 K HN 0.265 nan 8.250 nan 0.000 0.444 227 H N -0.075 119.019 119.070 0.039 0.000 2.363 227 H HA 0.067 4.623 4.556 -0.001 0.000 0.301 227 H C 2.119 177.470 175.328 0.037 0.000 1.074 227 H CA 1.422 57.484 56.048 0.023 0.000 1.354 227 H CB 0.075 29.838 29.762 0.001 0.000 1.397 227 H HN 0.081 nan 8.280 nan 0.000 0.516 228 M N 0.191 119.894 119.600 0.172 0.000 2.117 228 M HA -0.111 4.368 4.480 -0.001 0.000 0.262 228 M C 2.292 178.641 176.300 0.081 0.000 1.065 228 M CA 1.271 56.640 55.300 0.116 0.000 1.114 228 M CB -0.674 31.985 32.600 0.099 0.000 1.361 228 M HN 0.319 nan 8.290 nan 0.000 0.408 229 I N -0.261 120.347 120.570 0.062 0.000 2.264 229 I HA -0.294 3.875 4.170 -0.001 0.000 0.248 229 I C 2.506 178.651 176.117 0.047 0.000 1.111 229 I CA 1.314 62.640 61.300 0.043 0.000 1.382 229 I CB -0.357 37.658 38.000 0.024 0.000 1.060 229 I HN 0.423 nan 8.210 nan 0.000 0.418 230 E N 0.959 121.194 120.200 0.058 0.000 2.112 230 E HA -0.230 4.119 4.350 -0.001 0.000 0.190 230 E C 2.149 178.793 176.600 0.073 0.000 0.979 230 E CA 0.824 57.261 56.400 0.062 0.000 0.814 230 E CB 0.220 29.962 29.700 0.071 0.000 0.762 230 E HN 0.330 nan 8.360 nan 0.000 0.460 231 K N 0.425 120.877 120.400 0.087 0.000 1.991 231 K HA -0.056 4.263 4.320 -0.001 0.000 0.207 231 K C 1.263 177.908 176.600 0.074 0.000 1.045 231 K CA 1.286 57.627 56.287 0.090 0.000 0.937 231 K CB 0.160 32.721 32.500 0.102 0.000 0.720 231 K HN 0.074 nan 8.250 nan 0.000 0.438 232 V N -2.737 117.217 119.914 0.067 0.000 3.369 232 V HA 0.499 4.618 4.120 -0.001 0.000 0.301 232 V C 1.402 177.524 176.094 0.046 0.000 1.184 232 V CA -0.181 62.152 62.300 0.055 0.000 1.013 232 V CB 0.499 32.352 31.823 0.051 0.000 1.230 232 V HN 0.295 nan 8.190 nan 0.000 0.464 233 G N -0.095 108.728 108.800 0.038 0.000 2.552 233 G HA2 0.333 4.292 3.960 -0.001 0.000 0.216 233 G HA3 0.333 4.292 3.960 -0.001 0.000 0.216 233 G C 0.472 175.391 174.900 0.031 0.000 1.240 233 G CA 1.490 46.609 45.100 0.032 0.000 0.796 233 G HN 1.748 nan 8.290 nan 0.000 0.568 234 A N -2.309 120.528 122.820 0.029 0.000 2.557 234 A HA 0.677 4.996 4.320 -0.001 0.000 0.292 234 A C -0.433 177.168 177.584 0.028 0.000 1.139 234 A CA -0.651 51.402 52.037 0.027 0.000 0.665 234 A CB 0.648 19.660 19.000 0.021 0.000 1.285 234 A HN 0.102 nan 8.150 nan 0.000 0.433 235 M N 0.751 120.367 119.600 0.026 0.000 2.198 235 M HA 0.302 4.781 4.480 -0.001 0.000 0.315 235 M C 0.692 177.004 176.300 0.020 0.000 1.134 235 M CA 0.272 55.588 55.300 0.025 0.000 1.171 235 M CB -0.080 32.535 32.600 0.025 0.000 1.413 235 M HN 0.729 nan 8.290 nan 0.000 0.467 236 R N 0.628 121.139 120.500 0.017 0.000 2.615 236 R HA 0.356 4.695 4.340 -0.001 0.000 0.270 236 R C -2.079 174.228 176.300 0.012 0.000 1.081 236 R CA -1.365 54.743 56.100 0.014 0.000 1.154 236 R CB -0.568 29.738 30.300 0.011 0.000 1.063 236 R HN 0.389 nan 8.270 nan 0.000 0.519 237 P HA -0.012 nan 4.420 nan 0.000 0.269 237 P C -0.726 176.578 177.300 0.008 0.000 1.209 237 P CA -0.254 62.852 63.100 0.009 0.000 0.776 237 P CB 0.500 32.205 31.700 0.008 0.000 0.876 238 E N 1.485 121.690 120.200 0.008 0.000 2.452 238 E HA 0.270 4.620 4.350 -0.001 0.000 0.261 238 E C -0.456 176.147 176.600 0.006 0.000 0.987 238 E CA 0.050 56.454 56.400 0.007 0.000 0.926 238 E CB 0.096 29.801 29.700 0.008 0.000 0.934 238 E HN 0.468 nan 8.360 nan 0.000 0.452 239 A N 5.352 128.175 122.820 0.005 0.000 2.302 239 A HA 0.499 4.818 4.320 -0.001 0.000 0.285 239 A C -2.131 175.455 177.584 0.004 0.000 1.105 239 A CA -1.486 50.553 52.037 0.004 0.000 0.816 239 A CB -0.015 18.987 19.000 0.002 0.000 1.067 239 A HN 0.643 nan 8.150 nan 0.000 0.489 240 P HA 0.151 nan 4.420 nan 0.000 0.261 240 P C -2.143 175.160 177.300 0.005 0.000 1.183 240 P CA -0.324 62.779 63.100 0.005 0.000 0.761 240 P CB -0.131 31.572 31.700 0.004 0.000 0.785 241 P HA 0.128 nan 4.420 nan 0.000 0.269 241 P C -0.618 176.686 177.300 0.007 0.000 1.215 241 P CA 0.346 63.450 63.100 0.007 0.000 0.780 241 P CB 0.922 32.627 31.700 0.008 0.000 0.898 242 I N 2.547 123.121 120.570 0.008 0.000 2.420 242 I HA 0.207 4.376 4.170 -0.001 0.000 0.282 242 I C -0.005 176.120 176.117 0.012 0.000 1.019 242 I CA -0.638 60.668 61.300 0.009 0.000 1.130 242 I CB 1.026 39.031 38.000 0.008 0.000 1.262 242 I HN 0.198 nan 8.210 nan 0.000 0.454 243 N N 6.105 124.814 118.700 0.014 0.000 2.421 243 N HA 0.424 5.163 4.740 -0.001 0.000 0.285 243 N C -0.754 174.769 175.510 0.022 0.000 1.027 243 N CA -0.389 52.671 53.050 0.017 0.000 0.918 243 N CB 2.912 41.409 38.487 0.016 0.000 1.152 243 N HN 0.157 nan 8.380 nan 0.000 0.485 244 V N 1.747 121.677 119.914 0.027 0.000 2.409 244 V HA 0.486 4.605 4.120 -0.001 0.000 0.291 244 V C 0.068 176.185 176.094 0.038 0.000 1.020 244 V CA -0.524 61.797 62.300 0.036 0.000 0.848 244 V CB 1.355 33.205 31.823 0.045 0.000 0.990 244 V HN 0.845 nan 8.190 nan 0.000 0.430 245 T N 1.938 116.515 114.554 0.038 0.000 2.900 245 T HA 0.638 4.987 4.350 -0.001 0.000 0.295 245 T C -0.731 173.994 174.700 0.041 0.000 1.044 245 T CA -0.811 61.311 62.100 0.036 0.000 0.995 245 T CB 2.253 71.137 68.868 0.027 0.000 1.072 245 T HN 0.489 nan 8.240 nan 0.000 0.473 246 Q N 1.924 121.747 119.800 0.039 0.000 2.907 246 Q HA 0.257 4.596 4.340 -0.001 0.000 0.262 246 Q C -1.677 174.337 176.000 0.022 0.000 0.997 246 Q CA -2.078 53.748 55.803 0.038 0.000 0.797 246 Q CB 1.519 30.286 28.738 0.049 0.000 1.228 246 Q HN 0.595 nan 8.270 nan 0.000 0.466 247 P HA -0.218 nan 4.420 nan 0.000 0.217 247 P C 0.072 177.376 177.300 0.007 0.000 1.151 247 P CA 1.395 64.502 63.100 0.013 0.000 0.849 247 P CB 0.452 32.161 31.700 0.014 0.000 0.787 248 E N -0.339 119.865 120.200 0.006 0.000 2.451 248 E HA 0.377 4.726 4.350 -0.001 0.000 0.194 248 E C 0.892 177.484 176.600 -0.013 0.000 1.027 248 E CA -0.008 56.391 56.400 -0.001 0.000 0.914 248 E CB 0.066 29.767 29.700 0.002 0.000 1.054 248 E HN 0.273 nan 8.360 nan 0.000 0.461 249 G N 0.725 109.515 108.800 -0.016 0.000 2.698 249 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.225 249 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.225 249 G C -0.169 174.697 174.900 -0.057 0.000 1.345 249 G CA -0.508 44.565 45.100 -0.046 0.000 0.871 249 G HN 0.437 nan 8.290 nan 0.000 0.540 250 V N -2.612 117.212 119.914 -0.149 0.000 2.975 250 V HA 0.874 4.993 4.120 -0.001 0.000 0.318 250 V C 1.464 177.463 176.094 -0.159 0.000 1.077 250 V CA 0.872 63.059 62.300 -0.189 0.000 1.000 250 V CB 1.544 33.031 31.823 -0.560 0.000 1.066 250 V HN 2.361 nan 8.190 nan 0.000 0.452 251 S N 1.650 117.365 115.700 0.026 0.000 2.528 251 S HA 0.186 4.655 4.470 -0.001 0.000 0.219 251 S C 0.513 175.233 174.600 0.199 0.000 0.985 251 S CA 0.030 58.294 58.200 0.107 0.000 0.914 251 S CB -0.746 62.565 63.200 0.185 0.000 0.776 251 S HN 1.060 nan 8.310 nan 0.000 0.526 252 F N 1.234 121.340 119.950 0.259 0.000 2.378 252 F HA 0.758 5.284 4.527 -0.001 0.000 0.325 252 F C -0.157 175.683 175.800 0.067 0.000 1.097 252 F CA -1.271 56.868 58.000 0.231 0.000 1.079 252 F CB 0.789 39.898 39.000 0.181 0.000 1.240 252 F HN -0.079 nan 8.300 nan 0.000 0.519 253 K N 4.020 124.564 120.400 0.239 0.000 2.471 253 K HA 0.464 4.783 4.320 -0.001 0.000 0.252 253 K C -1.626 175.017 176.600 0.072 0.000 0.938 253 K CA -0.719 55.620 56.287 0.086 0.000 0.796 253 K CB 1.428 33.947 32.500 0.031 0.000 1.161 253 K HN 0.893 nan 8.250 nan 0.000 0.425 254 M N 2.636 122.260 119.600 0.040 0.000 2.364 254 M HA 0.265 4.744 4.480 -0.001 0.000 0.334 254 M C -0.641 175.657 176.300 -0.004 0.000 1.107 254 M CA -0.670 54.605 55.300 -0.042 0.000 0.988 254 M CB 2.133 34.643 32.600 -0.151 0.000 1.673 254 M HN 0.498 nan 8.290 nan 0.000 0.441 255 T N 2.589 117.134 114.554 -0.015 0.000 3.155 255 T HA 0.525 4.875 4.350 -0.001 0.000 0.384 255 T C 0.539 175.260 174.700 0.034 0.000 1.351 255 T CA 0.316 62.432 62.100 0.027 0.000 1.198 255 T CB 0.681 69.573 68.868 0.040 0.000 1.106 255 T HN 1.090 nan 8.240 nan 0.000 0.564 256 G N 3.755 112.579 108.800 0.041 0.000 2.523 256 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.271 256 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.271 256 G C 0.665 175.548 174.900 -0.028 0.000 1.146 256 G CA -0.124 45.002 45.100 0.043 0.000 0.961 256 G HN 0.521 nan 8.290 nan 0.000 0.549 257 N N 0.575 119.223 118.700 -0.088 0.000 2.336 257 N HA 0.189 4.929 4.740 -0.001 0.000 0.189 257 N C 0.491 175.773 175.510 -0.379 0.000 1.113 257 N CA 0.648 53.529 53.050 -0.282 0.000 0.858 257 N CB 0.732 38.928 38.487 -0.486 0.000 0.970 257 N HN 0.380 nan 8.380 nan 0.000 0.471 258 V N 2.276 122.070 119.914 -0.201 0.000 2.461 258 V HA 0.214 4.333 4.120 -0.001 0.000 0.275 258 V C 0.254 176.183 176.094 -0.276 0.000 1.047 258 V CA -0.490 61.697 62.300 -0.189 0.000 0.955 258 V CB 1.299 33.127 31.823 0.008 0.000 0.988 258 V HN 0.094 nan 8.190 nan 0.000 0.471 259 M N 5.257 124.550 119.600 -0.511 0.000 2.404 259 M HA 0.544 5.023 4.480 -0.001 0.000 0.338 259 M C -0.633 175.402 176.300 -0.441 0.000 1.150 259 M CA 0.151 55.083 55.300 -0.613 0.000 1.016 259 M CB 1.470 33.337 32.600 -1.222 0.000 1.672 259 M HN 0.651 nan 8.290 nan 0.000 0.448 260 E N 3.498 123.596 120.200 -0.170 0.000 2.241 260 E HA 0.486 4.835 4.350 -0.001 0.000 0.263 260 E C -2.274 174.431 176.600 0.176 0.000 0.882 260 E CA -0.303 56.091 56.400 -0.010 0.000 0.769 260 E CB 1.780 31.479 29.700 -0.001 0.000 1.185 260 E HN 0.761 nan 8.360 nan 0.000 0.415 261 W N 2.600 123.908 121.300 0.014 0.000 3.827 261 W HA 0.192 4.851 4.660 -0.001 0.000 0.307 261 W C -0.303 176.308 176.519 0.152 0.000 1.204 261 W CA -0.405 57.001 57.345 0.101 0.000 1.250 261 W CB 1.466 30.992 29.460 0.111 0.000 1.281 261 W HN 0.441 nan 8.180 nan 0.000 0.494 262 S N 5.030 120.310 115.700 -0.700 0.000 3.491 262 S HA -0.327 4.142 4.470 -0.001 0.000 0.371 262 S C 0.853 175.160 174.600 -0.488 0.000 0.980 262 S CA 2.007 59.742 58.200 -0.775 0.000 1.204 262 S CB -1.321 60.956 63.200 -1.540 0.000 0.915 262 S HN 0.999 nan 8.310 nan 0.000 0.482 263 N N -2.397 116.043 118.700 -0.433 0.000 2.967 263 N HA -0.173 4.566 4.740 -0.001 0.000 0.218 263 N C -0.181 175.001 175.510 -0.546 0.000 0.870 263 N CA 1.739 54.389 53.050 -0.667 0.000 1.030 263 N CB -1.469 36.211 38.487 -1.345 0.000 1.027 263 N HN 0.559 nan 8.380 nan 0.000 0.603 264 F N 1.542 121.449 119.950 -0.072 0.000 2.389 264 F HA 0.437 4.963 4.527 -0.001 0.000 0.337 264 F C 0.933 176.810 175.800 0.129 0.000 1.112 264 F CA 0.207 58.320 58.000 0.188 0.000 1.192 264 F CB 0.930 40.192 39.000 0.435 0.000 1.185 264 F HN -0.166 nan 8.300 nan 0.000 0.552 265 K N 4.229 124.878 120.400 0.415 0.000 2.535 265 K HA 0.585 4.904 4.320 -0.001 0.000 0.250 265 K C -1.814 174.985 176.600 0.333 0.000 0.948 265 K CA -0.480 55.925 56.287 0.196 0.000 0.796 265 K CB 1.466 34.037 32.500 0.119 0.000 1.216 265 K HN 0.519 nan 8.250 nan 0.000 0.432 266 F N -0.244 119.724 119.950 0.030 0.000 2.741 266 F HA 0.399 4.925 4.527 -0.001 0.000 0.311 266 F C -1.612 174.185 175.800 -0.006 0.000 1.149 266 F CA -1.156 56.859 58.000 0.025 0.000 0.930 266 F CB 0.995 39.979 39.000 -0.027 0.000 1.312 266 F HN 0.425 nan 8.300 nan 0.000 0.450 267 H N 2.726 121.853 119.070 0.095 0.000 2.476 267 H HA 0.530 5.086 4.556 -0.001 0.000 0.328 267 H C -1.129 174.192 175.328 -0.011 0.000 1.073 267 H CA -0.627 55.359 56.048 -0.103 0.000 1.229 267 H CB 1.462 31.056 29.762 -0.279 0.000 1.432 267 H HN 0.746 nan 8.280 nan 0.000 0.477 268 I N 5.642 125.943 120.570 -0.448 0.000 2.281 268 I HA 0.210 4.379 4.170 -0.001 0.000 0.293 268 I C 1.044 176.982 176.117 -0.298 0.000 1.085 268 I CA -0.288 60.877 61.300 -0.225 0.000 1.257 268 I CB 0.856 38.757 38.000 -0.165 0.000 1.430 268 I HN 0.538 nan 8.210 nan 0.000 0.489 269 G N 5.256 114.051 108.800 -0.008 0.000 2.552 269 G HA2 0.701 4.660 3.960 -0.001 0.000 0.318 269 G HA3 0.701 4.660 3.960 -0.001 0.000 0.318 269 G C -1.501 173.525 174.900 0.210 0.000 1.240 269 G CA -0.321 44.870 45.100 0.150 0.000 1.002 269 G HN 0.394 nan 8.290 nan 0.000 0.493 270 F N 0.520 120.501 119.950 0.052 0.000 2.672 270 F HA 0.475 5.001 4.527 -0.001 0.000 0.311 270 F C -1.202 174.675 175.800 0.129 0.000 1.113 270 F CA -0.918 57.121 58.000 0.065 0.000 0.996 270 F CB 2.109 41.143 39.000 0.057 0.000 1.286 270 F HN 0.811 nan 8.300 nan 0.000 0.441 271 N N 2.164 120.762 118.700 -0.169 0.000 2.610 271 N HA 0.229 4.969 4.740 -0.001 0.000 0.264 271 N C 0.114 175.557 175.510 -0.113 0.000 1.348 271 N CA -0.489 52.626 53.050 0.109 0.000 0.819 271 N CB 0.410 38.971 38.487 0.123 0.000 1.521 271 N HN 0.529 nan 8.380 nan 0.000 0.497 272 Y N -0.633 119.546 120.300 -0.201 0.000 2.241 272 Y HA -0.034 4.515 4.550 -0.001 0.000 0.286 272 Y C 2.096 177.525 175.900 -0.785 0.000 1.166 272 Y CA 1.567 59.133 58.100 -0.890 0.000 1.203 272 Y CB -0.422 37.122 38.460 -1.528 0.000 0.977 272 Y HN 0.659 nan 8.280 nan 0.000 0.529 273 R N 0.375 119.928 120.500 -1.579 0.000 2.051 273 R HA 0.039 4.378 4.340 -0.001 0.000 0.218 273 R C 2.005 177.853 176.300 -0.753 0.000 1.188 273 R CA 1.190 56.488 56.100 -1.336 0.000 0.992 273 R CB -0.034 29.254 30.300 -1.687 0.000 0.883 273 R HN 0.464 nan 8.270 nan 0.000 0.444 274 E N -0.305 119.562 120.200 -0.556 0.000 2.435 274 E HA 0.140 4.490 4.350 -0.001 0.000 0.195 274 E C 0.879 177.247 176.600 -0.388 0.000 1.029 274 E CA 0.337 56.532 56.400 -0.340 0.000 0.865 274 E CB 0.462 30.063 29.700 -0.166 0.000 0.833 274 E HN 0.568 nan 8.360 nan 0.000 0.510 275 G N 2.076 110.478 108.800 -0.663 0.000 2.523 275 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.271 275 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.271 275 G C 0.098 174.427 174.900 -0.952 0.000 1.146 275 G CA -0.146 44.336 45.100 -1.030 0.000 0.961 275 G HN 0.195 nan 8.290 nan 0.000 0.549 276 I N 1.154 121.544 120.570 -0.300 0.000 2.618 276 I HA 0.356 4.525 4.170 -0.001 0.000 0.284 276 I C 0.275 176.259 176.117 -0.221 0.000 1.146 276 I CA 0.028 61.296 61.300 -0.052 0.000 1.425 276 I CB 0.947 39.008 38.000 0.102 0.000 1.383 276 I HN 0.316 nan 8.210 nan 0.000 0.562 277 V N 7.862 127.657 119.914 -0.199 0.000 2.447 277 V HA 0.332 4.451 4.120 -0.001 0.000 0.292 277 V C -0.088 175.864 176.094 -0.238 0.000 1.021 277 V CA -0.548 61.601 62.300 -0.252 0.000 0.850 277 V CB 1.588 33.322 31.823 -0.148 0.000 1.005 277 V HN 0.447 nan 8.190 nan 0.000 0.426 278 L N 4.228 125.212 121.223 -0.398 0.000 2.265 278 L HA 0.638 4.977 4.340 -0.001 0.000 0.288 278 L C 0.286 177.056 176.870 -0.167 0.000 1.058 278 L CA 0.229 54.916 54.840 -0.254 0.000 0.809 278 L CB 1.401 43.200 42.059 -0.432 0.000 1.179 278 L HN 0.616 nan 8.230 nan 0.000 0.429 279 S N 0.693 116.373 115.700 -0.033 0.000 2.671 279 S HA 0.282 4.751 4.470 -0.001 0.000 0.299 279 S C -0.452 174.152 174.600 0.006 0.000 1.116 279 S CA -0.620 57.499 58.200 -0.135 0.000 0.912 279 S CB 1.718 64.739 63.200 -0.299 0.000 1.130 279 S HN 0.753 nan 8.310 nan 0.000 0.501 280 D N 0.979 121.335 120.400 -0.073 0.000 2.740 280 D HA -0.144 4.495 4.640 -0.001 0.000 0.231 280 D C -0.706 175.737 176.300 0.238 0.000 1.194 280 D CA 0.362 54.454 54.000 0.153 0.000 0.673 280 D CB -1.162 39.806 40.800 0.280 0.000 0.995 280 D HN 0.238 nan 8.370 nan 0.000 0.411 281 V N 1.223 121.266 119.914 0.216 0.000 2.432 281 V HA 0.560 4.680 4.120 -0.001 0.000 0.271 281 V C 0.870 177.101 176.094 0.228 0.000 1.046 281 V CA 0.261 62.726 62.300 0.274 0.000 0.945 281 V CB 1.424 33.387 31.823 0.234 0.000 0.992 281 V HN 0.492 nan 8.190 nan 0.000 0.471 282 S N 4.381 120.267 115.700 0.310 0.000 2.627 282 S HA 0.773 5.242 4.470 -0.001 0.000 0.283 282 S C -1.357 173.439 174.600 0.326 0.000 1.127 282 S CA -0.817 57.538 58.200 0.258 0.000 0.863 282 S CB 2.030 65.349 63.200 0.197 0.000 1.121 282 S HN 0.580 nan 8.310 nan 0.000 0.479 283 Y N 1.617 121.993 120.300 0.127 0.000 2.391 283 Y HA 0.519 5.069 4.550 -0.001 0.000 0.341 283 Y C -0.479 175.463 175.900 0.070 0.000 0.965 283 Y CA -0.788 57.331 58.100 0.032 0.000 1.067 283 Y CB 1.614 40.089 38.460 0.025 0.000 1.199 283 Y HN 0.851 nan 8.280 nan 0.000 0.450 284 N N 4.929 123.403 118.700 -0.377 0.000 2.508 284 N HA 0.004 4.743 4.740 -0.001 0.000 0.253 284 N C -1.102 174.330 175.510 -0.129 0.000 1.145 284 N CA 0.102 53.030 53.050 -0.203 0.000 0.973 284 N CB 0.087 38.413 38.487 -0.268 0.000 1.305 284 N HN 0.668 nan 8.380 nan 0.000 0.506 285 D N 2.488 123.026 120.400 0.230 0.000 2.508 285 D HA 0.036 4.675 4.640 -0.001 0.000 0.224 285 D C -0.357 176.044 176.300 0.169 0.000 1.171 285 D CA -0.012 54.196 54.000 0.348 0.000 1.006 285 D CB -0.764 40.313 40.800 0.462 0.000 1.073 285 D HN 0.543 nan 8.370 nan 0.000 0.513 286 H N 1.664 120.793 119.070 0.099 0.000 2.506 286 H HA -0.208 4.347 4.556 -0.001 0.000 0.323 286 H C 1.501 176.843 175.328 0.023 0.000 1.076 286 H CA 1.012 57.083 56.048 0.039 0.000 1.108 286 H CB -0.932 28.855 29.762 0.043 0.000 1.569 286 H HN 0.694 nan 8.280 nan 0.000 0.399 287 G N 0.023 108.859 108.800 0.061 0.000 2.308 287 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.221 287 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.221 287 G C 0.307 175.230 174.900 0.038 0.000 1.032 287 G CA 0.053 45.178 45.100 0.042 0.000 0.623 287 G HN 0.746 nan 8.290 nan 0.000 0.506 288 N N 0.841 119.580 118.700 0.064 0.000 2.439 288 N HA 0.408 5.147 4.740 -0.001 0.000 0.243 288 N C -0.024 175.529 175.510 0.072 0.000 1.088 288 N CA -0.313 52.770 53.050 0.055 0.000 0.940 288 N CB 0.670 39.190 38.487 0.056 0.000 1.180 288 N HN 0.082 nan 8.380 nan 0.000 0.505 289 V N 4.994 124.938 119.914 0.050 0.000 2.387 289 V HA 0.171 4.291 4.120 -0.001 0.000 0.260 289 V C 0.359 176.508 176.094 0.092 0.000 1.054 289 V CA -0.111 62.229 62.300 0.067 0.000 0.967 289 V CB 0.023 31.870 31.823 0.040 0.000 1.036 289 V HN 0.616 nan 8.190 nan 0.000 0.481 290 R N 5.947 126.541 120.500 0.156 0.000 2.338 290 R HA 0.461 4.800 4.340 -0.001 0.000 0.317 290 R C -2.752 173.673 176.300 0.208 0.000 0.968 290 R CA -1.857 54.344 56.100 0.169 0.000 0.849 290 R CB 1.450 31.864 30.300 0.190 0.000 1.128 290 R HN 0.392 nan 8.270 nan 0.000 0.448 291 P HA 0.132 nan 4.420 nan 0.000 0.272 291 P C -0.088 177.246 177.300 0.056 0.000 1.223 291 P CA 0.014 63.182 63.100 0.113 0.000 0.784 291 P CB 0.900 32.657 31.700 0.095 0.000 0.923 292 I N -0.264 120.236 120.570 -0.117 0.000 3.674 292 I HA 0.209 4.378 4.170 -0.001 0.000 0.248 292 I C -0.051 175.690 176.117 -0.626 0.000 1.134 292 I CA 0.444 61.402 61.300 -0.570 0.000 1.519 292 I CB 0.204 37.630 38.000 -0.958 0.000 1.598 292 I HN 0.128 nan 8.210 nan 0.000 0.442 293 F N -0.165 119.736 119.950 -0.081 0.000 2.563 293 F HA 0.366 4.892 4.527 -0.001 0.000 0.316 293 F C 1.025 176.828 175.800 0.005 0.000 1.076 293 F CA -0.905 57.051 58.000 -0.074 0.000 0.921 293 F CB 0.789 39.699 39.000 -0.151 0.000 1.209 293 F HN -0.022 nan 8.300 nan 0.000 0.462 294 H N 1.224 120.367 119.070 0.121 0.000 2.465 294 H HA 0.303 4.858 4.556 -0.001 0.000 0.289 294 H C 0.090 175.400 175.328 -0.029 0.000 1.022 294 H CA 0.756 56.819 56.048 0.024 0.000 1.340 294 H CB 0.593 30.325 29.762 -0.049 0.000 1.437 294 H HN 0.580 nan 8.280 nan 0.000 0.539 295 R N 0.520 120.945 120.500 -0.126 0.000 2.579 295 R HA 0.371 4.710 4.340 -0.001 0.000 0.260 295 R C -2.181 173.974 176.300 -0.242 0.000 1.103 295 R CA -0.489 55.468 56.100 -0.239 0.000 0.942 295 R CB 1.878 32.027 30.300 -0.253 0.000 1.251 295 R HN 0.232 nan 8.270 nan 0.000 0.450 296 I N 2.638 123.016 120.570 -0.321 0.000 2.692 296 I HA 0.649 4.818 4.170 -0.001 0.000 0.293 296 I C -1.560 174.290 176.117 -0.445 0.000 1.200 296 I CA -0.096 60.966 61.300 -0.396 0.000 1.036 296 I CB 2.143 39.838 38.000 -0.508 0.000 1.258 296 I HN 0.947 nan 8.210 nan 0.000 0.421 297 S N 6.071 121.629 115.700 -0.238 0.000 2.663 297 S HA 0.488 4.957 4.470 -0.001 0.000 0.264 297 S C -1.732 172.977 174.600 0.182 0.000 1.112 297 S CA -1.087 57.058 58.200 -0.091 0.000 0.823 297 S CB 0.882 63.987 63.200 -0.159 0.000 1.111 297 S HN 0.628 nan 8.310 nan 0.000 0.476 298 L N 2.590 123.969 121.223 0.260 0.000 2.276 298 L HA 0.501 4.840 4.340 -0.001 0.000 0.286 298 L C 1.229 178.146 176.870 0.078 0.000 1.061 298 L CA -0.154 54.806 54.840 0.201 0.000 0.807 298 L CB 1.687 43.889 42.059 0.237 0.000 1.177 298 L HN 1.019 nan 8.230 nan 0.000 0.429 299 S N 0.673 116.405 115.700 0.053 0.000 2.502 299 S HA 0.217 4.686 4.470 -0.001 0.000 0.215 299 S C 0.288 174.881 174.600 -0.011 0.000 1.009 299 S CA -0.208 58.051 58.200 0.098 0.000 0.908 299 S CB 0.510 63.828 63.200 0.198 0.000 0.801 299 S HN 0.656 nan 8.310 nan 0.000 0.505 300 E N -0.678 119.405 120.200 -0.195 0.000 2.403 300 E HA 0.663 5.012 4.350 -0.001 0.000 0.280 300 E C -1.771 174.633 176.600 -0.326 0.000 1.101 300 E CA -0.391 55.824 56.400 -0.309 0.000 0.856 300 E CB 1.142 30.545 29.700 -0.495 0.000 1.303 300 E HN 0.308 nan 8.360 nan 0.000 0.441 301 M N 1.501 121.018 119.600 -0.139 0.000 2.683 301 M HA 0.656 5.135 4.480 -0.001 0.000 0.274 301 M C -1.372 175.024 176.300 0.160 0.000 1.272 301 M CA -0.894 54.356 55.300 -0.082 0.000 0.833 301 M CB 2.555 34.979 32.600 -0.294 0.000 1.708 301 M HN 0.569 nan 8.290 nan 0.000 0.463 302 I N 0.891 121.509 120.570 0.081 0.000 2.685 302 I HA 0.391 4.560 4.170 -0.001 0.000 0.289 302 I C -1.722 174.361 176.117 -0.058 0.000 1.292 302 I CA -0.561 60.770 61.300 0.051 0.000 1.050 302 I CB 1.771 39.801 38.000 0.051 0.000 1.301 302 I HN 0.406 nan 8.210 nan 0.000 0.425 303 V N 8.978 128.873 119.914 -0.031 0.000 2.235 303 V HA 0.353 4.472 4.120 -0.001 0.000 0.266 303 V C -2.224 173.883 176.094 0.022 0.000 1.055 303 V CA -1.260 61.001 62.300 -0.066 0.000 0.844 303 V CB 0.663 32.452 31.823 -0.057 0.000 1.097 303 V HN 0.513 nan 8.190 nan 0.000 0.453 304 P HA 0.352 nan 4.420 nan 0.000 0.282 304 P C -0.143 177.183 177.300 0.044 0.000 1.274 304 P CA 0.186 63.310 63.100 0.041 0.000 0.770 304 P CB 1.674 33.343 31.700 -0.051 0.000 0.867 305 A N 3.408 126.277 122.820 0.081 0.000 2.332 305 A HA 0.532 4.851 4.320 -0.001 0.000 0.258 305 A C 1.412 178.980 177.584 -0.027 0.000 1.087 305 A CA -0.027 52.054 52.037 0.073 0.000 0.802 305 A CB -0.143 18.904 19.000 0.077 0.000 1.042 305 A HN 0.587 nan 8.150 nan 0.000 0.489 306 G N -0.153 108.625 108.800 -0.036 0.000 3.393 306 G HA2 0.327 4.286 3.960 -0.001 0.000 0.255 306 G HA3 0.327 4.286 3.960 -0.001 0.000 0.255 306 G C 0.480 175.220 174.900 -0.267 0.000 1.097 306 G CA 0.711 45.755 45.100 -0.095 0.000 0.780 306 G HN 0.807 nan 8.290 nan 0.000 0.540 307 S N 1.419 116.876 115.700 -0.405 0.000 2.475 307 S HA 0.442 4.911 4.470 -0.001 0.000 0.281 307 S C -0.930 173.336 174.600 -0.557 0.000 1.198 307 S CA -1.364 56.461 58.200 -0.624 0.000 1.063 307 S CB 1.805 64.469 63.200 -0.894 0.000 0.972 307 S HN 0.089 nan 8.310 nan 0.000 0.486 308 P HA 0.100 nan 4.420 nan 0.000 0.249 308 P C -0.318 176.842 177.300 -0.233 0.000 1.229 308 P CA 0.139 62.961 63.100 -0.463 0.000 0.788 308 P CB 0.131 31.494 31.700 -0.561 0.000 1.072 309 E N 0.126 120.231 120.200 -0.158 0.000 2.354 309 E HA 0.157 4.506 4.350 -0.001 0.000 0.269 309 E C -0.433 176.123 176.600 -0.074 0.000 1.036 309 E CA -0.781 55.617 56.400 -0.003 0.000 0.876 309 E CB 0.503 30.274 29.700 0.120 0.000 1.009 309 E HN 0.046 nan 8.360 nan 0.000 0.416 310 F N 4.643 124.478 119.950 -0.192 0.000 2.529 310 F HA 0.083 4.609 4.527 -0.001 0.000 0.365 310 F C -1.366 174.142 175.800 -0.487 0.000 1.102 310 F CA -1.502 56.342 58.000 -0.260 0.000 1.271 310 F CB 0.868 39.781 39.000 -0.144 0.000 1.120 310 F HN 0.312 nan 8.300 nan 0.000 0.579 311 P HA 0.130 nan 4.420 nan 0.000 0.257 311 P C -0.133 176.705 177.300 -0.770 0.000 1.737 311 P CA 0.254 62.563 63.100 -1.319 0.000 1.130 311 P CB -0.402 30.674 31.700 -1.040 0.000 1.572 312 H N 0.100 118.927 119.070 -0.405 0.000 2.561 312 H HA -0.095 4.460 4.556 -0.001 0.000 0.278 312 H C 1.576 176.770 175.328 -0.223 0.000 1.014 312 H CA 0.734 56.599 56.048 -0.304 0.000 1.211 312 H CB -0.179 29.399 29.762 -0.308 0.000 1.365 312 H HN 0.253 nan 8.280 nan 0.000 0.594 313 Q N 0.687 120.386 119.800 -0.168 0.000 2.224 313 Q HA -0.054 4.286 4.340 -0.001 0.000 0.203 313 Q C 1.495 177.545 176.000 0.082 0.000 0.970 313 Q CA 0.871 56.628 55.803 -0.077 0.000 0.865 313 Q CB -0.020 28.654 28.738 -0.107 0.000 0.922 313 Q HN 0.391 nan 8.270 nan 0.000 0.445 314 R N 0.927 121.409 120.500 -0.030 0.000 2.346 314 R HA 0.071 4.411 4.340 -0.001 0.000 0.199 314 R C -0.127 176.187 176.300 0.023 0.000 1.015 314 R CA 0.330 56.444 56.100 0.023 0.000 1.058 314 R CB 0.065 30.306 30.300 -0.100 0.000 0.921 314 R HN 0.140 nan 8.270 nan 0.000 0.475 315 K N 1.819 122.280 120.400 0.102 0.000 2.354 315 K HA 0.108 4.427 4.320 -0.001 0.000 0.257 315 K C -0.453 176.321 176.600 0.289 0.000 1.062 315 K CA -0.193 56.196 56.287 0.170 0.000 0.971 315 K CB 0.661 33.191 32.500 0.049 0.000 1.305 315 K HN 0.291 nan 8.250 nan 0.000 0.449 316 H N 0.328 119.533 119.070 0.225 0.000 3.383 316 H HA 0.166 4.721 4.556 -0.001 0.000 0.204 316 H C -0.848 174.542 175.328 0.104 0.000 1.262 316 H CA -0.698 55.414 56.048 0.107 0.000 1.350 316 H CB -0.709 29.061 29.762 0.014 0.000 2.400 316 H HN 0.402 nan 8.280 nan 0.000 0.547 317 A N 1.971 124.830 122.820 0.065 0.000 2.546 317 A HA 0.303 4.623 4.320 -0.001 0.000 0.243 317 A C 0.263 177.827 177.584 -0.033 0.000 1.063 317 A CA -0.186 51.825 52.037 -0.043 0.000 0.757 317 A CB 0.109 19.034 19.000 -0.125 0.000 0.991 317 A HN 0.480 nan 8.150 nan 0.000 0.503 318 L N 3.658 124.836 121.223 -0.074 0.000 2.475 318 L HA 0.193 4.533 4.340 -0.001 0.000 0.253 318 L C 0.754 177.538 176.870 -0.144 0.000 1.137 318 L CA -0.066 54.751 54.840 -0.037 0.000 1.058 318 L CB 0.478 42.555 42.059 0.029 0.000 1.382 318 L HN 0.760 nan 8.230 nan 0.000 0.416 319 D N 1.292 121.635 120.400 -0.096 0.000 2.133 319 D HA -0.254 4.385 4.640 -0.001 0.000 0.192 319 D C 2.040 178.243 176.300 -0.162 0.000 1.001 319 D CA 1.745 55.726 54.000 -0.031 0.000 0.844 319 D CB 0.292 41.135 40.800 0.071 0.000 0.944 319 D HN 0.490 nan 8.370 nan 0.000 0.447 320 I N 0.912 121.345 120.570 -0.228 0.000 2.179 320 I HA -0.173 3.996 4.170 -0.001 0.000 0.242 320 I C 2.563 178.459 176.117 -0.369 0.000 1.088 320 I CA 1.484 62.585 61.300 -0.332 0.000 1.357 320 I CB -0.314 37.513 38.000 -0.288 0.000 1.051 320 I HN 0.020 nan 8.210 nan 0.000 0.409 321 G N -0.442 108.177 108.800 -0.301 0.000 2.551 321 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.216 321 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.216 321 G C 1.423 176.167 174.900 -0.259 0.000 1.137 321 G CA 0.121 45.036 45.100 -0.308 0.000 0.798 321 G HN 0.391 nan 8.290 nan 0.000 0.536 322 E N -1.317 118.677 120.200 -0.343 0.000 2.431 322 E HA 0.138 4.487 4.350 -0.001 0.000 0.200 322 E C 0.858 177.082 176.600 -0.627 0.000 0.995 322 E CA 0.261 56.356 56.400 -0.508 0.000 0.915 322 E CB 0.356 29.627 29.700 -0.715 0.000 0.930 322 E HN 0.553 nan 8.360 nan 0.000 0.496 323 Y N -0.487 119.764 120.300 -0.082 0.000 2.640 323 Y HA 0.337 4.887 4.550 -0.001 0.000 0.274 323 Y C 0.777 176.649 175.900 -0.047 0.000 1.164 323 Y CA 0.248 58.324 58.100 -0.040 0.000 1.189 323 Y CB 1.040 39.456 38.460 -0.075 0.000 1.333 323 Y HN -0.047 nan 8.280 nan 0.000 0.494 324 G N 0.778 109.506 108.800 -0.120 0.000 3.421 324 G HA2 0.154 4.113 3.960 -0.001 0.000 0.686 324 G HA3 0.154 4.113 3.960 -0.001 0.000 0.686 324 G C 0.567 175.190 174.900 -0.461 0.000 1.056 324 G CA -0.277 44.601 45.100 -0.371 0.000 0.891 324 G HN 0.636 nan 8.290 nan 0.000 0.514 325 A N 1.220 123.632 122.820 -0.680 0.000 2.172 325 A HA 0.407 4.726 4.320 -0.001 0.000 0.216 325 A C 2.429 179.766 177.584 -0.412 0.000 1.154 325 A CA 2.288 53.770 52.037 -0.925 0.000 0.701 325 A CB -0.222 18.272 19.000 -0.843 0.000 0.789 325 A HN 2.090 nan 8.150 nan 0.000 0.465 326 G N -1.452 107.127 108.800 -0.369 0.000 2.471 326 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.211 326 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.211 326 G C 1.326 176.335 174.900 0.182 0.000 1.194 326 G CA 0.661 45.745 45.100 -0.027 0.000 0.816 326 G HN 0.383 nan 8.290 nan 0.000 0.545 327 Y N 0.497 120.632 120.300 -0.274 0.000 2.241 327 Y HA 0.009 4.558 4.550 -0.001 0.000 0.286 327 Y C 2.682 178.608 175.900 0.043 0.000 1.166 327 Y CA 0.564 58.530 58.100 -0.223 0.000 1.203 327 Y CB -0.121 38.216 38.460 -0.204 0.000 0.977 327 Y HN 0.101 nan 8.280 nan 0.000 0.529 328 M N -0.935 118.777 119.600 0.186 0.000 2.431 328 M HA 0.073 4.552 4.480 -0.001 0.000 0.237 328 M C 0.650 177.127 176.300 0.295 0.000 1.130 328 M CA 0.181 55.599 55.300 0.196 0.000 1.002 328 M CB -1.013 31.674 32.600 0.145 0.000 1.524 328 M HN -0.093 nan 8.290 nan 0.000 0.482 329 T N 2.575 117.331 114.554 0.336 0.000 2.930 329 T HA 0.108 4.457 4.350 -0.001 0.000 0.306 329 T C 0.377 175.244 174.700 0.277 0.000 1.045 329 T CA 0.017 62.346 62.100 0.381 0.000 1.134 329 T CB 0.394 69.550 68.868 0.480 0.000 0.961 329 T HN 0.244 nan 8.240 nan 0.000 0.545 330 N N 5.050 123.886 118.700 0.227 0.000 2.518 330 N HA 0.338 5.077 4.740 -0.001 0.000 0.283 330 N C -2.659 172.912 175.510 0.101 0.000 1.119 330 N CA -1.801 51.336 53.050 0.144 0.000 0.983 330 N CB 0.896 39.449 38.487 0.109 0.000 1.139 330 N HN 0.363 nan 8.380 nan 0.000 0.465 331 P HA 0.144 nan 4.420 nan 0.000 0.276 331 P C 0.403 177.701 177.300 -0.004 0.000 1.253 331 P CA -0.310 62.790 63.100 0.000 0.000 0.766 331 P CB 0.645 32.333 31.700 -0.019 0.000 0.845 332 L N 2.517 123.738 121.223 -0.003 0.000 2.492 332 L HA -0.024 4.315 4.340 -0.001 0.000 0.223 332 L C 2.219 179.086 176.870 -0.005 0.000 1.132 332 L CA 1.272 56.141 54.840 0.048 0.000 0.850 332 L CB -1.670 40.501 42.059 0.187 0.000 0.966 332 L HN 0.324 nan 8.230 nan 0.000 0.454 333 S N -0.189 115.389 115.700 -0.203 0.000 2.363 333 S HA -0.182 4.287 4.470 -0.001 0.000 0.218 333 S C 2.057 176.616 174.600 -0.069 0.000 1.035 333 S CA 1.406 59.464 58.200 -0.238 0.000 1.043 333 S CB -0.214 62.764 63.200 -0.371 0.000 0.986 333 S HN 0.338 nan 8.310 nan 0.000 0.423 334 L N 0.814 122.001 121.223 -0.060 0.000 1.978 334 L HA -0.159 4.181 4.340 -0.001 0.000 0.218 334 L C 2.818 179.691 176.870 0.006 0.000 1.075 334 L CA 1.683 56.512 54.840 -0.020 0.000 0.767 334 L CB -1.515 40.536 42.059 -0.012 0.000 0.890 334 L HN 0.566 nan 8.230 nan 0.000 0.434 335 G N -1.526 107.283 108.800 0.014 0.000 2.537 335 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.220 335 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.220 335 G C 0.953 175.867 174.900 0.024 0.000 1.111 335 G CA 0.722 45.836 45.100 0.023 0.000 0.748 335 G HN 0.673 nan 8.290 nan 0.000 0.564 336 C N -0.354 118.965 119.300 0.032 0.000 4.497 336 C HA -0.162 4.297 4.460 -0.001 0.000 0.292 336 C C 1.450 176.461 174.990 0.034 0.000 1.366 336 C CA 0.088 59.126 59.018 0.033 0.000 1.987 336 C CB -2.485 25.268 27.740 0.022 0.000 1.241 336 C HN 0.631 nan 8.230 nan 0.000 0.788 337 D N 0.023 120.453 120.400 0.049 0.000 2.144 337 D HA -0.010 4.629 4.640 -0.001 0.000 0.199 337 D C 0.837 177.172 176.300 0.059 0.000 0.984 337 D CA 1.562 55.597 54.000 0.058 0.000 0.834 337 D CB 0.029 40.872 40.800 0.070 0.000 0.955 337 D HN 0.727 nan 8.370 nan 0.000 0.465 338 C N 1.231 120.550 119.300 0.033 0.000 2.298 338 C HA 0.512 4.971 4.460 -0.001 0.000 0.323 338 C C 0.108 175.018 174.990 -0.134 0.000 1.284 338 C CA -1.629 57.334 59.018 -0.092 0.000 1.577 338 C CB 0.667 28.305 27.740 -0.169 0.000 2.249 338 C HN 0.066 nan 8.230 nan 0.000 0.497 339 K N 2.068 122.370 120.400 -0.163 0.000 2.156 339 K HA 0.644 4.963 4.320 -0.001 0.000 0.271 339 K C 0.603 177.137 176.600 -0.110 0.000 0.995 339 K CA 0.790 57.024 56.287 -0.088 0.000 0.890 339 K CB 1.066 33.556 32.500 -0.018 0.000 1.073 339 K HN 1.190 nan 8.250 nan 0.000 0.454 340 G N 0.782 109.560 108.800 -0.037 0.000 2.428 340 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.202 340 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.202 340 G C -1.155 173.754 174.900 0.015 0.000 1.247 340 G CA -0.587 44.522 45.100 0.015 0.000 1.020 340 G HN 0.435 nan 8.290 nan 0.000 0.529 341 V N 2.261 122.216 119.914 0.067 0.000 2.326 341 V HA 0.346 4.465 4.120 -0.001 0.000 0.249 341 V C 0.665 176.820 176.094 0.102 0.000 1.114 341 V CA -0.374 61.971 62.300 0.075 0.000 1.028 341 V CB 0.005 31.877 31.823 0.083 0.000 1.170 341 V HN 0.541 nan 8.190 nan 0.000 0.494 342 I N 3.778 124.351 120.570 0.004 0.000 2.577 342 I HA 0.434 4.603 4.170 -0.001 0.000 0.300 342 I C 0.147 176.206 176.117 -0.097 0.000 0.990 342 I CA -0.261 60.961 61.300 -0.131 0.000 1.283 342 I CB 1.018 38.740 38.000 -0.464 0.000 1.411 342 I HN 0.515 nan 8.210 nan 0.000 0.515 343 H N 5.442 124.381 119.070 -0.218 0.000 2.609 343 H HA 0.445 5.000 4.556 -0.001 0.000 0.344 343 H C -1.682 173.480 175.328 -0.277 0.000 1.040 343 H CA -0.361 55.636 56.048 -0.085 0.000 1.216 343 H CB 1.179 31.035 29.762 0.157 0.000 1.529 343 H HN 0.382 nan 8.280 nan 0.000 0.519 344 Y N 3.307 123.656 120.300 0.082 0.000 2.567 344 Y HA 0.484 5.033 4.550 -0.001 0.000 0.333 344 Y C -0.011 175.934 175.900 0.076 0.000 1.106 344 Y CA -0.803 57.340 58.100 0.073 0.000 1.157 344 Y CB 1.811 40.257 38.460 -0.024 0.000 1.277 344 Y HN 0.384 nan 8.280 nan 0.000 0.490 345 L N 1.547 122.881 121.223 0.185 0.000 2.388 345 L HA 0.489 4.828 4.340 -0.001 0.000 0.264 345 L C -1.246 175.562 176.870 -0.103 0.000 0.998 345 L CA -1.029 53.832 54.840 0.035 0.000 0.817 345 L CB 2.151 44.196 42.059 -0.023 0.000 1.338 345 L HN 0.565 nan 8.230 nan 0.000 0.414 346 D N 0.857 121.150 120.400 -0.178 0.000 2.326 346 D HA 0.715 5.354 4.640 -0.001 0.000 0.248 346 D C -0.502 175.434 176.300 -0.607 0.000 1.001 346 D CA -0.204 53.586 54.000 -0.350 0.000 0.961 346 D CB 2.261 42.881 40.800 -0.300 0.000 1.183 346 D HN 0.577 nan 8.370 nan 0.000 0.502 347 A N 0.796 123.134 122.820 -0.804 0.000 2.374 347 A HA 0.651 4.970 4.320 -0.001 0.000 0.317 347 A C -1.068 175.788 177.584 -1.214 0.000 1.094 347 A CA -0.630 50.854 52.037 -0.921 0.000 0.765 347 A CB 1.176 19.663 19.000 -0.855 0.000 1.268 347 A HN 0.572 nan 8.150 nan 0.000 0.438 348 H N 0.792 119.510 119.070 -0.586 0.000 2.667 348 H HA 0.654 5.209 4.556 -0.001 0.000 0.353 348 H C -1.494 173.606 175.328 -0.380 0.000 1.072 348 H CA -0.184 55.596 56.048 -0.445 0.000 1.214 348 H CB 1.411 31.080 29.762 -0.155 0.000 1.600 348 H HN 0.539 nan 8.280 nan 0.000 0.527 349 F N -0.194 119.918 119.950 0.270 0.000 2.764 349 F HA 0.466 4.992 4.527 -0.001 0.000 0.347 349 F C 0.701 176.609 175.800 0.181 0.000 1.151 349 F CA -1.036 57.128 58.000 0.272 0.000 1.021 349 F CB 1.002 40.264 39.000 0.436 0.000 1.438 349 F HN 0.335 nan 8.300 nan 0.000 0.516 350 S N -0.423 115.510 115.700 0.387 0.000 2.578 350 S HA 0.628 5.097 4.470 -0.001 0.000 0.301 350 S C -1.277 173.423 174.600 0.166 0.000 1.091 350 S CA -0.662 57.643 58.200 0.175 0.000 1.032 350 S CB 0.876 64.116 63.200 0.066 0.000 1.064 350 S HN 0.601 nan 8.310 nan 0.000 0.508 351 D N 1.429 121.884 120.400 0.092 0.000 2.487 351 D HA 0.340 4.979 4.640 -0.001 0.000 0.262 351 D C 1.129 177.492 176.300 0.106 0.000 1.130 351 D CA -0.837 53.209 54.000 0.077 0.000 1.038 351 D CB 0.289 41.125 40.800 0.059 0.000 1.142 351 D HN 0.522 nan 8.370 nan 0.000 0.575 352 R N -0.461 120.095 120.500 0.093 0.000 2.133 352 R HA -0.207 4.132 4.340 -0.001 0.000 0.247 352 R C 1.751 178.178 176.300 0.212 0.000 1.151 352 R CA 1.762 57.941 56.100 0.132 0.000 0.971 352 R CB -0.595 29.745 30.300 0.067 0.000 0.866 352 R HN 0.578 nan 8.270 nan 0.000 0.447 353 A N -0.822 122.082 122.820 0.141 0.000 2.167 353 A HA 0.137 4.456 4.320 -0.001 0.000 0.214 353 A C 1.438 179.087 177.584 0.107 0.000 1.151 353 A CA 1.069 53.189 52.037 0.139 0.000 0.735 353 A CB -0.116 18.925 19.000 0.068 0.000 0.802 353 A HN 0.611 nan 8.150 nan 0.000 0.467 354 G N -0.977 107.806 108.800 -0.028 0.000 2.144 354 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.218 354 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.218 354 G C -0.497 174.246 174.900 -0.263 0.000 0.988 354 G CA 0.108 44.922 45.100 -0.477 0.000 0.659 354 G HN 0.464 nan 8.290 nan 0.000 0.522 355 D N 1.230 121.570 120.400 -0.099 0.000 2.177 355 D HA 0.460 5.099 4.640 -0.001 0.000 0.247 355 D C -2.474 173.818 176.300 -0.013 0.000 1.063 355 D CA -1.290 52.677 54.000 -0.054 0.000 0.867 355 D CB 1.695 42.485 40.800 -0.018 0.000 1.168 355 D HN 0.021 nan 8.370 nan 0.000 0.445 356 P HA 0.098 nan 4.420 nan 0.000 0.265 356 P C -0.414 176.925 177.300 0.065 0.000 1.193 356 P CA 0.128 63.248 63.100 0.034 0.000 0.765 356 P CB 0.423 32.118 31.700 -0.008 0.000 0.823 357 I N -0.866 119.775 120.570 0.117 0.000 2.646 357 I HA 0.680 4.849 4.170 -0.001 0.000 0.299 357 I C -0.658 175.511 176.117 0.086 0.000 1.036 357 I CA -0.673 60.695 61.300 0.112 0.000 1.074 357 I CB 2.546 40.638 38.000 0.153 0.000 1.258 357 I HN 0.063 nan 8.210 nan 0.000 0.430 358 T N 3.982 118.566 114.554 0.050 0.000 2.876 358 T HA 0.503 4.852 4.350 -0.001 0.000 0.289 358 T C -0.750 173.891 174.700 -0.097 0.000 1.014 358 T CA -0.601 61.471 62.100 -0.046 0.000 0.986 358 T CB 2.209 71.116 68.868 0.065 0.000 1.021 358 T HN 0.654 nan 8.240 nan 0.000 0.458 359 V N 3.005 122.786 119.914 -0.222 0.000 2.407 359 V HA 0.562 4.682 4.120 -0.001 0.000 0.291 359 V C -0.385 175.596 176.094 -0.189 0.000 1.018 359 V CA -0.858 61.371 62.300 -0.118 0.000 0.842 359 V CB 1.073 32.895 31.823 -0.001 0.000 0.996 359 V HN 0.692 nan 8.190 nan 0.000 0.426 360 K N 4.568 124.889 120.400 -0.132 0.000 2.350 360 K HA 0.235 4.554 4.320 -0.001 0.000 0.279 360 K C 0.463 176.963 176.600 -0.167 0.000 1.027 360 K CA 0.564 56.761 56.287 -0.150 0.000 0.969 360 K CB 0.210 32.636 32.500 -0.123 0.000 0.954 360 K HN 1.004 nan 8.250 nan 0.000 0.474 361 N N 0.891 119.483 118.700 -0.178 0.000 2.696 361 N HA -0.261 4.478 4.740 -0.001 0.000 0.256 361 N C 0.399 175.884 175.510 -0.042 0.000 1.031 361 N CA 0.343 53.308 53.050 -0.141 0.000 0.730 361 N CB -0.724 37.457 38.487 -0.509 0.000 0.894 361 N HN 0.740 nan 8.380 nan 0.000 0.544 362 A N -0.644 122.105 122.820 -0.118 0.000 1.968 362 A HA 0.168 4.487 4.320 -0.001 0.000 0.217 362 A C 0.891 178.459 177.584 -0.027 0.000 1.169 362 A CA 1.058 53.016 52.037 -0.132 0.000 0.638 362 A CB 0.643 19.380 19.000 -0.439 0.000 0.812 362 A HN 0.204 nan 8.150 nan 0.000 0.446 363 V N -0.268 119.631 119.914 -0.025 0.000 2.555 363 V HA 0.432 4.551 4.120 -0.001 0.000 0.302 363 V C -0.223 175.956 176.094 0.142 0.000 1.038 363 V CA -0.735 61.612 62.300 0.078 0.000 0.887 363 V CB 1.094 32.937 31.823 0.033 0.000 0.991 363 V HN 0.566 nan 8.190 nan 0.000 0.434 364 C N 5.599 124.963 119.300 0.107 0.000 2.455 364 C HA 0.876 5.335 4.460 -0.001 0.000 0.320 364 C C -0.687 174.296 174.990 -0.012 0.000 1.226 364 C CA -0.667 58.329 59.018 -0.037 0.000 1.569 364 C CB -0.050 27.664 27.740 -0.043 0.000 2.200 364 C HN 0.785 nan 8.230 nan 0.000 0.491 365 I N 6.254 126.774 120.570 -0.084 0.000 2.509 365 I HA 0.672 4.841 4.170 -0.001 0.000 0.293 365 I C -0.242 175.854 176.117 -0.035 0.000 1.020 365 I CA -0.063 61.166 61.300 -0.117 0.000 1.088 365 I CB 1.828 39.647 38.000 -0.301 0.000 1.267 365 I HN 0.991 nan 8.210 nan 0.000 0.430 366 H N 4.029 122.910 119.070 -0.315 0.000 2.935 366 H HA 0.411 4.966 4.556 -0.001 0.000 0.297 366 H C -2.074 173.152 175.328 -0.169 0.000 1.423 366 H CA -1.096 54.873 56.048 -0.131 0.000 1.161 366 H CB 1.217 30.975 29.762 -0.006 0.000 1.841 366 H HN 0.645 nan 8.280 nan 0.000 0.506 367 E N 1.046 121.225 120.200 -0.036 0.000 2.244 367 E HA 0.594 4.943 4.350 -0.001 0.000 0.266 367 E C -1.008 175.590 176.600 -0.003 0.000 0.914 367 E CA -0.873 55.444 56.400 -0.138 0.000 0.794 367 E CB 3.032 32.794 29.700 0.104 0.000 1.210 367 E HN 0.753 nan 8.360 nan 0.000 0.414 368 E N 1.265 121.445 120.200 -0.033 0.000 2.445 368 E HA 0.245 4.594 4.350 -0.001 0.000 0.279 368 E C -1.223 175.411 176.600 0.057 0.000 1.018 368 E CA -1.023 55.405 56.400 0.048 0.000 0.816 368 E CB 1.231 30.963 29.700 0.053 0.000 1.356 368 E HN 0.495 nan 8.360 nan 0.000 0.462 369 D N 0.225 120.662 120.400 0.062 0.000 2.414 369 D HA 0.014 4.653 4.640 -0.001 0.000 0.242 369 D C -0.752 175.567 176.300 0.032 0.000 1.129 369 D CA 0.389 54.421 54.000 0.053 0.000 0.885 369 D CB 1.029 41.855 40.800 0.042 0.000 1.198 369 D HN 0.499 nan 8.370 nan 0.000 0.437 370 D N 1.928 122.349 120.400 0.034 0.000 2.819 370 D HA 0.316 4.955 4.640 -0.001 0.000 0.326 370 D C 0.532 176.837 176.300 0.009 0.000 1.408 370 D CA 0.373 54.384 54.000 0.017 0.000 0.811 370 D CB -0.092 40.728 40.800 0.032 0.000 1.148 370 D HN 0.712 nan 8.370 nan 0.000 0.457 371 G N 0.278 109.080 108.800 0.003 0.000 2.553 371 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.242 371 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.242 371 G C -0.383 174.505 174.900 -0.020 0.000 1.277 371 G CA -0.234 44.862 45.100 -0.007 0.000 0.910 371 G HN 0.301 nan 8.290 nan 0.000 0.576 372 L N 0.507 121.714 121.223 -0.025 0.000 2.349 372 L HA 0.410 4.749 4.340 -0.001 0.000 0.275 372 L C 1.698 178.527 176.870 -0.069 0.000 1.115 372 L CA -0.694 54.115 54.840 -0.052 0.000 0.820 372 L CB 1.205 43.248 42.059 -0.026 0.000 1.135 372 L HN 0.578 nan 8.230 nan 0.000 0.445 373 L N 4.058 125.166 121.223 -0.192 0.000 2.168 373 L HA 0.254 4.593 4.340 -0.001 0.000 0.203 373 L C -0.174 176.630 176.870 -0.110 0.000 1.078 373 L CA 1.297 55.998 54.840 -0.233 0.000 0.780 373 L CB 0.197 41.947 42.059 -0.515 0.000 0.939 373 L HN 0.584 nan 8.230 nan 0.000 0.451 374 F N -2.648 117.324 119.950 0.036 0.000 2.769 374 F HA 0.547 5.073 4.527 -0.001 0.000 0.313 374 F C -0.832 174.997 175.800 0.048 0.000 1.146 374 F CA -1.763 56.259 58.000 0.037 0.000 0.934 374 F CB 0.407 39.426 39.000 0.030 0.000 1.283 374 F HN -0.160 nan 8.300 nan 0.000 0.443 375 K N 0.826 121.435 120.400 0.349 0.000 2.568 375 K HA 0.653 4.973 4.320 -0.001 0.000 0.273 375 K C -2.525 174.229 176.600 0.257 0.000 0.951 375 K CA -0.889 55.549 56.287 0.253 0.000 0.854 375 K CB 2.480 35.052 32.500 0.119 0.000 1.424 375 K HN 1.121 nan 8.250 nan 0.000 0.427 376 H N -0.011 119.127 119.070 0.112 0.000 3.129 376 H HA 0.439 4.994 4.556 -0.001 0.000 0.342 376 H C -1.990 173.395 175.328 0.094 0.000 1.092 376 H CA -0.245 55.851 56.048 0.081 0.000 1.310 376 H CB 1.855 31.659 29.762 0.071 0.000 1.932 376 H HN 0.531 nan 8.280 nan 0.000 0.507 377 S N 3.108 118.393 115.700 -0.693 0.000 2.568 377 S HA 0.262 4.731 4.470 -0.001 0.000 0.293 377 S C -1.277 173.135 174.600 -0.314 0.000 1.089 377 S CA -0.897 57.115 58.200 -0.313 0.000 0.945 377 S CB 1.686 64.843 63.200 -0.071 0.000 1.077 377 S HN 0.666 nan 8.310 nan 0.000 0.485 378 D N 1.399 121.796 120.400 -0.005 0.000 2.274 378 D HA 0.253 4.892 4.640 -0.001 0.000 0.239 378 D C 0.804 177.111 176.300 0.011 0.000 1.104 378 D CA -0.901 53.099 54.000 -0.000 0.000 0.840 378 D CB 0.607 41.359 40.800 -0.080 0.000 1.100 378 D HN 0.430 nan 8.370 nan 0.000 0.477 379 F N 3.640 123.635 119.950 0.076 0.000 2.365 379 F HA 0.040 4.566 4.527 -0.002 0.000 0.300 379 F C 1.831 177.483 175.800 -0.246 0.000 1.090 379 F CA 0.382 58.234 58.000 -0.246 0.000 1.408 379 F CB -0.350 38.618 39.000 -0.053 0.000 1.060 379 F HN 0.219 nan 8.300 nan 0.000 0.534 380 R N 0.984 120.880 120.500 -1.007 0.000 2.117 380 R HA -0.173 4.167 4.340 -0.001 0.000 0.243 380 R C 0.497 176.621 176.300 -0.292 0.000 1.143 380 R CA 1.741 57.454 56.100 -0.645 0.000 0.968 380 R CB -0.785 29.156 30.300 -0.597 0.000 0.863 380 R HN 0.551 nan 8.270 nan 0.000 0.444 381 D N -1.587 118.665 120.400 -0.247 0.000 2.892 381 D HA 0.090 4.729 4.640 -0.001 0.000 0.291 381 D C -0.747 175.450 176.300 -0.171 0.000 1.341 381 D CA -0.549 53.358 54.000 -0.155 0.000 0.844 381 D CB -0.462 40.281 40.800 -0.095 0.000 1.093 381 D HN -0.029 nan 8.370 nan 0.000 0.480 382 N N 0.368 118.883 118.700 -0.309 0.000 2.727 382 N HA -0.271 4.468 4.740 -0.001 0.000 0.249 382 N C -0.719 174.554 175.510 -0.395 0.000 1.048 382 N CA 0.660 53.415 53.050 -0.493 0.000 0.714 382 N CB -1.098 37.244 38.487 -0.242 0.000 0.959 382 N HN 0.272 nan 8.380 nan 0.000 0.544 383 F N -5.485 114.468 119.950 0.005 0.000 2.884 383 F HA -0.321 4.206 4.527 -0.002 0.000 0.294 383 F C 1.688 177.497 175.800 0.015 0.000 0.723 383 F CA 0.496 58.493 58.000 -0.005 0.000 1.294 383 F CB -2.032 36.970 39.000 0.003 0.000 1.551 383 F HN 0.282 nan 8.300 nan 0.000 0.363 384 A N -1.069 121.823 122.820 0.120 0.000 1.898 384 A HA -0.006 4.313 4.320 -0.001 0.000 0.216 384 A C 1.465 179.125 177.584 0.127 0.000 1.181 384 A CA 1.860 53.964 52.037 0.112 0.000 0.620 384 A CB -0.467 18.563 19.000 0.050 0.000 0.819 384 A HN 0.343 nan 8.150 nan 0.000 0.442 385 T N 1.041 115.641 114.554 0.077 0.000 2.769 385 T HA 0.441 4.791 4.350 -0.001 0.000 0.293 385 T C -0.243 174.513 174.700 0.093 0.000 0.931 385 T CA 0.681 62.816 62.100 0.058 0.000 1.139 385 T CB 0.172 69.048 68.868 0.014 0.000 0.881 385 T HN 0.358 nan 8.240 nan 0.000 0.532 386 S N 3.470 119.237 115.700 0.112 0.000 2.543 386 S HA 0.682 5.151 4.470 -0.001 0.000 0.274 386 S C -1.902 172.780 174.600 0.137 0.000 1.149 386 S CA -0.890 57.394 58.200 0.139 0.000 0.866 386 S CB 1.076 64.408 63.200 0.221 0.000 1.111 386 S HN 0.664 nan 8.310 nan 0.000 0.457 387 L N 3.872 125.186 121.223 0.152 0.000 2.436 387 L HA 0.903 5.242 4.340 -0.001 0.000 0.268 387 L C -1.810 175.181 176.870 0.202 0.000 0.974 387 L CA -0.520 54.414 54.840 0.157 0.000 0.826 387 L CB 1.842 43.992 42.059 0.152 0.000 1.291 387 L HN 0.566 nan 8.230 nan 0.000 0.406 388 V N 2.802 122.828 119.914 0.187 0.000 2.623 388 V HA 0.546 4.665 4.120 -0.001 0.000 0.304 388 V C -0.560 175.557 176.094 0.039 0.000 1.054 388 V CA -0.412 61.965 62.300 0.128 0.000 0.882 388 V CB 2.104 34.000 31.823 0.122 0.000 1.002 388 V HN 0.783 nan 8.190 nan 0.000 0.424 389 T N 4.824 119.300 114.554 -0.130 0.000 2.809 389 T HA 0.483 4.832 4.350 -0.001 0.000 0.284 389 T C -0.119 174.393 174.700 -0.313 0.000 0.992 389 T CA -0.628 61.301 62.100 -0.285 0.000 0.957 389 T CB 1.218 69.724 68.868 -0.604 0.000 0.942 389 T HN 0.522 nan 8.240 nan 0.000 0.439 390 R N 1.513 121.916 120.500 -0.162 0.000 2.490 390 R HA 0.661 5.000 4.340 -0.001 0.000 0.278 390 R C 0.109 176.344 176.300 -0.108 0.000 1.069 390 R CA -0.517 55.517 56.100 -0.110 0.000 1.080 390 R CB 0.826 31.103 30.300 -0.039 0.000 1.030 390 R HN 0.684 nan 8.270 nan 0.000 0.491 391 A N 1.298 124.080 122.820 -0.063 0.000 2.306 391 A HA 0.423 4.742 4.320 -0.001 0.000 0.314 391 A C -0.122 177.507 177.584 0.074 0.000 1.164 391 A CA -0.352 51.684 52.037 -0.002 0.000 0.822 391 A CB 1.429 20.436 19.000 0.011 0.000 1.130 391 A HN 0.642 nan 8.150 nan 0.000 0.496 392 T N 0.866 115.521 114.554 0.167 0.000 2.893 392 T HA 0.617 4.967 4.350 -0.001 0.000 0.293 392 T C -0.723 174.216 174.700 0.399 0.000 1.027 392 T CA -0.752 61.493 62.100 0.242 0.000 0.988 392 T CB 0.873 69.903 68.868 0.269 0.000 1.043 392 T HN 0.882 nan 8.240 nan 0.000 0.461 393 K N 3.795 124.317 120.400 0.203 0.000 2.267 393 K HA 0.687 5.007 4.320 -0.001 0.000 0.246 393 K C -1.138 175.230 176.600 -0.388 0.000 0.954 393 K CA -1.227 55.082 56.287 0.037 0.000 0.824 393 K CB 1.901 34.392 32.500 -0.014 0.000 1.167 393 K HN 0.484 nan 8.250 nan 0.000 0.431 394 L N 3.061 123.766 121.223 -0.863 0.000 2.296 394 L HA 0.431 4.770 4.340 -0.001 0.000 0.286 394 L C -1.361 175.217 176.870 -0.486 0.000 1.023 394 L CA -0.824 53.389 54.840 -1.045 0.000 0.812 394 L CB 1.693 42.704 42.059 -1.746 0.000 1.223 394 L HN 0.573 nan 8.230 nan 0.000 0.421 395 V N 5.721 125.359 119.914 -0.461 0.000 2.444 395 V HA 0.393 4.512 4.120 -0.001 0.000 0.294 395 V C -0.140 175.904 176.094 -0.084 0.000 1.022 395 V CA -0.683 61.490 62.300 -0.212 0.000 0.850 395 V CB 2.066 33.736 31.823 -0.255 0.000 0.992 395 V HN 0.489 nan 8.190 nan 0.000 0.426 396 V N 3.929 123.902 119.914 0.099 0.000 2.334 396 V HA 0.598 4.717 4.120 -0.001 0.000 0.281 396 V C 0.166 176.401 176.094 0.235 0.000 1.016 396 V CA -0.004 62.381 62.300 0.142 0.000 0.832 396 V CB 1.446 33.385 31.823 0.194 0.000 0.999 396 V HN 0.885 nan 8.190 nan 0.000 0.439 397 S N 4.212 120.007 115.700 0.160 0.000 2.634 397 S HA 0.868 5.337 4.470 -0.001 0.000 0.296 397 S C -0.937 173.714 174.600 0.086 0.000 1.104 397 S CA -0.555 57.685 58.200 0.066 0.000 0.920 397 S CB 2.043 65.229 63.200 -0.023 0.000 1.111 397 S HN 0.928 nan 8.310 nan 0.000 0.493 398 Q N 1.808 121.621 119.800 0.021 0.000 2.534 398 Q HA 0.695 5.034 4.340 -0.001 0.000 0.290 398 Q C -1.892 174.133 176.000 0.041 0.000 0.991 398 Q CA -0.915 54.968 55.803 0.133 0.000 0.783 398 Q CB 1.312 30.248 28.738 0.331 0.000 1.470 398 Q HN 0.644 nan 8.270 nan 0.000 0.406 399 I N 2.612 123.253 120.570 0.119 0.000 2.548 399 I HA 0.489 4.658 4.170 -0.001 0.000 0.287 399 I C -1.258 174.983 176.117 0.207 0.000 1.103 399 I CA -0.864 60.474 61.300 0.063 0.000 1.049 399 I CB 1.555 39.557 38.000 0.003 0.000 1.232 399 I HN 0.696 nan 8.210 nan 0.000 0.429 400 F N 2.997 123.026 119.950 0.132 0.000 2.561 400 F HA 0.786 5.312 4.527 -0.001 0.000 0.321 400 F C -0.528 175.362 175.800 0.151 0.000 1.065 400 F CA -0.795 57.294 58.000 0.150 0.000 0.934 400 F CB 1.535 40.631 39.000 0.159 0.000 1.215 400 F HN 0.139 nan 8.300 nan 0.000 0.471 401 T N 2.476 117.248 114.554 0.362 0.000 2.771 401 T HA 0.669 5.019 4.350 -0.001 0.000 0.281 401 T C -0.352 174.505 174.700 0.262 0.000 0.982 401 T CA -0.412 61.812 62.100 0.206 0.000 0.978 401 T CB 1.148 70.086 68.868 0.116 0.000 0.930 401 T HN 0.901 nan 8.240 nan 0.000 0.447 402 A N 2.880 125.827 122.820 0.212 0.000 2.786 402 A HA 0.758 5.077 4.320 -0.001 0.000 0.346 402 A C 1.130 178.666 177.584 -0.081 0.000 1.265 402 A CA 0.068 52.153 52.037 0.080 0.000 0.858 402 A CB -0.926 18.235 19.000 0.268 0.000 1.118 402 A HN 1.458 nan 8.150 nan 0.000 0.482 403 A N 1.858 124.619 122.820 -0.098 0.000 5.002 403 A HA -0.298 4.021 4.320 -0.001 0.000 0.326 403 A C 0.974 178.584 177.584 0.044 0.000 1.875 403 A CA 1.569 53.598 52.037 -0.013 0.000 0.708 403 A CB -2.030 16.953 19.000 -0.029 0.000 1.371 403 A HN 1.558 nan 8.150 nan 0.000 0.378 407 Y N 0.123 120.095 120.300 -0.546 0.000 2.328 407 Y HA 0.367 4.916 4.550 -0.001 0.000 0.336 407 Y C -0.036 175.604 175.900 -0.433 0.000 0.960 407 Y CA -0.729 57.035 58.100 -0.560 0.000 1.134 407 Y CB 1.459 39.347 38.460 -0.953 0.000 1.166 407 Y HN 0.485 nan 8.280 nan 0.000 0.464 408 C N 5.820 125.033 119.300 -0.145 0.000 2.239 408 C HA 0.551 5.010 4.460 -0.001 0.000 0.325 408 C C 0.020 174.848 174.990 -0.270 0.000 1.231 408 C CA -1.195 57.714 59.018 -0.182 0.000 1.652 408 C CB -1.259 26.481 27.740 0.001 0.000 2.284 408 C HN 0.634 nan 8.230 nan 0.000 0.499 409 L N 3.806 124.792 121.223 -0.394 0.000 2.295 409 L HA 0.503 4.842 4.340 -0.001 0.000 0.285 409 L C -0.981 175.522 176.870 -0.611 0.000 1.035 409 L CA -0.376 54.249 54.840 -0.358 0.000 0.806 409 L CB 0.578 42.574 42.059 -0.105 0.000 1.214 409 L HN 0.597 nan 8.230 nan 0.000 0.426 410 Y N 0.877 121.029 120.300 -0.247 0.000 2.349 410 Y HA 0.303 4.852 4.550 -0.001 0.000 0.324 410 Y C -0.851 174.862 175.900 -0.313 0.000 1.005 410 Y CA -0.720 57.276 58.100 -0.174 0.000 1.240 410 Y CB 1.045 39.428 38.460 -0.128 0.000 1.117 410 Y HN 0.464 nan 8.280 nan 0.000 0.463 411 W N 3.630 124.943 121.300 0.022 0.000 2.331 411 W HA 0.648 5.307 4.660 -0.002 0.000 0.306 411 W C -0.911 175.545 176.519 -0.105 0.000 1.162 411 W CA -0.760 56.529 57.345 -0.093 0.000 1.232 411 W CB 1.179 30.588 29.460 -0.085 0.000 1.235 411 W HN 0.132 nan 8.180 nan 0.000 0.479 412 V N 5.198 125.075 119.914 -0.061 0.000 2.444 412 V HA 0.411 4.530 4.120 -0.001 0.000 0.294 412 V C -0.604 175.341 176.094 -0.248 0.000 1.022 412 V CA -1.136 61.105 62.300 -0.098 0.000 0.850 412 V CB 0.679 32.442 31.823 -0.099 0.000 0.992 412 V HN 0.201 nan 8.190 nan 0.000 0.426 413 F N 4.499 124.311 119.950 -0.230 0.000 2.421 413 F HA 0.716 5.242 4.527 -0.001 0.000 0.337 413 F C 0.367 176.247 175.800 0.134 0.000 1.105 413 F CA -0.473 57.400 58.000 -0.211 0.000 1.049 413 F CB 1.642 40.381 39.000 -0.436 0.000 1.139 413 F HN 0.272 nan 8.300 nan 0.000 0.479 414 M N 1.985 121.891 119.600 0.510 0.000 2.664 414 M HA 0.314 4.793 4.480 -0.001 0.000 0.314 414 M C 0.556 177.262 176.300 0.676 0.000 1.200 414 M CA -0.624 55.010 55.300 0.556 0.000 0.916 414 M CB 2.128 34.902 32.600 0.289 0.000 1.717 414 M HN 0.580 nan 8.290 nan 0.000 0.470 415 Q N 0.828 120.905 119.800 0.461 0.000 2.515 415 Q HA -0.094 4.245 4.340 -0.001 0.000 0.212 415 Q C 0.195 176.299 176.000 0.173 0.000 0.970 415 Q CA 0.584 56.541 55.803 0.255 0.000 0.941 415 Q CB -0.058 28.753 28.738 0.122 0.000 0.998 415 Q HN 0.600 nan 8.270 nan 0.000 0.518 416 D N -1.688 118.827 120.400 0.192 0.000 2.395 416 D HA 0.079 4.719 4.640 -0.001 0.000 0.213 416 D C 1.096 177.422 176.300 0.042 0.000 1.110 416 D CA 0.520 54.570 54.000 0.084 0.000 0.835 416 D CB 0.468 41.331 40.800 0.106 0.000 0.965 416 D HN 0.196 nan 8.370 nan 0.000 0.505 417 G N 0.038 108.952 108.800 0.189 0.000 2.175 417 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.244 417 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.244 417 G C 0.513 175.732 174.900 0.532 0.000 0.982 417 G CA 0.134 45.391 45.100 0.262 0.000 0.641 417 G HN 0.810 nan 8.290 nan 0.000 0.527 418 A N -0.194 122.848 122.820 0.370 0.000 2.322 418 A HA 0.806 5.125 4.320 -0.001 0.000 0.269 418 A C 0.178 177.889 177.584 0.212 0.000 1.094 418 A CA -0.076 52.128 52.037 0.278 0.000 0.807 418 A CB 0.555 19.630 19.000 0.126 0.000 1.047 418 A HN 0.795 nan 8.150 nan 0.000 0.487 419 I N 0.910 121.527 120.570 0.079 0.000 2.465 419 I HA 0.495 4.664 4.170 -0.001 0.000 0.291 419 I C 0.136 176.152 176.117 -0.168 0.000 1.014 419 I CA -0.403 60.752 61.300 -0.242 0.000 1.093 419 I CB 1.900 39.673 38.000 -0.377 0.000 1.267 419 I HN 0.809 nan 8.210 nan 0.000 0.431 420 R N 6.439 126.801 120.500 -0.230 0.000 2.750 420 R HA 0.645 4.984 4.340 -0.001 0.000 0.281 420 R C -1.969 174.176 176.300 -0.258 0.000 0.972 420 R CA -0.701 55.283 56.100 -0.193 0.000 0.912 420 R CB 2.276 32.492 30.300 -0.139 0.000 1.187 420 R HN 0.615 nan 8.270 nan 0.000 0.464 421 L N 4.070 125.095 121.223 -0.330 0.000 2.319 421 L HA 0.465 4.805 4.340 -0.001 0.000 0.281 421 L C -1.508 175.139 176.870 -0.372 0.000 1.005 421 L CA -0.632 53.899 54.840 -0.515 0.000 0.828 421 L CB 1.638 43.255 42.059 -0.735 0.000 1.227 421 L HN 0.752 nan 8.230 nan 0.000 0.415 422 D N 5.856 126.090 120.400 -0.276 0.000 2.248 422 D HA 0.584 5.223 4.640 -0.001 0.000 0.246 422 D C -0.389 175.877 176.300 -0.057 0.000 1.027 422 D CA -0.022 53.889 54.000 -0.148 0.000 0.853 422 D CB 2.860 43.579 40.800 -0.136 0.000 1.243 422 D HN 0.367 nan 8.370 nan 0.000 0.462 423 I N 1.269 121.803 120.570 -0.061 0.000 2.647 423 I HA 0.383 4.552 4.170 -0.001 0.000 0.295 423 I C -0.162 175.952 176.117 -0.005 0.000 1.078 423 I CA -0.773 60.497 61.300 -0.050 0.000 1.048 423 I CB 2.236 40.093 38.000 -0.239 0.000 1.239 423 I HN -0.054 nan 8.210 nan 0.000 0.421 424 R N 6.053 126.580 120.500 0.045 0.000 2.476 424 R HA 0.611 4.950 4.340 -0.001 0.000 0.305 424 R C -1.358 174.883 176.300 -0.100 0.000 0.965 424 R CA -0.828 55.265 56.100 -0.012 0.000 0.867 424 R CB 2.181 32.510 30.300 0.048 0.000 1.176 424 R HN 0.482 nan 8.270 nan 0.000 0.447 425 L N 2.112 123.232 121.223 -0.170 0.000 2.292 425 L HA 0.499 4.838 4.340 -0.001 0.000 0.284 425 L C 0.607 177.314 176.870 -0.273 0.000 1.065 425 L CA -0.142 54.508 54.840 -0.318 0.000 0.806 425 L CB 1.573 43.400 42.059 -0.387 0.000 1.175 425 L HN 0.655 nan 8.230 nan 0.000 0.431 426 T N 0.903 115.265 114.554 -0.320 0.000 2.612 426 T HA 0.797 5.147 4.350 -0.001 0.000 0.296 426 T C -0.147 174.390 174.700 -0.272 0.000 1.148 426 T CA 0.433 62.387 62.100 -0.243 0.000 1.077 426 T CB 1.495 70.245 68.868 -0.197 0.000 1.591 426 T HN 1.011 nan 8.240 nan 0.000 0.479 427 G N 0.308 108.958 108.800 -0.250 0.000 2.445 427 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.212 427 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.212 427 G C -1.174 173.574 174.900 -0.254 0.000 1.217 427 G CA -0.195 44.752 45.100 -0.256 0.000 1.002 427 G HN 0.926 nan 8.290 nan 0.000 0.574 428 I N 0.794 121.205 120.570 -0.264 0.000 2.608 428 I HA 0.459 4.628 4.170 -0.001 0.000 0.295 428 I C 0.643 176.631 176.117 -0.215 0.000 1.049 428 I CA -0.921 60.214 61.300 -0.275 0.000 1.063 428 I CB 1.872 39.596 38.000 -0.461 0.000 1.248 428 I HN 0.519 nan 8.210 nan 0.000 0.424 429 L N 4.412 125.611 121.223 -0.040 0.000 2.485 429 L HA 0.045 4.385 4.340 -0.001 0.000 0.275 429 L C 0.876 177.712 176.870 -0.057 0.000 1.207 429 L CA 0.249 55.094 54.840 0.008 0.000 0.855 429 L CB -0.022 42.107 42.059 0.116 0.000 1.114 429 L HN 0.673 nan 8.230 nan 0.000 0.485 430 N N 1.750 120.417 118.700 -0.054 0.000 2.420 430 N HA 0.082 4.821 4.740 -0.001 0.000 0.262 430 N C -0.714 174.834 175.510 0.064 0.000 1.144 430 N CA -0.403 52.681 53.050 0.057 0.000 0.952 430 N CB 0.744 39.279 38.487 0.081 0.000 1.081 430 N HN 0.680 nan 8.380 nan 0.000 0.480 431 T N 1.013 115.695 114.554 0.214 0.000 2.912 431 T HA 0.374 4.723 4.350 -0.001 0.000 0.288 431 T C -0.926 173.880 174.700 0.177 0.000 1.030 431 T CA -0.703 61.481 62.100 0.141 0.000 1.020 431 T CB 1.613 70.604 68.868 0.205 0.000 1.056 431 T HN 0.504 nan 8.240 nan 0.000 0.480 432 Y N 1.248 121.437 120.300 -0.184 0.000 2.602 432 Y HA 0.676 5.226 4.550 -0.001 0.000 0.342 432 Y C -0.601 175.215 175.900 -0.139 0.000 1.029 432 Y CA -2.247 55.734 58.100 -0.198 0.000 1.080 432 Y CB 1.491 39.742 38.460 -0.348 0.000 1.284 432 Y HN 0.964 nan 8.280 nan 0.000 0.485 433 I N 4.008 123.901 120.570 -1.128 0.000 2.638 433 I HA 0.271 4.440 4.170 -0.001 0.000 0.286 433 I C -1.325 174.506 176.117 -0.477 0.000 1.088 433 I CA -0.392 60.486 61.300 -0.703 0.000 1.397 433 I CB 0.604 38.208 38.000 -0.660 0.000 1.414 433 I HN 0.584 nan 8.210 nan 0.000 0.566 434 L N 7.379 128.459 121.223 -0.238 0.000 2.381 434 L HA 0.628 4.967 4.340 -0.001 0.000 0.274 434 L C 0.082 176.903 176.870 -0.082 0.000 0.988 434 L CA -0.103 54.671 54.840 -0.110 0.000 0.824 434 L CB 1.459 43.467 42.059 -0.086 0.000 1.263 434 L HN 0.631 nan 8.230 nan 0.000 0.410 435 G N 2.599 111.378 108.800 -0.035 0.000 2.614 435 G HA2 0.058 4.017 3.960 -0.001 0.000 0.239 435 G HA3 0.058 4.017 3.960 -0.001 0.000 0.239 435 G C 0.445 175.333 174.900 -0.019 0.000 1.240 435 G CA -0.116 44.972 45.100 -0.020 0.000 0.842 435 G HN 0.808 nan 8.290 nan 0.000 0.584 436 D N 0.200 120.594 120.400 -0.009 0.000 2.133 436 D HA -0.110 4.529 4.640 -0.001 0.000 0.195 436 D C 0.979 177.273 176.300 -0.009 0.000 0.997 436 D CA 1.363 55.361 54.000 -0.003 0.000 0.840 436 D CB 0.267 41.072 40.800 0.009 0.000 0.947 436 D HN 0.406 nan 8.370 nan 0.000 0.452 437 D N 0.369 120.766 120.400 -0.004 0.000 2.462 437 D HA 0.027 4.666 4.640 -0.001 0.000 0.221 437 D C 0.270 176.570 176.300 0.000 0.000 1.173 437 D CA -0.080 53.917 54.000 -0.004 0.000 0.831 437 D CB 0.566 41.365 40.800 -0.001 0.000 1.001 437 D HN 0.287 nan 8.370 nan 0.000 0.499 438 E N 1.666 121.868 120.200 0.004 0.000 2.338 438 E HA 0.065 4.414 4.350 -0.001 0.000 0.272 438 E C -0.293 176.314 176.600 0.011 0.000 1.029 438 E CA -0.406 56.005 56.400 0.019 0.000 0.872 438 E CB 0.968 30.688 29.700 0.034 0.000 1.015 438 E HN -0.189 nan 8.360 nan 0.000 0.417 439 E N 2.929 123.139 120.200 0.016 0.000 2.229 439 E HA 0.200 4.549 4.350 -0.001 0.000 0.283 439 E C -0.157 176.454 176.600 0.019 0.000 1.030 439 E CA 0.034 56.434 56.400 -0.000 0.000 0.836 439 E CB 1.320 31.011 29.700 -0.017 0.000 1.068 439 E HN 0.532 nan 8.360 nan 0.000 0.401 440 A N 4.390 127.217 122.820 0.011 0.000 2.264 440 A HA 0.246 4.566 4.320 -0.001 0.000 0.207 440 A C 1.340 178.938 177.584 0.025 0.000 1.196 440 A CA 0.796 52.861 52.037 0.048 0.000 0.778 440 A CB -1.498 17.521 19.000 0.031 0.000 0.779 440 A HN 1.030 nan 8.150 nan 0.000 0.483 441 G N 0.204 108.974 108.800 -0.050 0.000 2.566 441 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.308 441 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.308 441 G C -0.794 173.929 174.900 -0.294 0.000 1.317 441 G CA 0.279 45.261 45.100 -0.198 0.000 0.930 441 G HN 0.391 nan 8.290 nan 0.000 0.547 442 P HA 0.087 nan 4.420 nan 0.000 0.245 442 P C 1.116 178.220 177.300 -0.327 0.000 1.203 442 P CA 1.357 64.106 63.100 -0.584 0.000 0.792 442 P CB -0.062 31.110 31.700 -0.880 0.000 0.997 443 W N 0.676 122.015 121.300 0.064 0.000 3.003 443 W HA 0.366 5.025 4.660 -0.001 0.000 0.257 443 W C 1.065 177.661 176.519 0.130 0.000 1.308 443 W CA -0.116 57.267 57.345 0.062 0.000 1.529 443 W CB 0.236 29.678 29.460 -0.031 0.000 1.115 443 W HN -0.010 nan 8.180 nan 0.000 0.659 444 G N -0.578 108.402 108.800 0.299 0.000 2.606 444 G HA2 0.518 4.478 3.960 -0.001 0.000 0.300 444 G HA3 0.518 4.478 3.960 -0.001 0.000 0.300 444 G C -1.463 173.520 174.900 0.139 0.000 1.360 444 G CA -0.639 44.623 45.100 0.269 0.000 0.783 444 G HN -0.288 nan 8.290 nan 0.000 0.484 445 T N -0.011 114.596 114.554 0.089 0.000 2.861 445 T HA 0.495 4.844 4.350 -0.001 0.000 0.287 445 T C -0.107 174.581 174.700 -0.020 0.000 1.003 445 T CA -0.635 61.486 62.100 0.035 0.000 0.977 445 T CB 1.955 70.852 68.868 0.048 0.000 0.996 445 T HN 0.575 nan 8.240 nan 0.000 0.448 446 R N 2.686 123.166 120.500 -0.033 0.000 2.272 446 R HA 0.317 4.656 4.340 -0.001 0.000 0.334 446 R C 0.934 177.186 176.300 -0.079 0.000 1.117 446 R CA -0.230 55.827 56.100 -0.073 0.000 0.966 446 R CB -0.194 30.066 30.300 -0.067 0.000 1.049 446 R HN 0.573 nan 8.270 nan 0.000 0.477 447 V N 2.127 121.957 119.914 -0.139 0.000 3.647 447 V HA 0.301 4.420 4.120 -0.001 0.000 0.279 447 V C -0.388 175.687 176.094 -0.032 0.000 1.314 447 V CA -0.077 62.152 62.300 -0.118 0.000 1.125 447 V CB -0.907 30.776 31.823 -0.234 0.000 0.907 447 V HN 0.696 nan 8.190 nan 0.000 0.434 448 Y N -0.876 119.268 120.300 -0.261 0.000 2.598 448 Y HA 0.523 5.072 4.550 -0.001 0.000 0.333 448 Y C -3.172 172.584 175.900 -0.240 0.000 1.196 448 Y CA -2.047 55.943 58.100 -0.183 0.000 1.145 448 Y CB 1.486 39.853 38.460 -0.154 0.000 1.349 448 Y HN -0.094 nan 8.280 nan 0.000 0.469 449 P HA 0.078 nan 4.420 nan 0.000 0.261 449 P C -0.454 176.582 177.300 -0.439 0.000 1.173 449 P CA 1.265 63.947 63.100 -0.696 0.000 0.760 449 P CB 0.294 31.226 31.700 -1.281 0.000 0.783 450 N N -0.429 118.119 118.700 -0.253 0.000 2.828 450 N HA -0.134 4.605 4.740 -0.001 0.000 0.248 450 N C -0.782 174.633 175.510 -0.160 0.000 1.044 450 N CA 0.760 53.715 53.050 -0.159 0.000 0.851 450 N CB -1.430 36.989 38.487 -0.113 0.000 1.136 450 N HN 0.177 nan 8.380 nan 0.000 0.572 451 V N 1.235 121.054 119.914 -0.158 0.000 2.409 451 V HA 0.326 4.445 4.120 -0.001 0.000 0.291 451 V C 0.297 176.278 176.094 -0.188 0.000 1.020 451 V CA -0.799 61.393 62.300 -0.180 0.000 0.848 451 V CB 2.026 33.703 31.823 -0.244 0.000 0.990 451 V HN 0.195 nan 8.190 nan 0.000 0.430 452 N N 3.163 121.759 118.700 -0.173 0.000 2.476 452 N HA 0.638 5.378 4.740 -0.001 0.000 0.257 452 N C -0.408 174.971 175.510 -0.218 0.000 0.970 452 N CA -0.441 52.521 53.050 -0.146 0.000 0.938 452 N CB 1.265 39.705 38.487 -0.077 0.000 1.144 452 N HN 0.834 nan 8.380 nan 0.000 0.500 453 A N 3.559 126.287 122.820 -0.153 0.000 2.294 453 A HA 0.259 4.578 4.320 -0.001 0.000 0.316 453 A C -0.593 176.994 177.584 0.005 0.000 1.359 453 A CA -0.426 51.541 52.037 -0.116 0.000 0.956 453 A CB -0.100 18.848 19.000 -0.087 0.000 1.155 453 A HN 0.843 nan 8.150 nan 0.000 0.544 454 H N 2.088 121.177 119.070 0.031 0.000 2.771 454 H HA 0.073 4.628 4.556 -0.001 0.000 0.364 454 H C 0.229 175.646 175.328 0.149 0.000 1.133 454 H CA -0.420 55.670 56.048 0.070 0.000 1.423 454 H CB 0.685 30.443 29.762 -0.008 0.000 1.425 454 H HN 0.664 nan 8.280 nan 0.000 0.606 455 N N 2.665 121.534 118.700 0.281 0.000 2.453 455 N HA 0.028 4.767 4.740 -0.001 0.000 0.253 455 N C -0.199 175.363 175.510 0.088 0.000 1.252 455 N CA 0.330 53.438 53.050 0.098 0.000 0.917 455 N CB 0.510 39.081 38.487 0.141 0.000 1.117 455 N HN 0.700 nan 8.380 nan 0.000 0.442 456 H N -2.067 116.904 119.070 -0.164 0.000 3.024 456 H HA 0.308 4.863 4.556 -0.001 0.000 0.324 456 H C -1.416 173.797 175.328 -0.193 0.000 1.347 456 H CA -0.767 55.189 56.048 -0.153 0.000 1.182 456 H CB 0.829 30.513 29.762 -0.131 0.000 1.889 456 H HN 0.416 nan 8.280 nan 0.000 0.528 457 Q N 0.681 120.374 119.800 -0.179 0.000 2.297 457 Q HA 0.388 4.727 4.340 -0.001 0.000 0.268 457 Q C -0.756 175.134 176.000 -0.183 0.000 1.045 457 Q CA -1.010 54.693 55.803 -0.167 0.000 0.861 457 Q CB 2.380 31.052 28.738 -0.110 0.000 1.344 457 Q HN 0.516 nan 8.270 nan 0.000 0.452 458 H N 1.617 120.705 119.070 0.030 0.000 2.762 458 H HA 0.399 4.954 4.556 -0.001 0.000 0.310 458 H C -0.980 174.241 175.328 -0.179 0.000 1.004 458 H CA -0.228 55.806 56.048 -0.023 0.000 1.267 458 H CB 0.697 30.564 29.762 0.176 0.000 1.437 458 H HN 0.360 nan 8.280 nan 0.000 0.498 459 L N 4.104 125.170 121.223 -0.261 0.000 2.346 459 L HA 0.449 4.788 4.340 -0.001 0.000 0.276 459 L C -0.748 175.884 176.870 -0.396 0.000 1.006 459 L CA -0.762 53.966 54.840 -0.186 0.000 0.817 459 L CB 1.285 43.327 42.059 -0.028 0.000 1.272 459 L HN 0.298 nan 8.230 nan 0.000 0.421 460 F N 0.203 120.013 119.950 -0.233 0.000 2.538 460 F HA 0.449 4.975 4.527 -0.001 0.000 0.325 460 F C 0.418 176.120 175.800 -0.163 0.000 1.066 460 F CA -0.813 57.001 58.000 -0.311 0.000 0.946 460 F CB 2.106 40.679 39.000 -0.712 0.000 1.199 460 F HN 0.241 nan 8.300 nan 0.000 0.473 461 S N 3.303 118.944 115.700 -0.098 0.000 2.577 461 S HA 0.394 4.863 4.470 -0.001 0.000 0.294 461 S C -0.863 173.814 174.600 0.128 0.000 1.161 461 S CA -0.593 57.528 58.200 -0.133 0.000 1.143 461 S CB -0.036 62.629 63.200 -0.890 0.000 0.991 461 S HN 0.634 nan 8.310 nan 0.000 0.475 462 L N 5.693 127.110 121.223 0.323 0.000 2.418 462 L HA 0.395 4.734 4.340 -0.001 0.000 0.274 462 L C 0.357 177.269 176.870 0.069 0.000 1.135 462 L CA -0.111 54.881 54.840 0.253 0.000 0.870 462 L CB 0.409 42.633 42.059 0.275 0.000 1.154 462 L HN 0.656 nan 8.230 nan 0.000 0.462 463 R N 6.416 126.847 120.500 -0.115 0.000 2.265 463 R HA 0.523 4.862 4.340 -0.001 0.000 0.328 463 R C -1.188 174.872 176.300 -0.399 0.000 0.969 463 R CA -0.535 55.248 56.100 -0.527 0.000 0.832 463 R CB 0.798 30.740 30.300 -0.597 0.000 1.139 463 R HN 0.637 nan 8.270 nan 0.000 0.457 464 I N 3.762 124.100 120.570 -0.386 0.000 2.382 464 I HA 0.167 4.336 4.170 -0.001 0.000 0.286 464 I C -0.645 175.339 176.117 -0.223 0.000 1.002 464 I CA -0.767 60.322 61.300 -0.351 0.000 1.135 464 I CB 1.850 39.607 38.000 -0.404 0.000 1.288 464 I HN 0.531 nan 8.210 nan 0.000 0.448 465 D N 9.746 130.048 120.400 -0.163 0.000 2.473 465 D HA 0.314 4.953 4.640 -0.001 0.000 0.226 465 D C -2.511 173.829 176.300 0.067 0.000 1.089 465 D CA -2.090 51.904 54.000 -0.010 0.000 0.883 465 D CB 1.366 42.196 40.800 0.050 0.000 1.029 465 D HN 0.150 nan 8.370 nan 0.000 0.517 466 P HA 0.345 nan 4.420 nan 0.000 0.279 466 P C -0.494 176.887 177.300 0.135 0.000 1.252 466 P CA -0.616 62.626 63.100 0.238 0.000 0.811 466 P CB 1.367 33.193 31.700 0.211 0.000 1.035 467 R N 2.036 122.607 120.500 0.118 0.000 2.583 467 R HA 0.260 4.599 4.340 -0.001 0.000 0.282 467 R C -0.156 176.166 176.300 0.036 0.000 1.288 467 R CA -0.352 55.780 56.100 0.055 0.000 1.415 467 R CB -0.169 30.170 30.300 0.064 0.000 1.331 467 R HN 0.311 nan 8.270 nan 0.000 0.719 468 I N 2.577 123.178 120.570 0.051 0.000 2.792 468 I HA -0.059 4.110 4.170 -0.001 0.000 0.284 468 I C 0.509 176.722 176.117 0.160 0.000 1.166 468 I CA 1.000 62.367 61.300 0.112 0.000 1.375 468 I CB -0.329 37.780 38.000 0.181 0.000 1.421 468 I HN 0.619 nan 8.210 nan 0.000 0.544 469 D N 5.050 125.587 120.400 0.228 0.000 2.751 469 D HA -0.151 4.488 4.640 -0.001 0.000 0.233 469 D C 0.570 176.884 176.300 0.024 0.000 1.149 469 D CA 1.674 55.722 54.000 0.080 0.000 0.682 469 D CB -0.662 40.068 40.800 -0.117 0.000 1.068 469 D HN 1.208 nan 8.370 nan 0.000 0.429 470 G N -1.002 107.823 108.800 0.041 0.000 2.362 470 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.517 470 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.517 470 G C -1.109 173.795 174.900 0.007 0.000 1.256 470 G CA -0.258 44.851 45.100 0.016 0.000 1.027 470 G HN 0.216 nan 8.290 nan 0.000 0.491 471 D N 0.629 121.024 120.400 -0.009 0.000 2.283 471 D HA 0.537 5.177 4.640 -0.001 0.000 0.248 471 D C 0.787 177.075 176.300 -0.020 0.000 1.072 471 D CA 1.283 55.269 54.000 -0.023 0.000 0.929 471 D CB 1.278 42.057 40.800 -0.035 0.000 1.182 471 D HN 2.047 nan 8.370 nan 0.000 0.433 472 G N 1.384 110.168 108.800 -0.027 0.000 2.897 472 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.436 472 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.436 472 G C -0.720 174.152 174.900 -0.045 0.000 1.079 472 G CA -0.771 44.312 45.100 -0.028 0.000 1.090 472 G HN 0.413 nan 8.290 nan 0.000 0.480 473 N N -0.320 118.344 118.700 -0.061 0.000 2.453 473 N HA 0.884 5.623 4.740 -0.001 0.000 0.290 473 N C -0.162 175.223 175.510 -0.208 0.000 1.250 473 N CA -0.361 52.616 53.050 -0.122 0.000 0.815 473 N CB 2.181 40.641 38.487 -0.046 0.000 1.381 473 N HN 0.471 nan 8.380 nan 0.000 0.510 474 S N -0.734 114.691 115.700 -0.458 0.000 2.651 474 S HA 0.924 5.393 4.470 -0.001 0.000 0.279 474 S C -1.274 173.050 174.600 -0.461 0.000 1.148 474 S CA -0.697 57.186 58.200 -0.528 0.000 0.837 474 S CB 2.039 64.705 63.200 -0.890 0.000 1.138 474 S HN 0.714 nan 8.310 nan 0.000 0.478 475 A N 0.346 123.123 122.820 -0.073 0.000 2.454 475 A HA 1.004 5.324 4.320 -0.001 0.000 0.302 475 A C -1.024 176.559 177.584 -0.001 0.000 1.079 475 A CA -0.557 51.613 52.037 0.223 0.000 0.731 475 A CB 1.561 20.890 19.000 0.548 0.000 1.299 475 A HN 1.427 nan 8.150 nan 0.000 0.413 476 A N -0.145 122.648 122.820 -0.045 0.000 2.594 476 A HA 0.864 5.183 4.320 -0.001 0.000 0.295 476 A C -0.338 177.100 177.584 -0.244 0.000 1.071 476 A CA 0.040 51.778 52.037 -0.499 0.000 0.685 476 A CB 0.979 19.950 19.000 -0.050 0.000 1.285 476 A HN 2.459 nan 8.150 nan 0.000 0.405 477 A N -0.104 122.542 122.820 -0.289 0.000 2.310 477 A HA 0.602 4.921 4.320 -0.001 0.000 0.299 477 A C -0.322 177.176 177.584 -0.144 0.000 1.147 477 A CA -0.304 51.679 52.037 -0.090 0.000 0.818 477 A CB 0.180 19.266 19.000 0.144 0.000 1.096 477 A HN 1.271 nan 8.150 nan 0.000 0.495 478 C N 2.466 121.633 119.300 -0.220 0.000 2.316 478 C HA 0.556 5.016 4.460 -0.001 0.000 0.324 478 C C -0.878 174.005 174.990 -0.178 0.000 1.226 478 C CA -0.901 58.027 59.018 -0.150 0.000 1.450 478 C CB 0.091 27.771 27.740 -0.099 0.000 2.123 478 C HN 0.793 nan 8.230 nan 0.000 0.454 479 D N 2.256 122.564 120.400 -0.153 0.000 2.375 479 D HA 0.511 5.150 4.640 -0.001 0.000 0.247 479 D C -0.203 175.979 176.300 -0.197 0.000 1.061 479 D CA 0.092 53.989 54.000 -0.172 0.000 0.834 479 D CB 2.188 42.897 40.800 -0.151 0.000 1.247 479 D HN 0.650 nan 8.370 nan 0.000 0.489 480 A N 2.782 125.494 122.820 -0.181 0.000 2.401 480 A HA 0.452 4.771 4.320 -0.001 0.000 0.259 480 A C 0.128 177.563 177.584 -0.249 0.000 1.103 480 A CA -0.019 51.902 52.037 -0.193 0.000 0.789 480 A CB 0.470 19.366 19.000 -0.173 0.000 1.035 480 A HN 0.468 nan 8.150 nan 0.000 0.491 481 K N 1.396 121.601 120.400 -0.324 0.000 2.527 481 K HA 0.423 4.743 4.320 -0.001 0.000 0.260 481 K C -0.750 175.823 176.600 -0.046 0.000 0.937 481 K CA -0.608 55.521 56.287 -0.264 0.000 0.826 481 K CB 2.282 34.550 32.500 -0.387 0.000 1.359 481 K HN 0.660 nan 8.250 nan 0.000 0.434 482 S N 0.818 116.557 115.700 0.065 0.000 2.585 482 S HA 0.036 4.505 4.470 -0.001 0.000 0.273 482 S C 0.222 175.013 174.600 0.318 0.000 1.339 482 S CA -0.354 57.965 58.200 0.199 0.000 1.028 482 S CB 1.179 64.452 63.200 0.123 0.000 0.906 482 S HN 0.589 nan 8.310 nan 0.000 0.528 483 S N 2.740 118.649 115.700 0.349 0.000 2.558 483 S HA 0.095 4.564 4.470 -0.001 0.000 0.288 483 S C -1.147 173.585 174.600 0.220 0.000 1.318 483 S CA -1.097 57.300 58.200 0.329 0.000 1.056 483 S CB 0.343 63.708 63.200 0.275 0.000 0.853 483 S HN 0.565 nan 8.310 nan 0.000 0.505 484 P HA -0.009 nan 4.420 nan 0.000 0.229 484 P C -0.214 177.014 177.300 -0.120 0.000 1.160 484 P CA 0.542 63.629 63.100 -0.023 0.000 0.777 484 P CB -0.101 31.527 31.700 -0.119 0.000 0.814 485 Y N 2.810 123.134 120.300 0.040 0.000 2.497 485 Y HA 0.147 4.696 4.550 -0.001 0.000 0.334 485 Y C -1.247 174.671 175.900 0.031 0.000 1.199 485 Y CA -2.099 56.016 58.100 0.024 0.000 1.425 485 Y CB -0.466 38.001 38.460 0.012 0.000 1.291 485 Y HN 0.054 nan 8.280 nan 0.000 0.562 486 P HA 0.032 nan 4.420 nan 0.000 0.276 486 P C -0.455 176.895 177.300 0.085 0.000 1.252 486 P CA -0.523 62.632 63.100 0.091 0.000 0.802 486 P CB 1.199 32.933 31.700 0.056 0.000 1.035 487 L N 0.962 122.219 121.223 0.056 0.000 2.525 487 L HA 0.094 4.433 4.340 -0.001 0.000 0.278 487 L C 1.441 178.310 176.870 -0.001 0.000 1.218 487 L CA 1.887 56.746 54.840 0.032 0.000 0.878 487 L CB -0.736 41.340 42.059 0.028 0.000 1.127 487 L HN 0.910 nan 8.230 nan 0.000 0.492 488 G N 2.575 111.345 108.800 -0.050 0.000 2.176 488 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.253 488 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.253 488 G C 0.270 175.138 174.900 -0.052 0.000 0.979 488 G CA 0.384 45.435 45.100 -0.081 0.000 0.641 488 G HN 0.952 nan 8.290 nan 0.000 0.530 489 S N 0.018 115.712 115.700 -0.010 0.000 2.617 489 S HA 0.649 5.118 4.470 -0.001 0.000 0.269 489 S C -0.949 173.628 174.600 -0.038 0.000 1.292 489 S CA -0.679 57.528 58.200 0.011 0.000 1.010 489 S CB 2.302 65.564 63.200 0.103 0.000 0.944 489 S HN -0.035 nan 8.310 nan 0.000 0.536 490 P HA -0.054 nan 4.420 nan 0.000 0.218 490 P C 0.738 177.969 177.300 -0.115 0.000 1.148 490 P CA 1.115 64.168 63.100 -0.079 0.000 0.822 490 P CB 0.006 31.660 31.700 -0.076 0.000 0.784 491 E N -1.730 118.354 120.200 -0.195 0.000 2.285 491 E HA -0.043 4.306 4.350 -0.001 0.000 0.194 491 E C 0.789 177.311 176.600 -0.129 0.000 0.997 491 E CA 0.720 56.937 56.400 -0.305 0.000 0.845 491 E CB -0.397 28.775 29.700 -0.880 0.000 0.782 491 E HN 0.100 nan 8.360 nan 0.000 0.491 492 N N -0.439 118.245 118.700 -0.025 0.000 2.636 492 N HA 0.095 4.834 4.740 -0.001 0.000 0.287 492 N C 0.267 175.798 175.510 0.036 0.000 1.817 492 N CA -0.042 53.041 53.050 0.056 0.000 0.842 492 N CB 0.033 38.599 38.487 0.131 0.000 1.353 492 N HN -0.080 nan 8.380 nan 0.000 0.500 493 M N 0.267 119.858 119.600 -0.016 0.000 2.103 493 M HA -0.150 4.329 4.480 -0.001 0.000 0.255 493 M C 0.185 176.298 176.300 -0.312 0.000 1.074 493 M CA 2.082 57.265 55.300 -0.195 0.000 1.090 493 M CB -0.352 32.070 32.600 -0.297 0.000 1.325 493 M HN 0.375 nan 8.290 nan 0.000 0.403 494 Y N -0.799 119.516 120.300 0.025 0.000 2.485 494 Y HA 0.466 5.016 4.550 -0.001 0.000 0.260 494 Y C 1.450 177.377 175.900 0.046 0.000 1.173 494 Y CA -0.043 58.076 58.100 0.031 0.000 1.252 494 Y CB -0.476 37.999 38.460 0.025 0.000 1.123 494 Y HN 0.421 nan 8.280 nan 0.000 0.524 495 G N 1.749 110.643 108.800 0.157 0.000 2.258 495 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.274 495 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.274 495 G C 0.875 175.870 174.900 0.158 0.000 1.021 495 G CA 0.837 46.020 45.100 0.138 0.000 0.798 495 G HN 0.599 nan 8.290 nan 0.000 0.507 496 N N -0.358 118.448 118.700 0.177 0.000 2.236 496 N HA 0.388 5.128 4.740 -0.001 0.000 0.196 496 N C 0.973 176.617 175.510 0.223 0.000 1.114 496 N CA 0.613 53.776 53.050 0.187 0.000 0.859 496 N CB 0.152 38.728 38.487 0.149 0.000 0.982 496 N HN 0.907 nan 8.380 nan 0.000 0.493 497 A N 1.039 123.969 122.820 0.183 0.000 2.488 497 A HA 0.453 4.772 4.320 -0.001 0.000 0.249 497 A C -0.493 177.272 177.584 0.302 0.000 1.083 497 A CA -0.250 51.881 52.037 0.157 0.000 0.768 497 A CB -0.493 18.583 19.000 0.126 0.000 1.017 497 A HN 0.473 nan 8.150 nan 0.000 0.496 498 F N 0.981 121.020 119.950 0.148 0.000 2.654 498 F HA 0.736 5.262 4.527 -0.001 0.000 0.308 498 F C -1.045 174.891 175.800 0.227 0.000 1.108 498 F CA -1.466 56.639 58.000 0.174 0.000 0.957 498 F CB 0.800 39.839 39.000 0.065 0.000 1.309 498 F HN 0.752 nan 8.300 nan 0.000 0.446 499 Y N -0.108 120.365 120.300 0.288 0.000 2.805 499 Y HA 0.819 5.369 4.550 -0.000 0.000 0.323 499 Y C -1.324 174.692 175.900 0.193 0.000 1.279 499 Y CA -1.753 56.434 58.100 0.146 0.000 1.103 499 Y CB 0.957 39.452 38.460 0.058 0.000 1.324 499 Y HN 0.814 nan 8.280 nan 0.000 0.498 500 S N 0.498 116.223 115.700 0.043 0.000 2.456 500 S HA 0.325 4.794 4.470 -0.001 0.000 0.316 500 S C -1.106 173.470 174.600 -0.040 0.000 1.089 500 S CA -0.580 57.572 58.200 -0.081 0.000 1.101 500 S CB 0.403 63.618 63.200 0.025 0.000 0.995 500 S HN 0.730 nan 8.310 nan 0.000 0.468 501 E N 3.847 123.936 120.200 -0.186 0.000 2.167 501 E HA 0.257 4.606 4.350 -0.001 0.000 0.284 501 E C -0.586 176.013 176.600 -0.002 0.000 1.016 501 E CA -0.472 55.938 56.400 0.017 0.000 0.817 501 E CB 0.568 30.263 29.700 -0.009 0.000 1.080 501 E HN 0.556 nan 8.360 nan 0.000 0.397 502 K N 3.576 123.991 120.400 0.024 0.000 2.263 502 K HA 0.230 4.549 4.320 -0.001 0.000 0.272 502 K C -1.227 175.371 176.600 -0.004 0.000 1.033 502 K CA -0.393 55.876 56.287 -0.029 0.000 0.884 502 K CB 1.186 33.638 32.500 -0.080 0.000 1.107 502 K HN 0.380 nan 8.250 nan 0.000 0.460 503 T N 3.350 117.898 114.554 -0.010 0.000 2.874 503 T HA 0.073 4.422 4.350 -0.001 0.000 0.321 503 T C -0.283 174.393 174.700 -0.040 0.000 1.075 503 T CA -0.472 61.653 62.100 0.042 0.000 0.966 503 T CB 0.879 69.823 68.868 0.127 0.000 1.001 503 T HN 0.660 nan 8.240 nan 0.000 0.476 504 T N 2.695 117.262 114.554 0.021 0.000 2.817 504 T HA 0.485 4.835 4.350 -0.001 0.000 0.293 504 T C -0.103 174.683 174.700 0.143 0.000 0.964 504 T CA -0.688 61.427 62.100 0.024 0.000 1.085 504 T CB -0.130 68.885 68.868 0.246 0.000 0.921 504 T HN 0.221 nan 8.240 nan 0.000 0.502 505 F N 3.983 124.058 119.950 0.209 0.000 2.506 505 F HA 0.385 4.911 4.527 -0.001 0.000 0.371 505 F C 1.358 177.224 175.800 0.110 0.000 1.078 505 F CA -0.994 57.094 58.000 0.146 0.000 1.195 505 F CB 0.529 39.614 39.000 0.142 0.000 1.099 505 F HN 0.702 nan 8.300 nan 0.000 0.548 506 K N 0.386 120.951 120.400 0.276 0.000 2.244 506 K HA 0.095 4.414 4.320 -0.001 0.000 0.200 506 K C 0.685 177.363 176.600 0.131 0.000 1.052 506 K CA 0.681 57.069 56.287 0.170 0.000 0.980 506 K CB 0.345 32.924 32.500 0.132 0.000 0.838 506 K HN 0.565 nan 8.250 nan 0.000 0.481 507 T N -0.619 114.006 114.554 0.119 0.000 2.916 507 T HA 0.179 4.529 4.350 -0.001 0.000 0.292 507 T C 1.079 175.799 174.700 0.033 0.000 1.055 507 T CA -0.704 61.437 62.100 0.068 0.000 1.009 507 T CB 1.940 70.838 68.868 0.050 0.000 1.118 507 T HN -0.275 nan 8.240 nan 0.000 0.497 508 V N 2.858 122.778 119.914 0.011 0.000 2.282 508 V HA -0.183 3.936 4.120 -0.001 0.000 0.249 508 V C 2.645 178.674 176.094 -0.110 0.000 1.057 508 V CA 2.048 64.327 62.300 -0.035 0.000 1.032 508 V CB -0.518 31.299 31.823 -0.011 0.000 0.645 508 V HN 0.831 nan 8.190 nan 0.000 0.447 509 K N -0.172 120.181 120.400 -0.079 0.000 2.113 509 K HA -0.269 4.050 4.320 -0.001 0.000 0.208 509 K C 1.791 178.295 176.600 -0.160 0.000 1.047 509 K CA 2.057 58.280 56.287 -0.107 0.000 0.928 509 K CB -0.281 32.189 32.500 -0.051 0.000 0.716 509 K HN 0.531 nan 8.250 nan 0.000 0.446 510 D N -0.092 120.231 120.400 -0.129 0.000 2.218 510 D HA -0.122 4.517 4.640 -0.001 0.000 0.204 510 D C 1.924 177.854 176.300 -0.616 0.000 0.976 510 D CA 1.477 55.387 54.000 -0.150 0.000 0.853 510 D CB -0.093 40.761 40.800 0.090 0.000 0.939 510 D HN 0.359 nan 8.370 nan 0.000 0.481 511 S N 0.261 115.438 115.700 -0.872 0.000 2.461 511 S HA -0.044 4.426 4.470 -0.001 0.000 0.228 511 S C 1.330 175.458 174.600 -0.787 0.000 1.005 511 S CA -0.077 57.211 58.200 -1.520 0.000 0.942 511 S CB -0.565 62.148 63.200 -0.811 0.000 0.776 511 S HN 0.180 nan 8.310 nan 0.000 0.514 512 L N 3.828 124.725 121.223 -0.542 0.000 2.574 512 L HA 0.215 4.555 4.340 -0.001 0.000 0.281 512 L C 0.410 177.097 176.870 -0.305 0.000 1.212 512 L CA -0.185 54.292 54.840 -0.605 0.000 1.082 512 L CB -1.171 40.335 42.059 -0.921 0.000 1.362 512 L HN 0.408 nan 8.230 nan 0.000 0.451 513 T N -1.378 113.169 114.554 -0.011 0.000 2.916 513 T HA 0.551 4.901 4.350 -0.001 0.000 0.292 513 T C -0.283 174.696 174.700 0.466 0.000 1.064 513 T CA -1.089 61.189 62.100 0.297 0.000 1.011 513 T CB 2.481 71.641 68.868 0.488 0.000 1.152 513 T HN 0.177 nan 8.240 nan 0.000 0.510 514 N N -0.159 118.832 118.700 0.485 0.000 2.362 514 N HA 0.370 5.109 4.740 -0.001 0.000 0.299 514 N C -1.349 174.535 175.510 0.623 0.000 1.170 514 N CA -0.642 52.707 53.050 0.498 0.000 0.825 514 N CB 1.392 40.058 38.487 0.299 0.000 1.299 514 N HN 0.766 nan 8.380 nan 0.000 0.502 515 Y N 0.950 121.601 120.300 0.585 0.000 2.480 515 Y HA 0.084 4.633 4.550 -0.001 0.000 0.338 515 Y C -0.266 175.768 175.900 0.224 0.000 1.220 515 Y CA 0.472 58.857 58.100 0.475 0.000 1.430 515 Y CB 0.571 39.322 38.460 0.484 0.000 1.311 515 Y HN 0.300 nan 8.280 nan 0.000 0.575 516 E N 3.312 123.002 120.200 -0.850 0.000 2.265 516 E HA 0.134 4.484 4.350 -0.001 0.000 0.262 516 E C 0.288 176.366 176.600 -0.871 0.000 0.889 516 E CA -0.009 56.029 56.400 -0.604 0.000 0.789 516 E CB 1.660 31.183 29.700 -0.295 0.000 1.221 516 E HN 0.784 nan 8.360 nan 0.000 0.414 517 S N 1.485 116.846 115.700 -0.565 0.000 2.423 517 S HA -0.132 4.337 4.470 -0.001 0.000 0.231 517 S C 1.844 176.335 174.600 -0.181 0.000 1.014 517 S CA 0.880 58.911 58.200 -0.281 0.000 0.965 517 S CB -0.054 63.136 63.200 -0.016 0.000 0.785 517 S HN 0.475 nan 8.310 nan 0.000 0.495 518 A N 1.896 124.615 122.820 -0.168 0.000 2.070 518 A HA -0.013 4.306 4.320 -0.001 0.000 0.220 518 A C 2.263 179.765 177.584 -0.137 0.000 1.159 518 A CA 1.787 53.752 52.037 -0.119 0.000 0.656 518 A CB -0.959 17.985 19.000 -0.093 0.000 0.800 518 A HN 0.787 nan 8.150 nan 0.000 0.453 519 T N -5.513 108.932 114.554 -0.183 0.000 3.091 519 T HA 0.434 4.783 4.350 -0.001 0.000 0.277 519 T C 1.093 175.689 174.700 -0.173 0.000 0.996 519 T CA 0.893 62.888 62.100 -0.175 0.000 0.897 519 T CB -0.035 68.728 68.868 -0.176 0.000 1.109 519 T HN 1.606 nan 8.240 nan 0.000 0.534 520 G N 2.843 111.544 108.800 -0.164 0.000 2.379 520 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.297 520 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.297 520 G C 0.085 174.969 174.900 -0.027 0.000 1.004 520 G CA 0.398 45.475 45.100 -0.039 0.000 0.921 520 G HN 0.955 nan 8.290 nan 0.000 0.511 521 R N -0.001 120.383 120.500 -0.195 0.000 2.638 521 R HA 0.331 4.670 4.340 -0.001 0.000 0.268 521 R C 0.763 176.922 176.300 -0.235 0.000 1.006 521 R CA 0.988 56.918 56.100 -0.283 0.000 1.088 521 R CB 0.215 30.226 30.300 -0.482 0.000 0.950 521 R HN 0.705 nan 8.270 nan 0.000 0.419 522 S N 3.590 119.050 115.700 -0.400 0.000 2.661 522 S HA 0.603 5.072 4.470 -0.001 0.000 0.285 522 S C -1.248 173.153 174.600 -0.331 0.000 1.138 522 S CA -1.055 57.008 58.200 -0.228 0.000 0.855 522 S CB 1.401 64.598 63.200 -0.005 0.000 1.136 522 S HN 0.634 nan 8.310 nan 0.000 0.484 523 W N 0.558 121.959 121.300 0.167 0.000 2.819 523 W HA 0.452 5.111 4.660 -0.001 0.000 0.337 523 W C -1.354 175.253 176.519 0.146 0.000 1.077 523 W CA -0.442 57.032 57.345 0.214 0.000 1.226 523 W CB 2.112 31.827 29.460 0.426 0.000 1.419 523 W HN 0.627 nan 8.180 nan 0.000 0.502 524 D N 2.022 122.648 120.400 0.377 0.000 2.248 524 D HA 0.511 5.151 4.640 -0.001 0.000 0.246 524 D C -0.452 176.104 176.300 0.427 0.000 1.027 524 D CA -0.371 53.821 54.000 0.320 0.000 0.853 524 D CB 2.214 43.149 40.800 0.225 0.000 1.243 524 D HN 0.091 nan 8.370 nan 0.000 0.462 525 I N 3.235 124.007 120.570 0.338 0.000 2.382 525 I HA 0.353 4.522 4.170 -0.001 0.000 0.285 525 I C -0.665 175.667 176.117 0.358 0.000 1.007 525 I CA -0.862 60.598 61.300 0.267 0.000 1.142 525 I CB 0.291 38.358 38.000 0.111 0.000 1.289 525 I HN 0.218 nan 8.210 nan 0.000 0.453 526 F N 3.486 123.517 119.950 0.135 0.000 2.664 526 F HA 0.541 5.067 4.527 -0.001 0.000 0.329 526 F C -0.660 175.199 175.800 0.098 0.000 1.090 526 F CA -1.526 56.547 58.000 0.121 0.000 0.978 526 F CB 1.258 40.309 39.000 0.085 0.000 1.378 526 F HN 0.261 nan 8.300 nan 0.000 0.495 527 N N 2.008 120.856 118.700 0.247 0.000 2.558 527 N HA 0.361 5.100 4.740 -0.001 0.000 0.242 527 N C -2.053 173.571 175.510 0.190 0.000 0.979 527 N CA -2.173 50.938 53.050 0.102 0.000 0.931 527 N CB 1.424 39.960 38.487 0.082 0.000 1.122 527 N HN 0.384 nan 8.380 nan 0.000 0.508 528 P HA -0.086 nan 4.420 nan 0.000 0.230 528 P C -0.124 177.241 177.300 0.109 0.000 1.158 528 P CA 0.896 64.126 63.100 0.217 0.000 0.769 528 P CB 0.292 32.089 31.700 0.162 0.000 0.807 529 N N -0.130 118.607 118.700 0.062 0.000 2.398 529 N HA 0.058 4.797 4.740 -0.001 0.000 0.188 529 N C 0.589 176.110 175.510 0.018 0.000 1.122 529 N CA 0.532 53.601 53.050 0.031 0.000 0.866 529 N CB 0.475 38.970 38.487 0.013 0.000 0.970 529 N HN 0.373 nan 8.380 nan 0.000 0.462 530 K N 0.179 120.594 120.400 0.024 0.000 2.433 530 K HA 0.653 4.973 4.320 -0.001 0.000 0.252 530 K C -1.004 175.592 176.600 -0.006 0.000 1.015 530 K CA -0.760 55.521 56.287 -0.009 0.000 0.860 530 K CB 2.952 35.427 32.500 -0.042 0.000 1.359 530 K HN -0.322 nan 8.250 nan 0.000 0.452 531 V N 0.937 120.831 119.914 -0.034 0.000 2.808 531 V HA 0.203 4.322 4.120 -0.001 0.000 0.308 531 V C -0.705 175.358 176.094 -0.051 0.000 1.099 531 V CA -1.188 61.092 62.300 -0.032 0.000 0.920 531 V CB 1.832 33.641 31.823 -0.023 0.000 1.014 531 V HN 0.765 nan 8.190 nan 0.000 0.425 532 N N 6.101 124.781 118.700 -0.034 0.000 2.452 532 N HA 0.136 4.876 4.740 -0.001 0.000 0.266 532 N C -1.358 174.134 175.510 -0.030 0.000 1.209 532 N CA -1.188 51.842 53.050 -0.034 0.000 0.929 532 N CB 1.998 40.523 38.487 0.063 0.000 1.063 532 N HN 0.425 nan 8.380 nan 0.000 0.472 533 P HA -0.125 nan 4.420 nan 0.000 0.225 533 P C 0.389 177.732 177.300 0.071 0.000 1.148 533 P CA 1.216 64.268 63.100 -0.079 0.000 0.779 533 P CB 0.173 31.756 31.700 -0.194 0.000 0.780 534 Y N 0.848 121.157 120.300 0.015 0.000 2.284 534 Y HA 0.014 4.563 4.550 -0.001 0.000 0.293 534 Y C 2.900 178.817 175.900 0.029 0.000 1.140 534 Y CA 0.934 59.045 58.100 0.018 0.000 1.153 534 Y CB -1.244 37.227 38.460 0.019 0.000 1.114 534 Y HN 0.043 nan 8.280 nan 0.000 0.521 535 S N -1.044 114.803 115.700 0.245 0.000 2.470 535 S HA 0.191 4.660 4.470 -0.001 0.000 0.225 535 S C 1.885 176.528 174.600 0.072 0.000 1.006 535 S CA 0.691 58.998 58.200 0.178 0.000 0.934 535 S CB -0.363 63.039 63.200 0.337 0.000 0.778 535 S HN 0.636 nan 8.310 nan 0.000 0.517 536 G N 1.086 109.917 108.800 0.053 0.000 2.162 536 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.260 536 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.260 536 G C -0.028 174.835 174.900 -0.061 0.000 0.976 536 G CA 0.419 45.518 45.100 -0.002 0.000 0.655 536 G HN 0.518 nan 8.290 nan 0.000 0.533 537 K N 0.669 121.001 120.400 -0.114 0.000 2.123 537 K HA 0.567 4.886 4.320 -0.001 0.000 0.248 537 K C -2.324 174.190 176.600 -0.142 0.000 0.969 537 K CA -2.214 53.922 56.287 -0.251 0.000 0.882 537 K CB 1.689 33.770 32.500 -0.698 0.000 1.080 537 K HN 0.134 nan 8.250 nan 0.000 0.441 538 P HA 0.185 nan 4.420 nan 0.000 0.274 538 P C -2.526 174.809 177.300 0.059 0.000 1.231 538 P CA -1.490 61.613 63.100 0.005 0.000 0.790 538 P CB -0.072 31.699 31.700 0.118 0.000 0.951 539 P HA 0.055 nan 4.420 nan 0.000 0.271 539 P C -0.283 177.191 177.300 0.290 0.000 1.216 539 P CA 0.397 63.563 63.100 0.111 0.000 0.776 539 P CB 0.579 32.203 31.700 -0.128 0.000 0.881 540 S N 1.749 117.664 115.700 0.359 0.000 2.615 540 S HA 0.577 5.047 4.470 -0.001 0.000 0.269 540 S C -1.840 172.908 174.600 0.246 0.000 1.161 540 S CA -0.668 57.747 58.200 0.359 0.000 0.817 540 S CB 1.093 64.467 63.200 0.289 0.000 1.131 540 S HN 0.288 nan 8.310 nan 0.000 0.467 541 Y N 0.912 121.279 120.300 0.112 0.000 2.350 541 Y HA 0.587 5.136 4.550 -0.001 0.000 0.338 541 Y C 0.032 175.981 175.900 0.082 0.000 0.961 541 Y CA -0.504 57.617 58.100 0.035 0.000 1.100 541 Y CB 1.954 40.410 38.460 -0.007 0.000 1.179 541 Y HN 0.857 nan 8.280 nan 0.000 0.454 542 K N 4.315 124.764 120.400 0.082 0.000 2.183 542 K HA 0.463 4.783 4.320 -0.001 0.000 0.274 542 K C -1.373 175.281 176.600 0.090 0.000 1.009 542 K CA -0.890 55.458 56.287 0.102 0.000 0.888 542 K CB 0.891 33.429 32.500 0.064 0.000 1.078 542 K HN 0.628 nan 8.250 nan 0.000 0.459 543 L N 5.799 127.088 121.223 0.109 0.000 2.283 543 L HA 0.241 4.580 4.340 -0.001 0.000 0.287 543 L C -1.300 175.652 176.870 0.136 0.000 1.073 543 L CA -0.030 54.844 54.840 0.056 0.000 0.822 543 L CB 1.143 43.198 42.059 -0.007 0.000 1.186 543 L HN 0.371 nan 8.230 nan 0.000 0.436 544 V N 4.973 124.918 119.914 0.052 0.000 2.257 544 V HA 0.461 4.580 4.120 -0.001 0.000 0.269 544 V C 0.084 176.184 176.094 0.010 0.000 1.040 544 V CA -0.212 62.120 62.300 0.053 0.000 0.813 544 V CB 0.614 32.449 31.823 0.020 0.000 1.065 544 V HN 0.845 nan 8.190 nan 0.000 0.457 545 S N 2.672 118.406 115.700 0.057 0.000 2.594 545 S HA 0.521 4.990 4.470 -0.001 0.000 0.296 545 S C 0.485 175.020 174.600 -0.109 0.000 1.124 545 S CA -0.223 57.994 58.200 0.028 0.000 1.011 545 S CB 2.108 65.389 63.200 0.134 0.000 1.016 545 S HN 0.640 nan 8.310 nan 0.000 0.485 546 T N 3.174 117.612 114.554 -0.193 0.000 2.955 546 T HA 0.224 4.573 4.350 -0.001 0.000 0.251 546 T C 0.188 174.765 174.700 -0.205 0.000 1.002 546 T CA 0.296 62.117 62.100 -0.465 0.000 0.970 546 T CB 0.114 68.808 68.868 -0.290 0.000 1.091 546 T HN 0.659 nan 8.240 nan 0.000 0.495 547 Q N 1.267 121.072 119.800 0.009 0.000 2.844 547 Q HA 0.270 4.609 4.340 -0.001 0.000 0.235 547 Q C -0.922 175.203 176.000 0.209 0.000 1.336 547 Q CA -0.277 55.597 55.803 0.119 0.000 1.026 547 Q CB -0.283 28.546 28.738 0.151 0.000 1.513 547 Q HN 0.329 nan 8.270 nan 0.000 0.577 548 C N 2.933 122.352 119.300 0.198 0.000 2.621 548 C HA 0.363 4.823 4.460 -0.001 0.000 0.272 548 C C -2.082 173.051 174.990 0.239 0.000 1.119 548 C CA -1.964 57.212 59.018 0.263 0.000 1.593 548 C CB -0.667 27.305 27.740 0.386 0.000 1.749 548 C HN 0.543 nan 8.230 nan 0.000 0.420 549 P HA 0.240 nan 4.420 nan 0.000 0.271 549 P C -2.182 175.178 177.300 0.100 0.000 1.216 549 P CA -0.585 62.593 63.100 0.129 0.000 0.776 549 P CB 0.155 31.907 31.700 0.086 0.000 0.881 550 P HA 0.126 nan 4.420 nan 0.000 0.277 550 P C -0.720 176.572 177.300 -0.012 0.000 1.240 550 P CA -0.470 62.654 63.100 0.041 0.000 0.798 550 P CB 0.642 32.369 31.700 0.045 0.000 0.979 551 L N 3.150 124.331 121.223 -0.070 0.000 2.456 551 L HA 0.039 4.378 4.340 -0.001 0.000 0.277 551 L C 1.195 178.009 176.870 -0.093 0.000 1.124 551 L CA 0.388 55.158 54.840 -0.117 0.000 0.880 551 L CB -0.673 41.270 42.059 -0.193 0.000 1.192 551 L HN 0.331 nan 8.230 nan 0.000 0.463 552 L N 4.759 125.939 121.223 -0.073 0.000 2.156 552 L HA 0.071 4.411 4.340 -0.001 0.000 0.208 552 L C 1.487 178.311 176.870 -0.077 0.000 1.095 552 L CA 0.552 55.363 54.840 -0.047 0.000 0.770 552 L CB -0.546 41.506 42.059 -0.012 0.000 0.914 552 L HN 0.838 nan 8.230 nan 0.000 0.439 553 A N 0.917 123.666 122.820 -0.118 0.000 2.531 553 A HA 0.098 4.417 4.320 -0.001 0.000 0.236 553 A C 0.281 177.781 177.584 -0.141 0.000 1.062 553 A CA 0.053 52.003 52.037 -0.145 0.000 0.760 553 A CB 0.002 18.887 19.000 -0.192 0.000 0.995 553 A HN 0.191 nan 8.150 nan 0.000 0.501 554 K N 1.298 121.620 120.400 -0.130 0.000 2.180 554 K HA 0.154 4.473 4.320 -0.001 0.000 0.251 554 K C 0.202 176.721 176.600 -0.136 0.000 1.014 554 K CA -0.284 55.934 56.287 -0.116 0.000 0.913 554 K CB 0.488 32.931 32.500 -0.095 0.000 1.008 554 K HN 0.762 nan 8.250 nan 0.000 0.490 555 E N 0.149 120.278 120.200 -0.119 0.000 2.452 555 E HA -0.063 4.286 4.350 -0.001 0.000 0.261 555 E C 0.745 177.269 176.600 -0.127 0.000 0.987 555 E CA 1.041 57.366 56.400 -0.125 0.000 0.926 555 E CB 0.537 30.179 29.700 -0.098 0.000 0.934 555 E HN 0.860 nan 8.360 nan 0.000 0.452 556 G N 2.756 111.467 108.800 -0.148 0.000 2.176 556 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.253 556 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.253 556 G C 0.389 175.186 174.900 -0.172 0.000 0.979 556 G CA 0.491 45.501 45.100 -0.149 0.000 0.641 556 G HN 0.668 nan 8.290 nan 0.000 0.530 557 S N -0.214 115.374 115.700 -0.187 0.000 2.614 557 S HA 0.640 5.109 4.470 -0.001 0.000 0.265 557 S C 1.651 176.089 174.600 -0.270 0.000 1.303 557 S CA -0.079 57.996 58.200 -0.208 0.000 1.000 557 S CB 1.511 64.585 63.200 -0.210 0.000 0.935 557 S HN 0.389 nan 8.310 nan 0.000 0.551 558 L N 1.352 122.402 121.223 -0.289 0.000 2.013 558 L HA -0.137 4.202 4.340 -0.001 0.000 0.212 558 L C 2.652 179.243 176.870 -0.465 0.000 1.073 558 L CA 1.406 56.028 54.840 -0.363 0.000 0.753 558 L CB -0.733 41.121 42.059 -0.342 0.000 0.890 558 L HN 0.672 nan 8.230 nan 0.000 0.432 559 V N -0.083 119.525 119.914 -0.510 0.000 2.255 559 V HA -0.346 3.773 4.120 -0.001 0.000 0.247 559 V C 2.698 178.566 176.094 -0.376 0.000 1.051 559 V CA 1.998 64.017 62.300 -0.469 0.000 1.018 559 V CB -0.950 30.643 31.823 -0.382 0.000 0.641 559 V HN 0.538 nan 8.190 nan 0.000 0.445 560 A N -0.486 122.132 122.820 -0.336 0.000 1.933 560 A HA -0.202 4.117 4.320 -0.001 0.000 0.218 560 A C 2.282 179.669 177.584 -0.327 0.000 1.175 560 A CA 1.756 53.602 52.037 -0.319 0.000 0.628 560 A CB -0.369 18.477 19.000 -0.257 0.000 0.814 560 A HN 0.568 nan 8.150 nan 0.000 0.444 561 K N -0.585 119.604 120.400 -0.352 0.000 2.103 561 K HA -0.050 4.269 4.320 -0.001 0.000 0.204 561 K C 2.070 178.358 176.600 -0.520 0.000 1.052 561 K CA 1.159 57.201 56.287 -0.408 0.000 0.945 561 K CB -0.152 32.072 32.500 -0.461 0.000 0.722 561 K HN 0.394 nan 8.250 nan 0.000 0.443 562 R N 0.326 120.528 120.500 -0.496 0.000 2.236 562 R HA 0.061 4.400 4.340 -0.001 0.000 0.208 562 R C 0.709 176.955 176.300 -0.088 0.000 1.036 562 R CA 0.592 56.456 56.100 -0.394 0.000 1.001 562 R CB 0.270 30.435 30.300 -0.225 0.000 0.896 562 R HN 0.011 nan 8.270 nan 0.000 0.464 563 A N 1.569 124.228 122.820 -0.268 0.000 3.218 563 A HA 0.279 4.599 4.320 -0.001 0.000 0.321 563 A C -1.931 175.224 177.584 -0.715 0.000 1.012 563 A CA -1.234 50.488 52.037 -0.525 0.000 0.948 563 A CB 0.449 18.973 19.000 -0.793 0.000 1.050 563 A HN -0.062 nan 8.150 nan 0.000 0.492 564 P HA -0.194 nan 4.420 nan 0.000 0.218 564 P C 1.311 178.492 177.300 -0.197 0.000 1.146 564 P CA 1.255 64.222 63.100 -0.221 0.000 0.813 564 P CB -0.217 31.435 31.700 -0.079 0.000 0.778 565 W N -0.145 121.101 121.300 -0.090 0.000 2.584 565 W HA 0.291 4.950 4.660 -0.002 0.000 0.264 565 W C 1.598 178.108 176.519 -0.015 0.000 1.264 565 W CA 0.541 57.849 57.345 -0.063 0.000 1.306 565 W CB -1.647 27.759 29.460 -0.090 0.000 1.110 565 W HN -0.085 nan 8.180 nan 0.000 0.606 566 A N 1.321 123.627 122.820 -0.858 0.000 2.168 566 A HA -0.058 4.261 4.320 -0.001 0.000 0.215 566 A C 2.090 179.483 177.584 -0.318 0.000 1.152 566 A CA 1.538 53.164 52.037 -0.686 0.000 0.716 566 A CB -0.747 17.562 19.000 -1.150 0.000 0.794 566 A HN 0.230 nan 8.150 nan 0.000 0.465 567 S N -0.617 114.905 115.700 -0.297 0.000 2.423 567 S HA -0.027 4.442 4.470 -0.001 0.000 0.231 567 S C 0.380 174.707 174.600 -0.455 0.000 1.014 567 S CA 0.825 58.817 58.200 -0.347 0.000 0.965 567 S CB -0.254 62.727 63.200 -0.365 0.000 0.785 567 S HN 0.799 nan 8.310 nan 0.000 0.495 568 H N -1.006 118.058 119.070 -0.009 0.000 2.679 568 H HA 0.445 5.001 4.556 -0.001 0.000 0.367 568 H C 0.754 176.133 175.328 0.084 0.000 1.162 568 H CA -0.471 55.604 56.048 0.044 0.000 1.181 568 H CB 1.441 31.215 29.762 0.020 0.000 1.693 568 H HN -0.114 nan 8.280 nan 0.000 0.538 569 S N 0.486 116.337 115.700 0.252 0.000 2.406 569 S HA 0.022 4.491 4.470 -0.001 0.000 0.228 569 S C 0.436 175.100 174.600 0.106 0.000 1.020 569 S CA 0.570 58.894 58.200 0.207 0.000 0.965 569 S CB 0.332 63.758 63.200 0.377 0.000 0.798 569 S HN 0.243 nan 8.310 nan 0.000 0.488 570 V N 2.520 122.432 119.914 -0.004 0.000 2.709 570 V HA 0.450 4.569 4.120 -0.001 0.000 0.308 570 V C -1.014 174.955 176.094 -0.209 0.000 1.062 570 V CA -0.948 61.189 62.300 -0.272 0.000 0.901 570 V CB 2.051 33.450 31.823 -0.707 0.000 1.003 570 V HN 0.254 nan 8.190 nan 0.000 0.425 571 N N 2.828 121.384 118.700 -0.241 0.000 2.480 571 N HA 0.525 5.264 4.740 -0.001 0.000 0.289 571 N C -1.546 173.882 175.510 -0.138 0.000 1.073 571 N CA -0.286 52.684 53.050 -0.133 0.000 0.885 571 N CB 2.697 41.212 38.487 0.046 0.000 1.421 571 N HN 0.340 nan 8.380 nan 0.000 0.503 572 V N 2.232 122.059 119.914 -0.145 0.000 2.444 572 V HA 0.487 4.607 4.120 -0.001 0.000 0.294 572 V C 0.272 176.404 176.094 0.063 0.000 1.022 572 V CA -0.741 61.547 62.300 -0.020 0.000 0.850 572 V CB 1.563 33.397 31.823 0.017 0.000 0.992 572 V HN 0.469 nan 8.190 nan 0.000 0.426 573 V N 3.472 123.468 119.914 0.137 0.000 3.126 573 V HA 0.793 4.912 4.120 -0.001 0.000 0.314 573 V C -2.890 173.249 176.094 0.076 0.000 1.138 573 V CA -3.101 59.262 62.300 0.105 0.000 1.034 573 V CB 2.124 34.030 31.823 0.139 0.000 1.075 573 V HN 0.607 nan 8.190 nan 0.000 0.442 574 P HA 0.200 nan 4.420 nan 0.000 0.271 574 P C -1.237 176.048 177.300 -0.025 0.000 1.218 574 P CA 0.164 63.282 63.100 0.030 0.000 0.780 574 P CB 0.078 31.787 31.700 0.015 0.000 0.901 575 Y N 3.061 123.320 120.300 -0.068 0.000 2.397 575 Y HA 0.360 4.909 4.550 -0.001 0.000 0.335 575 Y C 0.109 175.929 175.900 -0.132 0.000 1.213 575 Y CA 0.593 58.626 58.100 -0.112 0.000 1.391 575 Y CB 0.631 39.040 38.460 -0.084 0.000 1.293 575 Y HN 0.223 nan 8.280 nan 0.000 0.557 576 K N 3.730 123.406 120.400 -1.207 0.000 2.542 576 K HA 0.235 4.554 4.320 -0.001 0.000 0.259 576 K C -1.768 174.183 176.600 -1.081 0.000 0.932 576 K CA -0.673 55.155 56.287 -0.766 0.000 0.820 576 K CB 1.262 33.472 32.500 -0.483 0.000 1.345 576 K HN 0.626 nan 8.250 nan 0.000 0.432 577 D N 2.151 122.268 120.400 -0.472 0.000 2.443 577 D HA -0.013 4.626 4.640 -0.001 0.000 0.239 577 D C 0.205 176.322 176.300 -0.305 0.000 1.136 577 D CA 0.931 54.778 54.000 -0.256 0.000 0.879 577 D CB 0.522 41.313 40.800 -0.015 0.000 1.195 577 D HN 0.681 nan 8.370 nan 0.000 0.443 578 N N 1.406 119.944 118.700 -0.271 0.000 2.776 578 N HA -0.208 4.531 4.740 -0.001 0.000 0.249 578 N C -0.692 174.609 175.510 -0.349 0.000 1.111 578 N CA 0.216 53.099 53.050 -0.278 0.000 0.711 578 N CB -0.318 38.046 38.487 -0.206 0.000 1.065 578 N HN 0.354 nan 8.380 nan 0.000 0.556 579 R N 1.076 121.268 120.500 -0.513 0.000 2.755 579 R HA 0.279 4.618 4.340 -0.001 0.000 0.268 579 R C 1.146 177.139 176.300 -0.512 0.000 1.295 579 R CA -0.237 55.436 56.100 -0.712 0.000 1.379 579 R CB 0.460 29.993 30.300 -1.279 0.000 1.170 579 R HN 0.267 nan 8.270 nan 0.000 0.584 580 L N 0.797 121.794 121.223 -0.378 0.000 2.435 580 L HA 0.213 4.552 4.340 -0.001 0.000 0.195 580 L C -0.110 176.620 176.870 -0.233 0.000 1.072 580 L CA 0.347 54.882 54.840 -0.508 0.000 0.833 580 L CB 0.090 41.418 42.059 -1.219 0.000 1.081 580 L HN 0.343 nan 8.230 nan 0.000 0.485 581 Y N 1.740 122.174 120.300 0.224 0.000 2.518 581 Y HA 0.249 4.798 4.550 -0.001 0.000 0.344 581 Y C -1.495 174.420 175.900 0.024 0.000 0.982 581 Y CA -3.570 54.585 58.100 0.092 0.000 1.234 581 Y CB -0.344 38.081 38.460 -0.057 0.000 1.114 581 Y HN -0.021 nan 8.280 nan 0.000 0.515 582 P HA -0.145 nan 4.420 nan 0.000 0.220 582 P C 0.567 177.752 177.300 -0.191 0.000 1.144 582 P CA 1.273 64.132 63.100 -0.402 0.000 0.800 582 P CB 0.481 31.887 31.700 -0.490 0.000 0.772 583 S N -0.944 114.762 115.700 0.011 0.000 2.575 583 S HA 0.480 4.949 4.470 -0.001 0.000 0.237 583 S C 0.812 175.346 174.600 -0.110 0.000 0.975 583 S CA 0.258 58.549 58.200 0.151 0.000 0.960 583 S CB -0.064 63.351 63.200 0.358 0.000 0.822 583 S HN 0.543 nan 8.310 nan 0.000 0.472 584 G N 1.408 110.063 108.800 -0.240 0.000 2.662 584 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.686 584 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.686 584 G C -0.402 174.400 174.900 -0.164 0.000 1.271 584 G CA -0.466 44.440 45.100 -0.324 0.000 0.816 584 G HN 0.193 nan 8.290 nan 0.000 0.608 585 D N -0.081 120.193 120.400 -0.210 0.000 2.183 585 D HA 0.022 4.662 4.640 -0.001 0.000 0.203 585 D C 0.754 176.727 176.300 -0.545 0.000 0.969 585 D CA 1.373 55.193 54.000 -0.300 0.000 0.842 585 D CB 0.011 40.576 40.800 -0.391 0.000 0.957 585 D HN 0.487 nan 8.370 nan 0.000 0.484 586 H N 0.403 119.444 119.070 -0.048 0.000 2.786 586 H HA 0.240 4.795 4.556 -0.001 0.000 0.284 586 H C 1.059 176.370 175.328 -0.029 0.000 1.104 586 H CA -0.321 55.713 56.048 -0.023 0.000 1.339 586 H CB 1.456 31.214 29.762 -0.007 0.000 1.427 586 H HN -0.210 nan 8.280 nan 0.000 0.497 587 V N 3.768 123.717 119.914 0.059 0.000 2.346 587 V HA -0.048 4.072 4.120 -0.001 0.000 0.244 587 V C -1.543 174.651 176.094 0.168 0.000 1.037 587 V CA 0.687 63.052 62.300 0.109 0.000 1.029 587 V CB -1.070 30.778 31.823 0.042 0.000 0.663 587 V HN 0.463 nan 8.190 nan 0.000 0.454 588 P HA -0.002 nan 4.420 nan 0.000 0.261 588 P C 0.322 177.736 177.300 0.190 0.000 1.173 588 P CA 0.845 64.006 63.100 0.102 0.000 0.760 588 P CB 0.012 31.742 31.700 0.050 0.000 0.783 589 Q N -1.856 118.082 119.800 0.230 0.000 2.348 589 Q HA -0.239 4.100 4.340 -0.001 0.000 0.221 589 Q C -0.267 175.991 176.000 0.430 0.000 0.735 589 Q CA 0.584 56.591 55.803 0.340 0.000 1.351 589 Q CB -1.734 27.151 28.738 0.245 0.000 1.640 589 Q HN 0.549 nan 8.270 nan 0.000 0.667 590 W N 1.700 123.069 121.300 0.115 0.000 2.266 590 W HA 0.304 4.963 4.660 -0.001 0.000 0.317 590 W C 1.241 177.629 176.519 -0.219 0.000 1.310 590 W CA -0.082 57.263 57.345 0.000 0.000 1.207 590 W CB 0.581 30.029 29.460 -0.020 0.000 1.199 590 W HN 0.104 nan 8.180 nan 0.000 0.544 591 S N 3.520 118.763 115.700 -0.762 0.000 2.481 591 S HA 0.122 4.591 4.470 -0.001 0.000 0.231 591 S C 1.576 175.348 174.600 -1.381 0.000 0.996 591 S CA 0.870 58.212 58.200 -1.430 0.000 0.942 591 S CB -0.379 62.270 63.200 -0.920 0.000 0.768 591 S HN 1.718 nan 8.310 nan 0.000 0.520 592 G N 0.562 108.022 108.800 -2.234 0.000 2.194 592 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.236 592 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.236 592 G C -0.412 173.876 174.900 -1.020 0.000 0.987 592 G CA 0.090 43.938 45.100 -2.086 0.000 0.635 592 G HN 0.565 nan 8.290 nan 0.000 0.520 593 D N 1.154 121.195 120.400 -0.598 0.000 2.256 593 D HA 0.555 5.195 4.640 -0.001 0.000 0.250 593 D C 0.746 177.188 176.300 0.238 0.000 1.093 593 D CA 1.472 55.398 54.000 -0.124 0.000 0.882 593 D CB 1.350 42.086 40.800 -0.107 0.000 1.185 593 D HN 1.398 nan 8.370 nan 0.000 0.437 594 G N 0.051 108.963 108.800 0.186 0.000 2.484 594 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.685 594 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.685 594 G C -0.964 174.029 174.900 0.155 0.000 1.294 594 G CA -0.996 44.221 45.100 0.195 0.000 0.879 594 G HN 0.348 nan 8.290 nan 0.000 0.646 595 V N 2.432 122.375 119.914 0.047 0.000 2.322 595 V HA 0.661 4.780 4.120 -0.001 0.000 0.258 595 V C 0.804 176.842 176.094 -0.094 0.000 1.074 595 V CA 0.670 62.962 62.300 -0.013 0.000 0.909 595 V CB -0.216 31.598 31.823 -0.016 0.000 1.090 595 V HN 1.068 nan 8.190 nan 0.000 0.486 596 R N 2.882 123.275 120.500 -0.178 0.000 2.766 596 R HA 0.818 5.157 4.340 -0.001 0.000 0.270 596 R C 0.453 176.448 176.300 -0.507 0.000 1.035 596 R CA -0.186 55.710 56.100 -0.340 0.000 0.911 596 R CB 0.985 30.991 30.300 -0.489 0.000 1.243 596 R HN 0.820 nan 8.270 nan 0.000 0.460 597 G N 1.022 109.420 108.800 -0.670 0.000 2.581 597 G HA2 -0.436 3.523 3.960 -0.001 0.000 0.291 597 G HA3 -0.436 3.523 3.960 -0.001 0.000 0.291 597 G C 0.566 174.377 174.900 -1.815 0.000 1.277 597 G CA 0.922 45.355 45.100 -1.112 0.000 0.959 597 G HN 0.800 nan 8.290 nan 0.000 0.554 598 M N 0.262 119.019 119.600 -1.405 0.000 2.144 598 M HA -0.031 4.448 4.480 -0.001 0.000 0.260 598 M C 2.448 178.464 176.300 -0.473 0.000 1.067 598 M CA 2.832 57.582 55.300 -0.916 0.000 1.095 598 M CB -0.420 31.953 32.600 -0.378 0.000 1.365 598 M HN 0.619 nan 8.290 nan 0.000 0.406 599 R N -0.407 119.886 120.500 -0.345 0.000 2.096 599 R HA -0.196 4.143 4.340 -0.001 0.000 0.235 599 R C 2.234 178.434 176.300 -0.165 0.000 1.127 599 R CA 1.958 57.956 56.100 -0.170 0.000 0.968 599 R CB -0.348 29.909 30.300 -0.072 0.000 0.861 599 R HN 0.656 nan 8.270 nan 0.000 0.440 600 E N -0.516 119.514 120.200 -0.282 0.000 2.072 600 E HA -0.169 4.180 4.350 -0.001 0.000 0.190 600 E C 1.430 178.047 176.600 0.028 0.000 0.982 600 E CA 1.012 57.327 56.400 -0.140 0.000 0.803 600 E CB -0.056 29.550 29.700 -0.157 0.000 0.755 600 E HN 0.405 nan 8.360 nan 0.000 0.453 601 W N 0.731 121.980 121.300 -0.085 0.000 2.363 601 W HA -0.065 4.594 4.660 -0.001 0.000 0.296 601 W C 2.095 178.575 176.519 -0.066 0.000 1.212 601 W CA 0.261 57.555 57.345 -0.086 0.000 1.260 601 W CB -0.922 28.464 29.460 -0.123 0.000 1.131 601 W HN 0.153 nan 8.180 nan 0.000 0.530 602 I N 0.061 120.704 120.570 0.121 0.000 2.315 602 I HA -0.105 4.064 4.170 -0.001 0.000 0.248 602 I C 2.152 178.288 176.117 0.032 0.000 1.117 602 I CA 1.367 62.696 61.300 0.049 0.000 1.404 602 I CB -1.120 36.876 38.000 -0.007 0.000 1.071 602 I HN 0.084 nan 8.210 nan 0.000 0.419 603 G N 2.384 111.199 108.800 0.025 0.000 2.634 603 G HA2 -0.424 3.535 3.960 -0.001 0.000 0.309 603 G HA3 -0.424 3.535 3.960 -0.001 0.000 0.309 603 G C 0.443 175.347 174.900 0.006 0.000 1.265 603 G CA 0.729 45.840 45.100 0.018 0.000 0.998 603 G HN 0.544 nan 8.290 nan 0.000 0.551 604 D N 1.205 121.610 120.400 0.008 0.000 2.325 604 D HA 0.388 5.027 4.640 -0.001 0.000 0.225 604 D C 1.763 178.063 176.300 0.000 0.000 1.096 604 D CA 1.028 55.029 54.000 0.003 0.000 0.844 604 D CB -0.477 40.326 40.800 0.006 0.000 0.925 604 D HN 2.139 nan 8.370 nan 0.000 0.513 605 G N 0.481 109.281 108.800 -0.000 0.000 2.166 605 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.260 605 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.260 605 G C 1.082 175.982 174.900 0.001 0.000 0.986 605 G CA 0.951 46.045 45.100 -0.009 0.000 0.683 605 G HN 0.719 nan 8.290 nan 0.000 0.527 606 S N -0.894 114.812 115.700 0.011 0.000 2.524 606 S HA 0.305 4.775 4.470 -0.001 0.000 0.216 606 S C 0.674 175.289 174.600 0.025 0.000 0.987 606 S CA 0.637 58.848 58.200 0.018 0.000 0.909 606 S CB 0.406 63.617 63.200 0.018 0.000 0.781 606 S HN 0.621 nan 8.310 nan 0.000 0.521 607 E N 2.345 122.561 120.200 0.027 0.000 2.415 607 E HA 0.151 4.500 4.350 -0.001 0.000 0.262 607 E C -0.246 176.379 176.600 0.040 0.000 1.038 607 E CA -0.299 56.121 56.400 0.032 0.000 0.921 607 E CB 0.238 29.957 29.700 0.033 0.000 0.950 607 E HN 0.425 nan 8.360 nan 0.000 0.438 608 N N 2.163 120.889 118.700 0.043 0.000 2.520 608 N HA 0.061 4.800 4.740 -0.001 0.000 0.273 608 N C -0.082 175.464 175.510 0.059 0.000 1.155 608 N CA 0.096 53.177 53.050 0.052 0.000 0.967 608 N CB 0.427 38.941 38.487 0.045 0.000 1.092 608 N HN 0.543 nan 8.380 nan 0.000 0.457 609 I N -1.766 118.850 120.570 0.077 0.000 3.994 609 I HA 0.418 4.587 4.170 -0.001 0.000 0.323 609 I C -0.475 175.692 176.117 0.083 0.000 1.501 609 I CA -0.528 60.826 61.300 0.089 0.000 1.112 609 I CB 0.277 38.349 38.000 0.120 0.000 1.254 609 I HN 0.264 nan 8.210 nan 0.000 0.495 610 D N 2.524 122.964 120.400 0.067 0.000 2.329 610 D HA 0.204 4.844 4.640 -0.001 0.000 0.232 610 D C 0.278 176.583 176.300 0.008 0.000 1.088 610 D CA 0.007 54.032 54.000 0.040 0.000 0.835 610 D CB 0.636 41.478 40.800 0.071 0.000 1.078 610 D HN 0.249 nan 8.370 nan 0.000 0.495 611 N N 2.572 121.246 118.700 -0.043 0.000 2.681 611 N HA -0.221 4.518 4.740 -0.001 0.000 0.259 611 N C -1.396 174.105 175.510 -0.014 0.000 1.066 611 N CA 1.330 54.355 53.050 -0.041 0.000 0.717 611 N CB -0.965 37.515 38.487 -0.011 0.000 0.885 611 N HN 0.551 nan 8.380 nan 0.000 0.547 612 T N -0.645 113.901 114.554 -0.012 0.000 2.637 612 T HA 0.327 4.676 4.350 -0.001 0.000 0.303 612 T C -1.908 172.796 174.700 0.007 0.000 1.288 612 T CA -0.504 61.599 62.100 0.005 0.000 1.040 612 T CB 0.632 69.514 68.868 0.024 0.000 1.644 612 T HN 0.056 nan 8.240 nan 0.000 0.480 613 D N 2.313 122.726 120.400 0.022 0.000 2.313 613 D HA 0.493 5.132 4.640 -0.001 0.000 0.239 613 D C 0.155 176.516 176.300 0.102 0.000 1.142 613 D CA -0.035 53.980 54.000 0.026 0.000 0.847 613 D CB 0.429 41.228 40.800 -0.002 0.000 1.082 613 D HN 0.632 nan 8.370 nan 0.000 0.480 614 I N -1.717 118.915 120.570 0.103 0.000 3.067 614 I HA 0.614 4.783 4.170 -0.001 0.000 0.312 614 I C -1.122 175.095 176.117 0.167 0.000 1.073 614 I CA -1.142 60.242 61.300 0.139 0.000 1.016 614 I CB 1.936 40.019 38.000 0.138 0.000 1.227 614 I HN 0.006 nan 8.210 nan 0.000 0.456 615 L N 2.686 124.008 121.223 0.166 0.000 2.381 615 L HA 0.473 4.813 4.340 -0.001 0.000 0.274 615 L C -1.485 175.513 176.870 0.214 0.000 0.988 615 L CA -0.455 54.462 54.840 0.130 0.000 0.824 615 L CB 2.330 44.458 42.059 0.114 0.000 1.263 615 L HN 0.526 nan 8.230 nan 0.000 0.410 616 F N 3.853 123.765 119.950 -0.062 0.000 2.347 616 F HA 0.525 5.051 4.527 -0.002 0.000 0.366 616 F C -0.987 174.764 175.800 -0.081 0.000 1.107 616 F CA -0.668 57.342 58.000 0.017 0.000 1.058 616 F CB 0.663 39.658 39.000 -0.007 0.000 1.236 616 F HN 0.112 nan 8.300 nan 0.000 0.456 617 F N 5.351 125.352 119.950 0.086 0.000 2.388 617 F HA 0.272 4.798 4.527 -0.001 0.000 0.358 617 F C -0.154 175.748 175.800 0.170 0.000 1.122 617 F CA -0.682 57.412 58.000 0.156 0.000 1.056 617 F CB 0.666 39.744 39.000 0.131 0.000 1.155 617 F HN 0.422 nan 8.300 nan 0.000 0.461 618 H N 1.624 120.887 119.070 0.322 0.000 2.476 618 H HA 0.457 5.012 4.556 -0.001 0.000 0.328 618 H C -0.758 174.810 175.328 0.399 0.000 1.073 618 H CA -0.520 55.691 56.048 0.272 0.000 1.229 618 H CB 1.142 31.060 29.762 0.260 0.000 1.432 618 H HN 0.506 nan 8.280 nan 0.000 0.477 619 T N 7.544 122.088 114.554 -0.016 0.000 2.749 619 T HA 0.421 4.770 4.350 -0.001 0.000 0.287 619 T C -0.916 173.754 174.700 -0.051 0.000 0.970 619 T CA -0.314 61.869 62.100 0.139 0.000 0.980 619 T CB -0.288 68.747 68.868 0.280 0.000 0.924 619 T HN 0.496 nan 8.240 nan 0.000 0.456 620 F N 0.398 120.298 119.950 -0.084 0.000 2.715 620 F HA 0.962 5.488 4.527 -0.001 0.000 0.318 620 F C 0.129 176.081 175.800 0.254 0.000 1.141 620 F CA -0.895 57.101 58.000 -0.007 0.000 0.950 620 F CB 0.997 39.953 39.000 -0.074 0.000 1.374 620 F HN 0.878 nan 8.300 nan 0.000 0.477 621 G N 0.267 109.158 108.800 0.151 0.000 2.332 621 G HA2 0.466 4.425 3.960 -0.001 0.000 0.265 621 G HA3 0.466 4.425 3.960 -0.001 0.000 0.265 621 G C -2.051 172.967 174.900 0.196 0.000 1.329 621 G CA -0.253 44.956 45.100 0.182 0.000 0.949 621 G HN 1.562 nan 8.290 nan 0.000 0.476 622 I N -3.102 117.587 120.570 0.199 0.000 3.174 622 I HA 0.871 5.040 4.170 -0.001 0.000 0.313 622 I C -0.423 175.742 176.117 0.080 0.000 1.155 622 I CA -1.018 60.360 61.300 0.131 0.000 0.977 622 I CB 2.178 40.238 38.000 0.099 0.000 1.248 622 I HN 0.476 nan 8.210 nan 0.000 0.453 623 T N 1.175 115.732 114.554 0.005 0.000 2.770 623 T HA 0.337 4.686 4.350 -0.001 0.000 0.283 623 T C -1.026 173.529 174.700 -0.240 0.000 0.988 623 T CA -0.136 61.871 62.100 -0.156 0.000 0.957 623 T CB -0.019 68.763 68.868 -0.144 0.000 0.930 623 T HN 0.655 nan 8.240 nan 0.000 0.443 624 H N 3.013 121.757 119.070 -0.544 0.000 2.541 624 H HA 0.427 4.982 4.556 -0.001 0.000 0.316 624 H C -1.181 173.773 175.328 -0.624 0.000 1.043 624 H CA -1.086 54.661 56.048 -0.502 0.000 1.232 624 H CB 0.371 29.844 29.762 -0.481 0.000 1.406 624 H HN 0.424 nan 8.280 nan 0.000 0.469 625 F N 6.688 126.766 119.950 0.214 0.000 2.311 625 F HA 0.280 4.806 4.527 -0.001 0.000 0.371 625 F C -1.997 173.891 175.800 0.147 0.000 1.083 625 F CA -2.558 55.499 58.000 0.095 0.000 1.113 625 F CB 0.835 39.886 39.000 0.085 0.000 1.349 625 F HN 0.531 nan 8.300 nan 0.000 0.470 626 P HA 0.199 nan 4.420 nan 0.000 0.266 626 P C -0.677 176.724 177.300 0.169 0.000 1.186 626 P CA 0.105 63.258 63.100 0.089 0.000 0.767 626 P CB 0.751 32.431 31.700 -0.033 0.000 0.820 627 A N 4.178 127.110 122.820 0.187 0.000 2.515 627 A HA 0.608 4.928 4.320 -0.001 0.000 0.296 627 A C -2.067 175.598 177.584 0.135 0.000 1.094 627 A CA -1.570 50.550 52.037 0.138 0.000 0.718 627 A CB 0.851 19.933 19.000 0.135 0.000 1.307 627 A HN 0.248 nan 8.150 nan 0.000 0.408 628 P HA -0.177 nan 4.420 nan 0.000 0.217 628 P C 0.755 178.157 177.300 0.170 0.000 1.148 628 P CA 1.616 64.803 63.100 0.144 0.000 0.828 628 P CB 0.260 32.029 31.700 0.115 0.000 0.783 629 E N -0.709 119.567 120.200 0.127 0.000 2.267 629 E HA -0.171 4.179 4.350 -0.001 0.000 0.197 629 E C 1.308 177.974 176.600 0.111 0.000 0.998 629 E CA 1.056 57.518 56.400 0.102 0.000 0.830 629 E CB -0.742 29.003 29.700 0.074 0.000 0.751 629 E HN 0.357 nan 8.360 nan 0.000 0.491 630 D N -0.943 119.554 120.400 0.162 0.000 2.355 630 D HA -0.017 4.622 4.640 -0.001 0.000 0.218 630 D C -0.256 176.172 176.300 0.212 0.000 1.004 630 D CA 0.410 54.515 54.000 0.175 0.000 0.880 630 D CB 0.113 41.071 40.800 0.263 0.000 0.911 630 D HN 0.067 nan 8.370 nan 0.000 0.528 631 F N 1.137 121.103 119.950 0.027 0.000 2.522 631 F HA 0.317 4.843 4.527 -0.001 0.000 0.324 631 F C -1.712 174.094 175.800 0.009 0.000 1.077 631 F CA -2.375 55.632 58.000 0.011 0.000 0.944 631 F CB 2.160 41.178 39.000 0.030 0.000 1.175 631 F HN -0.300 nan 8.300 nan 0.000 0.468 632 P HA 0.097 nan 4.420 nan 0.000 0.255 632 P C -0.562 176.380 177.300 -0.597 0.000 1.248 632 P CA 0.763 63.051 63.100 -1.354 0.000 0.807 632 P CB 1.086 32.175 31.700 -1.017 0.000 1.150 633 L N 0.982 121.970 121.223 -0.392 0.000 2.436 633 L HA 0.476 4.815 4.340 -0.001 0.000 0.268 633 L C -0.350 176.368 176.870 -0.252 0.000 0.974 633 L CA -1.243 53.321 54.840 -0.461 0.000 0.826 633 L CB 2.642 44.210 42.059 -0.818 0.000 1.291 633 L HN -0.153 nan 8.230 nan 0.000 0.406 634 M N 4.403 123.892 119.600 -0.186 0.000 2.318 634 M HA 0.628 5.108 4.480 -0.001 0.000 0.347 634 M C -2.581 173.646 176.300 -0.121 0.000 1.175 634 M CA -1.568 53.675 55.300 -0.095 0.000 1.075 634 M CB 1.312 33.908 32.600 -0.007 0.000 1.614 634 M HN 0.205 nan 8.290 nan 0.000 0.456 635 P HA 0.178 nan 4.420 nan 0.000 0.271 635 P C -0.768 176.473 177.300 -0.099 0.000 1.218 635 P CA -0.134 62.912 63.100 -0.090 0.000 0.780 635 P CB 0.576 32.240 31.700 -0.060 0.000 0.901 636 A N 2.298 125.057 122.820 -0.101 0.000 2.567 636 A HA 0.012 4.331 4.320 -0.001 0.000 0.240 636 A C 0.358 177.879 177.584 -0.104 0.000 1.053 636 A CA 0.402 52.376 52.037 -0.106 0.000 0.755 636 A CB -0.522 18.427 19.000 -0.086 0.000 0.978 636 A HN 0.591 nan 8.150 nan 0.000 0.507 637 E N 3.524 123.648 120.200 -0.126 0.000 2.158 637 E HA 0.458 4.808 4.350 -0.001 0.000 0.271 637 E C -2.656 173.884 176.600 -0.101 0.000 0.911 637 E CA -2.235 54.092 56.400 -0.122 0.000 0.767 637 E CB 1.825 31.421 29.700 -0.175 0.000 1.120 637 E HN 0.527 nan 8.360 nan 0.000 0.405 638 P HA 0.378 nan 4.420 nan 0.000 0.292 638 P C -0.729 176.547 177.300 -0.041 0.000 1.283 638 P CA -0.361 62.700 63.100 -0.066 0.000 0.835 638 P CB 1.390 33.045 31.700 -0.075 0.000 1.017 639 I N 0.879 121.429 120.570 -0.034 0.000 2.619 639 I HA 0.527 4.696 4.170 -0.001 0.000 0.292 639 I C -0.036 176.069 176.117 -0.020 0.000 1.100 639 I CA -0.531 60.777 61.300 0.015 0.000 1.043 639 I CB 2.618 40.650 38.000 0.052 0.000 1.239 639 I HN 0.287 nan 8.210 nan 0.000 0.420 640 T N 6.527 121.065 114.554 -0.027 0.000 2.889 640 T HA 0.718 5.067 4.350 -0.001 0.000 0.315 640 T C -1.830 172.768 174.700 -0.170 0.000 1.291 640 T CA -0.562 61.468 62.100 -0.118 0.000 1.028 640 T CB 1.611 70.414 68.868 -0.109 0.000 1.235 640 T HN 0.583 nan 8.240 nan 0.000 0.491 641 L N 1.822 122.885 121.223 -0.267 0.000 2.469 641 L HA 0.859 5.198 4.340 -0.001 0.000 0.256 641 L C -1.721 175.022 176.870 -0.212 0.000 1.006 641 L CA -1.167 53.515 54.840 -0.264 0.000 0.832 641 L CB 1.842 43.637 42.059 -0.440 0.000 1.421 641 L HN 0.942 nan 8.230 nan 0.000 0.410 642 M N 2.267 121.781 119.600 -0.143 0.000 2.501 642 M HA 0.655 5.134 4.480 -0.001 0.000 0.293 642 M C -2.139 174.135 176.300 -0.044 0.000 1.192 642 M CA -0.508 54.736 55.300 -0.092 0.000 0.886 642 M CB 2.720 35.286 32.600 -0.056 0.000 1.710 642 M HN 0.681 nan 8.290 nan 0.000 0.457 643 L N 4.477 125.713 121.223 0.021 0.000 2.345 643 L HA 0.581 4.920 4.340 -0.001 0.000 0.274 643 L C -0.841 176.144 176.870 0.191 0.000 0.999 643 L CA -0.508 54.426 54.840 0.156 0.000 0.849 643 L CB 1.483 43.703 42.059 0.268 0.000 1.220 643 L HN 0.699 nan 8.230 nan 0.000 0.422 644 R N 4.103 124.611 120.500 0.013 0.000 2.460 644 R HA 0.480 4.819 4.340 -0.001 0.000 0.303 644 R C -2.564 173.383 176.300 -0.589 0.000 0.968 644 R CA -1.894 54.100 56.100 -0.178 0.000 0.889 644 R CB 1.384 31.627 30.300 -0.094 0.000 1.123 644 R HN 0.258 nan 8.270 nan 0.000 0.455 645 P HA 0.131 nan 4.420 nan 0.000 0.276 645 P C -0.950 176.148 177.300 -0.336 0.000 1.243 645 P CA -0.267 62.225 63.100 -1.014 0.000 0.768 645 P CB 0.907 32.193 31.700 -0.692 0.000 0.856 646 R N 3.227 123.607 120.500 -0.200 0.000 2.483 646 R HA 0.274 4.614 4.340 -0.001 0.000 0.303 646 R C 0.533 176.852 176.300 0.031 0.000 0.987 646 R CA -0.679 55.358 56.100 -0.105 0.000 0.881 646 R CB 0.107 30.401 30.300 -0.009 0.000 1.177 646 R HN 0.657 nan 8.270 nan 0.000 0.451 647 H N 0.882 119.973 119.070 0.036 0.000 3.237 647 H HA -0.218 4.337 4.556 -0.001 0.000 0.231 647 H C 0.692 176.024 175.328 0.007 0.000 1.148 647 H CA 1.171 57.235 56.048 0.027 0.000 1.155 647 H CB -1.189 28.575 29.762 0.004 0.000 1.210 647 H HN 0.536 nan 8.280 nan 0.000 0.317 648 F N 0.415 120.290 119.950 -0.124 0.000 2.187 648 F HA 0.156 4.682 4.527 -0.001 0.000 0.295 648 F C 0.959 176.494 175.800 -0.442 0.000 1.091 648 F CA 0.718 58.526 58.000 -0.320 0.000 1.308 648 F CB 0.243 38.921 39.000 -0.536 0.000 1.030 648 F HN -0.060 nan 8.300 nan 0.000 0.487 649 F N -0.493 119.520 119.950 0.104 0.000 2.457 649 F HA 0.261 4.787 4.527 -0.001 0.000 0.330 649 F C 1.617 177.397 175.800 -0.034 0.000 1.069 649 F CA -0.243 57.764 58.000 0.012 0.000 1.009 649 F CB 0.720 39.739 39.000 0.031 0.000 1.276 649 F HN -0.250 nan 8.300 nan 0.000 0.492 650 T N -3.171 111.477 114.554 0.156 0.000 3.060 650 T HA 0.222 4.571 4.350 -0.001 0.000 0.249 650 T C -0.117 174.692 174.700 0.183 0.000 1.079 650 T CA 0.175 62.294 62.100 0.032 0.000 1.013 650 T CB -0.479 68.217 68.868 -0.287 0.000 0.975 650 T HN 0.722 nan 8.240 nan 0.000 0.518 651 E N 0.326 120.617 120.200 0.153 0.000 2.409 651 E HA 0.234 4.583 4.350 -0.001 0.000 0.280 651 E C -1.433 175.165 176.600 -0.004 0.000 1.079 651 E CA -1.140 55.310 56.400 0.084 0.000 0.840 651 E CB 0.172 29.919 29.700 0.077 0.000 1.309 651 E HN -0.115 nan 8.360 nan 0.000 0.447 652 N N 2.562 121.220 118.700 -0.071 0.000 2.236 652 N HA -0.043 4.696 4.740 -0.001 0.000 0.274 652 N C -1.256 174.152 175.510 -0.171 0.000 1.339 652 N CA -0.760 52.207 53.050 -0.138 0.000 0.845 652 N CB 0.707 39.062 38.487 -0.220 0.000 1.091 652 N HN 0.424 nan 8.380 nan 0.000 0.489 653 P HA 0.011 nan 4.420 nan 0.000 0.237 653 P C 0.704 177.920 177.300 -0.140 0.000 1.178 653 P CA 0.678 63.524 63.100 -0.423 0.000 0.766 653 P CB 0.085 31.089 31.700 -1.161 0.000 0.876 654 G N -0.306 108.490 108.800 -0.006 0.000 3.337 654 G HA2 0.118 4.077 3.960 -0.001 0.000 0.246 654 G HA3 0.118 4.077 3.960 -0.001 0.000 0.246 654 G C 1.225 176.289 174.900 0.274 0.000 1.131 654 G CA -0.188 45.005 45.100 0.155 0.000 0.773 654 G HN 0.171 nan 8.290 nan 0.000 0.544 655 L N 0.895 122.196 121.223 0.130 0.000 2.362 655 L HA 0.016 4.355 4.340 -0.001 0.000 0.219 655 L C 1.789 178.741 176.870 0.136 0.000 1.134 655 L CA 0.906 55.818 54.840 0.120 0.000 0.807 655 L CB -0.039 41.995 42.059 -0.042 0.000 0.927 655 L HN 0.251 nan 8.230 nan 0.000 0.447 656 D N -0.129 120.342 120.400 0.120 0.000 2.336 656 D HA 0.056 4.695 4.640 -0.001 0.000 0.228 656 D C 0.538 176.881 176.300 0.072 0.000 1.120 656 D CA 0.028 54.086 54.000 0.098 0.000 0.839 656 D CB -0.165 40.721 40.800 0.143 0.000 0.932 656 D HN 0.218 nan 8.370 nan 0.000 0.509 657 I N 1.267 121.890 120.570 0.088 0.000 2.365 657 I HA 0.038 4.207 4.170 -0.001 0.000 0.291 657 I C 0.552 176.697 176.117 0.046 0.000 1.004 657 I CA -0.842 60.482 61.300 0.041 0.000 1.311 657 I CB 1.162 39.173 38.000 0.019 0.000 1.401 657 I HN -0.261 nan 8.210 nan 0.000 0.491 658 Q N 6.644 126.456 119.800 0.020 0.000 2.247 658 Q HA 0.118 4.457 4.340 -0.001 0.000 0.288 658 Q C -2.146 173.865 176.000 0.018 0.000 1.079 658 Q CA -1.159 54.656 55.803 0.020 0.000 0.932 658 Q CB 0.034 28.778 28.738 0.010 0.000 1.133 658 Q HN 0.301 nan 8.270 nan 0.000 0.377 659 P HA 0.063 nan 4.420 nan 0.000 0.270 659 P C 0.244 177.563 177.300 0.031 0.000 1.223 659 P CA 0.017 63.137 63.100 0.033 0.000 0.785 659 P CB 0.730 32.462 31.700 0.052 0.000 0.923 660 S N -0.460 115.268 115.700 0.046 0.000 2.470 660 S HA 0.048 4.517 4.470 -0.001 0.000 0.225 660 S C -0.112 174.588 174.600 0.167 0.000 1.006 660 S CA 0.773 59.018 58.200 0.075 0.000 0.934 660 S CB -0.402 62.832 63.200 0.056 0.000 0.778 660 S HN 0.574 nan 8.310 nan 0.000 0.517 661 Y N -0.266 120.041 120.300 0.012 0.000 2.521 661 Y HA 0.532 5.081 4.550 -0.001 0.000 0.328 661 Y C -1.880 174.039 175.900 0.032 0.000 1.151 661 Y CA -1.133 56.978 58.100 0.019 0.000 1.054 661 Y CB 0.793 39.262 38.460 0.015 0.000 1.338 661 Y HN -0.104 nan 8.280 nan 0.000 0.453 662 A N 6.529 128.883 122.820 -0.777 0.000 2.513 662 A HA 0.629 4.948 4.320 -0.001 0.000 0.285 662 A C -1.929 175.327 177.584 -0.546 0.000 1.047 662 A CA -0.376 51.384 52.037 -0.462 0.000 0.864 662 A CB 0.882 19.779 19.000 -0.172 0.000 1.373 662 A HN 0.842 nan 8.150 nan 0.000 0.403 663 M N 2.630 121.998 119.600 -0.388 0.000 2.253 663 M HA 0.548 5.027 4.480 -0.001 0.000 0.314 663 M C -0.324 175.934 176.300 -0.071 0.000 1.019 663 M CA 0.046 55.222 55.300 -0.207 0.000 0.932 663 M CB 1.808 34.354 32.600 -0.090 0.000 1.606 663 M HN 0.629 nan 8.290 nan 0.000 0.430 664 T N 2.579 117.098 114.554 -0.057 0.000 2.882 664 T HA 0.192 4.542 4.350 -0.001 0.000 0.287 664 T C 1.064 175.755 174.700 -0.016 0.000 1.014 664 T CA -0.197 61.887 62.100 -0.028 0.000 1.049 664 T CB 1.300 70.149 68.868 -0.031 0.000 1.001 664 T HN 0.849 nan 8.240 nan 0.000 0.525 665 T N 1.852 116.399 114.554 -0.013 0.000 2.746 665 T HA -0.136 4.213 4.350 -0.001 0.000 0.267 665 T C 2.364 177.052 174.700 -0.019 0.000 1.039 665 T CA 1.777 63.866 62.100 -0.019 0.000 1.142 665 T CB -0.402 68.450 68.868 -0.027 0.000 0.866 665 T HN 0.759 nan 8.240 nan 0.000 0.444 666 S N 1.867 117.556 115.700 -0.019 0.000 2.368 666 S HA -0.141 4.328 4.470 -0.001 0.000 0.225 666 S C 1.870 176.461 174.600 -0.015 0.000 1.030 666 S CA 1.176 59.365 58.200 -0.018 0.000 0.999 666 S CB -0.472 62.718 63.200 -0.017 0.000 0.844 666 S HN 0.626 nan 8.310 nan 0.000 0.459 667 E N 1.875 122.064 120.200 -0.017 0.000 2.150 667 E HA 0.002 4.351 4.350 -0.001 0.000 0.193 667 E C 2.435 179.033 176.600 -0.005 0.000 0.985 667 E CA 0.923 57.314 56.400 -0.015 0.000 0.814 667 E CB -0.434 29.249 29.700 -0.027 0.000 0.752 667 E HN 0.729 nan 8.360 nan 0.000 0.466 668 A N 1.909 124.728 122.820 -0.002 0.000 1.902 668 A HA -0.214 4.105 4.320 -0.001 0.000 0.217 668 A C 1.987 179.573 177.584 0.002 0.000 1.181 668 A CA 1.394 53.437 52.037 0.010 0.000 0.623 668 A CB -0.244 18.762 19.000 0.010 0.000 0.818 668 A HN 0.031 nan 8.150 nan 0.000 0.443 669 K N -0.852 119.543 120.400 -0.008 0.000 1.985 669 K HA -0.150 4.170 4.320 -0.001 0.000 0.210 669 K C 2.358 178.954 176.600 -0.005 0.000 1.047 669 K CA 1.506 57.787 56.287 -0.010 0.000 0.932 669 K CB -0.250 32.241 32.500 -0.015 0.000 0.716 669 K HN 0.376 nan 8.250 nan 0.000 0.439 670 R N 0.761 121.258 120.500 -0.005 0.000 2.185 670 R HA -0.123 4.216 4.340 -0.001 0.000 0.247 670 R C 0.698 176.999 176.300 0.001 0.000 1.159 670 R CA 1.221 57.319 56.100 -0.003 0.000 0.988 670 R CB -0.180 30.117 30.300 -0.005 0.000 0.871 670 R HN 0.142 nan 8.270 nan 0.000 0.458 671 A N 1.231 124.054 122.820 0.006 0.000 3.074 671 A HA 0.334 4.653 4.320 -0.001 0.000 0.251 671 A C 0.104 177.694 177.584 0.011 0.000 1.695 671 A CA -0.063 51.981 52.037 0.012 0.000 1.343 671 A CB -0.524 18.490 19.000 0.023 0.000 1.078 671 A HN 0.162 nan 8.150 nan 0.000 0.644 672 V N 0.000 119.917 119.914 0.006 0.000 2.409 672 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 672 V CA 0.000 62.302 62.300 0.004 0.000 1.235 672 V CB 0.000 31.826 31.823 0.006 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556