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 3d2o_1_A DATA FIRST_RESID 14 DATA SEQUENCE RNLPINQVGI KDLRFPITLK TAEGTQSTVA RLTMTVYLPA EQKGTHMSRF DATA SEQUENCE VALMEQHTEV LDFAQLHRLT AEMVALLDSR AGKISVSFPF FRKKTAPVSG DATA SEQUENCE IRSLLDYDVS LTGEMKDGAY GHSMKVMIPV TSLCPCSKEI SQYGAHNQRS DATA SEQUENCE HVTVSLTSDA EVGIEEVIDY VETQASCQLY GLLKRPDEKY VTEKAYENPK DATA SEQUENCE FVEDMVRDVA TSLIADKRIK SFVVESENFE SIHNHSAYAY IAYP 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 14 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 14 R C 0.000 176.295 176.300 -0.009 0.000 0.893 14 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 14 R CB 0.000 30.299 30.300 -0.003 0.000 0.687 15 N N 0.605 119.298 118.700 -0.011 0.000 2.499 15 N HA 0.254 4.995 4.740 0.002 0.000 0.182 15 N C -0.645 174.848 175.510 -0.028 0.000 1.034 15 N CA 0.336 53.375 53.050 -0.019 0.000 0.882 15 N CB 0.186 38.661 38.487 -0.020 0.000 1.125 15 N HN 0.316 8.696 8.380 -0.000 0.000 0.436 16 L N 0.812 122.020 121.223 -0.025 0.000 2.178 16 L HA -0.096 4.245 4.340 0.002 0.000 0.544 16 L C -2.533 174.298 176.870 -0.065 0.000 1.001 16 L CA -0.457 54.364 54.840 -0.031 0.000 1.227 16 L CB -1.070 40.973 42.059 -0.027 0.000 1.826 16 L HN 0.182 8.412 8.230 -0.000 0.000 0.953 17 P HA 0.445 4.865 4.420 -0.000 0.000 0.277 17 P C -0.322 176.870 177.300 -0.180 0.000 1.240 17 P CA -0.275 62.711 63.100 -0.190 0.000 0.798 17 P CB 0.878 32.499 31.700 -0.132 0.000 0.979 18 I N 2.601 123.001 120.570 -0.283 0.000 2.354 18 I HA 0.185 4.356 4.170 0.002 0.000 0.292 18 I C 1.813 177.847 176.117 -0.138 0.000 0.989 18 I CA -0.586 60.616 61.300 -0.162 0.000 1.188 18 I CB 0.833 38.758 38.000 -0.125 0.000 1.342 18 I HN 0.305 8.515 8.210 -0.000 0.000 0.457 19 N N 4.044 122.748 118.700 0.007 0.000 2.036 19 N HA -0.139 4.602 4.740 0.002 0.000 0.195 19 N C 0.043 175.627 175.510 0.124 0.000 1.037 19 N CA 1.273 54.399 53.050 0.126 0.000 0.855 19 N CB 0.162 38.697 38.487 0.081 0.000 1.033 19 N HN 0.587 8.967 8.380 -0.000 0.000 0.423 20 Q N 0.128 119.955 119.800 0.044 0.000 2.284 20 Q HA 0.412 4.753 4.340 0.002 0.000 0.269 20 Q C -1.490 174.509 176.000 -0.002 0.000 1.026 20 Q CA -0.292 55.534 55.803 0.039 0.000 0.831 20 Q CB 2.795 31.546 28.738 0.023 0.000 1.322 20 Q HN -0.039 8.231 8.270 -0.000 0.000 0.419 21 V N 0.665 120.583 119.914 0.007 0.000 2.841 21 V HA 0.964 5.086 4.120 0.002 0.000 0.310 21 V C -0.448 175.623 176.094 -0.039 0.000 1.090 21 V CA 0.578 62.868 62.300 -0.017 0.000 0.930 21 V CB 1.795 33.615 31.823 -0.004 0.000 1.014 21 V HN 0.948 9.138 8.190 -0.000 0.000 0.425 22 G N 5.301 113.997 108.800 -0.174 0.000 2.600 22 G HA2 0.262 4.223 3.960 0.002 0.000 0.103 22 G HA3 0.262 4.223 3.960 0.002 0.000 0.103 22 G C -1.014 173.610 174.900 -0.460 0.000 1.090 22 G CA -0.036 44.746 45.100 -0.531 0.000 1.090 22 G HN 1.608 9.898 8.290 -0.000 0.000 0.500 23 I N -1.134 119.040 120.570 -0.659 0.000 2.693 23 I HA 0.925 5.096 4.170 0.002 0.000 0.303 23 I C -0.722 175.262 176.117 -0.222 0.000 1.025 23 I CA -1.052 60.058 61.300 -0.317 0.000 1.086 23 I CB 2.410 40.279 38.000 -0.217 0.000 1.268 23 I HN 0.644 8.854 8.210 -0.000 0.000 0.440 24 K N 3.282 123.613 120.400 -0.116 0.000 2.464 24 K HA 0.299 4.620 4.320 0.002 0.000 0.253 24 K C -1.114 175.468 176.600 -0.030 0.000 0.933 24 K CA -0.355 55.887 56.287 -0.074 0.000 0.801 24 K CB 1.405 33.867 32.500 -0.063 0.000 1.271 24 K HN 0.813 9.063 8.250 -0.000 0.000 0.430 25 D N 1.668 122.062 120.400 -0.009 0.000 2.723 25 D HA -0.200 4.441 4.640 0.002 0.000 0.236 25 D C -0.603 175.721 176.300 0.040 0.000 1.138 25 D CA 0.784 54.796 54.000 0.021 0.000 0.676 25 D CB -0.869 39.941 40.800 0.018 0.000 1.069 25 D HN 0.412 8.782 8.370 -0.000 0.000 0.430 26 L N 0.380 121.630 121.223 0.045 0.000 2.361 26 L HA 0.233 4.574 4.340 0.002 0.000 0.278 26 L C 0.613 177.569 176.870 0.142 0.000 1.113 26 L CA 0.056 54.949 54.840 0.088 0.000 0.849 26 L CB 0.658 42.760 42.059 0.070 0.000 1.155 26 L HN 0.111 8.341 8.230 -0.000 0.000 0.452 27 R N 4.729 125.327 120.500 0.162 0.000 2.404 27 R HA 0.497 4.838 4.340 0.002 0.000 0.291 27 R C -1.809 174.653 176.300 0.270 0.000 1.025 27 R CA -0.450 55.755 56.100 0.176 0.000 0.991 27 R CB 0.735 31.103 30.300 0.112 0.000 1.053 27 R HN 0.658 8.928 8.270 -0.000 0.000 0.479 28 F N 5.162 125.148 119.950 0.059 0.000 2.635 28 F HA 0.376 4.904 4.527 0.001 0.000 0.314 28 F C -2.411 173.418 175.800 0.049 0.000 1.119 28 F CA -1.961 56.070 58.000 0.053 0.000 1.000 28 F CB 2.244 41.277 39.000 0.056 0.000 1.278 28 F HN 0.491 8.791 8.300 -0.000 0.000 0.446 29 P HA 0.491 4.911 4.420 -0.000 0.000 0.279 29 P C -1.055 176.265 177.300 0.034 0.000 1.239 29 P CA -0.117 62.927 63.100 -0.094 0.000 0.789 29 P CB 1.331 32.925 31.700 -0.176 0.000 0.933 30 I N -1.720 118.876 120.570 0.042 0.000 2.828 30 I HA 0.631 4.802 4.170 0.002 0.000 0.302 30 I C -0.984 175.121 176.117 -0.020 0.000 1.101 30 I CA -0.788 60.533 61.300 0.035 0.000 1.031 30 I CB 2.572 40.566 38.000 -0.009 0.000 1.231 30 I HN 0.026 8.236 8.210 -0.000 0.000 0.427 31 T N 5.679 120.227 114.554 -0.009 0.000 2.771 31 T HA 0.604 4.955 4.350 0.002 0.000 0.281 31 T C -0.675 174.007 174.700 -0.030 0.000 0.982 31 T CA -0.332 61.758 62.100 -0.017 0.000 0.978 31 T CB 1.440 70.310 68.868 0.004 0.000 0.930 31 T HN 0.508 8.748 8.240 -0.000 0.000 0.447 32 L N 3.209 124.410 121.223 -0.037 0.000 2.341 32 L HA 0.639 4.980 4.340 0.002 0.000 0.278 32 L C -0.377 176.523 176.870 0.051 0.000 1.005 32 L CA -0.542 54.285 54.840 -0.021 0.000 0.818 32 L CB 1.382 43.405 42.059 -0.060 0.000 1.259 32 L HN 0.495 8.725 8.230 -0.000 0.000 0.418 33 K N 3.267 123.709 120.400 0.070 0.000 2.307 33 K HA 0.666 4.987 4.320 0.002 0.000 0.263 33 K C -0.744 175.924 176.600 0.113 0.000 0.973 33 K CA -0.301 56.035 56.287 0.082 0.000 0.846 33 K CB 1.021 33.558 32.500 0.062 0.000 1.100 33 K HN 0.856 9.106 8.250 -0.000 0.000 0.438 34 T N -0.157 114.477 114.554 0.134 0.000 2.773 34 T HA 0.452 4.803 4.350 0.002 0.000 0.278 34 T C 1.226 175.980 174.700 0.090 0.000 1.011 34 T CA -0.338 61.842 62.100 0.133 0.000 1.014 34 T CB 1.244 70.243 68.868 0.219 0.000 1.293 34 T HN 0.404 8.644 8.240 -0.000 0.000 0.554 35 A N 0.016 122.875 122.820 0.064 0.000 1.986 35 A HA -0.072 4.249 4.320 0.002 0.000 0.220 35 A C 1.878 179.489 177.584 0.045 0.000 1.171 35 A CA 1.710 53.768 52.037 0.036 0.000 0.640 35 A CB -0.996 18.009 19.000 0.009 0.000 0.811 35 A HN 0.897 9.047 8.150 -0.000 0.000 0.451 36 E N -1.515 118.729 120.200 0.073 0.000 2.474 36 E HA 0.384 4.735 4.350 0.002 0.000 0.195 36 E C 0.748 177.378 176.600 0.051 0.000 1.039 36 E CA 0.210 56.647 56.400 0.061 0.000 0.881 36 E CB 0.255 29.998 29.700 0.073 0.000 0.970 36 E HN 0.646 9.006 8.360 -0.000 0.000 0.486 37 G N 0.092 108.926 108.800 0.058 0.000 2.369 37 G HA2 -0.057 3.904 3.960 0.002 0.000 0.295 37 G HA3 -0.057 3.904 3.960 0.002 0.000 0.295 37 G C -0.851 174.078 174.900 0.049 0.000 1.298 37 G CA -0.977 44.147 45.100 0.041 0.000 0.940 37 G HN -0.054 8.236 8.290 -0.000 0.000 0.536 38 T N 1.073 115.644 114.554 0.029 0.000 2.859 38 T HA 0.686 5.037 4.350 0.002 0.000 0.281 38 T C 0.002 174.706 174.700 0.007 0.000 1.005 38 T CA -0.141 61.975 62.100 0.027 0.000 1.025 38 T CB 1.454 70.334 68.868 0.019 0.000 0.977 38 T HN 0.888 9.128 8.240 -0.000 0.000 0.458 39 Q N 0.355 120.159 119.800 0.006 0.000 2.418 39 Q HA 0.665 5.006 4.340 0.002 0.000 0.282 39 Q C -1.565 174.430 176.000 -0.009 0.000 1.044 39 Q CA -1.003 54.793 55.803 -0.012 0.000 0.813 39 Q CB 1.591 30.311 28.738 -0.029 0.000 1.428 39 Q HN 0.412 8.682 8.270 -0.000 0.000 0.402 40 S N 1.262 116.955 115.700 -0.012 0.000 2.457 40 S HA 0.600 5.071 4.470 0.002 0.000 0.289 40 S C -0.699 173.916 174.600 0.025 0.000 1.163 40 S CA -0.242 57.953 58.200 -0.008 0.000 1.078 40 S CB 1.505 64.694 63.200 -0.018 0.000 0.987 40 S HN 0.625 8.935 8.310 -0.000 0.000 0.482 41 T N 1.876 116.445 114.554 0.024 0.000 2.669 41 T HA 0.681 5.032 4.350 0.002 0.000 0.283 41 T C -1.492 173.256 174.700 0.080 0.000 1.019 41 T CA -0.466 61.692 62.100 0.096 0.000 1.039 41 T CB 1.022 69.991 68.868 0.167 0.000 1.374 41 T HN 0.280 8.520 8.240 -0.000 0.000 0.523 42 V N 1.691 121.690 119.914 0.142 0.000 2.531 42 V HA 0.815 4.936 4.120 0.002 0.000 0.301 42 V C 0.184 176.402 176.094 0.206 0.000 1.034 42 V CA -0.728 61.650 62.300 0.130 0.000 0.865 42 V CB 0.936 32.823 31.823 0.106 0.000 0.995 42 V HN 1.103 9.293 8.190 -0.000 0.000 0.424 43 A N 5.826 128.775 122.820 0.214 0.000 2.299 43 A HA 0.910 5.231 4.320 0.002 0.000 0.332 43 A C -0.296 177.420 177.584 0.220 0.000 1.131 43 A CA -0.836 51.372 52.037 0.284 0.000 0.844 43 A CB 1.242 20.419 19.000 0.294 0.000 1.251 43 A HN 0.693 8.843 8.150 -0.000 0.000 0.486 44 R N 0.277 120.893 120.500 0.192 0.000 2.445 44 R HA 0.555 4.896 4.340 0.002 0.000 0.308 44 R C -1.721 174.652 176.300 0.122 0.000 0.961 44 R CA -0.518 55.664 56.100 0.138 0.000 0.862 44 R CB 1.286 31.643 30.300 0.094 0.000 1.144 44 R HN 0.550 8.820 8.270 -0.000 0.000 0.447 45 L N 1.429 122.707 121.223 0.091 0.000 2.322 45 L HA 0.416 4.757 4.340 0.002 0.000 0.281 45 L C 0.175 177.044 176.870 -0.001 0.000 1.014 45 L CA -0.196 54.672 54.840 0.047 0.000 0.815 45 L CB 2.095 44.165 42.059 0.017 0.000 1.247 45 L HN 0.471 8.701 8.230 -0.000 0.000 0.421 46 T N 4.299 118.842 114.554 -0.019 0.000 2.770 46 T HA 0.695 5.046 4.350 0.002 0.000 0.283 46 T C -0.338 174.304 174.700 -0.096 0.000 0.988 46 T CA -0.360 61.698 62.100 -0.070 0.000 0.957 46 T CB 0.821 69.657 68.868 -0.053 0.000 0.930 46 T HN 0.380 8.620 8.240 -0.000 0.000 0.443 47 M N 3.564 123.041 119.600 -0.206 0.000 2.151 47 M HA 0.449 4.930 4.480 0.002 0.000 0.290 47 M C -0.321 175.671 176.300 -0.512 0.000 0.965 47 M CA -0.720 54.449 55.300 -0.218 0.000 0.930 47 M CB 2.093 34.629 32.600 -0.108 0.000 1.560 47 M HN 0.692 8.982 8.290 -0.000 0.000 0.438 48 T N 0.318 114.767 114.554 -0.175 0.000 2.900 48 T HA 0.886 5.237 4.350 0.002 0.000 0.303 48 T C -0.480 174.320 174.700 0.167 0.000 1.142 48 T CA -0.855 61.179 62.100 -0.110 0.000 1.007 48 T CB 1.867 70.687 68.868 -0.081 0.000 1.156 48 T HN 0.579 8.819 8.240 -0.000 0.000 0.490 49 V N -0.527 119.538 119.914 0.251 0.000 3.126 49 V HA 0.768 4.889 4.120 0.002 0.000 0.314 49 V C -0.794 175.420 176.094 0.200 0.000 1.138 49 V CA -1.585 60.857 62.300 0.237 0.000 1.034 49 V CB 1.472 33.450 31.823 0.258 0.000 1.075 49 V HN 1.035 9.225 8.190 -0.000 0.000 0.442 50 Y N 1.743 122.084 120.300 0.069 0.000 2.319 50 Y HA 0.663 5.215 4.550 0.002 0.000 0.328 50 Y C -0.544 175.384 175.900 0.047 0.000 1.133 50 Y CA -0.540 57.586 58.100 0.043 0.000 1.265 50 Y CB 1.465 39.944 38.460 0.031 0.000 1.218 50 Y HN 0.770 9.050 8.280 -0.000 0.000 0.508 51 L N 9.913 130.834 121.223 -0.504 0.000 2.298 51 L HA 0.578 4.919 4.340 0.002 0.000 0.284 51 L C -2.502 173.946 176.870 -0.704 0.000 1.013 51 L CA -2.586 52.005 54.840 -0.415 0.000 0.824 51 L CB 1.128 43.053 42.059 -0.223 0.000 1.221 51 L HN 0.524 8.754 8.230 -0.000 0.000 0.418 52 P HA 0.112 4.532 4.420 -0.000 0.000 0.272 52 P C 0.266 177.474 177.300 -0.153 0.000 1.230 52 P CA -0.160 62.794 63.100 -0.243 0.000 0.788 52 P CB 0.855 32.579 31.700 0.039 0.000 0.949 53 A N 2.760 125.530 122.820 -0.083 0.000 1.940 53 A HA -0.263 4.058 4.320 0.002 0.000 0.221 53 A C 1.899 179.459 177.584 -0.041 0.000 1.190 53 A CA 2.441 54.445 52.037 -0.054 0.000 0.647 53 A CB -1.488 17.503 19.000 -0.016 0.000 0.821 53 A HN 0.754 8.904 8.150 -0.000 0.000 0.457 54 E N -0.562 119.625 120.200 -0.022 0.000 2.427 54 E HA -0.051 4.300 4.350 0.002 0.000 0.196 54 E C 1.076 177.666 176.600 -0.017 0.000 1.028 54 E CA 0.408 56.801 56.400 -0.012 0.000 0.864 54 E CB -0.157 29.545 29.700 0.003 0.000 0.813 54 E HN 0.735 9.095 8.360 -0.000 0.000 0.514 55 Q N 1.279 121.060 119.800 -0.031 0.000 2.257 55 Q HA 0.123 4.464 4.340 0.002 0.000 0.255 55 Q C 0.539 176.508 176.000 -0.051 0.000 0.920 55 Q CA -0.510 55.274 55.803 -0.032 0.000 0.927 55 Q CB 1.586 30.308 28.738 -0.027 0.000 1.229 55 Q HN 0.056 8.326 8.270 -0.000 0.000 0.433 56 K N 2.303 122.676 120.400 -0.046 0.000 2.031 56 K HA 0.047 4.368 4.320 0.002 0.000 0.205 56 K C 0.183 176.741 176.600 -0.070 0.000 1.049 56 K CA 1.320 57.577 56.287 -0.050 0.000 0.939 56 K CB 0.153 32.630 32.500 -0.038 0.000 0.717 56 K HN 0.727 8.977 8.250 -0.000 0.000 0.438 57 G N -1.055 107.685 108.800 -0.100 0.000 2.684 57 G HA2 0.273 4.234 3.960 0.002 0.000 0.290 57 G HA3 0.273 4.234 3.960 0.002 0.000 0.290 57 G C -1.230 173.526 174.900 -0.239 0.000 1.425 57 G CA -0.607 44.413 45.100 -0.133 0.000 0.822 57 G HN 0.053 8.343 8.290 -0.000 0.000 0.482 58 T N -1.686 112.739 114.554 -0.216 0.000 2.891 58 T HA 0.506 4.857 4.350 0.002 0.000 0.294 58 T C -0.619 173.770 174.700 -0.519 0.000 1.065 58 T CA -0.255 61.671 62.100 -0.289 0.000 0.936 58 T CB 0.448 69.337 68.868 0.036 0.000 1.415 58 T HN 0.447 8.687 8.240 -0.000 0.000 0.572 59 H N 1.668 120.738 119.070 -0.001 0.000 2.645 59 H HA 0.357 4.914 4.556 0.002 0.000 0.257 59 H C 0.907 176.214 175.328 -0.035 0.000 1.269 59 H CA -0.550 55.473 56.048 -0.041 0.000 1.409 59 H CB 0.471 30.172 29.762 -0.101 0.000 1.434 59 H HN 0.333 8.613 8.280 -0.000 0.000 0.505 60 M N 0.637 120.332 119.600 0.158 0.000 2.229 60 M HA -0.124 4.357 4.480 0.002 0.000 0.264 60 M C 2.125 178.582 176.300 0.262 0.000 1.063 60 M CA 1.183 56.666 55.300 0.304 0.000 1.114 60 M CB -0.467 32.251 32.600 0.198 0.000 1.387 60 M HN 0.597 8.887 8.290 -0.000 0.000 0.420 61 S N 0.065 115.845 115.700 0.133 0.000 2.481 61 S HA -0.053 4.418 4.470 0.002 0.000 0.231 61 S C 1.858 176.492 174.600 0.057 0.000 0.996 61 S CA 0.498 58.757 58.200 0.099 0.000 0.942 61 S CB -0.351 62.891 63.200 0.069 0.000 0.768 61 S HN 0.477 8.787 8.310 -0.000 0.000 0.520 62 R N -0.407 120.075 120.500 -0.030 0.000 2.153 62 R HA 0.151 4.492 4.340 0.002 0.000 0.218 62 R C 1.560 177.766 176.300 -0.157 0.000 1.072 62 R CA 1.165 57.187 56.100 -0.131 0.000 0.990 62 R CB -0.414 29.746 30.300 -0.233 0.000 0.889 62 R HN 0.463 8.733 8.270 -0.000 0.000 0.452 63 F N 0.164 120.120 119.950 0.010 0.000 2.134 63 F HA -0.178 4.350 4.527 0.002 0.000 0.299 63 F C 2.352 178.121 175.800 -0.052 0.000 1.097 63 F CA 1.013 59.000 58.000 -0.021 0.000 1.264 63 F CB -0.645 38.346 39.000 -0.016 0.000 1.001 63 F HN -0.245 8.055 8.300 -0.000 0.000 0.479 64 V N -0.114 119.899 119.914 0.164 0.000 2.453 64 V HA -0.227 3.894 4.120 0.002 0.000 0.247 64 V C 2.591 178.708 176.094 0.038 0.000 1.048 64 V CA 1.440 63.781 62.300 0.068 0.000 1.049 64 V CB -1.463 30.420 31.823 0.099 0.000 0.672 64 V HN 0.345 8.535 8.190 -0.000 0.000 0.457 65 A N 0.299 123.146 122.820 0.045 0.000 1.892 65 A HA -0.259 4.062 4.320 0.002 0.000 0.218 65 A C 2.206 179.820 177.584 0.051 0.000 1.188 65 A CA 2.357 54.420 52.037 0.043 0.000 0.631 65 A CB -0.666 18.346 19.000 0.019 0.000 0.822 65 A HN 0.457 8.607 8.150 -0.000 0.000 0.447 66 L N -0.958 120.278 121.223 0.021 0.000 1.989 66 L HA -0.202 4.139 4.340 0.002 0.000 0.211 66 L C 2.452 179.341 176.870 0.031 0.000 1.071 66 L CA 2.244 57.097 54.840 0.023 0.000 0.749 66 L CB -0.440 41.576 42.059 -0.073 0.000 0.890 66 L HN 0.327 8.557 8.230 -0.000 0.000 0.431 67 M N -0.783 118.751 119.600 -0.109 0.000 2.117 67 M HA -0.149 4.332 4.480 0.002 0.000 0.262 67 M C 2.169 178.446 176.300 -0.040 0.000 1.065 67 M CA 1.419 56.542 55.300 -0.296 0.000 1.114 67 M CB -1.378 30.682 32.600 -0.901 0.000 1.361 67 M HN 0.289 8.579 8.290 -0.000 0.000 0.408 68 E N 0.219 120.471 120.200 0.086 0.000 2.077 68 E HA -0.199 4.152 4.350 0.002 0.000 0.193 68 E C 2.044 178.749 176.600 0.176 0.000 0.989 68 E CA 1.157 57.700 56.400 0.238 0.000 0.800 68 E CB -0.374 29.437 29.700 0.185 0.000 0.746 68 E HN 0.630 8.990 8.360 -0.000 0.000 0.452 69 Q N -0.352 119.539 119.800 0.151 0.000 2.167 69 Q HA -0.051 4.290 4.340 0.002 0.000 0.202 69 Q C 0.497 176.495 176.000 -0.005 0.000 0.970 69 Q CA 0.713 56.563 55.803 0.079 0.000 0.855 69 Q CB 0.118 28.909 28.738 0.088 0.000 0.911 69 Q HN 0.387 8.657 8.270 -0.000 0.000 0.438 70 H N -0.679 118.413 119.070 0.038 0.000 2.527 70 H HA 0.105 4.662 4.556 0.002 0.000 0.321 70 H C 0.439 175.807 175.328 0.066 0.000 1.087 70 H CA 0.551 56.620 56.048 0.036 0.000 1.337 70 H CB 1.513 31.283 29.762 0.014 0.000 1.440 70 H HN 0.192 8.472 8.280 -0.000 0.000 0.490 71 T N -0.643 113.971 114.554 0.100 0.000 3.004 71 T HA 0.067 4.418 4.350 0.002 0.000 0.266 71 T C 0.492 175.235 174.700 0.072 0.000 0.986 71 T CA -0.435 61.711 62.100 0.078 0.000 0.902 71 T CB 0.749 69.634 68.868 0.027 0.000 1.118 71 T HN 0.540 8.780 8.240 -0.000 0.000 0.522 72 E N 1.792 122.042 120.200 0.082 0.000 2.374 72 E HA 0.444 4.795 4.350 0.002 0.000 0.260 72 E C -0.455 176.184 176.600 0.066 0.000 1.101 72 E CA -0.725 55.713 56.400 0.065 0.000 0.907 72 E CB 1.312 31.053 29.700 0.069 0.000 1.014 72 E HN -0.016 8.344 8.360 -0.000 0.000 0.427 73 V N 2.159 122.103 119.914 0.049 0.000 2.637 73 V HA -0.042 4.079 4.120 0.002 0.000 0.296 73 V C 0.285 176.407 176.094 0.046 0.000 1.046 73 V CA -0.215 62.110 62.300 0.042 0.000 1.066 73 V CB 0.578 32.422 31.823 0.035 0.000 0.968 73 V HN 0.448 8.638 8.190 -0.000 0.000 0.483 74 L N 6.094 127.338 121.223 0.036 0.000 2.367 74 L HA 0.499 4.840 4.340 0.002 0.000 0.275 74 L C -0.143 176.762 176.870 0.058 0.000 1.129 74 L CA 0.560 55.423 54.840 0.038 0.000 0.839 74 L CB 0.566 42.630 42.059 0.008 0.000 1.133 74 L HN 0.984 9.214 8.230 -0.000 0.000 0.453 75 D N 2.107 122.556 120.400 0.081 0.000 2.768 75 D HA 0.066 4.707 4.640 0.002 0.000 0.327 75 D C 0.431 176.826 176.300 0.158 0.000 1.302 75 D CA -0.491 53.583 54.000 0.125 0.000 0.897 75 D CB -0.212 40.659 40.800 0.119 0.000 1.420 75 D HN 0.311 8.681 8.370 -0.000 0.000 0.494 76 F N 0.999 120.968 119.950 0.031 0.000 2.126 76 F HA -0.036 4.494 4.527 0.004 0.000 0.299 76 F C 2.112 177.933 175.800 0.036 0.000 1.096 76 F CA 2.671 60.682 58.000 0.018 0.000 1.255 76 F CB -0.256 38.724 39.000 -0.033 0.000 0.997 76 F HN 0.451 8.751 8.300 -0.000 0.000 0.479 77 A N -0.159 122.799 122.820 0.229 0.000 1.898 77 A HA -0.219 4.103 4.320 0.002 0.000 0.216 77 A C 2.077 179.633 177.584 -0.046 0.000 1.181 77 A CA 1.622 53.701 52.037 0.070 0.000 0.620 77 A CB -0.938 18.141 19.000 0.131 0.000 0.819 77 A HN 0.569 8.719 8.150 -0.000 0.000 0.442 78 Q N -0.701 119.100 119.800 0.002 0.000 2.172 78 Q HA -0.058 4.283 4.340 0.002 0.000 0.200 78 Q C 1.748 177.732 176.000 -0.027 0.000 0.964 78 Q CA 1.413 57.212 55.803 -0.006 0.000 0.855 78 Q CB -0.439 28.317 28.738 0.031 0.000 0.918 78 Q HN 0.460 8.730 8.270 -0.000 0.000 0.444 79 L N -0.074 121.134 121.223 -0.025 0.000 2.046 79 L HA -0.136 4.205 4.340 0.002 0.000 0.208 79 L C 2.190 179.037 176.870 -0.038 0.000 1.077 79 L CA 2.406 57.244 54.840 -0.004 0.000 0.747 79 L CB -0.897 41.184 42.059 0.036 0.000 0.896 79 L HN 0.545 8.775 8.230 -0.000 0.000 0.432 80 H N -0.509 118.330 119.070 -0.386 0.000 2.267 80 H HA -0.244 4.313 4.556 0.001 0.000 0.297 80 H C 2.503 177.554 175.328 -0.462 0.000 1.080 80 H CA 1.770 57.308 56.048 -0.851 0.000 1.278 80 H CB 0.017 29.138 29.762 -1.069 0.000 1.365 80 H HN 0.297 8.577 8.280 -0.000 0.000 0.489 81 R N 0.566 120.964 120.500 -0.171 0.000 2.105 81 R HA -0.140 4.201 4.340 0.002 0.000 0.239 81 R C 2.355 178.603 176.300 -0.088 0.000 1.135 81 R CA 1.512 57.526 56.100 -0.143 0.000 0.967 81 R CB -0.291 29.944 30.300 -0.107 0.000 0.861 81 R HN 0.438 8.708 8.270 -0.000 0.000 0.442 82 L N 0.226 121.399 121.223 -0.084 0.000 2.027 82 L HA -0.138 4.203 4.340 0.002 0.000 0.206 82 L C 2.168 179.002 176.870 -0.061 0.000 1.074 82 L CA 1.933 56.700 54.840 -0.122 0.000 0.745 82 L CB -0.437 41.565 42.059 -0.095 0.000 0.898 82 L HN 0.352 8.582 8.230 -0.000 0.000 0.433 83 T N -0.220 114.344 114.554 0.018 0.000 2.746 83 T HA -0.160 4.191 4.350 0.002 0.000 0.267 83 T C 1.859 176.607 174.700 0.079 0.000 1.039 83 T CA 1.257 63.411 62.100 0.091 0.000 1.142 83 T CB -0.226 68.779 68.868 0.229 0.000 0.866 83 T HN 0.463 8.703 8.240 -0.000 0.000 0.444 84 A N 1.310 124.168 122.820 0.063 0.000 1.898 84 A HA -0.072 4.249 4.320 0.002 0.000 0.216 84 A C 2.210 179.802 177.584 0.012 0.000 1.181 84 A CA 1.765 53.834 52.037 0.054 0.000 0.620 84 A CB -0.624 18.401 19.000 0.042 0.000 0.819 84 A HN 0.574 8.724 8.150 -0.000 0.000 0.442 85 E N -0.704 119.482 120.200 -0.023 0.000 2.110 85 E HA -0.228 4.123 4.350 0.002 0.000 0.193 85 E C 1.997 178.572 176.600 -0.042 0.000 0.988 85 E CA 1.413 57.791 56.400 -0.036 0.000 0.804 85 E CB -0.211 29.446 29.700 -0.073 0.000 0.745 85 E HN 0.634 8.994 8.360 -0.000 0.000 0.458 86 M N 0.480 120.055 119.600 -0.041 0.000 2.065 86 M HA -0.194 4.287 4.480 0.002 0.000 0.259 86 M C 2.342 178.636 176.300 -0.010 0.000 1.069 86 M CA 2.201 57.486 55.300 -0.024 0.000 1.110 86 M CB -0.185 32.442 32.600 0.045 0.000 1.328 86 M HN 0.255 8.545 8.290 -0.000 0.000 0.405 87 V N -1.338 118.595 119.914 0.031 0.000 2.490 87 V HA -0.137 3.984 4.120 0.002 0.000 0.250 87 V C 2.276 178.379 176.094 0.015 0.000 1.061 87 V CA 1.701 64.027 62.300 0.044 0.000 1.064 87 V CB -2.133 29.730 31.823 0.067 0.000 0.670 87 V HN 0.526 8.716 8.190 -0.000 0.000 0.461 88 A N 0.709 123.529 122.820 0.001 0.000 1.872 88 A HA -0.025 4.296 4.320 0.002 0.000 0.214 88 A C 2.142 179.704 177.584 -0.037 0.000 1.187 88 A CA 1.811 53.842 52.037 -0.010 0.000 0.614 88 A CB -0.663 18.333 19.000 -0.007 0.000 0.826 88 A HN 0.572 8.722 8.150 -0.000 0.000 0.442 89 L N -0.828 120.362 121.223 -0.055 0.000 2.083 89 L HA -0.030 4.311 4.340 0.002 0.000 0.209 89 L C 1.812 178.600 176.870 -0.137 0.000 1.083 89 L CA 1.697 56.483 54.840 -0.090 0.000 0.752 89 L CB -0.353 41.648 42.059 -0.096 0.000 0.899 89 L HN 0.296 8.526 8.230 -0.000 0.000 0.433 90 L N -0.409 120.736 121.223 -0.130 0.000 2.592 90 L HA 0.101 4.442 4.340 0.002 0.000 0.227 90 L C 0.027 176.886 176.870 -0.019 0.000 1.127 90 L CA 0.187 54.954 54.840 -0.122 0.000 0.884 90 L CB -0.378 41.576 42.059 -0.176 0.000 1.065 90 L HN 0.229 8.459 8.230 -0.000 0.000 0.457 91 D N 0.104 120.485 120.400 -0.033 0.000 2.705 91 D HA -0.182 4.459 4.640 0.002 0.000 0.240 91 D C 0.153 176.485 176.300 0.054 0.000 1.137 91 D CA 1.029 55.030 54.000 0.001 0.000 0.677 91 D CB -0.958 39.830 40.800 -0.019 0.000 1.049 91 D HN 0.327 8.697 8.370 -0.000 0.000 0.427 92 S N -0.756 114.983 115.700 0.065 0.000 2.661 92 S HA 0.560 5.031 4.470 0.002 0.000 0.285 92 S C 0.932 175.591 174.600 0.098 0.000 1.138 92 S CA -0.623 57.642 58.200 0.109 0.000 0.855 92 S CB 2.265 65.551 63.200 0.143 0.000 1.136 92 S HN 0.314 8.624 8.310 -0.000 0.000 0.484 93 R N 1.185 121.758 120.500 0.122 0.000 2.280 93 R HA 0.537 4.878 4.340 0.002 0.000 0.195 93 R C 0.224 176.544 176.300 0.032 0.000 0.935 93 R CA 0.589 56.724 56.100 0.059 0.000 1.033 93 R CB -0.004 30.311 30.300 0.026 0.000 0.964 93 R HN 0.565 8.835 8.270 -0.000 0.000 0.489 94 A N -0.259 122.607 122.820 0.076 0.000 2.605 94 A HA 0.672 4.993 4.320 0.002 0.000 0.294 94 A C -0.906 176.748 177.584 0.116 0.000 1.062 94 A CA -0.273 51.794 52.037 0.052 0.000 0.682 94 A CB 1.645 20.620 19.000 -0.043 0.000 1.278 94 A HN 0.363 8.513 8.150 -0.000 0.000 0.410 95 G N 0.130 108.985 108.800 0.092 0.000 2.451 95 G HA2 0.592 4.553 3.960 0.002 0.000 0.292 95 G HA3 0.592 4.553 3.960 0.002 0.000 0.292 95 G C -1.911 173.034 174.900 0.075 0.000 1.427 95 G CA -0.764 44.403 45.100 0.112 0.000 0.792 95 G HN 0.708 8.998 8.290 -0.000 0.000 0.498 96 K N -0.318 120.124 120.400 0.070 0.000 2.464 96 K HA 0.662 4.983 4.320 0.002 0.000 0.253 96 K C -1.047 175.582 176.600 0.047 0.000 0.933 96 K CA -0.717 55.593 56.287 0.039 0.000 0.801 96 K CB 2.931 35.435 32.500 0.007 0.000 1.271 96 K HN 0.374 8.624 8.250 -0.000 0.000 0.430 97 I N 1.868 122.469 120.570 0.051 0.000 2.436 97 I HA 0.233 4.404 4.170 0.002 0.000 0.289 97 I C -0.387 175.755 176.117 0.041 0.000 1.010 97 I CA -0.702 60.625 61.300 0.045 0.000 1.098 97 I CB 1.973 40.010 38.000 0.061 0.000 1.266 97 I HN 0.611 8.821 8.210 -0.000 0.000 0.434 98 S N 6.199 121.917 115.700 0.029 0.000 2.519 98 S HA 0.655 5.127 4.470 0.002 0.000 0.309 98 S C -0.919 173.722 174.600 0.069 0.000 1.100 98 S CA -0.662 57.563 58.200 0.041 0.000 1.059 98 S CB 2.065 65.274 63.200 0.015 0.000 1.008 98 S HN 0.475 8.785 8.310 -0.000 0.000 0.478 99 V N 3.082 123.067 119.914 0.119 0.000 2.407 99 V HA 0.753 4.875 4.120 0.002 0.000 0.291 99 V C -0.791 175.443 176.094 0.234 0.000 1.018 99 V CA -0.102 62.320 62.300 0.205 0.000 0.842 99 V CB 1.492 33.457 31.823 0.238 0.000 0.996 99 V HN 0.996 9.186 8.190 -0.000 0.000 0.426 100 S N 7.648 123.462 115.700 0.190 0.000 2.454 100 S HA 0.945 5.416 4.470 0.002 0.000 0.306 100 S C -0.910 173.783 174.600 0.156 0.000 1.100 100 S CA -0.398 57.810 58.200 0.014 0.000 1.087 100 S CB 1.169 64.372 63.200 0.005 0.000 1.019 100 S HN 1.001 9.311 8.310 -0.000 0.000 0.480 101 F N 0.567 120.563 119.950 0.076 0.000 2.719 101 F HA 0.669 5.197 4.527 0.001 0.000 0.309 101 F C -3.257 172.595 175.800 0.086 0.000 1.138 101 F CA -2.451 55.605 58.000 0.093 0.000 0.943 101 F CB 0.406 39.482 39.000 0.127 0.000 1.304 101 F HN 0.246 8.546 8.300 -0.000 0.000 0.445 102 P HA 0.269 4.689 4.420 -0.000 0.000 0.275 102 P C -1.363 176.097 177.300 0.265 0.000 1.228 102 P CA 0.222 63.380 63.100 0.096 0.000 0.786 102 P CB 1.190 32.875 31.700 -0.024 0.000 0.927 103 F N 2.962 122.873 119.950 -0.065 0.000 2.518 103 F HA 0.563 5.091 4.527 0.001 0.000 0.323 103 F C -1.514 174.242 175.800 -0.074 0.000 1.129 103 F CA -1.016 57.053 58.000 0.115 0.000 0.920 103 F CB 1.011 40.142 39.000 0.219 0.000 1.160 103 F HN 0.079 8.379 8.300 -0.000 0.000 0.440 104 F N 5.072 124.815 119.950 -0.345 0.000 2.458 104 F HA 0.675 5.202 4.527 0.001 0.000 0.330 104 F C -0.058 175.533 175.800 -0.348 0.000 1.082 104 F CA -0.716 57.178 58.000 -0.176 0.000 0.995 104 F CB 1.828 40.753 39.000 -0.125 0.000 1.170 104 F HN 0.427 8.727 8.300 -0.000 0.000 0.478 105 R N 1.720 122.340 120.500 0.201 0.000 2.621 105 R HA 0.373 4.714 4.340 0.002 0.000 0.284 105 R C -1.353 175.057 176.300 0.182 0.000 0.998 105 R CA -1.101 55.091 56.100 0.153 0.000 0.895 105 R CB 1.625 32.072 30.300 0.245 0.000 1.195 105 R HN 0.570 8.840 8.270 -0.000 0.000 0.450 106 K N 3.172 123.639 120.400 0.112 0.000 2.378 106 K HA 0.121 4.442 4.320 0.002 0.000 0.288 106 K C -0.754 175.920 176.600 0.124 0.000 1.057 106 K CA 0.339 56.687 56.287 0.102 0.000 0.971 106 K CB 0.557 33.093 32.500 0.059 0.000 0.975 106 K HN 0.346 8.596 8.250 -0.000 0.000 0.475 107 K N 2.063 122.555 120.400 0.153 0.000 2.185 107 K HA 0.431 4.752 4.320 0.002 0.000 0.240 107 K C -0.660 176.047 176.600 0.178 0.000 0.983 107 K CA -0.947 55.458 56.287 0.197 0.000 0.873 107 K CB 1.879 34.535 32.500 0.259 0.000 1.118 107 K HN 0.429 8.679 8.250 -0.000 0.000 0.441 108 T N 0.703 115.372 114.554 0.191 0.000 2.848 108 T HA 0.387 4.738 4.350 0.002 0.000 0.285 108 T C -0.576 174.083 174.700 -0.068 0.000 0.995 108 T CA -0.774 61.363 62.100 0.062 0.000 0.970 108 T CB 1.636 70.519 68.868 0.025 0.000 0.976 108 T HN 0.670 8.910 8.240 -0.000 0.000 0.441 109 A N 4.645 127.327 122.820 -0.230 0.000 2.498 109 A HA 0.425 4.746 4.320 0.002 0.000 0.239 109 A C -0.859 176.435 177.584 -0.484 0.000 1.068 109 A CA -1.043 50.670 52.037 -0.540 0.000 0.766 109 A CB -0.027 18.764 19.000 -0.350 0.000 1.003 109 A HN 0.593 8.743 8.150 -0.000 0.000 0.497 110 P HA -0.090 4.330 4.420 -0.000 0.000 0.220 110 P C 1.142 178.113 177.300 -0.548 0.000 1.148 110 P CA 1.251 63.954 63.100 -0.662 0.000 0.803 110 P CB 0.106 31.113 31.700 -1.155 0.000 0.782 111 V N 0.368 120.041 119.914 -0.401 0.000 2.721 111 V HA -0.071 4.050 4.120 0.002 0.000 0.236 111 V C 2.839 178.842 176.094 -0.152 0.000 1.116 111 V CA 1.665 63.825 62.300 -0.232 0.000 1.148 111 V CB -1.278 30.465 31.823 -0.134 0.000 0.886 111 V HN 0.174 8.364 8.190 -0.000 0.000 0.490 112 S N 1.153 116.769 115.700 -0.141 0.000 2.399 112 S HA -0.022 4.449 4.470 0.002 0.000 0.231 112 S C 1.879 176.422 174.600 -0.094 0.000 1.022 112 S CA 1.424 59.565 58.200 -0.099 0.000 0.983 112 S CB -0.544 62.604 63.200 -0.086 0.000 0.803 112 S HN 1.452 9.762 8.310 -0.000 0.000 0.480 113 G N 1.134 109.861 108.800 -0.122 0.000 2.168 113 G HA2 -0.270 3.691 3.960 0.002 0.000 0.263 113 G HA3 -0.270 3.691 3.960 0.002 0.000 0.263 113 G C 0.093 174.953 174.900 -0.067 0.000 0.977 113 G CA 0.296 45.341 45.100 -0.092 0.000 0.659 113 G HN 0.645 8.935 8.290 -0.000 0.000 0.533 114 I N 0.739 121.266 120.570 -0.072 0.000 2.710 114 I HA 0.206 4.377 4.170 0.002 0.000 0.286 114 I C 1.195 177.294 176.117 -0.030 0.000 1.181 114 I CA 0.122 61.395 61.300 -0.045 0.000 1.430 114 I CB 0.389 38.363 38.000 -0.042 0.000 1.367 114 I HN 0.109 8.319 8.210 -0.000 0.000 0.577 115 R N 4.382 124.880 120.500 -0.004 0.000 2.540 115 R HA 0.653 4.994 4.340 0.002 0.000 0.287 115 R C -0.559 175.763 176.300 0.038 0.000 0.980 115 R CA -0.485 55.629 56.100 0.024 0.000 0.966 115 R CB 1.753 32.066 30.300 0.022 0.000 1.106 115 R HN 0.826 9.096 8.270 -0.000 0.000 0.480 116 S N 1.286 117.030 115.700 0.073 0.000 2.588 116 S HA 0.466 4.937 4.470 0.002 0.000 0.269 116 S C -0.761 173.903 174.600 0.106 0.000 1.157 116 S CA -1.102 57.144 58.200 0.076 0.000 0.824 116 S CB 0.897 64.147 63.200 0.083 0.000 1.126 116 S HN 0.338 8.648 8.310 -0.000 0.000 0.464 117 L N 1.136 122.419 121.223 0.100 0.000 2.395 117 L HA 0.605 4.946 4.340 0.002 0.000 0.269 117 L C -0.570 176.405 176.870 0.174 0.000 1.133 117 L CA -0.818 54.116 54.840 0.157 0.000 0.812 117 L CB 0.829 42.984 42.059 0.161 0.000 1.125 117 L HN 0.641 8.871 8.230 -0.000 0.000 0.452 118 L N 1.943 123.278 121.223 0.187 0.000 2.354 118 L HA 0.474 4.815 4.340 0.002 0.000 0.269 118 L C -0.910 175.911 176.870 -0.081 0.000 1.005 118 L CA -0.350 54.500 54.840 0.015 0.000 0.819 118 L CB 1.916 43.897 42.059 -0.130 0.000 1.311 118 L HN 0.605 8.835 8.230 -0.000 0.000 0.423 119 D N 1.823 122.005 120.400 -0.363 0.000 2.192 119 D HA 0.315 4.956 4.640 0.002 0.000 0.246 119 D C -1.303 174.593 176.300 -0.672 0.000 1.042 119 D CA -0.130 53.508 54.000 -0.603 0.000 0.847 119 D CB 1.210 41.656 40.800 -0.589 0.000 1.186 119 D HN 0.338 8.708 8.370 -0.000 0.000 0.461 120 Y N -0.290 119.895 120.300 -0.192 0.000 2.536 120 Y HA 0.312 4.864 4.550 0.003 0.000 0.347 120 Y C 0.048 175.882 175.900 -0.110 0.000 1.000 120 Y CA -1.080 56.971 58.100 -0.082 0.000 1.051 120 Y CB 2.064 40.552 38.460 0.047 0.000 1.259 120 Y HN 0.188 8.468 8.280 -0.000 0.000 0.468 121 D N 1.889 122.294 120.400 0.009 0.000 2.256 121 D HA 0.501 5.142 4.640 0.002 0.000 0.240 121 D C -1.078 175.132 176.300 -0.150 0.000 1.062 121 D CA -0.114 53.834 54.000 -0.086 0.000 0.832 121 D CB 2.400 43.140 40.800 -0.100 0.000 1.135 121 D HN 0.169 8.539 8.370 -0.000 0.000 0.484 122 V N 1.421 121.131 119.914 -0.340 0.000 2.735 122 V HA 0.449 4.570 4.120 0.002 0.000 0.310 122 V C -0.150 175.588 176.094 -0.593 0.000 1.061 122 V CA -0.618 61.391 62.300 -0.486 0.000 0.913 122 V CB 2.246 33.655 31.823 -0.689 0.000 1.005 122 V HN 0.480 8.670 8.190 -0.000 0.000 0.428 123 S N 4.539 120.039 115.700 -0.334 0.000 2.521 123 S HA 0.789 5.260 4.470 0.002 0.000 0.295 123 S C -0.873 173.670 174.600 -0.094 0.000 1.098 123 S CA -0.593 57.481 58.200 -0.209 0.000 0.999 123 S CB 1.504 64.646 63.200 -0.097 0.000 1.034 123 S HN 0.518 8.828 8.310 -0.000 0.000 0.483 124 L N 2.318 123.552 121.223 0.018 0.000 2.362 124 L HA 0.632 4.973 4.340 0.002 0.000 0.275 124 L C -0.442 176.480 176.870 0.087 0.000 0.998 124 L CA -0.508 54.387 54.840 0.091 0.000 0.820 124 L CB 2.165 44.340 42.059 0.193 0.000 1.270 124 L HN 0.531 8.761 8.230 -0.000 0.000 0.415 125 T N 1.306 115.900 114.554 0.067 0.000 2.848 125 T HA 0.610 4.961 4.350 0.002 0.000 0.285 125 T C 0.024 174.742 174.700 0.030 0.000 0.995 125 T CA -0.594 61.530 62.100 0.040 0.000 0.970 125 T CB 1.925 70.794 68.868 0.002 0.000 0.976 125 T HN 0.734 8.974 8.240 -0.000 0.000 0.441 126 G N 1.311 110.136 108.800 0.042 0.000 2.416 126 G HA2 0.677 4.638 3.960 0.002 0.000 0.329 126 G HA3 0.677 4.638 3.960 0.002 0.000 0.329 126 G C -1.352 173.507 174.900 -0.067 0.000 1.173 126 G CA -0.523 44.583 45.100 0.011 0.000 0.929 126 G HN 0.688 8.978 8.290 -0.000 0.000 0.475 127 E N 1.148 121.164 120.200 -0.307 0.000 2.278 127 E HA 0.512 4.863 4.350 0.002 0.000 0.272 127 E C -1.350 175.169 176.600 -0.135 0.000 0.890 127 E CA -0.827 55.473 56.400 -0.167 0.000 0.770 127 E CB 1.927 31.520 29.700 -0.178 0.000 1.212 127 E HN 0.330 8.690 8.360 -0.000 0.000 0.415 128 M N 3.495 123.106 119.600 0.018 0.000 2.336 128 M HA 0.431 4.913 4.480 0.002 0.000 0.342 128 M C -1.440 174.863 176.300 0.004 0.000 1.128 128 M CA -0.167 55.169 55.300 0.060 0.000 1.016 128 M CB 1.269 33.944 32.600 0.125 0.000 1.665 128 M HN 0.368 8.658 8.290 -0.000 0.000 0.445 129 K N 3.505 123.896 120.400 -0.015 0.000 2.705 129 K HA 0.268 4.589 4.320 0.002 0.000 0.238 129 K C -1.219 175.359 176.600 -0.037 0.000 0.996 129 K CA -0.376 55.881 56.287 -0.050 0.000 1.007 129 K CB 0.848 33.302 32.500 -0.077 0.000 1.206 129 K HN 0.756 9.006 8.250 -0.000 0.000 0.488 130 D N 1.642 122.022 120.400 -0.032 0.000 2.907 130 D HA -0.176 4.465 4.640 0.002 0.000 0.226 130 D C 0.808 177.113 176.300 0.008 0.000 1.141 130 D CA 1.841 55.828 54.000 -0.022 0.000 0.779 130 D CB -1.037 39.739 40.800 -0.040 0.000 1.095 130 D HN 1.039 9.409 8.370 -0.000 0.000 0.430 131 G N -1.149 107.670 108.800 0.032 0.000 2.217 131 G HA2 -0.132 3.829 3.960 0.002 0.000 0.246 131 G HA3 -0.132 3.829 3.960 0.002 0.000 0.246 131 G C 0.452 175.400 174.900 0.080 0.000 0.990 131 G CA 0.545 45.681 45.100 0.059 0.000 0.627 131 G HN 1.290 9.580 8.290 -0.000 0.000 0.522 132 A N 0.055 122.907 122.820 0.052 0.000 2.309 132 A HA 0.661 4.982 4.320 0.002 0.000 0.290 132 A C -0.434 177.182 177.584 0.054 0.000 1.206 132 A CA -0.264 51.804 52.037 0.051 0.000 0.850 132 A CB 0.451 19.454 19.000 0.006 0.000 1.118 132 A HN 1.204 9.354 8.150 -0.000 0.000 0.523 133 Y N 2.103 122.347 120.300 -0.092 0.000 2.342 133 Y HA 0.574 5.124 4.550 0.001 0.000 0.334 133 Y C 0.508 176.292 175.900 -0.193 0.000 1.067 133 Y CA 0.042 58.014 58.100 -0.213 0.000 1.128 133 Y CB 1.481 39.610 38.460 -0.551 0.000 1.200 133 Y HN 0.799 9.079 8.280 -0.000 0.000 0.464 134 G N 4.367 112.619 108.800 -0.913 0.000 2.672 134 G HA2 0.589 4.550 3.960 0.002 0.000 0.292 134 G HA3 0.589 4.550 3.960 0.002 0.000 0.292 134 G C -2.053 172.245 174.900 -1.004 0.000 1.375 134 G CA -0.893 43.722 45.100 -0.808 0.000 0.890 134 G HN 0.905 9.195 8.290 -0.000 0.000 0.476 135 H N -1.697 117.110 119.070 -0.439 0.000 3.046 135 H HA 0.786 5.343 4.556 0.002 0.000 0.363 135 H C -0.829 174.442 175.328 -0.096 0.000 1.203 135 H CA -0.596 55.273 56.048 -0.298 0.000 1.169 135 H CB 1.577 31.238 29.762 -0.167 0.000 1.851 135 H HN 0.834 9.114 8.280 -0.000 0.000 0.546 136 S N 2.320 118.074 115.700 0.089 0.000 2.720 136 S HA 0.789 5.260 4.470 0.002 0.000 0.287 136 S C -0.442 174.216 174.600 0.097 0.000 1.168 136 S CA -0.961 57.291 58.200 0.087 0.000 0.832 136 S CB 2.699 65.906 63.200 0.012 0.000 1.166 136 S HN 0.896 9.206 8.310 -0.000 0.000 0.493 137 M N -0.399 119.243 119.600 0.071 0.000 2.603 137 M HA 0.668 5.149 4.480 0.002 0.000 0.275 137 M C -1.879 174.428 176.300 0.011 0.000 1.226 137 M CA -0.715 54.607 55.300 0.038 0.000 0.870 137 M CB 2.189 34.816 32.600 0.045 0.000 1.716 137 M HN 0.771 9.061 8.290 -0.000 0.000 0.482 138 K N 1.837 122.218 120.400 -0.030 0.000 2.468 138 K HA 0.790 5.112 4.320 0.002 0.000 0.252 138 K C -2.257 174.295 176.600 -0.079 0.000 0.932 138 K CA -0.668 55.598 56.287 -0.035 0.000 0.794 138 K CB 2.896 35.379 32.500 -0.030 0.000 1.241 138 K HN 0.738 8.988 8.250 -0.000 0.000 0.428 139 V N 4.190 124.069 119.914 -0.058 0.000 2.623 139 V HA 0.381 4.502 4.120 0.002 0.000 0.304 139 V C -0.546 175.538 176.094 -0.017 0.000 1.054 139 V CA -0.920 61.337 62.300 -0.073 0.000 0.882 139 V CB 1.681 33.442 31.823 -0.103 0.000 1.002 139 V HN 0.793 8.983 8.190 -0.000 0.000 0.424 140 M N 6.090 125.684 119.600 -0.010 0.000 2.113 140 M HA 0.611 5.092 4.480 0.002 0.000 0.352 140 M C -1.367 174.970 176.300 0.061 0.000 1.170 140 M CA -0.467 54.837 55.300 0.006 0.000 1.053 140 M CB 0.763 33.332 32.600 -0.050 0.000 1.601 140 M HN 0.581 8.871 8.290 -0.000 0.000 0.459 141 I N 9.106 129.734 120.570 0.097 0.000 2.382 141 I HA 0.384 4.555 4.170 0.002 0.000 0.286 141 I C -2.143 174.030 176.117 0.093 0.000 1.002 141 I CA -1.579 59.832 61.300 0.185 0.000 1.135 141 I CB 1.672 39.791 38.000 0.200 0.000 1.288 141 I HN 0.448 8.658 8.210 -0.000 0.000 0.448 142 P HA 0.308 4.728 4.420 -0.000 0.000 0.286 142 P C -0.701 176.640 177.300 0.068 0.000 1.269 142 P CA -0.291 62.845 63.100 0.060 0.000 0.787 142 P CB 1.364 33.047 31.700 -0.029 0.000 0.920 143 V N 0.444 120.429 119.914 0.119 0.000 3.158 143 V HA 0.718 4.839 4.120 0.002 0.000 0.311 143 V C -0.371 175.781 176.094 0.097 0.000 1.181 143 V CA -0.834 61.516 62.300 0.084 0.000 1.054 143 V CB 1.612 33.484 31.823 0.083 0.000 1.085 143 V HN 0.376 8.566 8.190 -0.000 0.000 0.446 144 T N 2.755 117.354 114.554 0.074 0.000 2.806 144 T HA 0.619 4.970 4.350 0.002 0.000 0.290 144 T C 0.083 174.821 174.700 0.063 0.000 0.966 144 T CA -0.032 62.114 62.100 0.077 0.000 1.060 144 T CB 0.858 69.770 68.868 0.074 0.000 0.927 144 T HN 1.223 9.463 8.240 -0.000 0.000 0.485 145 S N 3.247 118.984 115.700 0.062 0.000 2.482 145 S HA 0.769 5.240 4.470 0.002 0.000 0.303 145 S C -0.815 173.778 174.600 -0.011 0.000 1.091 145 S CA -0.995 57.222 58.200 0.028 0.000 1.057 145 S CB 1.244 64.472 63.200 0.046 0.000 1.031 145 S HN 0.669 8.979 8.310 -0.000 0.000 0.485 146 L N 2.475 123.655 121.223 -0.072 0.000 2.385 146 L HA 0.602 4.943 4.340 0.002 0.000 0.273 146 L C -0.725 175.988 176.870 -0.261 0.000 0.990 146 L CA -0.675 54.078 54.840 -0.146 0.000 0.821 146 L CB 1.605 43.608 42.059 -0.093 0.000 1.279 146 L HN 1.062 9.292 8.230 -0.000 0.000 0.412 147 C N 7.577 126.630 119.300 -0.412 0.000 2.566 147 C HA 0.405 4.866 4.460 0.002 0.000 0.393 147 C C -1.015 173.723 174.990 -0.421 0.000 1.309 147 C CA -1.393 57.358 59.018 -0.446 0.000 1.801 147 C CB 0.368 27.735 27.740 -0.621 0.000 2.493 147 C HN 0.775 9.005 8.230 -0.000 0.000 0.575 148 P HA -0.048 4.372 4.420 -0.000 0.000 0.217 148 P C 1.839 178.955 177.300 -0.306 0.000 1.151 148 P CA 1.310 64.092 63.100 -0.530 0.000 0.828 148 P CB -0.184 31.046 31.700 -0.784 0.000 0.788 149 C N -0.336 118.852 119.300 -0.187 0.000 2.432 149 C HA -0.115 4.346 4.460 0.002 0.000 0.277 149 C C 3.033 178.033 174.990 0.017 0.000 1.249 149 C CA 1.776 60.825 59.018 0.051 0.000 1.725 149 C CB -1.756 26.144 27.740 0.266 0.000 2.028 149 C HN 0.251 8.481 8.230 -0.000 0.000 0.477 150 S N 0.213 115.916 115.700 0.004 0.000 2.377 150 S HA -0.298 4.173 4.470 0.002 0.000 0.224 150 S C 2.117 176.706 174.600 -0.018 0.000 1.042 150 S CA 2.341 60.559 58.200 0.029 0.000 1.086 150 S CB -0.672 62.538 63.200 0.018 0.000 0.995 150 S HN 0.767 9.077 8.310 -0.000 0.000 0.428 151 K N 0.565 120.904 120.400 -0.102 0.000 2.059 151 K HA -0.230 4.092 4.320 0.002 0.000 0.212 151 K C 2.239 178.780 176.600 -0.098 0.000 1.050 151 K CA 2.106 58.309 56.287 -0.140 0.000 0.927 151 K CB -0.435 31.847 32.500 -0.362 0.000 0.714 151 K HN 0.570 8.820 8.250 -0.000 0.000 0.447 152 E N 0.492 120.631 120.200 -0.102 0.000 2.077 152 E HA -0.177 4.174 4.350 0.002 0.000 0.193 152 E C 2.003 178.582 176.600 -0.034 0.000 0.989 152 E CA 1.679 58.037 56.400 -0.069 0.000 0.800 152 E CB -0.139 29.527 29.700 -0.056 0.000 0.746 152 E HN 0.643 9.003 8.360 -0.000 0.000 0.452 153 I N -2.264 118.296 120.570 -0.017 0.000 3.427 153 I HA 0.154 4.325 4.170 0.002 0.000 0.288 153 I C 0.277 176.379 176.117 -0.026 0.000 1.249 153 I CA -0.195 61.099 61.300 -0.009 0.000 1.421 153 I CB 0.560 38.568 38.000 0.014 0.000 1.086 153 I HN -0.184 8.026 8.210 -0.000 0.000 0.448 154 S N 2.248 117.933 115.700 -0.025 0.000 2.554 154 S HA 0.174 4.645 4.470 0.002 0.000 0.278 154 S C 0.900 175.442 174.600 -0.096 0.000 1.242 154 S CA -0.575 57.593 58.200 -0.055 0.000 1.051 154 S CB 1.621 64.824 63.200 0.006 0.000 0.986 154 S HN 0.474 8.784 8.310 -0.000 0.000 0.502 155 Q N 1.012 120.660 119.800 -0.252 0.000 2.291 155 Q HA -0.081 4.260 4.340 0.002 0.000 0.205 155 Q C -0.528 175.343 176.000 -0.215 0.000 0.970 155 Q CA 1.155 56.777 55.803 -0.302 0.000 0.876 155 Q CB -0.439 28.024 28.738 -0.458 0.000 0.935 155 Q HN 0.782 9.052 8.270 -0.000 0.000 0.455 156 Y N -3.065 117.276 120.300 0.068 0.000 2.592 156 Y HA 0.652 5.203 4.550 0.002 0.000 0.334 156 Y C 0.126 176.090 175.900 0.107 0.000 1.136 156 Y CA -1.270 56.879 58.100 0.080 0.000 1.042 156 Y CB 0.676 39.153 38.460 0.027 0.000 1.325 156 Y HN 0.206 8.486 8.280 -0.000 0.000 0.457 157 G N 0.133 109.153 108.800 0.366 0.000 2.829 157 G HA2 0.450 4.411 3.960 0.002 0.000 0.628 157 G HA3 0.450 4.411 3.960 0.002 0.000 0.628 157 G C -0.840 174.256 174.900 0.326 0.000 1.412 157 G CA 0.092 45.374 45.100 0.303 0.000 0.864 157 G HN 2.395 10.685 8.290 -0.000 0.000 0.544 158 A N -0.167 122.798 122.820 0.242 0.000 2.530 158 A HA 0.722 5.043 4.320 0.002 0.000 0.297 158 A C -0.448 177.188 177.584 0.087 0.000 1.059 158 A CA 0.463 52.572 52.037 0.121 0.000 0.782 158 A CB 0.513 19.532 19.000 0.032 0.000 1.301 158 A HN 2.533 10.683 8.150 -0.000 0.000 0.394 159 H N 2.060 121.157 119.070 0.045 0.000 2.732 159 H HA 0.663 5.220 4.556 0.002 0.000 0.351 159 H C 0.043 175.389 175.328 0.029 0.000 1.090 159 H CA 0.567 56.633 56.048 0.030 0.000 1.431 159 H CB 0.664 30.427 29.762 0.000 0.000 1.447 159 H HN 0.700 8.980 8.280 -0.000 0.000 0.582 160 N N 2.407 121.171 118.700 0.105 0.000 2.774 160 N HA 0.349 5.090 4.740 0.002 0.000 0.264 160 N C -1.469 174.130 175.510 0.147 0.000 1.415 160 N CA -0.983 52.102 53.050 0.058 0.000 0.815 160 N CB 2.634 41.139 38.487 0.031 0.000 1.514 160 N HN 0.866 9.246 8.380 -0.000 0.000 0.523 161 Q N -0.498 119.376 119.800 0.122 0.000 2.721 161 Q HA 0.298 4.639 4.340 0.002 0.000 0.282 161 Q C -1.426 174.658 176.000 0.139 0.000 0.932 161 Q CA -0.692 55.195 55.803 0.140 0.000 0.816 161 Q CB 1.827 30.673 28.738 0.180 0.000 1.506 161 Q HN 0.704 8.974 8.270 -0.000 0.000 0.399 162 R N 0.777 121.365 120.500 0.147 0.000 2.679 162 R HA 0.405 4.746 4.340 0.002 0.000 0.268 162 R C -0.462 176.007 176.300 0.281 0.000 1.044 162 R CA 0.867 57.072 56.100 0.175 0.000 1.105 162 R CB 0.472 30.849 30.300 0.128 0.000 0.989 162 R HN 0.831 9.101 8.270 -0.000 0.000 0.447 163 S N 2.339 118.202 115.700 0.271 0.000 2.540 163 S HA 0.287 4.758 4.470 0.002 0.000 0.275 163 S C -1.203 173.631 174.600 0.390 0.000 1.123 163 S CA -0.963 57.401 58.200 0.272 0.000 0.907 163 S CB 1.451 64.734 63.200 0.138 0.000 1.081 163 S HN 0.760 9.070 8.310 -0.000 0.000 0.476 164 H N 1.063 120.281 119.070 0.246 0.000 2.556 164 H HA 0.523 5.080 4.556 0.002 0.000 0.310 164 H C -0.838 174.568 175.328 0.131 0.000 1.057 164 H CA -0.915 55.256 56.048 0.205 0.000 1.264 164 H CB 1.493 31.431 29.762 0.293 0.000 1.404 164 H HN 0.422 8.702 8.280 -0.000 0.000 0.462 165 V N 4.564 124.601 119.914 0.206 0.000 2.350 165 V HA 0.149 4.270 4.120 0.002 0.000 0.276 165 V C 0.263 176.423 176.094 0.110 0.000 1.028 165 V CA -0.447 61.933 62.300 0.133 0.000 0.860 165 V CB 1.359 33.241 31.823 0.099 0.000 0.990 165 V HN 0.800 8.990 8.190 -0.000 0.000 0.453 166 T N 4.712 119.329 114.554 0.105 0.000 2.770 166 T HA 0.563 4.914 4.350 0.002 0.000 0.283 166 T C -0.360 174.380 174.700 0.066 0.000 0.988 166 T CA -0.389 61.758 62.100 0.079 0.000 0.957 166 T CB 1.606 70.528 68.868 0.091 0.000 0.930 166 T HN 0.318 8.558 8.240 -0.000 0.000 0.443 167 V N 3.536 123.476 119.914 0.045 0.000 2.409 167 V HA 0.479 4.600 4.120 0.002 0.000 0.291 167 V C -0.119 176.003 176.094 0.047 0.000 1.020 167 V CA -0.691 61.636 62.300 0.045 0.000 0.848 167 V CB 1.753 33.583 31.823 0.011 0.000 0.990 167 V HN 0.980 9.170 8.190 -0.000 0.000 0.430 168 S N 6.484 122.232 115.700 0.080 0.000 2.454 168 S HA 0.883 5.354 4.470 0.002 0.000 0.306 168 S C -0.590 174.086 174.600 0.127 0.000 1.100 168 S CA -0.623 57.622 58.200 0.074 0.000 1.087 168 S CB 1.473 64.706 63.200 0.055 0.000 1.019 168 S HN 0.676 8.986 8.310 -0.000 0.000 0.480 169 L N 0.076 121.364 121.223 0.108 0.000 2.465 169 L HA 0.964 5.305 4.340 0.002 0.000 0.257 169 L C -0.428 176.509 176.870 0.112 0.000 0.988 169 L CA -0.700 54.229 54.840 0.148 0.000 0.827 169 L CB 1.756 43.902 42.059 0.145 0.000 1.397 169 L HN 0.597 8.827 8.230 -0.000 0.000 0.410 170 T N -1.108 113.510 114.554 0.107 0.000 2.863 170 T HA 0.914 5.265 4.350 0.002 0.000 0.285 170 T C -0.280 174.470 174.700 0.083 0.000 1.009 170 T CA 0.094 62.231 62.100 0.061 0.000 0.989 170 T CB 1.528 70.387 68.868 -0.015 0.000 1.004 170 T HN 1.330 9.570 8.240 -0.000 0.000 0.455 171 S N 1.108 116.862 115.700 0.089 0.000 2.588 171 S HA 0.524 4.995 4.470 0.002 0.000 0.275 171 S C 0.132 174.802 174.600 0.117 0.000 1.130 171 S CA -0.513 57.775 58.200 0.146 0.000 0.855 171 S CB 1.886 65.224 63.200 0.230 0.000 1.116 171 S HN 0.809 9.119 8.310 -0.000 0.000 0.472 172 D N 1.203 121.686 120.400 0.138 0.000 2.240 172 D HA 0.297 4.938 4.640 0.002 0.000 0.206 172 D C 0.795 177.285 176.300 0.317 0.000 0.963 172 D CA 0.696 54.784 54.000 0.147 0.000 0.863 172 D CB -0.359 40.495 40.800 0.089 0.000 0.973 172 D HN 0.782 9.152 8.370 -0.000 0.000 0.501 173 A N 0.027 122.998 122.820 0.251 0.000 2.322 173 A HA 0.444 4.765 4.320 0.002 0.000 0.327 173 A C -0.297 177.311 177.584 0.039 0.000 1.134 173 A CA -0.694 51.424 52.037 0.135 0.000 0.831 173 A CB 0.878 19.899 19.000 0.034 0.000 1.288 173 A HN 0.128 8.278 8.150 -0.000 0.000 0.472 174 E N 0.481 120.446 120.200 -0.391 0.000 2.480 174 E HA 0.285 4.636 4.350 0.002 0.000 0.258 174 E C -1.123 175.369 176.600 -0.180 0.000 0.984 174 E CA 0.116 56.188 56.400 -0.547 0.000 0.930 174 E CB 0.308 29.360 29.700 -1.079 0.000 0.936 174 E HN 0.315 8.675 8.360 -0.000 0.000 0.466 175 V N 4.780 124.661 119.914 -0.055 0.000 2.409 175 V HA 0.404 4.525 4.120 0.002 0.000 0.291 175 V C 0.767 176.840 176.094 -0.034 0.000 1.020 175 V CA -0.435 61.856 62.300 -0.014 0.000 0.848 175 V CB 1.531 33.387 31.823 0.056 0.000 0.990 175 V HN 0.833 9.023 8.190 -0.000 0.000 0.430 176 G N 3.085 111.846 108.800 -0.065 0.000 2.491 176 G HA2 0.365 4.326 3.960 0.002 0.000 0.242 176 G HA3 0.365 4.326 3.960 0.002 0.000 0.242 176 G C 0.964 175.794 174.900 -0.117 0.000 1.266 176 G CA -0.347 44.706 45.100 -0.077 0.000 0.844 176 G HN 0.716 9.006 8.290 -0.000 0.000 0.571 177 I N 0.849 121.315 120.570 -0.172 0.000 2.118 177 I HA -0.235 3.936 4.170 0.002 0.000 0.241 177 I C 2.899 178.814 176.117 -0.337 0.000 1.070 177 I CA 1.848 62.944 61.300 -0.339 0.000 1.327 177 I CB -0.120 37.455 38.000 -0.708 0.000 1.034 177 I HN 0.694 8.904 8.210 -0.000 0.000 0.405 178 E N 1.687 121.738 120.200 -0.249 0.000 2.209 178 E HA -0.265 4.087 4.350 0.002 0.000 0.196 178 E C 1.591 178.071 176.600 -0.201 0.000 0.993 178 E CA 1.466 57.757 56.400 -0.182 0.000 0.819 178 E CB -0.573 29.093 29.700 -0.057 0.000 0.745 178 E HN 0.618 8.978 8.360 -0.000 0.000 0.477 179 E N 0.732 120.807 120.200 -0.207 0.000 2.072 179 E HA -0.090 4.261 4.350 0.002 0.000 0.191 179 E C 2.354 178.755 176.600 -0.331 0.000 0.985 179 E CA 1.332 57.544 56.400 -0.314 0.000 0.801 179 E CB 0.022 29.563 29.700 -0.266 0.000 0.750 179 E HN 0.137 8.497 8.360 -0.000 0.000 0.452 180 V N 1.564 121.389 119.914 -0.149 0.000 2.295 180 V HA -0.255 3.867 4.120 0.002 0.000 0.246 180 V C 2.282 178.337 176.094 -0.065 0.000 1.049 180 V CA 1.480 63.767 62.300 -0.022 0.000 1.024 180 V CB -0.421 31.378 31.823 -0.039 0.000 0.648 180 V HN 0.226 8.416 8.190 -0.000 0.000 0.447 181 I N 0.264 120.730 120.570 -0.173 0.000 2.163 181 I HA -0.274 3.897 4.170 0.002 0.000 0.243 181 I C 2.329 178.388 176.117 -0.098 0.000 1.085 181 I CA 1.822 63.013 61.300 -0.181 0.000 1.347 181 I CB -0.512 37.251 38.000 -0.394 0.000 1.044 181 I HN 0.322 8.532 8.210 -0.000 0.000 0.408 182 D N -0.097 120.216 120.400 -0.145 0.000 2.117 182 D HA -0.190 4.451 4.640 0.002 0.000 0.197 182 D C 2.136 178.397 176.300 -0.065 0.000 0.987 182 D CA 1.417 55.343 54.000 -0.122 0.000 0.829 182 D CB -0.365 40.323 40.800 -0.187 0.000 0.961 182 D HN 0.302 8.672 8.370 -0.000 0.000 0.460 183 Y N 0.984 121.247 120.300 -0.062 0.000 2.193 183 Y HA -0.177 4.374 4.550 0.002 0.000 0.285 183 Y C 2.505 178.372 175.900 -0.055 0.000 1.166 183 Y CA 0.371 58.430 58.100 -0.068 0.000 1.181 183 Y CB -0.787 37.612 38.460 -0.102 0.000 0.976 183 Y HN -0.129 8.151 8.280 -0.000 0.000 0.520 184 V N -0.536 119.447 119.914 0.115 0.000 2.331 184 V HA -0.181 3.940 4.120 0.002 0.000 0.242 184 V C 2.028 178.159 176.094 0.061 0.000 1.034 184 V CA 1.676 64.018 62.300 0.070 0.000 1.027 184 V CB -0.489 31.372 31.823 0.063 0.000 0.667 184 V HN 0.291 8.481 8.190 -0.000 0.000 0.457 185 E N 0.027 120.260 120.200 0.054 0.000 2.153 185 E HA -0.190 4.161 4.350 0.002 0.000 0.194 185 E C 2.251 178.882 176.600 0.050 0.000 0.988 185 E CA 1.630 58.061 56.400 0.051 0.000 0.811 185 E CB -0.239 29.489 29.700 0.045 0.000 0.746 185 E HN 0.517 8.877 8.360 -0.000 0.000 0.466 186 T N 1.050 115.634 114.554 0.049 0.000 2.759 186 T HA -0.150 4.201 4.350 0.002 0.000 0.269 186 T C 1.638 176.368 174.700 0.049 0.000 1.042 186 T CA 1.061 63.192 62.100 0.052 0.000 1.140 186 T CB -0.008 68.894 68.868 0.056 0.000 0.864 186 T HN 0.085 8.325 8.240 -0.000 0.000 0.455 187 Q N 0.049 119.877 119.800 0.047 0.000 2.408 187 Q HA 0.366 4.707 4.340 0.002 0.000 0.205 187 Q C 0.986 177.004 176.000 0.031 0.000 0.919 187 Q CA -0.045 55.777 55.803 0.033 0.000 0.932 187 Q CB -0.174 28.579 28.738 0.024 0.000 1.058 187 Q HN 0.514 8.784 8.270 -0.000 0.000 0.517 188 A N 0.622 123.466 122.820 0.040 0.000 2.483 188 A HA 0.144 4.465 4.320 0.002 0.000 0.238 188 A C 1.410 179.013 177.584 0.032 0.000 1.070 188 A CA 0.147 52.208 52.037 0.040 0.000 0.770 188 A CB 0.390 19.420 19.000 0.049 0.000 1.008 188 A HN 0.199 8.349 8.150 -0.000 0.000 0.497 189 S N -0.541 115.170 115.700 0.018 0.000 2.378 189 S HA -0.174 4.297 4.470 0.002 0.000 0.229 189 S C 0.752 175.373 174.600 0.033 0.000 1.052 189 S CA 1.770 59.973 58.200 0.005 0.000 1.084 189 S CB -0.429 62.765 63.200 -0.011 0.000 0.950 189 S HN 1.029 9.339 8.310 -0.000 0.000 0.440 190 C N 0.656 119.990 119.300 0.056 0.000 3.241 190 C HA 0.434 4.895 4.460 0.002 0.000 0.348 190 C C -1.081 173.953 174.990 0.073 0.000 1.180 190 C CA -1.140 57.934 59.018 0.094 0.000 1.273 190 C CB 1.073 28.889 27.740 0.127 0.000 1.620 190 C HN 0.660 8.890 8.230 -0.000 0.000 0.510 191 Q N 3.643 123.477 119.800 0.056 0.000 2.249 191 Q HA 0.737 5.078 4.340 0.002 0.000 0.226 191 Q C -0.957 174.934 176.000 -0.182 0.000 0.983 191 Q CA -0.594 55.166 55.803 -0.071 0.000 0.930 191 Q CB 0.908 29.557 28.738 -0.148 0.000 1.193 191 Q HN 0.715 8.985 8.270 -0.000 0.000 0.508 192 L N 0.822 121.880 121.223 -0.275 0.000 2.360 192 L HA 0.509 4.850 4.340 0.002 0.000 0.271 192 L C -1.016 175.556 176.870 -0.497 0.000 1.057 192 L CA -0.957 53.748 54.840 -0.224 0.000 0.803 192 L CB 0.625 42.622 42.059 -0.102 0.000 1.207 192 L HN 0.656 8.886 8.230 -0.000 0.000 0.445 193 Y N -0.774 119.552 120.300 0.043 0.000 2.457 193 Y HA 0.334 4.885 4.550 0.001 0.000 0.343 193 Y C 0.943 176.860 175.900 0.027 0.000 0.994 193 Y CA -0.729 57.394 58.100 0.038 0.000 1.031 193 Y CB 1.915 40.397 38.460 0.037 0.000 1.246 193 Y HN 0.640 8.920 8.280 -0.000 0.000 0.449 194 G N 1.926 110.825 108.800 0.165 0.000 2.459 194 G HA2 -0.156 3.805 3.960 0.002 0.000 0.217 194 G HA3 -0.156 3.805 3.960 0.002 0.000 0.217 194 G C -0.002 174.960 174.900 0.103 0.000 1.183 194 G CA 0.482 45.646 45.100 0.107 0.000 0.776 194 G HN 0.521 8.811 8.290 -0.000 0.000 0.552 195 L N 0.587 121.875 121.223 0.109 0.000 2.305 195 L HA 0.668 5.009 4.340 0.002 0.000 0.284 195 L C -1.371 175.518 176.870 0.032 0.000 1.013 195 L CA -0.662 54.213 54.840 0.058 0.000 0.819 195 L CB 1.467 43.547 42.059 0.035 0.000 1.227 195 L HN 0.008 8.238 8.230 -0.000 0.000 0.417 196 L N 4.794 126.029 121.223 0.019 0.000 2.385 196 L HA 0.516 4.857 4.340 0.002 0.000 0.273 196 L C -0.482 176.377 176.870 -0.018 0.000 0.990 196 L CA -0.863 53.966 54.840 -0.017 0.000 0.821 196 L CB 1.995 44.064 42.059 0.017 0.000 1.279 196 L HN 0.494 8.724 8.230 -0.000 0.000 0.412 197 K N 0.916 121.292 120.400 -0.040 0.000 2.117 197 K HA 0.354 4.675 4.320 0.002 0.000 0.240 197 K C 0.966 177.555 176.600 -0.017 0.000 1.031 197 K CA -0.311 55.960 56.287 -0.027 0.000 0.909 197 K CB 0.626 33.106 32.500 -0.034 0.000 1.097 197 K HN 0.314 8.564 8.250 -0.000 0.000 0.492 198 R N 0.866 121.359 120.500 -0.011 0.000 2.115 198 R HA -0.159 4.183 4.340 0.002 0.000 0.239 198 R C -0.880 175.421 176.300 0.002 0.000 1.133 198 R CA 2.252 58.350 56.100 -0.003 0.000 0.935 198 R CB -1.077 29.220 30.300 -0.005 0.000 0.853 198 R HN 0.539 8.809 8.270 -0.000 0.000 0.433 199 P HA -0.155 4.265 4.420 -0.000 0.000 0.215 199 P C 0.205 177.519 177.300 0.024 0.000 1.153 199 P CA 1.456 64.561 63.100 0.009 0.000 0.853 199 P CB -0.109 31.588 31.700 -0.006 0.000 0.788 200 D N 0.355 120.742 120.400 -0.022 0.000 2.104 200 D HA -0.206 4.435 4.640 0.002 0.000 0.194 200 D C 2.021 178.348 176.300 0.046 0.000 0.994 200 D CA 1.301 55.272 54.000 -0.047 0.000 0.830 200 D CB -0.565 40.151 40.800 -0.142 0.000 0.959 200 D HN 0.384 8.754 8.370 -0.000 0.000 0.452 201 E N 1.340 121.561 120.200 0.036 0.000 2.118 201 E HA -0.238 4.113 4.350 0.002 0.000 0.195 201 E C 2.025 178.667 176.600 0.069 0.000 0.992 201 E CA 1.306 57.741 56.400 0.059 0.000 0.804 201 E CB 0.029 29.751 29.700 0.037 0.000 0.741 201 E HN 0.134 8.494 8.360 -0.000 0.000 0.458 202 K N -0.504 119.933 120.400 0.061 0.000 2.026 202 K HA -0.244 4.077 4.320 0.002 0.000 0.208 202 K C 2.185 178.833 176.600 0.079 0.000 1.048 202 K CA 1.583 57.900 56.287 0.050 0.000 0.929 202 K CB -0.428 32.094 32.500 0.037 0.000 0.713 202 K HN 0.279 8.529 8.250 -0.000 0.000 0.439 203 Y N 0.925 121.222 120.300 -0.006 0.000 2.097 203 Y HA -0.255 4.296 4.550 0.002 0.000 0.282 203 Y C 1.947 177.866 175.900 0.032 0.000 1.152 203 Y CA 1.716 59.819 58.100 0.006 0.000 1.136 203 Y CB -0.229 38.224 38.460 -0.012 0.000 0.975 203 Y HN -0.135 8.145 8.280 -0.000 0.000 0.498 204 V N -0.268 119.827 119.914 0.302 0.000 2.343 204 V HA -0.329 3.793 4.120 0.002 0.000 0.247 204 V C 2.261 178.416 176.094 0.101 0.000 1.051 204 V CA 2.419 64.862 62.300 0.237 0.000 1.036 204 V CB -0.988 30.994 31.823 0.264 0.000 0.654 204 V HN 0.528 8.718 8.190 -0.000 0.000 0.451 205 T N -0.344 114.251 114.554 0.068 0.000 2.684 205 T HA -0.218 4.133 4.350 0.002 0.000 0.267 205 T C 1.776 176.488 174.700 0.020 0.000 1.036 205 T CA 1.879 64.001 62.100 0.035 0.000 1.148 205 T CB -0.196 68.674 68.868 0.004 0.000 0.863 205 T HN 0.626 8.866 8.240 -0.000 0.000 0.436 206 E N 0.718 120.902 120.200 -0.027 0.000 2.046 206 E HA -0.072 4.279 4.350 0.002 0.000 0.190 206 E C 2.304 178.885 176.600 -0.032 0.000 0.982 206 E CA 0.743 57.121 56.400 -0.036 0.000 0.800 206 E CB -0.114 29.531 29.700 -0.091 0.000 0.756 206 E HN 0.385 8.745 8.360 -0.000 0.000 0.449 207 K N 1.142 121.450 120.400 -0.154 0.000 2.015 207 K HA -0.264 4.057 4.320 0.002 0.000 0.216 207 K C 2.191 178.774 176.600 -0.028 0.000 1.052 207 K CA 1.690 57.886 56.287 -0.151 0.000 0.937 207 K CB -0.222 32.155 32.500 -0.204 0.000 0.719 207 K HN 0.100 8.350 8.250 -0.000 0.000 0.446 208 A N 0.198 123.030 122.820 0.020 0.000 1.883 208 A HA -0.218 4.103 4.320 0.002 0.000 0.217 208 A C 2.115 179.723 177.584 0.040 0.000 1.186 208 A CA 1.693 53.751 52.037 0.036 0.000 0.624 208 A CB -1.059 17.977 19.000 0.060 0.000 0.822 208 A HN 0.608 8.758 8.150 -0.000 0.000 0.444 209 Y N 0.896 121.162 120.300 -0.057 0.000 2.165 209 Y HA -0.230 4.321 4.550 0.002 0.000 0.286 209 Y C 2.235 178.093 175.900 -0.069 0.000 1.155 209 Y CA 2.372 60.435 58.100 -0.060 0.000 1.164 209 Y CB -0.250 38.183 38.460 -0.045 0.000 0.978 209 Y HN 0.499 8.779 8.280 -0.000 0.000 0.513 210 E N -0.899 119.318 120.200 0.028 0.000 2.347 210 E HA -0.143 4.208 4.350 0.002 0.000 0.196 210 E C 0.564 177.107 176.600 -0.095 0.000 1.008 210 E CA 0.825 57.197 56.400 -0.046 0.000 0.852 210 E CB -0.045 29.647 29.700 -0.014 0.000 0.783 210 E HN 0.221 8.581 8.360 -0.000 0.000 0.505 211 N N 0.534 119.180 118.700 -0.091 0.000 2.644 211 N HA 0.092 4.833 4.740 0.002 0.000 0.313 211 N C -2.798 172.642 175.510 -0.117 0.000 1.863 211 N CA -2.210 50.788 53.050 -0.085 0.000 0.918 211 N CB 0.471 38.930 38.487 -0.046 0.000 1.320 211 N HN -0.121 8.259 8.380 -0.000 0.000 0.490 212 P HA 0.189 4.609 4.420 -0.000 0.000 0.271 212 P C -0.900 176.251 177.300 -0.248 0.000 1.216 212 P CA 0.119 63.077 63.100 -0.236 0.000 0.776 212 P CB 1.160 32.664 31.700 -0.327 0.000 0.881 213 K N 2.448 122.706 120.400 -0.236 0.000 2.513 213 K HA 0.375 4.696 4.320 0.002 0.000 0.251 213 K C -0.381 176.125 176.600 -0.157 0.000 0.939 213 K CA -0.680 55.498 56.287 -0.182 0.000 0.793 213 K CB 1.323 33.783 32.500 -0.066 0.000 1.241 213 K HN 0.235 8.485 8.250 -0.000 0.000 0.431 214 F N 0.983 120.913 119.950 -0.032 0.000 2.485 214 F HA -0.047 4.481 4.527 0.002 0.000 0.327 214 F C 2.023 177.813 175.800 -0.017 0.000 1.203 214 F CA -0.098 57.890 58.000 -0.021 0.000 1.295 214 F CB 0.351 39.341 39.000 -0.017 0.000 1.191 214 F HN 0.306 8.606 8.300 -0.000 0.000 0.588 215 V N 1.412 121.458 119.914 0.220 0.000 2.380 215 V HA -0.317 3.804 4.120 0.002 0.000 0.251 215 V C 1.867 177.999 176.094 0.064 0.000 1.063 215 V CA 2.388 64.747 62.300 0.098 0.000 1.055 215 V CB -0.369 31.486 31.823 0.053 0.000 0.657 215 V HN 0.818 9.008 8.190 -0.000 0.000 0.455 216 E N 0.050 120.295 120.200 0.075 0.000 2.058 216 E HA -0.224 4.127 4.350 0.002 0.000 0.194 216 E C 2.028 178.660 176.600 0.054 0.000 0.997 216 E CA 1.855 58.270 56.400 0.025 0.000 0.801 216 E CB -0.354 29.335 29.700 -0.017 0.000 0.746 216 E HN 0.664 9.024 8.360 -0.000 0.000 0.450 217 D N -0.153 120.318 120.400 0.118 0.000 2.123 217 D HA -0.174 4.467 4.640 0.002 0.000 0.196 217 D C 1.931 178.256 176.300 0.041 0.000 0.992 217 D CA 1.105 55.153 54.000 0.080 0.000 0.833 217 D CB -0.188 40.666 40.800 0.089 0.000 0.954 217 D HN 0.124 8.494 8.370 -0.000 0.000 0.455 218 M N 0.949 120.575 119.600 0.044 0.000 2.099 218 M HA -0.141 4.340 4.480 0.002 0.000 0.262 218 M C 2.194 178.503 176.300 0.015 0.000 1.067 218 M CA 1.156 56.472 55.300 0.027 0.000 1.124 218 M CB -0.389 32.233 32.600 0.036 0.000 1.353 218 M HN -0.005 8.285 8.290 -0.000 0.000 0.410 219 V N -1.492 118.429 119.914 0.011 0.000 2.407 219 V HA -0.229 3.892 4.120 0.002 0.000 0.248 219 V C 2.236 178.334 176.094 0.005 0.000 1.055 219 V CA 2.058 64.362 62.300 0.007 0.000 1.049 219 V CB -1.251 30.569 31.823 -0.005 0.000 0.662 219 V HN 0.488 8.678 8.190 -0.000 0.000 0.455 220 R N 0.503 121.004 120.500 0.002 0.000 2.073 220 R HA -0.122 4.219 4.340 0.002 0.000 0.234 220 R C 2.224 178.509 176.300 -0.025 0.000 1.134 220 R CA 2.002 58.099 56.100 -0.005 0.000 0.952 220 R CB -0.618 29.682 30.300 -0.001 0.000 0.850 220 R HN 0.531 8.801 8.270 -0.000 0.000 0.433 221 D N 0.062 120.449 120.400 -0.021 0.000 2.123 221 D HA -0.135 4.506 4.640 0.002 0.000 0.196 221 D C 1.930 178.190 176.300 -0.068 0.000 0.992 221 D CA 1.099 55.078 54.000 -0.034 0.000 0.833 221 D CB -0.206 40.586 40.800 -0.013 0.000 0.954 221 D HN 0.028 8.398 8.370 -0.000 0.000 0.455 222 V N 1.142 121.014 119.914 -0.070 0.000 2.379 222 V HA -0.172 3.949 4.120 0.002 0.000 0.245 222 V C 2.499 178.439 176.094 -0.256 0.000 1.044 222 V CA 1.608 63.829 62.300 -0.131 0.000 1.036 222 V CB -0.768 31.006 31.823 -0.082 0.000 0.664 222 V HN 0.183 8.373 8.190 -0.000 0.000 0.453 223 A N 0.028 122.743 122.820 -0.175 0.000 1.902 223 A HA -0.237 4.084 4.320 0.002 0.000 0.217 223 A C 2.396 179.818 177.584 -0.269 0.000 1.181 223 A CA 2.509 54.421 52.037 -0.209 0.000 0.623 223 A CB -1.046 18.010 19.000 0.094 0.000 0.818 223 A HN 0.504 8.654 8.150 -0.000 0.000 0.443 224 T N 0.214 114.661 114.554 -0.179 0.000 2.665 224 T HA -0.160 4.191 4.350 0.002 0.000 0.268 224 T C 2.222 176.768 174.700 -0.257 0.000 1.035 224 T CA 1.879 63.875 62.100 -0.174 0.000 1.151 224 T CB -0.395 68.409 68.868 -0.107 0.000 0.862 224 T HN 0.490 8.730 8.240 -0.000 0.000 0.438 225 S N 1.178 116.680 115.700 -0.329 0.000 2.368 225 S HA 0.057 4.528 4.470 0.002 0.000 0.225 225 S C 2.029 176.213 174.600 -0.693 0.000 1.030 225 S CA 0.858 58.775 58.200 -0.473 0.000 0.999 225 S CB -0.387 62.482 63.200 -0.551 0.000 0.844 225 S HN 0.395 8.705 8.310 -0.000 0.000 0.459 226 L N 0.593 121.350 121.223 -0.777 0.000 2.179 226 L HA 0.059 4.400 4.340 0.002 0.000 0.208 226 L C 2.079 178.643 176.870 -0.510 0.000 1.096 226 L CA 0.759 55.086 54.840 -0.854 0.000 0.779 226 L CB -0.556 40.682 42.059 -1.369 0.000 0.922 226 L HN 0.249 8.479 8.230 -0.000 0.000 0.443 227 I N 0.509 120.833 120.570 -0.410 0.000 2.361 227 I HA -0.268 3.904 4.170 0.002 0.000 0.251 227 I C 2.703 178.731 176.117 -0.148 0.000 1.133 227 I CA 1.201 62.335 61.300 -0.276 0.000 1.413 227 I CB -0.283 37.475 38.000 -0.403 0.000 1.073 227 I HN 0.205 8.415 8.210 -0.000 0.000 0.424 228 A N -0.840 121.875 122.820 -0.175 0.000 2.016 228 A HA -0.134 4.187 4.320 0.002 0.000 0.217 228 A C 1.200 178.746 177.584 -0.064 0.000 1.162 228 A CA 0.534 52.511 52.037 -0.101 0.000 0.662 228 A CB -0.320 18.616 19.000 -0.106 0.000 0.812 228 A HN 0.320 8.470 8.150 -0.000 0.000 0.450 229 D N 0.333 120.672 120.400 -0.102 0.000 2.343 229 D HA 0.095 4.737 4.640 0.002 0.000 0.255 229 D C 0.358 176.671 176.300 0.022 0.000 1.187 229 D CA -0.103 53.883 54.000 -0.023 0.000 0.875 229 D CB 0.754 41.530 40.800 -0.040 0.000 1.136 229 D HN 0.026 8.396 8.370 -0.000 0.000 0.469 230 K N 3.559 123.983 120.400 0.041 0.000 2.432 230 K HA -0.018 4.303 4.320 0.002 0.000 0.196 230 K C 1.610 178.250 176.600 0.067 0.000 1.038 230 K CA 0.279 56.599 56.287 0.054 0.000 0.986 230 K CB 0.171 32.698 32.500 0.045 0.000 0.782 230 K HN 0.443 8.693 8.250 -0.000 0.000 0.485 231 R N 0.434 120.976 120.500 0.069 0.000 2.235 231 R HA 0.051 4.392 4.340 0.002 0.000 0.213 231 R C 0.261 176.623 176.300 0.105 0.000 1.059 231 R CA 0.395 56.545 56.100 0.083 0.000 0.997 231 R CB 0.016 30.363 30.300 0.079 0.000 0.884 231 R HN -0.009 8.261 8.270 -0.000 0.000 0.462 232 I N 1.945 122.583 120.570 0.113 0.000 2.301 232 I HA 0.049 4.220 4.170 0.002 0.000 0.292 232 I C 0.836 177.068 176.117 0.192 0.000 1.046 232 I CA -0.174 61.219 61.300 0.155 0.000 1.282 232 I CB 1.359 39.453 38.000 0.157 0.000 1.409 232 I HN -0.079 8.131 8.210 -0.000 0.000 0.484 233 K N 3.585 124.074 120.400 0.148 0.000 2.166 233 K HA 0.130 4.451 4.320 0.002 0.000 0.201 233 K C 0.542 177.201 176.600 0.097 0.000 1.052 233 K CA 0.556 56.905 56.287 0.103 0.000 0.969 233 K CB 0.177 32.701 32.500 0.039 0.000 0.761 233 K HN 0.702 8.952 8.250 -0.000 0.000 0.459 234 S N -0.129 115.646 115.700 0.125 0.000 2.607 234 S HA 0.733 5.204 4.470 0.002 0.000 0.273 234 S C -0.777 173.955 174.600 0.219 0.000 1.148 234 S CA -1.097 57.154 58.200 0.084 0.000 0.833 234 S CB 1.566 64.748 63.200 -0.029 0.000 1.130 234 S HN 0.178 8.488 8.310 -0.000 0.000 0.470 235 F N -1.588 118.433 119.950 0.119 0.000 2.693 235 F HA 0.852 5.381 4.527 0.002 0.000 0.309 235 F C -2.105 173.747 175.800 0.088 0.000 1.129 235 F CA -1.225 56.825 58.000 0.083 0.000 0.948 235 F CB 0.870 39.907 39.000 0.061 0.000 1.315 235 F HN 0.505 8.805 8.300 -0.000 0.000 0.447 236 V N 2.233 122.338 119.914 0.318 0.000 2.588 236 V HA 0.686 4.807 4.120 0.002 0.000 0.304 236 V C -0.881 175.401 176.094 0.313 0.000 1.042 236 V CA -0.896 61.565 62.300 0.268 0.000 0.877 236 V CB 1.709 33.587 31.823 0.092 0.000 0.996 236 V HN 0.790 8.979 8.190 -0.000 0.000 0.425 237 V N 4.015 124.123 119.914 0.323 0.000 2.384 237 V HA 0.506 4.627 4.120 0.002 0.000 0.287 237 V C -0.178 176.005 176.094 0.149 0.000 1.020 237 V CA -0.609 61.802 62.300 0.185 0.000 0.850 237 V CB 1.422 33.326 31.823 0.136 0.000 0.987 237 V HN 0.946 9.136 8.190 -0.000 0.000 0.436 238 E N 2.164 122.425 120.200 0.103 0.000 2.207 238 E HA 0.678 5.029 4.350 0.002 0.000 0.270 238 E C -0.723 175.905 176.600 0.047 0.000 0.927 238 E CA -0.505 55.928 56.400 0.056 0.000 0.799 238 E CB 2.236 32.015 29.700 0.131 0.000 1.172 238 E HN 0.597 8.957 8.360 -0.000 0.000 0.404 239 S N 1.668 117.354 115.700 -0.023 0.000 2.557 239 S HA 0.244 4.715 4.470 0.002 0.000 0.291 239 S C -1.298 173.329 174.600 0.045 0.000 1.116 239 S CA -0.692 57.529 58.200 0.034 0.000 0.992 239 S CB 1.192 64.407 63.200 0.024 0.000 1.028 239 S HN 0.515 8.825 8.310 -0.000 0.000 0.484 240 E N 3.487 123.734 120.200 0.078 0.000 2.165 240 E HA 0.334 4.686 4.350 0.002 0.000 0.266 240 E C -1.032 175.409 176.600 -0.265 0.000 0.889 240 E CA -0.437 55.923 56.400 -0.066 0.000 0.756 240 E CB 0.782 30.380 29.700 -0.170 0.000 1.131 240 E HN 0.724 9.084 8.360 -0.000 0.000 0.411 241 N N 4.366 122.927 118.700 -0.231 0.000 2.469 241 N HA 0.198 4.939 4.740 0.002 0.000 0.253 241 N C -1.094 174.279 175.510 -0.229 0.000 0.970 241 N CA -0.495 52.474 53.050 -0.136 0.000 0.940 241 N CB 0.710 39.211 38.487 0.023 0.000 1.128 241 N HN 0.337 8.717 8.380 -0.000 0.000 0.503 242 F N 2.034 121.989 119.950 0.009 0.000 2.678 242 F HA 0.050 4.578 4.527 0.001 0.000 0.358 242 F C 0.806 176.608 175.800 0.005 0.000 1.256 242 F CA -0.306 57.684 58.000 -0.017 0.000 1.278 242 F CB -0.378 38.579 39.000 -0.071 0.000 1.681 242 F HN 0.259 8.559 8.300 -0.000 0.000 0.661 243 E N 0.566 120.814 120.200 0.080 0.000 2.820 243 E HA -0.129 4.222 4.350 0.002 0.000 0.251 243 E C 1.327 177.913 176.600 -0.024 0.000 0.944 243 E CA 0.386 56.815 56.400 0.048 0.000 0.955 243 E CB 0.470 30.171 29.700 0.002 0.000 0.904 243 E HN 0.535 8.895 8.360 -0.000 0.000 0.513 244 S N 2.034 117.725 115.700 -0.014 0.000 2.561 244 S HA -0.083 4.388 4.470 0.002 0.000 0.225 244 S C 1.623 176.124 174.600 -0.166 0.000 0.977 244 S CA 0.553 58.737 58.200 -0.027 0.000 0.926 244 S CB -0.415 62.826 63.200 0.068 0.000 0.769 244 S HN 0.642 8.952 8.310 -0.000 0.000 0.533 245 I N -2.402 117.931 120.570 -0.394 0.000 4.070 245 I HA 0.472 4.643 4.170 0.002 0.000 0.328 245 I C 0.417 176.233 176.117 -0.502 0.000 1.298 245 I CA -0.513 60.488 61.300 -0.498 0.000 1.173 245 I CB -0.097 37.465 38.000 -0.731 0.000 1.051 245 I HN 0.108 8.318 8.210 -0.000 0.000 0.409 246 H N -0.146 118.807 119.070 -0.196 0.000 2.824 246 H HA 0.426 4.983 4.556 0.002 0.000 0.345 246 H C -0.457 174.785 175.328 -0.144 0.000 1.252 246 H CA -0.810 55.119 56.048 -0.199 0.000 1.246 246 H CB 0.827 30.275 29.762 -0.523 0.000 1.908 246 H HN -0.123 8.157 8.280 -0.000 0.000 0.601 247 N N -0.188 118.567 118.700 0.093 0.000 2.273 247 N HA 0.058 4.799 4.740 0.002 0.000 0.231 247 N C -1.291 174.299 175.510 0.133 0.000 1.134 247 N CA -0.187 52.917 53.050 0.091 0.000 0.856 247 N CB -0.136 38.410 38.487 0.099 0.000 1.068 247 N HN 0.605 8.985 8.380 -0.000 0.000 0.510 248 H N -3.922 115.213 119.070 0.107 0.000 2.908 248 H HA 0.738 5.295 4.556 0.002 0.000 0.350 248 H C -0.699 174.666 175.328 0.062 0.000 1.217 248 H CA -0.999 55.084 56.048 0.058 0.000 1.168 248 H CB 0.750 30.511 29.762 -0.002 0.000 1.891 248 H HN -0.237 8.043 8.280 -0.000 0.000 0.566 249 S N -0.342 115.413 115.700 0.091 0.000 2.608 249 S HA 0.697 5.168 4.470 0.002 0.000 0.291 249 S C -0.322 174.332 174.600 0.089 0.000 1.146 249 S CA -0.445 57.730 58.200 -0.041 0.000 1.043 249 S CB 1.395 64.445 63.200 -0.250 0.000 1.037 249 S HN 0.894 9.204 8.310 -0.000 0.000 0.520 250 A N 1.873 124.727 122.820 0.057 0.000 2.309 250 A HA 0.669 4.990 4.320 0.002 0.000 0.298 250 A C -1.138 176.525 177.584 0.132 0.000 1.165 250 A CA -0.261 51.845 52.037 0.115 0.000 0.821 250 A CB 0.089 19.159 19.000 0.117 0.000 1.102 250 A HN 0.765 8.915 8.150 -0.000 0.000 0.500 251 Y N 1.159 121.459 120.300 0.000 0.000 2.492 251 Y HA 0.629 5.180 4.550 0.002 0.000 0.346 251 Y C -0.342 175.579 175.900 0.035 0.000 0.997 251 Y CA -0.275 57.829 58.100 0.007 0.000 1.025 251 Y CB 1.824 40.292 38.460 0.014 0.000 1.263 251 Y HN 1.112 9.392 8.280 -0.000 0.000 0.454 252 A N 4.376 126.788 122.820 -0.680 0.000 2.606 252 A HA 0.779 5.100 4.320 0.002 0.000 0.293 252 A C -2.345 174.933 177.584 -0.510 0.000 1.082 252 A CA -0.444 51.283 52.037 -0.516 0.000 0.685 252 A CB 1.355 20.215 19.000 -0.233 0.000 1.284 252 A HN 1.246 9.396 8.150 -0.000 0.000 0.408 253 Y N -1.220 118.849 120.300 -0.385 0.000 2.592 253 Y HA 0.823 5.374 4.550 0.001 0.000 0.334 253 Y C -1.673 174.180 175.900 -0.079 0.000 1.136 253 Y CA -1.253 56.720 58.100 -0.212 0.000 1.042 253 Y CB 1.098 39.450 38.460 -0.180 0.000 1.325 253 Y HN 0.575 8.855 8.280 -0.000 0.000 0.457 254 I N 3.146 123.830 120.570 0.190 0.000 2.465 254 I HA 0.766 4.937 4.170 0.002 0.000 0.291 254 I C -0.611 175.641 176.117 0.224 0.000 1.014 254 I CA -1.164 60.212 61.300 0.127 0.000 1.093 254 I CB 2.007 40.081 38.000 0.123 0.000 1.267 254 I HN 0.917 9.127 8.210 -0.000 0.000 0.431 255 A N 6.297 129.198 122.820 0.135 0.000 2.330 255 A HA 0.745 5.066 4.320 0.002 0.000 0.327 255 A C -1.621 175.879 177.584 -0.140 0.000 1.155 255 A CA -0.379 51.674 52.037 0.027 0.000 0.803 255 A CB 1.036 20.106 19.000 0.116 0.000 1.208 255 A HN 0.686 8.836 8.150 -0.000 0.000 0.477 256 Y N 3.748 123.696 120.300 -0.586 0.000 2.479 256 Y HA 0.600 5.151 4.550 0.002 0.000 0.338 256 Y C -2.749 172.849 175.900 -0.504 0.000 1.055 256 Y CA -1.791 55.920 58.100 -0.648 0.000 1.023 256 Y CB 2.496 40.329 38.460 -1.045 0.000 1.287 256 Y HN 0.587 8.867 8.280 -0.000 0.000 0.447 257 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 257 P CA 0.000 62.463 63.100 -1.062 0.000 0.800 257 P CB 0.000 31.152 31.700 -0.913 0.000 0.726