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 2vaa_1_A DATA FIRST_RESID 1 DATA SEQUENCE GPHSLRYFVT AVSRPGLGEP RYMEVGYVDD TEFVRFDSDA ENPRYEPRAR DATA SEQUENCE WMEQEGPEYW ERETQKAKGN EQSFRVDLRT LLGYYNQSKG GSHTIQVISG DATA SEQUENCE cEVGSDGRLL RGYQQYAYDG CDYIALNEDL KTWTAADMAA LITKHKWEQA DATA SEQUENCE GEAERLRAYL EGTcVEWLRR YLKNGNATLL RTDSPKAHVT HHSRPEDKVT DATA SEQUENCE LRcWALGFYP ADITLTWQLN GEELIQDMEL VETRPAGDGT FQKWASVVVP DATA SEQUENCE LGKEQYYTcH VYHQGLPEPL TLRW 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 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 1 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 1 G C 0.000 174.671 174.900 -0.382 0.000 0.946 1 G CA 0.000 44.980 45.100 -0.201 0.000 0.502 2 P HA 0.352 4.772 4.420 -0.000 0.000 0.274 2 P C -1.161 175.833 177.300 -0.511 0.000 1.231 2 P CA 0.143 63.073 63.100 -0.285 0.000 0.790 2 P CB 1.076 32.696 31.700 -0.134 0.000 0.951 3 H N -0.522 118.564 119.070 0.027 0.000 2.895 3 H HA 0.484 5.039 4.556 -0.001 0.000 0.373 3 H C -0.166 175.201 175.328 0.064 0.000 1.174 3 H CA -0.439 55.635 56.048 0.042 0.000 1.144 3 H CB 2.294 32.072 29.762 0.027 0.000 1.793 3 H HN 0.504 8.784 8.280 -0.000 0.000 0.551 4 S N 1.353 117.189 115.700 0.227 0.000 2.569 4 S HA 0.523 4.993 4.470 -0.001 0.000 0.280 4 S C -1.349 173.365 174.600 0.190 0.000 1.111 4 S CA -0.915 57.397 58.200 0.186 0.000 0.887 4 S CB 2.328 65.651 63.200 0.205 0.000 1.095 4 S HN 0.341 8.651 8.310 -0.000 0.000 0.476 5 L N 1.851 123.174 121.223 0.166 0.000 2.316 5 L HA 0.687 5.027 4.340 -0.001 0.000 0.280 5 L C -0.651 176.320 176.870 0.169 0.000 1.006 5 L CA -0.292 54.665 54.840 0.195 0.000 0.836 5 L CB 0.986 43.201 42.059 0.262 0.000 1.221 5 L HN 0.872 9.102 8.230 -0.000 0.000 0.418 6 R N 4.143 124.738 120.500 0.157 0.000 2.686 6 R HA 0.576 4.915 4.340 -0.001 0.000 0.286 6 R C -1.711 174.581 176.300 -0.013 0.000 0.969 6 R CA -0.678 55.484 56.100 0.104 0.000 0.898 6 R CB 2.185 32.543 30.300 0.096 0.000 1.183 6 R HN 0.498 8.768 8.270 -0.000 0.000 0.456 7 Y N 1.590 121.959 120.300 0.116 0.000 2.350 7 Y HA 0.394 4.943 4.550 -0.001 0.000 0.338 7 Y C -0.750 175.139 175.900 -0.020 0.000 0.961 7 Y CA -0.637 57.570 58.100 0.178 0.000 1.100 7 Y CB 1.353 39.916 38.460 0.171 0.000 1.179 7 Y HN 0.409 8.689 8.280 -0.000 0.000 0.454 8 F N 3.220 123.341 119.950 0.286 0.000 2.361 8 F HA 0.547 5.074 4.527 -0.001 0.000 0.364 8 F C -0.278 175.566 175.800 0.073 0.000 1.120 8 F CA -0.984 57.116 58.000 0.166 0.000 1.102 8 F CB 0.863 39.957 39.000 0.156 0.000 1.183 8 F HN 0.075 8.375 8.300 -0.000 0.000 0.476 9 V N 2.688 122.667 119.914 0.109 0.000 2.547 9 V HA 0.668 4.788 4.120 -0.001 0.000 0.299 9 V C -0.209 175.795 176.094 -0.149 0.000 1.040 9 V CA -0.499 61.732 62.300 -0.116 0.000 0.913 9 V CB 2.152 33.858 31.823 -0.195 0.000 0.992 9 V HN 0.787 8.977 8.190 -0.000 0.000 0.449 10 T N 2.899 117.281 114.554 -0.287 0.000 2.916 10 T HA 0.764 5.114 4.350 -0.001 0.000 0.298 10 T C -0.627 173.974 174.700 -0.165 0.000 1.031 10 T CA -0.488 61.521 62.100 -0.152 0.000 0.993 10 T CB 1.831 70.656 68.868 -0.073 0.000 1.045 10 T HN 0.954 9.194 8.240 -0.000 0.000 0.454 11 A N 2.343 125.178 122.820 0.026 0.000 2.357 11 A HA 0.763 5.082 4.320 -0.001 0.000 0.295 11 A C -0.889 176.793 177.584 0.164 0.000 1.121 11 A CA -0.680 51.461 52.037 0.173 0.000 0.742 11 A CB 0.938 20.136 19.000 0.329 0.000 1.181 11 A HN 0.704 8.854 8.150 -0.000 0.000 0.454 12 V N 2.467 122.457 119.914 0.128 0.000 2.444 12 V HA 0.566 4.685 4.120 -0.001 0.000 0.294 12 V C 0.508 176.661 176.094 0.099 0.000 1.022 12 V CA -0.521 61.838 62.300 0.098 0.000 0.850 12 V CB 1.572 33.423 31.823 0.046 0.000 0.992 12 V HN 1.038 9.228 8.190 -0.000 0.000 0.426 13 S N 4.693 120.456 115.700 0.106 0.000 2.565 13 S HA 0.588 5.057 4.470 -0.001 0.000 0.274 13 S C -0.030 174.596 174.600 0.044 0.000 1.309 13 S CA -0.762 57.493 58.200 0.092 0.000 1.043 13 S CB 0.833 64.109 63.200 0.127 0.000 0.939 13 S HN 0.734 9.044 8.310 -0.000 0.000 0.504 14 R N 1.631 122.154 120.500 0.038 0.000 2.651 14 R HA 0.308 4.648 4.340 -0.001 0.000 0.282 14 R C -2.997 173.314 176.300 0.017 0.000 1.565 14 R CA -1.704 54.406 56.100 0.017 0.000 1.661 14 R CB 0.617 30.926 30.300 0.015 0.000 1.189 14 R HN 0.453 8.723 8.270 -0.000 0.000 0.621 15 P HA -0.085 4.335 4.420 -0.000 0.000 0.260 15 P C 0.963 178.269 177.300 0.011 0.000 1.172 15 P CA 1.380 64.492 63.100 0.020 0.000 0.760 15 P CB 0.809 32.520 31.700 0.020 0.000 0.773 16 G N 2.984 111.792 108.800 0.014 0.000 2.363 16 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.238 16 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.238 16 G C 0.528 175.432 174.900 0.007 0.000 1.062 16 G CA 0.088 45.194 45.100 0.009 0.000 0.629 16 G HN 0.508 8.798 8.290 -0.000 0.000 0.514 17 L N 1.713 122.940 121.223 0.007 0.000 2.783 17 L HA 0.515 4.855 4.340 -0.001 0.000 0.236 17 L C 1.604 178.480 176.870 0.010 0.000 1.225 17 L CA 0.275 55.119 54.840 0.005 0.000 1.026 17 L CB -0.742 41.318 42.059 0.002 0.000 1.314 17 L HN 1.208 9.438 8.230 -0.000 0.000 0.489 18 G N 0.306 109.114 108.800 0.014 0.000 2.527 18 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.227 18 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.227 18 G C -0.305 174.611 174.900 0.027 0.000 1.291 18 G CA -0.736 44.375 45.100 0.018 0.000 0.904 18 G HN 0.203 8.493 8.290 -0.000 0.000 0.577 19 E N 2.075 122.294 120.200 0.031 0.000 2.392 19 E HA 0.352 4.702 4.350 -0.001 0.000 0.259 19 E C -1.760 174.873 176.600 0.055 0.000 1.108 19 E CA -0.801 55.625 56.400 0.044 0.000 0.916 19 E CB 0.648 30.376 29.700 0.046 0.000 0.989 19 E HN 0.436 8.796 8.360 -0.000 0.000 0.432 20 P HA 0.136 4.556 4.420 -0.000 0.000 0.274 20 P C -0.367 176.996 177.300 0.106 0.000 1.237 20 P CA -0.228 62.927 63.100 0.092 0.000 0.793 20 P CB 0.804 32.577 31.700 0.122 0.000 0.977 21 R N 1.267 121.824 120.500 0.096 0.000 2.410 21 R HA 0.336 4.676 4.340 -0.001 0.000 0.288 21 R C -1.228 175.167 176.300 0.158 0.000 1.051 21 R CA -0.418 55.738 56.100 0.093 0.000 1.021 21 R CB 0.244 30.564 30.300 0.034 0.000 1.032 21 R HN 0.496 8.766 8.270 -0.000 0.000 0.481 22 Y N 4.679 125.000 120.300 0.035 0.000 2.391 22 Y HA 0.463 5.012 4.550 -0.001 0.000 0.341 22 Y C -1.228 174.713 175.900 0.067 0.000 0.965 22 Y CA -0.803 57.323 58.100 0.043 0.000 1.067 22 Y CB 1.576 40.093 38.460 0.095 0.000 1.199 22 Y HN 0.520 8.800 8.280 -0.000 0.000 0.450 23 M N 5.173 124.366 119.600 -0.679 0.000 2.446 23 M HA 0.431 4.911 4.480 -0.001 0.000 0.294 23 M C -1.554 174.434 176.300 -0.520 0.000 1.158 23 M CA -0.630 54.413 55.300 -0.428 0.000 0.899 23 M CB 2.943 35.408 32.600 -0.224 0.000 1.687 23 M HN 0.602 8.892 8.290 -0.000 0.000 0.455 24 E N 1.870 121.931 120.200 -0.231 0.000 2.256 24 E HA 0.667 5.016 4.350 -0.001 0.000 0.268 24 E C -1.543 175.073 176.600 0.026 0.000 0.877 24 E CA -0.819 55.544 56.400 -0.063 0.000 0.757 24 E CB 3.393 33.120 29.700 0.044 0.000 1.183 24 E HN 0.336 8.696 8.360 -0.000 0.000 0.418 25 V N 1.628 121.645 119.914 0.171 0.000 2.577 25 V HA 0.590 4.709 4.120 -0.001 0.000 0.303 25 V C 0.141 176.380 176.094 0.242 0.000 1.042 25 V CA -0.814 61.561 62.300 0.125 0.000 0.872 25 V CB 1.964 33.866 31.823 0.131 0.000 0.998 25 V HN 0.773 8.963 8.190 -0.000 0.000 0.423 26 G N 2.753 111.539 108.800 -0.022 0.000 2.400 26 G HA2 0.705 4.665 3.960 -0.001 0.000 0.333 26 G HA3 0.705 4.665 3.960 -0.001 0.000 0.333 26 G C -1.828 173.126 174.900 0.091 0.000 1.143 26 G CA -0.386 44.616 45.100 -0.164 0.000 0.914 26 G HN 0.461 8.751 8.290 -0.000 0.000 0.480 27 Y N -0.121 120.386 120.300 0.346 0.000 2.492 27 Y HA 0.489 5.038 4.550 -0.001 0.000 0.346 27 Y C -0.270 175.788 175.900 0.263 0.000 0.997 27 Y CA -0.780 57.575 58.100 0.425 0.000 1.025 27 Y CB 2.938 41.631 38.460 0.388 0.000 1.263 27 Y HN 0.366 8.646 8.280 -0.000 0.000 0.454 28 V N 4.324 124.432 119.914 0.324 0.000 2.350 28 V HA 0.332 4.452 4.120 -0.001 0.000 0.285 28 V C -0.421 175.853 176.094 0.301 0.000 1.014 28 V CA -0.743 61.645 62.300 0.146 0.000 0.831 28 V CB 0.708 32.483 31.823 -0.080 0.000 1.000 28 V HN 0.978 9.168 8.190 -0.000 0.000 0.433 29 D N 3.269 123.847 120.400 0.297 0.000 3.528 29 D HA -0.227 4.413 4.640 -0.001 0.000 0.163 29 D C 0.606 177.120 176.300 0.357 0.000 1.069 29 D CA 1.587 55.763 54.000 0.293 0.000 1.082 29 D CB -0.310 40.675 40.800 0.309 0.000 0.538 29 D HN 0.663 9.033 8.370 -0.000 0.000 0.579 30 D N 0.447 121.074 120.400 0.378 0.000 2.319 30 D HA 0.085 4.724 4.640 -0.001 0.000 0.230 30 D C -0.068 176.683 176.300 0.751 0.000 1.094 30 D CA 0.598 54.886 54.000 0.481 0.000 0.856 30 D CB -0.037 40.947 40.800 0.306 0.000 0.915 30 D HN 0.061 8.431 8.370 -0.000 0.000 0.517 31 T N 0.954 115.914 114.554 0.677 0.000 2.758 31 T HA 0.131 4.481 4.350 -0.001 0.000 0.285 31 T C 0.110 175.033 174.700 0.372 0.000 0.981 31 T CA -0.584 61.837 62.100 0.535 0.000 0.965 31 T CB 2.227 71.376 68.868 0.468 0.000 0.927 31 T HN -0.005 8.235 8.240 -0.000 0.000 0.448 32 E N 2.496 122.733 120.200 0.062 0.000 2.384 32 E HA 0.162 4.511 4.350 -0.001 0.000 0.266 32 E C -0.069 176.517 176.600 -0.023 0.000 1.012 32 E CA -0.093 56.063 56.400 -0.406 0.000 0.901 32 E CB 0.330 29.780 29.700 -0.417 0.000 0.967 32 E HN 0.696 9.056 8.360 -0.000 0.000 0.435 33 F N 3.621 123.417 119.950 -0.257 0.000 2.876 33 F HA 0.240 4.767 4.527 -0.001 0.000 0.344 33 F C -0.798 174.909 175.800 -0.155 0.000 1.029 33 F CA -0.229 57.618 58.000 -0.255 0.000 1.154 33 F CB 0.308 39.148 39.000 -0.266 0.000 1.040 33 F HN 0.141 8.441 8.300 -0.000 0.000 0.576 34 V N -0.436 119.046 119.914 -0.720 0.000 3.087 34 V HA 0.768 4.888 4.120 -0.001 0.000 0.306 34 V C -0.991 174.977 176.094 -0.210 0.000 1.187 34 V CA -1.096 60.986 62.300 -0.364 0.000 0.999 34 V CB 1.852 33.510 31.823 -0.275 0.000 1.049 34 V HN 0.521 8.711 8.190 -0.000 0.000 0.431 35 R N 1.784 122.185 120.500 -0.165 0.000 2.663 35 R HA 0.741 5.080 4.340 -0.001 0.000 0.267 35 R C -2.631 173.424 176.300 -0.409 0.000 1.038 35 R CA -0.571 55.377 56.100 -0.254 0.000 0.886 35 R CB 2.488 32.669 30.300 -0.197 0.000 1.249 35 R HN 0.938 9.208 8.270 -0.000 0.000 0.463 36 F N 2.475 122.091 119.950 -0.557 0.000 2.574 36 F HA 0.439 4.966 4.527 -0.001 0.000 0.313 36 F C -1.687 173.949 175.800 -0.274 0.000 1.130 36 F CA -0.511 57.194 58.000 -0.493 0.000 0.936 36 F CB 2.042 40.653 39.000 -0.649 0.000 1.219 36 F HN 0.490 8.790 8.300 -0.000 0.000 0.445 37 D N 2.726 122.643 120.400 -0.806 0.000 2.686 37 D HA 0.187 4.826 4.640 -0.001 0.000 0.249 37 D C 0.437 176.352 176.300 -0.642 0.000 1.260 37 D CA -0.004 53.693 54.000 -0.506 0.000 0.910 37 D CB 2.142 42.750 40.800 -0.320 0.000 1.323 37 D HN 0.515 8.885 8.370 -0.000 0.000 0.561 38 S N 2.427 117.928 115.700 -0.332 0.000 2.447 38 S HA -0.144 4.326 4.470 -0.001 0.000 0.233 38 S C 1.051 175.575 174.600 -0.127 0.000 1.006 38 S CA 0.786 58.894 58.200 -0.154 0.000 0.957 38 S CB 0.098 63.389 63.200 0.152 0.000 0.773 38 S HN 0.365 8.675 8.310 -0.000 0.000 0.507 39 D N 2.084 122.405 120.400 -0.131 0.000 2.347 39 D HA 0.392 5.032 4.640 -0.001 0.000 0.213 39 D C 0.918 177.146 176.300 -0.120 0.000 0.985 39 D CA 0.549 54.492 54.000 -0.095 0.000 0.879 39 D CB -0.151 40.604 40.800 -0.075 0.000 0.919 39 D HN 0.621 8.991 8.370 -0.000 0.000 0.526 40 A N 0.665 123.375 122.820 -0.184 0.000 2.507 40 A HA -0.011 4.308 4.320 -0.001 0.000 0.235 40 A C 1.297 178.806 177.584 -0.126 0.000 1.070 40 A CA -0.036 51.896 52.037 -0.175 0.000 0.768 40 A CB 0.352 19.203 19.000 -0.248 0.000 1.011 40 A HN -0.026 8.124 8.150 -0.000 0.000 0.502 41 E N 0.636 120.776 120.200 -0.100 0.000 2.070 41 E HA -0.164 4.185 4.350 -0.001 0.000 0.197 41 E C 0.597 177.158 176.600 -0.066 0.000 1.004 41 E CA 2.026 58.383 56.400 -0.072 0.000 0.805 41 E CB -0.059 29.602 29.700 -0.064 0.000 0.744 41 E HN 0.650 9.010 8.360 -0.000 0.000 0.451 42 N N -0.093 118.558 118.700 -0.081 0.000 2.576 42 N HA 0.211 4.950 4.740 -0.001 0.000 0.269 42 N C -2.932 172.520 175.510 -0.097 0.000 1.058 42 N CA -2.421 50.592 53.050 -0.062 0.000 0.860 42 N CB 1.068 39.529 38.487 -0.043 0.000 1.249 42 N HN -0.263 8.117 8.380 -0.000 0.000 0.525 43 P HA 0.241 4.661 4.420 -0.000 0.000 0.269 43 P C -0.713 176.598 177.300 0.018 0.000 1.263 43 P CA 0.142 63.104 63.100 -0.230 0.000 0.813 43 P CB 0.340 31.946 31.700 -0.156 0.000 0.868 44 R N 2.449 122.947 120.500 -0.004 0.000 2.707 44 R HA 0.328 4.667 4.340 -0.001 0.000 0.272 44 R C -1.030 175.463 176.300 0.323 0.000 1.011 44 R CA -0.953 55.299 56.100 0.254 0.000 0.893 44 R CB 0.976 31.350 30.300 0.123 0.000 1.233 44 R HN 0.310 8.580 8.270 -0.000 0.000 0.464 45 Y N 2.033 122.585 120.300 0.420 0.000 2.402 45 Y HA 0.068 4.617 4.550 -0.001 0.000 0.333 45 Y C 0.663 176.726 175.900 0.272 0.000 1.076 45 Y CA 0.589 58.938 58.100 0.415 0.000 1.299 45 Y CB 0.747 39.441 38.460 0.390 0.000 1.197 45 Y HN 0.453 8.733 8.280 -0.000 0.000 0.517 46 E N 6.538 126.843 120.200 0.175 0.000 2.288 46 E HA 0.539 4.889 4.350 -0.001 0.000 0.268 46 E C -3.113 173.417 176.600 -0.117 0.000 0.885 46 E CA -2.772 53.547 56.400 -0.136 0.000 0.767 46 E CB 2.314 31.897 29.700 -0.196 0.000 1.220 46 E HN 0.203 8.563 8.360 -0.000 0.000 0.427 47 P HA 0.132 4.552 4.420 -0.000 0.000 0.275 47 P C -0.405 176.782 177.300 -0.188 0.000 1.228 47 P CA -0.498 62.505 63.100 -0.161 0.000 0.786 47 P CB 1.051 32.598 31.700 -0.254 0.000 0.927 48 R N 0.618 121.006 120.500 -0.186 0.000 2.509 48 R HA 0.422 4.761 4.340 -0.001 0.000 0.297 48 R C 0.257 176.437 176.300 -0.200 0.000 0.951 48 R CA -0.180 55.810 56.100 -0.183 0.000 1.103 48 R CB 0.649 30.841 30.300 -0.179 0.000 1.283 48 R HN 0.520 8.790 8.270 -0.000 0.000 0.534 49 A N 0.961 123.592 122.820 -0.316 0.000 2.356 49 A HA 0.496 4.816 4.320 -0.001 0.000 0.310 49 A C 0.835 178.117 177.584 -0.504 0.000 1.075 49 A CA -0.607 51.147 52.037 -0.472 0.000 0.746 49 A CB 2.063 20.525 19.000 -0.897 0.000 1.221 49 A HN 0.007 8.157 8.150 -0.000 0.000 0.443 50 R N 2.117 122.454 120.500 -0.271 0.000 2.103 50 R HA -0.159 4.180 4.340 -0.001 0.000 0.242 50 R C 1.692 177.959 176.300 -0.055 0.000 1.142 50 R CA 2.974 59.007 56.100 -0.113 0.000 0.960 50 R CB -0.361 29.942 30.300 0.005 0.000 0.858 50 R HN 0.947 9.217 8.270 -0.000 0.000 0.439 51 W N -1.211 120.126 121.300 0.063 0.000 2.538 51 W HA -0.092 4.568 4.660 -0.001 0.000 0.254 51 W C 0.705 177.294 176.519 0.117 0.000 1.249 51 W CA 0.133 57.522 57.345 0.073 0.000 1.253 51 W CB -0.744 28.749 29.460 0.054 0.000 1.130 51 W HN 0.046 8.226 8.180 -0.000 0.000 0.618 52 M N 2.199 121.686 119.600 -0.188 0.000 2.686 52 M HA -0.105 4.374 4.480 -0.001 0.000 0.246 52 M C 1.861 178.295 176.300 0.223 0.000 1.096 52 M CA 1.112 56.416 55.300 0.005 0.000 1.076 52 M CB -1.210 31.352 32.600 -0.063 0.000 1.504 52 M HN 0.326 8.616 8.290 -0.000 0.000 0.524 53 E N -0.570 119.722 120.200 0.154 0.000 2.478 53 E HA -0.171 4.178 4.350 -0.001 0.000 0.198 53 E C 1.262 177.977 176.600 0.191 0.000 1.046 53 E CA 0.636 57.134 56.400 0.164 0.000 0.870 53 E CB -0.279 29.475 29.700 0.089 0.000 0.818 53 E HN 0.573 8.933 8.360 -0.000 0.000 0.527 54 Q N 0.501 120.418 119.800 0.194 0.000 2.451 54 Q HA 0.034 4.374 4.340 -0.001 0.000 0.206 54 Q C -0.099 175.987 176.000 0.143 0.000 0.947 54 Q CA 0.386 56.287 55.803 0.164 0.000 0.937 54 Q CB 0.310 29.152 28.738 0.173 0.000 1.025 54 Q HN 0.252 8.522 8.270 -0.000 0.000 0.511 55 E N 0.856 121.141 120.200 0.141 0.000 2.227 55 E HA 0.264 4.613 4.350 -0.001 0.000 0.282 55 E C 0.128 176.841 176.600 0.189 0.000 1.015 55 E CA -0.147 56.264 56.400 0.018 0.000 0.823 55 E CB 1.306 30.702 29.700 -0.507 0.000 1.081 55 E HN 0.181 8.541 8.360 -0.000 0.000 0.396 56 G N 2.905 111.806 108.800 0.168 0.000 2.653 56 G HA2 0.129 4.089 3.960 -0.001 0.000 0.265 56 G HA3 0.129 4.089 3.960 -0.001 0.000 0.265 56 G C -1.590 173.500 174.900 0.317 0.000 1.237 56 G CA -0.886 44.349 45.100 0.223 0.000 0.946 56 G HN 0.285 8.575 8.290 -0.000 0.000 0.522 57 P HA -0.100 4.320 4.420 -0.000 0.000 0.216 57 P C 1.842 179.302 177.300 0.267 0.000 1.150 57 P CA 1.463 64.764 63.100 0.335 0.000 0.837 57 P CB 0.157 31.981 31.700 0.206 0.000 0.786 58 E N -0.535 119.773 120.200 0.179 0.000 2.153 58 E HA -0.246 4.103 4.350 -0.001 0.000 0.194 58 E C 1.989 178.629 176.600 0.067 0.000 0.988 58 E CA 1.377 57.846 56.400 0.115 0.000 0.811 58 E CB -1.583 28.176 29.700 0.098 0.000 0.746 58 E HN 0.352 8.712 8.360 -0.000 0.000 0.466 59 Y N 0.641 120.882 120.300 -0.098 0.000 2.133 59 Y HA -0.186 4.364 4.550 -0.001 0.000 0.287 59 Y C 2.019 177.687 175.900 -0.386 0.000 1.134 59 Y CA 2.119 60.026 58.100 -0.322 0.000 1.133 59 Y CB -0.608 37.538 38.460 -0.524 0.000 0.987 59 Y HN -0.032 8.248 8.280 -0.000 0.000 0.502 60 W N 0.495 121.922 121.300 0.212 0.000 2.363 60 W HA -0.137 4.522 4.660 -0.001 0.000 0.296 60 W C 2.409 178.934 176.519 0.010 0.000 1.212 60 W CA 1.237 58.650 57.345 0.113 0.000 1.260 60 W CB -0.463 29.108 29.460 0.186 0.000 1.131 60 W HN 0.138 8.318 8.180 -0.000 0.000 0.530 61 E N 0.893 121.199 120.200 0.176 0.000 2.072 61 E HA -0.148 4.202 4.350 -0.001 0.000 0.191 61 E C 2.061 178.650 176.600 -0.018 0.000 0.985 61 E CA 1.407 57.864 56.400 0.096 0.000 0.801 61 E CB -0.218 29.535 29.700 0.087 0.000 0.750 61 E HN 0.126 8.486 8.360 -0.000 0.000 0.452 62 R N 0.131 120.561 120.500 -0.118 0.000 2.070 62 R HA -0.097 4.243 4.340 -0.001 0.000 0.233 62 R C 2.244 178.366 176.300 -0.297 0.000 1.137 62 R CA 1.489 57.467 56.100 -0.203 0.000 0.945 62 R CB -0.244 29.902 30.300 -0.257 0.000 0.845 62 R HN 0.198 8.468 8.270 -0.000 0.000 0.430 63 E N -0.070 119.841 120.200 -0.482 0.000 2.110 63 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 63 E C 1.973 178.412 176.600 -0.268 0.000 0.988 63 E CA 1.449 57.470 56.400 -0.632 0.000 0.804 63 E CB -0.278 28.734 29.700 -1.146 0.000 0.745 63 E HN 0.319 8.679 8.360 -0.000 0.000 0.458 64 T N 1.681 116.226 114.554 -0.014 0.000 2.821 64 T HA -0.116 4.233 4.350 -0.001 0.000 0.267 64 T C 1.752 176.447 174.700 -0.009 0.000 1.046 64 T CA 0.945 63.131 62.100 0.144 0.000 1.139 64 T CB 0.011 69.022 68.868 0.239 0.000 0.871 64 T HN 0.042 8.282 8.240 -0.000 0.000 0.454 65 Q N 1.243 121.015 119.800 -0.048 0.000 2.079 65 Q HA 0.043 4.382 4.340 -0.001 0.000 0.200 65 Q C 2.300 178.230 176.000 -0.116 0.000 0.974 65 Q CA 1.228 56.992 55.803 -0.065 0.000 0.840 65 Q CB -0.258 28.446 28.738 -0.058 0.000 0.898 65 Q HN 0.513 8.783 8.270 -0.000 0.000 0.430 66 K N 0.424 120.727 120.400 -0.163 0.000 2.026 66 K HA -0.036 4.283 4.320 -0.001 0.000 0.208 66 K C 2.097 178.584 176.600 -0.187 0.000 1.048 66 K CA 1.143 57.322 56.287 -0.181 0.000 0.929 66 K CB -0.188 32.169 32.500 -0.238 0.000 0.713 66 K HN 0.136 8.386 8.250 -0.000 0.000 0.439 67 A N 2.161 124.841 122.820 -0.233 0.000 1.908 67 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 67 A C 1.942 179.249 177.584 -0.461 0.000 1.181 67 A CA 1.575 53.374 52.037 -0.396 0.000 0.627 67 A CB -0.314 18.154 19.000 -0.887 0.000 0.818 67 A HN 0.205 8.355 8.150 -0.000 0.000 0.445 68 K N -0.929 119.265 120.400 -0.343 0.000 2.148 68 K HA -0.079 4.240 4.320 -0.001 0.000 0.204 68 K C 2.106 178.621 176.600 -0.142 0.000 1.050 68 K CA 0.947 57.139 56.287 -0.158 0.000 0.942 68 K CB -0.361 32.123 32.500 -0.026 0.000 0.724 68 K HN 0.485 8.735 8.250 -0.000 0.000 0.446 69 G N 1.619 110.336 108.800 -0.138 0.000 2.402 69 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.216 69 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.216 69 G C 1.340 176.165 174.900 -0.125 0.000 1.162 69 G CA 0.543 45.577 45.100 -0.110 0.000 0.777 69 G HN 0.199 8.489 8.290 -0.000 0.000 0.539 70 N N 0.491 119.098 118.700 -0.155 0.000 2.188 70 N HA -0.074 4.666 4.740 -0.001 0.000 0.184 70 N C 1.999 177.303 175.510 -0.344 0.000 1.018 70 N CA 1.062 54.048 53.050 -0.106 0.000 0.858 70 N CB -0.316 38.168 38.487 -0.005 0.000 0.989 70 N HN 0.574 8.954 8.380 -0.000 0.000 0.426 71 E N 0.568 120.378 120.200 -0.651 0.000 2.058 71 E HA -0.201 4.149 4.350 -0.001 0.000 0.194 71 E C 1.453 177.918 176.600 -0.224 0.000 0.997 71 E CA 1.014 56.999 56.400 -0.691 0.000 0.801 71 E CB 0.192 29.719 29.700 -0.289 0.000 0.746 71 E HN 0.219 8.579 8.360 -0.000 0.000 0.450 72 Q N 0.216 119.938 119.800 -0.131 0.000 2.084 72 Q HA -0.123 4.217 4.340 -0.001 0.000 0.202 72 Q C 2.288 178.257 176.000 -0.051 0.000 0.978 72 Q CA 1.241 57.007 55.803 -0.062 0.000 0.844 72 Q CB -0.733 27.974 28.738 -0.053 0.000 0.898 72 Q HN 0.149 8.419 8.270 -0.000 0.000 0.426 73 S N -0.240 115.420 115.700 -0.066 0.000 2.368 73 S HA -0.095 4.375 4.470 -0.001 0.000 0.225 73 S C 1.643 176.157 174.600 -0.143 0.000 1.030 73 S CA 0.886 59.020 58.200 -0.110 0.000 0.999 73 S CB -0.171 62.945 63.200 -0.139 0.000 0.844 73 S HN 0.308 8.618 8.310 -0.000 0.000 0.459 74 F N 1.572 121.464 119.950 -0.098 0.000 2.325 74 F HA 0.170 4.696 4.527 -0.001 0.000 0.299 74 F C 2.433 178.231 175.800 -0.004 0.000 1.090 74 F CA 0.566 58.560 58.000 -0.011 0.000 1.392 74 F CB -0.208 38.829 39.000 0.062 0.000 1.053 74 F HN 0.071 8.371 8.300 -0.000 0.000 0.521 75 R N -0.177 120.393 120.500 0.116 0.000 2.081 75 R HA -0.127 4.212 4.340 -0.001 0.000 0.235 75 R C 2.165 178.480 176.300 0.024 0.000 1.131 75 R CA 1.582 57.727 56.100 0.075 0.000 0.960 75 R CB -0.859 29.465 30.300 0.039 0.000 0.856 75 R HN 0.166 8.436 8.270 -0.000 0.000 0.436 76 V N 1.531 121.432 119.914 -0.022 0.000 2.358 76 V HA -0.226 3.894 4.120 -0.001 0.000 0.246 76 V C 1.562 177.592 176.094 -0.108 0.000 1.047 76 V CA 1.876 64.138 62.300 -0.064 0.000 1.035 76 V CB -0.464 31.311 31.823 -0.080 0.000 0.658 76 V HN 0.240 8.430 8.190 -0.000 0.000 0.452 77 D N 0.247 120.570 120.400 -0.128 0.000 2.123 77 D HA -0.155 4.485 4.640 -0.001 0.000 0.196 77 D C 2.117 178.315 176.300 -0.171 0.000 0.992 77 D CA 1.254 55.138 54.000 -0.194 0.000 0.833 77 D CB -0.315 40.355 40.800 -0.216 0.000 0.954 77 D HN 0.340 8.710 8.370 -0.000 0.000 0.455 78 L N 0.191 121.393 121.223 -0.035 0.000 2.083 78 L HA -0.143 4.196 4.340 -0.001 0.000 0.209 78 L C 2.618 179.456 176.870 -0.053 0.000 1.083 78 L CA 1.000 55.848 54.840 0.013 0.000 0.752 78 L CB -0.253 41.880 42.059 0.124 0.000 0.899 78 L HN -0.012 8.218 8.230 -0.000 0.000 0.433 79 R N -0.341 120.118 120.500 -0.069 0.000 2.062 79 R HA -0.139 4.201 4.340 -0.001 0.000 0.231 79 R C 2.257 178.452 176.300 -0.174 0.000 1.136 79 R CA 1.957 58.008 56.100 -0.081 0.000 0.948 79 R CB -0.312 29.950 30.300 -0.062 0.000 0.845 79 R HN 0.236 8.506 8.270 -0.000 0.000 0.430 80 T N 2.021 116.416 114.554 -0.266 0.000 2.665 80 T HA -0.163 4.186 4.350 -0.001 0.000 0.268 80 T C 1.794 176.075 174.700 -0.699 0.000 1.035 80 T CA 1.566 63.384 62.100 -0.470 0.000 1.151 80 T CB -0.200 68.352 68.868 -0.527 0.000 0.862 80 T HN 0.211 8.451 8.240 -0.000 0.000 0.438 81 L N 0.323 121.185 121.223 -0.603 0.000 2.191 81 L HA -0.004 4.335 4.340 -0.001 0.000 0.212 81 L C 2.412 179.162 176.870 -0.200 0.000 1.103 81 L CA 0.760 55.269 54.840 -0.551 0.000 0.769 81 L CB -0.605 40.960 42.059 -0.824 0.000 0.908 81 L HN 0.283 8.513 8.230 -0.000 0.000 0.438 82 L N -0.555 120.572 121.223 -0.159 0.000 2.093 82 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 82 L C 2.637 179.507 176.870 0.001 0.000 1.085 82 L CA 1.285 56.102 54.840 -0.039 0.000 0.755 82 L CB -0.994 41.052 42.059 -0.022 0.000 0.904 82 L HN 0.308 8.538 8.230 -0.000 0.000 0.435 83 G N -0.923 107.836 108.800 -0.068 0.000 2.434 83 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.214 83 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.214 83 G C 1.330 176.280 174.900 0.083 0.000 1.202 83 G CA 0.332 45.429 45.100 -0.006 0.000 0.788 83 G HN 0.160 8.450 8.290 -0.000 0.000 0.539 84 Y N 0.140 120.357 120.300 -0.139 0.000 2.151 84 Y HA -0.121 4.429 4.550 -0.001 0.000 0.284 84 Y C 2.365 178.062 175.900 -0.339 0.000 1.166 84 Y CA 0.468 58.401 58.100 -0.278 0.000 1.163 84 Y CB -1.013 37.194 38.460 -0.421 0.000 0.974 84 Y HN 0.330 8.610 8.280 -0.000 0.000 0.511 85 Y N -0.698 119.673 120.300 0.119 0.000 2.466 85 Y HA 0.104 4.653 4.550 -0.001 0.000 0.272 85 Y C 0.985 176.922 175.900 0.062 0.000 1.169 85 Y CA 0.043 58.199 58.100 0.092 0.000 1.285 85 Y CB -0.472 38.059 38.460 0.118 0.000 1.078 85 Y HN 0.120 8.400 8.280 -0.000 0.000 0.523 86 N N 1.303 120.093 118.700 0.149 0.000 2.738 86 N HA -0.228 4.511 4.740 -0.001 0.000 0.249 86 N C -0.846 174.732 175.510 0.112 0.000 1.047 86 N CA 0.383 53.495 53.050 0.103 0.000 0.707 86 N CB -0.656 37.880 38.487 0.082 0.000 0.937 86 N HN 0.457 8.837 8.380 -0.000 0.000 0.545 87 Q N -0.263 119.606 119.800 0.116 0.000 2.215 87 Q HA 0.499 4.838 4.340 -0.001 0.000 0.256 87 Q C 0.126 176.184 176.000 0.096 0.000 0.972 87 Q CA -0.609 55.259 55.803 0.108 0.000 0.889 87 Q CB 1.282 30.070 28.738 0.083 0.000 1.281 87 Q HN 0.466 8.736 8.270 -0.000 0.000 0.456 88 S N 0.398 116.164 115.700 0.109 0.000 2.592 88 S HA 0.161 4.630 4.470 -0.001 0.000 0.271 88 S C 0.571 175.237 174.600 0.111 0.000 1.326 88 S CA -0.648 57.607 58.200 0.092 0.000 1.024 88 S CB 1.052 64.298 63.200 0.077 0.000 0.921 88 S HN 0.571 8.881 8.310 -0.000 0.000 0.527 89 K N 1.502 121.950 120.400 0.080 0.000 2.362 89 K HA -0.040 4.280 4.320 -0.001 0.000 0.200 89 K C 1.849 178.498 176.600 0.081 0.000 1.046 89 K CA 0.945 57.281 56.287 0.081 0.000 0.952 89 K CB -0.555 31.977 32.500 0.052 0.000 0.753 89 K HN 0.867 9.117 8.250 -0.000 0.000 0.466 90 G N 0.869 109.710 108.800 0.069 0.000 2.813 90 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.209 90 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.209 90 G C 0.524 175.440 174.900 0.026 0.000 1.150 90 G CA 0.058 45.185 45.100 0.044 0.000 0.785 90 G HN 0.268 8.558 8.290 -0.000 0.000 0.535 91 G N -0.340 108.486 108.800 0.043 0.000 2.437 91 G HA2 0.425 4.384 3.960 -0.001 0.000 0.319 91 G HA3 0.425 4.384 3.960 -0.001 0.000 0.319 91 G C -0.361 174.416 174.900 -0.206 0.000 1.158 91 G CA -0.141 44.909 45.100 -0.084 0.000 0.899 91 G HN 0.167 8.457 8.290 -0.000 0.000 0.502 92 S N 0.005 115.514 115.700 -0.318 0.000 2.537 92 S HA 0.511 4.980 4.470 -0.001 0.000 0.275 92 S C -0.474 173.783 174.600 -0.571 0.000 1.272 92 S CA -0.670 57.368 58.200 -0.269 0.000 1.050 92 S CB 0.215 63.323 63.200 -0.152 0.000 0.961 92 S HN 0.568 8.878 8.310 -0.000 0.000 0.496 93 H N 1.704 120.778 119.070 0.008 0.000 2.928 93 H HA 0.476 5.031 4.556 -0.001 0.000 0.371 93 H C -0.794 174.544 175.328 0.018 0.000 1.186 93 H CA -0.566 55.461 56.048 -0.034 0.000 1.134 93 H CB 1.937 31.734 29.762 0.058 0.000 1.824 93 H HN 0.557 8.837 8.280 -0.000 0.000 0.554 94 T N 2.507 117.112 114.554 0.086 0.000 2.848 94 T HA 0.494 4.844 4.350 -0.001 0.000 0.285 94 T C 0.328 175.158 174.700 0.216 0.000 0.995 94 T CA -0.592 61.578 62.100 0.117 0.000 0.970 94 T CB 1.129 70.019 68.868 0.037 0.000 0.976 94 T HN 0.293 8.533 8.240 -0.000 0.000 0.441 95 I N 2.936 123.673 120.570 0.278 0.000 2.406 95 I HA 0.394 4.563 4.170 -0.001 0.000 0.290 95 I C -0.129 176.139 176.117 0.251 0.000 0.999 95 I CA -0.715 60.796 61.300 0.352 0.000 1.124 95 I CB 1.829 40.108 38.000 0.466 0.000 1.289 95 I HN 0.438 8.648 8.210 -0.000 0.000 0.441 96 Q N 4.873 124.815 119.800 0.237 0.000 2.365 96 Q HA 0.759 5.099 4.340 -0.001 0.000 0.269 96 Q C -1.436 174.639 176.000 0.125 0.000 1.061 96 Q CA -0.795 55.101 55.803 0.154 0.000 0.816 96 Q CB 3.514 32.342 28.738 0.150 0.000 1.325 96 Q HN 0.397 8.667 8.270 -0.000 0.000 0.446 97 V N 2.742 122.673 119.914 0.029 0.000 2.841 97 V HA 0.563 4.682 4.120 -0.001 0.000 0.310 97 V C -0.844 175.233 176.094 -0.028 0.000 1.090 97 V CA -0.679 61.559 62.300 -0.102 0.000 0.930 97 V CB 2.087 33.735 31.823 -0.292 0.000 1.014 97 V HN 0.668 8.858 8.190 -0.000 0.000 0.425 98 I N 2.481 123.039 120.570 -0.019 0.000 2.447 98 I HA 0.603 4.772 4.170 -0.001 0.000 0.287 98 I C -0.308 175.853 176.117 0.073 0.000 1.023 98 I CA -0.174 61.087 61.300 -0.066 0.000 1.083 98 I CB 2.027 39.974 38.000 -0.087 0.000 1.245 98 I HN 0.606 8.816 8.210 -0.000 0.000 0.434 99 S N 3.253 119.005 115.700 0.086 0.000 2.536 99 S HA 0.967 5.437 4.470 -0.001 0.000 0.287 99 S C -0.392 174.275 174.600 0.110 0.000 1.101 99 S CA -0.402 57.888 58.200 0.148 0.000 0.950 99 S CB 2.147 65.438 63.200 0.152 0.000 1.056 99 S HN 0.977 9.287 8.310 -0.000 0.000 0.481 100 G N 0.706 109.423 108.800 -0.139 0.000 2.322 100 G HA2 0.493 4.452 3.960 -0.001 0.000 0.295 100 G HA3 0.493 4.452 3.960 -0.001 0.000 0.295 100 G C -1.080 173.436 174.900 -0.641 0.000 1.369 100 G CA 0.034 44.959 45.100 -0.292 0.000 0.821 100 G HN 1.478 9.768 8.290 -0.000 0.000 0.536 101 c N -1.423 116.963 118.600 -0.356 0.000 3.171 101 c HA 0.965 5.534 4.570 -0.001 0.000 0.308 101 c C -0.794 173.260 174.090 -0.060 0.000 1.334 101 c CA -1.084 55.098 56.329 -0.245 0.000 1.473 101 c CB 1.396 43.820 42.510 -0.142 0.000 1.866 101 c HN 0.974 9.204 8.230 -0.000 0.000 0.465 102 E N 0.637 120.847 120.200 0.016 0.000 2.292 102 E HA 0.628 4.977 4.350 -0.001 0.000 0.272 102 E C -0.956 175.676 176.600 0.053 0.000 0.881 102 E CA -0.682 55.766 56.400 0.080 0.000 0.754 102 E CB 2.499 32.281 29.700 0.137 0.000 1.201 102 E HN 0.892 9.252 8.360 -0.000 0.000 0.425 103 V N -0.808 119.143 119.914 0.061 0.000 2.815 103 V HA 0.861 4.980 4.120 -0.001 0.000 0.314 103 V C 0.491 176.604 176.094 0.032 0.000 1.064 103 V CA -0.642 61.684 62.300 0.043 0.000 0.952 103 V CB 1.508 33.359 31.823 0.048 0.000 1.020 103 V HN 0.721 8.911 8.190 -0.000 0.000 0.439 104 G N 1.553 110.362 108.800 0.014 0.000 2.553 104 G HA2 0.364 4.323 3.960 -0.001 0.000 0.278 104 G HA3 0.364 4.323 3.960 -0.001 0.000 0.278 104 G C 0.826 175.733 174.900 0.012 0.000 1.349 104 G CA 0.123 45.218 45.100 -0.007 0.000 1.037 104 G HN 1.007 9.297 8.290 -0.000 0.000 0.508 105 S N 0.257 115.955 115.700 -0.004 0.000 2.442 105 S HA -0.123 4.346 4.470 -0.001 0.000 0.236 105 S C 1.691 176.312 174.600 0.034 0.000 1.007 105 S CA 1.561 59.776 58.200 0.026 0.000 0.965 105 S CB -0.159 63.042 63.200 0.002 0.000 0.773 105 S HN 0.781 9.091 8.310 -0.000 0.000 0.504 106 D N 0.120 120.528 120.400 0.014 0.000 2.339 106 D HA 0.222 4.862 4.640 -0.001 0.000 0.217 106 D C 1.214 177.515 176.300 0.002 0.000 1.050 106 D CA 0.634 54.637 54.000 0.005 0.000 0.856 106 D CB -0.608 40.190 40.800 -0.004 0.000 0.922 106 D HN 0.359 8.729 8.370 -0.000 0.000 0.518 107 G N 0.438 109.247 108.800 0.015 0.000 2.159 107 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.256 107 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.256 107 G C 0.169 175.066 174.900 -0.006 0.000 0.977 107 G CA -0.114 44.989 45.100 0.005 0.000 0.652 107 G HN 0.454 8.744 8.290 -0.000 0.000 0.531 108 R N -0.618 119.880 120.500 -0.003 0.000 2.457 108 R HA 0.600 4.939 4.340 -0.001 0.000 0.284 108 R C 0.462 176.760 176.300 -0.003 0.000 1.024 108 R CA -0.941 55.154 56.100 -0.009 0.000 1.025 108 R CB 1.218 31.512 30.300 -0.010 0.000 1.063 108 R HN 0.233 8.503 8.270 -0.000 0.000 0.493 109 L N 3.081 124.299 121.223 -0.009 0.000 2.540 109 L HA -0.034 4.306 4.340 -0.001 0.000 0.276 109 L C 0.280 177.153 176.870 0.005 0.000 1.212 109 L CA 0.833 55.670 54.840 -0.005 0.000 0.893 109 L CB 0.345 42.394 42.059 -0.016 0.000 1.138 109 L HN 0.694 8.924 8.230 -0.000 0.000 0.491 110 L N 4.537 125.771 121.223 0.018 0.000 2.349 110 L HA 0.296 4.636 4.340 -0.001 0.000 0.200 110 L C 0.600 177.495 176.870 0.041 0.000 1.064 110 L CA 0.164 55.019 54.840 0.025 0.000 0.821 110 L CB -0.094 41.983 42.059 0.030 0.000 1.027 110 L HN 0.789 9.019 8.230 -0.000 0.000 0.476 111 R N -0.908 119.630 120.500 0.063 0.000 2.690 111 R HA 0.603 4.942 4.340 -0.001 0.000 0.269 111 R C -1.146 175.205 176.300 0.085 0.000 1.037 111 R CA -0.682 55.476 56.100 0.097 0.000 0.877 111 R CB 1.119 31.511 30.300 0.154 0.000 1.255 111 R HN -0.086 8.184 8.270 -0.000 0.000 0.467 112 G N 0.942 109.787 108.800 0.075 0.000 2.533 112 G HA2 0.748 4.707 3.960 -0.001 0.000 0.304 112 G HA3 0.748 4.707 3.960 -0.001 0.000 0.304 112 G C -1.690 173.264 174.900 0.090 0.000 1.263 112 G CA -0.902 44.163 45.100 -0.059 0.000 0.964 112 G HN 0.641 8.931 8.290 -0.000 0.000 0.479 113 Y N -1.885 118.467 120.300 0.088 0.000 2.656 113 Y HA 0.804 5.354 4.550 -0.001 0.000 0.334 113 Y C -0.788 175.198 175.900 0.144 0.000 1.179 113 Y CA -1.406 56.752 58.100 0.098 0.000 1.050 113 Y CB 1.867 40.374 38.460 0.077 0.000 1.308 113 Y HN 0.649 8.929 8.280 -0.000 0.000 0.456 114 Q N 1.472 121.500 119.800 0.380 0.000 2.364 114 Q HA 0.459 4.799 4.340 -0.001 0.000 0.251 114 Q C -2.210 174.041 176.000 0.419 0.000 0.927 114 Q CA -0.490 55.527 55.803 0.357 0.000 0.924 114 Q CB 2.172 31.135 28.738 0.375 0.000 1.419 114 Q HN 0.872 9.142 8.270 -0.000 0.000 0.427 115 Q N 2.318 122.321 119.800 0.339 0.000 2.305 115 Q HA 0.467 4.806 4.340 -0.001 0.000 0.271 115 Q C -1.709 174.491 176.000 0.333 0.000 1.046 115 Q CA -0.585 55.443 55.803 0.375 0.000 0.798 115 Q CB 2.313 31.208 28.738 0.262 0.000 1.286 115 Q HN 0.515 8.785 8.270 -0.000 0.000 0.435 116 Y N 0.299 120.810 120.300 0.352 0.000 2.487 116 Y HA 0.829 5.378 4.550 -0.001 0.000 0.337 116 Y C -0.127 175.974 175.900 0.336 0.000 1.076 116 Y CA -0.670 57.643 58.100 0.354 0.000 1.115 116 Y CB 2.136 40.844 38.460 0.414 0.000 1.235 116 Y HN 0.679 8.959 8.280 -0.000 0.000 0.468 117 A N 1.671 124.767 122.820 0.460 0.000 2.515 117 A HA 0.671 4.990 4.320 -0.001 0.000 0.298 117 A C -2.515 175.288 177.584 0.365 0.000 1.059 117 A CA -0.637 51.623 52.037 0.373 0.000 0.698 117 A CB 1.265 20.417 19.000 0.254 0.000 1.289 117 A HN 0.595 8.745 8.150 -0.000 0.000 0.404 118 Y N 1.276 121.669 120.300 0.154 0.000 2.338 118 Y HA 0.456 5.005 4.550 -0.001 0.000 0.333 118 Y C -0.260 175.661 175.900 0.035 0.000 0.968 118 Y CA -1.033 57.096 58.100 0.047 0.000 1.123 118 Y CB 1.196 39.629 38.460 -0.045 0.000 1.165 118 Y HN 0.884 9.164 8.280 -0.000 0.000 0.452 119 D N 4.401 124.578 120.400 -0.372 0.000 2.751 119 D HA -0.185 4.454 4.640 -0.001 0.000 0.233 119 D C 1.176 177.409 176.300 -0.113 0.000 1.149 119 D CA 2.009 55.821 54.000 -0.313 0.000 0.682 119 D CB -1.184 39.318 40.800 -0.496 0.000 1.068 119 D HN 1.288 9.658 8.370 -0.000 0.000 0.429 120 G N -2.053 106.737 108.800 -0.017 0.000 2.176 120 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.253 120 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.253 120 G C 0.445 175.380 174.900 0.058 0.000 0.979 120 G CA 0.351 45.467 45.100 0.026 0.000 0.641 120 G HN 0.611 8.901 8.290 -0.000 0.000 0.530 121 C N 0.975 120.326 119.300 0.085 0.000 2.561 121 C HA 0.629 5.089 4.460 -0.001 0.000 0.319 121 C C 0.212 175.324 174.990 0.203 0.000 1.198 121 C CA -1.123 57.968 59.018 0.122 0.000 1.665 121 C CB 1.406 29.207 27.740 0.102 0.000 2.258 121 C HN 0.467 8.697 8.230 -0.000 0.000 0.493 122 D N 0.425 120.939 120.400 0.189 0.000 2.478 122 D HA 0.074 4.713 4.640 -0.001 0.000 0.234 122 D C -0.069 176.414 176.300 0.306 0.000 1.154 122 D CA 0.511 54.650 54.000 0.231 0.000 0.874 122 D CB 0.469 41.368 40.800 0.165 0.000 1.198 122 D HN 0.694 9.064 8.370 -0.000 0.000 0.455 123 Y N 1.315 121.737 120.300 0.204 0.000 3.105 123 Y HA 0.425 4.974 4.550 -0.001 0.000 0.216 123 Y C -0.146 175.821 175.900 0.112 0.000 0.943 123 Y CA -0.096 58.111 58.100 0.179 0.000 1.535 123 Y CB 0.633 39.225 38.460 0.220 0.000 1.475 123 Y HN 0.414 8.694 8.280 -0.000 0.000 0.435 124 I N 0.789 121.500 120.570 0.235 0.000 2.827 124 I HA 0.678 4.848 4.170 -0.001 0.000 0.298 124 I C -1.821 174.545 176.117 0.415 0.000 1.235 124 I CA -0.965 60.420 61.300 0.141 0.000 1.021 124 I CB 2.112 40.045 38.000 -0.113 0.000 1.259 124 I HN 0.218 8.428 8.210 -0.000 0.000 0.427 125 A N 5.876 128.955 122.820 0.432 0.000 2.515 125 A HA 0.679 4.998 4.320 -0.001 0.000 0.298 125 A C -1.826 176.059 177.584 0.501 0.000 1.059 125 A CA -0.528 51.795 52.037 0.476 0.000 0.698 125 A CB 1.705 20.887 19.000 0.302 0.000 1.289 125 A HN 0.642 8.792 8.150 -0.000 0.000 0.404 126 L N 1.763 123.236 121.223 0.417 0.000 2.380 126 L HA 0.351 4.690 4.340 -0.001 0.000 0.273 126 L C -0.005 176.880 176.870 0.026 0.000 1.138 126 L CA -0.071 54.787 54.840 0.031 0.000 0.832 126 L CB 0.324 42.332 42.059 -0.085 0.000 1.124 126 L HN 0.706 8.936 8.230 -0.000 0.000 0.454 127 N N 2.611 121.267 118.700 -0.073 0.000 2.445 127 N HA 0.048 4.788 4.740 -0.001 0.000 0.264 127 N C 0.679 176.175 175.510 -0.024 0.000 1.227 127 N CA -0.337 52.701 53.050 -0.020 0.000 0.963 127 N CB 0.913 39.382 38.487 -0.030 0.000 1.188 127 N HN 0.568 8.948 8.380 -0.000 0.000 0.491 128 E N 0.218 120.422 120.200 0.006 0.000 2.219 128 E HA -0.205 4.144 4.350 -0.001 0.000 0.198 128 E C 0.888 177.483 176.600 -0.008 0.000 0.998 128 E CA 1.155 57.564 56.400 0.014 0.000 0.818 128 E CB -0.094 29.617 29.700 0.017 0.000 0.741 128 E HN 0.581 8.941 8.360 -0.000 0.000 0.477 129 D N 0.687 121.069 120.400 -0.030 0.000 2.363 129 D HA -0.149 4.491 4.640 -0.001 0.000 0.220 129 D C 0.760 177.022 176.300 -0.063 0.000 0.994 129 D CA 0.204 54.180 54.000 -0.039 0.000 0.890 129 D CB -0.161 40.615 40.800 -0.040 0.000 0.906 129 D HN 0.263 8.633 8.370 -0.000 0.000 0.530 130 L N -1.375 119.793 121.223 -0.092 0.000 4.179 130 L HA -0.292 4.047 4.340 -0.001 0.000 0.418 130 L C 1.040 177.803 176.870 -0.178 0.000 1.168 130 L CA 0.948 55.711 54.840 -0.129 0.000 0.972 130 L CB -1.638 40.382 42.059 -0.065 0.000 2.005 130 L HN 0.174 8.404 8.230 -0.000 0.000 0.935 131 K N -1.129 119.152 120.400 -0.198 0.000 2.511 131 K HA 0.174 4.493 4.320 -0.001 0.000 0.209 131 K C 0.784 177.230 176.600 -0.256 0.000 1.301 131 K CA 0.907 57.087 56.287 -0.179 0.000 0.967 131 K CB 1.164 33.615 32.500 -0.083 0.000 1.109 131 K HN 0.472 8.722 8.250 -0.000 0.000 0.561 132 T N -1.866 112.501 114.554 -0.312 0.000 2.916 132 T HA 0.556 4.905 4.350 -0.001 0.000 0.292 132 T C -1.081 173.375 174.700 -0.407 0.000 1.055 132 T CA -0.880 61.054 62.100 -0.276 0.000 1.009 132 T CB 1.262 70.094 68.868 -0.061 0.000 1.118 132 T HN 0.075 8.315 8.240 -0.000 0.000 0.497 133 W N 0.088 121.452 121.300 0.108 0.000 2.647 133 W HA 0.659 5.319 4.660 -0.001 0.000 0.353 133 W C 0.146 176.698 176.519 0.055 0.000 1.080 133 W CA -0.776 56.639 57.345 0.116 0.000 1.208 133 W CB 1.838 31.387 29.460 0.149 0.000 1.396 133 W HN 0.765 8.945 8.180 -0.000 0.000 0.573 134 T N 1.108 115.837 114.554 0.292 0.000 2.890 134 T HA 0.662 5.011 4.350 -0.001 0.000 0.295 134 T C -0.893 173.857 174.700 0.083 0.000 0.993 134 T CA -0.465 61.720 62.100 0.142 0.000 0.979 134 T CB 0.120 69.052 68.868 0.107 0.000 0.967 134 T HN 0.568 8.808 8.240 -0.000 0.000 0.441 135 A N 3.287 126.093 122.820 -0.022 0.000 2.309 135 A HA 0.768 5.088 4.320 -0.001 0.000 0.298 135 A C 1.348 178.867 177.584 -0.108 0.000 1.165 135 A CA -0.097 51.850 52.037 -0.151 0.000 0.821 135 A CB 0.577 19.413 19.000 -0.274 0.000 1.102 135 A HN 1.139 9.289 8.150 -0.000 0.000 0.500 136 A N 1.729 124.479 122.820 -0.116 0.000 2.123 136 A HA 0.372 4.691 4.320 -0.001 0.000 0.214 136 A C 0.523 178.084 177.584 -0.038 0.000 1.152 136 A CA 1.447 53.465 52.037 -0.032 0.000 0.728 136 A CB -0.336 18.688 19.000 0.039 0.000 0.814 136 A HN 0.959 9.109 8.150 -0.000 0.000 0.464 137 D N -4.220 116.112 120.400 -0.113 0.000 2.768 137 D HA 0.300 4.939 4.640 -0.001 0.000 0.327 137 D C 0.473 176.666 176.300 -0.178 0.000 1.302 137 D CA -0.658 53.293 54.000 -0.081 0.000 0.897 137 D CB -0.135 40.687 40.800 0.037 0.000 1.420 137 D HN -0.108 8.262 8.370 -0.000 0.000 0.494 138 M N -0.031 119.478 119.600 -0.151 0.000 2.229 138 M HA 0.003 4.482 4.480 -0.001 0.000 0.264 138 M C 1.935 178.032 176.300 -0.339 0.000 1.063 138 M CA 1.838 57.010 55.300 -0.213 0.000 1.114 138 M CB -0.364 32.144 32.600 -0.153 0.000 1.387 138 M HN 0.610 8.900 8.290 -0.000 0.000 0.420 139 A N 0.565 123.159 122.820 -0.377 0.000 1.877 139 A HA -0.052 4.267 4.320 -0.001 0.000 0.216 139 A C 2.357 179.627 177.584 -0.523 0.000 1.186 139 A CA 1.869 53.595 52.037 -0.518 0.000 0.620 139 A CB -0.968 17.631 19.000 -0.668 0.000 0.822 139 A HN 0.480 8.630 8.150 -0.000 0.000 0.443 140 A N -1.002 121.441 122.820 -0.628 0.000 2.070 140 A HA -0.018 4.302 4.320 -0.001 0.000 0.220 140 A C 1.991 179.148 177.584 -0.710 0.000 1.159 140 A CA 1.606 53.026 52.037 -1.029 0.000 0.656 140 A CB -0.478 17.786 19.000 -1.227 0.000 0.800 140 A HN 0.482 8.632 8.150 -0.000 0.000 0.453 141 L N -0.127 120.749 121.223 -0.577 0.000 2.201 141 L HA -0.050 4.289 4.340 -0.001 0.000 0.212 141 L C 2.134 178.535 176.870 -0.782 0.000 1.105 141 L CA 1.320 55.791 54.840 -0.615 0.000 0.775 141 L CB -0.458 41.345 42.059 -0.427 0.000 0.913 141 L HN 0.464 8.694 8.230 -0.000 0.000 0.440 142 I N -1.682 118.500 120.570 -0.647 0.000 2.202 142 I HA -0.260 3.910 4.170 -0.001 0.000 0.242 142 I C 2.121 177.929 176.117 -0.514 0.000 1.091 142 I CA 1.447 62.400 61.300 -0.579 0.000 1.368 142 I CB -0.750 36.713 38.000 -0.895 0.000 1.058 142 I HN 0.169 8.379 8.210 -0.000 0.000 0.410 143 T N 0.673 114.880 114.554 -0.579 0.000 2.746 143 T HA -0.215 4.134 4.350 -0.001 0.000 0.267 143 T C 1.916 176.066 174.700 -0.916 0.000 1.039 143 T CA 1.372 63.029 62.100 -0.738 0.000 1.142 143 T CB -0.207 68.168 68.868 -0.821 0.000 0.866 143 T HN 0.276 8.516 8.240 -0.000 0.000 0.444 144 K N 0.194 120.128 120.400 -0.778 0.000 2.020 144 K HA -0.240 4.080 4.320 -0.001 0.000 0.212 144 K C 2.256 178.705 176.600 -0.252 0.000 1.050 144 K CA 1.675 57.633 56.287 -0.548 0.000 0.929 144 K CB -0.163 32.062 32.500 -0.457 0.000 0.714 144 K HN 0.404 8.654 8.250 -0.000 0.000 0.443 145 H N 0.644 119.596 119.070 -0.197 0.000 2.321 145 H HA -0.068 4.487 4.556 -0.001 0.000 0.300 145 H C 2.048 177.336 175.328 -0.066 0.000 1.087 145 H CA 1.383 57.370 56.048 -0.101 0.000 1.319 145 H CB -0.184 29.508 29.762 -0.117 0.000 1.379 145 H HN 0.251 8.531 8.280 -0.000 0.000 0.501 146 K N -0.206 120.186 120.400 -0.012 0.000 2.032 146 K HA -0.185 4.135 4.320 -0.001 0.000 0.209 146 K C 2.196 178.895 176.600 0.165 0.000 1.048 146 K CA 1.417 57.721 56.287 0.029 0.000 0.927 146 K CB -0.134 32.342 32.500 -0.040 0.000 0.712 146 K HN 0.254 8.504 8.250 -0.000 0.000 0.441 147 W N 1.675 122.881 121.300 -0.157 0.000 2.388 147 W HA -0.086 4.573 4.660 -0.001 0.000 0.294 147 W C 1.837 178.358 176.519 0.004 0.000 1.212 147 W CA 0.669 57.905 57.345 -0.181 0.000 1.271 147 W CB -0.728 28.399 29.460 -0.555 0.000 1.126 147 W HN 0.232 8.412 8.180 -0.000 0.000 0.535 148 E N -0.318 120.050 120.200 0.281 0.000 2.072 148 E HA -0.212 4.138 4.350 -0.001 0.000 0.191 148 E C 2.058 178.767 176.600 0.181 0.000 0.985 148 E CA 1.159 57.724 56.400 0.274 0.000 0.801 148 E CB -0.369 29.484 29.700 0.256 0.000 0.750 148 E HN 0.362 8.722 8.360 -0.000 0.000 0.452 149 Q N -0.299 119.585 119.800 0.139 0.000 2.224 149 Q HA -0.052 4.287 4.340 -0.001 0.000 0.203 149 Q C 1.925 177.976 176.000 0.086 0.000 0.970 149 Q CA 1.039 56.898 55.803 0.092 0.000 0.865 149 Q CB 0.089 28.865 28.738 0.063 0.000 0.922 149 Q HN 0.189 8.459 8.270 -0.000 0.000 0.445 150 A N -0.214 122.670 122.820 0.106 0.000 2.178 150 A HA 0.250 4.570 4.320 -0.001 0.000 0.211 150 A C 1.386 179.013 177.584 0.071 0.000 1.157 150 A CA 0.799 52.882 52.037 0.076 0.000 0.780 150 A CB -0.105 18.937 19.000 0.070 0.000 0.828 150 A HN 0.416 8.566 8.150 -0.000 0.000 0.476 151 G N 0.055 108.921 108.800 0.110 0.000 2.198 151 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.257 151 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.257 151 G C 0.555 175.520 174.900 0.108 0.000 1.042 151 G CA 0.961 46.128 45.100 0.111 0.000 0.791 151 G HN 0.562 8.852 8.290 -0.000 0.000 0.502 152 E N 0.448 120.722 120.200 0.124 0.000 2.077 152 E HA 0.103 4.453 4.350 -0.001 0.000 0.193 152 E C 2.716 179.445 176.600 0.215 0.000 0.989 152 E CA 2.349 58.778 56.400 0.048 0.000 0.800 152 E CB -0.634 28.914 29.700 -0.253 0.000 0.746 152 E HN 1.063 9.423 8.360 -0.000 0.000 0.452 153 A N 0.628 123.706 122.820 0.429 0.000 1.978 153 A HA -0.263 4.056 4.320 -0.001 0.000 0.220 153 A C 2.203 179.835 177.584 0.079 0.000 1.170 153 A CA 1.930 54.111 52.037 0.241 0.000 0.636 153 A CB -0.723 18.302 19.000 0.041 0.000 0.810 153 A HN 0.483 8.633 8.150 -0.000 0.000 0.448 154 E N -0.520 119.732 120.200 0.086 0.000 2.107 154 E HA -0.181 4.169 4.350 -0.001 0.000 0.191 154 E C 2.250 178.880 176.600 0.050 0.000 0.982 154 E CA 0.977 57.407 56.400 0.050 0.000 0.809 154 E CB -0.136 29.593 29.700 0.048 0.000 0.756 154 E HN 0.606 8.966 8.360 -0.000 0.000 0.459 155 R N 0.128 120.659 120.500 0.053 0.000 2.075 155 R HA -0.134 4.206 4.340 -0.001 0.000 0.232 155 R C 2.455 178.794 176.300 0.066 0.000 1.126 155 R CA 1.221 57.345 56.100 0.040 0.000 0.963 155 R CB -0.261 30.041 30.300 0.003 0.000 0.858 155 R HN 0.271 8.541 8.270 -0.000 0.000 0.435 156 L N 1.227 122.497 121.223 0.078 0.000 2.056 156 L HA -0.107 4.233 4.340 -0.001 0.000 0.207 156 L C 2.431 179.384 176.870 0.137 0.000 1.078 156 L CA 1.730 56.643 54.840 0.122 0.000 0.749 156 L CB -0.505 41.644 42.059 0.151 0.000 0.901 156 L HN 0.100 8.330 8.230 -0.000 0.000 0.433 157 R N -0.663 119.878 120.500 0.069 0.000 2.096 157 R HA -0.153 4.187 4.340 -0.001 0.000 0.235 157 R C 2.178 178.507 176.300 0.047 0.000 1.127 157 R CA 1.296 57.418 56.100 0.036 0.000 0.968 157 R CB -0.346 29.955 30.300 0.002 0.000 0.861 157 R HN 0.523 8.793 8.270 -0.000 0.000 0.440 158 A N 0.026 122.885 122.820 0.065 0.000 1.908 158 A HA -0.237 4.083 4.320 -0.001 0.000 0.218 158 A C 1.987 179.622 177.584 0.084 0.000 1.181 158 A CA 1.469 53.543 52.037 0.062 0.000 0.627 158 A CB -0.855 18.183 19.000 0.065 0.000 0.818 158 A HN 0.627 8.777 8.150 -0.000 0.000 0.445 159 Y N 0.555 120.860 120.300 0.007 0.000 2.133 159 Y HA -0.128 4.422 4.550 -0.001 0.000 0.287 159 Y C 1.942 177.855 175.900 0.022 0.000 1.134 159 Y CA 1.848 59.956 58.100 0.013 0.000 1.133 159 Y CB -0.411 38.049 38.460 -0.001 0.000 0.987 159 Y HN 0.193 8.473 8.280 -0.000 0.000 0.502 160 L N 0.166 121.339 121.223 -0.083 0.000 2.042 160 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 160 L C 2.222 178.994 176.870 -0.163 0.000 1.076 160 L CA 1.943 56.675 54.840 -0.179 0.000 0.749 160 L CB -0.539 41.507 42.059 -0.021 0.000 0.893 160 L HN 0.317 8.547 8.230 -0.000 0.000 0.432 161 E N -0.605 119.542 120.200 -0.088 0.000 2.318 161 E HA -0.006 4.344 4.350 -0.001 0.000 0.193 161 E C 1.750 178.309 176.600 -0.068 0.000 0.998 161 E CA 0.561 56.922 56.400 -0.064 0.000 0.859 161 E CB 0.191 29.872 29.700 -0.032 0.000 0.812 161 E HN 0.545 8.905 8.360 -0.000 0.000 0.492 162 G N 0.639 109.393 108.800 -0.077 0.000 2.529 162 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.220 162 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.220 162 G C 1.363 176.232 174.900 -0.052 0.000 1.976 162 G CA 0.438 45.511 45.100 -0.046 0.000 0.789 162 G HN 0.022 8.312 8.290 -0.000 0.000 0.695 163 T N 0.590 115.133 114.554 -0.018 0.000 2.620 163 T HA -0.312 4.038 4.350 -0.001 0.000 0.267 163 T C 2.283 176.988 174.700 0.008 0.000 1.044 163 T CA 1.778 63.933 62.100 0.092 0.000 1.161 163 T CB -0.846 68.100 68.868 0.129 0.000 0.862 163 T HN 0.364 8.604 8.240 -0.000 0.000 0.438 164 c N 0.892 119.246 118.600 -0.411 0.000 2.413 164 c HA -0.078 4.491 4.570 -0.001 0.000 0.276 164 c C 2.825 176.870 174.090 -0.075 0.000 1.236 164 c CA 0.858 56.986 56.329 -0.336 0.000 1.735 164 c CB -1.285 40.862 42.510 -0.605 0.000 2.031 164 c HN 0.427 8.657 8.230 -0.000 0.000 0.474 165 V N 0.690 120.545 119.914 -0.099 0.000 2.270 165 V HA -0.198 3.921 4.120 -0.001 0.000 0.245 165 V C 2.405 178.462 176.094 -0.063 0.000 1.043 165 V CA 2.440 64.705 62.300 -0.059 0.000 1.014 165 V CB -0.825 30.959 31.823 -0.064 0.000 0.645 165 V HN 0.596 8.786 8.190 -0.000 0.000 0.447 166 E N -1.177 118.977 120.200 -0.076 0.000 2.077 166 E HA -0.263 4.086 4.350 -0.001 0.000 0.193 166 E C 2.035 178.452 176.600 -0.305 0.000 0.989 166 E CA 1.804 58.100 56.400 -0.175 0.000 0.800 166 E CB -0.233 29.361 29.700 -0.177 0.000 0.746 166 E HN 0.715 9.075 8.360 -0.000 0.000 0.452 167 W N 0.654 121.822 121.300 -0.220 0.000 2.436 167 W HA -0.057 4.602 4.660 -0.001 0.000 0.284 167 W C 2.129 178.288 176.519 -0.599 0.000 1.225 167 W CA 0.145 57.229 57.345 -0.436 0.000 1.271 167 W CB -0.323 28.956 29.460 -0.302 0.000 1.114 167 W HN 0.119 8.299 8.180 -0.000 0.000 0.559 168 L N 1.189 122.381 121.223 -0.051 0.000 2.017 168 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 168 L C 2.250 179.071 176.870 -0.082 0.000 1.073 168 L CA 1.914 56.772 54.840 0.030 0.000 0.745 168 L CB -0.904 41.199 42.059 0.073 0.000 0.894 168 L HN -0.072 8.158 8.230 -0.000 0.000 0.432 169 R N -0.723 119.696 120.500 -0.134 0.000 2.091 169 R HA -0.182 4.157 4.340 -0.001 0.000 0.238 169 R C 2.484 178.661 176.300 -0.204 0.000 1.136 169 R CA 1.727 57.735 56.100 -0.152 0.000 0.959 169 R CB -0.483 29.727 30.300 -0.151 0.000 0.856 169 R HN 0.414 8.684 8.270 -0.000 0.000 0.437 170 R N 0.085 120.398 120.500 -0.312 0.000 2.073 170 R HA -0.185 4.155 4.340 -0.001 0.000 0.234 170 R C 1.787 177.990 176.300 -0.160 0.000 1.134 170 R CA 1.634 57.536 56.100 -0.329 0.000 0.952 170 R CB -0.233 29.713 30.300 -0.589 0.000 0.850 170 R HN 0.201 8.471 8.270 -0.000 0.000 0.433 171 Y N 0.904 121.180 120.300 -0.041 0.000 2.181 171 Y HA -0.138 4.411 4.550 -0.001 0.000 0.288 171 Y C 2.194 177.862 175.900 -0.387 0.000 1.146 171 Y CA 0.817 58.865 58.100 -0.087 0.000 1.164 171 Y CB -0.637 37.792 38.460 -0.052 0.000 0.982 171 Y HN 0.050 8.329 8.280 -0.000 0.000 0.515 172 L N -0.114 121.000 121.223 -0.181 0.000 2.083 172 L HA -0.240 4.100 4.340 -0.001 0.000 0.209 172 L C 2.550 179.249 176.870 -0.284 0.000 1.083 172 L CA 1.603 56.254 54.840 -0.315 0.000 0.752 172 L CB -0.415 41.464 42.059 -0.301 0.000 0.899 172 L HN 0.172 8.402 8.230 -0.000 0.000 0.433 173 K N 0.150 120.431 120.400 -0.198 0.000 1.991 173 K HA -0.148 4.172 4.320 -0.001 0.000 0.207 173 K C 1.933 178.451 176.600 -0.136 0.000 1.045 173 K CA 1.495 57.691 56.287 -0.151 0.000 0.937 173 K CB 0.033 32.459 32.500 -0.123 0.000 0.720 173 K HN 0.201 8.451 8.250 -0.000 0.000 0.438 174 N N 0.046 118.693 118.700 -0.089 0.000 2.205 174 N HA -0.105 4.635 4.740 -0.001 0.000 0.186 174 N C 1.373 176.837 175.510 -0.077 0.000 1.015 174 N CA 1.473 54.522 53.050 -0.002 0.000 0.862 174 N CB -0.280 38.301 38.487 0.156 0.000 0.986 174 N HN 0.394 8.774 8.380 -0.000 0.000 0.429 175 G N 0.627 109.175 108.800 -0.420 0.000 3.502 175 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.267 175 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.267 175 G C 1.143 175.670 174.900 -0.621 0.000 1.090 175 G CA -0.196 44.378 45.100 -0.876 0.000 0.795 175 G HN 0.313 8.603 8.290 -0.000 0.000 0.535 176 N N 1.912 120.402 118.700 -0.350 0.000 2.132 176 N HA -0.214 4.525 4.740 -0.001 0.000 0.191 176 N C 2.068 177.482 175.510 -0.161 0.000 1.015 176 N CA 1.713 54.622 53.050 -0.235 0.000 0.864 176 N CB -0.601 37.797 38.487 -0.149 0.000 1.006 176 N HN 0.205 8.585 8.380 -0.000 0.000 0.430 177 A N -0.259 122.486 122.820 -0.126 0.000 2.015 177 A HA -0.038 4.281 4.320 -0.001 0.000 0.219 177 A C 2.263 179.810 177.584 -0.061 0.000 1.163 177 A CA 1.834 53.835 52.037 -0.060 0.000 0.646 177 A CB -0.735 18.252 19.000 -0.021 0.000 0.806 177 A HN 0.491 8.641 8.150 -0.000 0.000 0.448 178 T N -0.329 114.150 114.554 -0.125 0.000 2.925 178 T HA 0.135 4.484 4.350 -0.001 0.000 0.245 178 T C 1.781 176.400 174.700 -0.134 0.000 1.025 178 T CA 0.944 62.981 62.100 -0.104 0.000 1.149 178 T CB -0.250 68.612 68.868 -0.011 0.000 0.866 178 T HN 0.311 8.551 8.240 -0.000 0.000 0.437 179 L N 0.838 121.942 121.223 -0.199 0.000 2.156 179 L HA 0.147 4.486 4.340 -0.001 0.000 0.208 179 L C 1.703 178.626 176.870 0.088 0.000 1.095 179 L CA 0.996 55.799 54.840 -0.061 0.000 0.770 179 L CB -0.396 41.502 42.059 -0.267 0.000 0.914 179 L HN 0.209 8.439 8.230 -0.000 0.000 0.439 180 L N 0.192 121.418 121.223 0.005 0.000 2.685 180 L HA 0.146 4.486 4.340 -0.001 0.000 0.233 180 L C 1.153 178.096 176.870 0.121 0.000 1.173 180 L CA -0.269 54.614 54.840 0.071 0.000 0.961 180 L CB -0.475 41.582 42.059 -0.003 0.000 1.217 180 L HN 0.302 8.532 8.230 -0.000 0.000 0.478 181 R N -0.466 120.127 120.500 0.155 0.000 2.580 181 R HA 0.483 4.822 4.340 -0.001 0.000 0.267 181 R C -0.739 175.734 176.300 0.289 0.000 1.125 181 R CA -0.306 55.895 56.100 0.168 0.000 1.188 181 R CB 0.712 31.078 30.300 0.110 0.000 1.155 181 R HN -0.194 8.076 8.270 -0.000 0.000 0.586 182 T N 0.987 115.694 114.554 0.255 0.000 3.031 182 T HA 0.200 4.550 4.350 -0.001 0.000 0.305 182 T C -1.714 173.167 174.700 0.302 0.000 0.985 182 T CA -0.759 61.525 62.100 0.306 0.000 1.008 182 T CB 1.282 70.272 68.868 0.203 0.000 1.005 182 T HN 0.506 8.746 8.240 -0.000 0.000 0.444 183 D N 2.338 122.975 120.400 0.395 0.000 2.280 183 D HA 0.365 5.004 4.640 -0.001 0.000 0.236 183 D C -0.088 176.390 176.300 0.297 0.000 1.082 183 D CA -0.270 53.911 54.000 0.303 0.000 0.834 183 D CB 1.517 42.495 40.800 0.296 0.000 1.100 183 D HN 0.317 8.687 8.370 -0.000 0.000 0.486 184 S N 3.607 119.433 115.700 0.209 0.000 2.528 184 S HA 0.282 4.752 4.470 -0.001 0.000 0.277 184 S C -2.016 172.648 174.600 0.105 0.000 1.297 184 S CA -1.003 57.290 58.200 0.154 0.000 1.052 184 S CB 0.805 64.081 63.200 0.127 0.000 0.917 184 S HN 0.359 8.669 8.310 -0.000 0.000 0.492 185 P HA 0.225 4.645 4.420 -0.000 0.000 0.274 185 P C -0.999 176.364 177.300 0.106 0.000 1.231 185 P CA -0.451 62.716 63.100 0.113 0.000 0.790 185 P CB 0.620 32.288 31.700 -0.053 0.000 0.951 186 K N 1.162 121.657 120.400 0.159 0.000 2.274 186 K HA 0.664 4.983 4.320 -0.001 0.000 0.262 186 K C -0.387 176.328 176.600 0.191 0.000 0.961 186 K CA -0.644 55.727 56.287 0.141 0.000 0.833 186 K CB 2.030 34.610 32.500 0.134 0.000 1.102 186 K HN 0.512 8.762 8.250 -0.000 0.000 0.436 187 A N 2.974 125.889 122.820 0.158 0.000 2.354 187 A HA 0.696 5.015 4.320 -0.001 0.000 0.321 187 A C -1.013 176.721 177.584 0.251 0.000 1.125 187 A CA -0.581 51.560 52.037 0.173 0.000 0.799 187 A CB 0.928 19.963 19.000 0.058 0.000 1.293 187 A HN 0.956 9.106 8.150 -0.000 0.000 0.452 188 H N -1.623 117.557 119.070 0.184 0.000 3.037 188 H HA 0.629 5.184 4.556 -0.001 0.000 0.336 188 H C -2.280 173.226 175.328 0.297 0.000 1.323 188 H CA -0.748 55.412 56.048 0.186 0.000 1.159 188 H CB 0.655 30.497 29.762 0.134 0.000 1.882 188 H HN 0.505 8.785 8.280 -0.000 0.000 0.535 189 V N 1.910 122.055 119.914 0.386 0.000 2.555 189 V HA 0.462 4.581 4.120 -0.001 0.000 0.302 189 V C 0.385 176.760 176.094 0.468 0.000 1.038 189 V CA -0.281 62.267 62.300 0.414 0.000 0.887 189 V CB 1.677 33.773 31.823 0.455 0.000 0.991 189 V HN 1.022 9.212 8.190 -0.000 0.000 0.434 190 T N 0.102 114.877 114.554 0.368 0.000 2.912 190 T HA 0.558 4.907 4.350 -0.001 0.000 0.288 190 T C -0.770 173.847 174.700 -0.138 0.000 1.030 190 T CA -0.632 61.583 62.100 0.192 0.000 1.020 190 T CB 1.828 70.864 68.868 0.280 0.000 1.056 190 T HN 0.733 8.973 8.240 -0.000 0.000 0.480 191 H N 1.083 119.802 119.070 -0.585 0.000 2.538 191 H HA 0.372 4.927 4.556 -0.001 0.000 0.353 191 H C -1.046 173.756 175.328 -0.876 0.000 1.109 191 H CA -0.578 54.956 56.048 -0.857 0.000 1.192 191 H CB 1.218 30.147 29.762 -1.388 0.000 1.555 191 H HN 0.722 9.002 8.280 -0.000 0.000 0.518 192 H N 2.519 121.263 119.070 -0.544 0.000 2.782 192 H HA 0.168 4.724 4.556 -0.001 0.000 0.347 192 H C -0.336 174.745 175.328 -0.412 0.000 1.038 192 H CA -0.657 55.190 56.048 -0.335 0.000 1.255 192 H CB 1.984 31.602 29.762 -0.240 0.000 1.623 192 H HN 0.517 8.797 8.280 -0.000 0.000 0.525 193 S N 2.487 118.098 115.700 -0.149 0.000 2.603 193 S HA 0.483 4.952 4.470 -0.001 0.000 0.268 193 S C 0.545 175.080 174.600 -0.108 0.000 1.317 193 S CA -0.474 57.642 58.200 -0.140 0.000 1.012 193 S CB 1.064 64.234 63.200 -0.051 0.000 0.926 193 S HN 0.484 8.794 8.310 -0.000 0.000 0.539 194 R N 0.344 120.779 120.500 -0.110 0.000 2.781 194 R HA 0.484 4.824 4.340 -0.001 0.000 0.269 194 R C -2.992 173.267 176.300 -0.069 0.000 1.025 194 R CA -1.782 54.264 56.100 -0.091 0.000 0.914 194 R CB 0.681 30.912 30.300 -0.115 0.000 1.236 194 R HN 0.371 8.641 8.270 -0.000 0.000 0.465 195 P HA 0.062 4.482 4.420 -0.000 0.000 0.274 195 P C -0.889 176.384 177.300 -0.045 0.000 1.246 195 P CA -0.149 62.926 63.100 -0.042 0.000 0.795 195 P CB 0.499 32.178 31.700 -0.035 0.000 1.006 196 E N 0.395 120.575 120.200 -0.035 0.000 2.442 196 E HA -0.257 4.092 4.350 -0.001 0.000 0.256 196 E C -0.937 175.640 176.600 -0.038 0.000 1.095 196 E CA 0.338 56.719 56.400 -0.032 0.000 0.747 196 E CB -1.887 27.794 29.700 -0.033 0.000 1.310 196 E HN 0.622 8.982 8.360 -0.000 0.000 0.396 197 D N -0.267 120.111 120.400 -0.037 0.000 2.704 197 D HA -0.211 4.429 4.640 -0.001 0.000 0.232 197 D C -0.523 175.741 176.300 -0.060 0.000 1.183 197 D CA 1.885 55.862 54.000 -0.038 0.000 0.647 197 D CB -0.381 40.405 40.800 -0.023 0.000 1.013 197 D HN 0.396 8.766 8.370 -0.000 0.000 0.415 198 K N -0.706 119.642 120.400 -0.087 0.000 2.477 198 K HA 0.777 5.096 4.320 -0.001 0.000 0.255 198 K C -0.554 175.934 176.600 -0.187 0.000 0.952 198 K CA -1.143 55.066 56.287 -0.130 0.000 0.826 198 K CB 2.745 35.172 32.500 -0.122 0.000 1.331 198 K HN 0.014 8.264 8.250 -0.000 0.000 0.437 199 V N -2.105 117.645 119.914 -0.274 0.000 2.962 199 V HA 0.629 4.749 4.120 -0.001 0.000 0.313 199 V C -0.791 175.035 176.094 -0.447 0.000 1.099 199 V CA -0.618 61.424 62.300 -0.431 0.000 0.971 199 V CB 2.022 33.418 31.823 -0.710 0.000 1.028 199 V HN 0.684 8.874 8.190 -0.000 0.000 0.430 200 T N 4.901 119.190 114.554 -0.442 0.000 2.743 200 T HA 0.627 4.976 4.350 -0.001 0.000 0.292 200 T C -0.320 174.149 174.700 -0.384 0.000 0.972 200 T CA -0.112 61.778 62.100 -0.351 0.000 0.967 200 T CB 0.520 69.257 68.868 -0.217 0.000 0.926 200 T HN 0.614 8.854 8.240 -0.000 0.000 0.459 201 L N 3.917 124.877 121.223 -0.438 0.000 2.282 201 L HA 0.579 4.918 4.340 -0.001 0.000 0.288 201 L C 0.508 177.290 176.870 -0.147 0.000 1.033 201 L CA -0.697 53.936 54.840 -0.346 0.000 0.807 201 L CB 1.205 42.933 42.059 -0.551 0.000 1.209 201 L HN 0.356 8.586 8.230 -0.000 0.000 0.423 202 R N 2.606 123.172 120.500 0.111 0.000 2.494 202 R HA 0.454 4.793 4.340 -0.001 0.000 0.305 202 R C -1.418 175.089 176.300 0.344 0.000 0.959 202 R CA -0.480 55.713 56.100 0.154 0.000 0.864 202 R CB 1.780 32.010 30.300 -0.118 0.000 1.159 202 R HN 0.680 8.950 8.270 -0.000 0.000 0.446 203 c N 6.397 125.234 118.600 0.395 0.000 2.264 203 c HA 0.534 5.104 4.570 -0.001 0.000 0.324 203 c C -0.970 173.156 174.090 0.060 0.000 1.267 203 c CA -0.668 55.772 56.329 0.185 0.000 1.618 203 c CB -0.580 41.860 42.510 -0.116 0.000 2.278 203 c HN 0.861 9.091 8.230 -0.000 0.000 0.499 204 W N 4.209 125.468 121.300 -0.069 0.000 2.496 204 W HA 0.621 5.280 4.660 -0.001 0.000 0.327 204 W C 0.021 176.534 176.519 -0.010 0.000 1.086 204 W CA -0.391 56.916 57.345 -0.063 0.000 1.222 204 W CB 1.429 30.631 29.460 -0.431 0.000 1.304 204 W HN 0.874 9.054 8.180 -0.000 0.000 0.547 205 A N 4.409 127.477 122.820 0.413 0.000 2.357 205 A HA 0.836 5.156 4.320 -0.001 0.000 0.295 205 A C -1.353 176.555 177.584 0.541 0.000 1.121 205 A CA -0.607 51.649 52.037 0.366 0.000 0.742 205 A CB 0.505 19.638 19.000 0.220 0.000 1.181 205 A HN 0.660 8.810 8.150 -0.000 0.000 0.454 206 L N 1.193 122.675 121.223 0.432 0.000 2.323 206 L HA 0.787 5.126 4.340 -0.001 0.000 0.265 206 L C 1.226 178.241 176.870 0.241 0.000 1.012 206 L CA -0.520 54.508 54.840 0.314 0.000 0.820 206 L CB 1.769 43.970 42.059 0.237 0.000 1.334 206 L HN 1.197 9.427 8.230 -0.000 0.000 0.427 207 G N 1.398 110.242 108.800 0.073 0.000 2.283 207 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.280 207 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.280 207 G C -0.320 174.651 174.900 0.119 0.000 1.029 207 G CA 0.727 45.856 45.100 0.049 0.000 0.840 207 G HN 0.572 8.862 8.290 -0.000 0.000 0.505 208 F N -1.795 118.230 119.950 0.126 0.000 2.440 208 F HA 0.883 5.410 4.527 -0.001 0.000 0.328 208 F C -0.282 175.733 175.800 0.358 0.000 1.070 208 F CA -2.892 55.157 58.000 0.083 0.000 1.011 208 F CB 1.318 40.138 39.000 -0.300 0.000 1.226 208 F HN 0.160 8.460 8.300 -0.000 0.000 0.491 209 Y N 1.515 122.131 120.300 0.527 0.000 2.436 209 Y HA 0.472 5.021 4.550 -0.001 0.000 0.327 209 Y C -3.032 173.188 175.900 0.533 0.000 1.138 209 Y CA -2.381 56.035 58.100 0.527 0.000 1.042 209 Y CB 2.238 40.916 38.460 0.362 0.000 1.302 209 Y HN 0.440 8.720 8.280 -0.000 0.000 0.439 210 P HA 0.174 4.594 4.420 -0.000 0.000 0.272 210 P C -0.181 177.096 177.300 -0.038 0.000 1.254 210 P CA 0.864 63.602 63.100 -0.603 0.000 0.795 210 P CB 0.777 32.235 31.700 -0.402 0.000 1.022 211 A N -0.053 122.529 122.820 -0.398 0.000 2.015 211 A HA -0.100 4.219 4.320 -0.001 0.000 0.219 211 A C 0.878 178.488 177.584 0.043 0.000 1.163 211 A CA 1.051 52.849 52.037 -0.399 0.000 0.646 211 A CB -1.281 16.994 19.000 -1.207 0.000 0.806 211 A HN 0.587 8.737 8.150 -0.000 0.000 0.448 212 D N -0.361 120.009 120.400 -0.049 0.000 2.434 212 D HA 0.373 5.013 4.640 -0.001 0.000 0.252 212 D C -0.414 175.893 176.300 0.011 0.000 1.185 212 D CA 0.635 54.608 54.000 -0.045 0.000 0.886 212 D CB 0.109 40.844 40.800 -0.108 0.000 1.148 212 D HN 0.318 8.688 8.370 -0.000 0.000 0.483 213 I N 1.868 122.423 120.570 -0.025 0.000 2.984 213 I HA 0.324 4.494 4.170 -0.001 0.000 0.303 213 I C -1.393 174.697 176.117 -0.045 0.000 1.381 213 I CA -0.441 60.820 61.300 -0.066 0.000 0.988 213 I CB 2.262 40.011 38.000 -0.418 0.000 1.307 213 I HN 0.237 8.447 8.210 -0.000 0.000 0.460 214 T N 6.201 120.761 114.554 0.011 0.000 2.840 214 T HA 0.528 4.878 4.350 -0.001 0.000 0.287 214 T C -0.881 173.891 174.700 0.119 0.000 0.991 214 T CA -0.351 61.782 62.100 0.056 0.000 0.964 214 T CB 1.112 70.009 68.868 0.048 0.000 0.954 214 T HN 0.281 8.521 8.240 -0.000 0.000 0.438 215 L N 4.093 125.350 121.223 0.057 0.000 2.333 215 L HA 0.721 5.061 4.340 -0.001 0.000 0.280 215 L C 0.226 177.138 176.870 0.069 0.000 1.004 215 L CA -0.562 54.299 54.840 0.034 0.000 0.820 215 L CB 1.733 43.787 42.059 -0.009 0.000 1.247 215 L HN 0.793 9.023 8.230 -0.000 0.000 0.416 216 T N -1.428 113.175 114.554 0.082 0.000 2.903 216 T HA 0.539 4.888 4.350 -0.001 0.000 0.299 216 T C -1.339 173.423 174.700 0.103 0.000 1.093 216 T CA -0.706 61.481 62.100 0.144 0.000 1.002 216 T CB 1.492 70.474 68.868 0.189 0.000 1.127 216 T HN 0.385 8.625 8.240 -0.000 0.000 0.488 217 W N 0.944 122.362 121.300 0.197 0.000 2.573 217 W HA 0.621 5.280 4.660 -0.001 0.000 0.326 217 W C 0.035 176.694 176.519 0.232 0.000 1.049 217 W CA -0.510 56.974 57.345 0.231 0.000 1.220 217 W CB 2.044 31.629 29.460 0.209 0.000 1.373 217 W HN 0.687 8.867 8.180 -0.000 0.000 0.507 218 Q N 2.624 122.736 119.800 0.519 0.000 2.394 218 Q HA 0.718 5.057 4.340 -0.001 0.000 0.273 218 Q C -1.675 174.445 176.000 0.200 0.000 1.089 218 Q CA -1.423 54.565 55.803 0.308 0.000 0.812 218 Q CB 3.092 31.967 28.738 0.228 0.000 1.353 218 Q HN 0.402 8.672 8.270 -0.000 0.000 0.438 219 L N 2.051 123.292 121.223 0.030 0.000 2.464 219 L HA 0.455 4.794 4.340 -0.001 0.000 0.266 219 L C -0.811 176.011 176.870 -0.081 0.000 0.965 219 L CA -0.051 54.684 54.840 -0.175 0.000 0.833 219 L CB 1.721 43.541 42.059 -0.398 0.000 1.296 219 L HN 0.672 8.902 8.230 -0.000 0.000 0.405 220 N N 3.727 122.377 118.700 -0.083 0.000 2.681 220 N HA -0.228 4.511 4.740 -0.001 0.000 0.250 220 N C 0.979 176.473 175.510 -0.028 0.000 1.133 220 N CA 1.515 54.530 53.050 -0.058 0.000 0.732 220 N CB -1.307 37.148 38.487 -0.053 0.000 1.107 220 N HN 1.400 9.780 8.380 -0.000 0.000 0.559 221 G N -0.283 108.513 108.800 -0.007 0.000 2.205 221 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.261 221 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.261 221 G C -0.182 174.713 174.900 -0.008 0.000 0.980 221 G CA 0.803 45.900 45.100 -0.005 0.000 0.632 221 G HN 0.825 9.115 8.290 -0.000 0.000 0.533 222 E N 1.072 121.274 120.200 0.003 0.000 2.227 222 E HA 0.533 4.883 4.350 -0.001 0.000 0.282 222 E C -0.382 176.245 176.600 0.045 0.000 1.015 222 E CA -0.791 55.616 56.400 0.012 0.000 0.823 222 E CB 1.257 30.963 29.700 0.009 0.000 1.081 222 E HN 0.471 8.831 8.360 -0.000 0.000 0.396 223 E N 3.255 123.482 120.200 0.044 0.000 2.290 223 E HA 0.082 4.431 4.350 -0.001 0.000 0.277 223 E C -0.034 176.628 176.600 0.103 0.000 1.035 223 E CA -0.178 56.275 56.400 0.087 0.000 0.873 223 E CB 0.892 30.625 29.700 0.055 0.000 1.029 223 E HN 0.508 8.868 8.360 -0.000 0.000 0.419 224 L N 4.426 125.748 121.223 0.164 0.000 2.955 224 L HA 0.077 4.416 4.340 -0.001 0.000 0.238 224 L C 1.116 178.066 176.870 0.132 0.000 1.359 224 L CA -0.334 54.597 54.840 0.151 0.000 1.214 224 L CB -0.505 41.678 42.059 0.206 0.000 1.600 224 L HN 0.595 8.825 8.230 -0.000 0.000 0.442 225 I N 0.241 120.870 120.570 0.098 0.000 2.208 225 I HA -0.327 3.842 4.170 -0.001 0.000 0.245 225 I C 2.706 178.856 176.117 0.055 0.000 1.097 225 I CA 1.560 62.905 61.300 0.075 0.000 1.363 225 I CB -0.350 37.676 38.000 0.044 0.000 1.051 225 I HN 0.552 8.762 8.210 -0.000 0.000 0.413 226 Q N 0.560 120.388 119.800 0.046 0.000 2.050 226 Q HA -0.204 4.135 4.340 -0.001 0.000 0.202 226 Q C 0.005 176.024 176.000 0.032 0.000 0.980 226 Q CA 1.802 57.624 55.803 0.032 0.000 0.840 226 Q CB -0.036 28.717 28.738 0.026 0.000 0.898 226 Q HN 0.525 8.795 8.270 -0.000 0.000 0.424 227 D N 0.730 121.156 120.400 0.043 0.000 2.767 227 D HA 0.270 4.909 4.640 -0.001 0.000 0.241 227 D C -0.683 175.636 176.300 0.032 0.000 1.187 227 D CA 0.219 54.238 54.000 0.031 0.000 0.999 227 D CB 0.378 41.199 40.800 0.035 0.000 1.042 227 D HN 0.135 8.505 8.370 -0.000 0.000 0.510 228 M N 1.122 120.744 119.600 0.037 0.000 2.371 228 M HA 0.273 4.752 4.480 -0.001 0.000 0.287 228 M C -1.578 174.751 176.300 0.047 0.000 1.149 228 M CA -0.801 54.532 55.300 0.055 0.000 0.929 228 M CB 2.460 35.134 32.600 0.123 0.000 1.683 228 M HN -0.040 8.250 8.290 -0.000 0.000 0.470 229 E N 3.149 123.389 120.200 0.067 0.000 2.277 229 E HA 0.767 5.116 4.350 -0.001 0.000 0.274 229 E C -2.034 174.585 176.600 0.032 0.000 1.022 229 E CA -0.440 56.007 56.400 0.078 0.000 0.853 229 E CB 1.602 31.410 29.700 0.181 0.000 1.086 229 E HN 0.611 8.971 8.360 -0.000 0.000 0.397 230 L N 3.914 125.029 121.223 -0.180 0.000 2.591 230 L HA 0.459 4.799 4.340 -0.001 0.000 0.257 230 L C -1.589 174.923 176.870 -0.597 0.000 0.935 230 L CA -0.794 53.810 54.840 -0.394 0.000 0.873 230 L CB 2.005 43.963 42.059 -0.168 0.000 1.397 230 L HN 0.518 8.748 8.230 -0.000 0.000 0.414 231 V N -0.092 119.299 119.914 -0.872 0.000 2.732 231 V HA 0.656 4.775 4.120 -0.001 0.000 0.310 231 V C -0.062 175.821 176.094 -0.350 0.000 1.053 231 V CA -0.748 61.164 62.300 -0.647 0.000 0.957 231 V CB 1.646 32.973 31.823 -0.827 0.000 1.018 231 V HN 0.823 9.013 8.190 -0.000 0.000 0.452 232 E N 1.406 121.485 120.200 -0.202 0.000 2.392 232 E HA 0.213 4.563 4.350 -0.001 0.000 0.264 232 E C 0.007 176.578 176.600 -0.049 0.000 1.024 232 E CA -0.131 56.209 56.400 -0.101 0.000 0.903 232 E CB 0.505 30.169 29.700 -0.060 0.000 0.963 232 E HN 0.823 9.183 8.360 -0.000 0.000 0.432 233 T N 3.817 118.379 114.554 0.014 0.000 2.905 233 T HA 0.031 4.380 4.350 -0.001 0.000 0.299 233 T C 0.208 175.002 174.700 0.156 0.000 1.024 233 T CA 0.331 62.504 62.100 0.121 0.000 1.151 233 T CB 0.005 68.960 68.868 0.144 0.000 0.987 233 T HN 0.417 8.657 8.240 -0.000 0.000 0.535 234 R N 3.019 123.653 120.500 0.223 0.000 2.744 234 R HA 0.569 4.908 4.340 -0.001 0.000 0.279 234 R C -3.238 173.216 176.300 0.256 0.000 0.977 234 R CA -2.531 53.705 56.100 0.227 0.000 0.906 234 R CB 1.366 31.744 30.300 0.130 0.000 1.197 234 R HN 0.281 8.551 8.270 -0.000 0.000 0.463 235 P HA 0.064 4.484 4.420 -0.000 0.000 0.271 235 P C -0.327 176.883 177.300 -0.150 0.000 1.216 235 P CA -0.204 62.756 63.100 -0.232 0.000 0.776 235 P CB 1.447 33.050 31.700 -0.163 0.000 0.881 236 A N 2.060 124.741 122.820 -0.232 0.000 2.500 236 A HA 0.506 4.826 4.320 -0.001 0.000 0.267 236 A C 1.448 178.970 177.584 -0.103 0.000 1.290 236 A CA 0.387 52.357 52.037 -0.112 0.000 0.928 236 A CB -0.965 17.983 19.000 -0.087 0.000 1.066 236 A HN 0.694 8.844 8.150 -0.000 0.000 0.516 237 G N 0.660 109.384 108.800 -0.127 0.000 2.217 237 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.246 237 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.246 237 G C 0.271 175.113 174.900 -0.097 0.000 0.990 237 G CA 0.703 45.748 45.100 -0.093 0.000 0.627 237 G HN 0.900 9.190 8.290 -0.000 0.000 0.522 238 D N -1.047 119.280 120.400 -0.121 0.000 2.563 238 D HA 0.455 5.094 4.640 -0.001 0.000 0.237 238 D C 1.500 177.728 176.300 -0.119 0.000 1.282 238 D CA 0.607 54.548 54.000 -0.099 0.000 0.816 238 D CB -0.249 40.506 40.800 -0.074 0.000 1.066 238 D HN 1.574 9.944 8.370 -0.000 0.000 0.501 239 G N 0.090 108.783 108.800 -0.178 0.000 2.176 239 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.232 239 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.232 239 G C 0.422 175.184 174.900 -0.229 0.000 0.986 239 G CA 0.365 45.358 45.100 -0.179 0.000 0.643 239 G HN 0.849 9.139 8.290 -0.000 0.000 0.522 240 T N -1.676 112.690 114.554 -0.314 0.000 2.927 240 T HA 0.850 5.199 4.350 -0.001 0.000 0.286 240 T C -0.288 173.998 174.700 -0.690 0.000 1.040 240 T CA -0.905 61.042 62.100 -0.256 0.000 1.010 240 T CB 2.375 71.191 68.868 -0.087 0.000 1.177 240 T HN 0.453 8.693 8.240 -0.000 0.000 0.546 241 F N 0.147 119.874 119.950 -0.371 0.000 2.631 241 F HA 0.699 5.225 4.527 -0.001 0.000 0.328 241 F C 0.145 175.450 175.800 -0.825 0.000 1.067 241 F CA -0.938 56.754 58.000 -0.513 0.000 0.969 241 F CB 2.170 40.889 39.000 -0.469 0.000 1.332 241 F HN 0.915 9.215 8.300 -0.000 0.000 0.490 242 Q N 0.483 120.191 119.800 -0.153 0.000 2.553 242 Q HA 0.752 5.092 4.340 -0.001 0.000 0.293 242 Q C -1.828 174.389 176.000 0.361 0.000 1.038 242 Q CA -1.230 54.657 55.803 0.140 0.000 0.777 242 Q CB 3.597 32.495 28.738 0.267 0.000 1.487 242 Q HN 0.635 8.905 8.270 -0.000 0.000 0.426 243 K N 0.485 121.158 120.400 0.456 0.000 2.610 243 K HA 0.445 4.765 4.320 -0.001 0.000 0.278 243 K C -2.063 174.649 176.600 0.188 0.000 0.964 243 K CA -0.586 55.839 56.287 0.229 0.000 0.859 243 K CB 1.788 34.428 32.500 0.233 0.000 1.434 243 K HN 0.841 9.091 8.250 -0.000 0.000 0.410 244 W N 0.909 122.121 121.300 -0.147 0.000 3.107 244 W HA 0.821 5.481 4.660 -0.001 0.000 0.331 244 W C -1.981 174.421 176.519 -0.196 0.000 1.204 244 W CA -1.036 56.089 57.345 -0.367 0.000 1.184 244 W CB 1.455 30.247 29.460 -1.113 0.000 1.421 244 W HN 0.693 8.873 8.180 -0.000 0.000 0.544 245 A N 2.326 125.357 122.820 0.352 0.000 2.398 245 A HA 0.719 5.038 4.320 -0.001 0.000 0.301 245 A C -0.723 177.244 177.584 0.638 0.000 1.041 245 A CA -0.431 51.842 52.037 0.393 0.000 0.711 245 A CB 1.575 20.752 19.000 0.295 0.000 1.240 245 A HN 0.870 9.020 8.150 -0.000 0.000 0.420 246 S N 0.361 116.343 115.700 0.471 0.000 2.677 246 S HA 0.886 5.356 4.470 -0.001 0.000 0.304 246 S C -0.941 173.556 174.600 -0.171 0.000 1.108 246 S CA -0.758 57.533 58.200 0.152 0.000 0.944 246 S CB 1.730 64.957 63.200 0.045 0.000 1.127 246 S HN 1.970 10.280 8.310 -0.000 0.000 0.511 247 V N 1.018 120.633 119.914 -0.497 0.000 2.891 247 V HA 0.533 4.653 4.120 -0.001 0.000 0.304 247 V C -1.504 174.291 176.094 -0.499 0.000 1.171 247 V CA -0.616 61.372 62.300 -0.520 0.000 0.943 247 V CB 2.062 33.424 31.823 -0.768 0.000 1.037 247 V HN 0.952 9.142 8.190 -0.000 0.000 0.427 248 V N 7.270 126.978 119.914 -0.344 0.000 2.385 248 V HA 0.537 4.657 4.120 -0.001 0.000 0.269 248 V C 0.204 176.089 176.094 -0.349 0.000 1.043 248 V CA 0.065 62.173 62.300 -0.319 0.000 0.906 248 V CB 1.296 32.995 31.823 -0.206 0.000 0.995 248 V HN 0.886 9.076 8.190 -0.000 0.000 0.467 249 V N 4.076 123.729 119.914 -0.434 0.000 3.019 249 V HA 0.775 4.895 4.120 -0.001 0.000 0.317 249 V C -2.821 173.120 176.094 -0.256 0.000 1.094 249 V CA -3.047 58.988 62.300 -0.441 0.000 1.000 249 V CB 2.076 33.386 31.823 -0.854 0.000 1.060 249 V HN 0.617 8.807 8.190 -0.000 0.000 0.443 250 P HA 0.243 4.663 4.420 -0.000 0.000 0.271 250 P C -0.519 176.729 177.300 -0.088 0.000 1.216 250 P CA -0.220 62.829 63.100 -0.085 0.000 0.771 250 P CB 0.426 32.112 31.700 -0.024 0.000 0.864 251 L N 3.754 124.936 121.223 -0.068 0.000 2.540 251 L HA 0.247 4.586 4.340 -0.001 0.000 0.276 251 L C 1.380 178.239 176.870 -0.019 0.000 1.212 251 L CA 1.783 56.602 54.840 -0.034 0.000 0.893 251 L CB -1.223 40.825 42.059 -0.019 0.000 1.138 251 L HN 0.791 9.021 8.230 -0.000 0.000 0.491 252 G N 3.421 112.224 108.800 0.005 0.000 2.175 252 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.244 252 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.244 252 G C 0.903 175.741 174.900 -0.104 0.000 0.982 252 G CA 0.433 45.525 45.100 -0.013 0.000 0.641 252 G HN 0.717 9.007 8.290 -0.000 0.000 0.527 253 K N 0.199 120.526 120.400 -0.120 0.000 2.387 253 K HA 0.301 4.620 4.320 -0.001 0.000 0.203 253 K C 1.732 178.297 176.600 -0.058 0.000 1.030 253 K CA 0.554 56.692 56.287 -0.249 0.000 1.099 253 K CB 0.215 32.657 32.500 -0.096 0.000 0.863 253 K HN 0.250 8.500 8.250 -0.000 0.000 0.529 254 E N 0.775 120.987 120.200 0.021 0.000 2.097 254 E HA -0.201 4.148 4.350 -0.001 0.000 0.196 254 E C 1.482 178.280 176.600 0.328 0.000 1.000 254 E CA 1.240 57.728 56.400 0.146 0.000 0.804 254 E CB 0.079 29.930 29.700 0.252 0.000 0.740 254 E HN 0.197 8.557 8.360 -0.000 0.000 0.454 255 Q N -0.645 119.310 119.800 0.258 0.000 2.500 255 Q HA -0.092 4.247 4.340 -0.001 0.000 0.213 255 Q C 0.749 177.077 176.000 0.547 0.000 0.974 255 Q CA 0.719 56.734 55.803 0.352 0.000 0.918 255 Q CB 0.094 28.999 28.738 0.278 0.000 0.980 255 Q HN 0.474 8.744 8.270 -0.000 0.000 0.505 256 Y N -1.447 119.034 120.300 0.301 0.000 2.466 256 Y HA 0.100 4.649 4.550 -0.001 0.000 0.272 256 Y C -0.051 175.861 175.900 0.020 0.000 1.169 256 Y CA -0.769 57.407 58.100 0.125 0.000 1.285 256 Y CB -0.072 38.404 38.460 0.027 0.000 1.078 256 Y HN -0.045 8.235 8.280 -0.000 0.000 0.523 257 Y N -0.128 120.386 120.300 0.357 0.000 2.393 257 Y HA 0.517 5.067 4.550 -0.001 0.000 0.341 257 Y C 0.527 176.711 175.900 0.473 0.000 0.988 257 Y CA -1.655 56.685 58.100 0.400 0.000 1.078 257 Y CB 1.621 40.282 38.460 0.333 0.000 1.203 257 Y HN -0.177 8.103 8.280 -0.000 0.000 0.453 258 T N -1.182 113.698 114.554 0.545 0.000 2.907 258 T HA 0.530 4.879 4.350 -0.001 0.000 0.292 258 T C -1.005 173.638 174.700 -0.097 0.000 1.043 258 T CA -0.841 61.382 62.100 0.205 0.000 1.003 258 T CB 1.409 70.312 68.868 0.058 0.000 1.084 258 T HN 0.786 9.026 8.240 -0.000 0.000 0.483 259 c N 3.485 121.724 118.600 -0.602 0.000 2.329 259 c HA 0.643 5.212 4.570 -0.001 0.000 0.329 259 c C -0.508 173.157 174.090 -0.708 0.000 1.275 259 c CA -0.342 55.449 56.329 -0.897 0.000 1.726 259 c CB -0.697 41.100 42.510 -1.187 0.000 2.291 259 c HN 0.997 9.227 8.230 -0.000 0.000 0.514 260 H N 4.072 122.972 119.070 -0.283 0.000 2.529 260 H HA 0.529 5.085 4.556 -0.001 0.000 0.348 260 H C -0.913 174.246 175.328 -0.281 0.000 1.079 260 H CA -0.355 55.539 56.048 -0.257 0.000 1.198 260 H CB 1.927 31.611 29.762 -0.130 0.000 1.521 260 H HN 0.502 8.782 8.280 -0.000 0.000 0.514 261 V N 4.606 124.324 119.914 -0.328 0.000 2.407 261 V HA 0.207 4.326 4.120 -0.001 0.000 0.291 261 V C -0.982 174.885 176.094 -0.378 0.000 1.018 261 V CA -0.815 61.337 62.300 -0.246 0.000 0.842 261 V CB 0.685 32.398 31.823 -0.183 0.000 0.996 261 V HN 0.574 8.764 8.190 -0.000 0.000 0.426 262 Y N 3.645 123.928 120.300 -0.027 0.000 2.335 262 Y HA 0.777 5.326 4.550 -0.001 0.000 0.338 262 Y C 0.008 175.914 175.900 0.009 0.000 0.977 262 Y CA -0.536 57.559 58.100 -0.009 0.000 1.114 262 Y CB 1.606 40.052 38.460 -0.023 0.000 1.182 262 Y HN 0.810 9.090 8.280 -0.000 0.000 0.463 263 H N 0.776 119.853 119.070 0.011 0.000 3.064 263 H HA 0.179 4.734 4.556 -0.001 0.000 0.352 263 H C 0.257 175.585 175.328 -0.001 0.000 1.260 263 H CA -0.837 55.184 56.048 -0.045 0.000 1.160 263 H CB 1.671 31.359 29.762 -0.125 0.000 1.879 263 H HN 0.674 8.954 8.280 -0.000 0.000 0.544 264 Q N 1.772 121.311 119.800 -0.434 0.000 2.364 264 Q HA 0.001 4.341 4.340 -0.001 0.000 0.209 264 Q C 0.995 176.973 176.000 -0.036 0.000 0.977 264 Q CA 1.374 57.055 55.803 -0.204 0.000 0.885 264 Q CB 0.095 28.695 28.738 -0.229 0.000 0.941 264 Q HN 0.653 8.923 8.270 -0.000 0.000 0.464 265 G N 1.040 109.918 108.800 0.130 0.000 3.181 265 G HA2 0.254 4.213 3.960 -0.001 0.000 0.219 265 G HA3 0.254 4.213 3.960 -0.001 0.000 0.219 265 G C 0.012 175.014 174.900 0.169 0.000 1.182 265 G CA -0.323 44.919 45.100 0.238 0.000 0.791 265 G HN 0.176 8.466 8.290 -0.000 0.000 0.537 266 L N 1.350 122.648 121.223 0.125 0.000 2.345 266 L HA 0.295 4.634 4.340 -0.001 0.000 0.274 266 L C -1.229 175.668 176.870 0.046 0.000 0.999 266 L CA -1.846 53.037 54.840 0.073 0.000 0.849 266 L CB 2.560 44.649 42.059 0.049 0.000 1.220 266 L HN -0.072 8.158 8.230 -0.000 0.000 0.422 267 P HA -0.117 4.303 4.420 -0.000 0.000 0.216 267 P C -0.071 177.245 177.300 0.027 0.000 1.150 267 P CA 1.202 64.320 63.100 0.030 0.000 0.837 267 P CB 0.592 32.308 31.700 0.027 0.000 0.786 268 E N -0.234 119.976 120.200 0.015 0.000 2.234 268 E HA 0.404 4.754 4.350 -0.001 0.000 0.266 268 E C -2.646 173.933 176.600 -0.036 0.000 0.877 268 E CA -2.656 53.746 56.400 0.004 0.000 0.758 268 E CB 1.529 31.231 29.700 0.004 0.000 1.170 268 E HN 0.013 8.373 8.360 -0.000 0.000 0.415 269 P HA -0.036 4.384 4.420 -0.000 0.000 0.266 269 P C -0.772 176.409 177.300 -0.199 0.000 1.193 269 P CA 0.194 63.134 63.100 -0.266 0.000 0.770 269 P CB 0.498 31.861 31.700 -0.561 0.000 0.836 270 L N 2.136 123.224 121.223 -0.226 0.000 2.350 270 L HA 0.336 4.676 4.340 -0.001 0.000 0.275 270 L C 0.448 177.173 176.870 -0.240 0.000 1.099 270 L CA 0.129 54.867 54.840 -0.171 0.000 0.808 270 L CB 0.660 42.637 42.059 -0.137 0.000 1.149 270 L HN 0.315 8.545 8.230 -0.000 0.000 0.442 271 T N 4.069 118.493 114.554 -0.217 0.000 2.809 271 T HA 0.647 4.996 4.350 -0.001 0.000 0.284 271 T C -0.453 174.102 174.700 -0.241 0.000 0.992 271 T CA -0.457 61.427 62.100 -0.360 0.000 0.957 271 T CB 1.399 70.128 68.868 -0.231 0.000 0.942 271 T HN 0.126 8.366 8.240 -0.000 0.000 0.439 272 L N 2.757 123.809 121.223 -0.285 0.000 2.301 272 L HA 0.786 5.125 4.340 -0.001 0.000 0.264 272 L C 0.285 177.124 176.870 -0.052 0.000 1.016 272 L CA -0.789 53.972 54.840 -0.131 0.000 0.821 272 L CB 1.772 43.766 42.059 -0.109 0.000 1.346 272 L HN 0.485 8.715 8.230 -0.000 0.000 0.429 273 R N -1.005 119.543 120.500 0.080 0.000 2.781 273 R HA 0.372 4.711 4.340 -0.001 0.000 0.269 273 R C -1.649 174.831 176.300 0.300 0.000 1.025 273 R CA -0.752 55.477 56.100 0.215 0.000 0.914 273 R CB 1.625 32.026 30.300 0.168 0.000 1.236 273 R HN 0.535 8.805 8.270 -0.000 0.000 0.465 274 W N 0.000 121.402 121.300 0.170 0.000 2.388 274 W HA 0.000 4.660 4.660 -0.001 0.000 0.303 274 W CA 0.000 57.422 57.345 0.129 0.000 1.226 274 W CB 0.000 29.539 29.460 0.132 0.000 1.126 274 W HN 0.000 8.180 8.180 -0.000 0.000 0.535