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 2k8p_1_A DATA FIRST_RESID 1 DATA SEQUENCE GWQAFKNDAT EIIPELGEYP EPPPELENNK TMNRAENGGR PPHHPFETKD DATA SEQUENCE VSEYScRELH FTRYVTDGPc RSAKPVTELV cSGQcGPARL LPNAIGRGKW DATA SEQUENCE WRPSGPDFRc IPDRYRAQRV QLLcPGGEAP RARKVRLVAS cKcKRLTRFH DATA SEQUENCE NQSELKDFGT EAARPQKGRK PRPRARSAKA NQAELENAY 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 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.877 3.960 -0.139 0.000 0.244 1 G C 0.000 174.910 174.900 0.017 0.000 0.946 1 G CA 0.000 45.052 45.100 -0.080 0.000 0.502 2 W N 0.049 121.322 121.300 -0.044 0.000 2.975 2 W HA 0.348 4.979 4.660 -0.049 0.000 0.342 2 W C -1.296 175.165 176.519 -0.097 0.000 1.168 2 W CA -0.867 56.443 57.345 -0.058 0.000 1.141 2 W CB 0.869 30.298 29.460 -0.052 0.000 1.445 2 W HN -0.210 7.533 8.180 -0.729 0.000 0.560 3 Q N 1.118 121.085 119.800 0.278 0.000 2.290 3 Q HA 0.290 4.580 4.340 -0.084 0.000 0.269 3 Q C -1.806 174.152 176.000 -0.069 0.000 1.016 3 Q CA -0.199 55.616 55.803 0.020 0.000 0.754 3 Q CB 1.989 30.648 28.738 -0.131 0.000 1.247 3 Q HN 0.149 8.602 8.270 0.306 0.000 0.451 4 A N 2.874 125.675 122.820 -0.033 0.000 2.373 4 A HA 0.541 4.675 4.320 -0.310 0.000 0.291 4 A C -1.219 175.941 177.584 -0.707 0.000 1.171 4 A CA -0.210 51.672 52.037 -0.257 0.000 0.922 4 A CB 1.320 20.353 19.000 0.056 0.000 1.400 4 A HN 0.239 8.499 8.150 0.183 0.000 0.474 5 F N -2.506 117.510 119.950 0.109 0.000 2.706 5 F HA 0.371 4.946 4.527 0.080 0.000 0.328 5 F C -0.668 175.166 175.800 0.057 0.000 1.123 5 F CA -0.299 57.745 58.000 0.074 0.000 0.978 5 F CB 1.949 40.980 39.000 0.051 0.000 1.404 5 F HN -0.245 8.127 8.300 0.119 0.000 0.497 6 K N 1.479 122.034 120.400 0.259 0.000 2.565 6 K HA 0.259 4.655 4.320 0.127 0.000 0.251 6 K C -1.777 174.888 176.600 0.108 0.000 0.956 6 K CA 0.135 56.508 56.287 0.143 0.000 0.809 6 K CB 1.234 33.797 32.500 0.104 0.000 1.267 6 K HN 0.190 8.626 8.250 0.310 0.000 0.438 7 N N 1.033 119.778 118.700 0.075 0.000 3.091 7 N HA 0.419 5.187 4.740 0.047 0.000 0.329 7 N C -1.551 173.979 175.510 0.034 0.000 1.430 7 N CA -0.433 52.645 53.050 0.047 0.000 0.755 7 N CB 1.316 39.821 38.487 0.031 0.000 1.626 7 N HN 0.095 8.519 8.380 0.073 0.000 0.614 8 D N -1.075 119.339 120.400 0.023 0.000 2.867 8 D HA 0.358 5.010 4.640 0.019 0.000 0.308 8 D C -1.041 175.266 176.300 0.012 0.000 1.202 8 D CA -0.594 53.417 54.000 0.018 0.000 1.035 8 D CB 1.522 42.332 40.800 0.017 0.000 1.427 8 D HN 0.391 8.772 8.370 0.019 0.000 0.570 9 A N -0.718 122.108 122.820 0.010 0.000 2.311 9 A HA 0.420 4.744 4.320 0.006 0.000 0.272 9 A C -0.673 176.914 177.584 0.005 0.000 1.438 9 A CA 1.135 53.176 52.037 0.007 0.000 0.819 9 A CB 0.589 19.593 19.000 0.006 0.000 1.336 9 A HN 0.501 8.657 8.150 0.011 0.000 0.528 10 T N -1.297 113.259 114.554 0.004 0.000 3.933 10 T HA -0.048 4.304 4.350 0.003 0.000 0.357 10 T C -1.869 172.832 174.700 0.002 0.000 1.077 10 T CA -0.175 61.927 62.100 0.003 0.000 1.082 10 T CB 0.696 69.564 68.868 0.001 0.000 1.158 10 T HN -0.165 8.077 8.240 0.003 0.000 0.472 11 E N 7.729 127.931 120.200 0.003 0.000 2.179 11 E HA 0.372 4.724 4.350 0.003 0.000 0.275 11 E C -0.719 175.883 176.600 0.003 0.000 0.945 11 E CA -0.884 55.518 56.400 0.003 0.000 0.792 11 E CB 1.559 31.262 29.700 0.004 0.000 1.125 11 E HN 0.147 8.510 8.360 0.003 0.000 0.397 12 I N 2.923 123.495 120.570 0.003 0.000 2.388 12 I HA 0.166 4.338 4.170 0.004 0.000 0.281 12 I C -0.900 175.220 176.117 0.004 0.000 1.046 12 I CA 0.128 61.430 61.300 0.003 0.000 1.187 12 I CB 0.438 38.440 38.000 0.003 0.000 1.351 12 I HN 0.325 8.537 8.210 0.003 0.000 0.472 13 I N 8.092 128.665 120.570 0.005 0.000 2.862 13 I HA 0.318 4.491 4.170 0.006 0.000 0.285 13 I C -1.680 174.442 176.117 0.008 0.000 1.339 13 I CA -1.712 59.591 61.300 0.006 0.000 1.002 13 I CB 0.266 38.269 38.000 0.005 0.000 1.618 13 I HN 0.175 8.388 8.210 0.005 0.000 0.593 14 P HA 0.198 4.625 4.420 0.011 0.000 0.272 14 P C -0.506 176.803 177.300 0.016 0.000 1.223 14 P CA -0.194 62.913 63.100 0.012 0.000 0.784 14 P CB 2.020 33.727 31.700 0.012 0.000 0.923 15 E N -0.819 119.393 120.200 0.020 0.000 2.251 15 E HA -0.066 4.297 4.350 0.022 0.000 0.194 15 E C 0.111 176.735 176.600 0.040 0.000 0.964 15 E CA -0.009 56.407 56.400 0.026 0.000 0.868 15 E CB 0.415 30.131 29.700 0.027 0.000 0.828 15 E HN 0.183 8.554 8.360 0.019 0.000 0.481 16 L N -2.053 119.192 121.223 0.038 0.000 3.434 16 L HA -0.270 4.090 4.340 0.034 0.000 0.332 16 L C -0.884 176.036 176.870 0.082 0.000 1.130 16 L CA 0.946 55.814 54.840 0.047 0.000 1.259 16 L CB -0.133 41.953 42.059 0.044 0.000 1.246 16 L HN -0.395 7.852 8.230 0.029 0.000 0.520 17 G N -1.332 107.525 108.800 0.095 0.000 4.024 17 G HA2 0.049 4.219 3.960 0.350 0.000 0.237 17 G HA3 0.049 4.108 3.960 0.164 0.000 0.237 17 G C -1.049 173.849 174.900 -0.003 0.000 3.869 17 G CA -0.223 44.983 45.100 0.176 0.000 0.560 17 G HN -0.044 8.284 8.290 0.062 0.000 0.230 18 E N 1.582 121.809 120.200 0.046 0.000 2.751 18 E HA 0.249 4.473 4.350 -0.209 0.000 0.219 18 E C -1.144 175.459 176.600 0.005 0.000 1.060 18 E CA -0.844 55.514 56.400 -0.070 0.000 0.893 18 E CB -0.624 29.063 29.700 -0.023 0.000 1.300 18 E HN 0.190 8.631 8.360 0.135 0.000 0.433 19 Y N -0.044 120.256 120.300 -0.001 0.000 2.726 19 Y HA 0.317 4.866 4.550 -0.001 0.000 0.367 19 Y C -2.191 173.708 175.900 -0.000 0.000 1.038 19 Y CA -4.524 53.576 58.100 -0.000 0.000 1.174 19 Y CB -0.844 37.616 38.460 -0.000 0.000 1.265 19 Y HN -0.233 7.520 8.280 -0.880 0.000 0.622 20 P HA 0.006 4.379 4.420 -0.078 0.000 0.269 20 P C -0.996 176.321 177.300 0.028 0.000 1.263 20 P CA 0.465 63.545 63.100 -0.034 0.000 0.813 20 P CB 0.227 31.902 31.700 -0.041 0.000 0.868 21 E N 3.333 123.560 120.200 0.046 0.000 3.374 21 E HA 0.278 4.652 4.350 0.040 0.000 0.223 21 E C -1.841 174.780 176.600 0.034 0.000 1.210 21 E CA -1.923 54.508 56.400 0.051 0.000 0.987 21 E CB 0.678 30.427 29.700 0.081 0.000 1.322 21 E HN 0.128 8.512 8.360 0.040 0.000 0.404 22 P HA 0.200 4.627 4.420 0.011 0.000 0.273 22 P C -1.980 175.328 177.300 0.013 0.000 1.250 22 P CA -1.200 61.907 63.100 0.011 0.000 0.793 22 P CB -0.347 31.355 31.700 0.003 0.000 1.011 23 P HA 0.223 4.650 4.420 0.011 0.000 0.273 23 P C -1.862 175.442 177.300 0.007 0.000 1.250 23 P CA -0.970 62.136 63.100 0.009 0.000 0.793 23 P CB -0.973 30.732 31.700 0.007 0.000 1.011 24 P HA 0.141 4.564 4.420 0.005 0.000 0.275 24 P C -1.935 175.367 177.300 0.004 0.000 1.270 24 P CA -0.137 62.966 63.100 0.005 0.000 0.791 24 P CB 0.743 32.446 31.700 0.005 0.000 1.089 25 E N -1.878 118.324 120.200 0.003 0.000 2.640 25 E HA 0.365 4.716 4.350 0.002 0.000 0.360 25 E C -1.408 175.193 176.600 0.002 0.000 1.014 25 E CA -0.461 55.940 56.400 0.002 0.000 0.757 25 E CB 0.327 30.027 29.700 0.001 0.000 1.565 25 E HN 0.038 8.400 8.360 0.003 0.000 0.381 26 L N 0.590 121.814 121.223 0.002 0.000 2.305 26 L HA 0.708 5.049 4.340 0.001 0.000 0.239 26 L C -0.743 176.127 176.870 0.001 0.000 1.146 26 L CA -1.010 53.831 54.840 0.001 0.000 1.038 26 L CB 1.965 44.025 42.059 0.002 0.000 1.591 26 L HN 0.200 8.431 8.230 0.002 0.000 0.438 27 E N -0.484 119.716 120.200 0.001 0.000 2.388 27 E HA 0.340 4.690 4.350 0.001 0.000 0.280 27 E C -2.080 174.521 176.600 0.001 0.000 1.019 27 E CA -0.668 55.732 56.400 0.001 0.000 0.806 27 E CB 3.054 32.755 29.700 0.000 0.000 1.246 27 E HN 0.253 8.613 8.360 0.001 0.000 0.443 28 N N 1.566 120.266 118.700 0.000 0.000 2.616 28 N HA 0.167 4.907 4.740 0.000 0.000 0.281 28 N C -2.325 173.185 175.510 0.000 0.000 1.145 28 N CA -0.389 52.661 53.050 0.000 0.000 0.919 28 N CB 1.084 39.571 38.487 0.000 0.000 1.509 28 N HN 0.349 8.730 8.380 0.000 0.000 0.537 29 N N 0.747 119.447 118.700 0.000 0.000 2.402 29 N HA 0.597 5.337 4.740 -0.000 0.000 0.294 29 N C -1.410 174.100 175.510 -0.000 0.000 1.203 29 N CA -0.556 52.494 53.050 -0.000 0.000 0.838 29 N CB 2.437 40.923 38.487 -0.000 0.000 1.306 29 N HN -0.027 8.353 8.380 0.000 0.000 0.510 30 K N -1.487 118.913 120.400 -0.000 0.000 2.331 30 K HA 0.381 4.701 4.320 -0.000 0.000 0.238 30 K C -1.004 175.596 176.600 -0.001 0.000 1.058 30 K CA -0.754 55.533 56.287 -0.000 0.000 0.871 30 K CB 1.165 33.665 32.500 -0.000 0.000 1.292 30 K HN 0.124 8.374 8.250 -0.000 0.000 0.470 31 T N -0.325 114.228 114.554 -0.001 0.000 3.041 31 T HA 0.517 4.866 4.350 -0.001 0.000 0.321 31 T C -2.047 172.653 174.700 -0.001 0.000 1.184 31 T CA -0.360 61.739 62.100 -0.001 0.000 1.050 31 T CB 0.636 69.503 68.868 -0.001 0.000 1.159 31 T HN 0.046 8.286 8.240 -0.001 0.000 0.469 32 M N 4.355 123.955 119.600 -0.001 0.000 2.346 32 M HA 0.291 4.771 4.480 -0.001 0.000 0.287 32 M C -2.001 174.299 176.300 -0.001 0.000 1.100 32 M CA -0.478 54.822 55.300 -0.001 0.000 0.950 32 M CB 2.110 34.709 32.600 -0.001 0.000 1.815 32 M HN 0.647 8.937 8.290 -0.001 0.000 0.497 33 N N 2.036 120.735 118.700 -0.001 0.000 3.308 33 N HA 0.677 5.416 4.740 -0.001 0.000 0.276 33 N C -2.196 173.313 175.510 -0.002 0.000 1.533 33 N CA -0.988 52.061 53.050 -0.001 0.000 0.878 33 N CB 1.479 39.965 38.487 -0.001 0.000 1.566 33 N HN 0.585 8.964 8.380 -0.001 0.000 0.546 34 R N -1.577 118.922 120.500 -0.002 0.000 2.692 34 R HA 0.480 4.819 4.340 -0.002 0.000 0.269 34 R C -2.239 174.060 176.300 -0.002 0.000 1.030 34 R CA -0.065 56.034 56.100 -0.002 0.000 0.882 34 R CB 0.936 31.234 30.300 -0.002 0.000 1.250 34 R HN 0.526 8.796 8.270 -0.001 0.000 0.465 35 A N 1.478 124.297 122.820 -0.002 0.000 2.552 35 A HA 0.334 4.653 4.320 -0.002 0.000 0.288 35 A C -1.757 175.825 177.584 -0.003 0.000 1.193 35 A CA -0.413 51.623 52.037 -0.002 0.000 0.713 35 A CB 1.475 20.474 19.000 -0.002 0.000 1.305 35 A HN 0.160 8.308 8.150 -0.002 0.000 0.424 36 E N -0.647 119.551 120.200 -0.003 0.000 2.367 36 E HA 0.482 4.830 4.350 -0.003 0.000 0.273 36 E C -1.688 174.910 176.600 -0.003 0.000 0.903 36 E CA -0.970 55.428 56.400 -0.003 0.000 0.764 36 E CB 2.311 32.010 29.700 -0.003 0.000 1.252 36 E HN 0.568 8.926 8.360 -0.002 0.000 0.446 37 N N -0.329 118.368 118.700 -0.004 0.000 2.619 37 N HA 0.709 5.447 4.740 -0.004 0.000 0.294 37 N C -1.261 174.246 175.510 -0.005 0.000 1.279 37 N CA -0.884 52.163 53.050 -0.005 0.000 0.867 37 N CB 2.246 40.730 38.487 -0.006 0.000 1.329 37 N HN 0.573 8.951 8.380 -0.004 0.000 0.557 38 G N -2.378 106.418 108.800 -0.005 0.000 2.761 38 G HA2 0.088 4.045 3.960 -0.006 0.000 0.296 38 G HA3 0.088 4.046 3.960 -0.004 0.000 0.296 38 G C -2.037 172.859 174.900 -0.006 0.000 1.416 38 G CA 0.597 45.694 45.100 -0.005 0.000 1.105 38 G HN 0.314 8.601 8.290 -0.005 0.000 0.565 39 G N 0.501 109.297 108.800 -0.008 0.000 2.167 39 G HA2 -0.019 3.936 3.960 -0.008 0.000 0.300 39 G HA3 -0.019 3.934 3.960 -0.011 0.000 0.300 39 G C -1.325 173.568 174.900 -0.012 0.000 1.842 39 G CA 0.476 45.571 45.100 -0.010 0.000 1.035 39 G HN -0.084 8.202 8.290 -0.008 0.000 0.489 40 R N 2.646 123.141 120.500 -0.009 0.000 2.644 40 R HA 0.154 4.484 4.340 -0.015 0.000 0.271 40 R C -1.833 174.463 176.300 -0.007 0.000 1.687 40 R CA -1.453 54.641 56.100 -0.010 0.000 1.655 40 R CB 0.774 31.071 30.300 -0.005 0.000 1.285 40 R HN 0.120 8.386 8.270 -0.007 0.000 0.643 41 P HA 0.242 4.659 4.420 -0.005 0.000 0.273 41 P C -2.062 175.233 177.300 -0.008 0.000 1.250 41 P CA -0.777 62.316 63.100 -0.010 0.000 0.793 41 P CB -0.112 31.578 31.700 -0.017 0.000 1.011 42 P HA -0.008 4.416 4.420 0.006 0.000 0.272 42 P C -1.754 175.515 177.300 -0.052 0.000 1.230 42 P CA 0.117 63.203 63.100 -0.024 0.000 0.788 42 P CB 0.845 32.528 31.700 -0.028 0.000 0.949 43 H N 2.017 120.974 119.070 -0.189 0.000 3.096 43 H HA 0.309 4.653 4.556 -0.353 0.000 0.335 43 H C -1.379 173.856 175.328 -0.154 0.000 0.990 43 H CA 0.009 55.922 56.048 -0.226 0.000 1.393 43 H CB 0.972 30.677 29.762 -0.096 0.000 1.742 43 H HN 0.276 8.556 8.280 -0.001 0.000 0.501 44 H N 4.324 123.200 119.070 -0.323 0.000 2.928 44 H HA 0.431 4.771 4.556 -0.361 0.000 0.371 44 H C -2.446 172.717 175.328 -0.276 0.000 1.186 44 H CA -3.130 52.736 56.048 -0.304 0.000 1.134 44 H CB -0.756 28.936 29.762 -0.117 0.000 1.824 44 H HN 0.116 7.933 8.280 -0.772 0.000 0.554 45 P HA 0.079 4.528 4.420 0.048 0.000 0.273 45 P C -1.488 175.857 177.300 0.075 0.000 1.250 45 P CA -0.568 62.527 63.100 -0.008 0.000 0.793 45 P CB 0.732 32.353 31.700 -0.132 0.000 1.011 46 F N -3.888 116.072 119.950 0.017 0.000 2.432 46 F HA 0.394 4.923 4.527 0.003 0.000 0.329 46 F C -0.692 175.097 175.800 -0.018 0.000 1.076 46 F CA -0.998 57.007 58.000 0.008 0.000 1.018 46 F CB 1.165 40.179 39.000 0.025 0.000 1.201 46 F HN -0.061 8.228 8.300 -0.017 0.000 0.489 47 E N 0.359 120.599 120.200 0.066 0.000 2.459 47 E HA 0.264 4.522 4.350 -0.154 0.000 0.275 47 E C -1.674 174.975 176.600 0.081 0.000 0.987 47 E CA -1.058 55.323 56.400 -0.032 0.000 0.828 47 E CB 2.248 31.896 29.700 -0.086 0.000 1.428 47 E HN 0.245 8.712 8.360 0.178 0.000 0.457 48 T N 0.030 114.602 114.554 0.031 0.000 3.486 48 T HA 0.059 4.428 4.350 0.030 0.000 0.375 48 T C -1.800 172.904 174.700 0.006 0.000 1.459 48 T CA -0.322 61.801 62.100 0.038 0.000 1.151 48 T CB 0.524 69.440 68.868 0.080 0.000 1.336 48 T HN -0.062 8.171 8.240 -0.013 0.000 0.477 49 K N 5.516 125.913 120.400 -0.005 0.000 2.156 49 K HA 0.330 4.638 4.320 -0.021 0.000 0.271 49 K C -0.927 175.662 176.600 -0.018 0.000 0.995 49 K CA -0.513 55.763 56.287 -0.018 0.000 0.890 49 K CB 1.149 33.633 32.500 -0.027 0.000 1.073 49 K HN -0.018 8.230 8.250 -0.003 0.000 0.454 50 D N 1.206 121.592 120.400 -0.024 0.000 2.787 50 D HA 0.146 4.770 4.640 -0.028 0.000 0.246 50 D C -1.133 175.143 176.300 -0.041 0.000 1.150 50 D CA -0.414 53.569 54.000 -0.029 0.000 0.864 50 D CB 1.207 41.993 40.800 -0.023 0.000 1.481 50 D HN 0.083 8.437 8.370 -0.025 0.000 0.509 51 V N 1.696 121.580 119.914 -0.050 0.000 2.851 51 V HA 0.256 4.337 4.120 -0.066 0.000 0.307 51 V C -0.663 175.383 176.094 -0.080 0.000 1.129 51 V CA -0.160 62.102 62.300 -0.064 0.000 0.932 51 V CB 2.426 34.214 31.823 -0.060 0.000 1.024 51 V HN 0.208 8.370 8.190 -0.047 0.000 0.426 52 S N 2.879 118.514 115.700 -0.109 0.000 2.835 52 S HA 0.149 4.546 4.470 -0.121 0.000 0.140 52 S C -0.222 174.239 174.600 -0.231 0.000 1.131 52 S CA -0.199 57.916 58.200 -0.142 0.000 1.110 52 S CB 0.581 63.703 63.200 -0.131 0.000 1.683 52 S HN -0.029 8.214 8.310 -0.112 0.000 0.473 53 E N 1.515 121.591 120.200 -0.208 0.000 2.869 53 E HA 0.060 4.150 4.350 -0.434 0.000 0.258 53 E C -0.575 175.829 176.600 -0.326 0.000 1.354 53 E CA -0.343 55.885 56.400 -0.287 0.000 1.065 53 E CB 1.021 30.654 29.700 -0.112 0.000 1.215 53 E HN -0.207 8.068 8.360 -0.142 0.000 0.659 54 Y N -1.574 118.714 120.300 -0.020 0.000 2.334 54 Y HA 0.116 4.654 4.550 -0.021 0.000 0.325 54 Y C 0.494 176.384 175.900 -0.018 0.000 1.308 54 Y CA -0.349 57.740 58.100 -0.019 0.000 1.389 54 Y CB 0.829 39.281 38.460 -0.013 0.000 1.328 54 Y HN -0.059 8.207 8.280 -0.024 0.000 0.532 55 S N -2.217 113.580 115.700 0.161 0.000 3.585 55 S HA -0.423 4.093 4.470 0.077 0.000 0.638 55 S C -1.038 173.588 174.600 0.042 0.000 2.340 55 S CA -0.105 58.146 58.200 0.084 0.000 2.517 55 S CB 0.248 63.492 63.200 0.073 0.000 0.329 55 S HN -0.027 8.404 8.310 0.202 0.000 1.795 56 c N 3.299 121.918 118.600 0.031 0.000 2.555 56 c HA -0.053 4.525 4.570 0.014 0.000 0.385 56 c C 0.438 174.523 174.090 -0.008 0.000 1.296 56 c CA 0.112 56.450 56.329 0.016 0.000 1.757 56 c CB -1.772 40.754 42.510 0.025 0.000 2.445 56 c HN 0.128 8.380 8.230 0.037 0.000 0.571 57 R N 5.342 125.828 120.500 -0.023 0.000 2.827 57 R HA -0.081 4.229 4.340 -0.050 0.000 0.269 57 R C -1.324 174.934 176.300 -0.070 0.000 1.048 57 R CA 0.775 56.846 56.100 -0.049 0.000 1.173 57 R CB 1.602 31.869 30.300 -0.055 0.000 1.070 57 R HN -0.351 7.908 8.270 -0.019 0.000 0.498 58 E N 0.995 121.122 120.200 -0.122 0.000 2.113 58 E HA 0.369 4.765 4.350 -0.147 -0.134 0.273 58 E C -0.724 175.727 176.600 -0.248 0.000 0.924 58 E CA -0.747 55.532 56.400 -0.201 0.000 0.764 58 E CB 0.813 30.333 29.700 -0.301 0.000 1.104 58 E HN 0.233 8.520 8.360 -0.122 0.000 0.406 59 L N 5.943 127.078 121.223 -0.146 0.000 2.295 59 L HA 0.166 4.405 4.340 -0.168 0.000 0.288 59 L C -1.192 175.631 176.870 -0.079 0.000 1.079 59 L CA -0.731 54.051 54.840 -0.096 0.000 0.830 59 L CB 0.805 42.941 42.059 0.128 0.000 1.200 59 L HN 0.100 8.278 8.230 -0.086 0.000 0.438 60 H N 5.679 124.651 119.070 -0.164 0.000 2.652 60 H HA 0.402 5.154 4.556 -0.011 -0.202 0.298 60 H C -0.410 174.759 175.328 -0.265 0.000 1.076 60 H CA -0.719 55.255 56.048 -0.123 0.000 1.360 60 H CB 0.802 30.499 29.762 -0.108 0.000 1.421 60 H HN 0.234 8.404 8.280 -0.182 0.000 0.464 61 F N 6.195 126.218 119.950 0.122 0.000 2.538 61 F HA 0.351 4.911 4.527 0.056 0.000 0.325 61 F C -1.197 174.622 175.800 0.031 0.000 1.066 61 F CA -1.030 57.005 58.000 0.059 0.000 0.946 61 F CB 4.300 43.325 39.000 0.042 0.000 1.199 61 F HN 0.864 9.278 8.300 0.369 0.108 0.473 62 T N 1.703 116.394 114.554 0.228 0.000 2.861 62 T HA 0.881 5.523 4.350 0.082 -0.242 0.287 62 T C -0.866 173.918 174.700 0.140 0.000 1.003 62 T CA -1.125 61.047 62.100 0.120 0.000 0.977 62 T CB 2.140 71.043 68.868 0.060 0.000 0.996 62 T HN 0.145 8.556 8.240 0.286 0.000 0.448 63 R N 3.335 123.891 120.500 0.093 0.000 2.692 63 R HA 0.249 4.701 4.340 0.187 0.000 0.269 63 R C -2.031 174.322 176.300 0.089 0.000 1.030 63 R CA -0.877 55.299 56.100 0.127 0.000 0.882 63 R CB 4.294 34.653 30.300 0.098 0.000 1.250 63 R HN 0.187 8.481 8.270 0.040 0.000 0.465 64 Y N 1.326 121.639 120.300 0.021 0.000 2.350 64 Y HA -0.003 4.556 4.550 0.014 0.000 0.340 64 Y C -0.588 175.319 175.900 0.012 0.000 1.006 64 Y CA 0.708 58.817 58.100 0.014 0.000 1.166 64 Y CB 0.766 39.233 38.460 0.012 0.000 1.168 64 Y HN 0.247 8.733 8.280 0.343 0.000 0.502 65 V N 5.644 125.596 119.914 0.063 0.000 2.644 65 V HA 0.291 4.446 4.120 0.059 0.000 0.295 65 V C -1.836 174.300 176.094 0.070 0.000 1.053 65 V CA -2.242 60.088 62.300 0.051 0.000 0.987 65 V CB 2.269 34.096 31.823 0.007 0.000 1.006 65 V HN 0.149 8.312 8.190 -0.044 0.000 0.472 66 T N 3.128 117.715 114.554 0.056 0.000 3.032 66 T HA 0.235 4.616 4.350 0.052 0.000 0.312 66 T C -1.918 172.801 174.700 0.032 0.000 1.078 66 T CA -1.186 60.944 62.100 0.050 0.000 1.028 66 T CB 2.162 71.064 68.868 0.057 0.000 1.091 66 T HN -0.123 8.145 8.240 0.046 0.000 0.457 67 D N 5.180 125.596 120.400 0.026 0.000 2.386 67 D HA 0.202 4.853 4.640 0.017 0.000 0.247 67 D C -0.087 176.223 176.300 0.016 0.000 1.336 67 D CA -0.200 53.810 54.000 0.018 0.000 0.976 67 D CB 1.098 41.907 40.800 0.014 0.000 1.257 67 D HN 0.121 8.507 8.370 0.028 0.000 0.570 68 G N 5.110 113.919 108.800 0.014 0.000 2.545 68 G HA2 -0.255 3.711 3.960 0.010 0.000 0.216 68 G HA3 -0.255 3.711 3.960 0.011 0.000 0.216 68 G C -2.053 172.854 174.900 0.013 0.000 1.314 68 G CA -0.489 44.618 45.100 0.012 0.000 0.906 68 G HN -0.157 8.141 8.290 0.014 0.000 0.563 69 P HA 0.105 4.532 4.420 0.010 0.000 0.234 69 P C -0.811 176.498 177.300 0.014 0.000 1.167 69 P CA 0.601 63.708 63.100 0.011 0.000 0.763 69 P CB 0.244 31.949 31.700 0.009 0.000 0.835 70 c N -2.175 116.435 118.600 0.017 0.000 2.345 70 c HA 0.358 5.023 4.570 0.021 -0.082 0.370 70 c C -0.897 173.212 174.090 0.032 0.000 1.209 70 c CA -0.942 55.401 56.329 0.022 0.000 2.133 70 c CB 2.972 45.493 42.510 0.020 0.000 2.293 70 c HN -0.508 7.651 8.230 0.016 0.081 0.544 71 R N -2.274 118.251 120.500 0.043 0.000 2.651 71 R HA 0.301 4.680 4.340 0.065 0.000 0.278 71 R C -1.019 175.332 176.300 0.084 0.000 1.010 71 R CA -1.285 54.855 56.100 0.068 0.000 0.896 71 R CB 4.981 35.326 30.300 0.074 0.000 1.211 71 R HN 0.727 9.020 8.270 0.039 0.000 0.456 72 S N 3.012 118.772 115.700 0.099 0.000 2.546 72 S HA -0.144 4.499 4.470 0.029 -0.156 0.290 72 S C 0.508 175.179 174.600 0.118 0.000 1.290 72 S CA 1.046 59.284 58.200 0.062 0.000 1.069 72 S CB 0.513 63.706 63.200 -0.013 0.000 0.846 72 S HN 0.096 8.469 8.310 0.106 0.000 0.495 73 A N 4.836 127.693 122.820 0.060 0.000 2.066 73 A HA -0.132 4.271 4.320 0.137 0.000 0.218 73 A C -0.702 176.938 177.584 0.094 0.000 1.157 73 A CA 1.974 54.066 52.037 0.091 0.000 0.670 73 A CB 0.498 19.524 19.000 0.043 0.000 0.804 73 A HN 0.252 8.415 8.150 0.022 0.000 0.453 74 K N -4.555 115.791 120.400 -0.090 0.000 2.480 74 K HA 0.547 4.772 4.320 -0.158 0.000 0.258 74 K C -2.536 173.626 176.600 -0.729 0.000 0.990 74 K CA -3.615 52.507 56.287 -0.276 0.000 0.857 74 K CB 2.438 34.856 32.500 -0.136 0.000 1.384 74 K HN -0.411 7.741 8.250 -0.110 0.032 0.446 75 P HA -0.074 3.764 4.420 -1.127 -0.093 0.273 75 P C -1.514 175.582 177.300 -0.340 0.000 1.250 75 P CA -0.520 62.110 63.100 -0.784 0.000 0.793 75 P CB 0.823 32.288 31.700 -0.391 0.000 1.011 76 V N 0.082 119.869 119.914 -0.212 0.000 2.628 76 V HA 0.300 4.350 4.120 -0.117 0.000 0.306 76 V C -1.410 174.652 176.094 -0.054 0.000 1.045 76 V CA -2.552 59.681 62.300 -0.111 0.000 0.905 76 V CB 2.976 34.754 31.823 -0.075 0.000 0.997 76 V HN 0.694 8.658 8.190 -0.197 0.107 0.436 77 T N 8.988 123.511 114.554 -0.051 0.000 2.806 77 T HA 0.430 4.931 4.350 -0.017 -0.161 0.290 77 T C -1.156 173.560 174.700 0.026 0.000 0.966 77 T CA 0.266 62.345 62.100 -0.035 0.000 1.060 77 T CB 0.891 69.688 68.868 -0.119 0.000 0.927 77 T HN 0.276 8.479 8.240 -0.063 0.000 0.485 78 E N 7.295 127.557 120.200 0.104 0.000 2.210 78 E HA 0.344 4.745 4.350 0.086 0.000 0.266 78 E C -2.512 174.223 176.600 0.226 0.000 0.883 78 E CA -1.611 54.870 56.400 0.135 0.000 0.761 78 E CB 3.492 33.267 29.700 0.126 0.000 1.156 78 E HN 0.968 9.305 8.360 0.131 0.101 0.412 79 L N 6.573 127.886 121.223 0.150 0.000 2.287 79 L HA 0.486 5.076 4.340 0.157 -0.157 0.287 79 L C -1.676 175.210 176.870 0.026 0.000 1.022 79 L CA -0.858 54.043 54.840 0.102 0.000 0.814 79 L CB 1.783 43.861 42.059 0.032 0.000 1.217 79 L HN 0.448 8.724 8.230 0.078 0.000 0.420 80 V N 4.453 124.400 119.914 0.055 0.000 2.630 80 V HA 0.209 4.337 4.120 0.014 0.000 0.305 80 V C -1.180 174.916 176.094 0.002 0.000 1.046 80 V CA -1.199 61.129 62.300 0.047 0.000 0.934 80 V CB 3.486 35.392 31.823 0.138 0.000 1.003 80 V HN 0.716 8.832 8.190 0.071 0.117 0.451 81 c N 6.716 125.315 118.600 -0.002 0.000 2.265 81 c HA 0.325 4.883 4.570 -0.021 0.000 0.332 81 c C -0.461 173.642 174.090 0.022 0.000 1.248 81 c CA -0.356 55.971 56.329 -0.004 0.000 1.727 81 c CB -1.257 41.250 42.510 -0.005 0.000 2.348 81 c HN 0.480 8.712 8.230 0.002 0.000 0.519 82 S N 5.154 120.867 115.700 0.021 0.000 2.552 82 S HA 0.146 4.647 4.470 0.052 0.000 0.272 82 S C -1.993 172.622 174.600 0.024 0.000 1.150 82 S CA -0.188 58.035 58.200 0.037 0.000 0.849 82 S CB 3.032 66.261 63.200 0.049 0.000 1.113 82 S HN 0.293 8.605 8.310 0.003 0.000 0.458 83 G N -0.051 108.769 108.800 0.033 0.000 2.343 83 G HA2 0.059 4.012 3.960 -0.012 0.000 0.289 83 G HA3 0.059 4.022 3.960 0.004 0.000 0.289 83 G C -2.566 172.332 174.900 -0.004 0.000 1.295 83 G CA 0.433 45.537 45.100 0.006 0.000 0.869 83 G HN -0.085 8.238 8.290 0.056 0.000 0.522 84 Q N -0.677 119.093 119.800 -0.049 0.000 2.340 84 Q HA 0.403 4.655 4.340 -0.147 0.000 0.276 84 Q C -1.921 174.025 176.000 -0.089 0.000 1.048 84 Q CA -0.520 55.202 55.803 -0.136 0.000 0.832 84 Q CB 2.906 31.502 28.738 -0.236 0.000 1.373 84 Q HN 0.172 8.417 8.270 -0.042 0.000 0.409 85 c N 0.224 118.771 118.600 -0.089 0.000 3.213 85 c HA 0.310 4.875 4.570 -0.007 0.000 0.319 85 c C -0.235 173.837 174.090 -0.031 0.000 1.386 85 c CA -0.732 55.586 56.329 -0.018 0.000 1.494 85 c CB 2.425 44.961 42.510 0.043 0.000 1.905 85 c HN 0.192 8.335 8.230 -0.144 0.000 0.456 86 G N 0.370 109.174 108.800 0.007 0.000 2.528 86 G HA2 0.227 4.178 3.960 -0.015 0.000 0.289 86 G HA3 0.227 4.195 3.960 0.013 0.000 0.289 86 G C -1.276 173.646 174.900 0.037 0.000 1.192 86 G CA -0.920 44.185 45.100 0.009 0.000 0.921 86 G HN 0.177 8.484 8.290 0.027 0.000 0.512 87 P HA -0.150 4.311 4.420 0.069 0.000 0.234 87 P C -0.843 176.478 177.300 0.036 0.000 1.167 87 P CA -0.040 63.089 63.100 0.048 0.000 0.763 87 P CB 0.600 32.323 31.700 0.039 0.000 0.835 88 A N -0.924 121.913 122.820 0.028 0.000 2.237 88 A HA -0.256 4.075 4.320 0.017 0.000 0.281 88 A C -0.781 176.814 177.584 0.019 0.000 1.414 88 A CA 0.346 52.395 52.037 0.022 0.000 0.733 88 A CB -0.980 18.034 19.000 0.023 0.000 1.168 88 A HN -0.131 7.957 8.150 0.027 0.078 0.347 89 R N 0.218 120.727 120.500 0.016 0.000 2.207 89 R HA 0.043 4.393 4.340 0.017 0.000 0.334 89 R C -0.982 175.326 176.300 0.014 0.000 1.013 89 R CA -0.542 55.567 56.100 0.015 0.000 0.858 89 R CB 0.232 30.541 30.300 0.014 0.000 1.094 89 R HN 0.130 8.409 8.270 0.015 0.000 0.457 90 L N 5.792 127.024 121.223 0.015 0.000 2.845 90 L HA 0.156 4.504 4.340 0.013 0.000 0.253 90 L C -1.626 175.253 176.870 0.015 0.000 0.959 90 L CA 0.356 55.203 54.840 0.013 0.000 1.001 90 L CB 1.177 43.241 42.059 0.008 0.000 1.374 90 L HN 0.288 8.527 8.230 0.016 0.000 0.469 91 L N 6.290 127.524 121.223 0.018 0.000 2.313 91 L HA 0.570 4.922 4.340 0.020 0.000 0.268 91 L C -1.092 175.789 176.870 0.018 0.000 1.010 91 L CA -1.326 53.526 54.840 0.021 0.000 0.814 91 L CB 1.084 43.159 42.059 0.027 0.000 1.304 91 L HN -0.069 8.172 8.230 0.018 0.000 0.441 92 P HA -0.016 4.412 4.420 0.013 0.000 0.223 92 P C -1.098 176.212 177.300 0.017 0.000 1.151 92 P CA 1.352 64.461 63.100 0.016 0.000 0.787 92 P CB 0.425 32.134 31.700 0.015 0.000 0.788 93 N N -1.850 116.863 118.700 0.021 0.000 2.606 93 N HA -0.093 4.658 4.740 0.019 0.000 0.208 93 N C -0.726 174.798 175.510 0.024 0.000 1.046 93 N CA 0.058 53.121 53.050 0.022 0.000 0.891 93 N CB 0.592 39.094 38.487 0.025 0.000 1.344 93 N HN -0.369 7.991 8.380 0.023 0.035 0.437 94 A N 0.645 123.482 122.820 0.028 0.000 1.758 94 A HA -0.116 4.225 4.320 0.034 0.000 0.226 94 A C -1.330 176.275 177.584 0.035 0.000 1.327 94 A CA 0.584 52.639 52.037 0.031 0.000 0.681 94 A CB -1.273 17.742 19.000 0.025 0.000 1.173 94 A HN -0.206 7.962 8.150 0.030 0.000 0.234 95 I N -0.937 119.660 120.570 0.045 0.000 3.174 95 I HA 0.322 4.519 4.170 0.044 0.000 0.313 95 I C -0.594 175.564 176.117 0.068 0.000 1.155 95 I CA -1.341 59.990 61.300 0.051 0.000 0.977 95 I CB 2.145 40.174 38.000 0.049 0.000 1.248 95 I HN -0.168 8.072 8.210 0.049 0.000 0.453 96 G N 3.656 112.502 108.800 0.076 0.000 2.145 96 G HA2 0.009 4.049 3.960 0.132 0.000 0.174 96 G HA3 0.009 4.033 3.960 0.107 0.000 0.174 96 G C -1.625 173.338 174.900 0.105 0.000 1.726 96 G CA -0.246 44.918 45.100 0.107 0.000 1.080 96 G HN 0.143 8.472 8.290 0.065 0.000 0.606 97 R N 1.063 121.629 120.500 0.109 0.000 2.107 97 R HA 0.338 4.731 4.340 0.087 0.000 0.195 97 R C 0.539 176.917 176.300 0.130 0.000 1.214 97 R CA 0.639 56.796 56.100 0.095 0.000 1.129 97 R CB 1.365 31.700 30.300 0.059 0.000 1.045 97 R HN 0.487 8.823 8.270 0.110 0.000 0.489 98 G N -0.500 108.368 108.800 0.113 0.000 5.432 98 G HA2 0.142 4.244 3.960 0.236 0.000 0.221 98 G HA3 0.142 4.129 3.960 0.044 0.000 0.221 98 G C -1.612 173.241 174.900 -0.078 0.000 0.809 98 G CA -0.026 45.131 45.100 0.094 0.000 0.700 98 G HN -0.280 8.058 8.290 0.080 0.000 0.367 99 K N 0.803 121.202 120.400 -0.003 0.000 2.535 99 K HA 0.382 4.419 4.320 -0.471 0.000 0.250 99 K C -1.522 175.127 176.600 0.082 0.000 0.948 99 K CA -0.146 56.047 56.287 -0.157 0.000 0.796 99 K CB 1.454 33.898 32.500 -0.092 0.000 1.216 99 K HN -0.454 7.884 8.250 0.146 0.000 0.432 100 W N 2.434 123.788 121.300 0.091 0.000 3.098 100 W HA 0.326 5.065 4.660 0.131 0.000 0.367 100 W C -1.577 175.087 176.519 0.240 0.000 1.163 100 W CA -0.457 56.967 57.345 0.131 0.000 1.113 100 W CB 0.514 30.028 29.460 0.090 0.000 1.501 100 W HN -0.098 7.647 8.180 -0.726 0.000 0.598 101 W N 0.310 121.832 121.300 0.370 0.000 5.420 101 W HA 0.118 4.908 4.660 0.216 0.000 0.158 101 W C -0.702 175.936 176.519 0.198 0.000 1.406 101 W CA 0.214 57.691 57.345 0.220 0.000 1.857 101 W CB 0.129 29.644 29.460 0.092 0.000 0.541 101 W HN -0.289 8.256 8.180 0.609 0.000 1.113 102 R N 1.686 122.149 120.500 -0.062 0.000 2.873 102 R HA -0.012 3.912 4.340 -0.693 0.000 0.267 102 R C -1.412 174.786 176.300 -0.171 0.000 1.009 102 R CA -0.329 55.581 56.100 -0.317 0.000 1.152 102 R CB -0.424 29.781 30.300 -0.159 0.000 1.047 102 R HN -0.424 7.971 8.270 0.208 0.000 0.470 103 P HA 0.052 4.406 4.420 -0.110 0.000 0.271 103 P C -1.022 176.215 177.300 -0.106 0.000 1.218 103 P CA -0.217 62.806 63.100 -0.129 0.000 0.780 103 P CB 0.810 32.437 31.700 -0.122 0.000 0.901 104 S N 0.643 116.277 115.700 -0.111 0.000 2.449 104 S HA 0.121 4.529 4.470 -0.102 0.000 0.237 104 S C 0.344 174.898 174.600 -0.078 0.000 1.214 104 S CA -0.051 58.079 58.200 -0.116 0.000 1.226 104 S CB -0.106 62.982 63.200 -0.187 0.000 0.904 104 S HN 0.042 8.288 8.310 -0.107 0.000 0.490 105 G N 2.149 110.916 108.800 -0.055 0.000 3.818 105 G HA2 0.220 4.160 3.960 -0.033 0.000 0.338 105 G HA3 0.220 4.157 3.960 -0.037 0.000 0.338 105 G C -2.098 172.795 174.900 -0.011 0.000 1.318 105 G CA -1.344 43.735 45.100 -0.034 0.000 1.242 105 G HN -0.272 7.915 8.290 -0.058 0.068 0.493 106 P HA 0.190 4.627 4.420 0.029 0.000 0.271 106 P C -2.141 175.194 177.300 0.058 0.000 1.216 106 P CA -0.613 62.507 63.100 0.034 0.000 0.776 106 P CB 1.057 32.782 31.700 0.041 0.000 0.881 107 D N 0.254 120.694 120.400 0.066 0.000 2.570 107 D HA 0.213 4.863 4.640 0.015 0.000 0.244 107 D C -1.557 174.811 176.300 0.113 0.000 1.178 107 D CA -0.379 53.633 54.000 0.021 0.000 0.881 107 D CB 3.079 43.839 40.800 -0.066 0.000 1.453 107 D HN 0.082 8.492 8.370 0.066 0.000 0.447 108 F N -2.881 117.075 119.950 0.011 0.000 2.588 108 F HA 0.426 4.961 4.527 0.012 0.000 0.310 108 F C -1.450 174.355 175.800 0.009 0.000 1.082 108 F CA -0.389 57.617 58.000 0.010 0.000 0.929 108 F CB 1.581 40.586 39.000 0.009 0.000 1.254 108 F HN 0.016 7.940 8.300 -0.626 0.000 0.455 109 R N 1.319 121.912 120.500 0.156 0.000 2.739 109 R HA 0.149 4.548 4.340 0.098 0.000 0.266 109 R C -2.623 173.733 176.300 0.092 0.000 1.044 109 R CA -0.171 55.973 56.100 0.073 0.000 0.885 109 R CB 3.072 33.355 30.300 -0.029 0.000 1.260 109 R HN -0.106 8.287 8.270 0.204 0.000 0.477 110 c N 1.265 119.910 118.600 0.075 0.000 2.411 110 c HA 0.762 5.453 4.570 0.062 -0.084 0.330 110 c C 0.078 174.193 174.090 0.041 0.000 1.224 110 c CA -2.192 54.173 56.329 0.060 0.000 1.770 110 c CB 1.126 43.673 42.510 0.061 0.000 2.297 110 c HN 0.277 8.548 8.230 0.068 0.000 0.507 111 I N -0.725 119.868 120.570 0.038 0.000 2.499 111 I HA 0.625 4.816 4.170 0.034 0.000 0.296 111 I C -2.151 173.991 176.117 0.042 0.000 0.992 111 I CA -3.054 58.268 61.300 0.037 0.000 1.297 111 I CB 0.233 38.253 38.000 0.035 0.000 1.410 111 I HN 0.603 8.837 8.210 0.040 0.000 0.507 112 P HA 0.090 4.540 4.420 0.051 0.000 0.274 112 P C -0.588 176.763 177.300 0.083 0.000 1.260 112 P CA -0.053 63.096 63.100 0.081 0.000 0.793 112 P CB 0.897 32.688 31.700 0.152 0.000 1.048 113 D N -1.332 119.124 120.400 0.093 0.000 2.798 113 D HA 0.110 4.803 4.640 0.088 0.000 0.308 113 D C -0.625 175.774 176.300 0.164 0.000 1.187 113 D CA -2.018 52.035 54.000 0.088 0.000 1.033 113 D CB 2.290 43.109 40.800 0.031 0.000 1.445 113 D HN -0.159 8.257 8.370 0.077 0.000 0.550 114 R N -0.163 120.413 120.500 0.126 0.000 2.697 114 R HA -0.161 4.307 4.340 0.213 0.000 0.265 114 R C -0.491 175.932 176.300 0.206 0.000 1.009 114 R CA 1.130 57.333 56.100 0.172 0.000 1.099 114 R CB 0.611 30.967 30.300 0.094 0.000 0.965 114 R HN 0.067 8.385 8.270 0.081 0.000 0.428 115 Y N 0.351 120.659 120.300 0.014 0.000 2.565 115 Y HA -0.025 4.633 4.550 0.021 -0.096 0.325 115 Y C -0.056 175.854 175.900 0.017 0.000 1.221 115 Y CA -0.215 57.895 58.100 0.017 0.000 1.316 115 Y CB 1.978 40.445 38.460 0.013 0.000 1.404 115 Y HN -0.021 8.484 8.280 0.376 0.000 0.527 116 R N 0.051 120.642 120.500 0.151 0.000 2.510 116 R HA 0.300 4.692 4.340 0.087 0.000 0.294 116 R C -2.195 174.156 176.300 0.084 0.000 1.056 116 R CA -0.491 55.662 56.100 0.087 0.000 0.918 116 R CB 3.267 33.591 30.300 0.040 0.000 1.187 116 R HN 0.772 9.029 8.270 0.150 0.102 0.437 117 A N 7.101 129.964 122.820 0.072 0.000 2.279 117 A HA 0.499 5.061 4.320 0.066 -0.203 0.306 117 A C -1.119 176.484 177.584 0.031 0.000 1.300 117 A CA -0.907 51.163 52.037 0.055 0.000 0.925 117 A CB 0.290 19.318 19.000 0.046 0.000 1.152 117 A HN 0.458 8.649 8.150 0.068 0.000 0.544 118 Q N 4.016 123.829 119.800 0.023 0.000 2.235 118 Q HA 0.144 4.486 4.340 0.005 0.000 0.256 118 Q C -1.043 174.958 176.000 0.002 0.000 0.951 118 Q CA -1.276 54.530 55.803 0.006 0.000 0.890 118 Q CB 2.921 31.656 28.738 -0.004 0.000 1.279 118 Q HN 0.277 8.565 8.270 0.029 0.000 0.444 119 R N 4.120 124.617 120.500 -0.005 0.000 2.295 119 R HA 0.236 4.711 4.340 -0.003 -0.137 0.324 119 R C -0.901 175.390 176.300 -0.016 0.000 0.968 119 R CA -0.695 55.401 56.100 -0.007 0.000 0.837 119 R CB 1.155 31.453 30.300 -0.004 0.000 1.133 119 R HN 0.324 8.590 8.270 -0.007 0.000 0.450 120 V N 3.769 123.672 119.914 -0.018 0.000 2.716 120 V HA 0.219 4.316 4.120 -0.038 0.000 0.304 120 V C -1.595 174.488 176.094 -0.018 0.000 1.053 120 V CA -1.740 60.543 62.300 -0.028 0.000 0.984 120 V CB 3.751 35.553 31.823 -0.036 0.000 1.021 120 V HN 0.839 8.909 8.190 -0.012 0.113 0.467 121 Q N 6.474 126.262 119.800 -0.020 0.000 2.394 121 Q HA 0.176 4.514 4.340 -0.004 0.000 0.259 121 Q C -1.340 174.661 176.000 0.001 0.000 1.021 121 Q CA -1.009 54.790 55.803 -0.007 0.000 0.805 121 Q CB 0.902 29.636 28.738 -0.007 0.000 1.226 121 Q HN 0.248 8.499 8.270 -0.031 0.000 0.476 122 L N 6.488 127.716 121.223 0.008 0.000 2.312 122 L HA 0.236 4.666 4.340 0.027 -0.073 0.281 122 L C -1.208 175.674 176.870 0.020 0.000 1.070 122 L CA -0.230 54.622 54.840 0.019 0.000 0.805 122 L CB 0.875 42.946 42.059 0.020 0.000 1.174 122 L HN 0.855 8.991 8.230 0.006 0.098 0.434 123 L N 2.244 123.484 121.223 0.028 0.000 2.334 123 L HA 0.436 4.787 4.340 0.018 0.000 0.273 123 L C -1.256 175.627 176.870 0.023 0.000 1.013 123 L CA -1.367 53.487 54.840 0.024 0.000 0.816 123 L CB 2.722 44.797 42.059 0.027 0.000 1.278 123 L HN 0.782 8.933 8.230 0.038 0.102 0.431 124 c N 2.514 121.124 118.600 0.017 0.000 2.595 124 c HA 0.499 5.079 4.570 0.016 0.000 0.338 124 c C -1.419 172.678 174.090 0.012 0.000 1.219 124 c CA -2.472 53.865 56.329 0.014 0.000 1.811 124 c CB 1.435 43.952 42.510 0.011 0.000 2.313 124 c HN 0.422 8.661 8.230 0.015 0.000 0.499 125 P HA 0.030 4.455 4.420 0.008 0.000 0.288 125 P C -0.747 176.557 177.300 0.007 0.000 1.291 125 P CA -0.406 62.698 63.100 0.008 0.000 0.766 125 P CB 0.859 32.563 31.700 0.006 0.000 1.242 126 G N -3.004 105.799 108.800 0.005 0.000 2.661 126 G HA2 -0.210 3.753 3.960 0.005 0.000 0.292 126 G HA3 -0.210 3.753 3.960 0.004 0.000 0.292 126 G C -0.755 174.147 174.900 0.004 0.000 0.781 126 G CA 0.222 45.325 45.100 0.005 0.000 1.860 126 G HN 0.211 8.504 8.290 0.005 0.000 0.512 127 G N 4.416 113.219 108.800 0.004 0.000 3.758 127 G HA2 -0.165 3.797 3.960 0.003 0.000 0.206 127 G HA3 -0.165 3.797 3.960 0.004 0.000 0.206 127 G C -0.952 173.950 174.900 0.004 0.000 0.946 127 G CA 0.252 45.355 45.100 0.004 0.000 0.885 127 G HN -0.065 8.213 8.290 0.005 0.015 0.392 128 E N 0.443 120.646 120.200 0.005 0.000 2.281 128 E HA 0.304 4.657 4.350 0.005 0.000 0.257 128 E C -1.820 174.784 176.600 0.006 0.000 0.971 128 E CA -1.339 55.065 56.400 0.006 0.000 0.839 128 E CB 2.122 31.826 29.700 0.006 0.000 1.238 128 E HN -0.587 7.777 8.360 0.006 0.000 0.412 129 A N -0.193 122.631 122.820 0.006 0.000 2.322 129 A HA 0.434 4.758 4.320 0.007 0.000 0.327 129 A C -2.098 175.491 177.584 0.008 0.000 1.134 129 A CA -2.275 49.766 52.037 0.007 0.000 0.831 129 A CB -0.148 18.855 19.000 0.005 0.000 1.288 129 A HN 0.054 8.208 8.150 0.006 0.000 0.472 130 P HA 0.057 4.552 4.420 0.012 -0.069 0.272 130 P C -1.846 175.459 177.300 0.008 0.000 1.240 130 P CA -0.518 62.588 63.100 0.009 0.000 0.791 130 P CB 0.647 32.353 31.700 0.009 0.000 0.978 131 R N -0.448 120.057 120.500 0.009 0.000 2.626 131 R HA 0.274 4.618 4.340 0.006 0.000 0.274 131 R C -1.671 174.632 176.300 0.006 0.000 1.031 131 R CA -1.113 54.991 56.100 0.007 0.000 0.898 131 R CB 3.991 34.295 30.300 0.008 0.000 1.222 131 R HN 0.454 8.616 8.270 0.010 0.114 0.455 132 A N 2.871 125.693 122.820 0.004 0.000 2.304 132 A HA 0.811 5.323 4.320 0.000 -0.192 0.301 132 A C -0.611 176.974 177.584 0.002 0.000 1.132 132 A CA -1.143 50.895 52.037 0.002 0.000 0.819 132 A CB 1.553 20.553 19.000 0.000 0.000 1.094 132 A HN 0.280 8.432 8.150 0.004 0.000 0.492 133 R N 1.080 121.580 120.500 0.001 0.000 2.514 133 R HA 0.295 4.637 4.340 0.004 0.000 0.296 133 R C -1.178 175.123 176.300 0.001 0.000 1.012 133 R CA -1.131 54.971 56.100 0.002 0.000 0.897 133 R CB 3.406 33.708 30.300 0.004 0.000 1.184 133 R HN 0.352 8.620 8.270 -0.002 0.000 0.440 134 K N 6.567 126.969 120.400 0.005 0.000 2.174 134 K HA 0.458 4.963 4.320 0.006 -0.182 0.275 134 K C -0.470 176.138 176.600 0.013 0.000 1.015 134 K CA -0.392 55.900 56.287 0.008 0.000 0.933 134 K CB 1.241 33.747 32.500 0.010 0.000 1.025 134 K HN 0.336 8.590 8.250 0.005 0.000 0.463 135 V N 1.317 121.242 119.914 0.018 0.000 2.569 135 V HA 0.304 4.441 4.120 0.028 0.000 0.301 135 V C -1.947 174.176 176.094 0.049 0.000 1.044 135 V CA -2.228 60.089 62.300 0.028 0.000 0.874 135 V CB 2.201 34.035 31.823 0.019 0.000 1.002 135 V HN 1.023 9.222 8.190 0.017 0.000 0.424 136 R N 6.790 127.332 120.500 0.070 0.000 2.235 136 R HA 0.077 4.491 4.340 0.123 0.000 0.338 136 R C -0.521 175.882 176.300 0.172 0.000 1.087 136 R CA -0.066 56.111 56.100 0.128 0.000 0.948 136 R CB -0.422 29.952 30.300 0.123 0.000 1.099 136 R HN 0.319 8.625 8.270 0.060 0.000 0.483 137 L N 5.304 126.604 121.223 0.129 0.000 2.362 137 L HA 0.354 4.725 4.340 0.052 0.000 0.271 137 L C -0.799 175.989 176.870 -0.137 0.000 1.002 137 L CA -1.286 53.575 54.840 0.035 0.000 0.818 137 L CB 2.853 44.924 42.059 0.020 0.000 1.298 137 L HN 0.277 8.573 8.230 0.111 0.000 0.420 138 V N 1.991 121.638 119.914 -0.445 0.000 2.720 138 V HA -0.430 2.723 4.120 -1.613 0.000 0.307 138 V C -0.713 175.190 176.094 -0.319 0.000 1.071 138 V CA 2.634 64.455 62.300 -0.799 0.000 1.199 138 V CB 0.532 31.971 31.823 -0.639 0.000 0.900 138 V HN 0.599 8.599 8.190 -0.317 0.000 0.494 139 A N 7.182 129.852 122.820 -0.249 0.000 1.963 139 A HA 0.169 4.467 4.320 -0.036 0.000 0.207 139 A C -0.193 177.357 177.584 -0.057 0.000 1.243 139 A CA 0.606 52.598 52.037 -0.075 0.000 0.728 139 A CB 1.164 20.158 19.000 -0.010 0.000 0.895 139 A HN 0.473 8.417 8.150 -0.343 0.000 0.467 140 S N -3.809 111.843 115.700 -0.079 0.000 2.732 140 S HA 0.278 4.719 4.470 -0.048 0.000 0.293 140 S C -2.224 172.340 174.600 -0.060 0.000 1.159 140 S CA -0.605 57.566 58.200 -0.048 0.000 0.847 140 S CB 3.493 66.687 63.200 -0.010 0.000 1.169 140 S HN -0.454 7.789 8.310 -0.112 0.000 0.501 141 c N -1.553 117.028 118.600 -0.032 0.000 3.279 141 c HA 0.110 4.676 4.570 -0.006 0.000 0.386 141 c C -2.379 171.711 174.090 -0.001 0.000 1.081 141 c CA -0.495 55.823 56.329 -0.019 0.000 1.192 141 c CB 2.843 45.332 42.510 -0.036 0.000 1.552 141 c HN 0.440 8.656 8.230 -0.024 0.000 0.559 142 K N 3.378 123.787 120.400 0.014 0.000 2.385 142 K HA 0.470 4.802 4.320 0.020 0.000 0.248 142 K C -2.296 174.323 176.600 0.031 0.000 0.955 142 K CA -2.877 53.423 56.287 0.022 0.000 0.816 142 K CB 3.074 35.588 32.500 0.024 0.000 1.250 142 K HN 0.598 8.860 8.250 0.019 0.000 0.434 143 c N 1.586 120.209 118.600 0.038 0.000 2.239 143 c HA 0.102 4.704 4.570 0.055 0.000 0.323 143 c C -1.130 172.990 174.090 0.050 0.000 1.205 143 c CA -0.426 55.933 56.329 0.051 0.000 1.584 143 c CB -1.457 41.087 42.510 0.057 0.000 2.201 143 c HN 0.412 8.663 8.230 0.036 0.000 0.475 144 K N 6.772 127.203 120.400 0.051 0.000 2.413 144 K HA 0.256 4.602 4.320 0.044 0.000 0.257 144 K C -0.924 175.709 176.600 0.055 0.000 0.946 144 K CA -0.951 55.364 56.287 0.046 0.000 0.823 144 K CB 2.519 35.041 32.500 0.036 0.000 1.109 144 K HN 0.287 8.569 8.250 0.052 0.000 0.427 145 R N 4.114 124.650 120.500 0.059 0.000 2.784 145 R HA -0.130 4.262 4.340 0.086 0.000 0.266 145 R C -1.256 175.074 176.300 0.051 0.000 1.044 145 R CA 0.513 56.654 56.100 0.067 0.000 1.151 145 R CB 0.579 30.919 30.300 0.067 0.000 1.037 145 R HN 0.382 8.684 8.270 0.053 0.000 0.478 146 L N 1.028 122.279 121.223 0.048 0.000 2.611 146 L HA 0.248 4.615 4.340 0.046 0.000 0.260 146 L C -1.736 175.158 176.870 0.041 0.000 0.924 146 L CA -0.368 54.496 54.840 0.041 0.000 0.901 146 L CB 2.985 45.060 42.059 0.028 0.000 1.369 146 L HN 0.053 8.316 8.230 0.054 0.000 0.415 147 T N 2.423 117.014 114.554 0.061 0.000 2.758 147 T HA 0.307 4.689 4.350 0.053 0.000 0.285 147 T C -0.309 174.469 174.700 0.131 0.000 0.981 147 T CA -0.712 61.434 62.100 0.075 0.000 0.965 147 T CB 0.943 69.852 68.868 0.069 0.000 0.927 147 T HN 0.077 8.358 8.240 0.068 0.000 0.448 148 R N 4.989 125.552 120.500 0.106 0.000 2.608 148 R HA 0.396 4.779 4.340 0.072 0.000 0.255 148 R C -0.900 175.519 176.300 0.197 0.000 1.086 148 R CA -0.343 55.812 56.100 0.092 0.000 1.125 148 R CB 1.291 31.620 30.300 0.049 0.000 1.193 148 R HN 0.591 8.903 8.270 0.070 0.000 0.553 149 F N -3.296 116.684 119.950 0.049 0.000 2.548 149 F HA 0.309 4.792 4.527 -0.073 0.000 0.379 149 F C -1.402 174.390 175.800 -0.014 0.000 1.380 149 F CA -0.814 57.173 58.000 -0.021 0.000 1.095 149 F CB -0.570 38.413 39.000 -0.028 0.000 1.270 149 F HN -0.029 7.959 8.300 -0.520 0.000 0.509 150 H N -1.862 117.070 119.070 -0.230 0.000 2.597 150 H HA 0.688 5.118 4.556 -0.210 0.000 0.370 150 H C -1.290 174.004 175.328 -0.057 0.000 1.281 150 H CA -0.182 55.757 56.048 -0.182 0.000 1.422 150 H CB 1.243 30.886 29.762 -0.198 0.000 1.524 150 H HN -0.019 8.254 8.280 -0.012 0.000 0.607 151 N N -1.589 117.092 118.700 -0.033 0.000 3.243 151 N HA 0.022 4.659 4.740 -0.171 0.000 0.280 151 N C -1.751 173.775 175.510 0.027 0.000 1.545 151 N CA -0.535 52.478 53.050 -0.062 0.000 0.854 151 N CB 1.420 39.886 38.487 -0.035 0.000 1.612 151 N HN 0.255 8.684 8.380 0.080 0.000 0.577 152 Q N -1.117 118.689 119.800 0.009 0.000 2.873 152 Q HA -0.205 4.142 4.340 0.012 0.000 0.029 152 Q C -2.026 173.996 176.000 0.036 0.000 1.603 152 Q CA 0.738 56.553 55.803 0.021 0.000 0.223 152 Q CB 0.414 29.165 28.738 0.022 0.000 2.716 152 Q HN 0.327 8.590 8.270 -0.012 0.000 0.315 153 S N -0.485 115.230 115.700 0.025 0.000 2.645 153 S HA 0.211 4.697 4.470 0.027 0.000 0.268 153 S C -2.031 172.578 174.600 0.015 0.000 1.110 153 S CA -0.409 57.806 58.200 0.026 0.000 0.823 153 S CB 1.579 64.799 63.200 0.033 0.000 1.091 153 S HN 0.004 8.324 8.310 0.017 0.000 0.466 154 E N 0.109 120.317 120.200 0.013 0.000 2.335 154 E HA 0.764 5.121 4.350 0.010 0.000 0.280 154 E C -2.257 174.352 176.600 0.015 0.000 0.918 154 E CA -0.852 55.554 56.400 0.010 0.000 0.765 154 E CB 3.115 32.816 29.700 0.002 0.000 1.218 154 E HN 0.457 8.825 8.360 0.014 0.000 0.425 155 L N 1.754 122.991 121.223 0.023 0.000 2.720 155 L HA 0.147 4.504 4.340 0.028 0.000 0.261 155 L C -1.212 175.694 176.870 0.060 0.000 1.046 155 L CA 0.034 54.895 54.840 0.035 0.000 0.886 155 L CB 1.666 43.747 42.059 0.037 0.000 1.493 155 L HN -0.050 8.193 8.230 0.022 0.000 0.407 156 K N 0.489 120.935 120.400 0.078 0.000 0.847 156 K HA -0.141 4.255 4.320 0.127 0.000 0.800 156 K C -2.179 174.496 176.600 0.125 0.000 2.306 156 K CA 0.919 57.290 56.287 0.140 0.000 1.514 156 K CB 0.079 32.722 32.500 0.238 0.000 2.737 156 K HN -0.038 8.248 8.250 0.059 0.000 0.219 157 D N -1.540 118.983 120.400 0.206 0.000 2.229 157 D HA 0.070 4.691 4.640 -0.031 0.000 0.209 157 D C -1.868 174.543 176.300 0.185 0.000 1.295 157 D CA 0.113 54.168 54.000 0.091 0.000 0.913 157 D CB -0.355 40.472 40.800 0.046 0.000 1.581 157 D HN 0.134 8.711 8.370 0.344 0.000 0.502 158 F N 0.676 120.625 119.950 -0.000 0.000 2.585 158 F HA 0.412 4.939 4.527 -0.001 0.000 0.319 158 F C -1.066 174.734 175.800 0.000 0.000 1.165 158 F CA -0.850 57.150 58.000 -0.000 0.000 0.949 158 F CB 0.762 39.762 39.000 -0.000 0.000 1.218 158 F HN -0.313 7.717 8.300 -0.451 0.000 0.453 159 G N 3.603 112.416 108.800 0.023 0.000 3.222 159 G HA2 0.314 4.216 3.960 -0.097 0.000 0.263 159 G HA3 0.314 4.239 3.960 -0.059 0.000 0.263 159 G C -1.613 173.310 174.900 0.037 0.000 1.312 159 G CA -0.147 44.934 45.100 -0.032 0.000 0.934 159 G HN 0.127 8.466 8.290 0.082 0.000 0.577 160 T N -1.745 112.818 114.554 0.013 0.000 2.648 160 T HA 0.513 4.882 4.350 0.032 0.000 0.304 160 T C -1.764 172.942 174.700 0.009 0.000 1.312 160 T CA -0.582 61.532 62.100 0.024 0.000 1.023 160 T CB 1.926 70.815 68.868 0.035 0.000 1.612 160 T HN 0.524 8.758 8.240 -0.010 0.000 0.487 161 E N -0.249 119.957 120.200 0.011 0.000 2.422 161 E HA 0.168 4.519 4.350 0.003 0.000 0.289 161 E C -2.093 174.512 176.600 0.008 0.000 0.985 161 E CA -0.720 55.683 56.400 0.006 0.000 0.812 161 E CB 1.223 30.925 29.700 0.005 0.000 1.226 161 E HN 0.151 8.520 8.360 0.017 0.000 0.419 162 A N 3.680 126.504 122.820 0.005 0.000 2.422 162 A HA 0.435 4.758 4.320 0.006 0.000 0.302 162 A C -1.059 176.527 177.584 0.004 0.000 1.041 162 A CA -0.007 52.033 52.037 0.006 0.000 0.708 162 A CB 1.614 20.618 19.000 0.007 0.000 1.257 162 A HN 0.230 8.382 8.150 0.003 0.000 0.414 163 A N 1.302 124.124 122.820 0.004 0.000 2.381 163 A HA 0.352 4.673 4.320 0.002 0.000 0.299 163 A C -0.833 176.752 177.584 0.003 0.000 1.049 163 A CA -0.148 51.891 52.037 0.003 0.000 0.715 163 A CB 1.077 20.079 19.000 0.002 0.000 1.222 163 A HN 0.140 8.293 8.150 0.004 0.000 0.428 164 R N 3.069 123.571 120.500 0.002 0.000 2.854 164 R HA 0.550 4.891 4.340 0.003 0.000 0.271 164 R C -2.425 173.876 176.300 0.002 0.000 0.996 164 R CA -1.731 54.371 56.100 0.002 0.000 0.961 164 R CB -0.306 29.996 30.300 0.003 0.000 1.182 164 R HN 0.402 8.673 8.270 0.002 0.000 0.479 165 P HA 0.082 4.503 4.420 0.001 0.000 0.282 165 P C -1.989 175.312 177.300 0.001 0.000 1.286 165 P CA -0.548 62.553 63.100 0.002 0.000 0.777 165 P CB 0.647 32.348 31.700 0.002 0.000 1.184 166 Q N -2.768 117.032 119.800 0.001 0.000 2.476 166 Q HA 0.404 4.745 4.340 0.001 0.000 0.236 166 Q C -1.437 174.563 176.000 0.001 0.000 0.844 166 Q CA -0.606 55.197 55.803 0.001 0.000 0.972 166 Q CB 1.946 30.685 28.738 0.001 0.000 1.498 166 Q HN 0.126 8.397 8.270 0.001 0.000 0.454 167 K N 1.430 121.831 120.400 0.001 0.000 2.316 167 K HA 0.988 5.308 4.320 0.001 0.000 0.234 167 K C -0.781 175.819 176.600 0.001 0.000 1.054 167 K CA -0.998 55.290 56.287 0.001 0.000 0.879 167 K CB 2.333 34.834 32.500 0.001 0.000 1.252 167 K HN 0.706 8.957 8.250 0.001 0.000 0.471 168 G N -0.394 108.406 108.800 0.001 0.000 2.352 168 G HA2 -0.029 3.932 3.960 0.001 0.000 0.302 168 G HA3 -0.029 3.932 3.960 0.001 0.000 0.302 168 G C -1.922 172.978 174.900 0.001 0.000 1.370 168 G CA -0.622 44.478 45.100 0.001 0.000 0.918 168 G HN 0.051 8.342 8.290 0.001 0.000 0.610 169 R N 0.317 120.818 120.500 0.001 0.000 2.795 169 R HA 0.266 4.606 4.340 0.001 0.000 0.275 169 R C -0.561 175.739 176.300 0.001 0.000 0.981 169 R CA -0.540 55.561 56.100 0.001 0.000 0.917 169 R CB 2.025 32.326 30.300 0.001 0.000 1.202 169 R HN 0.087 8.357 8.270 0.001 0.000 0.469 170 K N 2.531 122.932 120.400 0.001 0.000 2.180 170 K HA 0.216 4.536 4.320 0.001 0.000 0.251 170 K C -1.001 175.599 176.600 0.001 0.000 1.014 170 K CA -0.812 55.475 56.287 0.001 0.000 0.913 170 K CB -0.434 32.066 32.500 0.000 0.000 1.008 170 K HN 0.124 8.375 8.250 0.001 0.000 0.490 171 P HA 0.188 4.609 4.420 0.001 0.000 0.275 171 P C -1.369 175.931 177.300 0.001 0.000 1.270 171 P CA -0.205 62.895 63.100 0.001 0.000 0.791 171 P CB 0.832 32.532 31.700 0.001 0.000 1.089 172 R N -1.244 119.257 120.500 0.001 0.000 2.644 172 R HA 0.280 4.620 4.340 0.000 0.000 0.271 172 R C -2.119 174.181 176.300 0.000 0.000 1.687 172 R CA -1.476 54.625 56.100 0.000 0.000 1.655 172 R CB 0.186 30.486 30.300 0.001 0.000 1.285 172 R HN 0.274 8.545 8.270 0.001 0.000 0.643 173 P HA 0.037 4.457 4.420 0.000 0.000 0.268 173 P C -0.610 176.690 177.300 0.000 0.000 1.282 173 P CA -0.141 62.959 63.100 0.000 0.000 0.880 173 P CB -0.163 31.537 31.700 0.000 0.000 0.971 174 R N 3.758 124.259 120.500 0.000 0.000 2.604 174 R HA 0.242 4.582 4.340 0.000 0.000 0.287 174 R C -1.203 175.097 176.300 0.000 0.000 0.970 174 R CA -0.074 56.026 56.100 0.000 0.000 0.946 174 R CB 1.802 32.102 30.300 0.000 0.000 1.127 174 R HN 0.159 8.429 8.270 0.000 0.000 0.473 175 A N 3.469 126.290 122.820 0.000 0.000 2.547 175 A HA 0.087 4.407 4.320 0.000 0.000 0.300 175 A C -1.425 176.160 177.584 0.000 0.000 1.061 175 A CA -0.095 51.942 52.037 0.000 0.000 0.808 175 A CB 1.280 20.280 19.000 0.000 0.000 1.304 175 A HN 0.317 8.467 8.150 0.000 0.000 0.393 176 R N 1.507 122.008 120.500 0.000 0.000 2.480 176 R HA 0.353 4.693 4.340 0.000 0.000 0.306 176 R C -0.739 175.561 176.300 0.000 0.000 0.958 176 R CA 0.083 56.183 56.100 0.000 0.000 0.861 176 R CB 1.156 31.456 30.300 0.000 0.000 1.171 176 R HN 0.421 8.691 8.270 0.000 0.000 0.445 177 S N 3.893 119.593 115.700 0.000 0.000 2.664 177 S HA 0.295 4.766 4.470 0.000 0.000 0.304 177 S C -0.893 173.708 174.600 0.001 0.000 1.099 177 S CA -0.516 57.685 58.200 0.000 0.000 1.003 177 S CB 1.378 64.578 63.200 0.000 0.000 1.092 177 S HN 0.378 8.688 8.310 0.000 0.000 0.525 178 A N 1.986 124.807 122.820 0.001 0.000 2.442 178 A HA 0.210 4.531 4.320 0.001 0.000 0.284 178 A C -1.020 176.564 177.584 0.001 0.000 1.058 178 A CA 0.003 52.040 52.037 0.001 0.000 0.738 178 A CB 1.413 20.413 19.000 0.001 0.000 1.242 178 A HN 0.251 8.401 8.150 0.001 0.000 0.421 179 K N 4.473 124.873 120.400 0.001 0.000 2.292 179 K HA 0.035 4.355 4.320 0.001 0.000 0.290 179 K C -0.840 175.761 176.600 0.001 0.000 1.083 179 K CA -0.064 56.224 56.287 0.001 0.000 0.918 179 K CB -0.075 32.425 32.500 0.001 0.000 1.089 179 K HN 0.369 8.619 8.250 0.001 0.000 0.473 180 A N 3.891 126.712 122.820 0.001 0.000 2.455 180 A HA 0.298 4.619 4.320 0.001 0.000 0.300 180 A C -1.269 176.315 177.584 0.001 0.000 1.040 180 A CA 0.239 52.277 52.037 0.001 0.000 0.697 180 A CB 1.551 20.551 19.000 0.001 0.000 1.265 180 A HN 0.318 8.468 8.150 0.001 0.000 0.407 181 N N 0.250 118.950 118.700 0.001 0.000 2.504 181 N HA 0.091 4.831 4.740 0.001 0.000 0.268 181 N C -1.618 173.893 175.510 0.001 0.000 1.184 181 N CA -0.046 53.005 53.050 0.001 0.000 0.875 181 N CB 1.558 40.046 38.487 0.001 0.000 1.630 181 N HN 0.187 8.568 8.380 0.001 0.000 0.486 182 Q N 0.689 120.490 119.800 0.001 0.000 2.195 182 Q HA 0.886 5.227 4.340 0.001 0.000 0.250 182 Q C -1.959 174.041 176.000 0.001 0.000 0.988 182 Q CA -0.821 54.983 55.803 0.001 0.000 0.911 182 Q CB 1.989 30.728 28.738 0.001 0.000 1.258 182 Q HN 0.543 8.814 8.270 0.001 0.000 0.475 183 A N 1.056 123.877 122.820 0.002 0.000 2.594 183 A HA 0.138 4.459 4.320 0.001 0.000 0.296 183 A C -2.058 175.527 177.584 0.002 0.000 1.061 183 A CA -0.327 51.711 52.037 0.002 0.000 0.689 183 A CB 1.469 20.470 19.000 0.001 0.000 1.280 183 A HN 0.188 8.339 8.150 0.002 0.000 0.406 184 E N 1.042 121.244 120.200 0.002 0.000 2.234 184 E HA 0.327 4.679 4.350 0.003 0.000 0.266 184 E C -1.279 175.322 176.600 0.003 0.000 0.877 184 E CA -0.038 56.364 56.400 0.003 0.000 0.758 184 E CB 1.445 31.147 29.700 0.003 0.000 1.170 184 E HN 0.230 8.591 8.360 0.002 0.000 0.415 185 L N 4.738 125.963 121.223 0.004 0.000 3.443 185 L HA 0.170 4.512 4.340 0.003 0.000 0.339 185 L C -0.989 175.885 176.870 0.006 0.000 1.326 185 L CA 0.600 55.442 54.840 0.004 0.000 0.920 185 L CB 1.171 43.232 42.059 0.003 0.000 1.364 185 L HN 0.310 8.543 8.230 0.004 0.000 0.612 186 E N 1.065 121.269 120.200 0.007 0.000 1.861 186 E HA 0.044 4.400 4.350 0.011 0.000 0.263 186 E C -0.349 176.258 176.600 0.012 0.000 1.137 186 E CA -0.580 55.826 56.400 0.010 0.000 0.944 186 E CB -0.531 29.175 29.700 0.010 0.000 1.092 186 E HN 0.264 8.628 8.360 0.006 0.000 0.420 187 N N 3.098 121.806 118.700 0.013 0.000 2.263 187 N HA -0.001 4.745 4.740 0.010 0.000 0.239 187 N C -0.546 174.979 175.510 0.026 0.000 1.317 187 N CA 0.080 53.138 53.050 0.014 0.000 0.909 187 N CB 0.717 39.211 38.487 0.011 0.000 1.171 187 N HN -0.021 8.367 8.380 0.012 0.000 0.492 188 A N -2.948 119.891 122.820 0.031 0.000 2.567 188 A HA 0.324 4.687 4.320 0.071 0.000 0.289 188 A C -2.108 175.527 177.584 0.084 0.000 1.177 188 A CA -0.449 51.624 52.037 0.062 0.000 0.694 188 A CB 0.885 19.919 19.000 0.056 0.000 1.292 188 A HN 0.559 8.719 8.150 0.017 0.000 0.425 189 Y N 0.000 120.300 120.300 0.000 0.000 2.660 189 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 189 Y CA 0.000 58.100 58.100 0.000 0.000 1.940 189 Y CB 0.000 38.460 38.460 0.000 0.000 1.050 189 Y HN 0.000 8.415 8.280 0.226 0.000 0.758