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 2cmd_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKVAVLGAAG GIGQALALLL KTQLPSGSEL SLYDIAPVTP GVAVDLSHIP DATA SEQUENCE TAVKIKGFSG EDATPALEGA DVVLISAGVR RKPGMDRSDL FNVNAGIVKN DATA SEQUENCE LVQQVAKTCP KACIGIITNP VNTTVAIAAE VLKKAGVYDK NKLFGVTTLD DATA SEQUENCE IIRSNTFVAE LKGKQPGEVE VPVIGGHSGV TILPLLSQVP GVSFTEQEVA DATA SEQUENCE DLTKRIQNAG TEVVEAKAGG GSATLSMGQA AARFGLSLVR ALQGEQGVVE DATA SEQUENCE CAYVEGDGQY ARFFSQPLLL GKNGVEERKS IGTLSAFEQN ALEGMLDTLK DATA SEQUENCE KDIALGQEFV NK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.300 55.300 0.001 0.000 0.988 1 M CB 0.000 32.595 32.600 -0.009 0.000 1.302 2 K N 3.917 124.325 120.400 0.012 0.000 2.274 2 K HA 0.782 nan 4.320 nan 0.000 0.262 2 K C -2.037 174.576 176.600 0.023 0.000 0.961 2 K CA -1.566 54.734 56.287 0.022 0.000 0.833 2 K CB 2.726 35.242 32.500 0.026 0.000 1.102 2 K HN 0.376 8.983 8.250 0.011 -0.351 0.436 3 V N 6.738 126.668 119.914 0.028 0.000 2.384 3 V HA 0.622 nan 4.120 nan 0.000 0.287 3 V C -1.683 174.441 176.094 0.051 0.000 1.020 3 V CA -1.551 60.768 62.300 0.031 0.000 0.850 3 V CB 2.028 33.864 31.823 0.021 0.000 0.987 3 V HN 0.753 8.961 8.190 0.031 0.000 0.436 4 A N 7.805 130.658 122.820 0.056 0.000 2.292 4 A HA 0.813 nan 4.320 nan 0.000 0.319 4 A C -1.927 175.708 177.584 0.085 0.000 1.206 4 A CA -1.735 50.348 52.037 0.076 0.000 0.835 4 A CB 1.821 20.856 19.000 0.059 0.000 1.164 4 A HN 0.792 8.971 8.150 0.049 0.000 0.505 5 V N 4.587 124.563 119.914 0.103 0.000 2.328 5 V HA 0.532 nan 4.120 nan 0.000 0.278 5 V C -1.238 174.940 176.094 0.139 0.000 1.021 5 V CA -0.792 61.567 62.300 0.098 0.000 0.838 5 V CB 0.376 32.243 31.823 0.073 0.000 0.999 5 V HN 0.698 8.957 8.190 0.115 0.000 0.447 6 L N 6.350 127.659 121.223 0.142 0.000 2.257 6 L HA 0.551 nan 4.340 nan 0.000 0.290 6 L C 0.060 177.014 176.870 0.140 0.000 1.044 6 L CA -1.137 53.832 54.840 0.214 0.000 0.810 6 L CB -0.112 42.062 42.059 0.191 0.000 1.193 6 L HN 0.717 9.013 8.230 0.111 0.000 0.425 7 G N 2.622 111.485 108.800 0.104 0.000 2.173 7 G HA2 -0.367 nan 3.960 nan 0.000 0.174 7 G HA3 -0.367 nan 3.960 nan 0.000 0.174 7 G C -0.357 174.545 174.900 0.003 0.000 1.025 7 G CA 0.079 45.197 45.100 0.029 0.000 0.706 7 G HN 1.027 9.394 8.290 0.127 0.000 0.499 8 A N -0.064 122.753 122.820 -0.006 0.000 2.119 8 A HA 0.067 nan 4.320 nan 0.000 0.217 8 A C -0.152 177.415 177.584 -0.028 0.000 1.153 8 A CA 1.754 53.788 52.037 -0.005 0.000 0.692 8 A CB -0.508 18.498 19.000 0.010 0.000 0.799 8 A HN -0.136 8.009 8.150 -0.009 0.000 0.458 9 A N -2.723 120.067 122.820 -0.049 0.000 2.178 9 A HA 0.130 nan 4.320 nan 0.000 0.211 9 A C 0.663 178.225 177.584 -0.036 0.000 1.157 9 A CA 0.157 52.164 52.037 -0.050 0.000 0.780 9 A CB 0.581 19.540 19.000 -0.069 0.000 0.828 9 A HN -0.395 7.934 8.150 -0.065 -0.218 0.476 10 G N -1.359 107.424 108.800 -0.029 0.000 2.653 10 G HA2 -0.035 nan 3.960 nan 0.000 0.265 10 G HA3 -0.035 nan 3.960 nan 0.000 0.265 10 G C 0.473 175.363 174.900 -0.017 0.000 1.237 10 G CA -1.141 43.946 45.100 -0.022 0.000 0.946 10 G HN -0.861 7.362 8.290 -0.028 0.049 0.522 11 G N -0.471 108.320 108.800 -0.014 0.000 2.446 11 G HA2 -0.347 nan 3.960 nan 0.000 0.217 11 G HA3 -0.347 nan 3.960 nan 0.000 0.217 11 G C 1.328 176.222 174.900 -0.010 0.000 1.168 11 G CA 1.708 46.801 45.100 -0.012 0.000 0.771 11 G HN 0.506 8.788 8.290 -0.014 0.000 0.551 12 I N 2.035 122.600 120.570 -0.009 0.000 2.179 12 I HA -0.434 nan 4.170 nan 0.000 0.242 12 I C 1.789 177.903 176.117 -0.004 0.000 1.088 12 I CA 2.787 64.082 61.300 -0.008 0.000 1.357 12 I CB -0.401 37.593 38.000 -0.010 0.000 1.051 12 I HN -0.376 7.828 8.210 -0.010 0.000 0.409 13 G N -1.462 107.336 108.800 -0.003 0.000 2.422 13 G HA2 -0.387 nan 3.960 nan 0.000 0.218 13 G HA3 -0.387 nan 3.960 nan 0.000 0.218 13 G C 1.384 176.283 174.900 -0.002 0.000 1.146 13 G CA 1.960 47.061 45.100 0.002 0.000 0.769 13 G HN 0.291 8.577 8.290 -0.006 0.000 0.547 14 Q N 1.910 121.704 119.800 -0.010 0.000 2.083 14 Q HA -0.288 nan 4.340 nan 0.000 0.198 14 Q C 2.374 178.368 176.000 -0.009 0.000 0.969 14 Q CA 2.929 58.724 55.803 -0.013 0.000 0.838 14 Q CB 0.015 28.742 28.738 -0.018 0.000 0.900 14 Q HN -0.052 8.211 8.270 -0.012 0.000 0.436 15 A N 0.984 123.800 122.820 -0.008 0.000 1.877 15 A HA -0.250 nan 4.320 nan 0.000 0.216 15 A C 1.983 179.566 177.584 -0.003 0.000 1.186 15 A CA 3.116 55.150 52.037 -0.006 0.000 0.620 15 A CB -0.901 18.095 19.000 -0.006 0.000 0.822 15 A HN -0.561 7.584 8.150 -0.008 0.000 0.443 16 L N -1.686 119.537 121.223 0.000 0.000 2.012 16 L HA -0.435 nan 4.340 nan 0.000 0.210 16 L C 1.807 178.681 176.870 0.006 0.000 1.073 16 L CA 2.859 57.703 54.840 0.006 0.000 0.748 16 L CB -0.273 41.794 42.059 0.013 0.000 0.891 16 L HN 0.074 8.304 8.230 -0.001 0.000 0.431 17 A N -0.975 121.848 122.820 0.005 0.000 1.902 17 A HA -0.338 nan 4.320 nan 0.000 0.217 17 A C 2.042 179.625 177.584 -0.000 0.000 1.181 17 A CA 3.137 55.177 52.037 0.005 0.000 0.623 17 A CB -0.958 18.043 19.000 0.001 0.000 0.818 17 A HN -0.049 8.103 8.150 0.004 0.000 0.443 18 L N -1.438 119.782 121.223 -0.004 0.000 2.012 18 L HA -0.374 nan 4.340 nan 0.000 0.210 18 L C 2.193 179.061 176.870 -0.003 0.000 1.073 18 L CA 3.218 58.055 54.840 -0.005 0.000 0.748 18 L CB -0.174 41.881 42.059 -0.007 0.000 0.891 18 L HN -0.286 7.940 8.230 -0.005 0.000 0.431 19 L N -1.936 119.285 121.223 -0.002 0.000 2.046 19 L HA -0.437 nan 4.340 nan 0.000 0.208 19 L C 2.405 179.274 176.870 -0.002 0.000 1.077 19 L CA 3.129 57.968 54.840 -0.002 0.000 0.747 19 L CB -0.273 41.785 42.059 -0.002 0.000 0.896 19 L HN -0.424 7.805 8.230 -0.002 0.000 0.432 20 L N -2.278 118.945 121.223 -0.000 0.000 2.093 20 L HA -0.445 nan 4.340 nan 0.000 0.208 20 L C 2.230 179.100 176.870 0.001 0.000 1.085 20 L CA 3.044 57.883 54.840 -0.000 0.000 0.755 20 L CB -0.650 41.412 42.059 0.005 0.000 0.904 20 L HN 0.224 8.455 8.230 0.002 0.000 0.435 21 K N 0.666 121.067 120.400 0.002 0.000 2.057 21 K HA -0.231 nan 4.320 nan 0.000 0.207 21 K C 1.731 178.332 176.600 0.002 0.000 1.049 21 K CA 2.943 59.232 56.287 0.003 0.000 0.931 21 K CB -0.218 32.283 32.500 0.001 0.000 0.714 21 K HN 0.106 8.358 8.250 0.002 0.000 0.440 22 T N -6.772 107.782 114.554 0.001 0.000 3.081 22 T HA 0.108 nan 4.350 nan 0.000 0.255 22 T C 1.612 176.311 174.700 -0.002 0.000 1.113 22 T CA 1.643 63.743 62.100 0.000 0.000 1.082 22 T CB -0.087 68.781 68.868 0.000 0.000 0.939 22 T HN -0.457 7.773 8.240 -0.000 0.010 0.506 23 Q N -1.182 118.615 119.800 -0.005 0.000 2.245 23 Q HA 0.088 nan 4.340 nan 0.000 0.250 23 Q C 0.393 176.386 176.000 -0.012 0.000 0.830 23 Q CA -0.336 55.462 55.803 -0.009 0.000 0.950 23 Q CB 1.957 30.689 28.738 -0.011 0.000 1.124 23 Q HN -0.296 7.810 8.270 -0.004 0.162 0.502 24 L N 2.145 123.361 121.223 -0.010 0.000 2.499 24 L HA -0.048 nan 4.340 nan 0.000 0.281 24 L C -1.384 175.479 176.870 -0.011 0.000 1.234 24 L CA -0.834 53.998 54.840 -0.013 0.000 0.839 24 L CB -0.561 41.494 42.059 -0.008 0.000 1.104 24 L HN -0.308 7.918 8.230 -0.007 0.000 0.500 25 P HA -0.012 nan 4.420 nan 0.000 0.267 25 P C -1.023 176.274 177.300 -0.005 0.000 1.200 25 P CA -0.420 62.673 63.100 -0.011 0.000 0.772 25 P CB 0.638 32.330 31.700 -0.014 0.000 0.855 26 S N 1.687 117.385 115.700 -0.004 0.000 2.561 26 S HA -0.421 nan 4.470 nan 0.000 0.294 26 S C 0.833 175.433 174.600 0.000 0.000 1.294 26 S CA 2.464 60.664 58.200 -0.001 0.000 1.055 26 S CB -0.074 63.126 63.200 -0.001 0.000 0.819 26 S HN -0.033 8.275 8.310 -0.005 0.000 0.503 27 G N 5.526 114.328 108.800 0.003 0.000 2.195 27 G HA2 -0.407 nan 3.960 nan 0.000 0.246 27 G HA3 -0.407 nan 3.960 nan 0.000 0.246 27 G C -0.347 174.557 174.900 0.006 0.000 0.984 27 G CA -0.174 44.928 45.100 0.005 0.000 0.633 27 G HN 0.771 9.064 8.290 0.004 0.000 0.525 28 S N 1.867 117.570 115.700 0.005 0.000 2.593 28 S HA 0.066 nan 4.470 nan 0.000 0.269 28 S C -1.366 173.243 174.600 0.015 0.000 1.334 28 S CA 1.401 59.605 58.200 0.007 0.000 1.015 28 S CB 1.206 64.407 63.200 0.003 0.000 0.912 28 S HN -0.456 7.773 8.310 0.003 0.082 0.541 29 E N -0.101 120.112 120.200 0.020 0.000 2.238 29 E HA 0.771 nan 4.350 nan 0.000 0.267 29 E C -2.246 174.377 176.600 0.038 0.000 0.887 29 E CA -0.897 55.522 56.400 0.032 0.000 0.769 29 E CB 3.690 33.414 29.700 0.040 0.000 1.187 29 E HN 0.197 8.568 8.360 0.018 0.000 0.416 30 L N 4.230 125.480 121.223 0.046 0.000 2.376 30 L HA 0.693 nan 4.340 nan 0.000 0.275 30 L C -2.713 174.208 176.870 0.085 0.000 0.987 30 L CA -1.468 53.404 54.840 0.053 0.000 0.828 30 L CB 3.395 45.475 42.059 0.036 0.000 1.249 30 L HN 0.857 9.114 8.230 0.045 0.000 0.409 31 S N 5.848 121.620 115.700 0.119 0.000 2.473 31 S HA 0.807 nan 4.470 nan 0.000 0.307 31 S C -1.529 173.192 174.600 0.202 0.000 1.094 31 S CA -1.762 56.560 58.200 0.204 0.000 1.070 31 S CB 1.710 65.079 63.200 0.280 0.000 1.019 31 S HN 0.703 9.074 8.310 0.101 0.000 0.480 32 L N 2.919 124.272 121.223 0.216 0.000 2.317 32 L HA 0.926 nan 4.340 nan 0.000 0.281 32 L C -1.960 175.081 176.870 0.285 0.000 1.024 32 L CA -0.834 54.111 54.840 0.175 0.000 0.810 32 L CB 2.193 44.292 42.059 0.066 0.000 1.240 32 L HN 0.834 9.188 8.230 0.206 0.000 0.427 33 Y N 4.303 124.682 120.300 0.131 0.000 2.421 33 Y HA 0.532 nan 4.550 nan 0.000 0.339 33 Y C -3.115 172.829 175.900 0.073 0.000 0.996 33 Y CA -1.275 56.905 58.100 0.132 0.000 1.046 33 Y CB 3.650 42.172 38.460 0.103 0.000 1.226 33 Y HN 0.729 9.144 8.280 0.224 0.000 0.445 34 D N 5.664 125.507 120.400 -0.927 0.000 2.609 34 D HA 0.233 nan 4.640 nan 0.000 0.239 34 D C -0.663 175.188 176.300 -0.749 0.000 1.229 34 D CA -1.309 52.237 54.000 -0.756 0.000 0.808 34 D CB 4.318 44.945 40.800 -0.287 0.000 1.448 34 D HN -0.089 7.799 8.370 -0.803 0.000 0.433 35 I N -4.011 116.313 120.570 -0.410 0.000 2.676 35 I HA -0.016 nan 4.170 nan 0.000 0.259 35 I C -0.459 175.585 176.117 -0.123 0.000 1.194 35 I CA 1.059 62.249 61.300 -0.183 0.000 1.473 35 I CB -0.100 37.882 38.000 -0.031 0.000 1.096 35 I HN 0.207 8.238 8.210 -0.299 0.000 0.443 36 A N 1.666 124.408 122.820 -0.130 0.000 2.546 36 A HA 0.018 nan 4.320 nan 0.000 0.243 36 A C -0.836 176.697 177.584 -0.084 0.000 1.063 36 A CA -1.098 50.886 52.037 -0.088 0.000 0.757 36 A CB -0.898 18.053 19.000 -0.082 0.000 0.991 36 A HN -0.508 7.670 8.150 -0.159 -0.123 0.503 37 P HA -0.050 nan 4.420 nan 0.000 0.236 37 P C 0.411 177.682 177.300 -0.048 0.000 1.177 37 P CA 1.428 64.502 63.100 -0.043 0.000 0.773 37 P CB 0.041 31.725 31.700 -0.027 0.000 0.878 38 V N -0.702 119.180 119.914 -0.052 0.000 3.078 38 V HA -0.161 nan 4.120 nan 0.000 0.265 38 V C 1.418 177.473 176.094 -0.066 0.000 1.122 38 V CA 1.922 64.190 62.300 -0.054 0.000 1.141 38 V CB -0.427 31.366 31.823 -0.049 0.000 0.735 38 V HN 0.049 8.171 8.190 -0.052 0.037 0.498 39 T N 2.163 116.670 114.554 -0.078 0.000 2.720 39 T HA -0.102 nan 4.350 nan 0.000 0.268 39 T C -0.978 173.666 174.700 -0.092 0.000 1.037 39 T CA 6.060 68.108 62.100 -0.087 0.000 1.144 39 T CB -2.566 66.234 68.868 -0.114 0.000 0.864 39 T HN -0.301 7.821 8.240 -0.081 0.070 0.444 40 P HA -0.123 nan 4.420 nan 0.000 0.218 40 P C 1.333 178.565 177.300 -0.114 0.000 1.149 40 P CA 2.695 65.716 63.100 -0.131 0.000 0.817 40 P CB -0.588 31.039 31.700 -0.122 0.000 0.785 41 G N -2.472 106.273 108.800 -0.091 0.000 2.448 41 G HA2 -0.192 nan 3.960 nan 0.000 0.218 41 G HA3 -0.192 nan 3.960 nan 0.000 0.218 41 G C 1.379 176.220 174.900 -0.099 0.000 1.135 41 G CA 1.592 46.638 45.100 -0.090 0.000 0.784 41 G HN -0.521 7.721 8.290 -0.080 0.000 0.543 42 V N 3.055 122.917 119.914 -0.087 0.000 2.427 42 V HA -0.363 nan 4.120 nan 0.000 0.248 42 V C 1.770 177.809 176.094 -0.092 0.000 1.051 42 V CA 3.474 65.725 62.300 -0.081 0.000 1.048 42 V CB -1.026 30.759 31.823 -0.063 0.000 0.666 42 V HN -0.324 7.734 8.190 -0.082 0.082 0.456 43 A N -0.957 121.803 122.820 -0.099 0.000 1.898 43 A HA -0.257 nan 4.320 nan 0.000 0.216 43 A C 1.964 179.471 177.584 -0.129 0.000 1.181 43 A CA 3.547 55.522 52.037 -0.103 0.000 0.620 43 A CB -0.719 18.209 19.000 -0.120 0.000 0.819 43 A HN -0.371 7.718 8.150 -0.101 0.000 0.442 44 V N -0.855 118.966 119.914 -0.155 0.000 2.343 44 V HA -0.525 nan 4.120 nan 0.000 0.247 44 V C 1.716 177.563 176.094 -0.412 0.000 1.051 44 V CA 4.329 66.498 62.300 -0.219 0.000 1.036 44 V CB -1.019 30.698 31.823 -0.176 0.000 0.654 44 V HN -0.157 7.950 8.190 -0.140 0.000 0.451 45 D N -0.636 119.579 120.400 -0.308 0.000 2.127 45 D HA -0.303 nan 4.640 nan 0.000 0.190 45 D C 2.611 178.774 176.300 -0.228 0.000 1.000 45 D CA 3.062 56.889 54.000 -0.289 0.000 0.839 45 D CB -0.147 40.564 40.800 -0.148 0.000 0.955 45 D HN -0.485 7.756 8.370 -0.215 0.000 0.446 46 L N -2.039 119.101 121.223 -0.138 0.000 2.141 46 L HA -0.284 nan 4.340 nan 0.000 0.209 46 L C 2.334 179.181 176.870 -0.040 0.000 1.094 46 L CA 2.515 57.314 54.840 -0.068 0.000 0.763 46 L CB -0.037 41.995 42.059 -0.046 0.000 0.908 46 L HN -0.325 7.826 8.230 -0.131 0.000 0.437 47 S N -0.831 114.830 115.700 -0.066 0.000 2.500 47 S HA -0.274 nan 4.470 nan 0.000 0.239 47 S C 1.435 176.135 174.600 0.167 0.000 0.989 47 S CA 2.565 60.780 58.200 0.024 0.000 0.951 47 S CB -0.362 62.849 63.200 0.018 0.000 0.759 47 S HN 0.088 8.223 8.310 -0.125 0.100 0.523 48 H N -0.126 118.935 119.070 -0.014 0.000 2.539 48 H HA 0.008 nan 4.556 nan 0.000 0.267 48 H C 0.231 175.553 175.328 -0.009 0.000 0.982 48 H CA -0.595 55.446 56.048 -0.012 0.000 1.146 48 H CB 0.433 30.188 29.762 -0.012 0.000 1.382 48 H HN -0.708 7.503 8.280 -0.001 0.068 0.577 49 I N 2.590 123.222 120.570 0.104 0.000 2.342 49 I HA 0.161 nan 4.170 nan 0.000 0.291 49 I C -1.467 174.672 176.117 0.037 0.000 1.010 49 I CA -2.972 58.360 61.300 0.054 0.000 1.308 49 I CB 1.038 39.056 38.000 0.031 0.000 1.400 49 I HN -0.364 7.736 8.210 0.087 0.163 0.488 50 P HA 0.101 nan 4.420 nan 0.000 0.244 50 P C -1.438 175.869 177.300 0.011 0.000 1.769 50 P CA -0.379 62.730 63.100 0.015 0.000 1.102 50 P CB -1.756 29.948 31.700 0.007 0.000 1.937 51 T N -1.668 112.894 114.554 0.013 0.000 2.906 51 T HA 0.255 nan 4.350 nan 0.000 0.295 51 T C -0.366 174.339 174.700 0.009 0.000 1.075 51 T CA -1.781 60.324 62.100 0.009 0.000 1.005 51 T CB 3.313 72.186 68.868 0.007 0.000 1.136 51 T HN -0.171 8.022 8.240 0.018 0.057 0.498 52 A N 2.398 125.222 122.820 0.007 0.000 3.135 52 A HA 0.342 nan 4.320 nan 0.000 0.253 52 A C -1.829 175.760 177.584 0.008 0.000 1.638 52 A CA -0.141 51.900 52.037 0.007 0.000 1.295 52 A CB -0.750 18.253 19.000 0.005 0.000 1.106 52 A HN 0.621 8.774 8.150 0.005 0.000 0.648 53 V N 0.361 120.281 119.914 0.011 0.000 2.447 53 V HA 0.177 nan 4.120 nan 0.000 0.292 53 V C -1.004 175.099 176.094 0.016 0.000 1.021 53 V CA -0.825 61.482 62.300 0.012 0.000 0.850 53 V CB 2.007 33.836 31.823 0.010 0.000 1.005 53 V HN -0.165 7.962 8.190 0.012 0.070 0.426 54 K N 8.053 128.464 120.400 0.019 0.000 2.368 54 K HA 0.222 nan 4.320 nan 0.000 0.282 54 K C -1.791 174.823 176.600 0.023 0.000 1.035 54 K CA 0.344 56.644 56.287 0.021 0.000 0.973 54 K CB 1.151 33.667 32.500 0.026 0.000 0.957 54 K HN -0.055 8.207 8.250 0.019 0.000 0.474 55 I N 3.235 123.814 120.570 0.014 0.000 2.582 55 I HA 0.513 nan 4.170 nan 0.000 0.292 55 I C -1.644 174.462 176.117 -0.020 0.000 1.066 55 I CA -1.621 59.684 61.300 0.008 0.000 1.053 55 I CB 2.974 40.972 38.000 -0.004 0.000 1.241 55 I HN 0.097 8.313 8.210 0.010 0.000 0.421 56 K N 7.314 127.700 120.400 -0.023 0.000 2.469 56 K HA 0.492 nan 4.320 nan 0.000 0.254 56 K C -1.875 174.589 176.600 -0.227 0.000 0.939 56 K CA -2.006 54.189 56.287 -0.153 0.000 0.812 56 K CB 3.838 36.253 32.500 -0.141 0.000 1.301 56 K HN 0.401 8.670 8.250 0.032 0.000 0.433 57 G N 0.180 108.716 108.800 -0.440 0.000 2.495 57 G HA2 0.686 nan 3.960 nan 0.000 0.318 57 G HA3 0.686 nan 3.960 nan 0.000 0.318 57 G C -1.848 172.705 174.900 -0.579 0.000 1.257 57 G CA -1.025 43.880 45.100 -0.324 0.000 0.962 57 G HN 0.009 8.013 8.290 -0.477 0.000 0.483 58 F N 1.144 121.119 119.950 0.041 0.000 2.576 58 F HA 0.380 nan 4.527 nan 0.000 0.313 58 F C -1.334 174.471 175.800 0.009 0.000 1.078 58 F CA -1.423 56.625 58.000 0.079 0.000 0.921 58 F CB 4.692 43.806 39.000 0.190 0.000 1.232 58 F HN 0.588 8.892 8.300 0.173 0.100 0.459 59 S N -0.371 115.448 115.700 0.198 0.000 2.745 59 S HA 0.360 nan 4.470 nan 0.000 0.306 59 S C -0.227 174.461 174.600 0.145 0.000 1.137 59 S CA -2.029 56.192 58.200 0.035 0.000 0.900 59 S CB 1.872 65.071 63.200 -0.002 0.000 1.176 59 S HN 0.064 8.546 8.310 0.287 0.000 0.520 60 G N 1.000 109.849 108.800 0.081 0.000 2.660 60 G HA2 -0.175 nan 3.960 nan 0.000 0.247 60 G HA3 -0.175 nan 3.960 nan 0.000 0.247 60 G C -0.454 174.576 174.900 0.217 0.000 1.328 60 G CA -0.086 45.094 45.100 0.133 0.000 0.884 60 G HN -0.292 7.994 8.290 -0.008 0.000 0.531 61 E N 0.193 120.491 120.200 0.163 0.000 2.371 61 E HA -0.079 nan 4.350 nan 0.000 0.194 61 E C -0.775 175.897 176.600 0.119 0.000 1.012 61 E CA 0.876 57.365 56.400 0.149 0.000 0.860 61 E CB 0.299 30.045 29.700 0.078 0.000 0.811 61 E HN 0.159 8.590 8.360 0.118 0.000 0.502 62 D N -1.251 119.208 120.400 0.098 0.000 2.349 62 D HA 0.113 nan 4.640 nan 0.000 0.232 62 D C -0.343 175.857 176.300 -0.166 0.000 1.071 62 D CA -0.723 53.256 54.000 -0.034 0.000 0.832 62 D CB 0.786 41.575 40.800 -0.019 0.000 1.086 62 D HN -0.563 7.844 8.370 0.155 0.056 0.504 63 A N 5.538 128.070 122.820 -0.480 0.000 2.218 63 A HA 0.259 nan 4.320 nan 0.000 0.209 63 A C 1.141 178.454 177.584 -0.452 0.000 1.168 63 A CA 1.023 52.555 52.037 -0.842 0.000 0.804 63 A CB 0.811 19.090 19.000 -1.201 0.000 0.834 63 A HN 0.485 8.748 8.150 -0.388 -0.346 0.482 64 T N 2.004 116.380 114.554 -0.297 0.000 2.624 64 T HA -0.313 nan 4.350 nan 0.000 0.266 64 T C -1.113 173.415 174.700 -0.286 0.000 1.050 64 T CA 6.429 68.392 62.100 -0.229 0.000 1.163 64 T CB -2.564 66.213 68.868 -0.152 0.000 0.861 64 T HN -0.388 7.887 8.240 -0.256 -0.188 0.443 65 P HA -0.145 nan 4.420 nan 0.000 0.216 65 P C 0.164 176.989 177.300 -0.792 0.000 1.150 65 P CA 2.578 65.328 63.100 -0.583 0.000 0.837 65 P CB -0.670 30.561 31.700 -0.781 0.000 0.786 66 A N -4.736 117.576 122.820 -0.846 0.000 2.019 66 A HA -0.133 nan 4.320 nan 0.000 0.219 66 A C 0.863 178.344 177.584 -0.173 0.000 1.164 66 A CA 2.150 53.944 52.037 -0.404 0.000 0.644 66 A CB -0.571 18.379 19.000 -0.084 0.000 0.805 66 A HN -0.429 7.250 8.150 -0.786 0.000 0.449 67 L N -4.736 116.368 121.223 -0.198 0.000 2.416 67 L HA 0.043 nan 4.340 nan 0.000 0.216 67 L C 0.269 177.090 176.870 -0.081 0.000 1.098 67 L CA 0.094 54.867 54.840 -0.113 0.000 0.840 67 L CB 0.469 42.453 42.059 -0.124 0.000 0.981 67 L HN -0.828 7.068 8.230 -0.276 0.169 0.462 68 E N -0.428 119.711 120.200 -0.102 0.000 2.694 68 E HA -0.302 nan 4.350 nan 0.000 0.250 68 E C 1.125 177.707 176.600 -0.031 0.000 0.963 68 E CA 1.392 57.754 56.400 -0.063 0.000 0.949 68 E CB -0.906 28.753 29.700 -0.068 0.000 0.911 68 E HN -0.628 7.640 8.360 -0.153 0.000 0.500 69 G N 2.777 111.567 108.800 -0.017 0.000 2.166 69 G HA2 -0.489 nan 3.960 nan 0.000 0.260 69 G HA3 -0.489 nan 3.960 nan 0.000 0.260 69 G C -0.906 173.997 174.900 0.004 0.000 0.986 69 G CA 0.176 45.274 45.100 -0.003 0.000 0.683 69 G HN 0.801 9.079 8.290 -0.020 0.000 0.527 70 A N -0.275 122.546 122.820 0.002 0.000 2.450 70 A HA -0.023 nan 4.320 nan 0.000 0.255 70 A C -1.039 176.556 177.584 0.018 0.000 1.096 70 A CA 0.192 52.237 52.037 0.013 0.000 0.778 70 A CB 0.639 19.647 19.000 0.013 0.000 1.031 70 A HN -0.553 7.537 8.150 -0.009 0.055 0.494 71 D N 2.190 122.602 120.400 0.020 0.000 2.277 71 D HA 0.171 nan 4.640 nan 0.000 0.209 71 D C -0.328 175.990 176.300 0.031 0.000 0.970 71 D CA 2.624 56.637 54.000 0.022 0.000 0.874 71 D CB 1.682 42.489 40.800 0.011 0.000 0.982 71 D HN -0.028 8.353 8.370 0.019 0.000 0.504 72 V N -0.669 119.263 119.914 0.030 0.000 2.638 72 V HA 0.616 nan 4.120 nan 0.000 0.306 72 V C -1.939 174.188 176.094 0.054 0.000 1.052 72 V CA -0.724 61.601 62.300 0.041 0.000 0.885 72 V CB 3.402 35.228 31.823 0.007 0.000 0.999 72 V HN -0.556 7.649 8.190 0.025 0.000 0.424 73 V N 6.198 126.160 119.914 0.080 0.000 2.483 73 V HA 0.811 nan 4.120 nan 0.000 0.297 73 V C -1.903 174.251 176.094 0.101 0.000 1.027 73 V CA -1.146 61.201 62.300 0.079 0.000 0.855 73 V CB 2.317 34.182 31.823 0.070 0.000 0.995 73 V HN 0.954 9.206 8.190 0.103 0.000 0.424 74 L N 7.657 128.935 121.223 0.091 0.000 2.298 74 L HA 0.775 nan 4.340 nan 0.000 0.284 74 L C -1.665 175.254 176.870 0.082 0.000 1.013 74 L CA -1.496 53.403 54.840 0.097 0.000 0.824 74 L CB 1.852 43.963 42.059 0.087 0.000 1.221 74 L HN 0.819 9.098 8.230 0.081 0.000 0.418 75 I N 5.599 126.214 120.570 0.076 0.000 2.330 75 I HA 0.264 nan 4.170 nan 0.000 0.286 75 I C -0.893 175.248 176.117 0.039 0.000 1.025 75 I CA -0.459 60.878 61.300 0.061 0.000 1.197 75 I CB -0.384 37.650 38.000 0.055 0.000 1.358 75 I HN 1.065 9.325 8.210 0.084 0.000 0.467 76 S N 7.698 123.421 115.700 0.038 0.000 2.650 76 S HA 0.218 nan 4.470 nan 0.000 0.240 76 S C -0.046 174.561 174.600 0.012 0.000 1.007 76 S CA -1.139 57.071 58.200 0.017 0.000 0.984 76 S CB 0.513 63.721 63.200 0.014 0.000 0.910 76 S HN 0.555 8.896 8.310 0.052 0.000 0.509 77 A N 2.169 125.003 122.820 0.023 0.000 2.445 77 A HA 0.024 nan 4.320 nan 0.000 0.242 77 A C -1.192 176.390 177.584 -0.003 0.000 1.075 77 A CA 1.377 53.423 52.037 0.015 0.000 0.777 77 A CB 0.679 19.702 19.000 0.038 0.000 1.013 77 A HN -0.807 7.366 8.150 0.038 0.000 0.493 78 G N -2.155 106.638 108.800 -0.011 0.000 2.333 78 G HA2 -0.155 nan 3.960 nan 0.000 0.330 78 G HA3 -0.155 nan 3.960 nan 0.000 0.330 78 G C -1.756 173.131 174.900 -0.021 0.000 1.465 78 G CA -0.663 44.423 45.100 -0.023 0.000 0.996 78 G HN -0.550 7.735 8.290 -0.010 0.000 0.655 79 V N 0.397 120.296 119.914 -0.025 0.000 2.732 79 V HA -0.017 nan 4.120 nan 0.000 0.297 79 V C 0.378 176.463 176.094 -0.015 0.000 1.060 79 V CA -0.034 62.255 62.300 -0.020 0.000 1.038 79 V CB 0.548 32.358 31.823 -0.021 0.000 1.003 79 V HN 0.235 8.787 8.190 -0.033 -0.382 0.481 80 R N 3.159 123.653 120.500 -0.010 0.000 2.560 80 R HA 0.106 nan 4.340 nan 0.000 0.270 80 R C -0.887 175.410 176.300 -0.004 0.000 1.074 80 R CA -0.473 55.624 56.100 -0.006 0.000 1.140 80 R CB 1.068 31.366 30.300 -0.004 0.000 1.073 80 R HN 0.197 8.460 8.270 -0.011 0.000 0.527 81 R N -0.318 120.181 120.500 -0.001 0.000 2.528 81 R HA 0.118 nan 4.340 nan 0.000 0.271 81 R C -0.452 175.848 176.300 -0.000 0.000 1.056 81 R CA -0.575 55.524 56.100 -0.001 0.000 1.117 81 R CB 1.248 31.548 30.300 -0.000 0.000 1.085 81 R HN 0.162 8.433 8.270 0.001 0.000 0.530 82 K N -0.288 120.112 120.400 -0.001 0.000 2.139 82 K HA 0.441 nan 4.320 nan 0.000 0.243 82 K C -2.093 174.507 176.600 -0.001 0.000 0.983 82 K CA -2.823 53.463 56.287 -0.001 0.000 0.890 82 K CB 0.162 32.661 32.500 -0.001 0.000 1.090 82 K HN -0.238 8.012 8.250 -0.001 0.000 0.445 83 P HA -0.323 nan 4.420 nan 0.000 0.262 83 P C -0.009 177.289 177.300 -0.003 0.000 1.182 83 P CA 1.399 64.498 63.100 -0.002 0.000 0.761 83 P CB -0.318 31.381 31.700 -0.002 0.000 0.795 84 G N 3.275 112.072 108.800 -0.004 0.000 2.194 84 G HA2 -0.399 nan 3.960 nan 0.000 0.236 84 G HA3 -0.399 nan 3.960 nan 0.000 0.236 84 G C -0.684 174.213 174.900 -0.005 0.000 0.987 84 G CA -0.269 44.828 45.100 -0.005 0.000 0.635 84 G HN 0.325 8.612 8.290 -0.005 0.000 0.520 85 M N 0.858 120.455 119.600 -0.005 0.000 2.444 85 M HA 0.132 nan 4.480 nan 0.000 0.319 85 M C -1.851 174.443 176.300 -0.009 0.000 1.183 85 M CA 0.385 55.683 55.300 -0.005 0.000 1.032 85 M CB 1.597 34.196 32.600 -0.002 0.000 1.569 85 M HN -0.470 7.745 8.290 -0.004 0.073 0.468 86 D N 0.212 120.606 120.400 -0.011 0.000 2.326 86 D HA 0.253 nan 4.640 nan 0.000 0.251 86 D C 0.924 177.214 176.300 -0.016 0.000 1.023 86 D CA -1.919 52.070 54.000 -0.019 0.000 0.966 86 D CB 2.348 43.133 40.800 -0.024 0.000 1.156 86 D HN 0.112 8.869 8.370 -0.007 -0.391 0.494 87 R N 0.596 121.080 120.500 -0.027 0.000 2.103 87 R HA -0.315 nan 4.340 nan 0.000 0.242 87 R C 1.699 177.996 176.300 -0.005 0.000 1.142 87 R CA 4.069 60.157 56.100 -0.019 0.000 0.960 87 R CB -0.285 29.992 30.300 -0.039 0.000 0.858 87 R HN 0.376 8.622 8.270 -0.040 0.000 0.439 88 S N -2.233 113.459 115.700 -0.013 0.000 2.442 88 S HA -0.192 nan 4.470 nan 0.000 0.236 88 S C 1.426 176.047 174.600 0.036 0.000 1.007 88 S CA 2.983 61.182 58.200 -0.000 0.000 0.965 88 S CB -1.174 62.005 63.200 -0.035 0.000 0.773 88 S HN 0.152 8.444 8.310 -0.029 0.000 0.504 89 D N 2.923 123.337 120.400 0.024 0.000 2.350 89 D HA -0.096 nan 4.640 nan 0.000 0.216 89 D C 1.036 177.366 176.300 0.049 0.000 0.968 89 D CA 2.159 56.181 54.000 0.036 0.000 0.894 89 D CB -0.545 40.265 40.800 0.016 0.000 0.909 89 D HN -0.497 7.732 8.370 0.007 0.146 0.520 90 L N -1.743 119.506 121.223 0.044 0.000 2.599 90 L HA -0.013 nan 4.340 nan 0.000 0.230 90 L C 0.713 177.601 176.870 0.030 0.000 1.141 90 L CA -0.333 54.521 54.840 0.024 0.000 0.877 90 L CB -0.882 41.179 42.059 0.004 0.000 1.009 90 L HN -0.323 7.762 8.230 0.036 0.166 0.447 91 F N 1.240 121.144 119.950 -0.077 0.000 2.126 91 F HA -0.549 nan 4.527 nan 0.000 0.299 91 F C 0.866 176.588 175.800 -0.131 0.000 1.096 91 F CA 4.647 62.576 58.000 -0.119 0.000 1.255 91 F CB -0.079 38.861 39.000 -0.101 0.000 0.997 91 F HN -0.312 7.941 8.300 0.203 0.168 0.479 92 N N -2.089 116.568 118.700 -0.071 0.000 2.120 92 N HA -0.320 nan 4.740 nan 0.000 0.188 92 N C 1.744 177.139 175.510 -0.192 0.000 1.024 92 N CA 3.414 56.377 53.050 -0.146 0.000 0.852 92 N CB -0.347 38.150 38.487 0.017 0.000 1.003 92 N HN 0.284 8.737 8.380 0.121 0.000 0.424 93 V N -6.397 113.436 119.914 -0.135 0.000 2.649 93 V HA 0.043 nan 4.120 nan 0.000 0.248 93 V C 1.189 177.194 176.094 -0.147 0.000 1.054 93 V CA 1.894 64.128 62.300 -0.110 0.000 1.073 93 V CB -0.324 31.464 31.823 -0.059 0.000 0.699 93 V HN -0.726 7.408 8.190 -0.095 0.000 0.463 94 N N -0.020 118.563 118.700 -0.196 0.000 2.388 94 N HA 0.079 nan 4.740 nan 0.000 0.176 94 N C 1.534 176.869 175.510 -0.292 0.000 1.062 94 N CA 1.089 54.028 53.050 -0.186 0.000 0.895 94 N CB 0.356 38.768 38.487 -0.126 0.000 1.018 94 N HN -0.278 7.984 8.380 -0.197 0.000 0.456 95 A N 0.244 122.729 122.820 -0.557 0.000 1.873 95 A HA -0.233 nan 4.320 nan 0.000 0.218 95 A C 1.757 179.024 177.584 -0.528 0.000 1.193 95 A CA 3.657 55.181 52.037 -0.856 0.000 0.629 95 A CB -0.634 17.196 19.000 -1.950 0.000 0.826 95 A HN 0.029 7.796 8.150 -0.638 0.000 0.447 96 G N -3.370 105.246 108.800 -0.306 0.000 2.422 96 G HA2 -0.317 nan 3.960 nan 0.000 0.218 96 G HA3 -0.317 nan 3.960 nan 0.000 0.218 96 G C 1.224 176.119 174.900 -0.007 0.000 1.146 96 G CA 1.598 46.701 45.100 0.005 0.000 0.769 96 G HN 0.195 8.253 8.290 -0.386 0.000 0.547 97 I N 2.048 122.585 120.570 -0.054 0.000 2.163 97 I HA -0.538 nan 4.170 nan 0.000 0.243 97 I C 1.424 177.535 176.117 -0.011 0.000 1.085 97 I CA 3.596 64.883 61.300 -0.021 0.000 1.347 97 I CB -0.073 37.908 38.000 -0.032 0.000 1.044 97 I HN -0.606 7.544 8.210 -0.100 0.000 0.408 98 V N -0.392 119.496 119.914 -0.044 0.000 2.358 98 V HA -0.521 nan 4.120 nan 0.000 0.246 98 V C 1.733 177.831 176.094 0.006 0.000 1.047 98 V CA 4.717 67.002 62.300 -0.025 0.000 1.035 98 V CB -1.138 30.650 31.823 -0.058 0.000 0.658 98 V HN -0.323 7.812 8.190 -0.091 0.000 0.452 99 K N -0.544 119.874 120.400 0.030 0.000 2.009 99 K HA -0.491 nan 4.320 nan 0.000 0.210 99 K C 1.886 178.516 176.600 0.051 0.000 1.049 99 K CA 3.712 60.050 56.287 0.084 0.000 0.929 99 K CB -0.254 32.369 32.500 0.205 0.000 0.714 99 K HN -0.187 8.064 8.250 0.001 0.000 0.440 100 N N -0.534 118.191 118.700 0.043 0.000 2.084 100 N HA -0.260 nan 4.740 nan 0.000 0.190 100 N C 2.342 177.857 175.510 0.008 0.000 1.030 100 N CA 2.841 55.906 53.050 0.025 0.000 0.849 100 N CB -0.217 38.288 38.487 0.029 0.000 1.012 100 N HN -0.395 8.014 8.380 0.048 0.000 0.423 101 L N -1.261 119.969 121.223 0.012 0.000 2.056 101 L HA -0.296 nan 4.340 nan 0.000 0.207 101 L C 1.991 178.856 176.870 -0.009 0.000 1.078 101 L CA 3.159 57.996 54.840 -0.005 0.000 0.749 101 L CB -0.057 42.016 42.059 0.023 0.000 0.901 101 L HN -0.123 8.120 8.230 0.021 0.000 0.433 102 V N -0.873 119.047 119.914 0.010 0.000 2.626 102 V HA -0.497 nan 4.120 nan 0.000 0.252 102 V C 2.196 178.297 176.094 0.011 0.000 1.067 102 V CA 3.988 66.298 62.300 0.017 0.000 1.081 102 V CB -1.141 30.698 31.823 0.027 0.000 0.686 102 V HN 0.134 8.334 8.190 0.016 0.000 0.468 103 Q N -0.699 119.105 119.800 0.006 0.000 2.084 103 Q HA -0.415 nan 4.340 nan 0.000 0.202 103 Q C 2.873 178.863 176.000 -0.017 0.000 0.978 103 Q CA 3.941 59.744 55.803 -0.001 0.000 0.844 103 Q CB -0.342 28.396 28.738 -0.001 0.000 0.898 103 Q HN -0.104 8.173 8.270 0.011 0.000 0.426 104 Q N 0.042 119.821 119.800 -0.036 0.000 2.119 104 Q HA -0.286 nan 4.340 nan 0.000 0.201 104 Q C 2.374 178.341 176.000 -0.055 0.000 0.972 104 Q CA 3.262 59.027 55.803 -0.063 0.000 0.847 104 Q CB 0.057 28.727 28.738 -0.113 0.000 0.903 104 Q HN -0.552 7.698 8.270 -0.034 0.000 0.433 105 V N 0.106 119.998 119.914 -0.036 0.000 2.295 105 V HA -0.424 nan 4.120 nan 0.000 0.246 105 V C 1.885 177.980 176.094 0.001 0.000 1.049 105 V CA 4.240 66.531 62.300 -0.015 0.000 1.024 105 V CB -1.057 30.773 31.823 0.012 0.000 0.648 105 V HN -0.135 8.035 8.190 -0.033 0.000 0.447 106 A N -1.268 121.558 122.820 0.010 0.000 1.940 106 A HA -0.295 nan 4.320 nan 0.000 0.219 106 A C 1.666 179.255 177.584 0.009 0.000 1.176 106 A CA 3.219 55.268 52.037 0.021 0.000 0.631 106 A CB -0.471 18.544 19.000 0.025 0.000 0.814 106 A HN 0.230 8.385 8.150 0.009 0.000 0.446 107 K N -2.957 117.439 120.400 -0.006 0.000 2.076 107 K HA -0.057 nan 4.320 nan 0.000 0.204 107 K C 2.083 178.672 176.600 -0.018 0.000 1.051 107 K CA 1.367 57.646 56.287 -0.013 0.000 0.949 107 K CB -0.198 32.289 32.500 -0.022 0.000 0.726 107 K HN -0.375 7.868 8.250 -0.011 0.000 0.443 108 T N -0.851 113.686 114.554 -0.028 0.000 2.953 108 T HA 0.154 nan 4.350 nan 0.000 0.247 108 T C -0.283 174.402 174.700 -0.024 0.000 1.029 108 T CA 3.083 65.161 62.100 -0.037 0.000 1.144 108 T CB 1.529 70.359 68.868 -0.064 0.000 0.870 108 T HN -0.254 7.968 8.240 -0.030 0.000 0.446 109 C N 0.184 119.476 119.300 -0.014 0.000 3.495 109 C HA 0.693 nan 4.460 nan 0.000 0.201 109 C C -1.288 173.712 174.990 0.017 0.000 1.408 109 C CA -3.532 55.486 59.018 -0.000 0.000 1.367 109 C CB -1.124 26.615 27.740 -0.002 0.000 1.845 109 C HN -0.225 7.996 8.230 -0.015 0.000 0.500 110 P HA -0.169 nan 4.420 nan 0.000 0.225 110 P C -0.261 177.062 177.300 0.038 0.000 1.148 110 P CA 1.497 64.617 63.100 0.033 0.000 0.779 110 P CB 0.037 31.754 31.700 0.029 0.000 0.780 111 K N -4.053 116.365 120.400 0.030 0.000 2.387 111 K HA 0.191 nan 4.320 nan 0.000 0.198 111 K C -0.960 175.665 176.600 0.042 0.000 1.022 111 K CA -0.996 55.309 56.287 0.031 0.000 1.128 111 K CB -0.336 32.176 32.500 0.021 0.000 0.853 111 K HN -0.111 8.087 8.250 0.024 0.066 0.523 112 A N -0.833 122.017 122.820 0.050 0.000 2.351 112 A HA 0.109 nan 4.320 nan 0.000 0.257 112 A C 0.128 177.773 177.584 0.101 0.000 1.087 112 A CA -0.401 51.674 52.037 0.063 0.000 0.798 112 A CB 0.967 20.000 19.000 0.055 0.000 1.033 112 A HN -0.593 7.513 8.150 0.046 0.072 0.488 113 C N 1.896 121.272 119.300 0.127 0.000 2.514 113 C HA 0.142 nan 4.460 nan 0.000 0.392 113 C C -0.699 174.433 174.990 0.237 0.000 1.294 113 C CA 0.763 59.916 59.018 0.226 0.000 1.957 113 C CB -0.814 27.065 27.740 0.231 0.000 2.541 113 C HN 0.005 8.292 8.230 0.096 0.000 0.569 114 I N 4.496 125.253 120.570 0.311 0.000 2.389 114 I HA 0.517 nan 4.170 nan 0.000 0.288 114 I C -1.426 174.907 176.117 0.361 0.000 0.999 114 I CA -1.083 60.371 61.300 0.256 0.000 1.129 114 I CB 2.052 40.160 38.000 0.181 0.000 1.288 114 I HN 0.965 9.393 8.210 0.364 0.000 0.444 115 G N 6.668 115.645 108.800 0.296 0.000 2.370 115 G HA2 0.686 nan 3.960 nan 0.000 0.317 115 G HA3 0.686 nan 3.960 nan 0.000 0.317 115 G C -1.942 173.050 174.900 0.154 0.000 1.162 115 G CA -1.502 43.775 45.100 0.296 0.000 0.922 115 G HN 1.044 9.471 8.290 0.228 0.000 0.454 116 I N 6.137 126.771 120.570 0.108 0.000 2.315 116 I HA 0.398 nan 4.170 nan 0.000 0.291 116 I C -0.521 175.588 176.117 -0.013 0.000 1.006 116 I CA -1.215 60.110 61.300 0.042 0.000 1.265 116 I CB -0.055 37.961 38.000 0.026 0.000 1.387 116 I HN 0.966 9.259 8.210 0.138 0.000 0.475 117 I N 7.207 127.765 120.570 -0.020 0.000 3.790 117 I HA -0.015 nan 4.170 nan 0.000 0.305 117 I C -0.121 175.963 176.117 -0.054 0.000 1.253 117 I CA 0.794 62.060 61.300 -0.056 0.000 1.355 117 I CB 0.922 38.899 38.000 -0.037 0.000 1.137 117 I HN 0.531 8.743 8.210 0.004 0.000 0.435 118 T N 3.373 117.906 114.554 -0.034 0.000 2.866 118 T HA -0.197 nan 4.350 nan 0.000 0.293 118 T C -1.154 173.521 174.700 -0.042 0.000 1.005 118 T CA 1.517 63.596 62.100 -0.035 0.000 1.162 118 T CB 0.024 68.872 68.868 -0.033 0.000 0.968 118 T HN -0.805 7.423 8.240 -0.020 0.000 0.530 119 N N 5.112 123.794 118.700 -0.030 0.000 2.518 119 N HA 0.058 nan 4.740 nan 0.000 0.266 119 N C -1.488 174.011 175.510 -0.020 0.000 1.196 119 N CA -2.250 50.791 53.050 -0.015 0.000 0.947 119 N CB 0.839 39.326 38.487 -0.000 0.000 1.098 119 N HN 0.084 8.449 8.380 -0.026 0.000 0.450 120 P HA 0.141 nan 4.420 nan 0.000 0.287 120 P C -0.102 177.164 177.300 -0.057 0.000 1.307 120 P CA -0.860 62.229 63.100 -0.018 0.000 0.777 120 P CB 0.752 32.446 31.700 -0.009 0.000 0.883 121 V N 4.748 124.610 119.914 -0.087 0.000 2.392 121 V HA -0.528 nan 4.120 nan 0.000 0.249 121 V C 1.725 177.649 176.094 -0.284 0.000 1.059 121 V CA 4.430 66.629 62.300 -0.168 0.000 1.051 121 V CB -0.613 31.084 31.823 -0.209 0.000 0.658 121 V HN 0.519 8.684 8.190 -0.042 0.000 0.455 122 N N -2.615 115.884 118.700 -0.336 0.000 2.205 122 N HA -0.269 nan 4.740 nan 0.000 0.186 122 N C 1.842 177.321 175.510 -0.052 0.000 1.015 122 N CA 2.972 55.819 53.050 -0.338 0.000 0.862 122 N CB -0.490 37.896 38.487 -0.168 0.000 0.986 122 N HN 0.515 8.734 8.380 -0.269 0.000 0.429 123 T N 1.241 115.764 114.554 -0.053 0.000 2.983 123 T HA 0.182 nan 4.350 nan 0.000 0.250 123 T C 1.511 176.201 174.700 -0.018 0.000 1.037 123 T CA 3.800 65.898 62.100 -0.004 0.000 1.142 123 T CB 0.537 69.424 68.868 0.032 0.000 0.876 123 T HN -0.454 7.716 8.240 -0.076 0.024 0.455 124 T N 1.129 115.658 114.554 -0.041 0.000 2.915 124 T HA -0.143 nan 4.350 nan 0.000 0.269 124 T C 1.590 176.238 174.700 -0.086 0.000 1.071 124 T CA 4.011 66.076 62.100 -0.059 0.000 1.132 124 T CB -0.744 68.086 68.868 -0.064 0.000 0.878 124 T HN -0.016 8.196 8.240 -0.048 0.000 0.479 125 V N 2.094 121.935 119.914 -0.121 0.000 2.490 125 V HA -0.351 nan 4.120 nan 0.000 0.250 125 V C 1.574 177.415 176.094 -0.422 0.000 1.061 125 V CA 4.065 66.246 62.300 -0.199 0.000 1.064 125 V CB -1.294 30.459 31.823 -0.116 0.000 0.670 125 V HN -0.119 8.008 8.190 -0.105 0.000 0.461 126 A N -0.166 122.377 122.820 -0.461 0.000 1.930 126 A HA -0.257 nan 4.320 nan 0.000 0.217 126 A C 2.017 179.552 177.584 -0.082 0.000 1.175 126 A CA 3.111 54.941 52.037 -0.346 0.000 0.627 126 A CB -0.972 17.965 19.000 -0.106 0.000 0.815 126 A HN -0.732 7.139 8.150 -0.327 0.083 0.443 127 I N -1.159 119.394 120.570 -0.028 0.000 2.163 127 I HA -0.629 nan 4.170 nan 0.000 0.243 127 I C 1.578 177.700 176.117 0.008 0.000 1.085 127 I CA 4.096 65.425 61.300 0.048 0.000 1.347 127 I CB -0.310 37.719 38.000 0.048 0.000 1.044 127 I HN -0.427 7.757 8.210 -0.042 0.000 0.408 128 A N -1.278 121.523 122.820 -0.032 0.000 1.883 128 A HA -0.411 nan 4.320 nan 0.000 0.217 128 A C 1.719 179.262 177.584 -0.070 0.000 1.186 128 A CA 3.311 55.334 52.037 -0.023 0.000 0.624 128 A CB -1.091 17.907 19.000 -0.003 0.000 0.822 128 A HN -0.031 8.088 8.150 -0.051 0.000 0.444 129 A N -2.344 120.394 122.820 -0.138 0.000 1.908 129 A HA -0.332 nan 4.320 nan 0.000 0.218 129 A C 2.421 179.755 177.584 -0.416 0.000 1.181 129 A CA 3.208 55.000 52.037 -0.409 0.000 0.627 129 A CB -0.849 18.019 19.000 -0.220 0.000 0.818 129 A HN 0.026 8.102 8.150 -0.123 0.000 0.445 130 E N -2.231 117.871 120.200 -0.164 0.000 2.107 130 E HA -0.217 nan 4.350 nan 0.000 0.191 130 E C 2.582 179.146 176.600 -0.060 0.000 0.982 130 E CA 2.386 58.731 56.400 -0.091 0.000 0.809 130 E CB -0.311 29.387 29.700 -0.002 0.000 0.756 130 E HN -0.530 7.773 8.360 -0.095 0.000 0.459 131 V N 1.190 121.085 119.914 -0.032 0.000 2.287 131 V HA -0.386 nan 4.120 nan 0.000 0.248 131 V C 2.158 178.247 176.094 -0.008 0.000 1.053 131 V CA 4.712 67.008 62.300 -0.006 0.000 1.027 131 V CB -0.821 31.011 31.823 0.016 0.000 0.646 131 V HN 0.087 8.264 8.190 -0.022 0.000 0.447 132 L N -2.533 118.678 121.223 -0.020 0.000 2.083 132 L HA -0.504 nan 4.340 nan 0.000 0.209 132 L C 2.025 178.929 176.870 0.057 0.000 1.083 132 L CA 3.505 58.370 54.840 0.043 0.000 0.752 132 L CB -0.780 41.361 42.059 0.135 0.000 0.899 132 L HN 0.051 8.252 8.230 -0.049 0.000 0.433 133 K N -0.597 119.786 120.400 -0.028 0.000 2.025 133 K HA -0.336 nan 4.320 nan 0.000 0.207 133 K C 3.101 179.717 176.600 0.026 0.000 1.049 133 K CA 3.539 59.839 56.287 0.023 0.000 0.933 133 K CB -0.325 32.148 32.500 -0.045 0.000 0.714 133 K HN -0.153 8.003 8.250 -0.156 0.000 0.438 134 K N -0.445 119.957 120.400 0.003 0.000 2.147 134 K HA -0.250 nan 4.320 nan 0.000 0.205 134 K C 1.746 178.355 176.600 0.015 0.000 1.049 134 K CA 2.556 58.847 56.287 0.007 0.000 0.936 134 K CB -0.213 32.286 32.500 -0.002 0.000 0.722 134 K HN -0.165 8.075 8.250 -0.016 0.000 0.446 135 A N -4.083 118.750 122.820 0.022 0.000 2.206 135 A HA 0.095 nan 4.320 nan 0.000 0.211 135 A C 0.064 177.669 177.584 0.035 0.000 1.158 135 A CA 0.061 52.113 52.037 0.026 0.000 0.761 135 A CB 0.100 19.116 19.000 0.028 0.000 0.801 135 A HN -0.311 7.763 8.150 0.022 0.089 0.473 136 G N -3.232 105.596 108.800 0.048 0.000 2.182 136 G HA2 -0.283 nan 3.960 nan 0.000 0.248 136 G HA3 -0.283 nan 3.960 nan 0.000 0.248 136 G C -0.341 174.596 174.900 0.061 0.000 1.042 136 G CA 0.426 45.557 45.100 0.051 0.000 0.775 136 G HN -0.407 7.713 8.290 0.049 0.200 0.501 137 V N -1.892 118.077 119.914 0.091 0.000 3.440 137 V HA 0.134 nan 4.120 nan 0.000 0.301 137 V C -1.294 174.886 176.094 0.143 0.000 1.555 137 V CA -0.494 61.859 62.300 0.089 0.000 1.095 137 V CB 2.067 33.930 31.823 0.067 0.000 0.936 137 V HN -0.358 7.899 8.190 0.110 0.000 0.452 138 Y N 2.968 123.279 120.300 0.019 0.000 2.465 138 Y HA -0.165 nan 4.550 nan 0.000 0.331 138 Y C -1.399 174.510 175.900 0.014 0.000 1.102 138 Y CA 0.560 58.674 58.100 0.023 0.000 1.358 138 Y CB 0.363 38.842 38.460 0.031 0.000 1.213 138 Y HN -0.672 7.757 8.280 0.248 0.000 0.525 139 D N 8.555 128.739 120.400 -0.359 0.000 2.462 139 D HA 0.227 nan 4.640 nan 0.000 0.245 139 D C 0.490 176.373 176.300 -0.695 0.000 1.122 139 D CA -2.152 51.578 54.000 -0.450 0.000 0.864 139 D CB 1.418 42.115 40.800 -0.172 0.000 1.098 139 D HN 0.076 8.388 8.370 -0.096 0.000 0.541 140 K N 5.653 125.524 120.400 -0.882 0.000 2.442 140 K HA -0.231 nan 4.320 nan 0.000 0.198 140 K C 0.542 176.957 176.600 -0.308 0.000 1.044 140 K CA 1.989 57.916 56.287 -0.601 0.000 0.948 140 K CB -0.959 31.314 32.500 -0.378 0.000 0.762 140 K HN 0.541 8.232 8.250 -0.933 0.000 0.472 141 N N -1.081 117.470 118.700 -0.249 0.000 2.398 141 N HA 0.071 nan 4.740 nan 0.000 0.188 141 N C -0.024 175.385 175.510 -0.168 0.000 1.122 141 N CA 1.470 54.424 53.050 -0.160 0.000 0.866 141 N CB 0.500 38.948 38.487 -0.065 0.000 0.970 141 N HN -0.268 8.171 8.380 -0.261 -0.215 0.462 142 K N -2.574 117.707 120.400 -0.199 0.000 2.447 142 K HA 0.254 nan 4.320 nan 0.000 0.205 142 K C -2.457 174.087 176.600 -0.093 0.000 1.059 142 K CA -0.521 55.739 56.287 -0.046 0.000 1.065 142 K CB 1.576 34.105 32.500 0.048 0.000 0.885 142 K HN -0.032 7.907 8.250 -0.228 0.174 0.545 143 L N 0.784 121.824 121.223 -0.305 0.000 2.305 143 L HA 0.510 nan 4.340 nan 0.000 0.284 143 L C -2.376 174.274 176.870 -0.367 0.000 1.013 143 L CA -0.344 54.426 54.840 -0.116 0.000 0.819 143 L CB 1.992 44.148 42.059 0.162 0.000 1.227 143 L HN -0.900 7.097 8.230 -0.388 0.000 0.417 144 F N 5.241 125.300 119.950 0.183 0.000 2.529 144 F HA 0.530 nan 4.527 nan 0.000 0.320 144 F C -0.977 174.862 175.800 0.065 0.000 1.118 144 F CA -2.073 56.013 58.000 0.143 0.000 0.915 144 F CB 3.591 42.702 39.000 0.186 0.000 1.161 144 F HN 0.577 9.063 8.300 0.309 0.000 0.445 145 G N 1.702 110.640 108.800 0.230 0.000 2.320 145 G HA2 0.349 nan 3.960 nan 0.000 0.300 145 G HA3 0.349 nan 3.960 nan 0.000 0.300 145 G C -1.750 173.100 174.900 -0.082 0.000 1.126 145 G CA -1.126 44.033 45.100 0.097 0.000 0.896 145 G HN 0.870 9.226 8.290 0.290 0.107 0.436 146 V N 6.020 125.808 119.914 -0.211 0.000 2.405 146 V HA 0.100 nan 4.120 nan 0.000 0.264 146 V C 0.301 176.192 176.094 -0.338 0.000 1.048 146 V CA 0.460 62.513 62.300 -0.413 0.000 0.966 146 V CB -1.001 30.625 31.823 -0.329 0.000 1.015 146 V HN 0.085 8.191 8.190 -0.141 0.000 0.477 147 T N 2.144 116.506 114.554 -0.321 0.000 3.129 147 T HA 0.272 nan 4.350 nan 0.000 0.267 147 T C 1.164 175.744 174.700 -0.201 0.000 1.018 147 T CA 0.314 62.263 62.100 -0.252 0.000 0.903 147 T CB 0.268 69.057 68.868 -0.131 0.000 1.067 147 T HN 0.299 8.309 8.240 -0.383 0.000 0.549 148 T N 5.006 119.441 114.554 -0.199 0.000 2.929 148 T HA -0.174 nan 4.350 nan 0.000 0.271 148 T C 1.192 175.835 174.700 -0.095 0.000 1.085 148 T CA 3.536 65.576 62.100 -0.101 0.000 1.125 148 T CB -0.867 67.982 68.868 -0.031 0.000 0.874 148 T HN 0.024 8.027 8.240 -0.269 0.075 0.494 149 L N 0.404 121.543 121.223 -0.141 0.000 2.141 149 L HA -0.265 nan 4.340 nan 0.000 0.209 149 L C 0.821 177.642 176.870 -0.080 0.000 1.094 149 L CA 2.953 57.724 54.840 -0.115 0.000 0.763 149 L CB -0.376 41.597 42.059 -0.143 0.000 0.908 149 L HN -0.245 7.825 8.230 -0.201 0.039 0.437 150 D N -0.148 120.217 120.400 -0.057 0.000 2.117 150 D HA -0.268 nan 4.640 nan 0.000 0.198 150 D C 2.713 178.989 176.300 -0.040 0.000 0.982 150 D CA 3.385 57.384 54.000 -0.002 0.000 0.828 150 D CB -0.587 40.244 40.800 0.052 0.000 0.967 150 D HN -0.236 8.053 8.370 -0.103 0.020 0.464 151 I N -0.995 119.548 120.570 -0.045 0.000 2.099 151 I HA -0.453 nan 4.170 nan 0.000 0.239 151 I C 2.072 178.144 176.117 -0.074 0.000 1.066 151 I CA 3.142 64.416 61.300 -0.043 0.000 1.324 151 I CB -0.756 37.231 38.000 -0.022 0.000 1.037 151 I HN -0.928 7.254 8.210 -0.047 0.000 0.401 152 I N -3.729 116.789 120.570 -0.087 0.000 2.546 152 I HA -0.468 nan 4.170 nan 0.000 0.255 152 I C 1.746 177.737 176.117 -0.211 0.000 1.163 152 I CA 3.739 64.972 61.300 -0.113 0.000 1.457 152 I CB -0.624 37.325 38.000 -0.085 0.000 1.092 152 I HN -0.326 7.839 8.210 -0.074 0.000 0.434 153 R N 0.670 121.010 120.500 -0.266 0.000 2.083 153 R HA -0.437 nan 4.340 nan 0.000 0.237 153 R C 2.515 178.393 176.300 -0.703 0.000 1.137 153 R CA 4.197 59.964 56.100 -0.554 0.000 0.951 153 R CB -0.286 29.793 30.300 -0.369 0.000 0.851 153 R HN -0.026 8.135 8.270 -0.182 0.000 0.434 154 S N 0.446 115.967 115.700 -0.297 0.000 2.359 154 S HA -0.429 nan 4.470 nan 0.000 0.224 154 S C 1.925 176.466 174.600 -0.098 0.000 1.035 154 S CA 3.618 61.742 58.200 -0.127 0.000 1.018 154 S CB -0.377 62.801 63.200 -0.037 0.000 0.876 154 S HN -0.127 8.066 8.310 -0.194 0.000 0.448 155 N N 1.462 120.101 118.700 -0.102 0.000 2.061 155 N HA -0.392 nan 4.740 nan 0.000 0.193 155 N C 2.197 177.671 175.510 -0.059 0.000 1.030 155 N CA 3.365 56.384 53.050 -0.051 0.000 0.856 155 N CB 0.023 38.480 38.487 -0.049 0.000 1.023 155 N HN -0.058 8.251 8.380 -0.118 0.000 0.424 156 T N 3.393 117.847 114.554 -0.166 0.000 2.708 156 T HA -0.236 nan 4.350 nan 0.000 0.266 156 T C 2.024 176.750 174.700 0.043 0.000 1.037 156 T CA 4.698 66.725 62.100 -0.122 0.000 1.146 156 T CB -0.433 68.286 68.868 -0.248 0.000 0.865 156 T HN -0.340 7.753 8.240 -0.245 0.000 0.435 157 F N 0.156 120.119 119.950 0.022 0.000 2.146 157 F HA -0.133 nan 4.527 nan 0.000 0.298 157 F C 1.950 177.778 175.800 0.046 0.000 1.096 157 F CA 0.916 58.929 58.000 0.022 0.000 1.275 157 F CB -1.233 37.769 39.000 0.003 0.000 1.008 157 F HN -0.147 7.928 8.300 -0.375 0.000 0.480 158 V N 0.175 120.232 119.914 0.239 0.000 2.261 158 V HA -0.533 nan 4.120 nan 0.000 0.246 158 V C 1.751 177.951 176.094 0.176 0.000 1.047 158 V CA 4.770 67.211 62.300 0.236 0.000 1.015 158 V CB -1.347 30.621 31.823 0.242 0.000 0.642 158 V HN 0.198 8.503 8.190 0.191 0.000 0.446 159 A N -1.875 121.016 122.820 0.119 0.000 1.940 159 A HA -0.361 nan 4.320 nan 0.000 0.219 159 A C 2.109 179.740 177.584 0.080 0.000 1.176 159 A CA 3.433 55.517 52.037 0.079 0.000 0.631 159 A CB -0.717 18.314 19.000 0.051 0.000 0.814 159 A HN -0.179 8.034 8.150 0.104 0.000 0.446 160 E N -1.518 118.745 120.200 0.106 0.000 2.112 160 E HA -0.217 nan 4.350 nan 0.000 0.190 160 E C 2.735 179.384 176.600 0.082 0.000 0.979 160 E CA 2.054 58.508 56.400 0.092 0.000 0.814 160 E CB -0.224 29.545 29.700 0.115 0.000 0.762 160 E HN -0.560 7.871 8.360 0.132 0.008 0.460 161 L N 0.453 121.741 121.223 0.108 0.000 2.017 161 L HA -0.234 nan 4.340 nan 0.000 0.208 161 L C 1.557 178.471 176.870 0.073 0.000 1.073 161 L CA 2.779 57.678 54.840 0.099 0.000 0.745 161 L CB 0.143 42.296 42.059 0.156 0.000 0.894 161 L HN -0.171 8.144 8.230 0.142 0.000 0.432 162 K N -3.769 116.674 120.400 0.071 0.000 2.387 162 K HA 0.046 nan 4.320 nan 0.000 0.198 162 K C -0.178 176.423 176.600 0.003 0.000 1.022 162 K CA -1.010 55.286 56.287 0.015 0.000 1.128 162 K CB -0.287 32.200 32.500 -0.023 0.000 0.853 162 K HN -0.023 8.287 8.250 0.099 0.000 0.523 163 G N -0.116 108.695 108.800 0.020 0.000 2.305 163 G HA2 -0.471 nan 3.960 nan 0.000 0.287 163 G HA3 -0.471 nan 3.960 nan 0.000 0.287 163 G C -0.483 174.422 174.900 0.008 0.000 1.036 163 G CA 0.912 46.019 45.100 0.012 0.000 0.887 163 G HN -0.483 7.756 8.290 0.034 0.071 0.505 164 K N -1.115 119.293 120.400 0.014 0.000 2.132 164 K HA 0.352 nan 4.320 nan 0.000 0.241 164 K C -0.555 176.054 176.600 0.015 0.000 1.000 164 K CA -2.426 53.867 56.287 0.010 0.000 0.911 164 K CB 1.269 33.776 32.500 0.012 0.000 1.093 164 K HN -0.406 7.739 8.250 0.026 0.120 0.460 165 Q N 0.390 120.196 119.800 0.010 0.000 2.296 165 Q HA 0.322 nan 4.340 nan 0.000 0.262 165 Q C -0.384 175.623 176.000 0.012 0.000 0.981 165 Q CA -2.311 53.498 55.803 0.010 0.000 0.905 165 Q CB -0.985 27.757 28.738 0.006 0.000 1.186 165 Q HN -0.147 8.311 8.270 0.007 -0.183 0.399 166 P HA -0.086 nan 4.420 nan 0.000 0.218 166 P C 0.715 178.016 177.300 0.001 0.000 1.148 166 P CA 1.790 64.894 63.100 0.007 0.000 0.822 166 P CB 0.086 31.788 31.700 0.003 0.000 0.784 167 G N -4.442 104.359 108.800 0.001 0.000 2.679 167 G HA2 -0.209 nan 3.960 nan 0.000 0.212 167 G HA3 -0.209 nan 3.960 nan 0.000 0.212 167 G C -0.100 174.801 174.900 0.002 0.000 1.137 167 G CA 0.801 45.900 45.100 -0.001 0.000 0.787 167 G HN 0.232 8.507 8.290 0.002 0.017 0.534 168 E N -0.214 119.989 120.200 0.006 0.000 2.562 168 E HA 0.169 nan 4.350 nan 0.000 0.214 168 E C -0.737 175.870 176.600 0.012 0.000 0.979 168 E CA -0.411 55.993 56.400 0.007 0.000 1.002 168 E CB 1.579 31.283 29.700 0.006 0.000 1.048 168 E HN -0.084 8.074 8.360 0.007 0.205 0.488 169 V N -2.933 116.991 119.914 0.016 0.000 2.495 169 V HA 0.331 nan 4.120 nan 0.000 0.298 169 V C -1.168 174.940 176.094 0.024 0.000 1.031 169 V CA -2.023 60.294 62.300 0.027 0.000 0.871 169 V CB 1.014 32.863 31.823 0.043 0.000 0.988 169 V HN -0.851 7.346 8.190 0.012 0.000 0.432 170 E N 4.037 124.255 120.200 0.031 0.000 2.218 170 E HA 0.199 nan 4.350 nan 0.000 0.263 170 E C -1.972 174.651 176.600 0.039 0.000 0.879 170 E CA -0.832 55.584 56.400 0.027 0.000 0.762 170 E CB 2.167 31.883 29.700 0.025 0.000 1.166 170 E HN 0.230 8.612 8.360 0.037 0.000 0.415 171 V N 2.303 122.237 119.914 0.033 0.000 2.417 171 V HA 0.519 nan 4.120 nan 0.000 0.291 171 V C -2.513 173.599 176.094 0.030 0.000 1.024 171 V CA -4.325 57.999 62.300 0.041 0.000 0.861 171 V CB 1.850 33.699 31.823 0.044 0.000 0.985 171 V HN 0.016 8.217 8.190 0.018 0.000 0.436 172 P HA 0.112 nan 4.420 nan 0.000 0.276 172 P C -2.061 175.253 177.300 0.024 0.000 1.230 172 P CA -0.616 62.505 63.100 0.036 0.000 0.776 172 P CB 0.509 32.238 31.700 0.048 0.000 0.888 173 V N 2.464 122.385 119.914 0.012 0.000 2.531 173 V HA 0.721 nan 4.120 nan 0.000 0.301 173 V C -0.926 175.147 176.094 -0.034 0.000 1.034 173 V CA -0.892 61.404 62.300 -0.006 0.000 0.865 173 V CB 2.060 33.878 31.823 -0.008 0.000 0.995 173 V HN -0.168 8.030 8.190 0.014 0.000 0.424 174 I N -0.272 120.258 120.570 -0.067 0.000 3.170 174 I HA 0.831 nan 4.170 nan 0.000 0.312 174 I C -0.856 175.072 176.117 -0.314 0.000 1.085 174 I CA -2.818 58.371 61.300 -0.186 0.000 0.999 174 I CB 3.208 41.146 38.000 -0.103 0.000 1.233 174 I HN 0.630 8.814 8.210 -0.042 0.000 0.467 175 G N -0.303 108.037 108.800 -0.768 0.000 2.964 175 G HA2 -0.339 nan 3.960 nan 0.000 0.229 175 G HA3 -0.339 nan 3.960 nan 0.000 0.229 175 G C -1.799 172.916 174.900 -0.308 0.000 1.395 175 G CA -0.348 44.370 45.100 -0.636 0.000 1.060 175 G HN 0.035 7.599 8.290 -1.210 0.000 0.568 176 G N 1.231 109.964 108.800 -0.112 0.000 3.021 176 G HA2 0.523 nan 3.960 nan 0.000 0.290 176 G HA3 0.523 nan 3.960 nan 0.000 0.290 176 G C -2.356 172.481 174.900 -0.104 0.000 1.291 176 G CA -0.408 44.629 45.100 -0.105 0.000 0.834 176 G HN 0.001 8.114 8.290 -0.113 0.110 0.564 177 H N 2.603 121.513 119.070 -0.266 0.000 2.539 177 H HA 0.363 nan 4.556 nan 0.000 0.247 177 H C -1.594 173.647 175.328 -0.145 0.000 1.363 177 H CA -1.733 54.202 56.048 -0.188 0.000 1.371 177 H CB -0.157 29.483 29.762 -0.203 0.000 1.438 177 H HN 0.096 8.562 8.280 -0.275 -0.351 0.523 178 S N 3.492 118.973 115.700 -0.364 0.000 2.588 178 S HA 0.161 nan 4.470 nan 0.000 0.269 178 S C -0.462 174.008 174.600 -0.216 0.000 1.157 178 S CA -0.873 57.155 58.200 -0.287 0.000 0.824 178 S CB 3.244 66.349 63.200 -0.159 0.000 1.126 178 S HN -0.717 7.428 8.310 -0.275 0.000 0.464 179 G N -0.296 108.406 108.800 -0.163 0.000 2.485 179 G HA2 -0.269 nan 3.960 nan 0.000 0.221 179 G HA3 -0.269 nan 3.960 nan 0.000 0.221 179 G C 0.081 174.937 174.900 -0.074 0.000 1.115 179 G CA 2.097 47.132 45.100 -0.108 0.000 0.751 179 G HN 0.731 8.930 8.290 -0.152 0.000 0.567 180 V N 0.143 120.016 119.914 -0.068 0.000 3.307 180 V HA -0.011 nan 4.120 nan 0.000 0.253 180 V C 0.993 177.065 176.094 -0.038 0.000 1.149 180 V CA 1.753 64.026 62.300 -0.045 0.000 1.112 180 V CB 0.512 32.314 31.823 -0.035 0.000 0.777 180 V HN -0.249 7.862 8.190 -0.078 0.032 0.464 181 T N -5.586 108.937 114.554 -0.051 0.000 3.054 181 T HA 0.113 nan 4.350 nan 0.000 0.255 181 T C 0.237 174.903 174.700 -0.055 0.000 1.035 181 T CA 0.119 62.199 62.100 -0.034 0.000 0.941 181 T CB 0.598 69.456 68.868 -0.016 0.000 1.026 181 T HN -0.614 7.467 8.240 -0.077 0.113 0.533 182 I N 3.911 124.442 120.570 -0.066 0.000 2.363 182 I HA 0.153 nan 4.170 nan 0.000 0.292 182 I C -1.072 175.035 176.117 -0.018 0.000 1.075 182 I CA 0.904 62.176 61.300 -0.046 0.000 1.333 182 I CB 0.523 38.496 38.000 -0.045 0.000 1.415 182 I HN -0.500 7.665 8.210 -0.075 0.000 0.502 183 L N 10.232 131.443 121.223 -0.019 0.000 2.366 183 L HA 0.620 nan 4.340 nan 0.000 0.266 183 L C -2.622 174.258 176.870 0.016 0.000 1.010 183 L CA -3.961 50.886 54.840 0.011 0.000 0.879 183 L CB 2.563 44.625 42.059 0.006 0.000 1.228 183 L HN 0.353 8.555 8.230 -0.046 0.000 0.439 184 P HA 0.246 nan 4.420 nan 0.000 0.276 184 P C -1.040 176.271 177.300 0.017 0.000 1.243 184 P CA -1.036 62.071 63.100 0.012 0.000 0.768 184 P CB 0.292 31.990 31.700 -0.003 0.000 0.856 185 L N 6.067 127.304 121.223 0.024 0.000 2.399 185 L HA 0.160 nan 4.340 nan 0.000 0.257 185 L C 0.582 177.471 176.870 0.032 0.000 1.236 185 L CA -1.406 53.458 54.840 0.040 0.000 1.144 185 L CB -2.400 39.691 42.059 0.053 0.000 1.379 185 L HN 0.566 8.810 8.230 0.023 0.000 0.414 186 L N 2.754 123.962 121.223 -0.025 0.000 2.275 186 L HA -0.369 nan 4.340 nan 0.000 0.215 186 L C 1.387 178.334 176.870 0.128 0.000 1.119 186 L CA 2.694 57.496 54.840 -0.063 0.000 0.790 186 L CB -0.797 40.990 42.059 -0.453 0.000 0.919 186 L HN -0.193 7.952 8.230 -0.049 0.055 0.443 187 S N -0.195 115.562 115.700 0.095 0.000 2.481 187 S HA -0.189 nan 4.470 nan 0.000 0.231 187 S C 1.121 175.791 174.600 0.116 0.000 0.996 187 S CA 2.434 60.708 58.200 0.124 0.000 0.942 187 S CB -0.124 63.132 63.200 0.094 0.000 0.768 187 S HN -0.009 8.585 8.310 0.058 -0.250 0.520 188 Q N -1.080 118.783 119.800 0.105 0.000 2.220 188 Q HA 0.112 nan 4.340 nan 0.000 0.205 188 Q C -0.965 175.090 176.000 0.093 0.000 0.865 188 Q CA -0.782 55.073 55.803 0.088 0.000 0.960 188 Q CB 1.002 29.784 28.738 0.073 0.000 1.097 188 Q HN -0.556 7.603 8.270 0.100 0.170 0.493 189 V N 3.058 123.052 119.914 0.133 0.000 2.427 189 V HA 0.215 nan 4.120 nan 0.000 0.268 189 V C -1.802 174.339 176.094 0.079 0.000 1.046 189 V CA -2.172 60.206 62.300 0.129 0.000 0.970 189 V CB -0.679 31.281 31.823 0.229 0.000 1.001 189 V HN -0.660 7.570 8.190 0.177 0.066 0.476 190 P HA 0.068 nan 4.420 nan 0.000 0.271 190 P C -0.057 177.244 177.300 0.002 0.000 1.226 190 P CA 0.818 63.933 63.100 0.024 0.000 0.765 190 P CB 0.379 32.093 31.700 0.024 0.000 0.835 191 G N 2.509 111.299 108.800 -0.016 0.000 2.179 191 G HA2 -0.285 nan 3.960 nan 0.000 0.260 191 G HA3 -0.285 nan 3.960 nan 0.000 0.260 191 G C -1.052 173.798 174.900 -0.083 0.000 0.977 191 G CA 0.119 45.196 45.100 -0.038 0.000 0.641 191 G HN 0.378 8.662 8.290 -0.010 0.000 0.533 192 V N -5.151 114.689 119.914 -0.123 0.000 2.823 192 V HA 0.539 nan 4.120 nan 0.000 0.312 192 V C -1.389 174.465 176.094 -0.399 0.000 1.072 192 V CA -1.641 60.486 62.300 -0.289 0.000 0.937 192 V CB 2.097 33.697 31.823 -0.371 0.000 1.013 192 V HN -0.798 7.280 8.190 -0.077 0.065 0.430 193 S N 1.431 116.813 115.700 -0.531 0.000 2.542 193 S HA 0.398 nan 4.470 nan 0.000 0.293 193 S C -1.925 172.336 174.600 -0.565 0.000 1.089 193 S CA -0.491 57.465 58.200 -0.407 0.000 0.961 193 S CB 2.690 65.786 63.200 -0.173 0.000 1.062 193 S HN 0.179 8.181 8.310 -0.513 0.000 0.483 194 F N -0.256 119.679 119.950 -0.026 0.000 2.551 194 F HA 0.316 nan 4.527 nan 0.000 0.316 194 F C 0.256 176.029 175.800 -0.046 0.000 1.089 194 F CA -1.230 56.746 58.000 -0.040 0.000 0.915 194 F CB 2.731 41.695 39.000 -0.060 0.000 1.186 194 F HN -0.163 8.191 8.300 0.089 0.000 0.456 195 T N 0.333 114.967 114.554 0.134 0.000 2.813 195 T HA 0.110 nan 4.350 nan 0.000 0.297 195 T C 0.905 175.622 174.700 0.027 0.000 1.036 195 T CA -0.963 61.173 62.100 0.060 0.000 1.044 195 T CB 1.277 70.167 68.868 0.036 0.000 0.993 195 T HN 0.463 9.085 8.240 0.136 -0.299 0.535 196 E N 0.743 120.941 120.200 -0.003 0.000 2.204 196 E HA -0.313 nan 4.350 nan 0.000 0.194 196 E C 2.366 178.920 176.600 -0.077 0.000 0.989 196 E CA 3.650 60.020 56.400 -0.051 0.000 0.824 196 E CB -0.414 29.283 29.700 -0.005 0.000 0.756 196 E HN 0.514 8.880 8.360 0.011 0.000 0.477 197 Q N -1.763 118.017 119.800 -0.034 0.000 2.083 197 Q HA -0.196 nan 4.340 nan 0.000 0.198 197 Q C 2.241 178.208 176.000 -0.056 0.000 0.969 197 Q CA 2.846 58.629 55.803 -0.033 0.000 0.838 197 Q CB -0.971 27.762 28.738 -0.009 0.000 0.900 197 Q HN 0.338 8.591 8.270 -0.011 0.009 0.436 198 E N 0.846 121.028 120.200 -0.030 0.000 2.077 198 E HA -0.316 nan 4.350 nan 0.000 0.193 198 E C 2.673 179.177 176.600 -0.160 0.000 0.989 198 E CA 2.945 59.331 56.400 -0.024 0.000 0.800 198 E CB -0.146 29.628 29.700 0.123 0.000 0.746 198 E HN -0.378 7.911 8.360 -0.002 0.070 0.452 199 V N -0.280 119.482 119.914 -0.255 0.000 2.287 199 V HA -0.416 nan 4.120 nan 0.000 0.248 199 V C 1.925 177.705 176.094 -0.522 0.000 1.053 199 V CA 4.370 66.369 62.300 -0.502 0.000 1.027 199 V CB -0.991 30.440 31.823 -0.654 0.000 0.646 199 V HN 0.112 8.203 8.190 -0.165 0.000 0.447 200 A N -1.233 121.352 122.820 -0.392 0.000 1.873 200 A HA -0.365 nan 4.320 nan 0.000 0.215 200 A C 1.867 179.404 177.584 -0.078 0.000 1.186 200 A CA 3.540 55.478 52.037 -0.166 0.000 0.616 200 A CB -0.808 18.184 19.000 -0.013 0.000 0.823 200 A HN -0.120 7.832 8.150 -0.329 0.000 0.442 201 D N -0.495 119.849 120.400 -0.093 0.000 2.097 201 D HA -0.232 nan 4.640 nan 0.000 0.195 201 D C 2.463 178.706 176.300 -0.094 0.000 0.989 201 D CA 3.324 57.280 54.000 -0.074 0.000 0.827 201 D CB -0.341 40.420 40.800 -0.065 0.000 0.966 201 D HN -0.294 8.013 8.370 -0.106 0.000 0.456 202 L N -0.894 120.252 121.223 -0.128 0.000 2.012 202 L HA -0.439 nan 4.340 nan 0.000 0.210 202 L C 2.140 178.965 176.870 -0.075 0.000 1.073 202 L CA 3.577 58.345 54.840 -0.120 0.000 0.748 202 L CB -0.166 41.779 42.059 -0.190 0.000 0.891 202 L HN 0.137 8.277 8.230 -0.149 0.000 0.431 203 T N 1.272 115.774 114.554 -0.087 0.000 2.720 203 T HA -0.421 nan 4.350 nan 0.000 0.268 203 T C 2.078 176.796 174.700 0.031 0.000 1.037 203 T CA 4.844 66.946 62.100 0.004 0.000 1.144 203 T CB -0.806 68.122 68.868 0.100 0.000 0.864 203 T HN 0.012 8.156 8.240 -0.161 0.000 0.444 204 K N 1.534 121.943 120.400 0.015 0.000 2.009 204 K HA -0.395 nan 4.320 nan 0.000 0.210 204 K C 1.836 178.422 176.600 -0.024 0.000 1.049 204 K CA 3.812 60.099 56.287 0.001 0.000 0.929 204 K CB -0.165 32.328 32.500 -0.010 0.000 0.714 204 K HN -0.338 7.916 8.250 0.007 0.000 0.440 205 R N -1.110 119.349 120.500 -0.068 0.000 2.091 205 R HA -0.281 nan 4.340 nan 0.000 0.238 205 R C 2.558 178.852 176.300 -0.010 0.000 1.136 205 R CA 3.144 59.160 56.100 -0.141 0.000 0.959 205 R CB -0.253 29.847 30.300 -0.334 0.000 0.856 205 R HN -0.458 7.766 8.270 -0.077 0.000 0.437 206 I N -2.189 118.443 120.570 0.104 0.000 2.202 206 I HA -0.451 nan 4.170 nan 0.000 0.242 206 I C 2.730 178.917 176.117 0.116 0.000 1.091 206 I CA 3.412 64.846 61.300 0.223 0.000 1.368 206 I CB 0.029 38.137 38.000 0.179 0.000 1.058 206 I HN 0.048 8.291 8.210 0.055 0.000 0.410 207 Q N -0.601 119.229 119.800 0.051 0.000 2.170 207 Q HA -0.374 nan 4.340 nan 0.000 0.203 207 Q C 1.740 177.735 176.000 -0.009 0.000 0.976 207 Q CA 3.371 59.177 55.803 0.006 0.000 0.858 207 Q CB 0.038 28.773 28.738 -0.004 0.000 0.907 207 Q HN 0.123 8.420 8.270 0.046 0.000 0.433 208 N N -2.360 116.343 118.700 0.006 0.000 2.230 208 N HA 0.118 nan 4.740 nan 0.000 0.202 208 N C 0.188 175.711 175.510 0.022 0.000 1.119 208 N CA 0.218 53.266 53.050 -0.004 0.000 0.851 208 N CB 0.261 38.738 38.487 -0.017 0.000 0.990 208 N HN -0.162 8.225 8.380 0.010 0.000 0.497 209 A N 0.521 123.384 122.820 0.073 0.000 1.940 209 A HA -0.227 nan 4.320 nan 0.000 0.219 209 A C 1.596 179.235 177.584 0.093 0.000 1.176 209 A CA 3.594 55.711 52.037 0.132 0.000 0.631 209 A CB -0.561 18.603 19.000 0.273 0.000 0.814 209 A HN -0.641 7.488 8.150 0.085 0.071 0.446 210 G N -3.752 105.088 108.800 0.067 0.000 2.408 210 G HA2 -0.355 nan 3.960 nan 0.000 0.217 210 G HA3 -0.355 nan 3.960 nan 0.000 0.217 210 G C 1.111 176.029 174.900 0.030 0.000 1.150 210 G CA 2.095 47.228 45.100 0.055 0.000 0.776 210 G HN 0.481 8.807 8.290 0.060 0.000 0.542 211 T N 4.933 119.495 114.554 0.012 0.000 2.867 211 T HA -0.246 nan 4.350 nan 0.000 0.268 211 T C 1.491 176.196 174.700 0.008 0.000 1.057 211 T CA 4.614 66.716 62.100 0.003 0.000 1.136 211 T CB -0.614 68.249 68.868 -0.009 0.000 0.874 211 T HN -0.700 7.521 8.240 0.009 0.024 0.466 212 E N 1.755 121.965 120.200 0.015 0.000 2.110 212 E HA -0.317 nan 4.350 nan 0.000 0.193 212 E C 1.922 178.536 176.600 0.022 0.000 0.988 212 E CA 3.410 59.818 56.400 0.014 0.000 0.804 212 E CB -0.061 29.649 29.700 0.016 0.000 0.745 212 E HN -0.266 8.026 8.360 0.021 0.081 0.458 213 V N 0.566 120.499 119.914 0.033 0.000 2.379 213 V HA -0.296 nan 4.120 nan 0.000 0.245 213 V C 2.046 178.151 176.094 0.019 0.000 1.044 213 V CA 4.189 66.507 62.300 0.031 0.000 1.036 213 V CB -0.560 31.286 31.823 0.038 0.000 0.664 213 V HN -0.510 7.705 8.190 0.041 0.000 0.453 214 V N -0.036 119.888 119.914 0.016 0.000 2.332 214 V HA -0.526 nan 4.120 nan 0.000 0.248 214 V C 2.249 178.347 176.094 0.006 0.000 1.055 214 V CA 4.426 66.732 62.300 0.010 0.000 1.038 214 V CB -1.091 30.736 31.823 0.007 0.000 0.651 214 V HN -0.126 8.076 8.190 0.020 0.000 0.450 215 E N -1.698 118.506 120.200 0.005 0.000 2.047 215 E HA -0.277 nan 4.350 nan 0.000 0.191 215 E C 2.421 179.023 176.600 0.003 0.000 0.987 215 E CA 2.824 59.226 56.400 0.002 0.000 0.799 215 E CB -0.421 29.278 29.700 -0.001 0.000 0.752 215 E HN 0.079 8.443 8.360 0.006 0.000 0.449 216 A N -0.858 121.966 122.820 0.006 0.000 2.015 216 A HA -0.145 nan 4.320 nan 0.000 0.219 216 A C 1.570 179.158 177.584 0.007 0.000 1.163 216 A CA 2.346 54.387 52.037 0.007 0.000 0.646 216 A CB -0.104 18.903 19.000 0.012 0.000 0.806 216 A HN -0.214 7.873 8.150 0.009 0.068 0.448 217 K N -3.564 116.840 120.400 0.007 0.000 2.365 217 K HA -0.040 nan 4.320 nan 0.000 0.197 217 K C -0.509 176.093 176.600 0.003 0.000 1.042 217 K CA 0.137 56.427 56.287 0.005 0.000 0.987 217 K CB 0.587 33.090 32.500 0.006 0.000 0.779 217 K HN -0.001 8.254 8.250 0.008 0.000 0.484 218 A N -2.097 120.724 122.820 0.002 0.000 2.791 218 A HA -0.256 nan 4.320 nan 0.000 0.292 218 A C 0.364 177.948 177.584 0.000 0.000 1.487 218 A CA 0.648 52.686 52.037 0.001 0.000 0.760 218 A CB -2.228 16.773 19.000 0.001 0.000 1.031 218 A HN -0.458 7.548 8.150 0.003 0.146 0.503 219 G N -4.845 103.955 108.800 0.000 0.000 2.194 219 G HA2 -0.306 nan 3.960 nan 0.000 0.236 219 G HA3 -0.306 nan 3.960 nan 0.000 0.236 219 G C 0.302 175.201 174.900 -0.001 0.000 0.987 219 G CA 0.024 45.124 45.100 -0.001 0.000 0.635 219 G HN -0.016 8.275 8.290 0.001 0.000 0.520 220 G N -0.163 108.637 108.800 -0.000 0.000 3.262 220 G HA2 0.005 nan 3.960 nan 0.000 0.228 220 G HA3 0.005 nan 3.960 nan 0.000 0.228 220 G C -1.402 173.497 174.900 -0.001 0.000 1.197 220 G CA -0.298 44.802 45.100 -0.001 0.000 0.819 220 G HN -0.268 7.824 8.290 0.000 0.198 0.531 221 G N -1.816 106.984 108.800 -0.000 0.000 2.422 221 G HA2 -0.214 nan 3.960 nan 0.000 0.607 221 G HA3 -0.214 nan 3.960 nan 0.000 0.607 221 G C -2.050 172.852 174.900 0.003 0.000 1.270 221 G CA -0.803 44.297 45.100 0.000 0.000 0.992 221 G HN -0.544 7.658 8.290 0.000 0.087 0.499 222 S N -0.574 115.129 115.700 0.005 0.000 2.786 222 S HA 0.168 nan 4.470 nan 0.000 0.302 222 S C -0.811 173.795 174.600 0.010 0.000 1.080 222 S CA -1.372 56.834 58.200 0.010 0.000 0.925 222 S CB 2.402 65.610 63.200 0.012 0.000 1.325 222 S HN 0.053 8.364 8.310 0.002 0.000 0.576 223 A N -0.228 122.601 122.820 0.015 0.000 2.451 223 A HA 0.170 nan 4.320 nan 0.000 0.266 223 A C -0.081 177.503 177.584 0.001 0.000 1.119 223 A CA 0.980 53.024 52.037 0.011 0.000 0.786 223 A CB -0.147 18.863 19.000 0.017 0.000 1.061 223 A HN 0.263 8.426 8.150 0.021 0.000 0.503 224 T N -1.107 113.447 114.554 -0.001 0.000 3.098 224 T HA 0.124 nan 4.350 nan 0.000 0.246 224 T C 1.292 175.988 174.700 -0.008 0.000 0.983 224 T CA 1.198 63.294 62.100 -0.006 0.000 1.094 224 T CB 0.464 69.329 68.868 -0.005 0.000 1.035 224 T HN 0.257 8.498 8.240 0.001 0.000 0.456 225 L N 1.697 122.917 121.223 -0.005 0.000 2.044 225 L HA -0.254 nan 4.340 nan 0.000 0.205 225 L C 1.668 178.532 176.870 -0.010 0.000 1.075 225 L CA 3.440 58.276 54.840 -0.006 0.000 0.747 225 L CB -0.515 41.542 42.059 -0.003 0.000 0.903 225 L HN 0.149 8.378 8.230 -0.003 0.000 0.435 226 S N -0.672 115.021 115.700 -0.011 0.000 2.399 226 S HA -0.331 nan 4.470 nan 0.000 0.231 226 S C 1.822 176.406 174.600 -0.028 0.000 1.022 226 S CA 3.027 61.215 58.200 -0.020 0.000 0.983 226 S CB -0.418 62.769 63.200 -0.021 0.000 0.803 226 S HN -0.253 8.053 8.310 -0.006 0.000 0.480 227 M N 2.319 121.903 119.600 -0.026 0.000 2.175 227 M HA -0.111 nan 4.480 nan 0.000 0.264 227 M C 1.669 177.952 176.300 -0.027 0.000 1.063 227 M CA 1.484 56.761 55.300 -0.038 0.000 1.119 227 M CB -0.554 32.022 32.600 -0.039 0.000 1.377 227 M HN -0.096 8.183 8.290 -0.019 0.000 0.415 228 G N -1.831 106.959 108.800 -0.016 0.000 2.418 228 G HA2 -0.449 nan 3.960 nan 0.000 0.217 228 G HA3 -0.449 nan 3.960 nan 0.000 0.217 228 G C 0.868 175.764 174.900 -0.006 0.000 1.158 228 G CA 2.075 47.170 45.100 -0.008 0.000 0.771 228 G HN 0.324 8.495 8.290 -0.015 0.110 0.545 229 Q N 2.517 122.311 119.800 -0.010 0.000 2.061 229 Q HA -0.333 nan 4.340 nan 0.000 0.204 229 Q C 2.128 178.124 176.000 -0.006 0.000 0.984 229 Q CA 2.635 58.432 55.803 -0.010 0.000 0.846 229 Q CB -0.589 28.140 28.738 -0.016 0.000 0.902 229 Q HN -0.113 8.150 8.270 -0.013 0.000 0.421 230 A N -1.307 121.504 122.820 -0.015 0.000 1.902 230 A HA -0.263 nan 4.320 nan 0.000 0.217 230 A C 1.915 179.513 177.584 0.022 0.000 1.181 230 A CA 2.862 54.891 52.037 -0.013 0.000 0.623 230 A CB -0.927 18.044 19.000 -0.049 0.000 0.818 230 A HN -0.130 8.006 8.150 -0.024 0.000 0.443 231 A N -2.541 120.289 122.820 0.017 0.000 1.969 231 A HA -0.255 nan 4.320 nan 0.000 0.218 231 A C 1.763 179.394 177.584 0.079 0.000 1.169 231 A CA 2.728 54.802 52.037 0.062 0.000 0.635 231 A CB -0.652 18.368 19.000 0.033 0.000 0.810 231 A HN 0.094 8.241 8.150 -0.006 0.000 0.445 232 A N -1.068 121.774 122.820 0.037 0.000 1.898 232 A HA -0.314 nan 4.320 nan 0.000 0.216 232 A C 1.639 179.229 177.584 0.010 0.000 1.181 232 A CA 3.048 55.096 52.037 0.018 0.000 0.620 232 A CB -0.854 18.149 19.000 0.005 0.000 0.819 232 A HN -0.010 8.153 8.150 0.023 0.000 0.442 233 R N -0.539 119.974 120.500 0.021 0.000 2.083 233 R HA -0.359 nan 4.340 nan 0.000 0.237 233 R C 1.940 178.251 176.300 0.018 0.000 1.137 233 R CA 3.281 59.390 56.100 0.016 0.000 0.951 233 R CB -0.106 30.210 30.300 0.026 0.000 0.851 233 R HN -0.214 8.069 8.270 0.022 0.000 0.434 234 F N -0.801 119.110 119.950 -0.066 0.000 2.102 234 F HA -0.298 nan 4.527 nan 0.000 0.298 234 F C 1.718 177.455 175.800 -0.105 0.000 1.105 234 F CA 3.157 61.103 58.000 -0.091 0.000 1.239 234 F CB -0.147 38.797 39.000 -0.094 0.000 0.991 234 F HN -0.184 8.232 8.300 0.193 0.000 0.474 235 G N -1.302 107.418 108.800 -0.132 0.000 2.418 235 G HA2 -0.395 nan 3.960 nan 0.000 0.217 235 G HA3 -0.395 nan 3.960 nan 0.000 0.217 235 G C 1.030 175.806 174.900 -0.207 0.000 1.158 235 G CA 2.211 47.200 45.100 -0.186 0.000 0.771 235 G HN 0.369 8.694 8.290 0.058 0.000 0.545 236 L N 0.582 121.720 121.223 -0.142 0.000 2.131 236 L HA -0.430 nan 4.340 nan 0.000 0.210 236 L C 2.226 178.996 176.870 -0.166 0.000 1.092 236 L CA 2.940 57.706 54.840 -0.123 0.000 0.759 236 L CB -0.315 41.700 42.059 -0.074 0.000 0.903 236 L HN 0.221 8.393 8.230 -0.097 0.000 0.435 237 S N 0.411 115.973 115.700 -0.230 0.000 2.368 237 S HA -0.296 nan 4.470 nan 0.000 0.225 237 S C 1.981 176.383 174.600 -0.330 0.000 1.030 237 S CA 4.407 62.454 58.200 -0.256 0.000 0.999 237 S CB -0.267 62.765 63.200 -0.279 0.000 0.844 237 S HN -0.222 7.955 8.310 -0.222 0.000 0.459 238 L N 1.161 122.076 121.223 -0.514 0.000 2.012 238 L HA -0.398 nan 4.340 nan 0.000 0.210 238 L C 1.683 178.411 176.870 -0.238 0.000 1.073 238 L CA 3.656 58.222 54.840 -0.456 0.000 0.748 238 L CB -0.184 41.536 42.059 -0.565 0.000 0.891 238 L HN 0.188 8.019 8.230 -0.665 0.000 0.431 239 V N -1.141 118.660 119.914 -0.189 0.000 2.343 239 V HA -0.523 nan 4.120 nan 0.000 0.247 239 V C 2.313 178.354 176.094 -0.088 0.000 1.051 239 V CA 4.315 66.548 62.300 -0.111 0.000 1.036 239 V CB -0.825 30.947 31.823 -0.085 0.000 0.654 239 V HN 0.086 8.143 8.190 -0.221 0.000 0.451 240 R N -1.179 119.263 120.500 -0.097 0.000 2.083 240 R HA -0.423 nan 4.340 nan 0.000 0.237 240 R C 2.089 178.350 176.300 -0.065 0.000 1.137 240 R CA 3.797 59.854 56.100 -0.072 0.000 0.951 240 R CB -0.359 29.898 30.300 -0.072 0.000 0.851 240 R HN 0.062 8.261 8.270 -0.117 0.000 0.434 241 A N -0.824 121.945 122.820 -0.085 0.000 1.877 241 A HA -0.189 nan 4.320 nan 0.000 0.216 241 A C 2.855 180.412 177.584 -0.044 0.000 1.186 241 A CA 2.897 54.897 52.037 -0.063 0.000 0.620 241 A CB -0.758 18.195 19.000 -0.078 0.000 0.822 241 A HN -0.258 7.821 8.150 -0.118 0.000 0.443 242 L N -2.894 118.298 121.223 -0.053 0.000 2.131 242 L HA -0.422 nan 4.340 nan 0.000 0.210 242 L C 1.638 178.495 176.870 -0.022 0.000 1.092 242 L CA 2.493 57.315 54.840 -0.030 0.000 0.759 242 L CB -0.293 41.746 42.059 -0.033 0.000 0.903 242 L HN -0.101 8.081 8.230 -0.079 0.000 0.435 243 Q N -6.162 113.621 119.800 -0.028 0.000 2.444 243 Q HA -0.118 nan 4.340 nan 0.000 0.206 243 Q C 0.927 176.917 176.000 -0.017 0.000 0.948 243 Q CA 0.394 56.185 55.803 -0.021 0.000 0.946 243 Q CB 0.667 29.391 28.738 -0.024 0.000 1.027 243 Q HN -0.462 7.768 8.270 -0.039 0.016 0.513 244 G N -2.238 106.551 108.800 -0.017 0.000 2.184 244 G HA2 -0.317 nan 3.960 nan 0.000 0.206 244 G HA3 -0.317 nan 3.960 nan 0.000 0.206 244 G C -0.676 174.216 174.900 -0.013 0.000 0.995 244 G CA -0.451 44.642 45.100 -0.012 0.000 0.651 244 G HN -0.429 7.657 8.290 -0.022 0.191 0.511 245 E N 1.137 121.326 120.200 -0.019 0.000 2.414 245 E HA -0.135 nan 4.350 nan 0.000 0.263 245 E C -0.452 176.140 176.600 -0.014 0.000 1.000 245 E CA 0.016 56.406 56.400 -0.018 0.000 0.914 245 E CB 0.653 30.338 29.700 -0.025 0.000 0.948 245 E HN -0.396 7.950 8.360 -0.024 0.000 0.444 246 Q N 3.865 123.659 119.800 -0.009 0.000 2.235 246 Q HA 0.114 nan 4.340 nan 0.000 0.250 246 Q C 0.857 176.856 176.000 -0.002 0.000 0.909 246 Q CA -0.177 55.624 55.803 -0.004 0.000 0.910 246 Q CB 0.456 29.193 28.738 -0.000 0.000 1.223 246 Q HN 0.399 8.664 8.270 -0.009 0.000 0.432 247 G N 0.647 109.449 108.800 0.003 0.000 2.160 247 G HA2 -0.327 nan 3.960 nan 0.000 0.251 247 G HA3 -0.327 nan 3.960 nan 0.000 0.251 247 G C -0.554 174.349 174.900 0.004 0.000 1.008 247 G CA -0.017 45.087 45.100 0.007 0.000 0.724 247 G HN 0.413 8.706 8.290 0.005 0.000 0.514 248 V N 2.620 122.532 119.914 -0.004 0.000 2.415 248 V HA -0.011 nan 4.120 nan 0.000 0.267 248 V C -1.254 174.841 176.094 0.003 0.000 1.042 248 V CA 0.853 63.145 62.300 -0.014 0.000 1.000 248 V CB -0.794 31.003 31.823 -0.042 0.000 1.015 248 V HN -0.155 7.978 8.190 -0.007 0.053 0.478 249 V N 6.561 126.485 119.914 0.017 0.000 2.540 249 V HA 0.768 nan 4.120 nan 0.000 0.302 249 V C -1.308 174.822 176.094 0.059 0.000 1.035 249 V CA -1.873 60.453 62.300 0.044 0.000 0.873 249 V CB 1.870 33.724 31.823 0.051 0.000 0.992 249 V HN 0.081 8.278 8.190 0.012 0.000 0.428 250 E N 6.008 126.268 120.200 0.098 0.000 2.340 250 E HA 0.360 nan 4.350 nan 0.000 0.273 250 E C -1.034 175.663 176.600 0.161 0.000 0.891 250 E CA -1.930 54.556 56.400 0.143 0.000 0.757 250 E CB 4.683 34.526 29.700 0.240 0.000 1.231 250 E HN 0.039 8.465 8.360 0.110 0.000 0.439 251 C N 1.735 121.108 119.300 0.121 0.000 2.514 251 C HA 0.470 nan 4.460 nan 0.000 0.392 251 C C -0.859 174.180 174.990 0.083 0.000 1.294 251 C CA 0.180 59.257 59.018 0.098 0.000 1.957 251 C CB -0.755 27.013 27.740 0.048 0.000 2.541 251 C HN 0.628 8.918 8.230 0.100 0.000 0.569 252 A N 5.212 128.105 122.820 0.122 0.000 2.606 252 A HA 0.450 nan 4.320 nan 0.000 0.293 252 A C -2.709 174.990 177.584 0.192 0.000 1.082 252 A CA -0.769 51.327 52.037 0.098 0.000 0.685 252 A CB 3.494 22.597 19.000 0.173 0.000 1.284 252 A HN -0.009 8.237 8.150 0.160 0.000 0.408 253 Y N 1.821 122.136 120.300 0.026 0.000 2.436 253 Y HA 0.110 nan 4.550 nan 0.000 0.343 253 Y C -2.250 173.741 175.900 0.152 0.000 1.008 253 Y CA 0.514 58.652 58.100 0.064 0.000 1.241 253 Y CB 0.391 38.859 38.460 0.013 0.000 1.153 253 Y HN -0.125 8.273 8.280 0.196 0.000 0.521 254 V N 7.909 127.840 119.914 0.029 0.000 3.049 254 V HA 0.297 nan 4.120 nan 0.000 0.309 254 V C -2.407 173.709 176.094 0.037 0.000 1.148 254 V CA -1.801 60.537 62.300 0.064 0.000 0.990 254 V CB 5.201 37.055 31.823 0.052 0.000 1.039 254 V HN 0.115 8.170 8.190 -0.050 0.105 0.430 255 E N 3.799 124.019 120.200 0.033 0.000 2.257 255 E HA 0.210 nan 4.350 nan 0.000 0.278 255 E C -1.162 175.344 176.600 -0.157 0.000 1.049 255 E CA -0.115 56.121 56.400 -0.273 0.000 0.876 255 E CB 1.337 30.832 29.700 -0.341 0.000 1.035 255 E HN 0.578 8.991 8.360 0.088 0.000 0.419 256 G N 5.441 114.147 108.800 -0.158 0.000 3.259 256 G HA2 0.158 nan 3.960 nan 0.000 0.178 256 G HA3 0.158 nan 3.960 nan 0.000 0.178 256 G C -1.706 173.135 174.900 -0.098 0.000 1.129 256 G CA 0.060 45.113 45.100 -0.078 0.000 0.816 256 G HN -0.124 8.026 8.290 -0.233 0.000 0.634 257 D N -1.663 118.691 120.400 -0.076 0.000 2.363 257 D HA -0.079 nan 4.640 nan 0.000 0.226 257 D C 1.108 177.330 176.300 -0.130 0.000 1.020 257 D CA 0.009 53.952 54.000 -0.096 0.000 0.892 257 D CB -0.067 40.682 40.800 -0.086 0.000 0.900 257 D HN -0.102 8.240 8.370 -0.045 0.000 0.531 258 G N 0.252 108.965 108.800 -0.144 0.000 2.168 258 G HA2 -0.435 nan 3.960 nan 0.000 0.263 258 G HA3 -0.435 nan 3.960 nan 0.000 0.263 258 G C -0.122 174.654 174.900 -0.206 0.000 0.977 258 G CA 0.181 45.188 45.100 -0.155 0.000 0.659 258 G HN 0.299 8.437 8.290 -0.126 0.077 0.533 259 Q N -1.405 118.215 119.800 -0.299 0.000 2.224 259 Q HA -0.231 nan 4.340 nan 0.000 0.203 259 Q C 0.458 176.041 176.000 -0.696 0.000 0.970 259 Q CA 2.238 57.753 55.803 -0.480 0.000 0.865 259 Q CB 0.292 28.672 28.738 -0.595 0.000 0.922 259 Q HN -0.348 7.990 8.270 -0.261 -0.225 0.445 260 Y N -3.314 116.788 120.300 -0.329 0.000 2.472 260 Y HA -0.072 nan 4.550 nan 0.000 0.288 260 Y C -1.440 174.342 175.900 -0.197 0.000 1.154 260 Y CA 0.266 58.143 58.100 -0.372 0.000 1.238 260 Y CB 1.456 39.394 38.460 -0.870 0.000 1.287 260 Y HN 0.016 8.006 8.280 -0.421 0.037 0.524 261 A N -4.848 117.967 122.820 -0.008 0.000 2.599 261 A HA 0.244 nan 4.320 nan 0.000 0.290 261 A C -1.531 176.053 177.584 -0.001 0.000 1.101 261 A CA -0.577 51.496 52.037 0.061 0.000 0.674 261 A CB 2.337 21.460 19.000 0.204 0.000 1.277 261 A HN -0.776 7.331 8.150 -0.073 0.000 0.419 262 R N -1.654 118.822 120.500 -0.040 0.000 2.083 262 R HA -0.198 nan 4.340 nan 0.000 0.237 262 R C -0.719 175.299 176.300 -0.469 0.000 1.137 262 R CA 2.769 58.724 56.100 -0.242 0.000 0.951 262 R CB 0.442 30.581 30.300 -0.269 0.000 0.851 262 R HN 0.267 8.551 8.270 0.024 0.000 0.434 263 F N -6.425 113.474 119.950 -0.086 0.000 2.450 263 F HA 0.479 nan 4.527 nan 0.000 0.332 263 F C -0.969 174.674 175.800 -0.262 0.000 1.093 263 F CA -1.272 56.516 58.000 -0.353 0.000 1.003 263 F CB 2.206 40.777 39.000 -0.716 0.000 1.151 263 F HN -0.791 7.548 8.300 0.064 0.000 0.474 264 F N 3.447 123.209 119.950 -0.312 0.000 2.654 264 F HA 0.165 nan 4.527 nan 0.000 0.314 264 F C -2.254 173.579 175.800 0.054 0.000 1.116 264 F CA -0.287 57.695 58.000 -0.031 0.000 1.017 264 F CB 4.291 43.334 39.000 0.073 0.000 1.285 264 F HN 0.657 8.876 8.300 -0.135 0.000 0.448 265 S N 5.050 120.613 115.700 -0.228 0.000 2.489 265 S HA 0.490 nan 4.470 nan 0.000 0.277 265 S C -1.660 172.843 174.600 -0.162 0.000 1.230 265 S CA -0.150 57.998 58.200 -0.087 0.000 1.053 265 S CB 0.375 63.557 63.200 -0.028 0.000 0.955 265 S HN 0.634 8.580 8.310 -0.439 0.101 0.488 266 Q N 4.089 123.924 119.800 0.059 0.000 2.630 266 Q HA 0.567 nan 4.340 nan 0.000 0.295 266 Q C -2.990 173.085 176.000 0.125 0.000 0.944 266 Q CA -2.633 53.245 55.803 0.124 0.000 0.766 266 Q CB 0.762 29.658 28.738 0.263 0.000 1.471 266 Q HN -0.207 8.124 8.270 0.102 0.000 0.416 267 P HA 0.092 nan 4.420 nan 0.000 0.271 267 P C -1.693 175.683 177.300 0.127 0.000 1.216 267 P CA 0.483 63.651 63.100 0.113 0.000 0.776 267 P CB 0.153 31.910 31.700 0.094 0.000 0.881 268 L N 1.223 122.527 121.223 0.136 0.000 2.410 268 L HA 0.650 nan 4.340 nan 0.000 0.270 268 L C -1.689 175.253 176.870 0.120 0.000 0.983 268 L CA -1.363 53.567 54.840 0.150 0.000 0.822 268 L CB 3.713 45.907 42.059 0.226 0.000 1.285 268 L HN -0.208 8.104 8.230 0.136 0.000 0.409 269 L N 3.536 124.818 121.223 0.098 0.000 2.278 269 L HA 0.517 nan 4.340 nan 0.000 0.287 269 L C -1.984 174.933 176.870 0.079 0.000 1.072 269 L CA -0.888 53.996 54.840 0.072 0.000 0.819 269 L CB 1.095 43.187 42.059 0.055 0.000 1.176 269 L HN 0.596 8.884 8.230 0.097 0.000 0.435 270 L N 6.389 127.646 121.223 0.056 0.000 2.343 270 L HA 0.677 nan 4.340 nan 0.000 0.275 270 L C -0.761 176.123 176.870 0.024 0.000 1.056 270 L CA -0.781 54.088 54.840 0.047 0.000 0.804 270 L CB 0.847 42.895 42.059 -0.018 0.000 1.203 270 L HN 0.529 8.782 8.230 0.039 0.000 0.440 271 G N -1.430 107.389 108.800 0.032 0.000 3.058 271 G HA2 0.374 nan 3.960 nan 0.000 0.282 271 G HA3 0.374 nan 3.960 nan 0.000 0.282 271 G C -0.296 174.613 174.900 0.015 0.000 1.248 271 G CA -0.355 44.756 45.100 0.018 0.000 0.822 271 G HN 0.296 8.618 8.290 0.054 0.000 0.579 272 K N -0.149 120.259 120.400 0.013 0.000 2.439 272 K HA -0.154 nan 4.320 nan 0.000 0.197 272 K C 0.413 177.026 176.600 0.021 0.000 1.041 272 K CA 2.280 58.573 56.287 0.010 0.000 0.970 272 K CB 0.077 32.581 32.500 0.006 0.000 0.773 272 K HN 0.442 8.700 8.250 0.013 0.000 0.479 273 N N -3.852 114.868 118.700 0.033 0.000 2.282 273 N HA 0.168 nan 4.740 nan 0.000 0.240 273 N C -0.989 174.565 175.510 0.073 0.000 1.182 273 N CA -0.614 52.460 53.050 0.040 0.000 0.874 273 N CB 1.142 39.644 38.487 0.024 0.000 1.126 273 N HN -0.281 8.061 8.380 0.033 0.058 0.516 274 G N -0.872 107.996 108.800 0.113 0.000 2.601 274 G HA2 -0.334 nan 3.960 nan 0.000 0.224 274 G HA3 -0.334 nan 3.960 nan 0.000 0.224 274 G C -2.197 172.849 174.900 0.244 0.000 1.171 274 G CA -0.441 44.802 45.100 0.237 0.000 1.009 274 G HN -0.711 7.629 8.290 0.084 0.000 0.589 275 V N 2.037 122.111 119.914 0.266 0.000 2.508 275 V HA 0.215 nan 4.120 nan 0.000 0.281 275 V C -0.635 175.520 176.094 0.101 0.000 1.041 275 V CA -0.085 62.338 62.300 0.204 0.000 1.016 275 V CB 0.014 31.967 31.823 0.218 0.000 0.984 275 V HN -0.167 8.044 8.190 0.227 0.115 0.478 276 E N 8.653 128.906 120.200 0.089 0.000 2.057 276 E HA 0.029 nan 4.350 nan 0.000 0.190 276 E C -0.255 176.373 176.600 0.047 0.000 0.969 276 E CA 1.699 58.132 56.400 0.055 0.000 0.812 276 E CB 1.762 31.491 29.700 0.047 0.000 0.777 276 E HN 0.705 9.036 8.360 0.107 0.093 0.455 277 E N -1.888 118.347 120.200 0.059 0.000 2.331 277 E HA 0.269 nan 4.350 nan 0.000 0.275 277 E C -1.493 175.151 176.600 0.073 0.000 0.895 277 E CA -1.657 54.776 56.400 0.054 0.000 0.753 277 E CB 2.847 32.572 29.700 0.043 0.000 1.216 277 E HN -0.512 7.891 8.360 0.070 0.000 0.434 278 R N 2.632 123.172 120.500 0.067 0.000 2.220 278 R HA 0.065 nan 4.340 nan 0.000 0.340 278 R C 0.003 176.353 176.300 0.084 0.000 1.076 278 R CA -0.070 56.082 56.100 0.086 0.000 0.920 278 R CB 0.133 30.480 30.300 0.078 0.000 1.062 278 R HN 0.412 8.712 8.270 0.051 0.000 0.469 279 K N 5.853 126.309 120.400 0.094 0.000 2.126 279 K HA -0.002 nan 4.320 nan 0.000 0.257 279 K C -0.719 175.941 176.600 0.100 0.000 1.007 279 K CA -0.290 56.048 56.287 0.085 0.000 0.928 279 K CB 0.860 33.408 32.500 0.080 0.000 1.013 279 K HN 0.093 8.407 8.250 0.107 0.000 0.473 280 S N -0.334 115.418 115.700 0.087 0.000 2.562 280 S HA -0.077 nan 4.470 nan 0.000 0.281 280 S C 1.090 175.758 174.600 0.114 0.000 1.333 280 S CA -0.134 58.125 58.200 0.098 0.000 1.052 280 S CB 0.486 63.731 63.200 0.075 0.000 0.884 280 S HN -0.074 8.280 8.310 0.072 0.000 0.506 281 I N 2.020 122.676 120.570 0.143 0.000 3.176 281 I HA 0.138 nan 4.170 nan 0.000 0.275 281 I C -0.035 176.144 176.117 0.105 0.000 1.298 281 I CA -0.007 61.376 61.300 0.139 0.000 1.445 281 I CB -0.253 37.854 38.000 0.178 0.000 1.075 281 I HN 0.290 8.598 8.210 0.164 0.000 0.482 282 G N 0.457 109.313 108.800 0.094 0.000 2.642 282 G HA2 -0.361 nan 3.960 nan 0.000 0.231 282 G HA3 -0.361 nan 3.960 nan 0.000 0.231 282 G C -1.478 173.467 174.900 0.074 0.000 1.338 282 G CA -0.682 44.463 45.100 0.076 0.000 0.883 282 G HN -0.706 7.582 8.290 0.098 0.061 0.570 283 T N -1.967 112.626 114.554 0.065 0.000 2.806 283 T HA 0.170 nan 4.350 nan 0.000 0.290 283 T C -0.540 174.201 174.700 0.067 0.000 0.966 283 T CA -0.472 61.666 62.100 0.063 0.000 1.060 283 T CB 0.878 69.779 68.868 0.054 0.000 0.927 283 T HN -0.116 8.161 8.240 0.061 0.000 0.485 284 L N 3.083 124.348 121.223 0.069 0.000 2.322 284 L HA 0.441 nan 4.340 nan 0.000 0.279 284 L C 0.268 177.184 176.870 0.077 0.000 1.036 284 L CA -1.212 53.672 54.840 0.074 0.000 0.807 284 L CB 1.653 43.752 42.059 0.067 0.000 1.226 284 L HN 0.195 8.465 8.230 0.066 0.000 0.433 285 S N 3.984 119.740 115.700 0.093 0.000 2.606 285 S HA -0.011 nan 4.470 nan 0.000 0.257 285 S C 1.053 175.719 174.600 0.110 0.000 1.327 285 S CA -0.412 57.850 58.200 0.103 0.000 0.984 285 S CB 1.461 64.734 63.200 0.121 0.000 0.941 285 S HN 0.188 8.854 8.310 0.098 -0.297 0.576 286 A N 0.810 123.696 122.820 0.109 0.000 1.902 286 A HA -0.226 nan 4.320 nan 0.000 0.217 286 A C 1.669 179.318 177.584 0.108 0.000 1.181 286 A CA 2.993 55.086 52.037 0.092 0.000 0.623 286 A CB -0.811 18.239 19.000 0.083 0.000 0.818 286 A HN 0.628 8.838 8.150 0.100 0.000 0.443 287 F N 0.381 120.338 119.950 0.012 0.000 2.091 287 F HA -0.394 nan 4.527 nan 0.000 0.299 287 F C 1.377 177.178 175.800 0.002 0.000 1.103 287 F CA 2.916 60.919 58.000 0.005 0.000 1.228 287 F CB 0.034 39.034 39.000 -0.000 0.000 0.984 287 F HN -0.372 8.098 8.300 0.283 0.000 0.477 288 E N -1.736 118.613 120.200 0.249 0.000 2.106 288 E HA -0.447 nan 4.350 nan 0.000 0.192 288 E C 2.459 179.070 176.600 0.019 0.000 0.984 288 E CA 3.314 59.797 56.400 0.140 0.000 0.806 288 E CB -0.294 29.498 29.700 0.153 0.000 0.750 288 E HN -0.470 7.992 8.360 0.297 0.076 0.458 289 Q N -1.084 118.732 119.800 0.025 0.000 2.084 289 Q HA -0.400 nan 4.340 nan 0.000 0.202 289 Q C 2.557 178.535 176.000 -0.036 0.000 0.978 289 Q CA 3.249 59.055 55.803 0.005 0.000 0.844 289 Q CB -0.182 28.571 28.738 0.025 0.000 0.898 289 Q HN 0.267 8.573 8.270 0.060 0.000 0.426 290 N N -0.280 118.372 118.700 -0.080 0.000 2.106 290 N HA -0.297 nan 4.740 nan 0.000 0.188 290 N C 1.836 177.249 175.510 -0.162 0.000 1.029 290 N CA 3.027 56.003 53.050 -0.123 0.000 0.848 290 N CB -0.087 38.296 38.487 -0.172 0.000 1.007 290 N HN -0.302 8.037 8.380 -0.069 0.000 0.423 291 A N 0.009 122.677 122.820 -0.253 0.000 1.908 291 A HA -0.301 nan 4.320 nan 0.000 0.218 291 A C 2.154 179.682 177.584 -0.093 0.000 1.181 291 A CA 2.975 54.884 52.037 -0.214 0.000 0.627 291 A CB -0.652 18.195 19.000 -0.255 0.000 0.818 291 A HN 0.040 7.995 8.150 -0.325 0.000 0.445 292 L N -2.200 118.985 121.223 -0.062 0.000 2.017 292 L HA -0.380 nan 4.340 nan 0.000 0.208 292 L C 1.936 178.797 176.870 -0.016 0.000 1.073 292 L CA 3.003 57.823 54.840 -0.034 0.000 0.745 292 L CB -0.288 41.726 42.059 -0.075 0.000 0.894 292 L HN 0.055 8.243 8.230 -0.069 0.000 0.432 293 E N -2.468 117.721 120.200 -0.018 0.000 2.110 293 E HA -0.324 nan 4.350 nan 0.000 0.193 293 E C 3.061 179.660 176.600 -0.001 0.000 0.988 293 E CA 2.565 58.968 56.400 0.005 0.000 0.804 293 E CB -0.257 29.443 29.700 -0.000 0.000 0.745 293 E HN -0.311 8.030 8.360 -0.032 0.000 0.458 294 G N -1.742 107.042 108.800 -0.027 0.000 2.484 294 G HA2 -0.114 nan 3.960 nan 0.000 0.218 294 G HA3 -0.114 nan 3.960 nan 0.000 0.218 294 G C 0.399 175.293 174.900 -0.009 0.000 1.130 294 G CA 1.483 46.567 45.100 -0.028 0.000 0.784 294 G HN -0.154 8.106 8.290 -0.049 0.000 0.543 295 M N -1.944 117.660 119.600 0.007 0.000 2.476 295 M HA 0.166 nan 4.480 nan 0.000 0.262 295 M C 0.861 177.198 176.300 0.061 0.000 1.111 295 M CA 2.006 57.323 55.300 0.028 0.000 1.127 295 M CB 0.635 33.258 32.600 0.039 0.000 1.376 295 M HN -0.682 7.476 8.290 0.002 0.133 0.465 296 L N 0.715 121.980 121.223 0.070 0.000 2.083 296 L HA -0.345 nan 4.340 nan 0.000 0.209 296 L C 1.753 178.670 176.870 0.079 0.000 1.083 296 L CA 2.934 57.832 54.840 0.098 0.000 0.752 296 L CB -1.301 40.813 42.059 0.093 0.000 0.899 296 L HN -0.564 7.646 8.230 0.053 0.051 0.433 297 D N -2.804 117.626 120.400 0.050 0.000 2.183 297 D HA -0.195 nan 4.640 nan 0.000 0.203 297 D C 2.365 178.687 176.300 0.037 0.000 0.969 297 D CA 3.557 57.579 54.000 0.038 0.000 0.842 297 D CB -0.471 40.341 40.800 0.021 0.000 0.957 297 D HN 0.370 8.764 8.370 0.040 0.000 0.484 298 T N 3.692 118.266 114.554 0.034 0.000 2.737 298 T HA -0.189 nan 4.350 nan 0.000 0.265 298 T C 2.017 176.746 174.700 0.048 0.000 1.038 298 T CA 4.024 66.139 62.100 0.026 0.000 1.144 298 T CB -0.383 68.493 68.868 0.012 0.000 0.866 298 T HN -0.624 7.636 8.240 0.033 0.000 0.434 299 L N 1.057 122.332 121.223 0.086 0.000 2.013 299 L HA -0.440 nan 4.340 nan 0.000 0.212 299 L C 1.372 178.331 176.870 0.149 0.000 1.073 299 L CA 3.654 58.579 54.840 0.143 0.000 0.753 299 L CB -0.047 42.145 42.059 0.220 0.000 0.890 299 L HN -0.022 8.259 8.230 0.085 0.000 0.432 300 K N -4.007 116.466 120.400 0.123 0.000 2.365 300 K HA -0.264 nan 4.320 nan 0.000 0.199 300 K C 2.404 179.050 176.600 0.076 0.000 1.045 300 K CA 2.705 59.059 56.287 0.111 0.000 0.962 300 K CB -0.599 31.952 32.500 0.085 0.000 0.759 300 K HN -0.315 8.002 8.250 0.112 0.000 0.469 301 K N 0.841 121.270 120.400 0.049 0.000 2.062 301 K HA -0.291 nan 4.320 nan 0.000 0.205 301 K C 2.185 178.785 176.600 -0.000 0.000 1.051 301 K CA 3.391 59.687 56.287 0.016 0.000 0.941 301 K CB -0.201 32.298 32.500 -0.003 0.000 0.719 301 K HN -0.604 7.670 8.250 0.050 0.006 0.440 302 D N 0.253 120.661 120.400 0.013 0.000 2.133 302 D HA -0.275 nan 4.640 nan 0.000 0.192 302 D C 2.893 179.217 176.300 0.040 0.000 1.001 302 D CA 3.353 57.355 54.000 0.003 0.000 0.844 302 D CB -0.417 40.401 40.800 0.029 0.000 0.944 302 D HN -0.288 8.097 8.370 0.025 0.000 0.447 303 I N -0.413 120.227 120.570 0.117 0.000 2.252 303 I HA -0.472 nan 4.170 nan 0.000 0.245 303 I C 1.313 177.502 176.117 0.119 0.000 1.102 303 I CA 3.776 65.179 61.300 0.172 0.000 1.385 303 I CB -0.173 38.000 38.000 0.288 0.000 1.064 303 I HN -0.231 8.060 8.210 0.136 0.000 0.414 304 A N -0.122 122.747 122.820 0.082 0.000 1.933 304 A HA -0.256 nan 4.320 nan 0.000 0.218 304 A C 1.849 179.450 177.584 0.029 0.000 1.175 304 A CA 3.057 55.129 52.037 0.058 0.000 0.628 304 A CB -0.803 18.219 19.000 0.036 0.000 0.814 304 A HN -0.166 8.031 8.150 0.079 0.000 0.444 305 L N -2.308 118.895 121.223 -0.034 0.000 2.079 305 L HA -0.327 nan 4.340 nan 0.000 0.210 305 L C 1.858 178.733 176.870 0.008 0.000 1.081 305 L CA 3.097 57.859 54.840 -0.130 0.000 0.752 305 L CB -0.499 41.345 42.059 -0.358 0.000 0.896 305 L HN 0.096 8.302 8.230 -0.040 0.000 0.433 306 G N -3.383 105.463 108.800 0.077 0.000 2.394 306 G HA2 -0.334 nan 3.960 nan 0.000 0.214 306 G HA3 -0.334 nan 3.960 nan 0.000 0.214 306 G C 1.173 176.203 174.900 0.217 0.000 1.176 306 G CA 1.660 46.874 45.100 0.190 0.000 0.786 306 G HN -0.695 7.617 8.290 0.036 0.000 0.533 307 Q N 0.792 120.683 119.800 0.151 0.000 2.096 307 Q HA -0.459 nan 4.340 nan 0.000 0.204 307 Q C 2.340 178.418 176.000 0.131 0.000 0.982 307 Q CA 3.298 59.179 55.803 0.131 0.000 0.850 307 Q CB -0.283 28.521 28.738 0.110 0.000 0.901 307 Q HN -0.504 7.843 8.270 0.128 0.000 0.422 308 E N -0.123 120.156 120.200 0.132 0.000 2.049 308 E HA -0.374 nan 4.350 nan 0.000 0.198 308 E C 1.691 178.387 176.600 0.161 0.000 1.007 308 E CA 3.006 59.477 56.400 0.119 0.000 0.809 308 E CB -0.361 29.402 29.700 0.105 0.000 0.749 308 E HN -0.314 8.117 8.360 0.119 0.000 0.450 309 F N -0.487 119.543 119.950 0.133 0.000 2.120 309 F HA -0.417 nan 4.527 nan 0.000 0.300 309 F C 2.364 178.211 175.800 0.078 0.000 1.095 309 F CA 3.483 61.581 58.000 0.163 0.000 1.249 309 F CB 0.172 39.341 39.000 0.281 0.000 0.995 309 F HN -0.602 7.949 8.300 0.418 0.000 0.480 310 V N -2.954 117.025 119.914 0.107 0.000 2.649 310 V HA -0.369 nan 4.120 nan 0.000 0.248 310 V C 0.768 176.833 176.094 -0.049 0.000 1.054 310 V CA 2.646 64.945 62.300 -0.002 0.000 1.073 310 V CB -0.832 31.044 31.823 0.089 0.000 0.699 310 V HN -0.639 7.692 8.190 0.256 0.013 0.463 311 N N -3.198 115.496 118.700 -0.009 0.000 2.282 311 N HA 0.024 nan 4.740 nan 0.000 0.185 311 N C -0.211 175.285 175.510 -0.023 0.000 1.099 311 N CA 0.946 53.989 53.050 -0.011 0.000 0.878 311 N CB 1.353 39.848 38.487 0.014 0.000 0.993 311 N HN -0.276 7.977 8.380 0.028 0.145 0.481 312 K N 0.000 120.380 120.400 -0.034 0.000 2.780 312 K HA 0.000 nan 4.320 nan 0.000 0.191 312 K CA 0.000 56.267 56.287 -0.034 0.000 0.838 312 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 312 K HN 0.000 8.222 8.250 -0.047 0.000 0.543