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 2sbt_1_A DATA FIRST_RESID 1 DATA SEQUENCE AQSVPYGVSQ IKAPALHSQG YTGSNVKVAV IDSGIDSSHP DLKVAGGASM DATA SEQUENCE VPSETPNFQD DNSHGTHVAG TVAALNNSIG VLGVAPSSAL YAVKVLGDAG DATA SEQUENCE SGQYSWIING IEWAIANNMD VINMSLGGPS GSAALKAAVD KAVASGVVVV DATA SEQUENCE AAAGNEGSTG SSSTVGYPGK YPSVIAVGAV DSSNQRASFS SVGPELDVMA DATA SEQUENCE PGVSIQSTLP GNKYGAYNGT SMASPHVAGA AALILSKHPN WTNTQVRSSL DATA SEQUENCE QNTTTKLGDS FYYGKGLINV QAAAQ 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.561 177.584 -0.039 0.000 1.274 1 A CA 0.000 52.016 52.037 -0.035 0.000 0.836 1 A CB 0.000 18.970 19.000 -0.049 0.000 0.831 2 Q N -1.900 117.869 119.800 -0.051 0.000 7.926 2 Q HA -0.111 4.230 4.340 0.001 0.000 0.368 2 Q C 0.433 176.398 176.000 -0.059 0.000 0.945 2 Q CA 0.873 56.646 55.803 -0.050 0.000 0.543 2 Q CB -1.561 27.157 28.738 -0.032 0.000 0.163 2 Q HN 2.075 10.345 8.270 -0.000 0.000 0.901 3 S N 1.372 117.036 115.700 -0.060 0.000 2.930 3 S HA 0.034 4.504 4.470 0.001 0.000 0.351 3 S C 0.085 174.641 174.600 -0.073 0.000 1.210 3 S CA 0.492 58.656 58.200 -0.061 0.000 0.993 3 S CB 0.448 63.607 63.200 -0.067 0.000 0.682 3 S HN 0.222 8.532 8.310 -0.000 0.000 0.484 4 V N 7.102 126.995 119.914 -0.035 0.000 2.417 4 V HA 0.460 4.581 4.120 0.001 0.000 0.291 4 V C -1.914 174.193 176.094 0.021 0.000 1.024 4 V CA -1.864 60.428 62.300 -0.014 0.000 0.861 4 V CB 1.506 33.342 31.823 0.022 0.000 0.985 4 V HN 0.964 9.154 8.190 -0.000 0.000 0.436 5 P HA -0.034 4.386 4.420 -0.000 0.000 0.262 5 P C 0.333 177.680 177.300 0.077 0.000 1.199 5 P CA 0.102 63.236 63.100 0.056 0.000 0.763 5 P CB 0.091 31.798 31.700 0.011 0.000 0.790 6 Y N 3.022 123.345 120.300 0.039 0.000 2.569 6 Y HA -0.083 4.467 4.550 0.001 0.000 0.293 6 Y C 2.007 177.950 175.900 0.071 0.000 1.144 6 Y CA 0.968 59.094 58.100 0.043 0.000 1.321 6 Y CB -1.145 37.334 38.460 0.032 0.000 0.982 6 Y HN 0.393 8.673 8.280 -0.000 0.000 0.558 7 G N 1.638 110.021 108.800 -0.694 0.000 2.808 7 G HA2 -0.460 3.501 3.960 0.001 0.000 0.225 7 G HA3 -0.460 3.501 3.960 0.001 0.000 0.225 7 G C 1.670 176.455 174.900 -0.192 0.000 1.210 7 G CA 3.061 47.819 45.100 -0.570 0.000 0.777 7 G HN 0.743 9.033 8.290 -0.000 0.000 0.640 8 V N -2.206 117.713 119.914 0.009 0.000 2.249 8 V HA -0.024 4.097 4.120 0.001 0.000 0.239 8 V C 2.374 178.466 176.094 -0.002 0.000 1.038 8 V CA 2.563 64.895 62.300 0.054 0.000 1.005 8 V CB -0.957 30.916 31.823 0.083 0.000 0.646 8 V HN 0.417 8.607 8.190 -0.000 0.000 0.455 9 S N -0.053 115.657 115.700 0.017 0.000 2.726 9 S HA -0.514 3.956 4.470 0.001 0.000 0.346 9 S C 1.896 176.527 174.600 0.050 0.000 1.423 9 S CA 2.844 61.072 58.200 0.048 0.000 1.116 9 S CB -0.738 62.531 63.200 0.115 0.000 0.892 9 S HN 0.947 9.257 8.310 -0.000 0.000 0.475 10 Q N -0.059 119.767 119.800 0.044 0.000 2.398 10 Q HA 0.200 4.541 4.340 0.001 0.000 0.204 10 Q C 1.856 177.864 176.000 0.013 0.000 0.932 10 Q CA 1.060 56.894 55.803 0.052 0.000 0.916 10 Q CB 0.030 28.821 28.738 0.088 0.000 1.024 10 Q HN 0.863 9.133 8.270 -0.000 0.000 0.504 11 I N -1.945 118.623 120.570 -0.004 0.000 3.968 11 I HA 0.239 4.410 4.170 0.001 0.000 0.328 11 I C -0.707 175.405 176.117 -0.008 0.000 1.290 11 I CA 0.108 61.406 61.300 -0.003 0.000 1.163 11 I CB 0.612 38.614 38.000 0.003 0.000 1.024 11 I HN -0.014 8.196 8.210 -0.000 0.000 0.413 12 K N 1.070 121.457 120.400 -0.021 0.000 3.269 12 K HA -0.047 4.273 4.320 0.001 0.000 0.283 12 K C 0.174 176.719 176.600 -0.092 0.000 1.207 12 K CA 0.619 56.883 56.287 -0.038 0.000 0.821 12 K CB -1.602 30.886 32.500 -0.019 0.000 1.366 12 K HN 0.525 8.775 8.250 -0.000 0.000 0.476 13 A N 0.524 123.260 122.820 -0.140 0.000 1.909 13 A HA 0.222 4.543 4.320 0.001 0.000 0.210 13 A C -1.008 176.153 177.584 -0.706 0.000 1.273 13 A CA 0.553 52.395 52.037 -0.324 0.000 0.654 13 A CB -0.495 18.379 19.000 -0.211 0.000 0.945 13 A HN 0.312 8.462 8.150 -0.000 0.000 0.471 14 P HA -0.210 4.210 4.420 -0.000 0.000 0.220 14 P C 1.410 178.611 177.300 -0.166 0.000 1.142 14 P CA 1.866 64.787 63.100 -0.300 0.000 0.801 14 P CB -0.196 31.492 31.700 -0.020 0.000 0.764 15 A N 0.170 122.882 122.820 -0.179 0.000 1.823 15 A HA -0.170 4.151 4.320 0.001 0.000 0.214 15 A C 2.024 179.612 177.584 0.006 0.000 1.227 15 A CA 1.453 53.454 52.037 -0.060 0.000 0.616 15 A CB -1.599 17.375 19.000 -0.044 0.000 0.874 15 A HN 0.036 8.186 8.150 -0.000 0.000 0.455 16 L N 0.275 121.497 121.223 -0.002 0.000 2.137 16 L HA -0.249 4.092 4.340 0.001 0.000 0.213 16 L C 2.233 179.244 176.870 0.235 0.000 1.085 16 L CA 2.080 57.013 54.840 0.154 0.000 0.760 16 L CB -1.975 40.148 42.059 0.107 0.000 0.893 16 L HN 0.587 8.817 8.230 -0.000 0.000 0.434 17 H N -1.608 117.504 119.070 0.069 0.000 2.460 17 H HA -0.133 4.424 4.556 0.001 0.000 0.297 17 H C 2.106 177.433 175.328 -0.002 0.000 1.103 17 H CA 0.826 56.891 56.048 0.028 0.000 1.292 17 H CB 0.402 30.173 29.762 0.016 0.000 1.376 17 H HN 0.384 8.664 8.280 -0.000 0.000 0.531 18 S N 0.587 116.370 115.700 0.139 0.000 2.309 18 S HA -0.148 4.322 4.470 0.001 0.000 0.206 18 S C 1.890 176.481 174.600 -0.015 0.000 1.028 18 S CA 0.529 58.758 58.200 0.048 0.000 0.972 18 S CB -0.402 62.826 63.200 0.046 0.000 0.961 18 S HN 0.394 8.704 8.310 -0.000 0.000 0.449 19 Q N 0.400 120.198 119.800 -0.002 0.000 2.294 19 Q HA -0.190 4.151 4.340 0.001 0.000 0.215 19 Q C 1.498 177.300 176.000 -0.330 0.000 1.000 19 Q CA 1.540 57.269 55.803 -0.122 0.000 0.916 19 Q CB -0.320 28.455 28.738 0.062 0.000 0.932 19 Q HN 0.800 9.070 8.270 -0.000 0.000 0.420 20 G N -2.706 105.897 108.800 -0.329 0.000 2.738 20 G HA2 -0.179 3.781 3.960 0.001 0.000 0.195 20 G HA3 -0.179 3.781 3.960 0.001 0.000 0.195 20 G C -0.660 174.063 174.900 -0.295 0.000 1.001 20 G CA -0.455 44.442 45.100 -0.339 0.000 0.759 20 G HN 0.154 8.444 8.290 -0.000 0.000 0.494 21 Y N 2.648 122.946 120.300 -0.003 0.000 2.784 21 Y HA 0.418 4.968 4.550 0.001 0.000 0.355 21 Y C 1.490 177.422 175.900 0.052 0.000 1.198 21 Y CA 0.703 58.802 58.100 -0.001 0.000 1.588 21 Y CB 0.586 39.040 38.460 -0.010 0.000 1.220 21 Y HN 0.177 8.457 8.280 -0.000 0.000 0.517 22 T N -0.407 114.226 114.554 0.133 0.000 3.483 22 T HA 0.384 4.734 4.350 0.001 0.000 0.258 22 T C 0.959 175.688 174.700 0.048 0.000 1.013 22 T CA -0.192 61.941 62.100 0.054 0.000 1.078 22 T CB -0.632 68.207 68.868 -0.049 0.000 1.111 22 T HN 0.914 9.154 8.240 -0.000 0.000 0.538 23 G N 1.842 110.701 108.800 0.098 0.000 2.321 23 G HA2 -0.265 3.696 3.960 0.001 0.000 0.287 23 G HA3 -0.265 3.696 3.960 0.001 0.000 0.287 23 G C 0.055 174.983 174.900 0.047 0.000 1.018 23 G CA 0.292 45.434 45.100 0.070 0.000 0.855 23 G HN 1.035 9.325 8.290 -0.000 0.000 0.507 24 S N -0.534 115.193 115.700 0.045 0.000 2.499 24 S HA 0.604 5.074 4.470 0.001 0.000 0.275 24 S C 0.886 175.507 174.600 0.034 0.000 1.257 24 S CA 0.116 58.333 58.200 0.029 0.000 1.050 24 S CB 1.691 64.898 63.200 0.012 0.000 0.937 24 S HN 0.753 9.063 8.310 -0.000 0.000 0.490 25 N N 0.017 118.740 118.700 0.038 0.000 2.475 25 N HA -0.159 4.582 4.740 0.001 0.000 0.152 25 N C -0.766 174.779 175.510 0.059 0.000 1.661 25 N CA 0.249 53.324 53.050 0.041 0.000 3.280 25 N CB -0.749 37.758 38.487 0.034 0.000 1.500 25 N HN 0.432 8.812 8.380 -0.000 0.000 1.126 26 V N 3.484 123.437 119.914 0.065 0.000 2.649 26 V HA 0.305 4.426 4.120 0.001 0.000 0.292 26 V C 0.147 176.316 176.094 0.127 0.000 1.055 26 V CA 0.083 62.433 62.300 0.083 0.000 1.023 26 V CB 1.311 33.178 31.823 0.073 0.000 0.992 26 V HN 0.107 8.297 8.190 -0.000 0.000 0.480 27 K N 3.322 123.817 120.400 0.160 0.000 2.159 27 K HA 0.762 5.082 4.320 0.001 0.000 0.266 27 K C -1.323 175.407 176.600 0.217 0.000 0.975 27 K CA -0.726 55.734 56.287 0.289 0.000 0.865 27 K CB 1.815 34.487 32.500 0.287 0.000 1.087 27 K HN 0.373 8.623 8.250 -0.000 0.000 0.446 28 V N 1.464 121.534 119.914 0.260 0.000 2.448 28 V HA 0.445 4.565 4.120 0.001 0.000 0.295 28 V C -0.268 175.955 176.094 0.215 0.000 1.025 28 V CA -1.092 61.315 62.300 0.179 0.000 0.859 28 V CB 1.458 33.350 31.823 0.116 0.000 0.988 28 V HN 0.933 9.123 8.190 -0.000 0.000 0.431 29 A N 4.527 127.451 122.820 0.174 0.000 2.316 29 A HA 0.641 4.962 4.320 0.001 0.000 0.311 29 A C -0.304 177.353 177.584 0.123 0.000 1.339 29 A CA -0.287 51.854 52.037 0.174 0.000 0.960 29 A CB 0.371 19.475 19.000 0.173 0.000 1.152 29 A HN 0.724 8.874 8.150 -0.000 0.000 0.547 30 V N 5.852 125.837 119.914 0.118 0.000 2.259 30 V HA 0.197 4.318 4.120 0.001 0.000 0.267 30 V C -0.193 175.949 176.094 0.079 0.000 1.051 30 V CA -0.030 62.323 62.300 0.089 0.000 0.830 30 V CB 0.159 32.026 31.823 0.072 0.000 1.080 30 V HN 0.723 8.913 8.190 -0.000 0.000 0.467 31 I N 3.844 124.462 120.570 0.080 0.000 2.301 31 I HA 0.621 4.792 4.170 0.001 0.000 0.292 31 I C -0.070 176.092 176.117 0.076 0.000 1.046 31 I CA 0.267 61.604 61.300 0.062 0.000 1.282 31 I CB 0.771 38.809 38.000 0.063 0.000 1.409 31 I HN 0.441 8.651 8.210 -0.000 0.000 0.484 32 D N 2.097 122.540 120.400 0.072 0.000 3.182 32 D HA 0.102 4.743 4.640 0.001 0.000 0.352 32 D C 0.877 177.221 176.300 0.073 0.000 1.421 32 D CA 0.047 54.106 54.000 0.099 0.000 0.912 32 D CB 0.964 41.874 40.800 0.184 0.000 1.461 32 D HN 0.333 8.703 8.370 -0.000 0.000 0.548 33 S N -0.560 115.192 115.700 0.087 0.000 2.469 33 S HA 0.378 4.849 4.470 0.001 0.000 0.238 33 S C 1.035 175.672 174.600 0.063 0.000 0.998 33 S CA 1.490 59.730 58.200 0.067 0.000 0.957 33 S CB -0.277 62.983 63.200 0.100 0.000 0.764 33 S HN 0.941 9.251 8.310 -0.000 0.000 0.514 34 G N 0.203 109.050 108.800 0.079 0.000 2.350 34 G HA2 0.344 4.305 3.960 0.001 0.000 0.282 34 G HA3 0.344 4.305 3.960 0.001 0.000 0.282 34 G C -1.766 173.183 174.900 0.082 0.000 1.314 34 G CA -0.567 44.580 45.100 0.078 0.000 0.915 34 G HN 0.894 9.184 8.290 -0.000 0.000 0.499 35 I N -1.811 118.797 120.570 0.063 0.000 2.785 35 I HA 0.404 4.574 4.170 0.001 0.000 0.293 35 I C -1.805 174.299 176.117 -0.021 0.000 1.446 35 I CA -1.042 60.261 61.300 0.005 0.000 1.028 35 I CB 2.242 40.219 38.000 -0.038 0.000 1.349 35 I HN 0.382 8.592 8.210 -0.000 0.000 0.438 36 D N 2.308 122.688 120.400 -0.033 0.000 2.351 36 D HA 0.287 4.928 4.640 0.001 0.000 0.251 36 D C 0.657 176.903 176.300 -0.090 0.000 1.137 36 D CA 0.437 54.409 54.000 -0.048 0.000 0.879 36 D CB 1.902 42.668 40.800 -0.057 0.000 1.181 36 D HN 0.542 8.912 8.370 -0.000 0.000 0.448 37 S N 0.809 116.449 115.700 -0.100 0.000 2.387 37 S HA -0.077 4.393 4.470 0.001 0.000 0.221 37 S C 1.962 176.532 174.600 -0.050 0.000 1.041 37 S CA 0.474 58.595 58.200 -0.131 0.000 0.959 37 S CB 0.084 63.214 63.200 -0.117 0.000 0.843 37 S HN 0.512 8.822 8.310 -0.000 0.000 0.488 38 S N 0.597 116.283 115.700 -0.023 0.000 2.406 38 S HA -0.247 4.224 4.470 0.001 0.000 0.242 38 S C 0.770 175.390 174.600 0.033 0.000 1.079 38 S CA 1.190 59.383 58.200 -0.011 0.000 1.133 38 S CB -0.948 62.231 63.200 -0.035 0.000 1.005 38 S HN 0.717 9.027 8.310 -0.000 0.000 0.443 39 H N 3.818 122.834 119.070 -0.091 0.000 3.216 39 H HA -0.026 4.531 4.556 0.001 0.000 0.283 39 H C -1.389 173.893 175.328 -0.077 0.000 0.921 39 H CA -1.192 54.793 56.048 -0.105 0.000 1.419 39 H CB 0.724 30.400 29.762 -0.144 0.000 1.460 39 H HN 0.138 8.418 8.280 -0.000 0.000 0.553 40 P HA -0.210 4.210 4.420 -0.000 0.000 0.219 40 P C 0.241 177.494 177.300 -0.078 0.000 1.145 40 P CA 1.438 64.544 63.100 0.010 0.000 0.813 40 P CB 0.254 31.980 31.700 0.045 0.000 0.771 41 D N -0.735 119.518 120.400 -0.245 0.000 2.943 41 D HA 0.381 5.022 4.640 0.001 0.000 0.347 41 D C -0.693 175.457 176.300 -0.250 0.000 1.305 41 D CA -0.132 53.728 54.000 -0.235 0.000 0.870 41 D CB -0.273 40.381 40.800 -0.243 0.000 1.081 41 D HN -0.070 8.300 8.370 -0.000 0.000 0.492 42 L N 0.619 121.739 121.223 -0.172 0.000 2.545 42 L HA 0.481 4.821 4.340 0.001 0.000 0.258 42 L C -1.047 175.750 176.870 -0.123 0.000 0.942 42 L CA -0.761 53.997 54.840 -0.136 0.000 0.855 42 L CB 2.623 44.621 42.059 -0.101 0.000 1.374 42 L HN -0.099 8.131 8.230 -0.000 0.000 0.411 43 K N 2.320 122.638 120.400 -0.136 0.000 2.619 43 K HA 0.489 4.809 4.320 0.001 0.000 0.251 43 K C -1.356 175.128 176.600 -0.193 0.000 0.987 43 K CA -0.467 55.731 56.287 -0.148 0.000 0.844 43 K CB 2.371 34.802 32.500 -0.115 0.000 1.237 43 K HN 0.378 8.628 8.250 -0.000 0.000 0.447 44 V N 1.722 121.481 119.914 -0.259 0.000 2.383 44 V HA 0.404 4.525 4.120 0.001 0.000 0.275 44 V C 1.074 176.969 176.094 -0.332 0.000 1.036 44 V CA -0.414 61.670 62.300 -0.360 0.000 0.889 44 V CB 0.896 32.347 31.823 -0.620 0.000 0.985 44 V HN 0.867 9.057 8.190 -0.000 0.000 0.459 45 A N 3.630 126.191 122.820 -0.432 0.000 1.898 45 A HA 0.602 4.923 4.320 0.001 0.000 0.214 45 A C 1.306 178.707 177.584 -0.304 0.000 1.183 45 A CA 1.352 53.102 52.037 -0.477 0.000 0.622 45 A CB -0.344 17.991 19.000 -1.108 0.000 0.824 45 A HN 1.527 9.677 8.150 -0.000 0.000 0.444 46 G N -3.870 104.792 108.800 -0.231 0.000 2.435 46 G HA2 0.605 4.565 3.960 0.001 0.000 0.296 46 G HA3 0.605 4.565 3.960 0.001 0.000 0.296 46 G C -0.301 174.889 174.900 0.484 0.000 1.240 46 G CA 0.094 45.338 45.100 0.239 0.000 0.872 46 G HN 1.615 9.905 8.290 -0.000 0.000 0.480 47 G N -2.140 106.966 108.800 0.510 0.000 2.341 47 G HA2 0.718 4.678 3.960 0.001 0.000 0.293 47 G HA3 0.718 4.678 3.960 0.001 0.000 0.293 47 G C -1.335 173.427 174.900 -0.229 0.000 1.298 47 G CA 0.785 45.937 45.100 0.085 0.000 0.868 47 G HN 2.334 10.623 8.290 -0.000 0.000 0.540 48 A N -0.579 121.946 122.820 -0.492 0.000 2.511 48 A HA 0.819 5.140 4.320 0.001 0.000 0.292 48 A C -0.270 177.068 177.584 -0.410 0.000 1.045 48 A CA 0.607 52.372 52.037 -0.454 0.000 0.870 48 A CB 1.181 19.874 19.000 -0.511 0.000 1.361 48 A HN 1.985 10.135 8.150 -0.000 0.000 0.396 49 S N 0.982 116.502 115.700 -0.300 0.000 2.617 49 S HA 0.609 5.080 4.470 0.001 0.000 0.269 49 S C 0.651 175.114 174.600 -0.229 0.000 1.292 49 S CA -0.097 57.952 58.200 -0.252 0.000 1.010 49 S CB 0.554 63.610 63.200 -0.240 0.000 0.944 49 S HN 0.636 8.946 8.310 -0.000 0.000 0.536 50 M N 2.749 122.206 119.600 -0.238 0.000 2.249 50 M HA 0.388 4.868 4.480 0.001 0.000 0.318 50 M C -0.442 175.599 176.300 -0.433 0.000 0.930 50 M CA 0.131 55.296 55.300 -0.225 0.000 1.080 50 M CB 0.882 33.414 32.600 -0.115 0.000 1.797 50 M HN 0.397 8.687 8.290 -0.000 0.000 0.619 51 V N 2.253 121.815 119.914 -0.586 0.000 2.531 51 V HA 0.627 4.748 4.120 0.001 0.000 0.301 51 V C -2.364 173.388 176.094 -0.569 0.000 1.034 51 V CA -1.898 59.807 62.300 -0.991 0.000 0.865 51 V CB 2.109 32.700 31.823 -2.053 0.000 0.995 51 V HN 0.088 8.278 8.190 -0.000 0.000 0.424 52 P HA 0.238 4.658 4.420 -0.000 0.000 0.237 52 P C 0.059 177.250 177.300 -0.182 0.000 1.701 52 P CA 0.329 63.286 63.100 -0.237 0.000 0.955 52 P CB 0.227 31.833 31.700 -0.157 0.000 1.937 53 S N -0.147 115.426 115.700 -0.211 0.000 3.884 53 S HA 0.091 4.562 4.470 0.001 0.000 0.174 53 S C 0.058 174.594 174.600 -0.108 0.000 0.872 53 S CA -0.278 57.851 58.200 -0.119 0.000 1.015 53 S CB -0.012 63.137 63.200 -0.085 0.000 1.395 53 S HN 0.252 8.562 8.310 -0.000 0.000 0.737 54 E N 2.536 122.671 120.200 -0.109 0.000 2.029 54 E HA 0.478 4.828 4.350 0.001 0.000 0.276 54 E C -0.496 176.024 176.600 -0.133 0.000 1.163 54 E CA 0.204 56.546 56.400 -0.097 0.000 0.909 54 E CB 0.254 29.913 29.700 -0.069 0.000 1.046 54 E HN 0.581 8.941 8.360 -0.000 0.000 0.406 55 T N 2.908 117.385 114.554 -0.127 0.000 3.418 55 T HA 0.254 4.605 4.350 0.001 0.000 0.315 55 T C -0.946 173.669 174.700 -0.141 0.000 1.447 55 T CA -1.396 60.611 62.100 -0.154 0.000 1.641 55 T CB 0.055 nan 68.868 nan 0.000 0.904 55 T HN 0.083 8.323 8.240 -0.000 0.000 0.640 56 P HA -0.276 4.144 4.420 -0.000 0.000 0.224 56 P C 0.827 177.784 177.300 -0.572 0.000 1.153 56 P CA 2.378 65.230 63.100 -0.414 0.000 0.947 56 P CB -0.081 31.475 31.700 -0.240 0.000 0.790 57 N N -5.720 112.829 118.700 -0.251 0.000 2.952 57 N HA -0.208 4.532 4.740 0.001 0.000 0.245 57 N C 0.244 175.879 175.510 0.208 0.000 1.029 57 N CA 1.003 53.994 53.050 -0.098 0.000 0.870 57 N CB -2.478 35.910 38.487 -0.165 0.000 1.121 57 N HN 0.341 8.721 8.380 -0.000 0.000 0.559 58 F N 0.464 120.383 119.950 -0.053 0.000 2.695 58 F HA 0.108 4.636 4.527 0.002 0.000 0.303 58 F C 1.076 176.853 175.800 -0.038 0.000 1.091 58 F CA -0.417 57.557 58.000 -0.043 0.000 1.300 58 F CB 0.367 39.343 39.000 -0.040 0.000 1.071 58 F HN 0.346 8.646 8.300 -0.000 0.000 0.578 59 Q N 0.782 120.687 119.800 0.176 0.000 2.357 59 Q HA 0.311 4.651 4.340 0.001 0.000 0.266 59 Q C -1.767 174.266 176.000 0.055 0.000 1.021 59 Q CA -0.652 55.194 55.803 0.071 0.000 0.784 59 Q CB 1.696 30.454 28.738 0.034 0.000 1.243 59 Q HN 0.082 8.352 8.270 -0.000 0.000 0.465 60 D N 2.710 123.135 120.400 0.041 0.000 2.217 60 D HA 0.199 4.840 4.640 0.001 0.000 0.243 60 D C -1.079 175.236 176.300 0.025 0.000 1.054 60 D CA -0.447 53.577 54.000 0.039 0.000 0.838 60 D CB 1.158 41.985 40.800 0.045 0.000 1.162 60 D HN 0.459 8.829 8.370 -0.000 0.000 0.472 61 D N 4.075 124.491 120.400 0.027 0.000 2.462 61 D HA 0.269 4.909 4.640 0.001 0.000 0.249 61 D C 0.139 176.460 176.300 0.036 0.000 1.117 61 D CA -0.303 53.710 54.000 0.022 0.000 0.900 61 D CB 1.334 42.140 40.800 0.010 0.000 1.039 61 D HN 0.593 8.963 8.370 -0.000 0.000 0.516 62 N N 0.624 119.356 118.700 0.055 0.000 2.470 62 N HA -0.231 4.510 4.740 0.001 0.000 0.299 62 N C -0.244 175.346 175.510 0.133 0.000 1.588 62 N CA 1.153 54.251 53.050 0.081 0.000 3.156 62 N CB -0.557 37.984 38.487 0.091 0.000 1.542 62 N HN 0.249 8.629 8.380 -0.000 0.000 1.187 63 S N -1.594 114.197 115.700 0.152 0.000 2.326 63 S HA -0.156 4.315 4.470 0.001 0.000 0.258 63 S C 0.491 175.241 174.600 0.250 0.000 1.467 63 S CA 0.914 59.225 58.200 0.186 0.000 1.026 63 S CB -2.589 60.731 63.200 0.200 0.000 1.325 63 S HN 0.669 8.979 8.310 -0.000 0.000 0.722 64 H N 0.973 120.132 119.070 0.147 0.000 2.457 64 H HA 0.153 4.710 4.556 0.001 0.000 0.294 64 H C 1.785 177.204 175.328 0.152 0.000 1.064 64 H CA 2.260 58.392 56.048 0.140 0.000 1.330 64 H CB -0.223 29.575 29.762 0.061 0.000 1.395 64 H HN 0.707 8.987 8.280 -0.000 0.000 0.541 65 G N -1.661 107.269 108.800 0.216 0.000 2.739 65 G HA2 -0.076 3.885 3.960 0.001 0.000 0.200 65 G HA3 -0.076 3.885 3.960 0.001 0.000 0.200 65 G C 1.663 176.627 174.900 0.108 0.000 1.069 65 G CA 0.410 45.608 45.100 0.162 0.000 0.768 65 G HN 0.311 8.601 8.290 -0.000 0.000 0.565 66 T N 0.261 114.880 114.554 0.109 0.000 2.777 66 T HA -0.092 4.258 4.350 0.001 0.000 0.266 66 T C 1.945 176.678 174.700 0.054 0.000 1.040 66 T CA 1.637 63.773 62.100 0.059 0.000 1.141 66 T CB -0.300 68.594 68.868 0.043 0.000 0.868 66 T HN 0.417 8.657 8.240 -0.000 0.000 0.444 67 H N 0.457 119.519 119.070 -0.013 0.000 2.270 67 H HA -0.011 4.546 4.556 0.001 0.000 0.299 67 H C 2.280 177.591 175.328 -0.029 0.000 1.077 67 H CA 1.689 57.711 56.048 -0.043 0.000 1.294 67 H CB -0.599 29.121 29.762 -0.070 0.000 1.371 67 H HN 0.027 8.307 8.280 -0.000 0.000 0.491 68 V N 0.690 120.683 119.914 0.130 0.000 2.231 68 V HA -0.356 3.765 4.120 0.001 0.000 0.250 68 V C 2.590 178.673 176.094 -0.019 0.000 1.058 68 V CA 2.118 64.447 62.300 0.049 0.000 1.022 68 V CB -1.163 30.700 31.823 0.067 0.000 0.640 68 V HN 0.731 8.921 8.190 -0.000 0.000 0.445 69 A N -0.282 122.539 122.820 0.002 0.000 2.076 69 A HA -0.121 4.200 4.320 0.001 0.000 0.220 69 A C 2.308 179.852 177.584 -0.068 0.000 1.160 69 A CA 1.848 53.871 52.037 -0.022 0.000 0.653 69 A CB -1.123 17.873 19.000 -0.007 0.000 0.801 69 A HN 0.630 8.780 8.150 -0.000 0.000 0.455 70 G N -0.668 108.062 108.800 -0.116 0.000 2.446 70 G HA2 -0.202 3.759 3.960 0.001 0.000 0.217 70 G HA3 -0.202 3.759 3.960 0.001 0.000 0.217 70 G C 1.536 176.338 174.900 -0.163 0.000 1.168 70 G CA 1.672 46.681 45.100 -0.152 0.000 0.771 70 G HN 0.487 8.777 8.290 -0.000 0.000 0.551 71 T N 0.319 114.756 114.554 -0.195 0.000 3.023 71 T HA 0.056 4.407 4.350 0.001 0.000 0.266 71 T C 2.299 176.884 174.700 -0.191 0.000 1.093 71 T CA 0.547 62.504 62.100 -0.239 0.000 1.129 71 T CB 0.048 68.705 68.868 -0.352 0.000 0.899 71 T HN 0.031 8.271 8.240 -0.000 0.000 0.491 72 V N 1.288 121.121 119.914 -0.136 0.000 2.219 72 V HA 0.097 4.218 4.120 0.001 0.000 0.248 72 V C 0.992 177.049 176.094 -0.062 0.000 1.053 72 V CA 1.789 64.043 62.300 -0.076 0.000 1.009 72 V CB -0.399 31.403 31.823 -0.035 0.000 0.636 72 V HN 0.696 8.886 8.190 -0.000 0.000 0.445 73 A N -1.560 121.217 122.820 -0.071 0.000 2.495 73 A HA 0.718 5.039 4.320 0.001 0.000 0.297 73 A C -0.714 176.818 177.584 -0.086 0.000 1.036 73 A CA 0.236 52.230 52.037 -0.070 0.000 0.982 73 A CB 0.467 19.436 19.000 -0.051 0.000 1.476 73 A HN 0.953 9.103 8.150 -0.000 0.000 0.393 74 A N 2.541 125.305 122.820 -0.093 0.000 2.304 74 A HA 0.678 4.999 4.320 0.001 0.000 0.314 74 A C -0.054 177.468 177.584 -0.104 0.000 1.187 74 A CA -0.651 51.326 52.037 -0.100 0.000 0.810 74 A CB 0.296 19.246 19.000 -0.082 0.000 1.183 74 A HN 1.547 9.697 8.150 -0.000 0.000 0.487 75 L N 1.898 123.056 121.223 -0.109 0.000 2.954 75 L HA -0.190 4.151 4.340 0.001 0.000 0.316 75 L C 0.725 177.536 176.870 -0.098 0.000 1.192 75 L CA 1.104 55.882 54.840 -0.102 0.000 0.863 75 L CB -0.911 41.087 42.059 -0.102 0.000 1.198 75 L HN 0.898 9.128 8.230 -0.000 0.000 0.519 76 N N 3.186 121.826 118.700 -0.099 0.000 2.439 76 N HA 0.557 5.297 4.740 0.001 0.000 0.249 76 N C -0.488 174.977 175.510 -0.075 0.000 1.003 76 N CA -0.335 52.657 53.050 -0.096 0.000 0.942 76 N CB 0.566 38.981 38.487 -0.120 0.000 1.115 76 N HN 0.734 9.114 8.380 -0.000 0.000 0.505 77 N N 0.144 118.805 118.700 -0.066 0.000 3.337 77 N HA 0.077 4.817 4.740 0.001 0.000 0.344 77 N C -1.574 173.908 175.510 -0.047 0.000 1.370 77 N CA -0.819 52.200 53.050 -0.052 0.000 0.852 77 N CB -0.140 38.318 38.487 -0.048 0.000 1.925 77 N HN 0.136 8.516 8.380 -0.000 0.000 0.419 78 S N 0.071 115.749 115.700 -0.036 0.000 4.139 78 S HA 0.366 4.837 4.470 0.001 0.000 0.215 78 S C 0.274 174.857 174.600 -0.028 0.000 1.390 78 S CA -0.510 57.671 58.200 -0.031 0.000 0.885 78 S CB -0.998 62.188 63.200 -0.023 0.000 1.560 78 S HN 0.458 8.768 8.310 -0.000 0.000 0.449 79 I N -0.037 120.508 120.570 -0.042 0.000 4.922 79 I HA 0.347 4.518 4.170 0.001 0.000 0.331 79 I C 0.934 177.004 176.117 -0.078 0.000 1.260 79 I CA 0.244 61.528 61.300 -0.027 0.000 1.366 79 I CB -0.520 37.472 38.000 -0.013 0.000 1.386 79 I HN 0.601 8.811 8.210 -0.000 0.000 0.483 80 G N 1.525 110.242 108.800 -0.140 0.000 2.528 80 G HA2 0.211 4.171 3.960 0.001 0.000 0.681 80 G HA3 0.211 4.171 3.960 0.001 0.000 0.681 80 G C -0.380 174.364 174.900 -0.260 0.000 1.340 80 G CA -0.486 44.459 45.100 -0.259 0.000 0.855 80 G HN 0.087 8.377 8.290 -0.000 0.000 0.649 81 V N -0.486 119.292 119.914 -0.227 0.000 3.845 81 V HA 0.087 4.208 4.120 0.001 0.000 0.547 81 V C 0.424 176.452 176.094 -0.110 0.000 0.686 81 V CA 2.295 64.495 62.300 -0.167 0.000 2.113 81 V CB -0.169 31.521 31.823 -0.220 0.000 2.501 81 V HN 2.726 10.916 8.190 -0.000 0.000 0.522 82 L N -0.443 120.733 121.223 -0.079 0.000 2.947 82 L HA 0.855 5.196 4.340 0.001 0.000 0.267 82 L C -0.175 176.674 176.870 -0.036 0.000 1.004 82 L CA 0.545 55.345 54.840 -0.066 0.000 0.937 82 L CB 1.548 43.569 42.059 -0.063 0.000 1.496 82 L HN 1.300 9.530 8.230 -0.000 0.000 0.409 83 G N 0.450 109.229 108.800 -0.036 0.000 3.234 83 G HA2 0.511 4.472 3.960 0.001 0.000 0.159 83 G HA3 0.511 4.472 3.960 0.001 0.000 0.159 83 G C 0.454 175.440 174.900 0.143 0.000 1.175 83 G CA 0.143 45.243 45.100 0.001 0.000 0.900 83 G HN 0.812 9.102 8.290 -0.000 0.000 0.621 84 V N 0.467 120.455 119.914 0.125 0.000 2.231 84 V HA 0.308 4.428 4.120 0.001 0.000 0.240 84 V C 1.710 177.978 176.094 0.290 0.000 1.039 84 V CA 1.681 64.113 62.300 0.220 0.000 0.998 84 V CB -1.151 30.720 31.823 0.080 0.000 0.639 84 V HN 0.839 9.029 8.190 -0.000 0.000 0.451 85 A N 1.125 124.005 122.820 0.100 0.000 2.644 85 A HA 0.632 4.953 4.320 0.001 0.000 0.343 85 A C -1.554 176.010 177.584 -0.034 0.000 1.324 85 A CA -1.271 50.792 52.037 0.044 0.000 0.846 85 A CB 0.498 19.530 19.000 0.053 0.000 1.128 85 A HN 0.369 8.519 8.150 -0.000 0.000 0.484 86 P HA -0.122 4.298 4.420 -0.000 0.000 0.218 86 P C 1.009 178.254 177.300 -0.091 0.000 1.149 86 P CA 1.703 64.729 63.100 -0.124 0.000 0.817 86 P CB 0.352 31.934 31.700 -0.197 0.000 0.785 87 S N -1.745 113.910 115.700 -0.074 0.000 2.624 87 S HA 0.259 4.730 4.470 0.001 0.000 0.246 87 S C 0.300 174.883 174.600 -0.028 0.000 1.072 87 S CA -0.558 57.610 58.200 -0.054 0.000 1.045 87 S CB -0.754 62.411 63.200 -0.058 0.000 0.851 87 S HN -0.062 8.248 8.310 -0.000 0.000 0.480 88 S N 1.575 117.266 115.700 -0.015 0.000 2.645 88 S HA 0.696 5.166 4.470 0.001 0.000 0.266 88 S C 0.286 174.885 174.600 -0.002 0.000 1.258 88 S CA -0.456 57.753 58.200 0.015 0.000 0.990 88 S CB 1.018 64.240 63.200 0.037 0.000 0.967 88 S HN 0.720 9.030 8.310 -0.000 0.000 0.556 89 A N 1.659 124.498 122.820 0.032 0.000 2.391 89 A HA 0.412 4.733 4.320 0.001 0.000 0.316 89 A C -0.003 177.543 177.584 -0.062 0.000 1.381 89 A CA -0.513 51.507 52.037 -0.028 0.000 0.998 89 A CB -0.607 18.436 19.000 0.071 0.000 1.147 89 A HN 0.785 8.935 8.150 -0.000 0.000 0.545 90 L N 2.835 123.979 121.223 -0.133 0.000 2.477 90 L HA 0.045 4.386 4.340 0.001 0.000 0.272 90 L C -0.715 176.014 176.870 -0.236 0.000 1.157 90 L CA 0.302 55.076 54.840 -0.111 0.000 0.889 90 L CB 0.068 42.048 42.059 -0.132 0.000 1.158 90 L HN 0.662 8.892 8.230 -0.000 0.000 0.473 91 Y N 2.861 123.205 120.300 0.072 0.000 2.454 91 Y HA 0.335 4.885 4.550 0.001 0.000 0.345 91 Y C 0.604 176.532 175.900 0.048 0.000 0.970 91 Y CA -0.545 57.629 58.100 0.123 0.000 1.204 91 Y CB 1.219 39.839 38.460 0.267 0.000 1.122 91 Y HN 0.622 8.902 8.280 -0.000 0.000 0.514 92 A N 4.546 127.439 122.820 0.121 0.000 2.280 92 A HA 0.597 4.917 4.320 0.001 0.000 0.320 92 A C -0.811 176.801 177.584 0.047 0.000 1.366 92 A CA -0.563 51.529 52.037 0.091 0.000 0.938 92 A CB -0.086 19.025 19.000 0.186 0.000 1.157 92 A HN 0.511 8.661 8.150 -0.000 0.000 0.536 93 V N 3.248 123.142 119.914 -0.033 0.000 2.394 93 V HA 0.353 4.473 4.120 0.001 0.000 0.282 93 V C 0.268 176.325 176.094 -0.062 0.000 1.031 93 V CA -0.447 61.771 62.300 -0.138 0.000 0.881 93 V CB 1.329 33.085 31.823 -0.112 0.000 0.982 93 V HN 0.868 9.058 8.190 -0.000 0.000 0.451 94 K N 4.316 124.660 120.400 -0.094 0.000 2.389 94 K HA 0.487 4.808 4.320 0.001 0.000 0.261 94 K C 0.049 176.609 176.600 -0.067 0.000 1.014 94 K CA -0.561 55.694 56.287 -0.054 0.000 0.920 94 K CB 1.496 33.962 32.500 -0.056 0.000 1.149 94 K HN 0.526 8.776 8.250 -0.000 0.000 0.444 95 V N 2.101 122.012 119.914 -0.006 0.000 3.214 95 V HA 0.421 4.541 4.120 0.001 0.000 0.330 95 V C -0.363 175.835 176.094 0.172 0.000 1.403 95 V CA -0.262 62.082 62.300 0.074 0.000 1.143 95 V CB -0.518 31.376 31.823 0.119 0.000 1.098 95 V HN 0.581 8.771 8.190 -0.000 0.000 0.463 96 L N -0.598 120.683 121.223 0.096 0.000 2.359 96 L HA 0.865 5.206 4.340 0.001 0.000 0.256 96 L C 1.257 178.152 176.870 0.042 0.000 1.026 96 L CA 0.396 55.317 54.840 0.136 0.000 0.828 96 L CB 2.080 44.181 42.059 0.069 0.000 1.406 96 L HN 0.036 8.266 8.230 -0.000 0.000 0.413 97 G N -1.135 107.711 108.800 0.076 0.000 2.595 97 G HA2 0.199 4.160 3.960 0.001 0.000 0.213 97 G HA3 0.199 4.160 3.960 0.001 0.000 0.213 97 G C -0.846 174.064 174.900 0.017 0.000 1.141 97 G CA 0.343 45.455 45.100 0.021 0.000 0.806 97 G HN 0.673 8.963 8.290 -0.000 0.000 0.530 98 D N -1.521 118.892 120.400 0.023 0.000 5.589 98 D HA 0.195 4.836 4.640 0.001 0.000 0.228 98 D C 0.383 176.691 176.300 0.013 0.000 1.675 98 D CA 1.035 55.045 54.000 0.017 0.000 1.397 98 D CB -1.379 39.435 40.800 0.024 0.000 0.554 98 D HN 1.465 9.835 8.370 -0.000 0.000 0.288 99 A N 0.164 122.987 122.820 0.004 0.000 2.753 99 A HA 0.383 4.704 4.320 0.001 0.000 0.285 99 A C 1.125 178.708 177.584 -0.001 0.000 1.405 99 A CA 1.555 53.591 52.037 -0.002 0.000 0.727 99 A CB -1.508 17.495 19.000 0.005 0.000 1.101 99 A HN 2.290 10.440 8.150 -0.000 0.000 0.412 100 G N -1.497 107.295 108.800 -0.012 0.000 2.439 100 G HA2 0.749 4.710 3.960 0.001 0.000 0.186 100 G HA3 0.749 4.710 3.960 0.001 0.000 0.186 100 G C 0.174 175.065 174.900 -0.015 0.000 1.260 100 G CA 0.994 46.091 45.100 -0.005 0.000 1.020 100 G HN 2.386 10.676 8.290 -0.000 0.000 0.470 101 S N -1.977 113.730 115.700 0.012 0.000 4.297 101 S HA 0.988 5.458 4.470 0.001 0.000 0.226 101 S C 0.611 175.263 174.600 0.086 0.000 1.134 101 S CA 0.695 58.896 58.200 0.002 0.000 1.591 101 S CB 1.246 64.431 63.200 -0.025 0.000 1.393 101 S HN 2.764 11.074 8.310 -0.000 0.000 0.727 102 G N -0.217 108.609 108.800 0.044 0.000 2.344 102 G HA2 0.431 4.392 3.960 0.001 0.000 0.282 102 G HA3 0.431 4.392 3.960 0.001 0.000 0.282 102 G C -2.305 172.340 174.900 -0.425 0.000 1.281 102 G CA -0.682 44.416 45.100 -0.003 0.000 0.877 102 G HN 0.714 9.004 8.290 -0.000 0.000 0.494 103 Q N -1.144 118.084 119.800 -0.954 0.000 2.375 103 Q HA 0.528 4.869 4.340 0.001 0.000 0.271 103 Q C 0.451 176.241 176.000 -0.349 0.000 1.074 103 Q CA -1.009 54.383 55.803 -0.686 0.000 0.808 103 Q CB 1.826 29.982 28.738 -0.970 0.000 1.327 103 Q HN 0.530 8.800 8.270 -0.000 0.000 0.441 104 Y N 0.593 120.734 120.300 -0.266 0.000 2.108 104 Y HA -0.398 4.153 4.550 0.001 0.000 0.274 104 Y C 2.288 178.160 175.900 -0.047 0.000 1.229 104 Y CA 2.232 60.266 58.100 -0.110 0.000 1.129 104 Y CB -0.787 37.621 38.460 -0.086 0.000 0.946 104 Y HN 0.625 8.905 8.280 -0.000 0.000 0.509 105 S N -1.672 114.055 115.700 0.046 0.000 2.423 105 S HA -0.244 4.227 4.470 0.001 0.000 0.238 105 S C 1.468 176.326 174.600 0.429 0.000 1.028 105 S CA 1.531 59.825 58.200 0.157 0.000 1.000 105 S CB -0.633 62.616 63.200 0.081 0.000 0.797 105 S HN 0.544 8.854 8.310 -0.000 0.000 0.487 106 W N 1.365 122.701 121.300 0.060 0.000 2.588 106 W HA 0.429 5.088 4.660 -0.001 0.000 0.277 106 W C 2.095 178.622 176.519 0.013 0.000 1.221 106 W CA -1.234 56.125 57.345 0.024 0.000 1.355 106 W CB -1.049 28.417 29.460 0.010 0.000 1.083 106 W HN 0.243 8.423 8.180 -0.000 0.000 0.581 107 I N 0.696 121.378 120.570 0.188 0.000 2.133 107 I HA -0.260 3.910 4.170 0.001 0.000 0.238 107 I C 2.393 178.565 176.117 0.092 0.000 1.074 107 I CA 1.772 63.115 61.300 0.071 0.000 1.342 107 I CB -1.332 36.599 38.000 -0.113 0.000 1.053 107 I HN -0.105 8.105 8.210 -0.000 0.000 0.404 108 I N 0.450 121.089 120.570 0.114 0.000 2.335 108 I HA -0.276 3.895 4.170 0.001 0.000 0.251 108 I C 2.086 178.289 176.117 0.144 0.000 1.129 108 I CA 1.876 63.254 61.300 0.130 0.000 1.402 108 I CB -0.447 37.641 38.000 0.145 0.000 1.069 108 I HN 0.241 8.451 8.210 -0.000 0.000 0.424 109 N N 0.698 119.497 118.700 0.165 0.000 2.182 109 N HA -0.029 4.711 4.740 0.001 0.000 0.186 109 N C 1.919 177.531 175.510 0.171 0.000 1.036 109 N CA 1.051 54.199 53.050 0.164 0.000 0.850 109 N CB -0.345 38.247 38.487 0.176 0.000 1.010 109 N HN 0.522 8.902 8.380 -0.000 0.000 0.432 110 G N 1.578 110.459 108.800 0.134 0.000 2.498 110 G HA2 -0.162 3.799 3.960 0.001 0.000 0.219 110 G HA3 -0.162 3.799 3.960 0.001 0.000 0.219 110 G C 1.286 176.317 174.900 0.218 0.000 1.119 110 G CA 0.112 45.279 45.100 0.112 0.000 0.766 110 G HN 0.416 8.706 8.290 -0.000 0.000 0.552 111 I N -2.027 118.648 120.570 0.176 0.000 3.810 111 I HA 0.331 4.502 4.170 0.001 0.000 0.322 111 I C 1.188 177.405 176.117 0.165 0.000 1.288 111 I CA 0.337 61.736 61.300 0.165 0.000 1.143 111 I CB 0.172 38.243 38.000 0.119 0.000 1.012 111 I HN 0.080 8.290 8.210 -0.000 0.000 0.423 112 E N -0.670 119.657 120.200 0.211 0.000 2.606 112 E HA -0.025 4.326 4.350 0.001 0.000 0.224 112 E C 1.105 177.813 176.600 0.179 0.000 0.930 112 E CA -0.155 56.334 56.400 0.148 0.000 1.125 112 E CB 0.177 29.955 29.700 0.129 0.000 1.123 112 E HN 0.690 9.050 8.360 -0.000 0.000 0.522 113 W N 1.091 122.400 121.300 0.014 0.000 2.443 113 W HA 0.021 4.681 4.660 0.000 0.000 0.296 113 W C 1.911 178.412 176.519 -0.029 0.000 1.202 113 W CA 1.848 59.196 57.345 0.004 0.000 1.312 113 W CB 0.167 29.638 29.460 0.018 0.000 1.120 113 W HN 0.021 8.201 8.180 -0.000 0.000 0.536 114 A N -0.142 123.020 122.820 0.569 0.000 2.218 114 A HA 0.072 4.392 4.320 0.001 0.000 0.209 114 A C 1.708 179.320 177.584 0.048 0.000 1.168 114 A CA 1.158 53.436 52.037 0.402 0.000 0.804 114 A CB -0.691 18.582 19.000 0.455 0.000 0.834 114 A HN 0.558 8.708 8.150 -0.000 0.000 0.482 115 I N -3.926 116.657 120.570 0.022 0.000 3.673 115 I HA 0.369 4.539 4.170 0.001 0.000 0.281 115 I C 1.584 177.652 176.117 -0.081 0.000 1.182 115 I CA 0.870 62.161 61.300 -0.014 0.000 1.391 115 I CB 0.228 38.245 38.000 0.029 0.000 1.383 115 I HN 0.066 8.276 8.210 -0.000 0.000 0.456 116 A N 1.113 123.872 122.820 -0.102 0.000 2.359 116 A HA 0.235 4.556 4.320 0.001 0.000 0.240 116 A C 0.958 178.349 177.584 -0.320 0.000 1.306 116 A CA 0.031 51.974 52.037 -0.157 0.000 0.898 116 A CB -0.831 18.105 19.000 -0.106 0.000 0.956 116 A HN 0.582 8.732 8.150 -0.000 0.000 0.497 117 N N 0.127 118.560 118.700 -0.444 0.000 2.241 117 N HA 0.022 4.762 4.740 0.001 0.000 0.238 117 N C -0.472 174.743 175.510 -0.492 0.000 1.244 117 N CA -0.089 52.530 53.050 -0.719 0.000 0.880 117 N CB 0.236 37.778 38.487 -1.575 0.000 1.179 117 N HN 0.372 8.752 8.380 -0.000 0.000 0.513 118 N N 0.357 118.878 118.700 -0.299 0.000 2.725 118 N HA -0.208 4.532 4.740 0.001 0.000 0.249 118 N C -0.529 174.873 175.510 -0.180 0.000 1.103 118 N CA 0.506 53.444 53.050 -0.187 0.000 0.707 118 N CB -1.124 37.259 38.487 -0.172 0.000 1.043 118 N HN 0.350 8.730 8.380 -0.000 0.000 0.553 119 M N 0.535 120.023 119.600 -0.188 0.000 2.217 119 M HA 0.061 4.541 4.480 0.001 0.000 0.352 119 M C 1.077 177.366 176.300 -0.019 0.000 1.376 119 M CA 0.265 55.498 55.300 -0.111 0.000 1.107 119 M CB 0.633 33.218 32.600 -0.024 0.000 1.723 119 M HN 0.101 8.391 8.290 -0.000 0.000 0.461 120 D N 2.606 123.016 120.400 0.016 0.000 2.120 120 D HA -0.001 4.639 4.640 0.001 0.000 0.202 120 D C 0.177 176.513 176.300 0.061 0.000 0.972 120 D CA 0.983 55.009 54.000 0.044 0.000 0.837 120 D CB -0.121 40.714 40.800 0.057 0.000 0.989 120 D HN 0.388 8.758 8.370 -0.000 0.000 0.469 121 V N 1.300 121.260 119.914 0.077 0.000 2.435 121 V HA 0.411 4.532 4.120 0.001 0.000 0.290 121 V C 0.093 176.243 176.094 0.093 0.000 1.030 121 V CA -0.774 61.575 62.300 0.082 0.000 0.881 121 V CB 2.391 34.264 31.823 0.083 0.000 0.983 121 V HN -0.030 8.160 8.190 -0.000 0.000 0.445 122 I N 3.867 124.489 120.570 0.086 0.000 2.389 122 I HA 0.422 4.592 4.170 0.001 0.000 0.288 122 I C -0.331 175.835 176.117 0.081 0.000 0.999 122 I CA -0.200 61.155 61.300 0.092 0.000 1.129 122 I CB 1.581 39.632 38.000 0.085 0.000 1.288 122 I HN 0.793 9.003 8.210 -0.000 0.000 0.444 123 N N 6.831 125.582 118.700 0.085 0.000 2.442 123 N HA 0.475 5.215 4.740 0.001 0.000 0.274 123 N C -1.090 174.467 175.510 0.079 0.000 1.002 123 N CA -0.628 52.467 53.050 0.074 0.000 0.910 123 N CB 1.280 39.808 38.487 0.069 0.000 1.244 123 N HN 0.507 8.887 8.380 -0.000 0.000 0.492 124 M N 2.821 122.464 119.600 0.071 0.000 2.158 124 M HA 0.251 4.731 4.480 0.001 0.000 0.326 124 M C -0.830 175.515 176.300 0.075 0.000 1.014 124 M CA -0.236 55.102 55.300 0.064 0.000 0.961 124 M CB 0.862 33.489 32.600 0.045 0.000 1.327 124 M HN 0.295 8.585 8.290 -0.000 0.000 0.393 125 S N 5.381 121.148 115.700 0.111 0.000 2.411 125 S HA 0.748 5.219 4.470 0.001 0.000 0.304 125 S C -0.960 173.733 174.600 0.153 0.000 1.098 125 S CA -0.289 58.018 58.200 0.178 0.000 1.068 125 S CB -0.380 62.966 63.200 0.243 0.000 1.032 125 S HN 0.595 8.905 8.310 -0.000 0.000 0.511 126 L N 1.769 123.042 121.223 0.084 0.000 3.129 126 L HA 0.566 4.907 4.340 0.001 0.000 0.231 126 L C -0.483 176.382 176.870 -0.008 0.000 0.989 126 L CA -1.041 53.803 54.840 0.006 0.000 1.068 126 L CB 0.270 42.301 42.059 -0.048 0.000 1.476 126 L HN 0.533 8.763 8.230 -0.000 0.000 0.410 127 G N -0.773 108.012 108.800 -0.026 0.000 2.753 127 G HA2 0.692 4.652 3.960 0.001 0.000 0.295 127 G HA3 0.692 4.652 3.960 0.001 0.000 0.295 127 G C -1.106 173.788 174.900 -0.009 0.000 1.437 127 G CA -0.032 45.056 45.100 -0.019 0.000 1.094 127 G HN 0.891 9.181 8.290 -0.000 0.000 0.540 128 G N 1.037 109.852 108.800 0.026 0.000 2.432 128 G HA2 0.676 4.637 3.960 0.001 0.000 0.331 128 G HA3 0.676 4.637 3.960 0.001 0.000 0.331 128 G C -1.678 173.343 174.900 0.202 0.000 1.170 128 G CA -1.581 43.577 45.100 0.097 0.000 0.943 128 G HN 0.304 8.594 8.290 -0.000 0.000 0.483 129 P HA 0.053 4.473 4.420 -0.000 0.000 0.222 129 P C 0.512 177.852 177.300 0.066 0.000 1.153 129 P CA 0.617 63.786 63.100 0.116 0.000 0.798 129 P CB 0.376 32.107 31.700 0.052 0.000 0.796 130 S N -2.060 113.574 115.700 -0.111 0.000 2.588 130 S HA 0.786 5.257 4.470 0.001 0.000 0.275 130 S C -0.290 173.861 174.600 -0.748 0.000 1.130 130 S CA -0.686 57.197 58.200 -0.528 0.000 0.855 130 S CB 2.105 65.138 63.200 -0.279 0.000 1.116 130 S HN 0.156 8.466 8.310 -0.000 0.000 0.472 131 G N 0.344 108.332 108.800 -1.355 0.000 2.672 131 G HA2 0.692 4.653 3.960 0.001 0.000 0.292 131 G HA3 0.692 4.653 3.960 0.001 0.000 0.292 131 G C -0.576 174.273 174.900 -0.085 0.000 1.375 131 G CA -0.496 44.371 45.100 -0.387 0.000 0.890 131 G HN 1.108 9.398 8.290 -0.000 0.000 0.476 132 S N -0.561 115.183 115.700 0.074 0.000 2.713 132 S HA 0.688 5.159 4.470 0.001 0.000 0.296 132 S C 1.561 176.259 174.600 0.162 0.000 1.114 132 S CA 0.217 58.457 58.200 0.067 0.000 0.997 132 S CB 1.398 64.597 63.200 -0.002 0.000 1.249 132 S HN 1.468 9.778 8.310 -0.000 0.000 0.534 133 A N -0.194 122.677 122.820 0.085 0.000 2.067 133 A HA 0.419 4.739 4.320 0.001 0.000 0.217 133 A C 2.129 179.751 177.584 0.063 0.000 1.156 133 A CA 1.126 53.195 52.037 0.053 0.000 0.683 133 A CB -1.454 17.551 19.000 0.009 0.000 0.808 133 A HN 1.092 9.242 8.150 -0.000 0.000 0.455 134 A N -0.219 122.646 122.820 0.076 0.000 1.854 134 A HA 0.008 4.329 4.320 0.001 0.000 0.214 134 A C 1.983 179.643 177.584 0.127 0.000 1.192 134 A CA 1.398 53.484 52.037 0.082 0.000 0.611 134 A CB -0.657 18.385 19.000 0.069 0.000 0.832 134 A HN 0.510 8.660 8.150 -0.000 0.000 0.442 135 L N -0.665 120.667 121.223 0.181 0.000 2.447 135 L HA -0.114 4.227 4.340 0.001 0.000 0.225 135 L C 2.206 179.228 176.870 0.253 0.000 1.148 135 L CA 1.722 56.702 54.840 0.232 0.000 0.808 135 L CB -0.076 42.170 42.059 0.312 0.000 0.928 135 L HN 0.406 8.636 8.230 -0.000 0.000 0.448 136 K N -1.667 118.860 120.400 0.212 0.000 2.348 136 K HA 0.126 4.446 4.320 0.001 0.000 0.194 136 K C 1.868 178.506 176.600 0.063 0.000 1.052 136 K CA 0.667 57.045 56.287 0.153 0.000 1.004 136 K CB 0.268 32.745 32.500 -0.038 0.000 0.873 136 K HN 0.317 8.567 8.250 -0.000 0.000 0.523 137 A N 0.646 123.506 122.820 0.068 0.000 2.016 137 A HA 0.083 4.403 4.320 0.001 0.000 0.217 137 A C 2.038 179.656 177.584 0.056 0.000 1.162 137 A CA 1.374 53.437 52.037 0.043 0.000 0.662 137 A CB -0.168 18.858 19.000 0.044 0.000 0.812 137 A HN 0.331 8.481 8.150 -0.000 0.000 0.450 138 A N -1.138 121.731 122.820 0.082 0.000 1.997 138 A HA 0.255 4.576 4.320 0.001 0.000 0.212 138 A C 2.064 179.694 177.584 0.078 0.000 1.178 138 A CA 1.016 53.100 52.037 0.078 0.000 0.698 138 A CB -0.600 18.457 19.000 0.096 0.000 0.842 138 A HN 0.266 8.416 8.150 -0.000 0.000 0.458 139 V N 0.566 120.537 119.914 0.096 0.000 2.407 139 V HA -0.233 3.888 4.120 0.001 0.000 0.248 139 V C 2.077 178.213 176.094 0.071 0.000 1.055 139 V CA 2.506 64.865 62.300 0.098 0.000 1.049 139 V CB -0.447 31.464 31.823 0.147 0.000 0.662 139 V HN 0.517 8.707 8.190 -0.000 0.000 0.455 140 D N -0.921 119.513 120.400 0.058 0.000 2.137 140 D HA -0.110 4.530 4.640 0.001 0.000 0.202 140 D C 2.188 178.501 176.300 0.022 0.000 0.970 140 D CA 1.095 55.112 54.000 0.027 0.000 0.837 140 D CB 0.041 40.845 40.800 0.006 0.000 0.981 140 D HN 0.360 8.730 8.370 -0.000 0.000 0.475 141 K N 0.591 121.008 120.400 0.028 0.000 2.116 141 K HA 0.037 4.358 4.320 0.001 0.000 0.203 141 K C 1.934 178.549 176.600 0.024 0.000 1.052 141 K CA 0.751 57.051 56.287 0.022 0.000 0.952 141 K CB 0.143 32.657 32.500 0.023 0.000 0.729 141 K HN -0.061 8.189 8.250 -0.000 0.000 0.446 142 A N 0.444 123.286 122.820 0.037 0.000 2.015 142 A HA -0.058 4.263 4.320 0.001 0.000 0.219 142 A C 2.041 179.645 177.584 0.033 0.000 1.163 142 A CA 1.069 53.130 52.037 0.039 0.000 0.646 142 A CB -0.176 18.858 19.000 0.057 0.000 0.806 142 A HN 0.180 8.330 8.150 -0.000 0.000 0.448 143 V N -0.872 119.061 119.914 0.033 0.000 2.599 143 V HA 0.019 4.139 4.120 0.001 0.000 0.245 143 V C 2.688 178.792 176.094 0.016 0.000 1.046 143 V CA 1.298 63.615 62.300 0.028 0.000 1.065 143 V CB -0.237 31.603 31.823 0.028 0.000 0.703 143 V HN 0.537 8.727 8.190 -0.000 0.000 0.464 144 A N -0.198 122.630 122.820 0.013 0.000 2.248 144 A HA -0.012 4.309 4.320 0.001 0.000 0.210 144 A C 1.528 179.113 177.584 0.003 0.000 1.174 144 A CA 1.333 53.373 52.037 0.005 0.000 0.750 144 A CB -0.263 18.739 19.000 0.003 0.000 0.780 144 A HN 0.558 8.708 8.150 -0.000 0.000 0.478 145 S N -1.975 113.729 115.700 0.007 0.000 2.751 145 S HA 0.506 4.977 4.470 0.001 0.000 0.247 145 S C 0.975 175.577 174.600 0.003 0.000 1.103 145 S CA 0.262 58.463 58.200 0.001 0.000 1.090 145 S CB 0.266 63.464 63.200 -0.003 0.000 0.928 145 S HN 1.472 9.782 8.310 -0.000 0.000 0.502 146 G N 1.187 109.994 108.800 0.011 0.000 2.493 146 G HA2 -0.287 3.673 3.960 0.001 0.000 0.206 146 G HA3 -0.287 3.673 3.960 0.001 0.000 0.206 146 G C 0.110 175.027 174.900 0.028 0.000 1.109 146 G CA -0.332 44.779 45.100 0.018 0.000 0.689 146 G HN 0.844 9.134 8.290 -0.000 0.000 0.516 147 V N 1.491 121.420 119.914 0.025 0.000 2.843 147 V HA 0.394 4.515 4.120 0.001 0.000 0.305 147 V C 1.030 177.148 176.094 0.041 0.000 1.120 147 V CA 0.343 62.664 62.300 0.035 0.000 1.254 147 V CB 1.332 33.176 31.823 0.035 0.000 0.901 147 V HN 1.542 9.732 8.190 -0.000 0.000 0.503 148 V N 5.302 125.246 119.914 0.051 0.000 2.447 148 V HA 0.628 4.748 4.120 0.001 0.000 0.292 148 V C -0.395 175.733 176.094 0.056 0.000 1.021 148 V CA -0.357 61.974 62.300 0.051 0.000 0.850 148 V CB 1.745 33.602 31.823 0.058 0.000 1.005 148 V HN 0.705 8.895 8.190 -0.000 0.000 0.426 149 V N 6.971 126.916 119.914 0.052 0.000 2.481 149 V HA 0.676 4.797 4.120 0.001 0.000 0.286 149 V C 0.026 176.147 176.094 0.045 0.000 1.042 149 V CA -0.321 62.011 62.300 0.053 0.000 0.928 149 V CB 1.585 33.441 31.823 0.056 0.000 0.986 149 V HN 0.929 9.119 8.190 -0.000 0.000 0.462 150 V N 1.529 121.472 119.914 0.048 0.000 2.588 150 V HA 1.007 5.128 4.120 0.001 0.000 0.304 150 V C -0.140 175.979 176.094 0.040 0.000 1.042 150 V CA -0.764 61.561 62.300 0.042 0.000 0.877 150 V CB 1.290 33.144 31.823 0.051 0.000 0.996 150 V HN 1.097 9.287 8.190 -0.000 0.000 0.425 151 A N 2.882 125.718 122.820 0.026 0.000 2.435 151 A HA 1.011 5.331 4.320 0.001 0.000 0.304 151 A C 0.368 177.964 177.584 0.021 0.000 1.064 151 A CA -0.196 51.855 52.037 0.024 0.000 0.727 151 A CB 1.617 20.619 19.000 0.003 0.000 1.284 151 A HN 2.003 10.153 8.150 -0.000 0.000 0.415 152 A N 1.016 123.859 122.820 0.038 0.000 2.071 152 A HA 0.615 4.935 4.320 0.001 0.000 0.448 152 A C 0.994 178.592 177.584 0.023 0.000 1.410 152 A CA 1.312 53.380 52.037 0.052 0.000 1.292 152 A CB -0.614 18.436 19.000 0.082 0.000 1.176 152 A HN 3.000 11.150 8.150 -0.000 0.000 0.576 153 A N -3.993 118.852 122.820 0.041 0.000 2.433 153 A HA 0.550 4.870 4.320 0.001 0.000 0.685 153 A C 0.654 178.271 177.584 0.055 0.000 0.138 153 A CA 0.190 52.242 52.037 0.026 0.000 0.029 153 A CB -1.403 17.583 19.000 -0.023 0.000 3.971 153 A HN 3.272 11.422 8.150 -0.000 0.000 0.548 154 G N 1.177 110.024 108.800 0.078 0.000 3.162 154 G HA2 0.586 4.547 3.960 0.001 0.000 0.599 154 G HA3 0.586 4.547 3.960 0.001 0.000 0.599 154 G C -0.561 174.459 174.900 0.199 0.000 1.335 154 G CA 0.488 45.668 45.100 0.134 0.000 1.091 154 G HN 3.143 11.433 8.290 -0.000 0.000 0.570 155 N N 1.432 120.246 118.700 0.190 0.000 5.388 155 N HA -0.058 4.683 4.740 0.001 0.000 0.264 155 N C -0.080 175.486 175.510 0.093 0.000 0.729 155 N CA 0.548 53.680 53.050 0.138 0.000 1.679 155 N CB -0.613 37.910 38.487 0.060 0.000 1.834 155 N HN 0.828 9.208 8.380 -0.000 0.000 0.788 156 E N 0.244 120.506 120.200 0.104 0.000 1.096 156 E HA -0.049 4.301 4.350 0.001 0.000 0.201 156 E C 1.053 177.708 176.600 0.091 0.000 0.843 156 E CA 0.958 57.406 56.400 0.081 0.000 0.827 156 E CB -0.838 28.900 29.700 0.064 0.000 4.842 156 E HN 0.878 9.238 8.360 -0.000 0.000 0.562 157 G N 1.458 110.322 108.800 0.107 0.000 2.634 157 G HA2 -0.361 3.599 3.960 0.001 0.000 0.318 157 G HA3 -0.361 3.599 3.960 0.001 0.000 0.318 157 G C 0.231 175.215 174.900 0.141 0.000 1.207 157 G CA 0.706 45.874 45.100 0.113 0.000 0.987 157 G HN 0.326 8.616 8.290 -0.000 0.000 0.547 158 S N -1.114 114.675 115.700 0.147 0.000 2.681 158 S HA 0.746 5.217 4.470 0.001 0.000 0.299 158 S C 0.467 175.152 174.600 0.141 0.000 1.113 158 S CA 0.484 58.805 58.200 0.202 0.000 1.013 158 S CB 2.019 65.339 63.200 0.199 0.000 1.076 158 S HN 0.918 9.228 8.310 -0.000 0.000 0.534 159 T N 0.566 115.214 114.554 0.157 0.000 3.407 159 T HA 0.426 4.777 4.350 0.001 0.000 0.308 159 T C 0.694 175.459 174.700 0.108 0.000 0.919 159 T CA 0.482 62.649 62.100 0.112 0.000 0.960 159 T CB -0.018 68.912 68.868 0.103 0.000 1.193 159 T HN 0.998 9.238 8.240 -0.000 0.000 0.568 160 G N 2.025 110.901 108.800 0.127 0.000 4.492 160 G HA2 -0.339 3.622 3.960 0.001 0.000 0.265 160 G HA3 -0.339 3.622 3.960 0.001 0.000 0.265 160 G C 1.148 176.100 174.900 0.087 0.000 1.702 160 G CA 0.961 46.113 45.100 0.087 0.000 1.266 160 G HN 0.772 9.062 8.290 -0.000 0.000 0.643 161 S N -0.277 115.478 115.700 0.092 0.000 2.877 161 S HA 0.505 4.975 4.470 0.001 0.000 0.230 161 S C 1.210 175.930 174.600 0.200 0.000 0.999 161 S CA 1.199 59.463 58.200 0.106 0.000 0.866 161 S CB -0.156 63.080 63.200 0.060 0.000 0.819 161 S HN 1.244 9.554 8.310 -0.000 0.000 0.607 162 S N 3.490 119.269 115.700 0.131 0.000 2.737 162 S HA 0.201 4.672 4.470 0.001 0.000 0.315 162 S C 0.468 175.145 174.600 0.127 0.000 1.236 162 S CA -0.079 58.191 58.200 0.115 0.000 1.093 162 S CB -0.220 63.028 63.200 0.080 0.000 0.832 162 S HN 0.702 9.012 8.310 -0.000 0.000 0.507 163 S N 3.223 118.973 115.700 0.083 0.000 2.580 163 S HA 0.385 4.855 4.470 0.001 0.000 0.274 163 S C 0.369 174.966 174.600 -0.004 0.000 1.329 163 S CA -0.532 57.670 58.200 0.003 0.000 1.036 163 S CB 1.094 64.166 63.200 -0.212 0.000 0.919 163 S HN 0.736 9.046 8.310 -0.000 0.000 0.515 164 T N 0.375 114.924 114.554 -0.007 0.000 3.400 164 T HA 0.562 4.913 4.350 0.001 0.000 0.362 164 T C -0.405 174.277 174.700 -0.029 0.000 1.823 164 T CA -0.662 61.445 62.100 0.012 0.000 1.374 164 T CB -1.095 67.804 68.868 0.051 0.000 1.130 164 T HN 0.699 8.939 8.240 -0.000 0.000 0.744 165 V N 0.681 120.556 119.914 -0.064 0.000 2.841 165 V HA 0.888 5.009 4.120 0.001 0.000 0.310 165 V C 0.924 176.945 176.094 -0.121 0.000 1.090 165 V CA -1.095 61.138 62.300 -0.111 0.000 0.930 165 V CB 1.516 33.224 31.823 -0.192 0.000 1.014 165 V HN 0.755 8.945 8.190 -0.000 0.000 0.425 166 G N 1.009 109.746 108.800 -0.105 0.000 2.621 166 G HA2 0.486 4.446 3.960 0.001 0.000 0.271 166 G HA3 0.486 4.446 3.960 0.001 0.000 0.271 166 G C -1.543 173.202 174.900 -0.258 0.000 1.236 166 G CA -0.251 44.820 45.100 -0.049 0.000 0.958 166 G HN 0.569 8.859 8.290 -0.000 0.000 0.512 167 Y N -0.065 120.156 120.300 -0.131 0.000 2.350 167 Y HA 0.364 4.915 4.550 0.001 0.000 0.338 167 Y C -1.814 173.995 175.900 -0.153 0.000 0.961 167 Y CA -1.814 56.174 58.100 -0.187 0.000 1.100 167 Y CB 2.419 40.793 38.460 -0.143 0.000 1.179 167 Y HN 0.276 8.556 8.280 -0.000 0.000 0.454 168 P HA 0.093 4.513 4.420 -0.000 0.000 0.260 168 P C 0.122 177.300 177.300 -0.203 0.000 1.207 168 P CA 0.707 63.739 63.100 -0.114 0.000 0.780 168 P CB 0.681 32.367 31.700 -0.023 0.000 0.789 169 G N 3.350 111.887 108.800 -0.438 0.000 2.789 169 G HA2 -0.031 3.930 3.960 0.001 0.000 0.164 169 G HA3 -0.031 3.930 3.960 0.001 0.000 0.164 169 G C 0.518 175.147 174.900 -0.451 0.000 1.279 169 G CA -0.373 44.472 45.100 -0.426 0.000 0.741 169 G HN 0.320 8.610 8.290 -0.000 0.000 0.685 170 K N 0.519 120.484 120.400 -0.726 0.000 2.643 170 K HA 0.162 4.483 4.320 0.001 0.000 0.193 170 K C -0.380 176.127 176.600 -0.155 0.000 1.027 170 K CA 0.333 56.355 56.287 -0.440 0.000 1.033 170 K CB -0.077 32.154 32.500 -0.448 0.000 0.827 170 K HN 0.244 8.494 8.250 -0.000 0.000 0.500 171 Y N 0.445 120.638 120.300 -0.178 0.000 2.534 171 Y HA 0.194 4.745 4.550 0.000 0.000 0.329 171 Y C -1.459 174.399 175.900 -0.069 0.000 1.154 171 Y CA -3.339 54.716 58.100 -0.075 0.000 1.192 171 Y CB 0.454 38.898 38.460 -0.027 0.000 1.275 171 Y HN -0.179 8.101 8.280 -0.000 0.000 0.491 172 P HA -0.119 4.301 4.420 -0.000 0.000 0.215 172 P C 1.345 178.671 177.300 0.044 0.000 1.157 172 P CA 1.869 65.000 63.100 0.052 0.000 0.863 172 P CB 0.232 31.944 31.700 0.020 0.000 0.787 173 S N 0.255 115.991 115.700 0.060 0.000 2.398 173 S HA -0.118 4.353 4.470 0.001 0.000 0.220 173 S C 1.263 175.888 174.600 0.042 0.000 1.038 173 S CA 1.204 59.432 58.200 0.047 0.000 1.080 173 S CB -1.306 61.930 63.200 0.061 0.000 1.039 173 S HN 0.169 8.479 8.310 -0.000 0.000 0.419 174 V N 3.761 123.704 119.914 0.048 0.000 2.775 174 V HA 0.411 4.531 4.120 0.001 0.000 0.299 174 V C -0.279 175.820 176.094 0.007 0.000 1.062 174 V CA -0.768 61.551 62.300 0.033 0.000 1.063 174 V CB 0.517 32.362 31.823 0.038 0.000 0.994 174 V HN 0.446 8.636 8.190 -0.000 0.000 0.483 175 I N 4.756 125.330 120.570 0.007 0.000 2.310 175 I HA 0.765 4.936 4.170 0.001 0.000 0.287 175 I C 0.230 176.343 176.117 -0.007 0.000 1.073 175 I CA -0.513 60.787 61.300 -0.001 0.000 1.216 175 I CB 0.788 38.795 38.000 0.012 0.000 1.415 175 I HN 0.725 8.935 8.210 -0.000 0.000 0.480 176 A N 6.398 129.202 122.820 -0.027 0.000 2.320 176 A HA 0.696 5.016 4.320 0.001 0.000 0.287 176 A C 0.267 177.837 177.584 -0.023 0.000 1.181 176 A CA -0.379 51.639 52.037 -0.032 0.000 0.831 176 A CB 0.794 19.749 19.000 -0.074 0.000 1.102 176 A HN 0.635 8.785 8.150 -0.000 0.000 0.513 177 V N 1.768 121.682 119.914 -0.001 0.000 3.488 177 V HA 0.907 5.028 4.120 0.001 0.000 0.291 177 V C 1.057 177.148 176.094 -0.005 0.000 1.163 177 V CA 0.116 62.416 62.300 0.001 0.000 0.971 177 V CB 1.406 33.247 31.823 0.031 0.000 1.245 177 V HN 1.221 9.411 8.190 -0.000 0.000 0.456 178 G N -1.444 107.351 108.800 -0.008 0.000 2.721 178 G HA2 0.721 4.681 3.960 0.001 0.000 0.296 178 G HA3 0.721 4.681 3.960 0.001 0.000 0.296 178 G C -1.519 173.372 174.900 -0.014 0.000 1.383 178 G CA -0.181 44.910 45.100 -0.016 0.000 0.788 178 G HN 1.044 9.334 8.290 -0.000 0.000 0.500 179 A N -0.831 121.969 122.820 -0.033 0.000 2.330 179 A HA 0.822 5.142 4.320 0.001 0.000 0.327 179 A C -0.850 176.677 177.584 -0.095 0.000 1.155 179 A CA -0.662 51.353 52.037 -0.036 0.000 0.803 179 A CB 1.790 20.792 19.000 0.003 0.000 1.208 179 A HN 1.288 9.438 8.150 -0.000 0.000 0.477 180 V N 1.572 121.447 119.914 -0.065 0.000 3.074 180 V HA 0.403 4.524 4.120 0.001 0.000 0.314 180 V C -0.020 176.077 176.094 0.005 0.000 1.117 180 V CA -0.143 62.132 62.300 -0.042 0.000 1.014 180 V CB 2.283 34.095 31.823 -0.019 0.000 1.057 180 V HN 1.127 9.317 8.190 -0.000 0.000 0.438 181 D N 1.166 121.593 120.400 0.045 0.000 2.648 181 D HA 0.114 4.754 4.640 0.001 0.000 0.261 181 D C 1.155 177.574 176.300 0.198 0.000 1.261 181 D CA 1.447 55.520 54.000 0.121 0.000 1.011 181 D CB 0.137 40.983 40.800 0.076 0.000 1.092 181 D HN 0.687 9.057 8.370 -0.000 0.000 0.417 182 S N -1.926 113.845 115.700 0.118 0.000 1.962 182 S HA -0.066 4.405 4.470 0.001 0.000 0.193 182 S C 1.494 176.121 174.600 0.046 0.000 0.756 182 S CA 0.469 58.727 58.200 0.097 0.000 1.439 182 S CB -1.232 61.965 63.200 -0.006 0.000 0.887 182 S HN 0.202 8.512 8.310 -0.000 0.000 0.347 183 S N 3.409 119.126 115.700 0.028 0.000 2.462 183 S HA -0.023 4.448 4.470 0.001 0.000 0.243 183 S C 0.864 175.490 174.600 0.043 0.000 1.003 183 S CA 0.990 59.203 58.200 0.021 0.000 0.970 183 S CB -0.962 62.248 63.200 0.018 0.000 0.762 183 S HN 0.711 9.021 8.310 -0.000 0.000 0.510 184 N N 1.070 119.808 118.700 0.064 0.000 2.815 184 N HA -0.158 4.583 4.740 0.001 0.000 0.249 184 N C -0.309 175.288 175.510 0.145 0.000 1.114 184 N CA 0.947 54.049 53.050 0.088 0.000 0.717 184 N CB -1.012 37.513 38.487 0.064 0.000 1.074 184 N HN 0.810 9.190 8.380 -0.000 0.000 0.555 185 Q N 0.826 120.703 119.800 0.128 0.000 2.309 185 Q HA 0.349 4.689 4.340 0.001 0.000 0.264 185 Q C 0.386 176.458 176.000 0.120 0.000 1.008 185 Q CA -0.496 55.409 55.803 0.170 0.000 0.853 185 Q CB 2.111 30.901 28.738 0.087 0.000 1.314 185 Q HN 0.253 8.523 8.270 -0.000 0.000 0.448 186 R N 0.872 121.444 120.500 0.119 0.000 3.264 186 R HA 0.163 4.503 4.340 0.001 0.000 0.283 186 R C -0.946 175.267 176.300 -0.144 0.000 1.014 186 R CA 1.162 57.181 56.100 -0.135 0.000 1.177 186 R CB 0.173 30.346 30.300 -0.211 0.000 1.151 186 R HN 0.684 8.954 8.270 -0.000 0.000 0.517 187 A N -0.370 122.308 122.820 -0.237 0.000 2.455 187 A HA 0.349 4.669 4.320 0.001 0.000 0.300 187 A C 0.546 177.905 177.584 -0.375 0.000 1.040 187 A CA -0.579 51.237 52.037 -0.368 0.000 0.697 187 A CB 1.837 20.462 19.000 -0.624 0.000 1.265 187 A HN 0.773 8.923 8.150 -0.000 0.000 0.407 188 S N 1.079 116.588 115.700 -0.318 0.000 2.404 188 S HA -0.228 4.242 4.470 0.001 0.000 0.230 188 S C 0.912 175.438 174.600 -0.124 0.000 1.046 188 S CA 2.512 60.618 58.200 -0.156 0.000 1.135 188 S CB -0.822 62.350 63.200 -0.047 0.000 1.056 188 S HN 1.350 9.660 8.310 -0.000 0.000 0.426 189 F N 1.796 121.757 119.950 0.018 0.000 2.662 189 F HA 0.691 5.218 4.527 0.001 0.000 0.365 189 F C 0.134 175.947 175.800 0.020 0.000 1.222 189 F CA -0.770 57.242 58.000 0.021 0.000 1.315 189 F CB -0.454 38.557 39.000 0.019 0.000 1.711 189 F HN -0.057 8.243 8.300 -0.000 0.000 0.651 190 S N 1.551 117.243 115.700 -0.014 0.000 2.789 190 S HA 0.367 4.838 4.470 0.001 0.000 0.286 190 S C -0.289 174.335 174.600 0.039 0.000 1.153 190 S CA -0.475 57.715 58.200 -0.017 0.000 1.084 190 S CB 0.547 63.653 63.200 -0.157 0.000 1.036 190 S HN 0.489 8.799 8.310 -0.000 0.000 0.484 191 S N 2.642 118.373 115.700 0.053 0.000 2.599 191 S HA 0.195 4.666 4.470 0.001 0.000 0.303 191 S C 0.302 174.901 174.600 -0.003 0.000 1.267 191 S CA 0.291 58.510 58.200 0.031 0.000 1.055 191 S CB 0.052 63.256 63.200 0.007 0.000 0.790 191 S HN 0.905 9.215 8.310 -0.000 0.000 0.500 192 V N 0.607 120.503 119.914 -0.029 0.000 3.126 192 V HA 1.110 5.231 4.120 0.001 0.000 0.314 192 V C 0.143 176.026 176.094 -0.351 0.000 1.138 192 V CA -0.146 62.055 62.300 -0.165 0.000 1.034 192 V CB 1.498 33.240 31.823 -0.136 0.000 1.075 192 V HN 1.246 9.436 8.190 -0.000 0.000 0.442 193 G N 0.949 109.304 108.800 -0.741 0.000 2.318 193 G HA2 0.340 4.300 3.960 0.001 0.000 0.302 193 G HA3 0.340 4.300 3.960 0.001 0.000 0.302 193 G C -2.501 171.846 174.900 -0.922 0.000 1.633 193 G CA 0.043 44.623 45.100 -0.868 0.000 0.965 193 G HN 0.644 8.934 8.290 -0.000 0.000 0.698 194 P HA -0.172 4.248 4.420 -0.000 0.000 0.219 194 P C 1.194 178.317 177.300 -0.296 0.000 1.147 194 P CA 1.705 64.496 63.100 -0.515 0.000 0.821 194 P CB 0.306 31.861 31.700 -0.243 0.000 0.771 195 E N -0.539 119.486 120.200 -0.293 0.000 2.051 195 E HA 0.024 4.374 4.350 0.001 0.000 0.189 195 E C 0.834 177.327 176.600 -0.178 0.000 0.979 195 E CA -0.285 55.996 56.400 -0.198 0.000 0.803 195 E CB -0.537 29.033 29.700 -0.216 0.000 0.761 195 E HN 0.111 8.471 8.360 -0.000 0.000 0.451 196 L N 2.342 123.435 121.223 -0.216 0.000 3.184 196 L HA -0.226 4.114 4.340 0.001 0.000 0.341 196 L C -0.220 176.593 176.870 -0.095 0.000 1.112 196 L CA 0.076 54.828 54.840 -0.147 0.000 0.842 196 L CB 0.267 42.227 42.059 -0.165 0.000 1.260 196 L HN 0.229 8.459 8.230 -0.000 0.000 0.573 197 D N 2.157 122.519 120.400 -0.064 0.000 2.431 197 D HA 0.209 4.849 4.640 0.001 0.000 0.227 197 D C 0.096 176.389 176.300 -0.011 0.000 1.030 197 D CA 0.188 54.165 54.000 -0.037 0.000 0.897 197 D CB 0.494 41.278 40.800 -0.027 0.000 1.058 197 D HN 0.234 8.604 8.370 -0.000 0.000 0.500 198 V N -0.010 119.898 119.914 -0.009 0.000 3.206 198 V HA 0.540 4.661 4.120 0.001 0.000 0.305 198 V C -1.714 174.379 176.094 -0.001 0.000 1.257 198 V CA -0.916 61.388 62.300 0.007 0.000 1.057 198 V CB 2.808 34.641 31.823 0.017 0.000 1.075 198 V HN -0.030 8.160 8.190 -0.000 0.000 0.443 199 M N 1.994 121.597 119.600 0.006 0.000 2.464 199 M HA 0.883 5.364 4.480 0.001 0.000 0.308 199 M C -0.642 175.650 176.300 -0.013 0.000 1.127 199 M CA 0.004 55.297 55.300 -0.013 0.000 0.913 199 M CB 1.815 34.406 32.600 -0.016 0.000 1.689 199 M HN 0.915 9.205 8.290 -0.000 0.000 0.445 200 A N 4.220 127.016 122.820 -0.041 0.000 2.475 200 A HA 1.071 5.392 4.320 0.001 0.000 0.281 200 A C -2.941 174.546 177.584 -0.162 0.000 1.263 200 A CA -1.631 50.342 52.037 -0.108 0.000 0.776 200 A CB 0.711 19.649 19.000 -0.103 0.000 1.347 200 A HN 0.559 8.709 8.150 -0.000 0.000 0.443 201 P HA 0.380 4.800 4.420 -0.000 0.000 0.272 201 P C 0.175 177.381 177.300 -0.155 0.000 1.243 201 P CA 0.836 63.773 63.100 -0.271 0.000 0.803 201 P CB 0.319 31.744 31.700 -0.458 0.000 0.974 202 G N -1.971 106.811 108.800 -0.030 0.000 2.225 202 G HA2 0.413 4.373 3.960 0.001 0.000 0.184 202 G HA3 0.413 4.373 3.960 0.001 0.000 0.184 202 G C -1.673 173.332 174.900 0.175 0.000 2.549 202 G CA -0.399 44.768 45.100 0.112 0.000 0.925 202 G HN 0.440 8.730 8.290 -0.000 0.000 0.550 203 V N 0.791 120.831 119.914 0.210 0.000 2.926 203 V HA 0.376 4.496 4.120 0.001 0.000 0.251 203 V C 0.668 176.919 176.094 0.260 0.000 1.724 203 V CA -0.215 62.235 62.300 0.250 0.000 0.858 203 V CB 0.899 32.830 31.823 0.181 0.000 1.199 203 V HN 1.860 10.050 8.190 -0.000 0.000 0.490 204 S N 3.224 119.074 115.700 0.250 0.000 3.667 204 S HA -0.166 4.304 4.470 0.001 0.000 0.405 204 S C -0.252 174.503 174.600 0.258 0.000 0.913 204 S CA 0.632 58.969 58.200 0.229 0.000 1.288 204 S CB -0.777 62.538 63.200 0.191 0.000 0.905 204 S HN 0.677 8.987 8.310 -0.000 0.000 0.550 205 I N 2.228 122.952 120.570 0.257 0.000 2.321 205 I HA 0.227 4.398 4.170 0.001 0.000 0.291 205 I C 0.792 177.046 176.117 0.227 0.000 0.998 205 I CA -0.188 61.252 61.300 0.234 0.000 1.227 205 I CB 1.010 39.136 38.000 0.211 0.000 1.368 205 I HN 0.300 8.510 8.210 -0.000 0.000 0.466 206 Q N 3.985 123.883 119.800 0.163 0.000 2.394 206 Q HA 0.451 4.791 4.340 0.001 0.000 0.248 206 Q C -0.081 175.962 176.000 0.072 0.000 0.992 206 Q CA 0.159 56.047 55.803 0.142 0.000 0.888 206 Q CB 1.702 30.475 28.738 0.058 0.000 1.257 206 Q HN 0.751 9.021 8.270 -0.000 0.000 0.462 207 S N -0.283 115.521 115.700 0.173 0.000 2.654 207 S HA 0.312 4.782 4.470 0.001 0.000 0.267 207 S C -1.397 173.459 174.600 0.425 0.000 1.151 207 S CA -0.176 58.106 58.200 0.137 0.000 0.873 207 S CB 0.860 63.544 63.200 -0.860 0.000 1.181 207 S HN 0.697 9.007 8.310 -0.000 0.000 0.489 208 T N 0.900 115.516 114.554 0.104 0.000 2.902 208 T HA 0.797 5.148 4.350 0.001 0.000 0.283 208 T C -0.939 173.690 174.700 -0.117 0.000 1.009 208 T CA -0.450 61.480 62.100 -0.283 0.000 1.051 208 T CB 0.973 69.795 68.868 -0.077 0.000 0.999 208 T HN 0.418 8.658 8.240 -0.000 0.000 0.474 209 L N 2.702 123.743 121.223 -0.302 0.000 2.350 209 L HA 0.638 4.978 4.340 0.001 0.000 0.260 209 L C -2.335 174.370 176.870 -0.275 0.000 1.015 209 L CA -2.392 52.342 54.840 -0.177 0.000 0.821 209 L CB 1.731 43.710 42.059 -0.134 0.000 1.370 209 L HN 0.509 8.739 8.230 -0.000 0.000 0.416 210 P HA 0.177 4.597 4.420 -0.000 0.000 0.265 210 P C 0.467 177.671 177.300 -0.160 0.000 1.167 210 P CA 1.363 64.381 63.100 -0.136 0.000 0.760 210 P CB 0.278 31.948 31.700 -0.050 0.000 0.783 211 G N 2.501 111.209 108.800 -0.153 0.000 2.754 211 G HA2 -0.211 3.750 3.960 0.001 0.000 0.241 211 G HA3 -0.211 3.750 3.960 0.001 0.000 0.241 211 G C -0.384 174.397 174.900 -0.199 0.000 1.281 211 G CA 0.352 45.375 45.100 -0.130 0.000 0.971 211 G HN 0.806 9.096 8.290 -0.000 0.000 0.569 212 N N 0.481 119.062 118.700 -0.199 0.000 2.969 212 N HA 0.478 5.219 4.740 0.001 0.000 0.230 212 N C -0.677 174.736 175.510 -0.162 0.000 1.397 212 N CA 0.577 53.488 53.050 -0.232 0.000 0.762 212 N CB 0.210 38.642 38.487 -0.093 0.000 1.495 212 N HN 1.152 9.532 8.380 -0.000 0.000 0.583 213 K N -0.095 120.151 120.400 -0.257 0.000 3.727 213 K HA 0.162 4.482 4.320 0.001 0.000 0.423 213 K C -1.494 174.903 176.600 -0.338 0.000 1.036 213 K CA -0.654 55.551 56.287 -0.135 0.000 0.806 213 K CB 0.494 32.999 32.500 0.008 0.000 1.515 213 K HN 0.030 8.280 8.250 -0.000 0.000 0.545 214 Y N -0.768 119.559 120.300 0.044 0.000 2.719 214 Y HA 0.768 5.318 4.550 0.001 0.000 0.335 214 Y C 0.882 176.781 175.900 -0.002 0.000 1.198 214 Y CA 0.316 58.436 58.100 0.033 0.000 1.274 214 Y CB 2.027 40.508 38.460 0.034 0.000 1.500 214 Y HN 0.956 9.236 8.280 -0.000 0.000 0.616 215 G N -1.043 107.860 108.800 0.170 0.000 2.488 215 G HA2 0.540 4.501 3.960 0.001 0.000 0.301 215 G HA3 0.540 4.501 3.960 0.001 0.000 0.301 215 G C -2.204 172.689 174.900 -0.011 0.000 1.339 215 G CA -0.401 44.723 45.100 0.039 0.000 0.803 215 G HN 0.692 8.982 8.290 -0.000 0.000 0.482 216 A N -0.240 122.562 122.820 -0.030 0.000 2.287 216 A HA 0.787 5.108 4.320 0.001 0.000 0.317 216 A C -1.595 176.147 177.584 0.262 0.000 1.220 216 A CA -0.517 51.582 52.037 0.103 0.000 0.835 216 A CB 0.760 19.847 19.000 0.146 0.000 1.180 216 A HN 0.645 8.795 8.150 -0.000 0.000 0.500 217 Y N 1.321 121.579 120.300 -0.070 0.000 2.446 217 Y HA 0.496 5.046 4.550 0.001 0.000 0.345 217 Y C -0.506 175.413 175.900 0.032 0.000 0.984 217 Y CA -2.234 55.777 58.100 -0.148 0.000 1.058 217 Y CB 2.202 40.403 38.460 -0.431 0.000 1.220 217 Y HN 0.813 9.093 8.280 -0.000 0.000 0.455 218 N N 0.561 119.368 118.700 0.180 0.000 2.448 218 N HA 0.758 5.498 4.740 0.001 0.000 0.279 218 N C -0.233 175.335 175.510 0.096 0.000 1.025 218 N CA -0.569 52.609 53.050 0.214 0.000 0.898 218 N CB 2.273 40.920 38.487 0.267 0.000 1.303 218 N HN 0.826 9.206 8.380 -0.000 0.000 0.495 219 G N -1.212 107.749 108.800 0.269 0.000 2.341 219 G HA2 0.295 4.255 3.960 0.001 0.000 0.299 219 G HA3 0.295 4.255 3.960 0.001 0.000 0.299 219 G C -0.667 174.454 174.900 0.368 0.000 1.274 219 G CA -0.275 44.925 45.100 0.168 0.000 0.853 219 G HN 0.397 8.687 8.290 -0.000 0.000 0.493 220 T N -0.783 113.933 114.554 0.270 0.000 3.023 220 T HA 0.192 4.542 4.350 0.001 0.000 0.253 220 T C 2.011 176.799 174.700 0.148 0.000 1.038 220 T CA 1.606 63.835 62.100 0.215 0.000 0.962 220 T CB -0.311 68.682 68.868 0.208 0.000 1.018 220 T HN 0.580 8.820 8.240 -0.000 0.000 0.521 221 S N 1.821 117.596 115.700 0.126 0.000 2.496 221 S HA 0.093 4.563 4.470 0.001 0.000 0.224 221 S C 1.861 176.518 174.600 0.095 0.000 0.996 221 S CA 0.137 58.402 58.200 0.108 0.000 0.927 221 S CB -0.221 63.048 63.200 0.116 0.000 0.774 221 S HN 0.584 8.894 8.310 -0.000 0.000 0.524 222 M N 0.636 120.308 119.600 0.119 0.000 2.561 222 M HA 0.453 4.933 4.480 0.001 0.000 0.238 222 M C 1.668 178.115 176.300 0.246 0.000 1.131 222 M CA 0.534 55.929 55.300 0.158 0.000 1.046 222 M CB -0.935 31.791 32.600 0.209 0.000 1.532 222 M HN 0.330 8.620 8.290 -0.000 0.000 0.497 223 A N 0.998 123.962 122.820 0.240 0.000 1.942 223 A HA 0.045 4.366 4.320 0.001 0.000 0.209 223 A C 2.358 180.091 177.584 0.248 0.000 1.214 223 A CA 1.152 53.367 52.037 0.296 0.000 0.686 223 A CB -0.526 18.551 19.000 0.127 0.000 0.871 223 A HN 0.502 8.652 8.150 -0.000 0.000 0.460 224 S N 0.986 116.778 115.700 0.153 0.000 2.359 224 S HA -0.110 4.361 4.470 0.001 0.000 0.222 224 S C -0.398 174.259 174.600 0.095 0.000 1.038 224 S CA 1.976 60.239 58.200 0.105 0.000 1.051 224 S CB -1.347 61.903 63.200 0.084 0.000 0.944 224 S HN 0.340 8.650 8.310 -0.000 0.000 0.433 225 P HA -0.051 4.369 4.420 -0.000 0.000 0.224 225 P C 0.494 177.725 177.300 -0.116 0.000 1.142 225 P CA 1.387 64.465 63.100 -0.037 0.000 0.778 225 P CB -0.366 31.273 31.700 -0.102 0.000 0.764 226 H N -1.604 117.475 119.070 0.016 0.000 2.343 226 H HA -0.041 4.515 4.556 0.001 0.000 0.303 226 H C 1.934 177.272 175.328 0.017 0.000 1.068 226 H CA 0.879 56.931 56.048 0.006 0.000 1.359 226 H CB -0.575 29.183 29.762 -0.007 0.000 1.402 226 H HN -0.155 8.125 8.280 -0.000 0.000 0.515 227 V N 0.893 120.905 119.914 0.163 0.000 2.216 227 V HA -0.271 3.849 4.120 0.001 0.000 0.243 227 V C 2.441 178.581 176.094 0.077 0.000 1.044 227 V CA 1.865 64.226 62.300 0.101 0.000 0.995 227 V CB -0.972 30.901 31.823 0.084 0.000 0.633 227 V HN 0.569 8.759 8.190 -0.000 0.000 0.446 228 A N 0.095 122.956 122.820 0.069 0.000 2.272 228 A HA -0.006 4.314 4.320 0.001 0.000 0.213 228 A C 2.098 179.714 177.584 0.053 0.000 1.183 228 A CA 1.500 53.574 52.037 0.062 0.000 0.719 228 A CB -1.002 18.033 19.000 0.058 0.000 0.771 228 A HN 0.611 8.761 8.150 -0.000 0.000 0.484 229 G N -0.614 108.213 108.800 0.045 0.000 2.439 229 G HA2 0.146 4.106 3.960 0.001 0.000 0.212 229 G HA3 0.146 4.106 3.960 0.001 0.000 0.212 229 G C 1.723 176.658 174.900 0.059 0.000 1.199 229 G CA 0.830 45.954 45.100 0.039 0.000 0.807 229 G HN 0.692 8.982 8.290 -0.000 0.000 0.537 230 A N 1.161 124.019 122.820 0.063 0.000 1.972 230 A HA 0.245 4.565 4.320 0.001 0.000 0.219 230 A C 2.747 180.366 177.584 0.058 0.000 1.169 230 A CA 2.210 54.280 52.037 0.055 0.000 0.635 230 A CB -0.725 18.308 19.000 0.054 0.000 0.810 230 A HN 0.759 8.909 8.150 -0.000 0.000 0.446 231 A N 0.174 123.035 122.820 0.068 0.000 1.851 231 A HA 0.069 4.390 4.320 0.001 0.000 0.216 231 A C 2.577 180.206 177.584 0.075 0.000 1.195 231 A CA 2.541 54.625 52.037 0.078 0.000 0.622 231 A CB -1.333 17.713 19.000 0.076 0.000 0.831 231 A HN 1.197 9.347 8.150 -0.000 0.000 0.444 232 A N -0.712 122.149 122.820 0.067 0.000 1.903 232 A HA -0.180 4.140 4.320 0.001 0.000 0.219 232 A C 2.244 179.855 177.584 0.046 0.000 1.191 232 A CA 1.955 54.030 52.037 0.063 0.000 0.638 232 A CB -0.718 18.320 19.000 0.063 0.000 0.823 232 A HN 0.808 8.958 8.150 -0.000 0.000 0.451 233 L N -1.075 120.175 121.223 0.045 0.000 2.395 233 L HA 0.113 4.453 4.340 0.001 0.000 0.218 233 L C 2.092 178.938 176.870 -0.040 0.000 1.130 233 L CA 0.760 55.615 54.840 0.026 0.000 0.826 233 L CB -0.067 42.029 42.059 0.063 0.000 0.941 233 L HN 0.425 8.655 8.230 -0.000 0.000 0.451 234 I N -0.968 119.604 120.570 0.005 0.000 2.500 234 I HA -0.193 3.978 4.170 0.001 0.000 0.252 234 I C 1.120 177.211 176.117 -0.042 0.000 1.142 234 I CA 0.388 61.685 61.300 -0.005 0.000 1.451 234 I CB 0.087 38.158 38.000 0.118 0.000 1.093 234 I HN 0.167 8.377 8.210 -0.000 0.000 0.430 235 L N 0.516 121.759 121.223 0.033 0.000 2.949 235 L HA -0.038 4.303 4.340 0.001 0.000 0.263 235 L C 1.827 178.652 176.870 -0.075 0.000 1.190 235 L CA 1.004 55.863 54.840 0.032 0.000 1.022 235 L CB -1.200 40.908 42.059 0.081 0.000 1.313 235 L HN 0.025 8.255 8.230 -0.000 0.000 0.413 236 S N -1.238 114.350 115.700 -0.186 0.000 2.517 236 S HA 0.069 4.540 4.470 0.001 0.000 0.228 236 S C 1.831 176.239 174.600 -0.320 0.000 1.060 236 S CA 0.197 58.296 58.200 -0.168 0.000 0.937 236 S CB 0.385 63.519 63.200 -0.109 0.000 0.840 236 S HN 0.374 8.684 8.310 -0.000 0.000 0.546 237 K N 0.184 120.114 120.400 -0.784 0.000 2.365 237 K HA 0.054 4.375 4.320 0.001 0.000 0.197 237 K C -0.625 175.052 176.600 -1.538 0.000 1.042 237 K CA 0.624 56.208 56.287 -1.173 0.000 0.987 237 K CB 0.147 31.598 32.500 -1.748 0.000 0.779 237 K HN 0.474 8.724 8.250 -0.000 0.000 0.484 238 H N -1.432 117.356 119.070 -0.471 0.000 2.651 238 H HA 0.163 4.720 4.556 0.001 0.000 0.252 238 H C -2.388 172.850 175.328 -0.150 0.000 1.365 238 H CA -1.832 53.944 56.048 -0.453 0.000 1.539 238 H CB 0.984 29.965 29.762 -1.302 0.000 1.621 238 H HN -0.068 8.212 8.280 -0.000 0.000 0.526 239 P HA -0.125 4.295 4.420 -0.000 0.000 0.236 239 P C 0.406 177.765 177.300 0.099 0.000 1.172 239 P CA 1.002 64.119 63.100 0.028 0.000 0.759 239 P CB 0.403 32.111 31.700 0.013 0.000 0.843 240 N N -2.319 116.474 118.700 0.155 0.000 2.197 240 N HA 0.030 4.771 4.740 0.001 0.000 0.228 240 N C -0.515 175.193 175.510 0.330 0.000 1.212 240 N CA -0.274 52.896 53.050 0.201 0.000 0.883 240 N CB 0.383 38.971 38.487 0.168 0.000 1.107 240 N HN 0.025 8.405 8.380 -0.000 0.000 0.519 241 W N 2.022 123.372 121.300 0.084 0.000 2.303 241 W HA 0.264 4.924 4.660 0.001 0.000 0.334 241 W C 0.971 177.511 176.519 0.034 0.000 1.197 241 W CA -0.205 57.169 57.345 0.049 0.000 1.262 241 W CB 0.474 29.978 29.460 0.074 0.000 1.153 241 W HN -0.167 8.013 8.180 -0.000 0.000 0.596 242 T N 1.770 116.395 114.554 0.118 0.000 2.833 242 T HA 0.111 4.462 4.350 0.001 0.000 0.292 242 T C 1.200 175.931 174.700 0.052 0.000 1.031 242 T CA -0.627 61.498 62.100 0.041 0.000 0.937 242 T CB 0.468 69.318 68.868 -0.030 0.000 1.256 242 T HN 0.262 8.502 8.240 -0.000 0.000 0.551 243 N N 0.888 119.602 118.700 0.023 0.000 2.083 243 N HA -0.076 4.664 4.740 0.001 0.000 0.190 243 N C 2.069 177.574 175.510 -0.007 0.000 1.047 243 N CA 1.290 54.354 53.050 0.023 0.000 0.845 243 N CB -1.529 36.969 38.487 0.019 0.000 1.025 243 N HN 0.534 8.914 8.380 -0.000 0.000 0.428 244 T N 2.630 117.167 114.554 -0.029 0.000 2.564 244 T HA -0.261 4.090 4.350 0.001 0.000 0.264 244 T C 1.882 176.515 174.700 -0.111 0.000 1.100 244 T CA 1.944 64.005 62.100 -0.064 0.000 1.171 244 T CB -0.515 68.308 68.868 -0.074 0.000 0.863 244 T HN 0.355 8.595 8.240 -0.000 0.000 0.430 245 Q N 0.026 119.719 119.800 -0.179 0.000 1.906 245 Q HA -0.162 4.179 4.340 0.001 0.000 0.221 245 Q C 2.541 178.397 176.000 -0.240 0.000 1.021 245 Q CA 2.158 57.751 55.803 -0.350 0.000 0.880 245 Q CB -0.898 27.451 28.738 -0.648 0.000 0.966 245 Q HN 0.439 8.709 8.270 -0.000 0.000 0.418 246 V N 1.109 120.983 119.914 -0.067 0.000 2.380 246 V HA -0.292 3.829 4.120 0.001 0.000 0.251 246 V C 2.343 178.461 176.094 0.040 0.000 1.063 246 V CA 1.868 64.235 62.300 0.112 0.000 1.055 246 V CB -0.885 31.048 31.823 0.184 0.000 0.657 246 V HN 0.358 8.548 8.190 -0.000 0.000 0.455 247 R N 0.695 121.198 120.500 0.005 0.000 2.159 247 R HA -0.245 4.095 4.340 0.001 0.000 0.249 247 R C 2.478 178.774 176.300 -0.006 0.000 1.136 247 R CA 2.457 58.558 56.100 0.001 0.000 0.951 247 R CB -0.563 29.727 30.300 -0.017 0.000 0.876 247 R HN 0.668 8.938 8.270 -0.000 0.000 0.440 248 S N -0.173 115.506 115.700 -0.036 0.000 2.428 248 S HA -0.048 4.423 4.470 0.001 0.000 0.230 248 S C 1.962 176.557 174.600 -0.007 0.000 1.014 248 S CA 0.804 58.984 58.200 -0.034 0.000 0.957 248 S CB -0.027 63.130 63.200 -0.073 0.000 0.784 248 S HN 0.248 8.558 8.310 -0.000 0.000 0.499 249 S N 2.177 117.882 115.700 0.008 0.000 2.414 249 S HA -0.098 4.373 4.470 0.001 0.000 0.225 249 S C 1.815 176.462 174.600 0.078 0.000 1.041 249 S CA 1.574 59.824 58.200 0.083 0.000 1.114 249 S CB -0.675 62.655 63.200 0.217 0.000 1.064 249 S HN 0.431 8.741 8.310 -0.000 0.000 0.420 250 L N 1.188 122.459 121.223 0.078 0.000 1.989 250 L HA -0.215 4.125 4.340 0.001 0.000 0.211 250 L C 2.861 179.757 176.870 0.043 0.000 1.071 250 L CA 1.611 56.486 54.840 0.059 0.000 0.749 250 L CB -0.727 41.368 42.059 0.060 0.000 0.890 250 L HN 0.428 8.658 8.230 -0.000 0.000 0.431 251 Q N -0.119 119.700 119.800 0.032 0.000 1.993 251 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 251 Q C 2.026 178.038 176.000 0.020 0.000 0.984 251 Q CA 1.835 57.652 55.803 0.023 0.000 0.837 251 Q CB -0.434 28.311 28.738 0.013 0.000 0.902 251 Q HN 0.534 8.804 8.270 -0.000 0.000 0.423 252 N N -0.064 118.645 118.700 0.014 0.000 2.089 252 N HA -0.180 4.561 4.740 0.001 0.000 0.198 252 N C 0.967 176.489 175.510 0.019 0.000 1.017 252 N CA 1.689 54.745 53.050 0.010 0.000 0.880 252 N CB 0.036 38.522 38.487 -0.001 0.000 1.042 252 N HN 0.238 8.618 8.380 -0.000 0.000 0.446 253 T N -0.908 113.663 114.554 0.027 0.000 3.516 253 T HA 0.235 4.586 4.350 0.001 0.000 0.245 253 T C -0.181 174.538 174.700 0.031 0.000 1.077 253 T CA -0.798 61.320 62.100 0.030 0.000 1.222 253 T CB -0.006 68.884 68.868 0.037 0.000 1.045 253 T HN 0.080 8.320 8.240 -0.000 0.000 0.585 254 T N -0.808 113.765 114.554 0.031 0.000 2.889 254 T HA 0.650 5.001 4.350 0.001 0.000 0.278 254 T C 0.118 174.837 174.700 0.033 0.000 0.995 254 T CA -0.756 61.364 62.100 0.034 0.000 0.966 254 T CB 1.323 70.216 68.868 0.041 0.000 1.237 254 T HN 0.218 8.458 8.240 -0.000 0.000 0.591 255 T N -0.034 114.542 114.554 0.036 0.000 2.907 255 T HA 0.446 4.796 4.350 0.001 0.000 0.284 255 T C -0.314 174.409 174.700 0.038 0.000 1.004 255 T CA -0.680 61.439 62.100 0.032 0.000 1.063 255 T CB 0.281 69.167 68.868 0.031 0.000 0.992 255 T HN 0.536 8.776 8.240 -0.000 0.000 0.483 256 K N 3.169 123.581 120.400 0.019 0.000 2.237 256 K HA 0.553 4.874 4.320 0.001 0.000 0.270 256 K C -0.125 176.465 176.600 -0.017 0.000 1.015 256 K CA -0.252 56.040 56.287 0.008 0.000 0.949 256 K CB 1.078 33.567 32.500 -0.018 0.000 0.976 256 K HN 0.446 8.696 8.250 -0.000 0.000 0.472 257 L N -0.211 120.984 121.223 -0.046 0.000 3.912 257 L HA 0.451 4.791 4.340 0.001 0.000 0.199 257 L C 0.618 177.108 176.870 -0.634 0.000 1.172 257 L CA 0.181 54.858 54.840 -0.271 0.000 1.013 257 L CB 0.215 42.464 42.059 0.316 0.000 1.692 257 L HN 0.769 8.999 8.230 -0.000 0.000 0.705 258 G N -1.664 106.748 108.800 -0.648 0.000 3.176 258 G HA2 0.372 4.333 3.960 0.001 0.000 0.272 258 G HA3 0.372 4.333 3.960 0.001 0.000 0.272 258 G C -1.702 173.336 174.900 0.230 0.000 1.349 258 G CA -0.299 44.629 45.100 -0.287 0.000 0.953 258 G HN 0.181 8.471 8.290 -0.000 0.000 0.559 259 D N -0.624 119.933 120.400 0.263 0.000 2.429 259 D HA 0.128 4.768 4.640 0.001 0.000 0.233 259 D C 1.324 177.788 176.300 0.274 0.000 1.202 259 D CA 0.624 54.774 54.000 0.250 0.000 0.879 259 D CB 0.599 41.559 40.800 0.266 0.000 1.212 259 D HN 0.369 8.739 8.370 -0.000 0.000 0.465 260 S N 2.069 117.888 115.700 0.198 0.000 4.085 260 S HA 0.221 4.692 4.470 0.001 0.000 0.189 260 S C 0.197 174.872 174.600 0.124 0.000 1.392 260 S CA -0.482 57.800 58.200 0.137 0.000 0.972 260 S CB -0.609 62.652 63.200 0.102 0.000 1.482 260 S HN 0.540 8.850 8.310 -0.000 0.000 0.446 261 F N -0.653 119.228 119.950 -0.114 0.000 2.764 261 F HA 0.237 4.765 4.527 0.001 0.000 0.393 261 F C 0.315 175.731 175.800 -0.641 0.000 0.854 261 F CA -0.363 57.406 58.000 -0.385 0.000 1.003 261 F CB 0.589 39.272 39.000 -0.528 0.000 1.085 261 F HN 0.384 8.684 8.300 -0.000 0.000 0.592 262 Y N -3.385 117.021 120.300 0.176 0.000 2.437 262 Y HA 0.263 4.813 4.550 0.001 0.000 0.266 262 Y C 1.132 176.837 175.900 -0.325 0.000 1.077 262 Y CA -0.164 57.899 58.100 -0.061 0.000 1.235 262 Y CB -0.044 38.375 38.460 -0.067 0.000 1.303 262 Y HN -0.029 8.251 8.280 -0.000 0.000 0.536 263 Y N 0.035 120.440 120.300 0.175 0.000 2.500 263 Y HA 0.385 4.935 4.550 0.001 0.000 0.284 263 Y C 2.189 178.121 175.900 0.054 0.000 1.118 263 Y CA 0.834 58.999 58.100 0.107 0.000 1.241 263 Y CB 0.093 38.613 38.460 0.100 0.000 1.171 263 Y HN 0.155 8.435 8.280 -0.000 0.000 0.540 264 G N 0.536 109.410 108.800 0.124 0.000 4.026 264 G HA2 -0.423 3.538 3.960 0.001 0.000 0.309 264 G HA3 -0.423 3.538 3.960 0.001 0.000 0.309 264 G C 1.108 176.056 174.900 0.079 0.000 1.411 264 G CA 1.202 46.332 45.100 0.051 0.000 1.037 264 G HN 0.315 8.605 8.290 -0.000 0.000 0.687 265 K N 0.046 120.495 120.400 0.083 0.000 2.589 265 K HA 0.520 4.841 4.320 0.001 0.000 0.218 265 K C 0.621 177.271 176.600 0.083 0.000 1.468 265 K CA 1.181 57.512 56.287 0.073 0.000 1.002 265 K CB 1.831 34.357 32.500 0.044 0.000 1.200 265 K HN 1.722 9.972 8.250 -0.000 0.000 0.614 266 G N 0.393 109.258 108.800 0.109 0.000 2.302 266 G HA2 0.098 4.059 3.960 0.001 0.000 0.264 266 G HA3 0.098 4.059 3.960 0.001 0.000 0.264 266 G C -2.326 172.627 174.900 0.088 0.000 1.335 266 G CA -0.951 44.216 45.100 0.110 0.000 0.982 266 G HN -0.052 8.238 8.290 -0.000 0.000 0.473 267 L N 0.445 121.710 121.223 0.070 0.000 2.358 267 L HA 0.764 5.105 4.340 0.001 0.000 0.268 267 L C 0.482 177.369 176.870 0.028 0.000 1.032 267 L CA -1.141 53.724 54.840 0.041 0.000 0.805 267 L CB 1.144 43.227 42.059 0.040 0.000 1.253 267 L HN 0.535 8.765 8.230 -0.000 0.000 0.452 268 I N 2.863 123.441 120.570 0.013 0.000 2.648 268 I HA 0.123 4.293 4.170 0.001 0.000 0.284 268 I C 0.140 176.267 176.117 0.017 0.000 1.153 268 I CA 0.229 61.541 61.300 0.020 0.000 1.426 268 I CB -0.496 37.515 38.000 0.018 0.000 1.381 268 I HN 0.522 8.732 8.210 -0.000 0.000 0.571 269 N N 5.889 124.602 118.700 0.022 0.000 2.581 269 N HA 0.255 4.996 4.740 0.001 0.000 0.279 269 N C -1.437 174.082 175.510 0.014 0.000 1.124 269 N CA -0.281 52.779 53.050 0.017 0.000 0.833 269 N CB 1.368 39.867 38.487 0.020 0.000 1.338 269 N HN 0.213 8.593 8.380 -0.000 0.000 0.533 270 V N 4.550 124.464 119.914 -0.001 0.000 2.406 270 V HA 0.321 4.441 4.120 0.001 0.000 0.272 270 V C 0.935 177.015 176.094 -0.022 0.000 1.043 270 V CA 0.077 62.367 62.300 -0.016 0.000 0.915 270 V CB 0.919 32.716 31.823 -0.045 0.000 0.988 270 V HN 0.858 9.048 8.190 -0.000 0.000 0.466 271 Q N 3.729 123.517 119.800 -0.020 0.000 2.433 271 Q HA -0.131 4.209 4.340 0.001 0.000 0.251 271 Q C -0.016 175.986 176.000 0.003 0.000 0.728 271 Q CA 0.917 56.710 55.803 -0.017 0.000 1.242 271 Q CB -1.567 27.164 28.738 -0.013 0.000 1.149 271 Q HN 0.912 9.182 8.270 -0.000 0.000 0.801 272 A N 0.349 123.178 122.820 0.015 0.000 1.780 272 A HA 0.803 5.124 4.320 0.001 0.000 0.178 272 A C 1.550 179.159 177.584 0.043 0.000 2.054 272 A CA 0.718 52.771 52.037 0.027 0.000 1.289 272 A CB -0.721 18.294 19.000 0.024 0.000 0.942 272 A HN 0.878 9.028 8.150 -0.000 0.000 0.659 273 A N -0.358 122.493 122.820 0.051 0.000 2.238 273 A HA 0.540 4.861 4.320 0.001 0.000 0.208 273 A C 1.528 179.183 177.584 0.117 0.000 1.177 273 A CA 1.341 53.425 52.037 0.079 0.000 0.804 273 A CB -0.516 18.523 19.000 0.064 0.000 0.823 273 A HN 1.244 9.394 8.150 -0.000 0.000 0.482 274 A N -1.469 121.403 122.820 0.086 0.000 2.470 274 A HA 0.485 4.806 4.320 0.001 0.000 0.251 274 A C 0.552 178.152 177.584 0.028 0.000 1.245 274 A CA 0.654 52.740 52.037 0.081 0.000 0.932 274 A CB -0.165 18.847 19.000 0.020 0.000 1.037 274 A HN 0.668 8.818 8.150 -0.000 0.000 0.522 275 Q N 0.000 119.829 119.800 0.049 0.000 2.315 275 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 275 Q CA 0.000 55.822 55.803 0.031 0.000 1.022 275 Q CB 0.000 28.773 28.738 0.059 0.000 1.108 275 Q HN 0.000 8.270 8.270 -0.000 0.000 0.481