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 3dk5_1_A DATA FIRST_RESID 6 DATA SEQUENCE DTAVLVLAAG PGTRMRSDTP KVLHTLAGRS MLSHVLHAIA KLAPQRLIVV DATA SEQUENCE LGHDHQRIAP LVGELADTLG RTIDVALQDR PLGTGHAVLC GLSALPDDYA DATA SEQUENCE GNVVVTSGDT PLLDADTLAD LIATHRAVSA AVTVLTTTLD DPFXYGRIXX DATA SEQUENCE XXXXXVMAIV XXXXXXXXXX XXXEVNAGVY AFDIAALRSA LSRLSSNNXQ DATA SEQUENCE QELYLTDVIA ILRSDGQTVH ASHVDDSALV AGVNNRVQLA ELASELNRRV DATA SEQUENCE VAAHQLAGVT VVDPATTWID VDVTIGRDTV IHPGTQLLGR TQIGGRCVVG DATA SEQUENCE PDTTLTDVAV GDGASVVRTH GSSSSIGDGA AVGPFTYLRP GTALGADGKL DATA SEQUENCE GAFVEVKNST IGTGTKVPHL TYVGDADIGE YSNIGASSVF VNXXXXXKRR DATA SEQUENCE TTVGSHVRTG SDTMFVAPVT IGDGAYTGAG TVVREDVPPG ALAVSAGPQR DATA SEQUENCE NIENWVQRKR PGSPAAQAS 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.372 176.300 0.120 0.000 2.045 6 D CA 0.000 54.043 54.000 0.072 0.000 0.868 6 D CB 0.000 40.829 40.800 0.048 0.000 0.688 7 T N -1.624 113.024 114.554 0.156 0.000 2.886 7 T HA 0.848 5.197 4.350 -0.003 0.000 0.292 7 T C -0.090 174.709 174.700 0.166 0.000 1.012 7 T CA -0.143 62.056 62.100 0.165 0.000 0.982 7 T CB 1.737 70.659 68.868 0.089 0.000 1.018 7 T HN 1.736 nan 8.240 nan 0.000 0.451 8 A N 2.572 125.491 122.820 0.165 0.000 2.292 8 A HA 0.738 5.057 4.320 -0.003 0.000 0.319 8 A C -0.265 177.332 177.584 0.022 0.000 1.206 8 A CA -0.762 51.284 52.037 0.015 0.000 0.835 8 A CB 0.768 19.677 19.000 -0.151 0.000 1.164 8 A HN 0.842 nan 8.150 nan 0.000 0.505 9 V N 4.015 123.929 119.914 0.001 0.000 2.398 9 V HA 0.383 4.501 4.120 -0.003 0.000 0.286 9 V C -0.210 175.887 176.094 0.004 0.000 1.026 9 V CA -0.290 62.019 62.300 0.014 0.000 0.868 9 V CB 1.177 33.007 31.823 0.012 0.000 0.982 9 V HN 0.745 nan 8.190 nan 0.000 0.443 10 L N 5.223 126.460 121.223 0.023 0.000 2.307 10 L HA 0.663 5.002 4.340 -0.003 0.000 0.284 10 L C -0.616 176.273 176.870 0.031 0.000 1.023 10 L CA -0.832 54.017 54.840 0.015 0.000 0.810 10 L CB 1.893 43.962 42.059 0.016 0.000 1.231 10 L HN 0.312 nan 8.230 nan 0.000 0.423 11 V N 4.640 124.566 119.914 0.021 0.000 2.384 11 V HA 0.356 4.474 4.120 -0.003 0.000 0.287 11 V C 0.133 176.247 176.094 0.034 0.000 1.020 11 V CA -0.429 61.890 62.300 0.032 0.000 0.850 11 V CB 1.912 33.750 31.823 0.025 0.000 0.987 11 V HN 0.518 nan 8.190 nan 0.000 0.436 12 L N 4.769 126.021 121.223 0.050 0.000 2.259 12 L HA 0.613 4.952 4.340 -0.003 0.000 0.288 12 L C 0.662 177.563 176.870 0.052 0.000 1.051 12 L CA -0.172 54.699 54.840 0.051 0.000 0.824 12 L CB 1.144 43.244 42.059 0.068 0.000 1.206 12 L HN 0.753 nan 8.230 nan 0.000 0.429 13 A N 2.613 125.460 122.820 0.045 0.000 2.812 13 A HA 0.613 4.932 4.320 -0.003 0.000 0.294 13 A C 0.992 178.613 177.584 0.061 0.000 1.014 13 A CA 0.193 52.262 52.037 0.053 0.000 1.024 13 A CB 0.396 19.422 19.000 0.042 0.000 1.162 13 A HN 0.744 nan 8.150 nan 0.000 0.511 14 A N -0.623 122.236 122.820 0.066 0.000 2.382 14 A HA 0.558 4.877 4.320 -0.003 0.000 0.228 14 A C 1.296 178.937 177.584 0.095 0.000 1.217 14 A CA 0.642 52.724 52.037 0.074 0.000 0.923 14 A CB -0.159 18.878 19.000 0.061 0.000 0.979 14 A HN 0.841 nan 8.150 nan 0.000 0.515 15 G N 0.430 109.282 108.800 0.087 0.000 2.634 15 G HA2 0.401 4.359 3.960 -0.003 0.000 0.255 15 G HA3 0.401 4.359 3.960 -0.003 0.000 0.255 15 G C -0.633 174.313 174.900 0.077 0.000 1.205 15 G CA -0.309 44.836 45.100 0.076 0.000 0.884 15 G HN 0.167 nan 8.290 nan 0.000 0.549 16 P HA 0.101 nan 4.420 nan 0.000 0.226 16 P C 1.037 178.330 177.300 -0.011 0.000 1.161 16 P CA 0.989 64.100 63.100 0.018 0.000 0.804 16 P CB 0.354 32.061 31.700 0.012 0.000 0.829 17 G N 0.275 109.072 108.800 -0.004 0.000 2.289 17 G HA2 -0.240 3.719 3.960 -0.003 0.000 0.280 17 G HA3 -0.240 3.719 3.960 -0.003 0.000 0.280 17 G C 0.731 175.606 174.900 -0.041 0.000 1.089 17 G CA 0.508 45.592 45.100 -0.028 0.000 0.939 17 G HN 0.287 nan 8.290 nan 0.000 0.499 18 T N -0.205 114.334 114.554 -0.025 0.000 2.788 18 T HA -0.059 4.290 4.350 -0.003 0.000 0.268 18 T C 2.297 176.980 174.700 -0.028 0.000 1.044 18 T CA 1.518 63.604 62.100 -0.023 0.000 1.139 18 T CB -0.050 68.812 68.868 -0.010 0.000 0.867 18 T HN 0.555 nan 8.240 nan 0.000 0.454 19 R N 0.281 120.762 120.500 -0.032 0.000 2.317 19 R HA 0.266 4.604 4.340 -0.003 0.000 0.208 19 R C 1.822 178.094 176.300 -0.047 0.000 0.914 19 R CA -0.009 56.072 56.100 -0.031 0.000 1.060 19 R CB -0.017 30.269 30.300 -0.024 0.000 1.015 19 R HN 0.297 nan 8.270 nan 0.000 0.498 20 M N 0.566 120.122 119.600 -0.074 0.000 2.374 20 M HA -0.042 4.436 4.480 -0.003 0.000 0.264 20 M C 0.246 176.511 176.300 -0.058 0.000 1.067 20 M CA 0.945 56.178 55.300 -0.112 0.000 1.103 20 M CB -0.337 32.126 32.600 -0.229 0.000 1.402 20 M HN 0.060 nan 8.290 nan 0.000 0.444 21 R N 0.772 121.251 120.500 -0.034 0.000 3.188 21 R HA -0.117 4.222 4.340 -0.003 0.000 0.247 21 R C -0.202 176.104 176.300 0.011 0.000 0.918 21 R CA 0.393 56.487 56.100 -0.010 0.000 0.629 21 R CB -2.614 27.683 30.300 -0.006 0.000 1.087 21 R HN 0.315 nan 8.270 nan 0.000 0.462 22 S N -0.792 114.918 115.700 0.017 0.000 2.569 22 S HA 0.378 4.846 4.470 -0.003 0.000 0.280 22 S C 0.317 174.943 174.600 0.044 0.000 1.111 22 S CA -0.804 57.437 58.200 0.068 0.000 0.887 22 S CB 1.550 64.856 63.200 0.178 0.000 1.095 22 S HN 0.224 nan 8.310 nan 0.000 0.476 23 D N 1.564 121.990 120.400 0.043 0.000 2.339 23 D HA 0.132 4.771 4.640 -0.003 0.000 0.217 23 D C -0.179 176.135 176.300 0.023 0.000 1.050 23 D CA 0.560 54.569 54.000 0.016 0.000 0.856 23 D CB 0.413 41.219 40.800 0.010 0.000 0.922 23 D HN 0.392 nan 8.370 nan 0.000 0.518 24 T N 2.810 117.408 114.554 0.074 0.000 2.749 24 T HA 0.302 4.650 4.350 -0.003 0.000 0.287 24 T C -2.541 172.264 174.700 0.175 0.000 0.970 24 T CA -1.591 60.553 62.100 0.074 0.000 0.980 24 T CB 1.955 70.774 68.868 -0.081 0.000 0.924 24 T HN -0.151 nan 8.240 nan 0.000 0.456 25 P HA 0.003 nan 4.420 nan 0.000 0.260 25 P C 0.941 178.383 177.300 0.235 0.000 1.172 25 P CA -0.005 63.143 63.100 0.080 0.000 0.760 25 P CB 0.591 32.455 31.700 0.272 0.000 0.773 26 K N 3.174 123.643 120.400 0.115 0.000 2.127 26 K HA -0.215 4.103 4.320 -0.003 0.000 0.212 26 K C 1.350 178.033 176.600 0.139 0.000 1.050 26 K CA 1.851 58.152 56.287 0.025 0.000 0.929 26 K CB -0.453 32.014 32.500 -0.055 0.000 0.715 26 K HN 0.161 nan 8.250 nan 0.000 0.457 27 V N 1.081 121.086 119.914 0.152 0.000 2.970 27 V HA -0.130 3.988 4.120 -0.003 0.000 0.260 27 V C 1.795 177.981 176.094 0.154 0.000 1.100 27 V CA 1.197 63.580 62.300 0.139 0.000 1.122 27 V CB -0.154 31.741 31.823 0.120 0.000 0.721 27 V HN 0.334 nan 8.190 nan 0.000 0.483 28 L N -1.510 119.824 121.223 0.185 0.000 2.592 28 L HA 0.152 4.491 4.340 -0.003 0.000 0.227 28 L C 0.872 177.798 176.870 0.093 0.000 1.127 28 L CA -0.058 54.855 54.840 0.123 0.000 0.884 28 L CB -0.351 41.766 42.059 0.097 0.000 1.065 28 L HN 0.374 nan 8.230 nan 0.000 0.457 29 H N 1.357 120.454 119.070 0.045 0.000 2.928 29 H HA 0.065 4.620 4.556 -0.003 0.000 0.338 29 H C 0.369 175.727 175.328 0.049 0.000 1.047 29 H CA 0.508 56.578 56.048 0.037 0.000 1.435 29 H CB 0.887 30.668 29.762 0.031 0.000 1.428 29 H HN 0.120 nan 8.280 nan 0.000 0.590 30 T N 1.596 116.208 114.554 0.098 0.000 2.945 30 T HA 0.662 5.011 4.350 -0.003 0.000 0.286 30 T C -0.022 174.748 174.700 0.116 0.000 1.025 30 T CA -1.087 61.066 62.100 0.088 0.000 1.039 30 T CB 1.418 70.300 68.868 0.025 0.000 1.068 30 T HN 0.566 nan 8.240 nan 0.000 0.497 31 L N -1.505 119.822 121.223 0.174 0.000 2.505 31 L HA 0.762 5.101 4.340 -0.003 0.000 0.259 31 L C 0.470 177.491 176.870 0.252 0.000 0.952 31 L CA -1.098 53.851 54.840 0.182 0.000 0.840 31 L CB 1.301 43.458 42.059 0.164 0.000 1.358 31 L HN 1.157 nan 8.230 nan 0.000 0.409 32 A N 1.534 124.478 122.820 0.206 0.000 2.790 32 A HA 0.076 4.394 4.320 -0.003 0.000 0.277 32 A C 1.567 179.241 177.584 0.150 0.000 1.435 32 A CA 1.922 54.085 52.037 0.210 0.000 0.877 32 A CB -2.131 17.002 19.000 0.223 0.000 1.007 32 A HN 2.809 nan 8.150 nan 0.000 0.613 33 G N -2.892 105.960 108.800 0.086 0.000 2.278 33 G HA2 -0.144 3.814 3.960 -0.003 0.000 0.210 33 G HA3 -0.144 3.814 3.960 -0.003 0.000 0.210 33 G C 0.116 174.973 174.900 -0.073 0.000 1.000 33 G CA 0.398 45.504 45.100 0.011 0.000 0.635 33 G HN 1.132 nan 8.290 nan 0.000 0.495 34 R N 0.853 121.247 120.500 -0.177 0.000 2.803 34 R HA 0.643 4.981 4.340 -0.003 0.000 0.276 34 R C 0.495 176.662 176.300 -0.221 0.000 0.978 34 R CA 0.036 55.917 56.100 -0.365 0.000 0.939 34 R CB 1.676 31.452 30.300 -0.874 0.000 1.179 34 R HN 0.442 nan 8.270 nan 0.000 0.472 35 S N 1.084 116.718 115.700 -0.111 0.000 2.600 35 S HA 0.075 4.543 4.470 -0.003 0.000 0.265 35 S C 1.496 176.149 174.600 0.089 0.000 1.325 35 S CA -0.512 57.699 58.200 0.018 0.000 1.002 35 S CB 0.680 63.898 63.200 0.029 0.000 0.921 35 S HN 0.599 nan 8.310 nan 0.000 0.554 36 M N 0.318 120.021 119.600 0.172 0.000 2.149 36 M HA -0.107 4.371 4.480 -0.003 0.000 0.261 36 M C 1.992 178.391 176.300 0.165 0.000 1.064 36 M CA 1.342 56.768 55.300 0.210 0.000 1.102 36 M CB -0.754 31.933 32.600 0.146 0.000 1.369 36 M HN 0.719 nan 8.290 nan 0.000 0.408 37 L N -0.235 121.056 121.223 0.114 0.000 2.093 37 L HA -0.124 4.214 4.340 -0.003 0.000 0.208 37 L C 2.619 179.545 176.870 0.093 0.000 1.085 37 L CA 1.866 56.760 54.840 0.090 0.000 0.755 37 L CB -0.711 41.390 42.059 0.069 0.000 0.904 37 L HN 0.209 nan 8.230 nan 0.000 0.435 38 S N -1.758 113.988 115.700 0.076 0.000 2.387 38 S HA -0.202 4.266 4.470 -0.003 0.000 0.226 38 S C 1.970 176.676 174.600 0.177 0.000 1.026 38 S CA 1.272 59.534 58.200 0.103 0.000 0.972 38 S CB -0.410 62.798 63.200 0.013 0.000 0.814 38 S HN 0.713 nan 8.310 nan 0.000 0.477 39 H N -0.075 119.058 119.070 0.105 0.000 2.321 39 H HA -0.025 4.529 4.556 -0.002 0.000 0.300 39 H C 2.198 177.579 175.328 0.088 0.000 1.087 39 H CA 1.730 57.822 56.048 0.074 0.000 1.319 39 H CB -0.160 29.624 29.762 0.037 0.000 1.379 39 H HN 0.211 nan 8.280 nan 0.000 0.501 40 V N 0.907 120.943 119.914 0.204 0.000 2.255 40 V HA -0.279 3.840 4.120 -0.003 0.000 0.247 40 V C 2.367 178.522 176.094 0.101 0.000 1.051 40 V CA 1.894 64.266 62.300 0.120 0.000 1.018 40 V CB -0.571 31.304 31.823 0.086 0.000 0.641 40 V HN 0.367 nan 8.190 nan 0.000 0.445 41 L N -1.117 120.161 121.223 0.092 0.000 2.201 41 L HA -0.174 4.164 4.340 -0.003 0.000 0.212 41 L C 2.476 179.355 176.870 0.015 0.000 1.105 41 L CA 1.445 56.307 54.840 0.036 0.000 0.775 41 L CB -0.770 41.288 42.059 -0.002 0.000 0.913 41 L HN 0.410 nan 8.230 nan 0.000 0.440 42 H N -0.331 118.756 119.070 0.028 0.000 2.353 42 H HA -0.103 4.451 4.556 -0.003 0.000 0.300 42 H C 2.301 177.646 175.328 0.028 0.000 1.090 42 H CA 1.526 57.590 56.048 0.026 0.000 1.327 42 H CB -0.002 29.780 29.762 0.034 0.000 1.383 42 H HN 0.330 nan 8.280 nan 0.000 0.508 43 A N 0.430 123.343 122.820 0.156 0.000 1.902 43 A HA -0.127 4.191 4.320 -0.003 0.000 0.217 43 A C 2.351 179.962 177.584 0.045 0.000 1.181 43 A CA 1.521 53.610 52.037 0.086 0.000 0.623 43 A CB -0.642 18.400 19.000 0.069 0.000 0.818 43 A HN 0.374 nan 8.150 nan 0.000 0.443 44 I N -0.405 120.186 120.570 0.035 0.000 2.252 44 I HA -0.225 3.944 4.170 -0.003 0.000 0.245 44 I C 2.923 179.042 176.117 0.002 0.000 1.102 44 I CA 0.929 62.238 61.300 0.015 0.000 1.385 44 I CB -0.260 37.747 38.000 0.011 0.000 1.064 44 I HN 0.351 nan 8.210 nan 0.000 0.414 45 A N 0.443 123.256 122.820 -0.012 0.000 1.930 45 A HA -0.208 4.111 4.320 -0.003 0.000 0.217 45 A C 2.330 179.906 177.584 -0.012 0.000 1.175 45 A CA 1.386 53.404 52.037 -0.032 0.000 0.627 45 A CB -0.431 18.520 19.000 -0.082 0.000 0.815 45 A HN 0.252 nan 8.150 nan 0.000 0.443 46 K N -1.020 119.384 120.400 0.008 0.000 2.113 46 K HA -0.167 4.151 4.320 -0.003 0.000 0.208 46 K C 1.837 178.443 176.600 0.010 0.000 1.047 46 K CA 1.487 57.784 56.287 0.017 0.000 0.928 46 K CB -0.305 32.215 32.500 0.032 0.000 0.716 46 K HN 0.419 nan 8.250 nan 0.000 0.446 47 L N 0.491 121.719 121.223 0.009 0.000 2.109 47 L HA -0.001 4.338 4.340 -0.003 0.000 0.207 47 L C 0.236 177.110 176.870 0.007 0.000 1.086 47 L CA 1.491 56.336 54.840 0.007 0.000 0.760 47 L CB -0.342 41.721 42.059 0.007 0.000 0.910 47 L HN 0.270 nan 8.230 nan 0.000 0.437 48 A N -0.543 122.279 122.820 0.004 0.000 2.301 48 A HA -0.114 4.204 4.320 -0.003 0.000 0.283 48 A C -1.986 175.605 177.584 0.011 0.000 1.419 48 A CA 0.370 52.410 52.037 0.004 0.000 0.730 48 A CB -2.530 16.472 19.000 0.004 0.000 1.161 48 A HN 0.414 nan 8.150 nan 0.000 0.356 49 P HA 0.434 nan 4.420 nan 0.000 0.279 49 P C 0.629 177.944 177.300 0.026 0.000 1.276 49 P CA -0.170 62.945 63.100 0.026 0.000 0.801 49 P CB 0.585 32.299 31.700 0.023 0.000 1.127 50 Q N -0.893 118.935 119.800 0.047 0.000 2.212 50 Q HA 0.098 4.437 4.340 -0.003 0.000 0.199 50 Q C 0.369 176.380 176.000 0.018 0.000 0.950 50 Q CA 1.401 57.232 55.803 0.047 0.000 0.863 50 Q CB 0.069 28.860 28.738 0.089 0.000 0.944 50 Q HN 0.275 nan 8.270 nan 0.000 0.465 51 R N 0.355 120.854 120.500 -0.002 0.000 2.575 51 R HA 0.477 4.815 4.340 -0.003 0.000 0.293 51 R C -1.459 174.809 176.300 -0.053 0.000 0.983 51 R CA -0.892 55.173 56.100 -0.058 0.000 0.887 51 R CB 1.745 31.948 30.300 -0.162 0.000 1.184 51 R HN 0.036 nan 8.270 nan 0.000 0.445 52 L N 4.319 125.512 121.223 -0.050 0.000 2.376 52 L HA 0.629 4.967 4.340 -0.003 0.000 0.275 52 L C -1.301 175.542 176.870 -0.046 0.000 0.987 52 L CA -0.450 54.367 54.840 -0.039 0.000 0.828 52 L CB 1.393 43.435 42.059 -0.028 0.000 1.249 52 L HN 0.604 nan 8.230 nan 0.000 0.409 53 I N 5.247 125.790 120.570 -0.044 0.000 2.619 53 I HA 0.592 4.760 4.170 -0.003 0.000 0.292 53 I C -1.010 175.088 176.117 -0.031 0.000 1.100 53 I CA -0.874 60.398 61.300 -0.047 0.000 1.043 53 I CB 2.406 40.367 38.000 -0.065 0.000 1.239 53 I HN 0.246 nan 8.210 nan 0.000 0.420 54 V N 6.156 126.052 119.914 -0.029 0.000 2.540 54 V HA 0.477 4.595 4.120 -0.003 0.000 0.302 54 V C -0.301 175.779 176.094 -0.024 0.000 1.035 54 V CA -0.751 61.538 62.300 -0.019 0.000 0.873 54 V CB 2.156 33.969 31.823 -0.016 0.000 0.992 54 V HN 0.392 nan 8.190 nan 0.000 0.428 55 V N 6.273 126.178 119.914 -0.014 0.000 2.435 55 V HA 0.580 4.699 4.120 -0.003 0.000 0.290 55 V C -0.203 175.885 176.094 -0.010 0.000 1.030 55 V CA -0.420 61.870 62.300 -0.017 0.000 0.881 55 V CB 1.488 33.306 31.823 -0.009 0.000 0.983 55 V HN 0.642 nan 8.190 nan 0.000 0.445 56 L N 2.911 124.119 121.223 -0.025 0.000 2.333 56 L HA 0.846 5.184 4.340 -0.003 0.000 0.263 56 L C 0.957 177.814 176.870 -0.021 0.000 1.014 56 L CA -0.339 54.479 54.840 -0.037 0.000 0.820 56 L CB 2.128 44.132 42.059 -0.092 0.000 1.352 56 L HN 0.729 nan 8.230 nan 0.000 0.421 57 G N -1.307 107.492 108.800 -0.002 0.000 2.487 57 G HA2 0.051 4.009 3.960 -0.003 0.000 0.212 57 G HA3 0.051 4.009 3.960 -0.003 0.000 0.212 57 G C 0.070 175.000 174.900 0.050 0.000 1.988 57 G CA -0.076 45.053 45.100 0.048 0.000 0.724 57 G HN 0.706 nan 8.290 nan 0.000 0.755 58 H N 1.773 120.854 119.070 0.019 0.000 3.138 58 H HA 0.152 4.706 4.556 -0.003 0.000 0.275 58 H C -0.435 174.901 175.328 0.013 0.000 0.997 58 H CA 0.977 57.042 56.048 0.028 0.000 1.460 58 H CB 0.755 30.544 29.762 0.045 0.000 1.524 58 H HN 0.540 nan 8.280 nan 0.000 0.532 59 D N 3.726 123.952 120.400 -0.291 0.000 2.489 59 D HA -0.098 4.541 4.640 -0.003 0.000 0.231 59 D C 1.022 177.166 176.300 -0.261 0.000 1.114 59 D CA -0.254 53.547 54.000 -0.331 0.000 0.842 59 D CB -0.145 40.505 40.800 -0.251 0.000 1.133 59 D HN 0.544 nan 8.370 nan 0.000 0.506 60 H N 1.462 120.468 119.070 -0.106 0.000 2.293 60 H HA -0.069 4.485 4.556 -0.003 0.000 0.300 60 H C 2.052 177.353 175.328 -0.045 0.000 1.082 60 H CA 1.693 57.712 56.048 -0.048 0.000 1.308 60 H CB 0.068 29.829 29.762 -0.003 0.000 1.375 60 H HN 0.271 nan 8.280 nan 0.000 0.495 61 Q N 0.734 120.598 119.800 0.105 0.000 2.030 61 Q HA -0.170 4.168 4.340 -0.003 0.000 0.204 61 Q C 2.525 178.533 176.000 0.013 0.000 0.986 61 Q CA 1.597 57.447 55.803 0.078 0.000 0.843 61 Q CB 0.143 28.978 28.738 0.161 0.000 0.904 61 Q HN 0.267 nan 8.270 nan 0.000 0.420 62 R N -0.374 120.079 120.500 -0.079 0.000 2.088 62 R HA -0.208 4.130 4.340 -0.003 0.000 0.232 62 R C 2.555 178.822 176.300 -0.055 0.000 1.136 62 R CA 2.219 58.271 56.100 -0.080 0.000 0.926 62 R CB -1.202 28.996 30.300 -0.170 0.000 0.837 62 R HN 0.422 nan 8.270 nan 0.000 0.429 63 I N 0.549 121.071 120.570 -0.079 0.000 2.236 63 I HA -0.218 3.950 4.170 -0.003 0.000 0.249 63 I C 2.462 178.563 176.117 -0.027 0.000 1.102 63 I CA 2.381 63.646 61.300 -0.058 0.000 1.365 63 I CB -1.912 36.042 38.000 -0.076 0.000 1.051 63 I HN 0.474 nan 8.210 nan 0.000 0.420 64 A N 0.840 123.655 122.820 -0.009 0.000 1.859 64 A HA -0.191 4.128 4.320 -0.003 0.000 0.218 64 A C 0.849 178.432 177.584 -0.002 0.000 1.209 64 A CA 2.304 54.343 52.037 0.003 0.000 0.639 64 A CB -2.133 16.878 19.000 0.018 0.000 0.835 64 A HN 0.567 nan 8.150 nan 0.000 0.450 65 P HA 0.024 nan 4.420 nan 0.000 0.225 65 P C -0.152 177.146 177.300 -0.004 0.000 1.148 65 P CA 0.634 63.734 63.100 0.001 0.000 0.779 65 P CB -0.163 31.543 31.700 0.009 0.000 0.780 66 L N -1.850 119.366 121.223 -0.012 0.000 2.349 66 L HA 0.367 4.705 4.340 -0.003 0.000 0.275 66 L C 2.006 178.863 176.870 -0.021 0.000 1.115 66 L CA -0.067 54.762 54.840 -0.017 0.000 0.820 66 L CB -0.338 41.707 42.059 -0.022 0.000 1.135 66 L HN -0.120 nan 8.230 nan 0.000 0.445 67 V N 1.835 121.733 119.914 -0.026 0.000 0.558 67 V HA -0.325 3.793 4.120 -0.003 0.000 0.092 67 V C 1.149 177.231 176.094 -0.021 0.000 2.022 67 V CA 1.782 64.066 62.300 -0.027 0.000 3.478 67 V CB -2.065 nan 31.823 nan 0.000 0.770 67 V HN 1.014 nan 8.190 nan 0.000 0.801 68 G N -0.418 108.372 108.800 -0.016 0.000 2.327 68 G HA2 0.479 4.437 3.960 -0.003 0.000 0.278 68 G HA3 0.479 4.437 3.960 -0.003 0.000 0.278 68 G C 0.481 175.376 174.900 -0.008 0.000 1.145 68 G CA 1.608 46.702 45.100 -0.010 0.000 1.097 68 G HN 1.748 nan 8.290 nan 0.000 0.430 69 E N 0.466 120.662 120.200 -0.008 0.000 4.646 69 E HA -0.242 4.106 4.350 -0.003 0.000 0.164 69 E C 1.734 178.328 176.600 -0.010 0.000 0.971 69 E CA 1.469 57.866 56.400 -0.004 0.000 2.508 69 E CB -1.293 28.407 29.700 0.001 0.000 1.645 69 E HN 0.464 nan 8.360 nan 0.000 0.567 70 L N -0.533 120.678 121.223 -0.020 0.000 2.269 70 L HA 0.283 4.621 4.340 -0.003 0.000 0.200 70 L C 2.384 179.214 176.870 -0.068 0.000 1.069 70 L CA 0.880 55.694 54.840 -0.043 0.000 0.804 70 L CB -0.111 41.927 42.059 -0.035 0.000 0.987 70 L HN 0.280 nan 8.230 nan 0.000 0.468 71 A N -0.096 122.694 122.820 -0.050 0.000 1.972 71 A HA -0.212 4.106 4.320 -0.003 0.000 0.219 71 A C 1.764 179.322 177.584 -0.044 0.000 1.169 71 A CA 1.843 53.850 52.037 -0.050 0.000 0.635 71 A CB -0.413 18.565 19.000 -0.037 0.000 0.810 71 A HN 0.336 nan 8.150 nan 0.000 0.446 72 D N -0.375 120.005 120.400 -0.033 0.000 2.077 72 D HA -0.086 4.552 4.640 -0.003 0.000 0.197 72 D C 2.086 178.368 176.300 -0.030 0.000 0.983 72 D CA 2.030 56.014 54.000 -0.026 0.000 0.841 72 D CB -1.007 39.784 40.800 -0.016 0.000 0.992 72 D HN 0.337 nan 8.370 nan 0.000 0.450 73 T N 1.219 115.756 114.554 -0.028 0.000 2.714 73 T HA -0.179 4.170 4.350 -0.003 0.000 0.268 73 T C 2.003 176.673 174.700 -0.050 0.000 1.036 73 T CA 0.950 63.037 62.100 -0.021 0.000 1.148 73 T CB -0.313 68.555 68.868 -0.001 0.000 0.856 73 T HN 0.120 nan 8.240 nan 0.000 0.462 74 L N -0.020 121.146 121.223 -0.094 0.000 2.509 74 L HA 0.281 4.619 4.340 -0.003 0.000 0.222 74 L C 1.644 178.476 176.870 -0.063 0.000 1.123 74 L CA 0.168 54.941 54.840 -0.113 0.000 0.856 74 L CB -0.373 41.582 42.059 -0.174 0.000 0.985 74 L HN 0.441 nan 8.230 nan 0.000 0.456 75 G N 1.977 110.749 108.800 -0.045 0.000 2.333 75 G HA2 -0.289 3.669 3.960 -0.003 0.000 0.296 75 G HA3 -0.289 3.669 3.960 -0.003 0.000 0.296 75 G C 0.139 175.021 174.900 -0.029 0.000 1.059 75 G CA 0.765 45.847 45.100 -0.030 0.000 1.050 75 G HN 0.584 nan 8.290 nan 0.000 0.508 76 R N -2.246 118.233 120.500 -0.034 0.000 2.747 76 R HA 0.710 5.048 4.340 -0.003 0.000 0.272 76 R C -0.679 175.603 176.300 -0.030 0.000 1.032 76 R CA -0.540 55.542 56.100 -0.029 0.000 0.896 76 R CB 0.329 30.610 30.300 -0.031 0.000 1.253 76 R HN 0.114 nan 8.270 nan 0.000 0.461 77 T N 1.586 116.123 114.554 -0.027 0.000 2.806 77 T HA 0.501 4.849 4.350 -0.003 0.000 0.290 77 T C 0.049 174.729 174.700 -0.033 0.000 0.966 77 T CA -0.377 61.706 62.100 -0.028 0.000 1.060 77 T CB 0.525 69.378 68.868 -0.025 0.000 0.927 77 T HN 0.332 nan 8.240 nan 0.000 0.485 78 I N 3.306 123.856 120.570 -0.035 0.000 2.439 78 I HA 0.246 4.415 4.170 -0.003 0.000 0.283 78 I C -0.229 175.865 176.117 -0.037 0.000 1.023 78 I CA -0.901 60.377 61.300 -0.037 0.000 1.100 78 I CB 1.413 39.391 38.000 -0.036 0.000 1.238 78 I HN 0.557 nan 8.210 nan 0.000 0.445 79 D N 5.932 126.306 120.400 -0.043 0.000 2.339 79 D HA 0.369 5.007 4.640 -0.003 0.000 0.245 79 D C -0.314 175.959 176.300 -0.045 0.000 1.115 79 D CA -0.144 53.829 54.000 -0.045 0.000 0.917 79 D CB 2.514 43.281 40.800 -0.054 0.000 1.192 79 D HN 0.058 nan 8.370 nan 0.000 0.428 80 V N 0.396 120.283 119.914 -0.045 0.000 2.604 80 V HA 0.643 4.762 4.120 -0.003 0.000 0.305 80 V C -0.108 175.956 176.094 -0.049 0.000 1.043 80 V CA -0.808 61.465 62.300 -0.046 0.000 0.888 80 V CB 1.643 33.436 31.823 -0.049 0.000 0.995 80 V HN 0.735 nan 8.190 nan 0.000 0.429 81 A N 4.504 127.294 122.820 -0.049 0.000 2.365 81 A HA 0.949 5.268 4.320 -0.003 0.000 0.318 81 A C -1.252 176.304 177.584 -0.046 0.000 1.091 81 A CA -0.522 51.485 52.037 -0.050 0.000 0.763 81 A CB 1.361 20.328 19.000 -0.056 0.000 1.248 81 A HN 0.682 nan 8.150 nan 0.000 0.442 82 L N 0.749 121.947 121.223 -0.042 0.000 2.334 82 L HA 0.578 4.916 4.340 -0.003 0.000 0.270 82 L C 0.351 177.216 176.870 -0.008 0.000 1.018 82 L CA -0.030 54.789 54.840 -0.035 0.000 0.811 82 L CB 1.777 43.810 42.059 -0.044 0.000 1.271 82 L HN 0.799 nan 8.230 nan 0.000 0.443 83 Q N 1.387 121.196 119.800 0.016 0.000 2.490 83 Q HA 0.214 4.552 4.340 -0.003 0.000 0.255 83 Q C -0.669 175.373 176.000 0.070 0.000 0.997 83 Q CA -0.424 55.423 55.803 0.073 0.000 0.709 83 Q CB 1.103 29.902 28.738 0.102 0.000 1.255 83 Q HN 0.699 nan 8.270 nan 0.000 0.486 84 D N 1.896 122.339 120.400 0.073 0.000 2.117 84 D HA -0.080 4.558 4.640 -0.003 0.000 0.198 84 D C 0.696 177.011 176.300 0.024 0.000 0.982 84 D CA 1.028 55.052 54.000 0.039 0.000 0.828 84 D CB 0.327 41.147 40.800 0.032 0.000 0.967 84 D HN 0.552 nan 8.370 nan 0.000 0.464 85 R N 1.554 122.058 120.500 0.007 0.000 2.460 85 R HA 0.443 4.781 4.340 -0.003 0.000 0.303 85 R C -2.652 173.615 176.300 -0.055 0.000 0.968 85 R CA -1.800 54.272 56.100 -0.047 0.000 0.889 85 R CB -0.212 30.026 30.300 -0.103 0.000 1.123 85 R HN -0.112 nan 8.270 nan 0.000 0.455 86 P HA 0.155 nan 4.420 nan 0.000 0.235 86 P C 0.180 177.460 177.300 -0.034 0.000 1.765 86 P CA -0.103 62.995 63.100 -0.003 0.000 1.034 86 P CB -0.115 31.593 31.700 0.013 0.000 1.984 87 L N -0.155 121.012 121.223 -0.094 0.000 2.217 87 L HA 0.181 4.519 4.340 -0.003 0.000 0.211 87 L C 1.371 178.237 176.870 -0.007 0.000 1.107 87 L CA 1.217 55.972 54.840 -0.143 0.000 0.783 87 L CB -0.481 41.287 42.059 -0.485 0.000 0.919 87 L HN 0.422 nan 8.230 nan 0.000 0.442 88 G N -1.637 107.210 108.800 0.079 0.000 2.343 88 G HA2 -0.150 3.809 3.960 -0.003 0.000 0.465 88 G HA3 -0.150 3.809 3.960 -0.003 0.000 0.465 88 G C 0.385 175.374 174.900 0.147 0.000 1.282 88 G CA -0.109 45.068 45.100 0.129 0.000 0.996 88 G HN -0.013 nan 8.290 nan 0.000 0.521 89 T N -1.769 112.879 114.554 0.157 0.000 2.857 89 T HA 0.159 4.508 4.350 -0.003 0.000 0.266 89 T C 2.602 177.351 174.700 0.083 0.000 1.048 89 T CA 2.140 64.313 62.100 0.120 0.000 1.139 89 T CB -0.656 68.289 68.868 0.128 0.000 0.874 89 T HN 1.840 nan 8.240 nan 0.000 0.455 90 G N 0.925 109.776 108.800 0.085 0.000 2.476 90 G HA2 -0.342 3.617 3.960 -0.003 0.000 0.218 90 G HA3 -0.342 3.617 3.960 -0.003 0.000 0.218 90 G C 1.414 176.331 174.900 0.029 0.000 1.164 90 G CA 1.311 46.428 45.100 0.029 0.000 0.768 90 G HN 0.720 nan 8.290 nan 0.000 0.560 91 H N 0.868 119.928 119.070 -0.016 0.000 2.357 91 H HA 0.225 4.779 4.556 -0.003 0.000 0.301 91 H C 2.720 178.037 175.328 -0.017 0.000 1.082 91 H CA 1.697 57.732 56.048 -0.021 0.000 1.342 91 H CB -0.280 29.473 29.762 -0.015 0.000 1.389 91 H HN 0.286 nan 8.280 nan 0.000 0.511 92 A N 0.109 122.956 122.820 0.045 0.000 1.927 92 A HA -0.210 4.109 4.320 -0.003 0.000 0.220 92 A C 2.621 180.161 177.584 -0.073 0.000 1.185 92 A CA 2.127 54.162 52.037 -0.003 0.000 0.639 92 A CB -1.129 17.904 19.000 0.056 0.000 0.820 92 A HN 0.352 nan 8.150 nan 0.000 0.451 93 V N -0.703 119.172 119.914 -0.065 0.000 2.427 93 V HA -0.203 3.915 4.120 -0.003 0.000 0.248 93 V C 2.451 178.462 176.094 -0.138 0.000 1.051 93 V CA 1.779 64.028 62.300 -0.084 0.000 1.048 93 V CB -0.751 31.015 31.823 -0.096 0.000 0.666 93 V HN 0.526 nan 8.190 nan 0.000 0.456 94 L N -0.049 121.059 121.223 -0.192 0.000 1.989 94 L HA -0.190 4.149 4.340 -0.003 0.000 0.211 94 L C 2.538 179.264 176.870 -0.241 0.000 1.071 94 L CA 2.141 56.844 54.840 -0.228 0.000 0.749 94 L CB -0.916 40.974 42.059 -0.282 0.000 0.890 94 L HN 0.386 nan 8.230 nan 0.000 0.431 95 C N -0.549 118.555 119.300 -0.326 0.000 2.398 95 C HA -0.180 4.279 4.460 -0.003 0.000 0.276 95 C C 2.742 177.655 174.990 -0.128 0.000 1.222 95 C CA 0.822 59.712 59.018 -0.214 0.000 1.746 95 C CB -2.028 25.604 27.740 -0.181 0.000 2.039 95 C HN 0.748 nan 8.230 nan 0.000 0.470 96 G N -0.124 108.611 108.800 -0.108 0.000 2.470 96 G HA2 -0.124 3.834 3.960 -0.003 0.000 0.220 96 G HA3 -0.124 3.834 3.960 -0.003 0.000 0.220 96 G C 1.501 176.346 174.900 -0.091 0.000 1.121 96 G CA 0.436 45.487 45.100 -0.083 0.000 0.766 96 G HN 0.575 nan 8.290 nan 0.000 0.553 97 L N 1.484 122.648 121.223 -0.099 0.000 2.313 97 L HA -0.018 4.321 4.340 -0.003 0.000 0.214 97 L C 3.094 179.915 176.870 -0.081 0.000 1.119 97 L CA 0.971 55.758 54.840 -0.089 0.000 0.809 97 L CB -0.200 41.810 42.059 -0.081 0.000 0.933 97 L HN 0.355 nan 8.230 nan 0.000 0.449 98 S N 0.233 115.884 115.700 -0.081 0.000 2.440 98 S HA -0.145 4.323 4.470 -0.003 0.000 0.238 98 S C 1.906 176.469 174.600 -0.063 0.000 1.010 98 S CA 0.867 59.028 58.200 -0.065 0.000 0.972 98 S CB -0.319 62.843 63.200 -0.063 0.000 0.774 98 S HN 0.360 nan 8.310 nan 0.000 0.501 99 A N 0.612 123.385 122.820 -0.078 0.000 2.238 99 A HA 0.492 4.810 4.320 -0.003 0.000 0.208 99 A C 0.753 178.275 177.584 -0.102 0.000 1.177 99 A CA -0.141 51.848 52.037 -0.080 0.000 0.804 99 A CB -0.312 18.639 19.000 -0.082 0.000 0.823 99 A HN 0.532 nan 8.150 nan 0.000 0.482 100 L N 1.170 122.321 121.223 -0.119 0.000 2.357 100 L HA 0.340 4.678 4.340 -0.003 0.000 0.273 100 L C -2.102 174.738 176.870 -0.049 0.000 1.080 100 L CA -2.312 52.435 54.840 -0.154 0.000 0.803 100 L CB 0.812 42.714 42.059 -0.262 0.000 1.174 100 L HN 0.040 nan 8.230 nan 0.000 0.443 101 P HA -0.042 nan 4.420 nan 0.000 0.264 101 P C -0.019 177.325 177.300 0.073 0.000 1.193 101 P CA -0.025 63.102 63.100 0.046 0.000 0.763 101 P CB 0.684 32.435 31.700 0.085 0.000 0.810 102 D N 1.736 122.162 120.400 0.043 0.000 2.220 102 D HA -0.188 4.450 4.640 -0.003 0.000 0.198 102 D C 0.850 177.187 176.300 0.062 0.000 1.001 102 D CA 1.497 55.522 54.000 0.041 0.000 0.875 102 D CB -0.009 40.804 40.800 0.022 0.000 0.921 102 D HN 0.580 nan 8.370 nan 0.000 0.454 103 D N -0.676 119.765 120.400 0.068 0.000 2.538 103 D HA -0.130 4.509 4.640 -0.003 0.000 0.234 103 D C 0.099 176.449 176.300 0.082 0.000 1.191 103 D CA -0.541 53.493 54.000 0.057 0.000 0.828 103 D CB -0.993 39.827 40.800 0.034 0.000 0.981 103 D HN 0.117 nan 8.370 nan 0.000 0.490 104 Y N 1.192 121.492 120.300 0.000 0.000 2.544 104 Y HA 0.313 4.861 4.550 -0.003 0.000 0.330 104 Y C 1.207 177.114 175.900 0.011 0.000 1.136 104 Y CA -0.086 58.017 58.100 0.005 0.000 1.417 104 Y CB 1.303 39.765 38.460 0.003 0.000 1.229 104 Y HN 0.090 nan 8.280 nan 0.000 0.532 105 A N 5.235 127.654 122.820 -0.667 0.000 1.862 105 A HA 0.224 4.543 4.320 -0.003 0.000 0.211 105 A C 1.543 178.803 177.584 -0.540 0.000 1.220 105 A CA 0.730 52.480 52.037 -0.479 0.000 0.616 105 A CB -1.290 17.517 19.000 -0.322 0.000 0.878 105 A HN 0.922 nan 8.150 nan 0.000 0.453 106 G N 0.048 108.325 108.800 -0.872 0.000 2.661 106 G HA2 0.268 4.226 3.960 -0.003 0.000 0.272 106 G HA3 0.268 4.226 3.960 -0.003 0.000 0.272 106 G C -0.088 174.800 174.900 -0.019 0.000 1.296 106 G CA -0.465 44.428 45.100 -0.344 0.000 0.998 106 G HN 0.465 nan 8.290 nan 0.000 0.553 107 N N -1.687 117.077 118.700 0.107 0.000 2.371 107 N HA 0.239 4.977 4.740 -0.003 0.000 0.243 107 N C -0.535 175.103 175.510 0.213 0.000 1.287 107 N CA -0.002 53.150 53.050 0.169 0.000 0.911 107 N CB 1.575 40.141 38.487 0.132 0.000 1.142 107 N HN 0.112 nan 8.380 nan 0.000 0.451 108 V N 1.573 121.600 119.914 0.189 0.000 2.483 108 V HA 0.279 4.397 4.120 -0.003 0.000 0.297 108 V C -0.196 175.991 176.094 0.157 0.000 1.027 108 V CA -0.750 61.660 62.300 0.184 0.000 0.855 108 V CB 1.950 33.894 31.823 0.202 0.000 0.995 108 V HN 0.279 nan 8.190 nan 0.000 0.424 109 V N 5.732 125.704 119.914 0.097 0.000 2.435 109 V HA 0.581 4.699 4.120 -0.003 0.000 0.290 109 V C -0.266 175.894 176.094 0.110 0.000 1.030 109 V CA -0.577 61.760 62.300 0.062 0.000 0.881 109 V CB 1.992 33.819 31.823 0.006 0.000 0.983 109 V HN 0.591 nan 8.190 nan 0.000 0.445 110 V N 3.733 123.746 119.914 0.165 0.000 2.540 110 V HA 0.706 4.824 4.120 -0.003 0.000 0.302 110 V C 0.007 176.199 176.094 0.163 0.000 1.035 110 V CA -0.178 62.242 62.300 0.200 0.000 0.873 110 V CB 1.905 33.927 31.823 0.331 0.000 0.992 110 V HN 0.963 nan 8.190 nan 0.000 0.428 111 T N 2.572 117.191 114.554 0.109 0.000 2.865 111 T HA 0.620 4.968 4.350 -0.003 0.000 0.294 111 T C -0.410 174.332 174.700 0.071 0.000 1.119 111 T CA -0.207 61.933 62.100 0.068 0.000 1.007 111 T CB 2.107 70.995 68.868 0.033 0.000 1.225 111 T HN 0.660 nan 8.240 nan 0.000 0.515 112 S N -0.337 115.394 115.700 0.052 0.000 2.747 112 S HA 0.595 5.063 4.470 -0.003 0.000 0.300 112 S C 1.132 175.760 174.600 0.046 0.000 1.121 112 S CA -0.276 57.955 58.200 0.052 0.000 0.995 112 S CB 1.390 64.618 63.200 0.047 0.000 1.113 112 S HN 0.892 nan 8.310 nan 0.000 0.547 113 G N 0.080 108.911 108.800 0.051 0.000 3.189 113 G HA2 0.112 4.070 3.960 -0.003 0.000 0.225 113 G HA3 0.112 4.070 3.960 -0.003 0.000 0.225 113 G C -0.017 174.919 174.900 0.060 0.000 1.159 113 G CA -0.223 44.911 45.100 0.057 0.000 0.763 113 G HN 0.723 nan 8.290 nan 0.000 0.549 114 D N -0.636 119.792 120.400 0.046 0.000 2.501 114 D HA 0.121 4.759 4.640 -0.003 0.000 0.226 114 D C 0.262 176.576 176.300 0.023 0.000 1.198 114 D CA -0.292 53.731 54.000 0.038 0.000 0.830 114 D CB -0.009 40.806 40.800 0.026 0.000 1.014 114 D HN -0.068 nan 8.370 nan 0.000 0.496 115 T N 1.927 116.493 114.554 0.021 0.000 3.154 115 T HA 0.273 4.622 4.350 -0.003 0.000 0.381 115 T C -2.030 172.671 174.700 0.002 0.000 1.368 115 T CA -1.178 60.922 62.100 0.000 0.000 1.155 115 T CB 1.869 70.729 68.868 -0.013 0.000 1.120 115 T HN -0.002 nan 8.240 nan 0.000 0.570 116 P HA 0.160 nan 4.420 nan 0.000 0.245 116 P C 0.736 177.940 177.300 -0.159 0.000 1.212 116 P CA 0.063 63.131 63.100 -0.053 0.000 0.774 116 P CB 0.359 32.012 31.700 -0.079 0.000 0.999 117 L N -1.367 119.795 121.223 -0.102 0.000 2.609 117 L HA 0.222 4.560 4.340 -0.003 0.000 0.230 117 L C 1.047 177.882 176.870 -0.059 0.000 1.087 117 L CA -0.132 54.648 54.840 -0.099 0.000 0.874 117 L CB -0.432 41.575 42.059 -0.087 0.000 1.114 117 L HN -0.076 nan 8.230 nan 0.000 0.488 118 L N 1.687 122.885 121.223 -0.041 0.000 2.540 118 L HA 0.108 4.446 4.340 -0.003 0.000 0.276 118 L C -0.033 176.827 176.870 -0.016 0.000 1.212 118 L CA 0.412 55.232 54.840 -0.032 0.000 0.893 118 L CB -0.141 41.903 42.059 -0.026 0.000 1.138 118 L HN 0.274 nan 8.230 nan 0.000 0.491 119 D N 3.426 123.813 120.400 -0.021 0.000 2.497 119 D HA 0.405 5.043 4.640 -0.003 0.000 0.243 119 D C 0.480 176.776 176.300 -0.006 0.000 1.039 119 D CA -0.116 53.880 54.000 -0.007 0.000 1.052 119 D CB 1.340 42.131 40.800 -0.015 0.000 1.344 119 D HN 0.547 nan 8.370 nan 0.000 0.553 120 A N 0.353 123.176 122.820 0.004 0.000 1.972 120 A HA -0.195 4.123 4.320 -0.003 0.000 0.219 120 A C 1.475 179.054 177.584 -0.009 0.000 1.169 120 A CA 1.699 53.737 52.037 0.001 0.000 0.635 120 A CB -0.622 18.383 19.000 0.009 0.000 0.810 120 A HN 0.570 nan 8.150 nan 0.000 0.446 121 D N -0.475 119.917 120.400 -0.013 0.000 2.097 121 D HA -0.091 4.548 4.640 -0.003 0.000 0.195 121 D C 2.013 178.297 176.300 -0.027 0.000 0.989 121 D CA 1.882 55.871 54.000 -0.018 0.000 0.827 121 D CB -0.759 40.029 40.800 -0.021 0.000 0.966 121 D HN 0.392 nan 8.370 nan 0.000 0.456 122 T N 1.164 115.697 114.554 -0.035 0.000 2.746 122 T HA -0.067 4.281 4.350 -0.003 0.000 0.267 122 T C 2.202 176.872 174.700 -0.050 0.000 1.039 122 T CA 0.550 62.621 62.100 -0.049 0.000 1.142 122 T CB -0.241 68.592 68.868 -0.058 0.000 0.866 122 T HN 0.120 nan 8.240 nan 0.000 0.444 123 L N 0.527 121.727 121.223 -0.038 0.000 2.093 123 L HA -0.029 4.309 4.340 -0.003 0.000 0.208 123 L C 2.974 179.825 176.870 -0.032 0.000 1.085 123 L CA 1.042 55.860 54.840 -0.037 0.000 0.755 123 L CB -0.563 41.483 42.059 -0.023 0.000 0.904 123 L HN 0.251 nan 8.230 nan 0.000 0.435 124 A N -0.360 122.447 122.820 -0.022 0.000 1.929 124 A HA -0.179 4.140 4.320 -0.003 0.000 0.216 124 A C 1.866 179.440 177.584 -0.016 0.000 1.176 124 A CA 1.563 53.592 52.037 -0.014 0.000 0.628 124 A CB -0.361 18.634 19.000 -0.008 0.000 0.816 124 A HN 0.302 nan 8.150 nan 0.000 0.444 125 D N -0.359 120.026 120.400 -0.026 0.000 2.178 125 D HA -0.112 4.527 4.640 -0.003 0.000 0.202 125 D C 1.809 178.085 176.300 -0.041 0.000 0.974 125 D CA 1.089 55.071 54.000 -0.030 0.000 0.841 125 D CB -0.291 40.487 40.800 -0.037 0.000 0.953 125 D HN 0.383 nan 8.370 nan 0.000 0.478 126 L N 0.598 121.789 121.223 -0.054 0.000 2.027 126 L HA -0.057 4.281 4.340 -0.003 0.000 0.206 126 L C 2.047 178.892 176.870 -0.042 0.000 1.074 126 L CA 1.374 56.169 54.840 -0.074 0.000 0.745 126 L CB -0.438 41.561 42.059 -0.099 0.000 0.898 126 L HN -0.039 nan 8.230 nan 0.000 0.433 127 I N -0.208 120.345 120.570 -0.028 0.000 2.226 127 I HA -0.286 3.882 4.170 -0.003 0.000 0.245 127 I C 2.613 178.769 176.117 0.066 0.000 1.100 127 I CA 1.109 62.416 61.300 0.011 0.000 1.374 127 I CB -0.715 37.288 38.000 0.005 0.000 1.057 127 I HN 0.402 nan 8.210 nan 0.000 0.413 128 A N 0.659 123.499 122.820 0.033 0.000 1.858 128 A HA -0.216 4.102 4.320 -0.003 0.000 0.216 128 A C 2.385 179.992 177.584 0.038 0.000 1.190 128 A CA 2.560 54.616 52.037 0.032 0.000 0.617 128 A CB -1.220 17.788 19.000 0.012 0.000 0.827 128 A HN 0.377 nan 8.150 nan 0.000 0.443 129 T N -1.334 113.227 114.554 0.013 0.000 2.803 129 T HA -0.184 4.164 4.350 -0.003 0.000 0.269 129 T C 1.814 176.544 174.700 0.050 0.000 1.052 129 T CA 1.990 64.084 62.100 -0.011 0.000 1.136 129 T CB -0.407 68.369 68.868 -0.153 0.000 0.864 129 T HN 0.795 nan 8.240 nan 0.000 0.467 130 H N 1.118 120.168 119.070 -0.034 0.000 2.333 130 H HA 0.073 4.627 4.556 -0.003 0.000 0.302 130 H C 2.622 177.972 175.328 0.038 0.000 1.075 130 H CA 2.124 58.174 56.048 0.003 0.000 1.348 130 H CB -0.236 29.514 29.762 -0.020 0.000 1.393 130 H HN 0.236 nan 8.280 nan 0.000 0.509 131 R N 0.929 121.475 120.500 0.077 0.000 2.096 131 R HA 0.067 4.405 4.340 -0.003 0.000 0.235 131 R C 2.595 178.895 176.300 0.000 0.000 1.127 131 R CA 1.523 57.635 56.100 0.020 0.000 0.968 131 R CB -1.655 28.682 30.300 0.062 0.000 0.861 131 R HN 0.598 nan 8.270 nan 0.000 0.440 132 A N 0.800 123.636 122.820 0.026 0.000 1.917 132 A HA -0.064 4.255 4.320 -0.003 0.000 0.219 132 A C 2.417 180.016 177.584 0.024 0.000 1.182 132 A CA 2.337 54.392 52.037 0.030 0.000 0.633 132 A CB -0.581 18.446 19.000 0.046 0.000 0.819 132 A HN 1.189 nan 8.150 nan 0.000 0.448 133 V N -3.900 116.036 119.914 0.037 0.000 3.542 133 V HA 0.329 4.447 4.120 -0.003 0.000 0.296 133 V C 0.363 176.433 176.094 -0.040 0.000 1.364 133 V CA 0.223 62.534 62.300 0.019 0.000 1.118 133 V CB -1.254 30.616 31.823 0.080 0.000 0.972 133 V HN 0.508 nan 8.190 nan 0.000 0.430 134 S N 0.777 116.430 115.700 -0.078 0.000 3.583 134 S HA -0.133 4.335 4.470 -0.003 0.000 0.398 134 S C 1.016 175.528 174.600 -0.147 0.000 0.769 134 S CA 0.699 58.829 58.200 -0.118 0.000 1.331 134 S CB -1.187 61.977 63.200 -0.061 0.000 1.457 134 S HN 1.502 nan 8.310 nan 0.000 0.608 135 A N 2.422 125.057 122.820 -0.307 0.000 1.970 135 A HA 0.723 5.042 4.320 -0.003 0.000 0.204 135 A C 1.694 179.237 177.584 -0.069 0.000 1.325 135 A CA 1.363 53.276 52.037 -0.206 0.000 0.767 135 A CB -0.575 18.288 19.000 -0.229 0.000 0.949 135 A HN 2.419 nan 8.150 nan 0.000 0.481 136 A N -2.280 120.517 122.820 -0.039 0.000 1.254 136 A HA -0.168 4.150 4.320 -0.003 0.000 0.221 136 A C 0.721 178.514 177.584 0.348 0.000 0.750 136 A CA 1.106 53.243 52.037 0.166 0.000 1.097 136 A CB -1.876 17.196 19.000 0.120 0.000 1.470 136 A HN 1.935 nan 8.150 nan 0.000 0.723 137 V N 2.284 122.351 119.914 0.255 0.000 2.588 137 V HA 0.700 4.818 4.120 -0.003 0.000 0.304 137 V C -0.391 175.797 176.094 0.156 0.000 1.042 137 V CA 0.581 62.967 62.300 0.144 0.000 0.877 137 V CB 1.801 33.687 31.823 0.105 0.000 0.996 137 V HN 1.143 nan 8.190 nan 0.000 0.425 138 T N 5.746 120.368 114.554 0.113 0.000 2.856 138 T HA 0.618 4.966 4.350 -0.003 0.000 0.283 138 T C -0.796 173.858 174.700 -0.077 0.000 1.008 138 T CA -0.419 61.721 62.100 0.068 0.000 0.997 138 T CB 1.677 70.604 68.868 0.099 0.000 0.992 138 T HN 0.812 nan 8.240 nan 0.000 0.454 139 V N 4.306 124.187 119.914 -0.055 0.000 2.656 139 V HA 0.582 4.700 4.120 -0.003 0.000 0.307 139 V C -0.778 175.220 176.094 -0.160 0.000 1.051 139 V CA -1.071 61.151 62.300 -0.130 0.000 0.893 139 V CB 1.412 33.228 31.823 -0.012 0.000 0.999 139 V HN 0.835 nan 8.190 nan 0.000 0.426 140 L N 6.216 127.293 121.223 -0.244 0.000 2.371 140 L HA 0.609 4.947 4.340 -0.003 0.000 0.272 140 L C 0.462 177.243 176.870 -0.148 0.000 1.124 140 L CA 0.208 54.939 54.840 -0.182 0.000 0.816 140 L CB 1.750 43.689 42.059 -0.200 0.000 1.129 140 L HN 0.999 nan 8.230 nan 0.000 0.448 141 T N -0.844 113.660 114.554 -0.084 0.000 2.865 141 T HA 0.639 4.987 4.350 -0.003 0.000 0.294 141 T C -0.508 174.151 174.700 -0.069 0.000 1.119 141 T CA -0.727 61.355 62.100 -0.030 0.000 1.007 141 T CB 2.430 71.346 68.868 0.080 0.000 1.225 141 T HN 0.541 nan 8.240 nan 0.000 0.515 142 T N -0.186 114.356 114.554 -0.019 0.000 2.840 142 T HA 0.636 4.985 4.350 -0.003 0.000 0.317 142 T C -1.517 173.236 174.700 0.087 0.000 1.401 142 T CA -0.366 61.673 62.100 -0.102 0.000 1.028 142 T CB 1.916 70.695 68.868 -0.148 0.000 1.317 142 T HN 1.126 nan 8.240 nan 0.000 0.495 143 T N 2.985 117.633 114.554 0.157 0.000 2.829 143 T HA 0.785 5.133 4.350 -0.003 0.000 0.280 143 T C -0.870 173.864 174.700 0.058 0.000 0.999 143 T CA -0.538 61.643 62.100 0.135 0.000 0.983 143 T CB 0.377 69.364 68.868 0.198 0.000 0.968 143 T HN 0.503 nan 8.240 nan 0.000 0.446 144 L N 2.933 124.176 121.223 0.034 0.000 2.235 144 L HA 0.568 4.906 4.340 -0.003 0.000 0.260 144 L C 0.568 177.445 176.870 0.013 0.000 1.025 144 L CA -1.180 53.669 54.840 0.015 0.000 0.836 144 L CB 1.676 43.738 42.059 0.005 0.000 1.395 144 L HN 0.559 nan 8.230 nan 0.000 0.443 145 D N 0.140 120.544 120.400 0.007 0.000 2.165 145 D HA 0.008 4.646 4.640 -0.003 0.000 0.213 145 D C 0.384 176.687 176.300 0.005 0.000 0.983 145 D CA 1.380 55.383 54.000 0.006 0.000 0.881 145 D CB -0.129 40.673 40.800 0.003 0.000 1.028 145 D HN 0.683 nan 8.370 nan 0.000 0.457 146 D N 2.477 122.879 120.400 0.003 0.000 2.467 146 D HA 0.416 5.055 4.640 -0.003 0.000 0.220 146 D C -2.429 173.871 176.300 0.001 0.000 1.103 146 D CA -1.462 52.539 54.000 0.002 0.000 0.886 146 D CB 0.087 40.888 40.800 0.002 0.000 1.025 146 D HN -0.099 nan 8.370 nan 0.000 0.514 147 P HA 0.405 nan 4.420 nan 0.000 0.265 147 P C 0.043 177.342 177.300 -0.000 0.000 1.193 147 P CA -0.128 62.972 63.100 0.002 0.000 0.765 147 P CB 0.158 31.861 31.700 0.005 0.000 0.823 151 G N 1.074 109.862 108.800 -0.019 0.000 4.063 151 G HA2 0.340 4.298 3.960 -0.003 0.000 0.272 151 G HA3 0.340 4.298 3.960 -0.003 0.000 0.272 151 G C 0.727 175.628 174.900 0.001 0.000 0.852 151 G CA 3.014 48.107 45.100 -0.012 0.000 0.711 151 G HN 2.463 nan 8.290 nan 0.000 1.475 152 R N -2.260 118.246 120.500 0.009 0.000 4.920 152 R HA 0.498 4.836 4.340 -0.003 0.000 0.241 152 R C -0.168 176.147 176.300 0.025 0.000 0.971 152 R CA 0.149 56.258 56.100 0.015 0.000 1.351 152 R CB -0.550 29.759 30.300 0.014 0.000 1.208 152 R HN 1.461 nan 8.270 nan 0.000 0.653 162 M N 2.557 122.181 119.600 0.039 0.000 2.112 162 M HA 0.893 5.371 4.480 -0.003 0.000 0.246 162 M C 1.037 177.368 176.300 0.051 0.000 1.140 162 M CA 2.127 57.451 55.300 0.039 0.000 1.133 162 M CB -0.483 32.136 32.600 0.032 0.000 1.222 162 M HN 1.959 nan 8.290 nan 0.000 0.434 163 A N -1.446 121.406 122.820 0.054 0.000 3.201 163 A HA 0.787 5.105 4.320 -0.003 0.000 0.303 163 A C -1.712 175.913 177.584 0.069 0.000 1.173 163 A CA -0.237 51.839 52.037 0.066 0.000 0.621 163 A CB 0.476 19.513 19.000 0.062 0.000 1.468 163 A HN 0.957 nan 8.150 nan 0.000 0.632 164 I N 0.477 121.091 120.570 0.074 0.000 2.571 164 I HA 0.463 4.631 4.170 -0.003 0.000 0.286 164 I C -0.143 176.010 176.117 0.061 0.000 1.134 164 I CA -0.711 60.631 61.300 0.070 0.000 1.052 164 I CB 1.791 39.847 38.000 0.094 0.000 1.237 164 I HN 0.659 nan 8.210 nan 0.000 0.435 180 V N 1.083 121.016 119.914 0.031 0.000 3.234 180 V HA 0.658 4.776 4.120 -0.003 0.000 0.317 180 V C -0.087 176.009 176.094 0.002 0.000 1.147 180 V CA -1.005 61.302 62.300 0.012 0.000 1.037 180 V CB 1.807 33.630 31.823 0.000 0.000 1.148 180 V HN 0.603 nan 8.190 nan 0.000 0.455 181 N N 0.789 119.483 118.700 -0.010 0.000 2.419 181 N HA 0.516 5.254 4.740 -0.003 0.000 0.264 181 N C 0.748 176.212 175.510 -0.076 0.000 1.031 181 N CA 0.263 53.291 53.050 -0.036 0.000 0.951 181 N CB 1.508 39.994 38.487 -0.002 0.000 1.101 181 N HN 1.003 nan 8.380 nan 0.000 0.488 182 A N 3.324 126.069 122.820 -0.125 0.000 2.019 182 A HA 0.149 4.467 4.320 -0.003 0.000 0.219 182 A C 1.486 178.966 177.584 -0.173 0.000 1.164 182 A CA 1.234 53.185 52.037 -0.144 0.000 0.644 182 A CB -1.025 17.880 19.000 -0.159 0.000 0.805 182 A HN 1.371 nan 8.150 nan 0.000 0.449 183 G N -2.566 106.063 108.800 -0.285 0.000 2.132 183 G HA2 -0.114 3.844 3.960 -0.003 0.000 0.234 183 G HA3 -0.114 3.844 3.960 -0.003 0.000 0.234 183 G C -0.034 174.630 174.900 -0.394 0.000 0.989 183 G CA 0.089 45.037 45.100 -0.253 0.000 0.676 183 G HN 1.054 nan 8.290 nan 0.000 0.522 184 V N 0.367 119.914 119.914 -0.612 0.000 2.540 184 V HA 0.769 4.887 4.120 -0.003 0.000 0.302 184 V C -0.546 175.170 176.094 -0.630 0.000 1.035 184 V CA -1.040 61.009 62.300 -0.418 0.000 0.873 184 V CB 1.434 33.127 31.823 -0.217 0.000 0.992 184 V HN 0.285 nan 8.190 nan 0.000 0.428 185 Y N 1.982 122.208 120.300 -0.124 0.000 2.477 185 Y HA 0.796 5.344 4.550 -0.003 0.000 0.347 185 Y C 0.269 175.951 175.900 -0.365 0.000 0.981 185 Y CA -0.815 57.098 58.100 -0.311 0.000 1.033 185 Y CB 2.102 40.293 38.460 -0.449 0.000 1.245 185 Y HN 0.727 nan 8.280 nan 0.000 0.455 186 A N 3.172 125.771 122.820 -0.369 0.000 2.312 186 A HA 0.877 5.195 4.320 -0.003 0.000 0.326 186 A C -1.453 175.721 177.584 -0.683 0.000 1.172 186 A CA -0.439 51.280 52.037 -0.530 0.000 0.821 186 A CB 0.377 18.904 19.000 -0.788 0.000 1.166 186 A HN 0.657 nan 8.150 nan 0.000 0.493 187 F N -0.195 119.652 119.950 -0.171 0.000 2.603 187 F HA 0.368 4.893 4.527 -0.003 0.000 0.317 187 F C -0.079 175.826 175.800 0.175 0.000 1.066 187 F CA -0.557 57.485 58.000 0.069 0.000 0.941 187 F CB 2.134 41.165 39.000 0.052 0.000 1.291 187 F HN 0.667 nan 8.300 nan 0.000 0.472 188 D N 1.476 122.150 120.400 0.458 0.000 2.308 188 D HA 0.151 4.789 4.640 -0.003 0.000 0.251 188 D C 0.913 177.339 176.300 0.210 0.000 1.127 188 D CA -0.022 54.151 54.000 0.288 0.000 0.876 188 D CB 1.159 42.078 40.800 0.199 0.000 1.176 188 D HN 0.517 nan 8.370 nan 0.000 0.446 189 I N 4.226 124.889 120.570 0.155 0.000 2.264 189 I HA -0.180 3.988 4.170 -0.003 0.000 0.248 189 I C 1.804 177.956 176.117 0.058 0.000 1.111 189 I CA 1.952 63.320 61.300 0.113 0.000 1.382 189 I CB -0.106 37.983 38.000 0.147 0.000 1.060 189 I HN 0.543 nan 8.210 nan 0.000 0.418 190 A N 0.459 123.311 122.820 0.054 0.000 1.897 190 A HA 0.004 4.322 4.320 -0.003 0.000 0.215 190 A C 2.512 180.111 177.584 0.026 0.000 1.181 190 A CA 1.522 53.578 52.037 0.031 0.000 0.620 190 A CB -1.335 17.681 19.000 0.026 0.000 0.821 190 A HN 0.549 nan 8.150 nan 0.000 0.443 191 A N -0.407 122.445 122.820 0.054 0.000 1.908 191 A HA -0.072 4.247 4.320 -0.003 0.000 0.218 191 A C 2.161 179.750 177.584 0.008 0.000 1.181 191 A CA 1.840 53.912 52.037 0.059 0.000 0.627 191 A CB -0.602 18.473 19.000 0.125 0.000 0.818 191 A HN 0.731 nan 8.150 nan 0.000 0.445 192 L N -0.482 120.721 121.223 -0.033 0.000 2.044 192 L HA -0.038 4.301 4.340 -0.003 0.000 0.205 192 L C 2.399 179.161 176.870 -0.180 0.000 1.075 192 L CA 1.858 56.557 54.840 -0.235 0.000 0.747 192 L CB -0.547 41.263 42.059 -0.414 0.000 0.903 192 L HN 0.314 nan 8.230 nan 0.000 0.435 193 R N -0.918 119.523 120.500 -0.098 0.000 2.127 193 R HA -0.151 4.187 4.340 -0.003 0.000 0.238 193 R C 2.542 178.806 176.300 -0.059 0.000 1.134 193 R CA 1.427 57.483 56.100 -0.073 0.000 0.975 193 R CB -0.514 29.766 30.300 -0.034 0.000 0.865 193 R HN 0.542 nan 8.270 nan 0.000 0.447 194 S N 0.140 115.814 115.700 -0.043 0.000 2.395 194 S HA -0.027 4.441 4.470 -0.003 0.000 0.225 194 S C 1.993 176.572 174.600 -0.035 0.000 1.027 194 S CA 0.927 59.109 58.200 -0.029 0.000 0.965 194 S CB 0.038 63.232 63.200 -0.011 0.000 0.812 194 S HN 0.395 nan 8.310 nan 0.000 0.482 195 A N 0.929 123.719 122.820 -0.050 0.000 2.066 195 A HA 0.276 4.594 4.320 -0.003 0.000 0.218 195 A C 2.157 179.703 177.584 -0.062 0.000 1.157 195 A CA 0.704 52.714 52.037 -0.045 0.000 0.670 195 A CB -0.479 18.496 19.000 -0.041 0.000 0.804 195 A HN 0.567 nan 8.150 nan 0.000 0.453 196 L N -0.215 120.953 121.223 -0.091 0.000 2.068 196 L HA -0.122 4.216 4.340 -0.003 0.000 0.204 196 L C 3.066 179.903 176.870 -0.054 0.000 1.076 196 L CA 1.364 56.150 54.840 -0.091 0.000 0.753 196 L CB -0.444 41.538 42.059 -0.128 0.000 0.910 196 L HN 0.599 nan 8.230 nan 0.000 0.439 197 S N 0.819 116.491 115.700 -0.047 0.000 2.392 197 S HA -0.271 4.197 4.470 -0.003 0.000 0.232 197 S C 1.662 176.249 174.600 -0.021 0.000 1.041 197 S CA 1.502 59.684 58.200 -0.029 0.000 1.026 197 S CB -0.662 62.523 63.200 -0.025 0.000 0.845 197 S HN 0.420 nan 8.310 nan 0.000 0.465 198 R N 0.770 121.256 120.500 -0.022 0.000 3.785 198 R HA 0.775 5.113 4.340 -0.003 0.000 0.255 198 R C -0.214 176.074 176.300 -0.019 0.000 1.485 198 R CA 0.333 56.423 56.100 -0.017 0.000 1.555 198 R CB -1.059 29.234 30.300 -0.012 0.000 1.362 198 R HN 1.095 nan 8.270 nan 0.000 0.702 199 L N 0.014 121.224 121.223 -0.021 0.000 2.401 199 L HA 0.928 5.267 4.340 -0.003 0.000 0.266 199 L C 0.729 177.581 176.870 -0.030 0.000 0.991 199 L CA -0.312 54.513 54.840 -0.025 0.000 0.818 199 L CB 1.571 43.614 42.059 -0.028 0.000 1.321 199 L HN 0.801 nan 8.230 nan 0.000 0.413 200 S N -0.115 115.559 115.700 -0.043 0.000 2.869 200 S HA 0.761 5.229 4.470 -0.003 0.000 0.237 200 S C 1.032 175.577 174.600 -0.092 0.000 1.077 200 S CA 0.814 58.980 58.200 -0.056 0.000 1.140 200 S CB 1.116 64.287 63.200 -0.049 0.000 1.187 200 S HN 2.379 nan 8.310 nan 0.000 0.571 201 S N -0.334 115.301 115.700 -0.109 0.000 2.490 201 S HA 0.148 4.616 4.470 -0.003 0.000 0.280 201 S C -0.115 174.383 174.600 -0.170 0.000 1.048 201 S CA -0.027 58.082 58.200 -0.152 0.000 1.263 201 S CB -1.099 62.036 63.200 -0.108 0.000 1.053 201 S HN 0.887 nan 8.310 nan 0.000 0.538 202 N N 3.600 122.231 118.700 -0.115 0.000 2.420 202 N HA 0.456 5.194 4.740 -0.003 0.000 0.262 202 N C -0.563 174.905 175.510 -0.070 0.000 1.144 202 N CA 0.215 53.216 53.050 -0.081 0.000 0.952 202 N CB 0.264 38.722 38.487 -0.048 0.000 1.081 202 N HN 0.741 nan 8.380 nan 0.000 0.480 206 Q N 0.129 119.927 119.800 -0.002 0.000 2.470 206 Q HA -0.138 4.201 4.340 -0.003 0.000 0.290 206 Q C -0.772 175.181 176.000 -0.079 0.000 1.353 206 Q CA 1.562 57.334 55.803 -0.052 0.000 0.787 206 Q CB -2.454 26.267 28.738 -0.028 0.000 1.158 206 Q HN 0.903 nan 8.270 nan 0.000 0.426 207 E N -0.613 119.502 120.200 -0.142 0.000 2.450 207 E HA 0.722 5.071 4.350 -0.003 0.000 0.272 207 E C -0.748 175.672 176.600 -0.299 0.000 0.967 207 E CA -1.172 55.144 56.400 -0.141 0.000 0.818 207 E CB 0.893 30.590 29.700 -0.006 0.000 1.401 207 E HN -0.003 nan 8.360 nan 0.000 0.450 208 L N 2.353 123.476 121.223 -0.167 0.000 2.283 208 L HA 0.321 4.659 4.340 -0.003 0.000 0.281 208 L C -1.239 175.627 176.870 -0.007 0.000 1.033 208 L CA -0.294 54.457 54.840 -0.147 0.000 0.848 208 L CB -0.227 41.807 42.059 -0.043 0.000 1.226 208 L HN 0.371 nan 8.230 nan 0.000 0.429 209 Y N 2.372 122.682 120.300 0.017 0.000 2.326 209 Y HA 0.133 4.681 4.550 -0.003 0.000 0.333 209 Y C 0.938 176.837 175.900 -0.002 0.000 1.240 209 Y CA -0.849 57.263 58.100 0.020 0.000 1.365 209 Y CB 0.556 39.034 38.460 0.030 0.000 1.289 209 Y HN 0.430 nan 8.280 nan 0.000 0.548 210 L N 1.413 122.731 121.223 0.158 0.000 2.375 210 L HA -0.034 4.304 4.340 -0.003 0.000 0.215 210 L C 2.055 178.919 176.870 -0.011 0.000 1.108 210 L CA 1.738 56.581 54.840 0.004 0.000 0.830 210 L CB -1.095 40.918 42.059 -0.077 0.000 0.959 210 L HN 0.879 nan 8.230 nan 0.000 0.457 211 T N -4.151 110.462 114.554 0.098 0.000 2.897 211 T HA -0.173 4.176 4.350 -0.003 0.000 0.271 211 T C 1.459 176.231 174.700 0.120 0.000 1.084 211 T CA 1.470 63.647 62.100 0.128 0.000 1.123 211 T CB -0.540 68.415 68.868 0.145 0.000 0.865 211 T HN 0.292 nan 8.240 nan 0.000 0.496 212 D N 0.848 121.320 120.400 0.121 0.000 2.277 212 D HA 0.066 4.705 4.640 -0.003 0.000 0.208 212 D C 2.190 178.525 176.300 0.058 0.000 0.962 212 D CA 0.256 54.312 54.000 0.093 0.000 0.865 212 D CB -0.271 40.576 40.800 0.078 0.000 0.939 212 D HN 0.317 nan 8.370 nan 0.000 0.510 213 V N 1.461 121.396 119.914 0.035 0.000 2.546 213 V HA -0.234 3.884 4.120 -0.003 0.000 0.254 213 V C 2.245 178.399 176.094 0.100 0.000 1.076 213 V CA 0.957 63.276 62.300 0.032 0.000 1.087 213 V CB -0.275 31.527 31.823 -0.034 0.000 0.674 213 V HN 0.218 nan 8.190 nan 0.000 0.470 214 I N 0.524 121.165 120.570 0.118 0.000 2.286 214 I HA -0.103 4.066 4.170 -0.003 0.000 0.245 214 I C 2.622 178.799 176.117 0.100 0.000 1.104 214 I CA 1.782 63.163 61.300 0.135 0.000 1.397 214 I CB -1.638 36.451 38.000 0.148 0.000 1.072 214 I HN 0.314 nan 8.210 nan 0.000 0.417 215 A N 0.756 123.627 122.820 0.084 0.000 1.968 215 A HA -0.062 4.257 4.320 -0.003 0.000 0.217 215 A C 2.344 179.959 177.584 0.053 0.000 1.169 215 A CA 0.900 52.976 52.037 0.065 0.000 0.638 215 A CB -0.604 18.433 19.000 0.062 0.000 0.812 215 A HN 0.358 nan 8.150 nan 0.000 0.446 216 I N -0.483 120.117 120.570 0.050 0.000 2.315 216 I HA -0.213 3.956 4.170 -0.003 0.000 0.248 216 I C 2.105 178.247 176.117 0.042 0.000 1.117 216 I CA 1.011 62.333 61.300 0.037 0.000 1.404 216 I CB -0.194 37.821 38.000 0.023 0.000 1.071 216 I HN 0.261 nan 8.210 nan 0.000 0.419 217 L N -0.352 120.907 121.223 0.061 0.000 2.270 217 L HA -0.020 4.318 4.340 -0.003 0.000 0.210 217 L C 2.662 179.567 176.870 0.058 0.000 1.104 217 L CA 0.351 55.232 54.840 0.067 0.000 0.804 217 L CB -0.449 41.673 42.059 0.104 0.000 0.937 217 L HN 0.136 nan 8.230 nan 0.000 0.450 218 R N 0.157 120.691 120.500 0.058 0.000 2.073 218 R HA -0.095 4.243 4.340 -0.003 0.000 0.234 218 R C 2.429 178.750 176.300 0.035 0.000 1.134 218 R CA 1.578 57.706 56.100 0.046 0.000 0.952 218 R CB -0.631 29.698 30.300 0.048 0.000 0.850 218 R HN 0.293 nan 8.270 nan 0.000 0.433 219 S N 1.489 117.208 115.700 0.032 0.000 2.380 219 S HA -0.161 4.307 4.470 -0.003 0.000 0.229 219 S C 0.992 175.605 174.600 0.022 0.000 1.043 219 S CA 1.675 59.890 58.200 0.024 0.000 1.038 219 S CB -0.271 62.942 63.200 0.022 0.000 0.872 219 S HN 0.308 nan 8.310 nan 0.000 0.456 220 D N 0.776 121.191 120.400 0.025 0.000 2.338 220 D HA 0.257 4.896 4.640 -0.003 0.000 0.239 220 D C 1.204 177.517 176.300 0.022 0.000 1.095 220 D CA 0.501 54.514 54.000 0.022 0.000 0.888 220 D CB -0.722 40.093 40.800 0.025 0.000 0.899 220 D HN 0.445 nan 8.370 nan 0.000 0.525 221 G N 1.244 110.057 108.800 0.022 0.000 2.356 221 G HA2 -0.301 3.658 3.960 -0.003 0.000 0.296 221 G HA3 -0.301 3.658 3.960 -0.003 0.000 0.296 221 G C 0.187 175.100 174.900 0.021 0.000 1.022 221 G CA 0.078 45.189 45.100 0.019 0.000 0.961 221 G HN 0.200 nan 8.290 nan 0.000 0.510 222 Q N -0.333 119.486 119.800 0.032 0.000 2.205 222 Q HA 0.437 4.776 4.340 -0.003 0.000 0.249 222 Q C 0.449 176.470 176.000 0.035 0.000 0.948 222 Q CA -0.237 55.588 55.803 0.037 0.000 0.895 222 Q CB 1.164 29.936 28.738 0.056 0.000 1.249 222 Q HN 0.264 nan 8.270 nan 0.000 0.458 223 T N 1.140 115.711 114.554 0.027 0.000 2.779 223 T HA 0.221 4.569 4.350 -0.003 0.000 0.296 223 T C 0.001 174.733 174.700 0.053 0.000 0.938 223 T CA -0.262 61.849 62.100 0.018 0.000 1.119 223 T CB 0.221 69.082 68.868 -0.012 0.000 0.891 223 T HN 0.195 nan 8.240 nan 0.000 0.526 224 V N 5.464 125.413 119.914 0.058 0.000 2.294 224 V HA 0.226 4.344 4.120 -0.003 0.000 0.272 224 V C 0.179 176.348 176.094 0.124 0.000 1.027 224 V CA -0.790 61.569 62.300 0.098 0.000 0.823 224 V CB 0.294 32.173 31.823 0.093 0.000 1.030 224 V HN 0.789 nan 8.190 nan 0.000 0.457 225 H N 3.397 122.490 119.070 0.039 0.000 2.499 225 H HA 0.834 5.388 4.556 -0.003 0.000 0.352 225 H C -0.130 175.218 175.328 0.033 0.000 1.237 225 H CA -0.560 55.508 56.048 0.032 0.000 1.343 225 H CB 2.046 31.825 29.762 0.028 0.000 1.578 225 H HN 0.666 nan 8.280 nan 0.000 0.577 226 A N 2.168 125.152 122.820 0.273 0.000 2.611 226 A HA 0.278 4.597 4.320 -0.003 0.000 0.282 226 A C -0.657 176.874 177.584 -0.089 0.000 1.114 226 A CA -0.407 51.653 52.037 0.037 0.000 0.800 226 A CB 0.548 19.608 19.000 0.100 0.000 1.325 226 A HN 0.566 nan 8.150 nan 0.000 0.411 227 S N 1.699 117.294 115.700 -0.174 0.000 2.465 227 S HA 0.275 4.744 4.470 -0.003 0.000 0.280 227 S C 0.030 174.616 174.600 -0.025 0.000 1.232 227 S CA 0.113 58.236 58.200 -0.128 0.000 1.066 227 S CB -0.306 62.804 63.200 -0.150 0.000 0.929 227 S HN 0.844 nan 8.310 nan 0.000 0.494 228 H N 3.701 122.729 119.070 -0.070 0.000 2.489 228 H HA 0.534 5.088 4.556 -0.003 0.000 0.322 228 H C -0.804 174.495 175.328 -0.049 0.000 1.091 228 H CA -0.531 55.488 56.048 -0.049 0.000 1.291 228 H CB 0.920 30.666 29.762 -0.027 0.000 1.436 228 H HN 0.377 nan 8.280 nan 0.000 0.480 229 V N 6.622 126.201 119.914 -0.558 0.000 2.328 229 V HA 0.047 4.165 4.120 -0.003 0.000 0.278 229 V C 0.604 176.357 176.094 -0.568 0.000 1.021 229 V CA -0.519 61.534 62.300 -0.412 0.000 0.838 229 V CB 1.298 32.972 31.823 -0.248 0.000 0.999 229 V HN 0.952 nan 8.190 nan 0.000 0.447 230 D N 2.009 122.225 120.400 -0.306 0.000 2.084 230 D HA -0.109 4.529 4.640 -0.003 0.000 0.194 230 D C 0.908 177.139 176.300 -0.114 0.000 0.990 230 D CA 1.307 55.222 54.000 -0.142 0.000 0.826 230 D CB 0.174 40.960 40.800 -0.022 0.000 0.971 230 D HN 0.596 nan 8.370 nan 0.000 0.453 231 D N 0.625 120.964 120.400 -0.102 0.000 2.357 231 D HA 0.039 4.677 4.640 -0.003 0.000 0.265 231 D C 0.739 176.981 176.300 -0.096 0.000 1.334 231 D CA 0.127 54.079 54.000 -0.080 0.000 0.984 231 D CB 0.605 41.365 40.800 -0.067 0.000 1.077 231 D HN -0.202 nan 8.370 nan 0.000 0.514 232 S N 2.237 117.887 115.700 -0.082 0.000 2.419 232 S HA -0.144 4.324 4.470 -0.003 0.000 0.233 232 S C 1.876 176.436 174.600 -0.066 0.000 1.016 232 S CA 0.986 59.139 58.200 -0.079 0.000 0.974 232 S CB 0.147 63.316 63.200 -0.053 0.000 0.786 232 S HN 0.655 nan 8.310 nan 0.000 0.492 233 A N 1.209 123.995 122.820 -0.056 0.000 2.014 233 A HA 0.138 4.456 4.320 -0.003 0.000 0.218 233 A C 1.914 179.464 177.584 -0.057 0.000 1.163 233 A CA 0.611 52.618 52.037 -0.050 0.000 0.652 233 A CB -0.545 18.429 19.000 -0.043 0.000 0.808 233 A HN 0.471 nan 8.150 nan 0.000 0.449 234 L N -0.244 120.940 121.223 -0.064 0.000 2.189 234 L HA -0.155 4.183 4.340 -0.003 0.000 0.214 234 L C 1.756 178.586 176.870 -0.066 0.000 1.097 234 L CA 1.511 56.312 54.840 -0.066 0.000 0.764 234 L CB -0.430 41.587 42.059 -0.070 0.000 0.900 234 L HN 0.466 nan 8.230 nan 0.000 0.436 235 V N -4.386 115.485 119.914 -0.071 0.000 3.159 235 V HA 0.505 4.623 4.120 -0.003 0.000 0.333 235 V C 0.731 176.790 176.094 -0.058 0.000 1.424 235 V CA -0.436 61.822 62.300 -0.071 0.000 1.125 235 V CB -0.211 31.556 31.823 -0.093 0.000 1.075 235 V HN 0.116 nan 8.190 nan 0.000 0.482 236 A N 0.871 123.661 122.820 -0.050 0.000 2.409 236 A HA 0.749 5.067 4.320 -0.003 0.000 0.262 236 A C 0.731 178.297 177.584 -0.030 0.000 1.113 236 A CA 0.571 52.585 52.037 -0.038 0.000 0.790 236 A CB 0.150 19.130 19.000 -0.033 0.000 1.046 236 A HN 0.916 nan 8.150 nan 0.000 0.496 237 G N -0.066 108.719 108.800 -0.025 0.000 2.491 237 G HA2 0.539 4.497 3.960 -0.003 0.000 0.327 237 G HA3 0.539 4.497 3.960 -0.003 0.000 0.327 237 G C -1.008 173.884 174.900 -0.013 0.000 1.189 237 G CA -0.467 44.623 45.100 -0.016 0.000 0.956 237 G HN 0.832 nan 8.290 nan 0.000 0.491 238 V N 0.890 120.799 119.914 -0.009 0.000 2.376 238 V HA 0.274 4.393 4.120 -0.003 0.000 0.287 238 V C 0.299 176.379 176.094 -0.025 0.000 1.015 238 V CA -0.583 61.708 62.300 -0.014 0.000 0.834 238 V CB 1.149 32.968 31.823 -0.008 0.000 1.001 238 V HN 0.912 nan 8.190 nan 0.000 0.428 239 N N 3.077 121.760 118.700 -0.029 0.000 2.348 239 N HA 0.104 4.842 4.740 -0.003 0.000 0.183 239 N C 0.142 175.621 175.510 -0.051 0.000 1.094 239 N CA 0.074 53.102 53.050 -0.036 0.000 0.885 239 N CB 0.564 39.035 38.487 -0.025 0.000 1.065 239 N HN 0.827 nan 8.380 nan 0.000 0.472 240 N N -0.906 117.765 118.700 -0.048 0.000 2.774 240 N HA 0.251 4.989 4.740 -0.003 0.000 0.264 240 N C -0.202 175.278 175.510 -0.050 0.000 1.415 240 N CA -0.758 52.260 53.050 -0.054 0.000 0.815 240 N CB 0.879 39.346 38.487 -0.034 0.000 1.514 240 N HN -0.285 nan 8.380 nan 0.000 0.523 241 R N -0.595 119.879 120.500 -0.044 0.000 2.237 241 R HA 0.063 4.401 4.340 -0.003 0.000 0.219 241 R C 1.109 177.407 176.300 -0.002 0.000 1.080 241 R CA 0.756 56.844 56.100 -0.021 0.000 0.995 241 R CB -0.445 29.851 30.300 -0.007 0.000 0.875 241 R HN 0.401 nan 8.270 nan 0.000 0.462 242 V N 0.833 120.745 119.914 -0.003 0.000 2.379 242 V HA -0.232 3.886 4.120 -0.003 0.000 0.245 242 V C 2.089 178.189 176.094 0.010 0.000 1.044 242 V CA 1.676 63.980 62.300 0.006 0.000 1.036 242 V CB -0.355 31.470 31.823 0.004 0.000 0.664 242 V HN 0.335 nan 8.190 nan 0.000 0.453 243 Q N -0.709 119.092 119.800 0.001 0.000 2.172 243 Q HA -0.136 4.202 4.340 -0.003 0.000 0.200 243 Q C 2.220 178.227 176.000 0.012 0.000 0.964 243 Q CA 1.227 57.032 55.803 0.004 0.000 0.855 243 Q CB -0.257 28.477 28.738 -0.006 0.000 0.918 243 Q HN 0.515 nan 8.270 nan 0.000 0.444 244 L N 1.058 122.286 121.223 0.009 0.000 1.971 244 L HA -0.228 4.111 4.340 -0.003 0.000 0.215 244 L C 2.206 179.105 176.870 0.047 0.000 1.072 244 L CA 2.368 57.223 54.840 0.026 0.000 0.758 244 L CB -0.913 41.160 42.059 0.024 0.000 0.889 244 L HN 0.157 nan 8.230 nan 0.000 0.433 245 A N -1.183 121.665 122.820 0.046 0.000 1.978 245 A HA -0.258 4.061 4.320 -0.003 0.000 0.220 245 A C 2.160 179.804 177.584 0.101 0.000 1.170 245 A CA 1.945 54.024 52.037 0.069 0.000 0.636 245 A CB -0.686 18.345 19.000 0.051 0.000 0.810 245 A HN 0.669 nan 8.150 nan 0.000 0.448 246 E N -0.324 119.916 120.200 0.066 0.000 2.031 246 E HA -0.125 4.223 4.350 -0.003 0.000 0.193 246 E C 1.930 178.564 176.600 0.057 0.000 0.994 246 E CA 1.205 57.639 56.400 0.057 0.000 0.800 246 E CB -0.238 29.480 29.700 0.030 0.000 0.752 246 E HN 0.604 nan 8.360 nan 0.000 0.447 247 L N 0.321 121.570 121.223 0.044 0.000 2.217 247 L HA -0.092 4.247 4.340 -0.003 0.000 0.211 247 L C 2.507 179.411 176.870 0.056 0.000 1.107 247 L CA 0.605 55.461 54.840 0.027 0.000 0.783 247 L CB -0.449 41.612 42.059 0.003 0.000 0.919 247 L HN 0.165 nan 8.230 nan 0.000 0.442 248 A N -0.554 122.334 122.820 0.114 0.000 1.877 248 A HA -0.242 4.076 4.320 -0.003 0.000 0.216 248 A C 2.565 180.328 177.584 0.299 0.000 1.186 248 A CA 2.097 54.266 52.037 0.219 0.000 0.620 248 A CB -0.678 18.464 19.000 0.237 0.000 0.822 248 A HN 0.349 nan 8.150 nan 0.000 0.443 249 S N -0.758 115.099 115.700 0.261 0.000 2.368 249 S HA -0.212 4.256 4.470 -0.003 0.000 0.225 249 S C 2.072 176.663 174.600 -0.016 0.000 1.030 249 S CA 1.928 60.203 58.200 0.126 0.000 0.999 249 S CB -0.290 62.986 63.200 0.128 0.000 0.844 249 S HN 0.624 nan 8.310 nan 0.000 0.459 250 E N 0.712 120.915 120.200 0.006 0.000 2.072 250 E HA -0.047 4.301 4.350 -0.003 0.000 0.190 250 E C 1.918 178.493 176.600 -0.043 0.000 0.982 250 E CA 0.970 57.353 56.400 -0.029 0.000 0.803 250 E CB -0.603 29.084 29.700 -0.022 0.000 0.755 250 E HN 0.442 nan 8.360 nan 0.000 0.453 251 L N 1.103 122.310 121.223 -0.025 0.000 2.083 251 L HA -0.122 4.216 4.340 -0.003 0.000 0.209 251 L C 1.899 178.747 176.870 -0.037 0.000 1.083 251 L CA 2.185 57.004 54.840 -0.035 0.000 0.752 251 L CB -1.089 40.948 42.059 -0.037 0.000 0.899 251 L HN 0.198 nan 8.230 nan 0.000 0.433 252 N N -0.365 118.302 118.700 -0.054 0.000 2.120 252 N HA -0.192 4.547 4.740 -0.003 0.000 0.188 252 N C 1.999 177.407 175.510 -0.170 0.000 1.024 252 N CA 1.423 54.387 53.050 -0.143 0.000 0.852 252 N CB -0.074 38.172 38.487 -0.402 0.000 1.003 252 N HN 0.314 nan 8.380 nan 0.000 0.424 253 R N -0.145 120.256 120.500 -0.164 0.000 2.105 253 R HA -0.027 4.311 4.340 -0.003 0.000 0.239 253 R C 2.123 178.371 176.300 -0.085 0.000 1.135 253 R CA 1.368 57.391 56.100 -0.129 0.000 0.967 253 R CB -0.137 30.100 30.300 -0.104 0.000 0.861 253 R HN 0.329 nan 8.270 nan 0.000 0.442 254 R N -0.201 120.256 120.500 -0.071 0.000 2.119 254 R HA -0.010 4.328 4.340 -0.003 0.000 0.222 254 R C 2.211 178.476 176.300 -0.058 0.000 1.088 254 R CA 0.843 56.907 56.100 -0.060 0.000 0.984 254 R CB -0.044 30.222 30.300 -0.057 0.000 0.884 254 R HN 0.061 nan 8.270 nan 0.000 0.447 255 V N 0.431 120.320 119.914 -0.042 0.000 2.379 255 V HA -0.172 3.946 4.120 -0.003 0.000 0.245 255 V C 2.326 178.448 176.094 0.047 0.000 1.044 255 V CA 1.305 63.594 62.300 -0.017 0.000 1.036 255 V CB -0.200 31.650 31.823 0.045 0.000 0.664 255 V HN 0.066 nan 8.190 nan 0.000 0.453 256 V N 0.641 120.576 119.914 0.035 0.000 2.233 256 V HA -0.313 3.805 4.120 -0.003 0.000 0.247 256 V C 2.775 178.885 176.094 0.027 0.000 1.050 256 V CA 2.332 64.659 62.300 0.045 0.000 1.010 256 V CB -1.238 30.553 31.823 -0.054 0.000 0.637 256 V HN 0.560 nan 8.190 nan 0.000 0.444 257 A N -0.199 122.607 122.820 -0.024 0.000 1.940 257 A HA -0.161 4.158 4.320 -0.003 0.000 0.219 257 A C 2.393 179.953 177.584 -0.040 0.000 1.176 257 A CA 2.238 54.256 52.037 -0.032 0.000 0.631 257 A CB -0.785 18.189 19.000 -0.044 0.000 0.814 257 A HN 0.627 nan 8.150 nan 0.000 0.446 258 A N -1.222 121.553 122.820 -0.075 0.000 1.933 258 A HA -0.177 4.142 4.320 -0.003 0.000 0.218 258 A C 2.058 179.558 177.584 -0.141 0.000 1.175 258 A CA 1.560 53.518 52.037 -0.132 0.000 0.628 258 A CB -0.821 18.057 19.000 -0.202 0.000 0.814 258 A HN 0.678 nan 8.150 nan 0.000 0.444 259 H N -0.448 118.600 119.070 -0.036 0.000 2.333 259 H HA -0.070 4.484 4.556 -0.003 0.000 0.302 259 H C 2.228 177.533 175.328 -0.038 0.000 1.075 259 H CA 1.706 57.733 56.048 -0.035 0.000 1.348 259 H CB -0.348 29.392 29.762 -0.037 0.000 1.393 259 H HN 0.664 nan 8.280 nan 0.000 0.509 260 Q N 0.379 120.224 119.800 0.074 0.000 2.135 260 Q HA -0.117 4.221 4.340 -0.003 0.000 0.204 260 Q C 2.451 178.454 176.000 0.004 0.000 0.981 260 Q CA 1.021 56.836 55.803 0.021 0.000 0.856 260 Q CB -0.043 28.693 28.738 -0.003 0.000 0.902 260 Q HN 0.386 nan 8.270 nan 0.000 0.425 261 L N -0.351 120.868 121.223 -0.007 0.000 2.376 261 L HA -0.039 4.299 4.340 -0.003 0.000 0.219 261 L C 2.030 178.892 176.870 -0.013 0.000 1.133 261 L CA 0.394 55.224 54.840 -0.016 0.000 0.816 261 L CB -0.227 41.816 42.059 -0.027 0.000 0.933 261 L HN 0.161 nan 8.230 nan 0.000 0.449 262 A N -0.480 122.336 122.820 -0.006 0.000 2.251 262 A HA 0.344 4.663 4.320 -0.003 0.000 0.209 262 A C 1.511 179.101 177.584 0.010 0.000 1.187 262 A CA 0.716 52.754 52.037 0.001 0.000 0.823 262 A CB -0.157 18.846 19.000 0.004 0.000 0.846 262 A HN 0.462 nan 8.150 nan 0.000 0.486 263 G N -1.471 107.334 108.800 0.008 0.000 2.181 263 G HA2 -0.072 3.886 3.960 -0.003 0.000 0.152 263 G HA3 -0.072 3.886 3.960 -0.003 0.000 0.152 263 G C -0.242 174.657 174.900 -0.001 0.000 1.026 263 G CA -0.121 44.980 45.100 0.002 0.000 0.699 263 G HN 0.763 nan 8.290 nan 0.000 0.497 264 V N 1.231 121.149 119.914 0.005 0.000 2.384 264 V HA 0.568 4.687 4.120 -0.003 0.000 0.287 264 V C 0.720 176.793 176.094 -0.034 0.000 1.020 264 V CA -0.350 61.941 62.300 -0.015 0.000 0.850 264 V CB 1.650 33.470 31.823 -0.005 0.000 0.987 264 V HN 0.304 nan 8.190 nan 0.000 0.436 265 T N 4.965 119.483 114.554 -0.060 0.000 2.779 265 T HA 0.332 4.680 4.350 -0.003 0.000 0.296 265 T C -0.045 174.591 174.700 -0.106 0.000 0.938 265 T CA -0.014 62.039 62.100 -0.079 0.000 1.119 265 T CB 0.772 69.585 68.868 -0.093 0.000 0.891 265 T HN 0.381 nan 8.240 nan 0.000 0.526 266 V N 5.888 125.749 119.914 -0.088 0.000 2.293 266 V HA 0.124 4.242 4.120 -0.003 0.000 0.275 266 V C 1.304 177.344 176.094 -0.089 0.000 1.021 266 V CA -0.417 61.826 62.300 -0.095 0.000 0.815 266 V CB 1.214 32.993 31.823 -0.074 0.000 1.025 266 V HN 0.807 nan 8.190 nan 0.000 0.448 267 V N 2.380 122.229 119.914 -0.108 0.000 2.343 267 V HA -0.096 4.022 4.120 -0.003 0.000 0.247 267 V C 0.975 177.046 176.094 -0.038 0.000 1.051 267 V CA 1.934 64.192 62.300 -0.070 0.000 1.036 267 V CB -0.133 31.660 31.823 -0.050 0.000 0.654 267 V HN 0.946 nan 8.190 nan 0.000 0.451 268 D N -1.297 119.080 120.400 -0.037 0.000 2.378 268 D HA 0.284 4.922 4.640 -0.003 0.000 0.265 268 D C -2.055 174.207 176.300 -0.063 0.000 1.229 268 D CA -2.127 51.853 54.000 -0.033 0.000 0.914 268 D CB 1.682 42.478 40.800 -0.007 0.000 1.140 268 D HN 0.059 nan 8.370 nan 0.000 0.516 269 P HA -0.077 nan 4.420 nan 0.000 0.221 269 P C 1.044 178.241 177.300 -0.172 0.000 1.145 269 P CA 0.839 63.867 63.100 -0.119 0.000 0.795 269 P CB 0.334 31.973 31.700 -0.101 0.000 0.775 270 A N -0.636 122.109 122.820 -0.125 0.000 2.014 270 A HA -0.065 4.253 4.320 -0.003 0.000 0.218 270 A C 1.600 179.097 177.584 -0.145 0.000 1.163 270 A CA 1.816 53.769 52.037 -0.140 0.000 0.652 270 A CB -1.344 17.621 19.000 -0.059 0.000 0.808 270 A HN 0.321 nan 8.150 nan 0.000 0.449 271 T N -2.669 111.835 114.554 -0.083 0.000 3.313 271 T HA 0.430 4.779 4.350 -0.003 0.000 0.263 271 T C -0.294 174.396 174.700 -0.017 0.000 0.983 271 T CA -0.180 61.925 62.100 0.009 0.000 0.963 271 T CB -0.153 68.760 68.868 0.076 0.000 1.141 271 T HN -0.001 nan 8.240 nan 0.000 0.526 272 T N 1.905 116.346 114.554 -0.189 0.000 2.985 272 T HA 0.343 4.691 4.350 -0.003 0.000 0.315 272 T C -1.172 173.364 174.700 -0.274 0.000 1.001 272 T CA -0.599 61.430 62.100 -0.118 0.000 1.016 272 T CB 0.349 69.154 68.868 -0.104 0.000 0.993 272 T HN 0.473 nan 8.240 nan 0.000 0.454 273 W N 4.053 125.355 121.300 0.005 0.000 2.342 273 W HA 0.591 5.249 4.660 -0.003 0.000 0.310 273 W C -0.114 176.406 176.519 0.003 0.000 1.128 273 W CA -0.821 56.530 57.345 0.010 0.000 1.322 273 W CB 0.281 29.750 29.460 0.014 0.000 1.251 273 W HN 0.447 nan 8.180 nan 0.000 0.439 274 I N 4.290 124.933 120.570 0.122 0.000 2.382 274 I HA 0.153 4.322 4.170 -0.003 0.000 0.286 274 I C -0.030 176.167 176.117 0.133 0.000 1.002 274 I CA -0.963 60.392 61.300 0.092 0.000 1.135 274 I CB 0.938 38.958 38.000 0.033 0.000 1.288 274 I HN 0.183 nan 8.210 nan 0.000 0.448 275 D N 4.580 125.053 120.400 0.122 0.000 2.368 275 D HA 0.181 4.819 4.640 -0.003 0.000 0.240 275 D C 0.001 176.362 176.300 0.103 0.000 1.169 275 D CA -0.075 53.993 54.000 0.114 0.000 0.906 275 D CB 1.291 42.137 40.800 0.077 0.000 1.187 275 D HN 0.267 nan 8.370 nan 0.000 0.435 276 V N -0.739 119.229 119.914 0.089 0.000 2.924 276 V HA 0.286 4.404 4.120 -0.003 0.000 0.305 276 V C 0.570 176.686 176.094 0.036 0.000 1.073 276 V CA -0.436 61.902 62.300 0.064 0.000 1.098 276 V CB 1.157 33.012 31.823 0.053 0.000 1.000 276 V HN 0.620 nan 8.190 nan 0.000 0.484 277 D N -0.180 120.242 120.400 0.036 0.000 2.476 277 D HA -0.180 4.458 4.640 -0.003 0.000 0.227 277 D C 0.388 176.720 176.300 0.052 0.000 1.160 277 D CA 1.342 55.359 54.000 0.027 0.000 1.763 277 D CB -1.234 39.568 40.800 0.003 0.000 1.373 277 D HN 0.705 nan 8.370 nan 0.000 0.624 278 V N 2.620 122.573 119.914 0.064 0.000 2.681 278 V HA 0.193 4.311 4.120 -0.003 0.000 0.306 278 V C 1.080 177.239 176.094 0.109 0.000 1.077 278 V CA 1.504 63.838 62.300 0.058 0.000 1.224 278 V CB 0.521 32.366 31.823 0.037 0.000 0.879 278 V HN 0.459 nan 8.190 nan 0.000 0.494 279 T N 4.241 118.835 114.554 0.067 0.000 2.856 279 T HA 0.843 5.191 4.350 -0.003 0.000 0.283 279 T C -0.785 173.929 174.700 0.023 0.000 1.008 279 T CA -0.720 61.441 62.100 0.102 0.000 0.997 279 T CB 1.741 70.647 68.868 0.064 0.000 0.992 279 T HN 0.373 nan 8.240 nan 0.000 0.454 280 I N 0.913 121.502 120.570 0.032 0.000 2.802 280 I HA 0.675 4.843 4.170 -0.003 0.000 0.298 280 I C 0.558 176.683 176.117 0.012 0.000 1.176 280 I CA -1.186 60.085 61.300 -0.048 0.000 1.025 280 I CB 2.577 40.456 38.000 -0.201 0.000 1.243 280 I HN 0.944 nan 8.210 nan 0.000 0.424 281 G N 2.201 110.997 108.800 -0.007 0.000 2.820 281 G HA2 0.508 4.466 3.960 -0.003 0.000 0.291 281 G HA3 0.508 4.466 3.960 -0.003 0.000 0.291 281 G C -0.883 174.017 174.900 -0.000 0.000 1.323 281 G CA -0.830 44.273 45.100 0.006 0.000 1.055 281 G HN 0.629 nan 8.290 nan 0.000 0.520 282 R N -0.184 120.317 120.500 0.001 0.000 2.585 282 R HA 0.083 4.421 4.340 -0.003 0.000 0.275 282 R C -0.179 176.115 176.300 -0.011 0.000 1.018 282 R CA 0.760 56.858 56.100 -0.002 0.000 1.072 282 R CB 0.041 30.339 30.300 -0.002 0.000 0.953 282 R HN 0.576 nan 8.270 nan 0.000 0.419 283 D N 0.525 120.916 120.400 -0.014 0.000 3.046 283 D HA -0.178 4.460 4.640 -0.003 0.000 0.210 283 D C -0.010 176.273 176.300 -0.029 0.000 1.124 283 D CA 1.930 55.918 54.000 -0.020 0.000 0.986 283 D CB -1.083 39.708 40.800 -0.015 0.000 1.118 283 D HN 0.798 nan 8.370 nan 0.000 0.416 284 T N -1.964 112.569 114.554 -0.034 0.000 2.918 284 T HA 0.431 4.779 4.350 -0.003 0.000 0.302 284 T C 0.364 175.021 174.700 -0.071 0.000 1.045 284 T CA -0.533 61.539 62.100 -0.046 0.000 1.114 284 T CB 1.818 70.658 68.868 -0.047 0.000 0.965 284 T HN -0.062 nan 8.240 nan 0.000 0.540 285 V N 4.517 124.377 119.914 -0.090 0.000 2.448 285 V HA 0.454 4.572 4.120 -0.003 0.000 0.295 285 V C -0.149 175.822 176.094 -0.204 0.000 1.025 285 V CA -1.033 61.166 62.300 -0.170 0.000 0.859 285 V CB 1.400 33.100 31.823 -0.205 0.000 0.988 285 V HN 0.807 nan 8.190 nan 0.000 0.431 286 I N 4.098 124.530 120.570 -0.231 0.000 2.355 286 I HA 0.479 4.647 4.170 -0.003 0.000 0.288 286 I C -0.063 175.934 176.117 -0.200 0.000 0.999 286 I CA -0.325 60.880 61.300 -0.159 0.000 1.163 286 I CB 1.061 38.997 38.000 -0.106 0.000 1.316 286 I HN 0.658 nan 8.210 nan 0.000 0.454 287 H N 6.108 125.160 119.070 -0.030 0.000 2.508 287 H HA 0.413 4.967 4.556 -0.003 0.000 0.344 287 H C -2.199 173.119 175.328 -0.015 0.000 1.192 287 H CA -1.215 54.819 56.048 -0.023 0.000 1.290 287 H CB 1.305 31.052 29.762 -0.026 0.000 1.571 287 H HN 0.338 nan 8.280 nan 0.000 0.555 288 P HA 0.069 nan 4.420 nan 0.000 0.270 288 P C 0.356 177.700 177.300 0.073 0.000 1.223 288 P CA 0.776 63.920 63.100 0.073 0.000 0.785 288 P CB 0.558 32.297 31.700 0.065 0.000 0.923 289 G N 0.078 108.924 108.800 0.077 0.000 2.143 289 G HA2 -0.194 3.765 3.960 -0.003 0.000 0.248 289 G HA3 -0.194 3.765 3.960 -0.003 0.000 0.248 289 G C 0.029 174.993 174.900 0.106 0.000 0.991 289 G CA 0.021 45.180 45.100 0.098 0.000 0.689 289 G HN 0.604 nan 8.290 nan 0.000 0.522 290 T N 0.840 115.452 114.554 0.096 0.000 2.767 290 T HA 0.577 4.925 4.350 -0.003 0.000 0.288 290 T C 0.028 174.804 174.700 0.127 0.000 0.963 290 T CA -0.138 62.013 62.100 0.085 0.000 1.019 290 T CB 1.520 70.416 68.868 0.046 0.000 0.923 290 T HN 0.355 nan 8.240 nan 0.000 0.468 291 Q N 2.454 122.330 119.800 0.128 0.000 2.307 291 Q HA 0.606 4.944 4.340 -0.003 0.000 0.262 291 Q C -0.846 175.197 176.000 0.071 0.000 0.961 291 Q CA -0.350 55.542 55.803 0.148 0.000 0.882 291 Q CB 1.737 30.556 28.738 0.135 0.000 1.264 291 Q HN 0.548 nan 8.270 nan 0.000 0.446 292 L N 4.113 125.375 121.223 0.064 0.000 2.319 292 L HA 0.593 4.931 4.340 -0.003 0.000 0.281 292 L C -0.906 175.984 176.870 0.033 0.000 1.005 292 L CA -0.431 54.420 54.840 0.018 0.000 0.828 292 L CB 0.687 42.736 42.059 -0.018 0.000 1.227 292 L HN 0.433 nan 8.230 nan 0.000 0.415 293 L N 1.847 123.080 121.223 0.016 0.000 2.309 293 L HA 0.832 5.170 4.340 -0.003 0.000 0.261 293 L C 0.899 177.773 176.870 0.007 0.000 1.021 293 L CA -0.495 54.359 54.840 0.022 0.000 0.823 293 L CB 1.918 43.984 42.059 0.011 0.000 1.366 293 L HN 0.773 nan 8.230 nan 0.000 0.423 294 G N 1.100 109.906 108.800 0.008 0.000 2.556 294 G HA2 -0.312 3.646 3.960 -0.003 0.000 0.283 294 G HA3 -0.312 3.646 3.960 -0.003 0.000 0.283 294 G C 0.269 175.169 174.900 -0.000 0.000 1.177 294 G CA 0.193 45.292 45.100 -0.002 0.000 0.978 294 G HN 0.652 nan 8.290 nan 0.000 0.554 295 R N 0.840 121.337 120.500 -0.005 0.000 2.791 295 R HA 0.386 4.725 4.340 -0.003 0.000 0.357 295 R C 0.252 176.548 176.300 -0.006 0.000 1.173 295 R CA 0.175 56.273 56.100 -0.003 0.000 1.060 295 R CB 0.297 30.594 30.300 -0.005 0.000 1.406 295 R HN 0.435 nan 8.270 nan 0.000 0.580 296 T N 1.755 116.304 114.554 -0.008 0.000 2.932 296 T HA 0.041 4.389 4.350 -0.003 0.000 0.312 296 T C 0.142 174.832 174.700 -0.016 0.000 1.071 296 T CA 0.507 62.597 62.100 -0.017 0.000 1.128 296 T CB 0.749 69.605 68.868 -0.021 0.000 0.984 296 T HN 0.252 nan 8.240 nan 0.000 0.549 297 Q N 1.975 121.762 119.800 -0.021 0.000 2.347 297 Q HA 0.542 4.881 4.340 -0.003 0.000 0.271 297 Q C -1.083 174.899 176.000 -0.029 0.000 1.064 297 Q CA -0.942 54.849 55.803 -0.020 0.000 0.800 297 Q CB 2.015 30.745 28.738 -0.013 0.000 1.304 297 Q HN 0.388 nan 8.270 nan 0.000 0.438 298 I N 1.640 122.189 120.570 -0.036 0.000 2.433 298 I HA 0.447 4.615 4.170 -0.003 0.000 0.292 298 I C 0.833 176.932 176.117 -0.030 0.000 1.001 298 I CA -0.288 60.988 61.300 -0.040 0.000 1.119 298 I CB 1.006 38.970 38.000 -0.060 0.000 1.289 298 I HN 0.773 nan 8.210 nan 0.000 0.438 299 G N 3.946 112.731 108.800 -0.026 0.000 2.485 299 G HA2 0.535 4.493 3.960 -0.003 0.000 0.260 299 G HA3 0.535 4.493 3.960 -0.003 0.000 0.260 299 G C 0.159 175.047 174.900 -0.020 0.000 1.459 299 G CA -0.237 44.851 45.100 -0.020 0.000 1.060 299 G HN 0.752 nan 8.290 nan 0.000 0.546 300 G N -2.870 105.921 108.800 -0.016 0.000 2.488 300 G HA2 0.477 4.435 3.960 -0.003 0.000 0.318 300 G HA3 0.477 4.435 3.960 -0.003 0.000 0.318 300 G C 0.331 175.221 174.900 -0.016 0.000 1.188 300 G CA -0.592 44.498 45.100 -0.015 0.000 0.944 300 G HN 0.670 nan 8.290 nan 0.000 0.495 301 R N -2.123 118.367 120.500 -0.017 0.000 3.847 301 R HA -0.200 4.138 4.340 -0.003 0.000 0.304 301 R C 0.319 176.610 176.300 -0.016 0.000 1.203 301 R CA 0.528 56.618 56.100 -0.016 0.000 0.835 301 R CB -2.535 27.758 30.300 -0.011 0.000 1.253 301 R HN 0.460 nan 8.270 nan 0.000 0.516 302 C N -0.766 118.522 119.300 -0.021 0.000 2.480 302 C HA 0.560 5.018 4.460 -0.003 0.000 0.358 302 C C 1.022 176.004 174.990 -0.014 0.000 1.309 302 C CA -0.629 58.378 59.018 -0.020 0.000 2.465 302 C CB 1.346 29.070 27.740 -0.026 0.000 2.379 302 C HN 0.183 nan 8.230 nan 0.000 0.642 303 V N 1.891 121.806 119.914 0.001 0.000 2.409 303 V HA 0.320 4.438 4.120 -0.003 0.000 0.290 303 V C -0.495 175.623 176.094 0.040 0.000 1.017 303 V CA -0.258 62.063 62.300 0.035 0.000 0.841 303 V CB 1.483 33.344 31.823 0.063 0.000 1.003 303 V HN 0.677 nan 8.190 nan 0.000 0.426 304 V N 5.214 125.154 119.914 0.043 0.000 2.318 304 V HA 0.551 4.670 4.120 -0.003 0.000 0.271 304 V C 1.108 177.270 176.094 0.113 0.000 1.030 304 V CA 0.118 62.440 62.300 0.037 0.000 0.844 304 V CB 0.856 32.678 31.823 -0.003 0.000 1.015 304 V HN 0.896 nan 8.190 nan 0.000 0.460 305 G N 7.101 115.948 108.800 0.078 0.000 2.529 305 G HA2 0.360 4.318 3.960 -0.003 0.000 0.234 305 G HA3 0.360 4.318 3.960 -0.003 0.000 0.234 305 G C -2.379 172.561 174.900 0.067 0.000 1.527 305 G CA -0.498 44.637 45.100 0.058 0.000 1.062 305 G HN 0.578 nan 8.290 nan 0.000 0.558 306 P HA 0.286 nan 4.420 nan 0.000 0.289 306 P C -1.175 176.118 177.300 -0.011 0.000 1.300 306 P CA -0.422 62.686 63.100 0.014 0.000 0.828 306 P CB 1.039 32.729 31.700 -0.017 0.000 1.235 307 D N -2.031 118.381 120.400 0.021 0.000 2.692 307 D HA -0.117 4.521 4.640 -0.003 0.000 0.233 307 D C -0.516 175.804 176.300 0.034 0.000 1.172 307 D CA 1.294 55.313 54.000 0.032 0.000 0.636 307 D CB -2.194 38.617 40.800 0.018 0.000 1.028 307 D HN 0.258 nan 8.370 nan 0.000 0.419 308 T N 0.540 115.119 114.554 0.041 0.000 2.823 308 T HA 0.560 4.908 4.350 -0.003 0.000 0.279 308 T C 0.334 175.064 174.700 0.050 0.000 0.998 308 T CA -0.378 61.745 62.100 0.038 0.000 0.994 308 T CB 1.833 70.709 68.868 0.013 0.000 0.960 308 T HN -0.067 nan 8.240 nan 0.000 0.448 309 T N 4.230 118.806 114.554 0.037 0.000 2.847 309 T HA 0.564 4.912 4.350 -0.003 0.000 0.291 309 T C -0.721 173.913 174.700 -0.110 0.000 0.998 309 T CA -0.546 61.542 62.100 -0.021 0.000 0.967 309 T CB 0.356 69.213 68.868 -0.019 0.000 0.954 309 T HN 0.331 nan 8.240 nan 0.000 0.441 310 L N 3.122 124.304 121.223 -0.069 0.000 2.376 310 L HA 0.566 4.904 4.340 -0.003 0.000 0.275 310 L C -0.154 176.681 176.870 -0.058 0.000 0.987 310 L CA -0.778 54.019 54.840 -0.072 0.000 0.828 310 L CB 2.102 44.135 42.059 -0.045 0.000 1.249 310 L HN 0.544 nan 8.230 nan 0.000 0.409 311 T N 0.951 115.464 114.554 -0.067 0.000 2.791 311 T HA 0.278 4.626 4.350 -0.003 0.000 0.288 311 T C -0.608 174.071 174.700 -0.036 0.000 0.999 311 T CA -0.456 61.619 62.100 -0.043 0.000 0.952 311 T CB 0.892 69.733 68.868 -0.045 0.000 0.938 311 T HN 0.601 nan 8.240 nan 0.000 0.444 312 D N 1.245 121.629 120.400 -0.026 0.000 2.716 312 D HA -0.122 4.516 4.640 -0.003 0.000 0.239 312 D C -0.451 175.831 176.300 -0.030 0.000 1.125 312 D CA 0.572 54.558 54.000 -0.025 0.000 0.681 312 D CB -1.323 39.464 40.800 -0.022 0.000 1.070 312 D HN 0.339 nan 8.370 nan 0.000 0.432 313 V N -0.244 119.651 119.914 -0.032 0.000 2.555 313 V HA 0.804 4.923 4.120 -0.003 0.000 0.302 313 V C 0.410 176.485 176.094 -0.033 0.000 1.038 313 V CA -0.672 61.606 62.300 -0.036 0.000 0.887 313 V CB 2.168 33.967 31.823 -0.041 0.000 0.991 313 V HN 0.362 nan 8.190 nan 0.000 0.434 314 A N 4.329 127.128 122.820 -0.034 0.000 2.303 314 A HA 0.873 5.191 4.320 -0.003 0.000 0.320 314 A C -0.873 176.690 177.584 -0.035 0.000 1.192 314 A CA -0.508 51.511 52.037 -0.032 0.000 0.821 314 A CB 1.345 20.327 19.000 -0.030 0.000 1.188 314 A HN 0.702 nan 8.150 nan 0.000 0.492 315 V N 2.428 122.322 119.914 -0.033 0.000 2.588 315 V HA 0.656 4.774 4.120 -0.003 0.000 0.304 315 V C 1.017 177.092 176.094 -0.031 0.000 1.042 315 V CA -0.139 62.140 62.300 -0.035 0.000 0.877 315 V CB 1.545 33.347 31.823 -0.035 0.000 0.996 315 V HN 1.167 nan 8.190 nan 0.000 0.425 316 G N 2.230 111.011 108.800 -0.032 0.000 2.516 316 G HA2 0.292 4.250 3.960 -0.003 0.000 0.276 316 G HA3 0.292 4.250 3.960 -0.003 0.000 0.276 316 G C -0.524 174.361 174.900 -0.025 0.000 1.390 316 G CA -0.470 44.613 45.100 -0.028 0.000 1.050 316 G HN 0.654 nan 8.290 nan 0.000 0.519 317 D N -0.561 119.826 120.400 -0.021 0.000 2.302 317 D HA 0.407 5.045 4.640 -0.003 0.000 0.248 317 D C 1.198 177.488 176.300 -0.018 0.000 1.094 317 D CA 1.021 55.011 54.000 -0.018 0.000 0.897 317 D CB 1.222 42.014 40.800 -0.014 0.000 1.200 317 D HN 0.819 nan 8.370 nan 0.000 0.429 318 G N 0.933 109.724 108.800 -0.016 0.000 2.162 318 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.260 318 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.260 318 G C 0.484 175.374 174.900 -0.017 0.000 0.976 318 G CA 0.336 45.428 45.100 -0.014 0.000 0.655 318 G HN 0.823 nan 8.290 nan 0.000 0.533 319 A N -0.322 122.485 122.820 -0.022 0.000 2.322 319 A HA 0.779 5.097 4.320 -0.003 0.000 0.269 319 A C 0.630 178.200 177.584 -0.022 0.000 1.094 319 A CA 0.863 52.884 52.037 -0.026 0.000 0.807 319 A CB 1.092 20.073 19.000 -0.032 0.000 1.047 319 A HN 1.365 nan 8.150 nan 0.000 0.487 320 S N 0.423 116.108 115.700 -0.025 0.000 2.449 320 S HA 0.563 5.031 4.470 -0.003 0.000 0.310 320 S C -0.998 173.583 174.600 -0.031 0.000 1.096 320 S CA -0.456 57.731 58.200 -0.022 0.000 1.095 320 S CB 0.588 63.772 63.200 -0.026 0.000 1.007 320 S HN 0.777 nan 8.310 nan 0.000 0.474 321 V N 6.199 126.097 119.914 -0.026 0.000 2.385 321 V HA 0.437 4.555 4.120 -0.003 0.000 0.277 321 V C -0.703 175.369 176.094 -0.037 0.000 1.012 321 V CA -0.599 61.681 62.300 -0.033 0.000 0.832 321 V CB 1.328 33.135 31.823 -0.027 0.000 1.028 321 V HN 0.686 nan 8.190 nan 0.000 0.436 322 V N 4.754 124.627 119.914 -0.068 0.000 2.555 322 V HA 0.554 4.673 4.120 -0.003 0.000 0.302 322 V C 0.586 176.588 176.094 -0.153 0.000 1.038 322 V CA -1.075 61.164 62.300 -0.102 0.000 0.887 322 V CB 1.802 33.544 31.823 -0.133 0.000 0.991 322 V HN 0.918 nan 8.190 nan 0.000 0.434 323 R N 1.906 122.309 120.500 -0.162 0.000 2.965 323 R HA -0.151 4.187 4.340 -0.003 0.000 0.245 323 R C -0.275 175.955 176.300 -0.116 0.000 0.861 323 R CA 0.568 56.545 56.100 -0.204 0.000 0.614 323 R CB -1.495 28.498 30.300 -0.512 0.000 1.229 323 R HN 0.761 nan 8.270 nan 0.000 0.503 324 T N 0.049 114.595 114.554 -0.013 0.000 2.893 324 T HA 0.302 4.650 4.350 -0.003 0.000 0.293 324 T C -0.911 173.874 174.700 0.142 0.000 1.027 324 T CA -0.749 61.386 62.100 0.058 0.000 0.988 324 T CB 1.951 70.831 68.868 0.019 0.000 1.043 324 T HN 0.387 nan 8.240 nan 0.000 0.461 325 H N 0.715 119.849 119.070 0.106 0.000 2.685 325 H HA 0.649 5.204 4.556 -0.003 0.000 0.307 325 H C -0.027 175.424 175.328 0.205 0.000 1.017 325 H CA 0.027 56.153 56.048 0.129 0.000 1.237 325 H CB 0.386 30.212 29.762 0.106 0.000 1.409 325 H HN 0.877 nan 8.280 nan 0.000 0.488 326 G N 2.113 110.864 108.800 -0.082 0.000 2.672 326 G HA2 0.554 4.513 3.960 -0.003 0.000 0.292 326 G HA3 0.554 4.513 3.960 -0.003 0.000 0.292 326 G C -1.492 173.360 174.900 -0.079 0.000 1.375 326 G CA -0.440 44.650 45.100 -0.017 0.000 0.890 326 G HN 0.790 nan 8.290 nan 0.000 0.476 327 S N -1.541 114.127 115.700 -0.053 0.000 2.565 327 S HA 0.626 5.094 4.470 -0.003 0.000 0.269 327 S C -0.120 174.452 174.600 -0.046 0.000 1.153 327 S CA 0.004 58.174 58.200 -0.050 0.000 0.835 327 S CB 1.231 64.408 63.200 -0.037 0.000 1.122 327 S HN 1.840 nan 8.310 nan 0.000 0.462 328 S N 0.813 116.490 115.700 -0.039 0.000 3.231 328 S HA -0.008 4.460 4.470 -0.003 0.000 0.334 328 S C -0.008 174.563 174.600 -0.048 0.000 0.910 328 S CA 0.949 59.126 58.200 -0.038 0.000 1.342 328 S CB -1.936 61.244 63.200 -0.033 0.000 0.950 328 S HN 1.103 nan 8.310 nan 0.000 0.526 329 S N 0.219 115.890 115.700 -0.049 0.000 2.611 329 S HA 0.808 5.276 4.470 -0.003 0.000 0.268 329 S C -0.652 173.917 174.600 -0.052 0.000 1.156 329 S CA -0.445 57.721 58.200 -0.057 0.000 0.817 329 S CB 2.271 65.433 63.200 -0.064 0.000 1.122 329 S HN 0.966 nan 8.310 nan 0.000 0.466 330 S N 0.350 116.015 115.700 -0.058 0.000 2.549 330 S HA 0.839 5.307 4.470 -0.003 0.000 0.280 330 S C -1.331 173.233 174.600 -0.060 0.000 1.109 330 S CA -0.714 57.453 58.200 -0.054 0.000 0.905 330 S CB 0.946 64.116 63.200 -0.051 0.000 1.081 330 S HN 0.587 nan 8.310 nan 0.000 0.477 331 I N 2.164 122.701 120.570 -0.055 0.000 2.447 331 I HA 0.542 4.711 4.170 -0.003 0.000 0.287 331 I C 0.909 176.993 176.117 -0.055 0.000 1.023 331 I CA -0.686 60.579 61.300 -0.058 0.000 1.083 331 I CB 1.929 39.898 38.000 -0.051 0.000 1.245 331 I HN 0.950 nan 8.210 nan 0.000 0.434 332 G N 3.721 112.484 108.800 -0.062 0.000 2.553 332 G HA2 0.195 4.154 3.960 -0.003 0.000 0.278 332 G HA3 0.195 4.154 3.960 -0.003 0.000 0.278 332 G C -0.534 174.337 174.900 -0.048 0.000 1.349 332 G CA -0.398 44.668 45.100 -0.057 0.000 1.037 332 G HN 0.506 nan 8.290 nan 0.000 0.508 333 D N -0.763 119.612 120.400 -0.041 0.000 2.414 333 D HA 0.382 5.020 4.640 -0.003 0.000 0.242 333 D C 1.434 177.714 176.300 -0.033 0.000 1.129 333 D CA 1.284 55.265 54.000 -0.032 0.000 0.885 333 D CB 0.799 41.585 40.800 -0.024 0.000 1.198 333 D HN 0.790 nan 8.370 nan 0.000 0.437 334 G N 0.861 109.645 108.800 -0.027 0.000 2.200 334 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.267 334 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.267 334 G C 0.577 175.458 174.900 -0.032 0.000 0.993 334 G CA 0.634 45.720 45.100 -0.024 0.000 0.701 334 G HN 0.807 nan 8.290 nan 0.000 0.524 335 A N -0.554 122.240 122.820 -0.043 0.000 2.366 335 A HA 0.836 5.155 4.320 -0.003 0.000 0.249 335 A C 0.650 178.206 177.584 -0.047 0.000 1.084 335 A CA 0.794 52.800 52.037 -0.053 0.000 0.794 335 A CB 0.884 19.847 19.000 -0.063 0.000 1.034 335 A HN 2.072 nan 8.150 nan 0.000 0.491 336 A N 1.150 123.938 122.820 -0.053 0.000 2.332 336 A HA 0.603 4.921 4.320 -0.003 0.000 0.300 336 A C -0.878 176.670 177.584 -0.060 0.000 1.153 336 A CA -0.383 51.623 52.037 -0.052 0.000 0.764 336 A CB 0.941 19.912 19.000 -0.048 0.000 1.174 336 A HN 1.022 nan 8.150 nan 0.000 0.467 337 V N 1.992 121.872 119.914 -0.057 0.000 2.495 337 V HA 0.900 5.018 4.120 -0.003 0.000 0.298 337 V C 0.657 176.709 176.094 -0.069 0.000 1.031 337 V CA 0.634 62.900 62.300 -0.057 0.000 0.871 337 V CB 0.989 32.785 31.823 -0.045 0.000 0.988 337 V HN 2.123 nan 8.190 nan 0.000 0.432 338 G N 5.909 114.660 108.800 -0.082 0.000 2.479 338 G HA2 0.051 4.010 3.960 -0.003 0.000 0.686 338 G HA3 0.051 4.010 3.960 -0.003 0.000 0.686 338 G C -3.383 171.425 174.900 -0.154 0.000 1.295 338 G CA -0.710 44.312 45.100 -0.130 0.000 0.922 338 G HN 0.655 nan 8.290 nan 0.000 0.582 339 P HA 0.687 nan 4.420 nan 0.000 0.282 339 P C -0.265 176.795 177.300 -0.399 0.000 1.259 339 P CA -0.294 62.532 63.100 -0.458 0.000 0.826 339 P CB 0.199 31.478 31.700 -0.701 0.000 1.064 340 F N -2.275 117.607 119.950 -0.112 0.000 2.744 340 F HA -0.144 4.381 4.527 -0.003 0.000 0.377 340 F C -0.183 175.587 175.800 -0.050 0.000 1.069 340 F CA 0.453 58.400 58.000 -0.087 0.000 1.211 340 F CB -2.851 36.017 39.000 -0.220 0.000 1.606 340 F HN 0.155 nan 8.300 nan 0.000 0.781 341 T N 0.175 114.811 114.554 0.135 0.000 2.900 341 T HA 0.593 4.941 4.350 -0.003 0.000 0.295 341 T C -1.509 173.353 174.700 0.269 0.000 1.044 341 T CA -0.821 61.376 62.100 0.162 0.000 0.995 341 T CB 2.502 71.410 68.868 0.066 0.000 1.072 341 T HN 0.173 nan 8.240 nan 0.000 0.473 342 Y N 3.001 123.374 120.300 0.122 0.000 2.326 342 Y HA 0.595 5.144 4.550 -0.002 0.000 0.329 342 Y C -1.660 174.304 175.900 0.107 0.000 0.973 342 Y CA -2.057 56.130 58.100 0.144 0.000 1.162 342 Y CB 0.518 39.073 38.460 0.158 0.000 1.147 342 Y HN 0.510 nan 8.280 nan 0.000 0.456 343 L N 7.565 128.819 121.223 0.051 0.000 2.280 343 L HA 0.592 4.930 4.340 -0.003 0.000 0.287 343 L C 0.150 176.855 176.870 -0.275 0.000 1.023 343 L CA -0.684 54.080 54.840 -0.126 0.000 0.819 343 L CB 1.301 43.333 42.059 -0.046 0.000 1.212 343 L HN 0.552 nan 8.230 nan 0.000 0.420 344 R N 3.004 123.279 120.500 -0.375 0.000 2.532 344 R HA 0.409 4.747 4.340 -0.003 0.000 0.272 344 R C -2.348 173.873 176.300 -0.133 0.000 1.032 344 R CA -1.772 54.166 56.100 -0.270 0.000 1.089 344 R CB 0.569 30.701 30.300 -0.279 0.000 1.098 344 R HN 0.285 nan 8.270 nan 0.000 0.526 345 P HA -0.079 nan 4.420 nan 0.000 0.263 345 P C 0.315 177.577 177.300 -0.064 0.000 1.175 345 P CA 1.196 64.261 63.100 -0.058 0.000 0.761 345 P CB 0.436 32.115 31.700 -0.034 0.000 0.794 346 G N 1.283 110.045 108.800 -0.063 0.000 2.175 346 G HA2 -0.204 3.754 3.960 -0.003 0.000 0.244 346 G HA3 -0.204 3.754 3.960 -0.003 0.000 0.244 346 G C 0.200 175.048 174.900 -0.086 0.000 0.982 346 G CA -0.109 44.951 45.100 -0.067 0.000 0.641 346 G HN 0.588 nan 8.290 nan 0.000 0.527 347 T N 1.410 115.906 114.554 -0.096 0.000 2.834 347 T HA 0.570 4.918 4.350 -0.003 0.000 0.298 347 T C 0.404 175.046 174.700 -0.097 0.000 0.966 347 T CA 0.884 62.918 62.100 -0.110 0.000 1.141 347 T CB 1.508 70.307 68.868 -0.114 0.000 0.905 347 T HN 1.453 nan 8.240 nan 0.000 0.535 348 A N 3.964 126.720 122.820 -0.106 0.000 2.335 348 A HA 0.703 5.021 4.320 -0.003 0.000 0.304 348 A C -0.918 176.599 177.584 -0.112 0.000 1.118 348 A CA -0.734 51.245 52.037 -0.097 0.000 0.757 348 A CB 0.793 19.739 19.000 -0.090 0.000 1.188 348 A HN 0.698 nan 8.150 nan 0.000 0.460 349 L N 3.012 124.173 121.223 -0.104 0.000 2.341 349 L HA 0.817 5.155 4.340 -0.003 0.000 0.278 349 L C 0.558 177.362 176.870 -0.109 0.000 1.005 349 L CA 0.133 54.905 54.840 -0.114 0.000 0.818 349 L CB 1.658 43.655 42.059 -0.103 0.000 1.259 349 L HN 0.761 nan 8.230 nan 0.000 0.418 350 G N 2.812 111.535 108.800 -0.128 0.000 2.543 350 G HA2 0.601 4.559 3.960 -0.003 0.000 0.290 350 G HA3 0.601 4.559 3.960 -0.003 0.000 0.290 350 G C -0.696 174.131 174.900 -0.120 0.000 1.310 350 G CA -0.332 44.693 45.100 -0.125 0.000 1.025 350 G HN 1.014 nan 8.290 nan 0.000 0.502 351 A N -1.003 121.751 122.820 -0.111 0.000 2.371 351 A HA 0.489 4.807 4.320 -0.003 0.000 0.257 351 A C 0.682 178.203 177.584 -0.104 0.000 1.089 351 A CA 0.474 52.459 52.037 -0.086 0.000 0.794 351 A CB 0.050 19.014 19.000 -0.061 0.000 1.029 351 A HN 0.798 nan 8.150 nan 0.000 0.488 352 D N -0.223 120.133 120.400 -0.075 0.000 3.077 352 D HA -0.156 4.483 4.640 -0.003 0.000 0.217 352 D C 0.708 176.947 176.300 -0.101 0.000 1.162 352 D CA 1.831 55.789 54.000 -0.069 0.000 0.943 352 D CB -1.566 39.209 40.800 -0.043 0.000 1.122 352 D HN 0.999 nan 8.370 nan 0.000 0.413 353 G N 0.062 108.791 108.800 -0.119 0.000 2.616 353 G HA2 0.438 4.396 3.960 -0.003 0.000 0.268 353 G HA3 0.438 4.396 3.960 -0.003 0.000 0.268 353 G C -0.152 174.689 174.900 -0.098 0.000 1.213 353 G CA -0.237 44.786 45.100 -0.129 0.000 0.926 353 G HN 0.153 nan 8.290 nan 0.000 0.523 354 K N -0.412 119.929 120.400 -0.099 0.000 2.535 354 K HA 0.476 4.794 4.320 -0.003 0.000 0.251 354 K C -1.489 175.057 176.600 -0.091 0.000 0.942 354 K CA -0.619 55.615 56.287 -0.088 0.000 0.798 354 K CB 1.475 33.924 32.500 -0.085 0.000 1.267 354 K HN 0.329 nan 8.250 nan 0.000 0.434 355 L N 3.788 124.962 121.223 -0.081 0.000 2.342 355 L HA 0.504 4.843 4.340 -0.003 0.000 0.276 355 L C 0.574 177.402 176.870 -0.070 0.000 0.997 355 L CA -0.789 54.009 54.840 -0.069 0.000 0.838 355 L CB 1.767 43.794 42.059 -0.053 0.000 1.224 355 L HN 0.846 nan 8.230 nan 0.000 0.416 356 G N 1.661 110.409 108.800 -0.087 0.000 2.574 356 G HA2 0.655 4.614 3.960 -0.003 0.000 0.248 356 G HA3 0.655 4.614 3.960 -0.003 0.000 0.248 356 G C -0.301 174.546 174.900 -0.088 0.000 1.422 356 G CA -0.347 44.688 45.100 -0.107 0.000 1.051 356 G HN 0.664 nan 8.290 nan 0.000 0.560 357 A N -1.659 121.080 122.820 -0.136 0.000 2.425 357 A HA 0.534 4.853 4.320 -0.003 0.000 0.249 357 A C -0.071 177.306 177.584 -0.345 0.000 1.084 357 A CA -0.117 51.682 52.037 -0.395 0.000 0.781 357 A CB -0.620 18.014 19.000 -0.609 0.000 1.019 357 A HN 1.288 nan 8.150 nan 0.000 0.490 358 F N -0.638 119.448 119.950 0.226 0.000 3.074 358 F HA -0.169 4.356 4.527 -0.003 0.000 0.289 358 F C 0.175 176.077 175.800 0.169 0.000 0.863 358 F CA 0.264 58.364 58.000 0.167 0.000 1.121 358 F CB -2.618 36.446 39.000 0.107 0.000 1.169 358 F HN 0.251 nan 8.300 nan 0.000 0.570 359 V N 0.072 120.125 119.914 0.232 0.000 2.532 359 V HA 0.558 4.676 4.120 -0.003 0.000 0.295 359 V C 0.272 176.508 176.094 0.237 0.000 1.041 359 V CA -0.929 61.496 62.300 0.208 0.000 0.926 359 V CB 2.193 34.082 31.823 0.110 0.000 0.992 359 V HN 0.293 nan 8.190 nan 0.000 0.457 360 E N 2.629 122.991 120.200 0.270 0.000 2.238 360 E HA 0.731 5.080 4.350 -0.003 0.000 0.267 360 E C -2.009 174.660 176.600 0.115 0.000 0.887 360 E CA -0.513 56.053 56.400 0.277 0.000 0.769 360 E CB 2.331 32.310 29.700 0.464 0.000 1.187 360 E HN 0.445 nan 8.360 nan 0.000 0.416 361 V N 4.061 123.956 119.914 -0.032 0.000 2.686 361 V HA 0.433 4.551 4.120 -0.003 0.000 0.306 361 V C -0.687 175.314 176.094 -0.156 0.000 1.065 361 V CA -0.884 61.324 62.300 -0.153 0.000 0.894 361 V CB 1.867 33.597 31.823 -0.155 0.000 1.004 361 V HN 0.607 nan 8.190 nan 0.000 0.424 362 K N 3.742 124.046 120.400 -0.160 0.000 2.397 362 K HA 0.416 4.735 4.320 -0.003 0.000 0.253 362 K C 0.119 176.647 176.600 -0.120 0.000 0.932 362 K CA -0.662 55.565 56.287 -0.100 0.000 0.795 362 K CB 1.181 33.695 32.500 0.023 0.000 1.159 362 K HN 0.665 nan 8.250 nan 0.000 0.424 363 N N 1.805 120.444 118.700 -0.102 0.000 2.699 363 N HA -0.173 4.566 4.740 -0.003 0.000 0.256 363 N C -1.913 173.519 175.510 -0.130 0.000 0.993 363 N CA 1.097 54.091 53.050 -0.094 0.000 0.759 363 N CB -0.772 37.679 38.487 -0.061 0.000 0.906 363 N HN 0.549 nan 8.380 nan 0.000 0.541 364 S N -0.486 115.117 115.700 -0.161 0.000 2.569 364 S HA 0.631 5.099 4.470 -0.003 0.000 0.280 364 S C -0.551 173.939 174.600 -0.184 0.000 1.111 364 S CA -0.675 57.402 58.200 -0.205 0.000 0.887 364 S CB 2.047 65.066 63.200 -0.302 0.000 1.095 364 S HN 0.194 nan 8.310 nan 0.000 0.476 365 T N 2.383 116.824 114.554 -0.188 0.000 2.797 365 T HA 0.652 5.000 4.350 -0.003 0.000 0.279 365 T C -0.669 173.919 174.700 -0.187 0.000 0.991 365 T CA -0.340 61.664 62.100 -0.160 0.000 0.979 365 T CB 0.317 69.107 68.868 -0.129 0.000 0.943 365 T HN 0.432 nan 8.240 nan 0.000 0.444 366 I N 2.254 122.719 120.570 -0.175 0.000 2.478 366 I HA 0.470 4.639 4.170 -0.003 0.000 0.287 366 I C 0.947 176.959 176.117 -0.176 0.000 1.042 366 I CA -0.986 60.201 61.300 -0.188 0.000 1.067 366 I CB 1.880 39.764 38.000 -0.194 0.000 1.233 366 I HN 0.717 nan 8.210 nan 0.000 0.431 367 G N 3.419 112.107 108.800 -0.186 0.000 2.653 367 G HA2 0.244 4.203 3.960 -0.003 0.000 0.265 367 G HA3 0.244 4.203 3.960 -0.003 0.000 0.265 367 G C -0.067 174.676 174.900 -0.263 0.000 1.237 367 G CA -0.292 44.689 45.100 -0.199 0.000 0.946 367 G HN 0.527 nan 8.290 nan 0.000 0.522 368 T N 0.188 114.560 114.554 -0.303 0.000 2.822 368 T HA 0.360 4.709 4.350 -0.003 0.000 0.288 368 T C 1.531 175.772 174.700 -0.765 0.000 0.991 368 T CA 1.449 63.298 62.100 -0.418 0.000 1.176 368 T CB 0.395 69.065 68.868 -0.331 0.000 0.951 368 T HN 1.827 nan 8.240 nan 0.000 0.526 369 G N 3.310 111.778 108.800 -0.553 0.000 2.176 369 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.253 369 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.253 369 G C 0.357 175.059 174.900 -0.330 0.000 0.979 369 G CA 0.118 44.890 45.100 -0.547 0.000 0.641 369 G HN 0.814 nan 8.290 nan 0.000 0.530 370 T N 1.268 115.643 114.554 -0.298 0.000 2.897 370 T HA 0.543 4.891 4.350 -0.003 0.000 0.294 370 T C 0.212 174.832 174.700 -0.134 0.000 1.004 370 T CA 0.201 62.186 62.100 -0.191 0.000 1.106 370 T CB 1.250 69.999 68.868 -0.200 0.000 0.949 370 T HN 0.325 nan 8.240 nan 0.000 0.520 371 K N 1.782 122.124 120.400 -0.096 0.000 2.397 371 K HA 0.574 4.893 4.320 -0.003 0.000 0.253 371 K C -1.277 175.277 176.600 -0.076 0.000 0.932 371 K CA -0.742 55.494 56.287 -0.086 0.000 0.795 371 K CB 2.163 34.621 32.500 -0.069 0.000 1.159 371 K HN 0.250 nan 8.250 nan 0.000 0.424 372 V N 4.889 124.753 119.914 -0.083 0.000 2.266 372 V HA 0.158 4.276 4.120 -0.003 0.000 0.266 372 V C -1.731 174.307 176.094 -0.093 0.000 1.036 372 V CA -1.157 61.112 62.300 -0.051 0.000 0.828 372 V CB 0.890 32.691 31.823 -0.036 0.000 1.081 372 V HN 0.710 nan 8.190 nan 0.000 0.449 373 P HA 0.035 nan 4.420 nan 0.000 0.231 373 P C 0.082 177.047 177.300 -0.558 0.000 1.168 373 P CA 1.005 63.822 63.100 -0.472 0.000 0.779 373 P CB 0.507 31.776 31.700 -0.719 0.000 0.844 374 H N -0.772 118.349 119.070 0.084 0.000 3.087 374 H HA 0.229 4.783 4.556 -0.003 0.000 0.348 374 H C 0.461 175.890 175.328 0.169 0.000 1.092 374 H CA -0.936 55.190 56.048 0.130 0.000 1.285 374 H CB 1.161 30.998 29.762 0.125 0.000 1.875 374 H HN -0.207 nan 8.280 nan 0.000 0.512 375 L N 0.921 122.357 121.223 0.354 0.000 3.843 375 L HA -0.237 4.101 4.340 -0.003 0.000 0.411 375 L C 0.366 177.382 176.870 0.243 0.000 1.205 375 L CA 1.412 56.433 54.840 0.303 0.000 0.945 375 L CB -1.547 40.657 42.059 0.242 0.000 1.929 375 L HN 0.813 nan 8.230 nan 0.000 0.934 376 T N -3.103 111.601 114.554 0.248 0.000 2.932 376 T HA 0.606 4.954 4.350 -0.003 0.000 0.289 376 T C -0.846 174.039 174.700 0.307 0.000 1.039 376 T CA -0.654 61.598 62.100 0.253 0.000 1.024 376 T CB 2.460 71.471 68.868 0.239 0.000 1.090 376 T HN 0.150 nan 8.240 nan 0.000 0.496 377 Y N 1.951 122.372 120.300 0.202 0.000 2.341 377 Y HA 0.636 5.184 4.550 -0.003 0.000 0.338 377 Y C -1.524 174.539 175.900 0.272 0.000 0.965 377 Y CA -1.283 56.931 58.100 0.190 0.000 1.108 377 Y CB 1.553 40.110 38.460 0.162 0.000 1.180 377 Y HN 0.616 nan 8.280 nan 0.000 0.458 378 V N 6.259 125.831 119.914 -0.569 0.000 2.326 378 V HA 0.683 4.801 4.120 -0.003 0.000 0.281 378 V C 0.143 175.717 176.094 -0.867 0.000 1.015 378 V CA -0.378 61.546 62.300 -0.626 0.000 0.823 378 V CB 1.089 32.574 31.823 -0.563 0.000 1.009 378 V HN 1.013 nan 8.190 nan 0.000 0.436 379 G N 1.941 110.279 108.800 -0.770 0.000 2.544 379 G HA2 0.590 4.548 3.960 -0.003 0.000 0.313 379 G HA3 0.590 4.548 3.960 -0.003 0.000 0.313 379 G C -0.496 174.294 174.900 -0.183 0.000 1.316 379 G CA -0.451 44.398 45.100 -0.419 0.000 0.944 379 G HN 0.656 nan 8.290 nan 0.000 0.489 380 D N -0.739 119.571 120.400 -0.149 0.000 2.697 380 D HA -0.120 4.519 4.640 -0.003 0.000 0.238 380 D C 0.551 176.775 176.300 -0.128 0.000 1.152 380 D CA 1.611 55.553 54.000 -0.096 0.000 0.666 380 D CB -1.078 39.712 40.800 -0.016 0.000 1.037 380 D HN 0.933 nan 8.370 nan 0.000 0.423 381 A N 0.313 122.987 122.820 -0.242 0.000 2.527 381 A HA 0.673 4.991 4.320 -0.003 0.000 0.293 381 A C -0.905 176.515 177.584 -0.272 0.000 1.117 381 A CA -0.780 51.089 52.037 -0.279 0.000 0.723 381 A CB 1.936 20.611 19.000 -0.541 0.000 1.313 381 A HN -0.002 nan 8.150 nan 0.000 0.411 382 D N 0.682 120.950 120.400 -0.220 0.000 2.505 382 D HA 0.591 5.230 4.640 -0.003 0.000 0.249 382 D C -1.061 175.117 176.300 -0.203 0.000 1.082 382 D CA 0.194 54.078 54.000 -0.193 0.000 0.839 382 D CB 1.974 42.700 40.800 -0.123 0.000 1.317 382 D HN 0.409 nan 8.370 nan 0.000 0.497 383 I N 0.889 121.332 120.570 -0.211 0.000 2.608 383 I HA 0.379 4.547 4.170 -0.003 0.000 0.295 383 I C 1.082 177.107 176.117 -0.153 0.000 1.049 383 I CA -0.702 60.483 61.300 -0.192 0.000 1.063 383 I CB 2.266 40.120 38.000 -0.242 0.000 1.248 383 I HN 0.319 nan 8.210 nan 0.000 0.424 384 G N 3.823 112.550 108.800 -0.122 0.000 2.546 384 G HA2 0.373 4.331 3.960 -0.003 0.000 0.239 384 G HA3 0.373 4.331 3.960 -0.003 0.000 0.239 384 G C -0.426 174.378 174.900 -0.159 0.000 1.476 384 G CA -0.365 44.669 45.100 -0.109 0.000 1.064 384 G HN 0.633 nan 8.290 nan 0.000 0.561 385 E N -1.297 118.801 120.200 -0.171 0.000 2.222 385 E HA 0.369 4.717 4.350 -0.003 0.000 0.272 385 E C -0.933 175.471 176.600 -0.328 0.000 0.982 385 E CA -0.702 55.516 56.400 -0.305 0.000 0.842 385 E CB 1.321 30.880 29.700 -0.235 0.000 1.144 385 E HN 0.433 nan 8.360 nan 0.000 0.397 386 Y N -0.797 119.343 120.300 -0.266 0.000 3.978 386 Y HA -0.286 4.262 4.550 -0.003 0.000 0.219 386 Y C 0.227 175.981 175.900 -0.243 0.000 1.153 386 Y CA 0.228 58.153 58.100 -0.291 0.000 1.718 386 Y CB -2.089 36.116 38.460 -0.425 0.000 1.541 386 Y HN 0.216 nan 8.280 nan 0.000 0.640 387 S N -0.058 115.571 115.700 -0.118 0.000 2.632 387 S HA 0.446 4.914 4.470 -0.003 0.000 0.271 387 S C 0.163 174.731 174.600 -0.053 0.000 1.260 387 S CA -0.786 57.373 58.200 -0.068 0.000 1.010 387 S CB 1.564 64.717 63.200 -0.079 0.000 0.965 387 S HN 0.416 nan 8.310 nan 0.000 0.534 388 N N 0.856 119.532 118.700 -0.041 0.000 2.346 388 N HA 0.413 5.151 4.740 -0.003 0.000 0.289 388 N C -1.528 173.979 175.510 -0.005 0.000 1.027 388 N CA -0.405 52.627 53.050 -0.030 0.000 0.864 388 N CB 0.528 38.998 38.487 -0.027 0.000 1.370 388 N HN 0.315 nan 8.380 nan 0.000 0.481 389 I N 2.152 122.737 120.570 0.025 0.000 2.354 389 I HA 0.410 4.579 4.170 -0.003 0.000 0.292 389 I C 1.242 177.427 176.117 0.112 0.000 0.989 389 I CA -0.568 60.791 61.300 0.099 0.000 1.188 389 I CB 0.716 38.795 38.000 0.133 0.000 1.342 389 I HN 0.552 nan 8.210 nan 0.000 0.457 390 G N 3.993 112.874 108.800 0.135 0.000 2.537 390 G HA2 0.513 4.471 3.960 -0.003 0.000 0.273 390 G HA3 0.513 4.471 3.960 -0.003 0.000 0.273 390 G C 0.050 175.042 174.900 0.154 0.000 1.189 390 G CA -0.434 44.739 45.100 0.121 0.000 0.881 390 G HN 0.805 nan 8.290 nan 0.000 0.535 391 A N 0.251 123.180 122.820 0.183 0.000 2.520 391 A HA 0.445 4.763 4.320 -0.003 0.000 0.235 391 A C 1.397 179.069 177.584 0.146 0.000 1.065 391 A CA 1.181 53.347 52.037 0.215 0.000 0.764 391 A CB -0.124 18.997 19.000 0.201 0.000 1.002 391 A HN 2.216 nan 8.150 nan 0.000 0.502 392 S N 0.375 116.171 115.700 0.160 0.000 3.812 392 S HA -0.131 4.337 4.470 -0.003 0.000 0.341 392 S C 0.346 175.006 174.600 0.100 0.000 1.057 392 S CA 0.612 58.883 58.200 0.119 0.000 1.015 392 S CB -1.785 61.458 63.200 0.071 0.000 0.893 392 S HN 1.397 nan 8.310 nan 0.000 0.476 393 S N 0.054 115.839 115.700 0.142 0.000 2.718 393 S HA 0.864 5.332 4.470 -0.003 0.000 0.300 393 S C -0.195 174.514 174.600 0.180 0.000 1.117 393 S CA -0.577 57.697 58.200 0.124 0.000 1.002 393 S CB 2.131 65.448 63.200 0.196 0.000 1.092 393 S HN 0.551 nan 8.310 nan 0.000 0.542 394 V N 1.564 121.559 119.914 0.134 0.000 2.668 394 V HA 0.387 4.506 4.120 -0.003 0.000 0.304 394 V C -1.619 174.555 176.094 0.134 0.000 1.071 394 V CA -0.637 61.803 62.300 0.233 0.000 0.894 394 V CB 1.363 33.311 31.823 0.209 0.000 1.008 394 V HN 0.833 nan 8.190 nan 0.000 0.425 395 F N 3.612 123.698 119.950 0.227 0.000 2.368 395 F HA 0.476 5.002 4.527 -0.002 0.000 0.362 395 F C 0.403 176.318 175.800 0.193 0.000 1.137 395 F CA -0.452 57.649 58.000 0.168 0.000 1.161 395 F CB 1.116 40.087 39.000 -0.050 0.000 1.265 395 F HN 0.214 nan 8.300 nan 0.000 0.530 396 V N 3.884 123.959 119.914 0.269 0.000 2.644 396 V HA 0.307 4.425 4.120 -0.003 0.000 0.295 396 V C 0.114 176.317 176.094 0.182 0.000 1.053 396 V CA -0.904 61.526 62.300 0.217 0.000 0.987 396 V CB 1.206 33.107 31.823 0.130 0.000 1.006 396 V HN 0.591 nan 8.190 nan 0.000 0.472 404 R N 0.822 121.331 120.500 0.015 0.000 2.087 404 R HA 0.460 4.798 4.340 -0.003 0.000 0.216 404 R C 0.990 177.298 176.300 0.014 0.000 1.114 404 R CA 1.342 57.452 56.100 0.016 0.000 1.002 404 R CB -0.249 30.064 30.300 0.022 0.000 0.903 404 R HN 0.720 nan 8.270 nan 0.000 0.445 405 R N -0.893 119.619 120.500 0.019 0.000 1.046 405 R HA -0.093 4.245 4.340 -0.003 0.000 0.427 405 R C -0.969 175.346 176.300 0.026 0.000 1.360 405 R CA 0.593 56.701 56.100 0.013 0.000 1.198 405 R CB -1.417 28.875 30.300 -0.012 0.000 3.457 405 R HN 0.516 nan 8.270 nan 0.000 0.507 406 T N 2.863 117.442 114.554 0.041 0.000 2.897 406 T HA 0.369 4.718 4.350 -0.003 0.000 0.294 406 T C 0.095 174.800 174.700 0.007 0.000 1.004 406 T CA 0.062 62.202 62.100 0.066 0.000 1.106 406 T CB 1.127 70.101 68.868 0.176 0.000 0.949 406 T HN 0.426 nan 8.240 nan 0.000 0.520 407 T N 2.457 117.018 114.554 0.012 0.000 2.886 407 T HA 0.564 4.912 4.350 -0.003 0.000 0.292 407 T C -0.839 173.852 174.700 -0.016 0.000 1.012 407 T CA -0.546 61.539 62.100 -0.025 0.000 0.982 407 T CB 1.460 70.321 68.868 -0.012 0.000 1.018 407 T HN 0.323 nan 8.240 nan 0.000 0.451 408 V N 2.318 122.200 119.914 -0.054 0.000 2.588 408 V HA 0.739 4.857 4.120 -0.003 0.000 0.304 408 V C 0.866 176.938 176.094 -0.037 0.000 1.042 408 V CA -0.649 61.625 62.300 -0.044 0.000 0.877 408 V CB 1.896 33.662 31.823 -0.095 0.000 0.996 408 V HN 1.049 nan 8.190 nan 0.000 0.425 409 G N 3.007 111.807 108.800 -0.000 0.000 2.516 409 G HA2 0.450 4.408 3.960 -0.003 0.000 0.276 409 G HA3 0.450 4.408 3.960 -0.003 0.000 0.276 409 G C -0.006 174.899 174.900 0.008 0.000 1.390 409 G CA -0.346 44.762 45.100 0.014 0.000 1.050 409 G HN 0.681 nan 8.290 nan 0.000 0.519 410 S N -1.073 114.651 115.700 0.041 0.000 2.617 410 S HA 0.436 4.905 4.470 -0.003 0.000 0.283 410 S C 0.027 174.692 174.600 0.108 0.000 1.189 410 S CA -0.409 57.797 58.200 0.011 0.000 1.036 410 S CB 0.895 64.111 63.200 0.026 0.000 1.014 410 S HN 0.672 nan 8.310 nan 0.000 0.522 411 H N -1.796 117.323 119.070 0.082 0.000 2.992 411 H HA -0.127 4.427 4.556 -0.003 0.000 0.266 411 H C -0.422 174.935 175.328 0.048 0.000 1.200 411 H CA 0.471 56.568 56.048 0.082 0.000 1.135 411 H CB -2.169 27.644 29.762 0.085 0.000 1.282 411 H HN 0.298 nan 8.280 nan 0.000 0.351 412 V N 1.808 121.771 119.914 0.081 0.000 2.649 412 V HA 0.253 4.371 4.120 -0.003 0.000 0.292 412 V C 1.048 177.099 176.094 -0.071 0.000 1.055 412 V CA 0.046 62.365 62.300 0.031 0.000 1.023 412 V CB 1.752 33.595 31.823 0.033 0.000 0.992 412 V HN 0.171 nan 8.190 nan 0.000 0.480 413 R N 2.697 123.062 120.500 -0.225 0.000 2.435 413 R HA 0.463 4.801 4.340 -0.003 0.000 0.308 413 R C -0.470 175.678 176.300 -0.253 0.000 0.975 413 R CA -0.463 55.418 56.100 -0.366 0.000 0.867 413 R CB 1.840 31.642 30.300 -0.830 0.000 1.171 413 R HN 0.849 nan 8.270 nan 0.000 0.470 414 T N -0.842 113.686 114.554 -0.043 0.000 2.867 414 T HA 0.580 4.929 4.350 -0.003 0.000 0.282 414 T C 0.685 175.416 174.700 0.051 0.000 1.000 414 T CA -0.745 61.408 62.100 0.089 0.000 1.042 414 T CB 2.111 71.188 68.868 0.348 0.000 0.973 414 T HN 0.546 nan 8.240 nan 0.000 0.465 415 G N 1.322 110.144 108.800 0.038 0.000 2.547 415 G HA2 0.504 4.462 3.960 -0.003 0.000 0.291 415 G HA3 0.504 4.462 3.960 -0.003 0.000 0.291 415 G C -0.095 174.821 174.900 0.027 0.000 1.211 415 G CA -0.916 44.203 45.100 0.031 0.000 0.950 415 G HN 0.869 nan 8.290 nan 0.000 0.504 416 S N -0.812 114.908 115.700 0.033 0.000 2.569 416 S HA 0.125 4.593 4.470 -0.003 0.000 0.274 416 S C 0.659 175.256 174.600 -0.005 0.000 1.353 416 S CA 0.763 58.983 58.200 0.034 0.000 1.023 416 S CB 0.539 63.761 63.200 0.037 0.000 0.876 416 S HN 0.845 nan 8.310 nan 0.000 0.540 417 D N 0.082 120.480 120.400 -0.003 0.000 2.751 417 D HA -0.149 4.489 4.640 -0.003 0.000 0.233 417 D C -0.652 175.581 176.300 -0.113 0.000 1.149 417 D CA 0.973 54.949 54.000 -0.041 0.000 0.682 417 D CB -1.335 39.443 40.800 -0.036 0.000 1.068 417 D HN 0.492 nan 8.370 nan 0.000 0.429 418 T N 1.362 115.806 114.554 -0.184 0.000 2.799 418 T HA 0.484 4.832 4.350 -0.003 0.000 0.286 418 T C 0.490 174.849 174.700 -0.568 0.000 0.973 418 T CA -0.720 61.117 62.100 -0.438 0.000 1.035 418 T CB 1.136 69.590 68.868 -0.690 0.000 0.932 418 T HN 0.020 nan 8.240 nan 0.000 0.469 419 M N 3.604 122.885 119.600 -0.532 0.000 2.205 419 M HA 0.425 4.903 4.480 -0.003 0.000 0.344 419 M C -1.110 174.860 176.300 -0.550 0.000 1.085 419 M CA -0.841 54.227 55.300 -0.386 0.000 1.001 419 M CB 0.677 33.167 32.600 -0.183 0.000 1.626 419 M HN 0.497 nan 8.290 nan 0.000 0.442 420 F N 2.486 122.257 119.950 -0.299 0.000 2.293 420 F HA 0.360 4.886 4.527 -0.002 0.000 0.370 420 F C 0.308 176.038 175.800 -0.117 0.000 1.090 420 F CA -0.827 57.008 58.000 -0.276 0.000 1.133 420 F CB 0.590 39.241 39.000 -0.581 0.000 1.360 420 F HN 0.174 nan 8.300 nan 0.000 0.489 421 V N 4.081 124.029 119.914 0.057 0.000 2.381 421 V HA 0.313 4.431 4.120 -0.003 0.000 0.257 421 V C 0.820 176.971 176.094 0.096 0.000 1.057 421 V CA -0.746 61.595 62.300 0.067 0.000 1.013 421 V CB -0.332 31.508 31.823 0.028 0.000 1.069 421 V HN 0.796 nan 8.190 nan 0.000 0.484 422 A N 8.840 131.731 122.820 0.120 0.000 2.483 422 A HA 0.536 4.854 4.320 -0.003 0.000 0.238 422 A C -1.527 176.104 177.584 0.078 0.000 1.070 422 A CA -0.645 51.461 52.037 0.114 0.000 0.770 422 A CB -0.134 18.938 19.000 0.120 0.000 1.008 422 A HN 0.713 nan 8.150 nan 0.000 0.497 423 P HA 0.625 nan 4.420 nan 0.000 0.290 423 P C -1.149 176.196 177.300 0.076 0.000 1.275 423 P CA -0.427 62.716 63.100 0.072 0.000 0.841 423 P CB 1.749 33.480 31.700 0.050 0.000 1.042 424 V N 1.157 121.125 119.914 0.089 0.000 3.077 424 V HA 0.436 4.554 4.120 -0.003 0.000 0.299 424 V C -1.174 174.973 176.094 0.088 0.000 1.276 424 V CA -0.273 62.084 62.300 0.095 0.000 0.993 424 V CB 2.652 34.553 31.823 0.130 0.000 1.076 424 V HN 0.682 nan 8.190 nan 0.000 0.434 425 T N 6.838 121.438 114.554 0.076 0.000 2.792 425 T HA 0.633 4.982 4.350 -0.003 0.000 0.280 425 T C -0.724 174.022 174.700 0.077 0.000 0.990 425 T CA -0.289 61.848 62.100 0.063 0.000 0.960 425 T CB 1.011 69.906 68.868 0.044 0.000 0.939 425 T HN 0.442 nan 8.240 nan 0.000 0.439 426 I N 3.034 123.650 120.570 0.076 0.000 2.355 426 I HA 0.413 4.581 4.170 -0.003 0.000 0.288 426 I C 1.039 177.197 176.117 0.069 0.000 0.999 426 I CA -0.588 60.766 61.300 0.090 0.000 1.163 426 I CB 0.960 39.028 38.000 0.114 0.000 1.316 426 I HN 0.714 nan 8.210 nan 0.000 0.454 427 G N 4.575 113.419 108.800 0.072 0.000 2.572 427 G HA2 0.248 4.206 3.960 -0.003 0.000 0.261 427 G HA3 0.248 4.206 3.960 -0.003 0.000 0.261 427 G C -0.316 174.632 174.900 0.080 0.000 1.197 427 G CA -0.399 44.740 45.100 0.065 0.000 0.870 427 G HN 0.547 nan 8.290 nan 0.000 0.548 428 D N -0.423 120.024 120.400 0.079 0.000 2.472 428 D HA 0.323 4.962 4.640 -0.003 0.000 0.237 428 D C 1.521 177.896 176.300 0.126 0.000 1.141 428 D CA 1.488 55.552 54.000 0.106 0.000 0.875 428 D CB 0.664 41.529 40.800 0.108 0.000 1.192 428 D HN 0.852 nan 8.370 nan 0.000 0.450 429 G N 0.701 109.602 108.800 0.167 0.000 2.186 429 G HA2 -0.229 3.729 3.960 -0.003 0.000 0.266 429 G HA3 -0.229 3.729 3.960 -0.003 0.000 0.266 429 G C 0.593 175.633 174.900 0.234 0.000 0.982 429 G CA 0.577 45.794 45.100 0.196 0.000 0.670 429 G HN 0.874 nan 8.290 nan 0.000 0.533 430 A N -0.992 121.944 122.820 0.192 0.000 2.406 430 A HA 0.676 4.994 4.320 -0.003 0.000 0.243 430 A C -0.014 177.762 177.584 0.320 0.000 1.082 430 A CA 0.251 52.421 52.037 0.221 0.000 0.786 430 A CB 0.503 19.596 19.000 0.154 0.000 1.029 430 A HN 0.682 nan 8.150 nan 0.000 0.495 431 Y N -1.057 119.284 120.300 0.069 0.000 2.630 431 Y HA 0.578 5.126 4.550 -0.003 0.000 0.337 431 Y C 0.551 176.492 175.900 0.069 0.000 1.051 431 Y CA -0.475 57.667 58.100 0.071 0.000 1.121 431 Y CB 2.782 41.273 38.460 0.053 0.000 1.299 431 Y HN 0.628 nan 8.280 nan 0.000 0.498 432 T N 0.647 115.316 114.554 0.192 0.000 2.912 432 T HA 0.417 4.765 4.350 -0.003 0.000 0.299 432 T C -0.254 174.503 174.700 0.094 0.000 1.052 432 T CA -0.731 61.434 62.100 0.108 0.000 0.996 432 T CB 1.452 70.355 68.868 0.057 0.000 1.070 432 T HN 0.866 nan 8.240 nan 0.000 0.465 433 G N 1.098 109.932 108.800 0.057 0.000 2.569 433 G HA2 0.529 4.487 3.960 -0.003 0.000 0.249 433 G HA3 0.529 4.487 3.960 -0.003 0.000 0.249 433 G C 0.182 175.085 174.900 0.005 0.000 1.216 433 G CA -0.500 44.625 45.100 0.041 0.000 0.845 433 G HN 0.998 nan 8.290 nan 0.000 0.568 434 A N -0.377 122.450 122.820 0.010 0.000 2.511 434 A HA 0.536 4.855 4.320 -0.003 0.000 0.242 434 A C 1.519 179.084 177.584 -0.031 0.000 1.069 434 A CA 0.971 53.003 52.037 -0.008 0.000 0.763 434 A CB -0.312 18.690 19.000 0.003 0.000 1.001 434 A HN 2.607 nan 8.150 nan 0.000 0.498 435 G N 2.391 111.160 108.800 -0.052 0.000 2.198 435 G HA2 -0.162 3.796 3.960 -0.003 0.000 0.257 435 G HA3 -0.162 3.796 3.960 -0.003 0.000 0.257 435 G C 0.211 175.061 174.900 -0.082 0.000 1.042 435 G CA 0.388 45.450 45.100 -0.064 0.000 0.791 435 G HN 1.193 nan 8.290 nan 0.000 0.502 436 T N -0.129 114.356 114.554 -0.114 0.000 2.837 436 T HA 0.538 4.887 4.350 -0.003 0.000 0.285 436 T C 0.357 174.936 174.700 -0.202 0.000 0.984 436 T CA -0.447 61.572 62.100 -0.136 0.000 1.049 436 T CB 2.524 71.309 68.868 -0.138 0.000 0.947 436 T HN 0.437 nan 8.240 nan 0.000 0.472 437 V N 4.083 123.901 119.914 -0.160 0.000 2.328 437 V HA 0.267 4.386 4.120 -0.003 0.000 0.278 437 V C 0.045 176.046 176.094 -0.155 0.000 1.021 437 V CA -0.743 61.451 62.300 -0.176 0.000 0.838 437 V CB 1.262 33.019 31.823 -0.111 0.000 0.999 437 V HN 0.708 nan 8.190 nan 0.000 0.447 438 V N 7.155 126.942 119.914 -0.212 0.000 2.385 438 V HA 0.390 4.508 4.120 -0.003 0.000 0.269 438 V C 0.952 177.019 176.094 -0.045 0.000 1.043 438 V CA -0.154 62.074 62.300 -0.119 0.000 0.906 438 V CB 0.941 32.685 31.823 -0.132 0.000 0.995 438 V HN 0.857 nan 8.190 nan 0.000 0.467 439 R N 2.379 122.872 120.500 -0.012 0.000 2.469 439 R HA 0.334 4.672 4.340 -0.003 0.000 0.250 439 R C -0.047 176.268 176.300 0.025 0.000 0.909 439 R CA -0.150 55.955 56.100 0.008 0.000 1.050 439 R CB 1.149 31.447 30.300 -0.002 0.000 1.256 439 R HN 0.604 nan 8.270 nan 0.000 0.550 440 E N 0.340 120.557 120.200 0.027 0.000 2.369 440 E HA 0.192 4.540 4.350 -0.003 0.000 0.270 440 E C -1.467 175.162 176.600 0.048 0.000 0.909 440 E CA -0.698 55.722 56.400 0.034 0.000 0.775 440 E CB 1.471 31.184 29.700 0.023 0.000 1.270 440 E HN -0.107 nan 8.360 nan 0.000 0.445 441 D N 0.233 120.662 120.400 0.049 0.000 2.449 441 D HA 0.153 4.791 4.640 -0.003 0.000 0.236 441 D C -0.753 175.581 176.300 0.057 0.000 1.149 441 D CA 0.380 54.414 54.000 0.057 0.000 0.878 441 D CB 0.704 41.532 40.800 0.046 0.000 1.198 441 D HN -0.028 nan 8.370 nan 0.000 0.446 442 V N 3.845 123.801 119.914 0.069 0.000 2.443 442 V HA 0.287 4.405 4.120 -0.003 0.000 0.293 442 V C -2.187 173.948 176.094 0.068 0.000 1.021 442 V CA -1.619 60.724 62.300 0.071 0.000 0.848 442 V CB 1.886 33.766 31.823 0.095 0.000 0.998 442 V HN 0.425 nan 8.190 nan 0.000 0.424 443 P HA 0.222 nan 4.420 nan 0.000 0.270 443 P C -2.679 174.658 177.300 0.061 0.000 1.223 443 P CA -1.398 61.732 63.100 0.051 0.000 0.785 443 P CB -0.161 31.563 31.700 0.039 0.000 0.923 444 P HA 0.001 nan 4.420 nan 0.000 0.258 444 P C 0.939 178.277 177.300 0.064 0.000 1.172 444 P CA 1.657 64.795 63.100 0.064 0.000 0.762 444 P CB -0.299 31.431 31.700 0.051 0.000 0.764 445 G N 2.141 110.993 108.800 0.086 0.000 2.159 445 G HA2 -0.157 3.801 3.960 -0.003 0.000 0.256 445 G HA3 -0.157 3.801 3.960 -0.003 0.000 0.256 445 G C 0.390 175.323 174.900 0.054 0.000 0.977 445 G CA -0.024 45.119 45.100 0.072 0.000 0.652 445 G HN 0.844 nan 8.290 nan 0.000 0.531 446 A N -0.512 122.349 122.820 0.067 0.000 2.302 446 A HA 0.809 5.128 4.320 -0.003 0.000 0.285 446 A C 0.087 177.721 177.584 0.082 0.000 1.105 446 A CA -0.142 51.928 52.037 0.054 0.000 0.816 446 A CB 1.134 20.164 19.000 0.050 0.000 1.067 446 A HN 1.532 nan 8.150 nan 0.000 0.489 447 L N 2.204 123.459 121.223 0.054 0.000 2.257 447 L HA 0.651 4.990 4.340 -0.003 0.000 0.290 447 L C 0.314 177.221 176.870 0.062 0.000 1.044 447 L CA 0.011 54.899 54.840 0.080 0.000 0.810 447 L CB 0.822 42.904 42.059 0.037 0.000 1.193 447 L HN 0.729 nan 8.230 nan 0.000 0.425 448 A N 6.035 128.899 122.820 0.074 0.000 2.276 448 A HA 0.677 4.995 4.320 -0.003 0.000 0.300 448 A C -0.455 177.141 177.584 0.020 0.000 1.235 448 A CA -0.058 52.003 52.037 0.040 0.000 0.867 448 A CB 0.424 19.448 19.000 0.041 0.000 1.137 448 A HN 1.046 nan 8.150 nan 0.000 0.527 449 V N 0.481 120.397 119.914 0.004 0.000 3.102 449 V HA 0.930 5.049 4.120 -0.003 0.000 0.312 449 V C 0.318 176.399 176.094 -0.022 0.000 1.135 449 V CA 0.160 62.454 62.300 -0.009 0.000 1.022 449 V CB 1.611 33.434 31.823 -0.001 0.000 1.056 449 V HN 1.420 nan 8.190 nan 0.000 0.436 450 S N -0.055 115.627 115.700 -0.030 0.000 2.490 450 S HA 0.438 4.906 4.470 -0.003 0.000 0.280 450 S C 0.915 175.496 174.600 -0.032 0.000 1.048 450 S CA 0.526 58.706 58.200 -0.033 0.000 1.263 450 S CB -0.284 62.888 63.200 -0.047 0.000 1.053 450 S HN 2.202 nan 8.310 nan 0.000 0.538 451 A N 2.172 124.971 122.820 -0.034 0.000 2.531 451 A HA 0.615 4.934 4.320 -0.003 0.000 0.236 451 A C 0.962 178.531 177.584 -0.026 0.000 1.062 451 A CA 0.388 52.405 52.037 -0.032 0.000 0.760 451 A CB -0.573 18.408 19.000 -0.032 0.000 0.995 451 A HN 0.910 nan 8.150 nan 0.000 0.501 452 G N 1.451 110.235 108.800 -0.026 0.000 2.653 452 G HA2 0.512 4.470 3.960 -0.003 0.000 0.265 452 G HA3 0.512 4.470 3.960 -0.003 0.000 0.265 452 G C -1.895 172.992 174.900 -0.022 0.000 1.237 452 G CA -0.647 44.439 45.100 -0.023 0.000 0.946 452 G HN 0.759 nan 8.290 nan 0.000 0.522 453 P HA 0.265 nan 4.420 nan 0.000 0.282 453 P C -0.839 176.447 177.300 -0.023 0.000 1.259 453 P CA -0.679 62.410 63.100 -0.018 0.000 0.826 453 P CB 1.334 33.025 31.700 -0.014 0.000 1.064 454 Q N 1.380 121.166 119.800 -0.022 0.000 2.296 454 Q HA 0.193 4.531 4.340 -0.003 0.000 0.262 454 Q C -0.357 175.627 176.000 -0.027 0.000 0.981 454 Q CA -0.308 55.478 55.803 -0.028 0.000 0.905 454 Q CB 0.657 29.380 28.738 -0.025 0.000 1.186 454 Q HN 0.352 nan 8.270 nan 0.000 0.399 455 R N 3.696 124.175 120.500 -0.035 0.000 2.562 455 R HA 0.370 4.708 4.340 -0.003 0.000 0.298 455 R C -1.242 175.034 176.300 -0.040 0.000 0.961 455 R CA -0.662 55.419 56.100 -0.031 0.000 0.881 455 R CB 0.987 31.269 30.300 -0.030 0.000 1.159 455 R HN 0.624 nan 8.270 nan 0.000 0.450 456 N N 4.387 123.071 118.700 -0.027 0.000 2.421 456 N HA 0.315 5.053 4.740 -0.003 0.000 0.285 456 N C -0.746 174.758 175.510 -0.010 0.000 1.027 456 N CA -0.320 52.714 53.050 -0.026 0.000 0.918 456 N CB 1.586 40.066 38.487 -0.011 0.000 1.152 456 N HN 0.516 nan 8.380 nan 0.000 0.485 457 I N 1.605 122.168 120.570 -0.012 0.000 2.310 457 I HA 0.113 4.281 4.170 -0.003 0.000 0.287 457 I C 0.694 176.872 176.117 0.101 0.000 1.073 457 I CA -0.423 60.904 61.300 0.045 0.000 1.216 457 I CB 0.449 38.471 38.000 0.038 0.000 1.415 457 I HN 0.185 nan 8.210 nan 0.000 0.480 458 E N 6.153 126.401 120.200 0.080 0.000 2.413 458 E HA 0.007 4.355 4.350 -0.003 0.000 0.263 458 E C 0.281 176.946 176.600 0.108 0.000 1.015 458 E CA 0.138 56.586 56.400 0.080 0.000 0.916 458 E CB 0.343 30.074 29.700 0.050 0.000 0.947 458 E HN 0.531 nan 8.360 nan 0.000 0.440 459 N N 1.393 120.154 118.700 0.102 0.000 2.681 459 N HA -0.258 4.480 4.740 -0.003 0.000 0.250 459 N C 0.468 176.051 175.510 0.120 0.000 1.133 459 N CA 1.023 54.127 53.050 0.089 0.000 0.732 459 N CB -1.325 37.188 38.487 0.044 0.000 1.107 459 N HN 0.712 nan 8.380 nan 0.000 0.559 460 W N 1.399 122.697 121.300 -0.003 0.000 2.321 460 W HA -0.170 4.488 4.660 -0.003 0.000 0.306 460 W C 1.991 178.508 176.519 -0.004 0.000 1.217 460 W CA 2.055 59.397 57.345 -0.004 0.000 1.257 460 W CB -0.279 29.179 29.460 -0.004 0.000 1.145 460 W HN 0.039 nan 8.180 nan 0.000 0.509 461 V N 1.238 121.306 119.914 0.256 0.000 2.358 461 V HA -0.333 3.786 4.120 -0.003 0.000 0.246 461 V C 2.528 178.571 176.094 -0.084 0.000 1.047 461 V CA 2.140 64.506 62.300 0.110 0.000 1.035 461 V CB -1.208 30.750 31.823 0.224 0.000 0.658 461 V HN 0.249 nan 8.190 nan 0.000 0.452 462 Q N 0.530 120.304 119.800 -0.045 0.000 2.156 462 Q HA -0.288 4.050 4.340 -0.003 0.000 0.211 462 Q C 2.309 178.226 176.000 -0.138 0.000 0.995 462 Q CA 2.004 57.764 55.803 -0.072 0.000 0.877 462 Q CB -0.476 28.239 28.738 -0.038 0.000 0.920 462 Q HN 0.634 nan 8.270 nan 0.000 0.416 463 R N 0.182 120.556 120.500 -0.209 0.000 2.090 463 R HA 0.000 4.339 4.340 -0.003 0.000 0.219 463 R C 2.432 178.505 176.300 -0.379 0.000 1.100 463 R CA 1.374 57.322 56.100 -0.254 0.000 0.991 463 R CB -0.137 30.022 30.300 -0.235 0.000 0.893 463 R HN 0.222 nan 8.270 nan 0.000 0.443 464 K N 1.165 121.162 120.400 -0.672 0.000 2.393 464 K HA 0.144 4.463 4.320 -0.003 0.000 0.193 464 K C 0.804 177.112 176.600 -0.487 0.000 1.026 464 K CA 0.460 56.279 56.287 -0.780 0.000 1.064 464 K CB 0.311 31.861 32.500 -1.583 0.000 0.833 464 K HN -0.037 nan 8.250 nan 0.000 0.521 465 R N 0.769 121.065 120.500 -0.339 0.000 2.684 465 R HA 0.192 4.530 4.340 -0.003 0.000 0.252 465 R C -3.214 173.025 176.300 -0.101 0.000 1.628 465 R CA -1.755 54.250 56.100 -0.158 0.000 1.622 465 R CB 0.845 31.100 30.300 -0.074 0.000 1.418 465 R HN 0.146 nan 8.270 nan 0.000 0.697 466 P HA 0.302 nan 4.420 nan 0.000 0.277 466 P C 0.034 177.309 177.300 -0.041 0.000 1.354 466 P CA 0.236 63.297 63.100 -0.066 0.000 0.891 466 P CB 0.923 32.581 31.700 -0.069 0.000 1.058 467 G N 1.383 110.167 108.800 -0.027 0.000 3.160 467 G HA2 0.310 4.268 3.960 -0.003 0.000 0.573 467 G HA3 0.310 4.268 3.960 -0.003 0.000 0.573 467 G C -0.352 174.544 174.900 -0.006 0.000 1.286 467 G CA 0.039 45.130 45.100 -0.016 0.000 1.151 467 G HN 0.654 nan 8.290 nan 0.000 0.555 468 S N 2.615 118.314 115.700 -0.001 0.000 4.149 468 S HA -0.111 4.357 4.470 -0.003 0.000 0.626 468 S C -0.896 173.712 174.600 0.013 0.000 1.875 468 S CA 1.540 59.744 58.200 0.006 0.000 4.208 468 S CB -1.490 61.716 63.200 0.009 0.000 0.206 468 S HN 1.025 nan 8.310 nan 0.000 0.481 469 P HA -0.028 nan 4.420 nan 0.000 0.222 469 P C 0.549 177.866 177.300 0.029 0.000 1.155 469 P CA 2.316 65.436 63.100 0.033 0.000 0.890 469 P CB -0.417 31.316 31.700 0.056 0.000 0.790 470 A N -0.507 122.324 122.820 0.019 0.000 2.473 470 A HA 0.438 4.756 4.320 -0.003 0.000 0.282 470 A C 0.492 178.078 177.584 0.004 0.000 1.163 470 A CA 0.365 52.406 52.037 0.007 0.000 0.827 470 A CB -1.430 17.562 19.000 -0.012 0.000 1.098 470 A HN 0.364 nan 8.150 nan 0.000 0.515 471 A N 2.745 125.570 122.820 0.008 0.000 2.598 471 A HA -0.009 4.309 4.320 -0.003 0.000 0.261 471 A C 0.139 177.729 177.584 0.009 0.000 1.326 471 A CA 0.641 52.682 52.037 0.006 0.000 0.710 471 A CB -2.229 16.772 19.000 0.001 0.000 1.147 471 A HN 0.949 nan 8.150 nan 0.000 0.337 472 Q N 0.698 120.505 119.800 0.012 0.000 2.860 472 Q HA 0.770 5.108 4.340 -0.003 0.000 0.207 472 Q C 1.927 177.937 176.000 0.017 0.000 1.139 472 Q CA 1.461 57.272 55.803 0.013 0.000 0.661 472 Q CB -0.110 28.636 28.738 0.013 0.000 4.670 472 Q HN 2.435 nan 8.270 nan 0.000 0.380 473 A N -1.795 121.036 122.820 0.019 0.000 1.710 473 A HA -0.261 4.058 4.320 -0.003 0.000 0.225 473 A C 1.069 178.662 177.584 0.015 0.000 0.527 473 A CA 1.245 53.295 52.037 0.021 0.000 1.123 473 A CB -2.420 16.596 19.000 0.027 0.000 1.445 473 A HN 0.451 nan 8.150 nan 0.000 0.714 474 S N 0.000 115.706 115.700 0.011 0.000 2.498 474 S HA 0.000 4.468 4.470 -0.003 0.000 0.327 474 S CA 0.000 58.204 58.200 0.007 0.000 1.107 474 S CB 0.000 63.202 63.200 0.004 0.000 0.593 474 S HN 0.000 nan 8.310 nan 0.000 0.517