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 2r2r_1_A DATA FIRST_RESID 24 DATA SEQUENCE TWLSDFPQAW AETGGMGLAV RQAPLIIPLK ATSTPVSIKQ YPMSQEARLG DATA SEQUENCE IKPHIQRLLD QGILVPCQSP WNTPLLPVKK PGTNDYRPVQ DLREVNKRVE DATA SEQUENCE DIHPTVPNPY NLLSGLPPSH QWYTVLDLKD AFFCLRLHPT SQPLFAFEWR DATA SEQUENCE DPEMGISGQL TWTRLPQGFK NSPTLFDEAL HRDLADFRIQ HPDLILLQYV DATA SEQUENCE DDLLLAATSE LDCQQGTRAL LQTLGNLGYR ASAKKAQICQ KQVKYLGYLL DATA SEQUENCE KEGQR 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 24 T HA 0.000 4.350 4.350 0.000 0.000 0.228 24 T C 0.000 174.775 174.700 0.125 0.000 1.109 24 T CA 0.000 62.161 62.100 0.102 0.000 1.349 24 T CB 0.000 68.887 68.868 0.032 0.000 0.612 25 W N 1.433 122.783 121.300 0.083 0.000 2.421 25 W HA 0.166 4.826 4.660 0.000 0.000 0.270 25 W C 2.113 178.830 176.519 0.331 0.000 1.233 25 W CA 0.236 57.734 57.345 0.254 0.000 1.226 25 W CB -0.277 29.426 29.460 0.405 0.000 1.121 25 W HN 0.623 8.803 8.180 0.000 0.000 0.579 26 L N 0.587 121.956 121.223 0.243 0.000 2.131 26 L HA -0.240 4.101 4.340 0.001 0.000 0.210 26 L C 2.516 179.502 176.870 0.194 0.000 1.092 26 L CA 1.961 56.815 54.840 0.022 0.000 0.759 26 L CB -0.476 41.464 42.059 -0.198 0.000 0.903 26 L HN 0.059 8.289 8.230 0.000 0.000 0.435 27 S N -2.320 113.448 115.700 0.113 0.000 2.439 27 S HA -0.091 4.379 4.470 0.001 0.000 0.224 27 S C 1.522 176.117 174.600 -0.009 0.000 1.029 27 S CA 0.458 58.689 58.200 0.051 0.000 0.946 27 S CB -0.242 62.957 63.200 -0.003 0.000 0.797 27 S HN 0.386 8.696 8.310 0.000 0.000 0.504 28 D N 0.841 121.181 120.400 -0.100 0.000 2.178 28 D HA 0.054 4.694 4.640 0.001 0.000 0.202 28 D C -0.572 175.360 176.300 -0.614 0.000 0.974 28 D CA 0.954 54.686 54.000 -0.447 0.000 0.841 28 D CB -0.055 40.309 40.800 -0.726 0.000 0.953 28 D HN 0.444 8.814 8.370 0.000 0.000 0.478 29 F N -0.561 119.537 119.950 0.246 0.000 2.660 29 F HA 0.290 4.817 4.527 0.000 0.000 0.352 29 F C -1.911 174.050 175.800 0.268 0.000 1.257 29 F CA -2.143 55.977 58.000 0.200 0.000 1.200 29 F CB 1.911 40.998 39.000 0.145 0.000 1.473 29 F HN -0.226 8.074 8.300 0.000 0.000 0.561 30 P HA -0.175 4.245 4.420 0.000 0.000 0.216 30 P C 1.756 179.198 177.300 0.237 0.000 1.153 30 P CA 1.181 64.459 63.100 0.296 0.000 0.844 30 P CB 0.288 32.092 31.700 0.173 0.000 0.787 31 Q N -0.478 119.421 119.800 0.165 0.000 2.291 31 Q HA -0.116 4.224 4.340 0.001 0.000 0.206 31 Q C 1.719 177.738 176.000 0.032 0.000 0.976 31 Q CA 1.339 57.201 55.803 0.097 0.000 0.875 31 Q CB -0.419 28.369 28.738 0.083 0.000 0.927 31 Q HN 0.108 8.378 8.270 0.000 0.000 0.450 32 A N -0.650 122.138 122.820 -0.052 0.000 2.123 32 A HA 0.013 4.333 4.320 0.001 0.000 0.214 32 A C -0.290 177.037 177.584 -0.428 0.000 1.152 32 A CA -0.121 51.725 52.037 -0.319 0.000 0.728 32 A CB -0.054 18.607 19.000 -0.565 0.000 0.814 32 A HN 0.362 8.512 8.150 0.000 0.000 0.464 33 W N -1.780 119.586 121.300 0.110 0.000 2.520 33 W HA 0.577 5.237 4.660 0.001 0.000 0.323 33 W C 1.180 177.741 176.519 0.070 0.000 1.062 33 W CA -0.359 57.038 57.345 0.087 0.000 1.215 33 W CB 1.544 31.063 29.460 0.099 0.000 1.340 33 W HN 0.099 8.279 8.180 0.000 0.000 0.516 34 A N 1.525 124.526 122.820 0.302 0.000 1.933 34 A HA -0.215 4.105 4.320 0.001 0.000 0.218 34 A C 1.741 179.429 177.584 0.173 0.000 1.175 34 A CA 1.743 53.891 52.037 0.186 0.000 0.628 34 A CB -0.303 18.785 19.000 0.146 0.000 0.814 34 A HN 0.718 8.868 8.150 0.000 0.000 0.444 35 E N -0.469 119.851 120.200 0.201 0.000 2.118 35 E HA -0.133 4.218 4.350 0.001 0.000 0.195 35 E C 1.938 178.616 176.600 0.130 0.000 0.992 35 E CA 1.981 58.461 56.400 0.133 0.000 0.804 35 E CB -0.315 29.439 29.700 0.090 0.000 0.741 35 E HN 0.819 9.179 8.360 0.000 0.000 0.458 36 T N -5.361 109.303 114.554 0.183 0.000 3.058 36 T HA 0.274 4.624 4.350 0.001 0.000 0.278 36 T C 1.544 176.329 174.700 0.141 0.000 0.974 36 T CA 0.156 62.346 62.100 0.151 0.000 0.893 36 T CB 0.639 69.606 68.868 0.166 0.000 1.138 36 T HN 0.123 8.363 8.240 0.000 0.000 0.529 37 G N 0.697 109.587 108.800 0.150 0.000 2.986 37 G HA2 0.530 4.490 3.960 0.001 0.000 0.213 37 G HA3 0.530 4.490 3.960 0.001 0.000 0.213 37 G C 0.943 175.892 174.900 0.082 0.000 1.156 37 G CA 0.071 45.237 45.100 0.111 0.000 0.763 37 G HN 1.079 9.369 8.290 0.000 0.000 0.547 38 G N -0.310 108.540 108.800 0.083 0.000 2.795 38 G HA2 0.030 3.990 3.960 0.001 0.000 0.664 38 G HA3 0.030 3.990 3.960 0.001 0.000 0.664 38 G C -0.065 174.876 174.900 0.069 0.000 1.381 38 G CA -0.169 44.971 45.100 0.066 0.000 0.853 38 G HN 0.752 9.042 8.290 0.000 0.000 0.545 39 M N 1.198 120.836 119.600 0.065 0.000 2.250 39 M HA 0.525 5.005 4.480 0.001 0.000 0.337 39 M C 1.213 177.551 176.300 0.064 0.000 1.161 39 M CA 0.977 56.323 55.300 0.077 0.000 1.088 39 M CB 0.193 32.838 32.600 0.075 0.000 1.639 39 M HN 1.637 9.927 8.290 0.000 0.000 0.447 40 G N 4.185 113.030 108.800 0.075 0.000 2.580 40 G HA2 0.588 4.548 3.960 0.001 0.000 0.278 40 G HA3 0.588 4.548 3.960 0.001 0.000 0.278 40 G C -1.543 173.369 174.900 0.020 0.000 1.212 40 G CA -0.751 44.373 45.100 0.040 0.000 0.939 40 G HN 0.954 9.244 8.290 0.000 0.000 0.513 41 L N -0.257 120.932 121.223 -0.057 0.000 2.973 41 L HA 0.490 4.830 4.340 0.001 0.000 0.254 41 L C -0.011 176.747 176.870 -0.187 0.000 0.947 41 L CA -0.853 53.947 54.840 -0.067 0.000 1.064 41 L CB 1.067 43.108 42.059 -0.030 0.000 1.534 41 L HN 0.732 8.962 8.230 0.000 0.000 0.504 42 A N 3.995 126.655 122.820 -0.268 0.000 2.785 42 A HA 0.328 4.648 4.320 0.001 0.000 0.294 42 A C 1.309 178.792 177.584 -0.169 0.000 1.597 42 A CA 0.294 52.087 52.037 -0.407 0.000 1.283 42 A CB -0.102 18.657 19.000 -0.402 0.000 1.088 42 A HN 1.072 9.222 8.150 0.000 0.000 0.568 43 V N 1.033 120.864 119.914 -0.138 0.000 2.688 43 V HA -0.203 3.918 4.120 0.001 0.000 0.256 43 V C 1.816 177.889 176.094 -0.035 0.000 1.084 43 V CA 1.792 64.053 62.300 -0.064 0.000 1.103 43 V CB -0.781 31.012 31.823 -0.050 0.000 0.688 43 V HN 0.771 8.961 8.190 0.000 0.000 0.480 44 R N -0.289 120.191 120.500 -0.034 0.000 2.246 44 R HA 0.226 4.566 4.340 0.001 0.000 0.199 44 R C 0.574 176.881 176.300 0.012 0.000 0.984 44 R CA 0.096 56.196 56.100 -0.000 0.000 1.015 44 R CB -0.237 30.073 30.300 0.017 0.000 0.930 44 R HN 0.555 8.825 8.270 0.000 0.000 0.475 45 Q N 0.914 120.719 119.800 0.007 0.000 2.279 45 Q HA 0.363 4.704 4.340 0.001 0.000 0.256 45 Q C -0.381 175.639 176.000 0.034 0.000 0.937 45 Q CA -0.247 55.573 55.803 0.028 0.000 0.933 45 Q CB 1.665 30.427 28.738 0.040 0.000 1.189 45 Q HN 0.080 8.350 8.270 0.000 0.000 0.417 46 A N 5.162 128.008 122.820 0.044 0.000 2.445 46 A HA 0.388 4.708 4.320 0.001 0.000 0.242 46 A C -1.977 175.652 177.584 0.075 0.000 1.075 46 A CA -0.999 51.072 52.037 0.056 0.000 0.777 46 A CB -0.385 18.652 19.000 0.062 0.000 1.013 46 A HN 0.442 8.592 8.150 0.000 0.000 0.493 47 P HA 0.111 4.531 4.420 0.000 0.000 0.262 47 P C -0.680 176.711 177.300 0.152 0.000 1.182 47 P CA 0.396 63.558 63.100 0.103 0.000 0.761 47 P CB 0.238 31.977 31.700 0.064 0.000 0.795 48 L N 4.195 125.498 121.223 0.134 0.000 2.416 48 L HA 0.249 4.590 4.340 0.001 0.000 0.272 48 L C 0.623 177.575 176.870 0.136 0.000 1.161 48 L CA -0.039 54.876 54.840 0.125 0.000 0.845 48 L CB 0.059 42.187 42.059 0.115 0.000 1.119 48 L HN 0.266 8.496 8.230 0.000 0.000 0.464 49 I N 4.325 124.941 120.570 0.077 0.000 2.354 49 I HA 0.250 4.420 4.170 0.001 0.000 0.292 49 I C -0.294 175.848 176.117 0.041 0.000 0.989 49 I CA -0.565 60.744 61.300 0.016 0.000 1.188 49 I CB 1.732 39.675 38.000 -0.094 0.000 1.342 49 I HN 0.353 8.563 8.210 0.000 0.000 0.457 50 I N 8.178 128.769 120.570 0.036 0.000 2.307 50 I HA 0.316 4.486 4.170 0.001 0.000 0.287 50 I C -2.155 173.969 176.117 0.013 0.000 1.054 50 I CA -2.460 58.874 61.300 0.057 0.000 1.218 50 I CB 0.075 38.085 38.000 0.017 0.000 1.398 50 I HN 0.206 8.416 8.210 0.000 0.000 0.475 51 P HA 0.332 4.752 4.420 0.000 0.000 0.276 51 P C -0.217 177.105 177.300 0.036 0.000 1.230 51 P CA -0.274 62.842 63.100 0.026 0.000 0.776 51 P CB 0.863 32.581 31.700 0.032 0.000 0.888 52 L N 2.216 123.458 121.223 0.031 0.000 2.416 52 L HA 0.384 4.724 4.340 0.001 0.000 0.262 52 L C 0.978 177.886 176.870 0.064 0.000 1.093 52 L CA -0.998 53.875 54.840 0.055 0.000 0.801 52 L CB 0.543 42.655 42.059 0.089 0.000 1.191 52 L HN 0.274 8.504 8.230 0.000 0.000 0.459 53 K N 0.289 120.735 120.400 0.077 0.000 2.319 53 K HA 0.150 4.470 4.320 0.001 0.000 0.265 53 K C 0.979 177.614 176.600 0.058 0.000 1.000 53 K CA 0.158 56.483 56.287 0.064 0.000 0.943 53 K CB 0.858 33.398 32.500 0.068 0.000 0.950 53 K HN 0.721 8.971 8.250 0.000 0.000 0.485 54 A N 1.504 124.350 122.820 0.044 0.000 1.903 54 A HA -0.219 4.102 4.320 0.001 0.000 0.219 54 A C 1.985 179.591 177.584 0.036 0.000 1.191 54 A CA 2.569 54.627 52.037 0.036 0.000 0.638 54 A CB -1.004 18.013 19.000 0.028 0.000 0.823 54 A HN 0.888 9.038 8.150 0.000 0.000 0.451 55 T N -3.134 111.442 114.554 0.037 0.000 3.086 55 T HA 0.262 4.612 4.350 0.001 0.000 0.250 55 T C 0.657 175.379 174.700 0.036 0.000 1.074 55 T CA 0.496 62.615 62.100 0.031 0.000 0.988 55 T CB -0.293 68.590 68.868 0.025 0.000 0.988 55 T HN 0.171 8.411 8.240 0.000 0.000 0.530 56 S N 2.139 117.876 115.700 0.062 0.000 2.549 56 S HA 0.370 4.840 4.470 0.001 0.000 0.286 56 S C 0.165 174.796 174.600 0.052 0.000 1.314 56 S CA -0.140 58.112 58.200 0.086 0.000 1.062 56 S CB 0.660 63.960 63.200 0.167 0.000 0.865 56 S HN 0.497 8.807 8.310 0.000 0.000 0.498 57 T N 4.084 118.623 114.554 -0.026 0.000 2.907 57 T HA 0.488 4.838 4.350 0.001 0.000 0.292 57 T C -2.640 171.787 174.700 -0.454 0.000 1.043 57 T CA -1.373 60.633 62.100 -0.157 0.000 1.003 57 T CB 1.577 70.366 68.868 -0.130 0.000 1.084 57 T HN 0.222 8.462 8.240 0.000 0.000 0.483 58 P HA 0.210 4.630 4.420 0.000 0.000 0.266 58 P C -1.181 175.571 177.300 -0.914 0.000 1.195 58 P CA -0.286 61.796 63.100 -1.696 0.000 0.768 58 P CB 0.482 31.294 31.700 -1.481 0.000 0.838 59 V N 2.955 122.403 119.914 -0.776 0.000 2.448 59 V HA 0.487 4.607 4.120 0.001 0.000 0.295 59 V C -0.510 175.520 176.094 -0.107 0.000 1.025 59 V CA -0.226 61.931 62.300 -0.239 0.000 0.859 59 V CB 1.618 33.426 31.823 -0.024 0.000 0.988 59 V HN 0.493 8.683 8.190 0.000 0.000 0.431 60 S N 7.530 123.181 115.700 -0.081 0.000 2.667 60 S HA 0.597 5.067 4.470 0.001 0.000 0.304 60 S C -0.696 173.906 174.600 0.003 0.000 1.135 60 S CA -0.567 57.620 58.200 -0.020 0.000 1.125 60 S CB 0.195 63.364 63.200 -0.051 0.000 0.996 60 S HN 0.628 8.938 8.310 0.000 0.000 0.474 61 I N 4.682 125.267 120.570 0.025 0.000 2.321 61 I HA 0.334 4.504 4.170 0.001 0.000 0.291 61 I C 0.457 176.555 176.117 -0.031 0.000 0.998 61 I CA -0.698 60.604 61.300 0.004 0.000 1.227 61 I CB 1.206 39.208 38.000 0.003 0.000 1.368 61 I HN 0.484 8.694 8.210 0.000 0.000 0.466 62 K N 4.957 125.343 120.400 -0.023 0.000 2.414 62 K HA -0.025 4.296 4.320 0.001 0.000 0.272 62 K C 0.082 176.616 176.600 -0.111 0.000 0.993 62 K CA -0.298 55.973 56.287 -0.027 0.000 0.964 62 K CB 0.621 33.128 32.500 0.013 0.000 0.925 62 K HN 0.435 8.685 8.250 0.000 0.000 0.487 63 Q N 2.972 122.729 119.800 -0.071 0.000 2.311 63 Q HA 0.014 4.355 4.340 0.001 0.000 0.272 63 Q C -1.483 174.498 176.000 -0.032 0.000 1.012 63 Q CA 0.364 56.105 55.803 -0.105 0.000 0.891 63 Q CB 0.292 29.035 28.738 0.009 0.000 1.201 63 Q HN 0.346 8.616 8.270 0.000 0.000 0.391 64 Y N 4.867 125.203 120.300 0.061 0.000 2.442 64 Y HA 0.246 4.796 4.550 0.001 0.000 0.330 64 Y C -1.689 174.228 175.900 0.027 0.000 1.129 64 Y CA -2.490 55.635 58.100 0.042 0.000 1.365 64 Y CB -0.304 38.182 38.460 0.045 0.000 1.233 64 Y HN 0.635 8.915 8.280 0.000 0.000 0.529 65 P HA -0.045 4.375 4.420 0.000 0.000 0.260 65 P C -0.372 176.971 177.300 0.071 0.000 1.172 65 P CA 0.423 63.572 63.100 0.081 0.000 0.760 65 P CB 0.329 32.063 31.700 0.057 0.000 0.773 66 M N 2.954 122.571 119.600 0.028 0.000 2.364 66 M HA 0.337 4.817 4.480 0.001 0.000 0.334 66 M C 0.053 176.334 176.300 -0.031 0.000 1.107 66 M CA -0.582 54.721 55.300 0.006 0.000 0.988 66 M CB 1.446 34.047 32.600 0.002 0.000 1.673 66 M HN 0.360 8.650 8.290 0.000 0.000 0.441 67 S N 2.561 118.237 115.700 -0.041 0.000 2.593 67 S HA 0.065 4.535 4.470 0.001 0.000 0.269 67 S C 0.687 175.248 174.600 -0.065 0.000 1.334 67 S CA -0.336 57.837 58.200 -0.044 0.000 1.015 67 S CB 1.273 64.453 63.200 -0.034 0.000 0.912 67 S HN 0.954 9.264 8.310 0.000 0.000 0.541 68 Q N 0.629 120.402 119.800 -0.044 0.000 2.135 68 Q HA -0.241 4.100 4.340 0.001 0.000 0.204 68 Q C 2.007 177.986 176.000 -0.037 0.000 0.981 68 Q CA 1.986 57.766 55.803 -0.038 0.000 0.856 68 Q CB -0.279 28.447 28.738 -0.019 0.000 0.902 68 Q HN 0.963 9.233 8.270 0.000 0.000 0.425 69 E N -0.318 119.861 120.200 -0.035 0.000 2.038 69 E HA -0.249 4.101 4.350 0.001 0.000 0.195 69 E C 1.833 178.336 176.600 -0.162 0.000 1.000 69 E CA 1.318 57.705 56.400 -0.022 0.000 0.803 69 E CB -0.250 29.475 29.700 0.043 0.000 0.750 69 E HN 0.483 8.843 8.360 0.000 0.000 0.448 70 A N 1.301 123.885 122.820 -0.393 0.000 1.902 70 A HA -0.190 4.130 4.320 0.001 0.000 0.217 70 A C 2.245 179.673 177.584 -0.260 0.000 1.181 70 A CA 1.558 53.130 52.037 -0.776 0.000 0.623 70 A CB -0.593 18.019 19.000 -0.646 0.000 0.818 70 A HN 0.239 8.389 8.150 0.000 0.000 0.443 71 R N -0.939 119.508 120.500 -0.088 0.000 2.073 71 R HA -0.134 4.206 4.340 0.001 0.000 0.234 71 R C 1.870 178.273 176.300 0.170 0.000 1.134 71 R CA 1.610 57.754 56.100 0.074 0.000 0.952 71 R CB -0.389 29.884 30.300 -0.044 0.000 0.850 71 R HN 0.404 8.674 8.270 0.000 0.000 0.433 72 L N -0.188 121.088 121.223 0.088 0.000 2.083 72 L HA -0.060 4.281 4.340 0.001 0.000 0.209 72 L C 2.436 179.400 176.870 0.156 0.000 1.083 72 L CA 2.100 57.011 54.840 0.119 0.000 0.752 72 L CB -1.132 40.975 42.059 0.080 0.000 0.899 72 L HN 0.358 8.588 8.230 0.000 0.000 0.433 73 G N -0.886 108.007 108.800 0.155 0.000 2.408 73 G HA2 -0.185 3.776 3.960 0.001 0.000 0.217 73 G HA3 -0.185 3.776 3.960 0.001 0.000 0.217 73 G C 1.681 176.778 174.900 0.328 0.000 1.150 73 G CA 0.730 45.985 45.100 0.258 0.000 0.776 73 G HN 0.386 8.676 8.290 0.000 0.000 0.542 74 I N 0.007 120.749 120.570 0.288 0.000 2.584 74 I HA -0.005 4.165 4.170 0.001 0.000 0.255 74 I C 2.562 178.833 176.117 0.257 0.000 1.145 74 I CA 0.625 62.116 61.300 0.320 0.000 1.462 74 I CB -0.121 38.033 38.000 0.256 0.000 1.102 74 I HN 0.125 8.335 8.210 0.000 0.000 0.433 75 K N 1.675 122.255 120.400 0.299 0.000 2.052 75 K HA -0.232 4.088 4.320 0.001 0.000 0.215 75 K C -0.585 176.042 176.600 0.045 0.000 1.053 75 K CA 2.285 58.712 56.287 0.233 0.000 0.934 75 K CB -1.006 31.686 32.500 0.321 0.000 0.717 75 K HN 0.150 8.400 8.250 0.000 0.000 0.450 76 P HA -0.139 4.281 4.420 0.000 0.000 0.216 76 P C 0.510 177.711 177.300 -0.165 0.000 1.153 76 P CA 1.632 64.667 63.100 -0.109 0.000 0.858 76 P CB -0.072 31.513 31.700 -0.192 0.000 0.789 77 H N -1.258 117.799 119.070 -0.022 0.000 2.321 77 H HA -0.085 4.472 4.556 0.001 0.000 0.300 77 H C 1.914 177.180 175.328 -0.103 0.000 1.087 77 H CA 1.048 57.079 56.048 -0.028 0.000 1.319 77 H CB -0.836 28.928 29.762 0.004 0.000 1.379 77 H HN 0.019 8.299 8.280 0.000 0.000 0.501 78 I N 0.709 121.214 120.570 -0.109 0.000 2.226 78 I HA -0.235 3.935 4.170 0.001 0.000 0.245 78 I C 2.392 178.366 176.117 -0.239 0.000 1.100 78 I CA 1.296 62.403 61.300 -0.321 0.000 1.374 78 I CB -0.962 36.534 38.000 -0.840 0.000 1.057 78 I HN 0.308 8.518 8.210 0.000 0.000 0.413 79 Q N 1.308 121.011 119.800 -0.163 0.000 2.050 79 Q HA -0.212 4.128 4.340 0.001 0.000 0.202 79 Q C 2.414 178.366 176.000 -0.081 0.000 0.980 79 Q CA 1.781 57.526 55.803 -0.097 0.000 0.840 79 Q CB -0.393 28.319 28.738 -0.043 0.000 0.898 79 Q HN 0.328 8.598 8.270 0.000 0.000 0.424 80 R N -0.555 119.905 120.500 -0.067 0.000 2.081 80 R HA -0.102 4.238 4.340 0.001 0.000 0.235 80 R C 2.242 178.512 176.300 -0.051 0.000 1.131 80 R CA 1.440 57.514 56.100 -0.043 0.000 0.960 80 R CB -0.329 29.958 30.300 -0.021 0.000 0.856 80 R HN 0.380 8.650 8.270 0.000 0.000 0.436 81 L N 0.618 121.798 121.223 -0.071 0.000 2.083 81 L HA -0.190 4.150 4.340 0.001 0.000 0.209 81 L C 2.414 179.192 176.870 -0.154 0.000 1.083 81 L CA 1.014 55.783 54.840 -0.119 0.000 0.752 81 L CB -0.286 41.677 42.059 -0.161 0.000 0.899 81 L HN 0.271 8.501 8.230 0.000 0.000 0.433 82 L N -0.634 120.496 121.223 -0.155 0.000 2.027 82 L HA -0.210 4.130 4.340 0.001 0.000 0.206 82 L C 2.207 179.020 176.870 -0.096 0.000 1.074 82 L CA 1.088 55.842 54.840 -0.143 0.000 0.745 82 L CB -0.548 41.430 42.059 -0.135 0.000 0.898 82 L HN 0.258 8.488 8.230 0.000 0.000 0.433 83 D N -0.301 120.055 120.400 -0.073 0.000 2.178 83 D HA -0.193 4.447 4.640 0.001 0.000 0.201 83 D C 2.102 178.375 176.300 -0.043 0.000 0.980 83 D CA 1.098 55.069 54.000 -0.048 0.000 0.842 83 D CB -0.091 40.688 40.800 -0.034 0.000 0.948 83 D HN 0.431 8.801 8.370 0.000 0.000 0.472 84 Q N -0.691 119.079 119.800 -0.051 0.000 2.451 84 Q HA 0.180 4.520 4.340 0.001 0.000 0.206 84 Q C 1.180 177.148 176.000 -0.054 0.000 0.947 84 Q CA 0.524 56.303 55.803 -0.040 0.000 0.937 84 Q CB 0.549 29.267 28.738 -0.032 0.000 1.025 84 Q HN 0.311 8.581 8.270 0.000 0.000 0.511 85 G N 0.771 109.527 108.800 -0.075 0.000 2.162 85 G HA2 -0.291 3.669 3.960 0.001 0.000 0.260 85 G HA3 -0.291 3.669 3.960 0.001 0.000 0.260 85 G C 0.704 175.544 174.900 -0.100 0.000 0.976 85 G CA 0.414 45.467 45.100 -0.078 0.000 0.655 85 G HN 0.411 8.701 8.290 0.000 0.000 0.533 86 I N -0.292 120.195 120.570 -0.138 0.000 2.617 86 I HA 0.203 4.374 4.170 0.001 0.000 0.256 86 I C 1.281 177.270 176.117 -0.214 0.000 1.167 86 I CA 0.828 62.020 61.300 -0.180 0.000 1.469 86 I CB -0.018 37.793 38.000 -0.316 0.000 1.098 86 I HN 0.121 8.331 8.210 0.000 0.000 0.436 87 L N 1.335 122.388 121.223 -0.283 0.000 2.346 87 L HA 0.558 4.898 4.340 0.001 0.000 0.274 87 L C -0.744 175.966 176.870 -0.267 0.000 1.007 87 L CA -0.772 53.831 54.840 -0.395 0.000 0.818 87 L CB 2.211 43.970 42.059 -0.499 0.000 1.284 87 L HN -0.172 8.058 8.230 0.000 0.000 0.424 88 V N 0.711 120.470 119.914 -0.258 0.000 3.049 88 V HA 0.653 4.773 4.120 0.001 0.000 0.309 88 V C -2.807 173.173 176.094 -0.190 0.000 1.148 88 V CA -2.466 59.726 62.300 -0.179 0.000 0.990 88 V CB 1.833 33.585 31.823 -0.119 0.000 1.039 88 V HN 0.471 8.661 8.190 0.000 0.000 0.430 89 P HA 0.537 4.957 4.420 0.000 0.000 0.272 89 P C -0.447 176.788 177.300 -0.107 0.000 1.230 89 P CA 0.036 63.060 63.100 -0.126 0.000 0.788 89 P CB 0.508 32.160 31.700 -0.080 0.000 0.949 90 C N 0.159 119.399 119.300 -0.100 0.000 3.275 90 C HA 0.600 5.060 4.460 0.001 0.000 0.340 90 C C -1.850 173.110 174.990 -0.050 0.000 1.366 90 C CA -0.576 58.402 59.018 -0.066 0.000 1.227 90 C CB 0.953 28.655 27.740 -0.065 0.000 1.512 90 C HN 0.588 8.818 8.230 0.000 0.000 0.461 91 Q N 1.469 121.256 119.800 -0.021 0.000 2.290 91 Q HA 0.677 5.017 4.340 0.001 0.000 0.269 91 Q C -0.973 175.038 176.000 0.018 0.000 1.016 91 Q CA 0.218 56.017 55.803 -0.008 0.000 0.754 91 Q CB 1.835 30.569 28.738 -0.007 0.000 1.247 91 Q HN 1.064 9.334 8.270 0.000 0.000 0.451 92 S N 3.001 118.722 115.700 0.036 0.000 2.546 92 S HA 0.592 5.063 4.470 0.001 0.000 0.274 92 S C -2.267 172.382 174.600 0.082 0.000 1.121 92 S CA -1.352 56.902 58.200 0.090 0.000 0.887 92 S CB 1.444 64.729 63.200 0.142 0.000 1.094 92 S HN 0.602 8.912 8.310 0.000 0.000 0.474 93 P HA 0.133 4.553 4.420 0.000 0.000 0.241 93 P C -0.489 176.728 177.300 -0.138 0.000 1.191 93 P CA 0.286 63.342 63.100 -0.073 0.000 0.771 93 P CB 0.010 31.618 31.700 -0.154 0.000 0.929 94 W N 1.022 122.306 121.300 -0.026 0.000 2.512 94 W HA 0.524 5.184 4.660 0.000 0.000 0.335 94 W C 0.204 176.724 176.519 0.003 0.000 1.088 94 W CA -0.153 57.177 57.345 -0.025 0.000 1.236 94 W CB 0.778 30.201 29.460 -0.061 0.000 1.307 94 W HN -0.165 8.015 8.180 0.000 0.000 0.567 95 N N 0.486 119.340 118.700 0.256 0.000 2.521 95 N HA 0.449 5.189 4.740 0.001 0.000 0.269 95 N C -1.459 174.157 175.510 0.177 0.000 1.079 95 N CA -0.408 52.758 53.050 0.194 0.000 0.980 95 N CB 1.282 39.836 38.487 0.112 0.000 1.667 95 N HN 0.314 8.694 8.380 0.000 0.000 0.498 96 T N 0.348 115.026 114.554 0.208 0.000 2.907 96 T HA 0.684 5.034 4.350 0.001 0.000 0.292 96 T C -2.967 171.796 174.700 0.105 0.000 1.043 96 T CA -1.807 60.383 62.100 0.151 0.000 1.003 96 T CB 2.179 71.164 68.868 0.195 0.000 1.084 96 T HN 0.247 8.487 8.240 0.000 0.000 0.483 97 P HA 0.383 4.803 4.420 0.000 0.000 0.278 97 P C -0.991 176.301 177.300 -0.014 0.000 1.238 97 P CA -0.676 62.330 63.100 -0.156 0.000 0.794 97 P CB 0.902 32.194 31.700 -0.679 0.000 0.955 98 L N 3.460 124.696 121.223 0.023 0.000 2.312 98 L HA 0.361 4.702 4.340 0.001 0.000 0.281 98 L C -0.270 176.658 176.870 0.097 0.000 1.070 98 L CA -0.389 54.467 54.840 0.027 0.000 0.805 98 L CB 0.376 42.465 42.059 0.049 0.000 1.174 98 L HN 0.261 8.492 8.230 0.000 0.000 0.434 99 L N 6.309 127.591 121.223 0.099 0.000 2.313 99 L HA 0.501 4.841 4.340 0.001 0.000 0.283 99 L C -2.232 174.713 176.870 0.125 0.000 1.013 99 L CA -1.718 53.207 54.840 0.141 0.000 0.816 99 L CB 1.738 43.880 42.059 0.139 0.000 1.236 99 L HN 0.470 8.700 8.230 0.000 0.000 0.419 100 P HA 0.183 4.603 4.420 0.000 0.000 0.283 100 P C -0.838 176.659 177.300 0.328 0.000 1.412 100 P CA -0.215 62.998 63.100 0.189 0.000 0.912 100 P CB 0.966 32.678 31.700 0.020 0.000 1.132 101 V N 5.178 125.246 119.914 0.255 0.000 2.398 101 V HA 0.287 4.407 4.120 0.001 0.000 0.286 101 V C 0.560 176.692 176.094 0.064 0.000 1.026 101 V CA -0.604 61.788 62.300 0.152 0.000 0.868 101 V CB 1.371 33.233 31.823 0.065 0.000 0.982 101 V HN 0.428 8.618 8.190 0.000 0.000 0.443 102 K N 4.359 124.692 120.400 -0.111 0.000 2.299 102 K HA 0.466 4.786 4.320 0.001 0.000 0.268 102 K C 0.672 177.174 176.600 -0.163 0.000 1.075 102 K CA -0.781 55.314 56.287 -0.320 0.000 0.936 102 K CB 1.327 33.411 32.500 -0.693 0.000 1.228 102 K HN 0.193 8.443 8.250 0.000 0.000 0.454 103 K N 1.644 121.980 120.400 -0.107 0.000 2.089 103 K HA -0.075 4.245 4.320 0.001 0.000 0.210 103 K C -1.149 175.407 176.600 -0.075 0.000 1.048 103 K CA 1.377 57.621 56.287 -0.072 0.000 0.926 103 K CB -1.157 31.311 32.500 -0.053 0.000 0.714 103 K HN 0.628 8.878 8.250 0.000 0.000 0.448 104 P HA 0.015 4.435 4.420 0.000 0.000 0.317 104 P C 0.894 178.146 177.300 -0.080 0.000 1.316 104 P CA 0.284 63.337 63.100 -0.077 0.000 0.744 104 P CB 0.102 31.754 31.700 -0.080 0.000 1.521 105 G N -2.362 106.398 108.800 -0.066 0.000 2.887 105 G HA2 0.142 4.102 3.960 0.001 0.000 0.211 105 G HA3 0.142 4.102 3.960 0.001 0.000 0.211 105 G C 0.485 175.347 174.900 -0.063 0.000 1.152 105 G CA 0.804 45.871 45.100 -0.055 0.000 0.769 105 G HN 0.602 8.892 8.290 0.000 0.000 0.541 106 T N -0.558 113.945 114.554 -0.084 0.000 5.101 106 T HA 0.157 4.508 4.350 0.001 0.000 0.314 106 T C -0.799 173.841 174.700 -0.099 0.000 0.900 106 T CA -0.550 61.498 62.100 -0.086 0.000 0.704 106 T CB -0.959 67.888 68.868 -0.035 0.000 0.734 106 T HN 0.153 8.393 8.240 0.000 0.000 0.331 107 N N 1.122 119.733 118.700 -0.150 0.000 3.312 107 N HA 0.402 5.143 4.740 0.001 0.000 0.361 107 N C -0.933 174.463 175.510 -0.190 0.000 1.476 107 N CA -0.437 52.545 53.050 -0.114 0.000 0.669 107 N CB -0.220 38.229 38.487 -0.064 0.000 1.629 107 N HN 0.498 8.878 8.380 0.000 0.000 0.612 108 D N -0.048 120.311 120.400 -0.069 0.000 2.667 108 D HA -0.139 4.501 4.640 0.001 0.000 0.226 108 D C -0.578 175.675 176.300 -0.078 0.000 1.137 108 D CA 0.928 54.934 54.000 0.009 0.000 0.855 108 D CB -0.116 40.726 40.800 0.071 0.000 1.194 108 D HN 0.290 8.660 8.370 0.000 0.000 0.492 109 Y N 0.679 121.029 120.300 0.083 0.000 2.480 109 Y HA 0.596 5.147 4.550 0.001 0.000 0.323 109 Y C 0.809 176.694 175.900 -0.025 0.000 1.267 109 Y CA -0.707 57.421 58.100 0.046 0.000 1.336 109 Y CB 1.421 39.923 38.460 0.071 0.000 1.361 109 Y HN 0.264 8.544 8.280 0.000 0.000 0.518 110 R N 0.939 121.492 120.500 0.089 0.000 2.604 110 R HA 0.322 4.663 4.340 0.001 0.000 0.270 110 R C -3.208 173.053 176.300 -0.066 0.000 1.052 110 R CA -2.140 53.843 56.100 -0.195 0.000 0.902 110 R CB 1.786 31.979 30.300 -0.178 0.000 1.233 110 R HN 0.298 8.568 8.270 0.000 0.000 0.455 111 P HA 0.151 4.571 4.420 0.000 0.000 0.282 111 P C -0.643 176.645 177.300 -0.020 0.000 1.262 111 P CA -0.326 62.756 63.100 -0.031 0.000 0.773 111 P CB 1.387 33.051 31.700 -0.060 0.000 0.879 112 V N 4.727 124.645 119.914 0.005 0.000 2.407 112 V HA 0.264 4.385 4.120 0.001 0.000 0.291 112 V C 0.378 176.480 176.094 0.014 0.000 1.018 112 V CA -0.552 61.752 62.300 0.007 0.000 0.842 112 V CB 1.468 33.304 31.823 0.023 0.000 0.996 112 V HN 0.549 8.739 8.190 0.000 0.000 0.426 113 Q N 2.898 122.699 119.800 0.002 0.000 2.267 113 Q HA 0.246 4.586 4.340 0.001 0.000 0.255 113 Q C -0.539 175.502 176.000 0.068 0.000 0.923 113 Q CA -0.539 55.278 55.803 0.024 0.000 0.925 113 Q CB 1.193 29.956 28.738 0.041 0.000 1.195 113 Q HN 0.757 9.027 8.270 0.000 0.000 0.417 114 D N 4.899 125.355 120.400 0.093 0.000 2.483 114 D HA 0.093 4.733 4.640 0.001 0.000 0.220 114 D C 0.069 176.450 176.300 0.134 0.000 1.173 114 D CA 0.047 54.115 54.000 0.114 0.000 0.964 114 D CB 0.213 41.096 40.800 0.138 0.000 1.046 114 D HN 0.657 9.027 8.370 0.000 0.000 0.517 115 L N 3.110 124.420 121.223 0.146 0.000 2.627 115 L HA 0.187 4.528 4.340 0.001 0.000 0.232 115 L C 2.227 179.204 176.870 0.179 0.000 1.150 115 L CA -0.144 54.810 54.840 0.191 0.000 0.917 115 L CB 0.042 42.246 42.059 0.242 0.000 1.104 115 L HN 0.216 8.446 8.230 0.000 0.000 0.445 116 R N 0.089 120.675 120.500 0.144 0.000 2.091 116 R HA -0.163 4.177 4.340 0.001 0.000 0.238 116 R C 1.816 178.197 176.300 0.135 0.000 1.136 116 R CA 1.175 57.351 56.100 0.127 0.000 0.959 116 R CB -0.044 30.319 30.300 0.104 0.000 0.856 116 R HN 0.300 8.570 8.270 0.000 0.000 0.437 117 E N 0.150 120.436 120.200 0.143 0.000 2.274 117 E HA -0.089 4.261 4.350 0.001 0.000 0.194 117 E C 2.032 178.746 176.600 0.191 0.000 0.996 117 E CA 0.702 57.191 56.400 0.149 0.000 0.840 117 E CB 0.077 29.861 29.700 0.140 0.000 0.772 117 E HN 0.154 8.514 8.360 0.000 0.000 0.491 118 V N 2.027 122.057 119.914 0.193 0.000 2.407 118 V HA -0.180 3.941 4.120 0.001 0.000 0.245 118 V C 1.903 178.087 176.094 0.150 0.000 1.041 118 V CA 1.228 63.620 62.300 0.153 0.000 1.040 118 V CB -0.408 31.426 31.823 0.018 0.000 0.671 118 V HN 0.191 8.381 8.190 0.000 0.000 0.455 119 N N 0.582 119.403 118.700 0.203 0.000 2.149 119 N HA -0.187 4.554 4.740 0.001 0.000 0.188 119 N C 1.774 177.374 175.510 0.150 0.000 1.019 119 N CA 1.345 54.526 53.050 0.219 0.000 0.857 119 N CB -0.281 38.308 38.487 0.169 0.000 0.997 119 N HN 0.508 8.888 8.380 0.000 0.000 0.426 120 K N 0.478 120.957 120.400 0.132 0.000 2.211 120 K HA 0.009 4.329 4.320 0.001 0.000 0.203 120 K C 1.667 178.337 176.600 0.116 0.000 1.050 120 K CA 0.808 57.160 56.287 0.108 0.000 0.945 120 K CB 0.058 32.618 32.500 0.099 0.000 0.732 120 K HN 0.171 8.421 8.250 0.000 0.000 0.451 121 R N 0.234 120.825 120.500 0.151 0.000 2.300 121 R HA 0.114 4.454 4.340 0.001 0.000 0.199 121 R C -0.024 176.357 176.300 0.135 0.000 0.920 121 R CA -0.088 56.114 56.100 0.169 0.000 1.046 121 R CB 0.587 31.063 30.300 0.294 0.000 0.984 121 R HN -0.099 8.171 8.270 0.000 0.000 0.493 122 V N 1.654 121.641 119.914 0.122 0.000 2.567 122 V HA 0.063 4.183 4.120 0.001 0.000 0.289 122 V C 0.207 176.366 176.094 0.108 0.000 1.049 122 V CA -0.725 61.648 62.300 0.121 0.000 0.969 122 V CB 1.615 33.581 31.823 0.240 0.000 0.995 122 V HN 0.066 8.257 8.190 0.000 0.000 0.471 123 E N 3.312 123.566 120.200 0.091 0.000 2.376 123 E HA 0.055 4.405 4.350 0.001 0.000 0.266 123 E C -0.286 176.348 176.600 0.058 0.000 1.009 123 E CA -0.039 56.401 56.400 0.068 0.000 0.902 123 E CB 0.324 30.058 29.700 0.057 0.000 0.972 123 E HN 0.588 8.948 8.360 0.000 0.000 0.439 124 D N 3.168 123.591 120.400 0.040 0.000 2.382 124 D HA 0.198 4.839 4.640 0.001 0.000 0.240 124 D C 0.379 176.692 176.300 0.022 0.000 1.146 124 D CA 0.200 54.211 54.000 0.018 0.000 0.897 124 D CB 0.495 41.306 40.800 0.017 0.000 1.197 124 D HN 0.476 8.846 8.370 0.000 0.000 0.432 125 I N -1.855 118.717 120.570 0.003 0.000 2.892 125 I HA 0.382 4.552 4.170 0.001 0.000 0.306 125 I C -0.220 175.922 176.117 0.041 0.000 1.078 125 I CA -1.147 60.168 61.300 0.025 0.000 1.032 125 I CB 1.993 39.996 38.000 0.005 0.000 1.229 125 I HN 0.128 8.338 8.210 0.000 0.000 0.435 126 H N 4.103 123.160 119.070 -0.022 0.000 2.886 126 H HA 0.323 4.879 4.556 0.000 0.000 0.329 126 H C -2.336 172.976 175.328 -0.027 0.000 1.044 126 H CA -1.321 54.714 56.048 -0.021 0.000 1.456 126 H CB 0.782 30.535 29.762 -0.015 0.000 1.464 126 H HN 0.350 8.630 8.280 0.000 0.000 0.573 127 P HA 0.068 4.488 4.420 0.000 0.000 0.271 127 P C 0.255 177.326 177.300 -0.382 0.000 1.380 127 P CA -0.136 62.745 63.100 -0.365 0.000 0.992 127 P CB 0.236 31.758 31.700 -0.297 0.000 1.230 128 T N -1.371 113.079 114.554 -0.173 0.000 3.107 128 T HA 0.079 4.429 4.350 0.001 0.000 0.249 128 T C 0.629 175.315 174.700 -0.022 0.000 1.096 128 T CA -0.017 62.049 62.100 -0.056 0.000 1.012 128 T CB -0.235 68.645 68.868 0.020 0.000 0.977 128 T HN 0.011 8.251 8.240 0.000 0.000 0.527 129 V N 5.301 125.192 119.914 -0.038 0.000 2.439 129 V HA 0.270 4.391 4.120 0.001 0.000 0.271 129 V C -1.575 174.558 176.094 0.065 0.000 1.040 129 V CA -1.916 60.385 62.300 0.002 0.000 1.002 129 V CB 0.215 31.987 31.823 -0.085 0.000 1.000 129 V HN 0.446 8.636 8.190 0.000 0.000 0.477 130 P HA 0.135 4.555 4.420 0.000 0.000 0.271 130 P C -0.539 176.898 177.300 0.228 0.000 1.218 130 P CA -0.438 62.751 63.100 0.147 0.000 0.780 130 P CB 0.567 32.352 31.700 0.143 0.000 0.901 131 N N 2.494 121.291 118.700 0.161 0.000 2.508 131 N HA 0.086 4.826 4.740 0.001 0.000 0.264 131 N C -1.974 173.586 175.510 0.082 0.000 1.216 131 N CA -1.368 51.773 53.050 0.152 0.000 0.943 131 N CB -0.718 37.833 38.487 0.105 0.000 1.113 131 N HN 0.161 8.541 8.380 0.000 0.000 0.447 132 P HA -0.250 4.170 4.420 0.000 0.000 0.217 132 P C 0.897 178.161 177.300 -0.060 0.000 1.158 132 P CA 1.355 64.334 63.100 -0.202 0.000 0.887 132 P CB -0.163 31.378 31.700 -0.265 0.000 0.792 133 Y N 0.718 120.992 120.300 -0.043 0.000 2.081 133 Y HA -0.273 4.278 4.550 0.001 0.000 0.280 133 Y C 2.074 177.939 175.900 -0.059 0.000 1.163 133 Y CA 1.868 59.939 58.100 -0.047 0.000 1.135 133 Y CB -0.987 37.480 38.460 0.013 0.000 0.970 133 Y HN -0.087 8.193 8.280 0.000 0.000 0.498 134 N N 0.169 119.008 118.700 0.232 0.000 2.166 134 N HA -0.167 4.573 4.740 0.001 0.000 0.186 134 N C 1.868 177.403 175.510 0.041 0.000 1.019 134 N CA 1.323 54.463 53.050 0.151 0.000 0.856 134 N CB -0.689 37.882 38.487 0.140 0.000 0.993 134 N HN 0.394 8.774 8.380 0.000 0.000 0.426 135 L N 1.212 122.453 121.223 0.030 0.000 2.012 135 L HA -0.069 4.271 4.340 0.001 0.000 0.210 135 L C 1.869 178.721 176.870 -0.031 0.000 1.073 135 L CA 1.369 56.229 54.840 0.034 0.000 0.748 135 L CB -0.660 41.444 42.059 0.075 0.000 0.891 135 L HN 0.067 8.297 8.230 0.000 0.000 0.431 136 L N -0.151 120.988 121.223 -0.140 0.000 2.191 136 L HA -0.128 4.212 4.340 0.001 0.000 0.212 136 L C 2.716 179.469 176.870 -0.194 0.000 1.103 136 L CA 1.823 56.533 54.840 -0.217 0.000 0.769 136 L CB -1.828 39.960 42.059 -0.451 0.000 0.908 136 L HN 0.636 8.866 8.230 0.000 0.000 0.438 137 S N -0.677 114.916 115.700 -0.178 0.000 2.528 137 S HA -0.082 4.388 4.470 0.001 0.000 0.244 137 S C 1.669 176.238 174.600 -0.052 0.000 0.982 137 S CA 0.850 58.983 58.200 -0.111 0.000 0.953 137 S CB -0.638 62.540 63.200 -0.036 0.000 0.754 137 S HN 0.426 8.736 8.310 0.000 0.000 0.529 138 G N 0.450 109.225 108.800 -0.043 0.000 3.371 138 G HA2 0.411 4.371 3.960 0.001 0.000 0.248 138 G HA3 0.411 4.371 3.960 0.001 0.000 0.248 138 G C 0.018 174.899 174.900 -0.032 0.000 1.161 138 G CA -0.474 44.613 45.100 -0.021 0.000 0.796 138 G HN 0.501 8.791 8.290 0.000 0.000 0.539 139 L N 1.885 123.084 121.223 -0.040 0.000 2.264 139 L HA 0.322 4.662 4.340 0.001 0.000 0.287 139 L C -2.134 174.747 176.870 0.018 0.000 1.039 139 L CA -1.688 53.142 54.840 -0.018 0.000 0.829 139 L CB 1.839 43.887 42.059 -0.018 0.000 1.211 139 L HN -0.043 8.187 8.230 0.000 0.000 0.427 140 P HA 0.186 4.606 4.420 0.000 0.000 0.271 140 P C -2.081 175.315 177.300 0.160 0.000 1.218 140 P CA -1.082 62.084 63.100 0.109 0.000 0.780 140 P CB 0.393 32.196 31.700 0.172 0.000 0.901 141 P HA -0.166 4.254 4.420 0.000 0.000 0.218 141 P C 1.409 178.758 177.300 0.082 0.000 1.149 141 P CA 1.321 64.474 63.100 0.087 0.000 0.817 141 P CB -0.166 31.565 31.700 0.052 0.000 0.785 142 S N -1.582 114.170 115.700 0.086 0.000 2.400 142 S HA -0.194 4.277 4.470 0.001 0.000 0.232 142 S C 0.633 175.156 174.600 -0.129 0.000 1.025 142 S CA 1.061 59.241 58.200 -0.034 0.000 0.993 142 S CB -1.592 61.542 63.200 -0.109 0.000 0.808 142 S HN 0.296 8.606 8.310 0.000 0.000 0.478 143 H N 1.749 120.814 119.070 -0.008 0.000 2.872 143 H HA 0.436 4.993 4.556 0.001 0.000 0.273 143 H C 0.865 176.047 175.328 -0.243 0.000 1.205 143 H CA -0.404 55.609 56.048 -0.058 0.000 1.342 143 H CB 0.484 30.225 29.762 -0.035 0.000 1.469 143 H HN 0.250 8.530 8.280 0.000 0.000 0.487 144 Q N 1.719 121.403 119.800 -0.192 0.000 2.396 144 Q HA 0.010 4.350 4.340 0.001 0.000 0.209 144 Q C -0.301 175.148 176.000 -0.919 0.000 0.906 144 Q CA 0.277 55.786 55.803 -0.488 0.000 0.927 144 Q CB 0.471 29.026 28.738 -0.305 0.000 1.069 144 Q HN 0.613 8.883 8.270 0.000 0.000 0.523 145 W N 1.428 122.375 121.300 -0.589 0.000 2.316 145 W HA 0.345 5.005 4.660 0.001 0.000 0.308 145 W C -0.545 175.694 176.519 -0.465 0.000 1.106 145 W CA -0.561 56.534 57.345 -0.418 0.000 1.262 145 W CB 0.181 29.535 29.460 -0.176 0.000 1.233 145 W HN -0.085 8.095 8.180 0.000 0.000 0.447 146 Y N 1.124 121.487 120.300 0.105 0.000 2.549 146 Y HA 0.762 5.312 4.550 0.000 0.000 0.339 146 Y C 0.427 176.324 175.900 -0.005 0.000 1.053 146 Y CA -1.414 56.698 58.100 0.020 0.000 1.105 146 Y CB 1.793 40.216 38.460 -0.063 0.000 1.258 146 Y HN 0.028 8.308 8.280 0.000 0.000 0.478 147 T N 1.783 116.402 114.554 0.110 0.000 2.881 147 T HA 0.592 4.942 4.350 0.001 0.000 0.290 147 T C -1.368 173.300 174.700 -0.054 0.000 1.000 147 T CA -0.654 61.448 62.100 0.003 0.000 0.978 147 T CB 1.428 70.268 68.868 -0.047 0.000 0.997 147 T HN 0.382 8.622 8.240 0.000 0.000 0.443 148 V N 4.893 124.781 119.914 -0.044 0.000 2.487 148 V HA 0.596 4.717 4.120 0.001 0.000 0.298 148 V C -0.698 175.403 176.094 0.012 0.000 1.028 148 V CA -0.730 61.546 62.300 -0.041 0.000 0.860 148 V CB 1.557 33.386 31.823 0.010 0.000 0.991 148 V HN 0.695 8.885 8.190 0.000 0.000 0.427 149 L N 3.661 124.891 121.223 0.012 0.000 2.381 149 L HA 0.682 5.022 4.340 0.001 0.000 0.268 149 L C -1.260 175.636 176.870 0.044 0.000 0.997 149 L CA -0.644 54.217 54.840 0.034 0.000 0.818 149 L CB 2.492 44.529 42.059 -0.037 0.000 1.310 149 L HN 0.496 8.726 8.230 0.000 0.000 0.416 150 D N 2.497 122.928 120.400 0.052 0.000 2.408 150 D HA 0.463 5.103 4.640 0.001 0.000 0.243 150 D C -0.591 175.706 176.300 -0.005 0.000 1.075 150 D CA -0.213 53.798 54.000 0.019 0.000 0.832 150 D CB 1.931 42.739 40.800 0.014 0.000 1.162 150 D HN 0.226 8.596 8.370 0.000 0.000 0.515 151 L N 2.504 123.696 121.223 -0.052 0.000 2.361 151 L HA 0.261 4.602 4.340 0.001 0.000 0.278 151 L C 0.580 177.384 176.870 -0.109 0.000 1.113 151 L CA -0.470 54.335 54.840 -0.059 0.000 0.849 151 L CB 0.434 42.458 42.059 -0.059 0.000 1.155 151 L HN 0.097 8.327 8.230 0.000 0.000 0.452 152 K N 3.249 123.621 120.400 -0.047 0.000 2.249 152 K HA 0.075 4.396 4.320 0.001 0.000 0.280 152 K C -0.161 176.376 176.600 -0.105 0.000 1.033 152 K CA -0.057 56.188 56.287 -0.069 0.000 0.946 152 K CB 0.401 32.906 32.500 0.008 0.000 1.005 152 K HN 0.490 8.740 8.250 0.000 0.000 0.469 153 D N 2.977 123.254 120.400 -0.205 0.000 2.735 153 D HA -0.236 4.404 4.640 0.001 0.000 0.235 153 D C 0.502 176.640 176.300 -0.270 0.000 1.175 153 D CA 0.962 54.799 54.000 -0.272 0.000 0.683 153 D CB -1.107 39.685 40.800 -0.014 0.000 1.008 153 D HN 0.619 8.989 8.370 0.000 0.000 0.416 154 A N 0.073 122.595 122.820 -0.497 0.000 1.851 154 A HA -0.198 4.123 4.320 0.001 0.000 0.216 154 A C 1.893 179.279 177.584 -0.331 0.000 1.195 154 A CA 1.328 52.995 52.037 -0.617 0.000 0.622 154 A CB -0.497 17.694 19.000 -1.348 0.000 0.831 154 A HN 0.283 8.433 8.150 0.000 0.000 0.444 155 F N -0.651 119.019 119.950 -0.467 0.000 2.120 155 F HA -0.147 4.380 4.527 0.000 0.000 0.300 155 F C 2.025 177.881 175.800 0.093 0.000 1.095 155 F CA 0.427 58.321 58.000 -0.176 0.000 1.249 155 F CB -1.501 37.331 39.000 -0.281 0.000 0.995 155 F HN 0.208 8.508 8.300 0.000 0.000 0.480 156 F N -0.662 119.370 119.950 0.137 0.000 2.494 156 F HA -0.134 4.394 4.527 0.001 0.000 0.298 156 F C 2.383 178.253 175.800 0.117 0.000 1.106 156 F CA -0.107 57.962 58.000 0.115 0.000 1.452 156 F CB -1.808 37.244 39.000 0.087 0.000 1.085 156 F HN 0.022 8.322 8.300 0.000 0.000 0.569 157 C N -0.217 119.275 119.300 0.320 0.000 2.481 157 C HA 0.084 4.545 4.460 0.001 0.000 0.275 157 C C 1.376 176.483 174.990 0.195 0.000 1.419 157 C CA -0.212 58.937 59.018 0.218 0.000 1.773 157 C CB -1.319 26.567 27.740 0.242 0.000 1.862 157 C HN 0.024 8.254 8.230 0.000 0.000 0.530 158 L N 1.635 123.026 121.223 0.281 0.000 2.275 158 L HA 0.348 4.689 4.340 0.001 0.000 0.288 158 L C 0.263 177.229 176.870 0.159 0.000 1.046 158 L CA -0.164 54.806 54.840 0.216 0.000 0.805 158 L CB 0.603 42.823 42.059 0.268 0.000 1.193 158 L HN 0.229 8.459 8.230 0.000 0.000 0.426 159 R N 3.110 123.675 120.500 0.107 0.000 2.539 159 R HA 0.481 4.821 4.340 0.001 0.000 0.275 159 R C -0.716 175.640 176.300 0.092 0.000 1.077 159 R CA -0.486 55.665 56.100 0.085 0.000 1.097 159 R CB 0.887 31.217 30.300 0.050 0.000 1.018 159 R HN 0.490 8.760 8.270 0.000 0.000 0.483 160 L N 2.243 123.519 121.223 0.089 0.000 2.295 160 L HA 0.254 4.594 4.340 0.001 0.000 0.285 160 L C 0.159 177.094 176.870 0.109 0.000 1.035 160 L CA -0.752 54.153 54.840 0.108 0.000 0.806 160 L CB 1.282 43.411 42.059 0.117 0.000 1.214 160 L HN 0.627 8.857 8.230 0.000 0.000 0.426 161 H N 5.264 124.364 119.070 0.051 0.000 2.897 161 H HA 0.022 4.578 4.556 0.001 0.000 0.347 161 H C -1.780 173.568 175.328 0.035 0.000 1.068 161 H CA -0.546 55.524 56.048 0.037 0.000 1.426 161 H CB 1.146 30.927 29.762 0.032 0.000 1.410 161 H HN 0.323 8.603 8.280 0.000 0.000 0.597 162 P HA -0.172 4.248 4.420 0.000 0.000 0.218 162 P C 1.246 178.626 177.300 0.133 0.000 1.146 162 P CA 1.557 64.641 63.100 -0.026 0.000 0.813 162 P CB 0.165 31.787 31.700 -0.129 0.000 0.778 163 T N -2.405 112.381 114.554 0.386 0.000 3.023 163 T HA -0.006 4.345 4.350 0.001 0.000 0.266 163 T C 1.612 176.367 174.700 0.093 0.000 1.093 163 T CA 1.372 63.605 62.100 0.221 0.000 1.129 163 T CB -0.423 68.547 68.868 0.170 0.000 0.899 163 T HN 0.011 8.251 8.240 0.000 0.000 0.491 164 S N 0.426 116.190 115.700 0.108 0.000 2.502 164 S HA 0.143 4.613 4.470 0.001 0.000 0.215 164 S C 1.873 176.475 174.600 0.004 0.000 1.009 164 S CA -0.177 58.025 58.200 0.003 0.000 0.908 164 S CB 0.035 63.267 63.200 0.054 0.000 0.801 164 S HN 0.538 8.848 8.310 0.000 0.000 0.505 165 Q N 1.298 121.151 119.800 0.089 0.000 2.112 165 Q HA -0.108 4.232 4.340 0.001 0.000 0.206 165 Q C -0.874 175.173 176.000 0.078 0.000 0.987 165 Q CA 1.628 57.516 55.803 0.141 0.000 0.858 165 Q CB -1.283 27.515 28.738 0.099 0.000 0.905 165 Q HN 0.422 8.692 8.270 0.000 0.000 0.420 166 P HA -0.162 4.258 4.420 0.000 0.000 0.221 166 P C 1.002 178.185 177.300 -0.196 0.000 1.145 166 P CA 0.826 63.913 63.100 -0.022 0.000 0.795 166 P CB 0.034 31.761 31.700 0.045 0.000 0.775 167 L N -1.816 119.041 121.223 -0.609 0.000 2.127 167 L HA -0.099 4.241 4.340 0.001 0.000 0.211 167 L C 1.324 177.632 176.870 -0.936 0.000 1.089 167 L CA 1.830 55.859 54.840 -1.351 0.000 0.757 167 L CB -0.989 40.036 42.059 -1.724 0.000 0.899 167 L HN -0.083 8.147 8.230 0.000 0.000 0.434 168 F N -0.638 119.244 119.950 -0.113 0.000 2.730 168 F HA 0.446 4.973 4.527 0.000 0.000 0.295 168 F C 1.083 177.088 175.800 0.340 0.000 1.143 168 F CA -0.385 57.695 58.000 0.133 0.000 1.367 168 F CB -1.087 38.035 39.000 0.204 0.000 0.970 168 F HN -0.078 8.222 8.300 0.000 0.000 0.514 169 A N 1.100 124.100 122.820 0.299 0.000 2.425 169 A HA 0.552 4.873 4.320 0.001 0.000 0.242 169 A C -0.405 177.380 177.584 0.334 0.000 1.077 169 A CA 0.028 52.189 52.037 0.207 0.000 0.781 169 A CB -0.048 19.011 19.000 0.099 0.000 1.020 169 A HN 0.386 8.536 8.150 0.000 0.000 0.494 170 F N -1.277 118.746 119.950 0.123 0.000 2.685 170 F HA 0.760 5.288 4.527 0.001 0.000 0.315 170 F C -0.582 175.283 175.800 0.107 0.000 1.126 170 F CA -1.222 56.853 58.000 0.125 0.000 0.950 170 F CB 1.143 40.242 39.000 0.165 0.000 1.360 170 F HN 0.523 8.823 8.300 0.000 0.000 0.469 171 E N 1.487 121.877 120.200 0.317 0.000 2.266 171 E HA 0.315 4.665 4.350 0.001 0.000 0.277 171 E C -1.784 175.042 176.600 0.376 0.000 1.018 171 E CA -0.456 56.059 56.400 0.192 0.000 0.840 171 E CB 1.146 30.921 29.700 0.124 0.000 1.082 171 E HN 0.658 9.018 8.360 0.000 0.000 0.395 172 W N 4.402 125.709 121.300 0.012 0.000 3.256 172 W HA 0.553 5.214 4.660 0.000 0.000 0.324 172 W C -1.279 175.243 176.519 0.004 0.000 1.196 172 W CA -0.543 56.831 57.345 0.049 0.000 1.206 172 W CB 1.782 31.269 29.460 0.044 0.000 1.385 172 W HN 0.573 8.753 8.180 0.000 0.000 0.522 173 R N 2.211 122.058 120.500 -1.089 0.000 2.752 173 R HA 0.296 4.636 4.340 0.001 0.000 0.271 173 R C -1.577 174.249 176.300 -0.791 0.000 1.026 173 R CA -0.603 55.082 56.100 -0.691 0.000 0.901 173 R CB 1.796 31.880 30.300 -0.361 0.000 1.243 173 R HN 0.323 8.593 8.270 0.000 0.000 0.463 174 D N 1.180 121.372 120.400 -0.345 0.000 2.358 174 D HA 0.258 4.899 4.640 0.001 0.000 0.253 174 D C -2.087 174.136 176.300 -0.129 0.000 1.288 174 D CA -1.818 52.065 54.000 -0.195 0.000 0.950 174 D CB 1.807 42.587 40.800 -0.035 0.000 1.197 174 D HN 0.116 8.486 8.370 0.000 0.000 0.550 175 P HA -0.161 4.259 4.420 0.000 0.000 0.221 175 P C -0.635 176.631 177.300 -0.056 0.000 1.142 175 P CA 1.255 64.301 63.100 -0.090 0.000 0.804 175 P CB 0.243 31.894 31.700 -0.081 0.000 0.756 176 E N -0.778 119.396 120.200 -0.044 0.000 2.761 176 E HA 0.314 4.665 4.350 0.001 0.000 0.266 176 E C -0.469 176.122 176.600 -0.015 0.000 1.097 176 E CA -0.630 55.756 56.400 -0.024 0.000 0.773 176 E CB 0.550 30.241 29.700 -0.015 0.000 1.453 176 E HN -0.132 8.228 8.360 0.000 0.000 0.388 177 M N 1.136 120.726 119.600 -0.017 0.000 4.198 177 M HA -0.179 4.301 4.480 0.001 0.000 0.157 177 M C -0.676 175.625 176.300 0.002 0.000 1.509 177 M CA 1.754 57.050 55.300 -0.006 0.000 1.105 177 M CB -1.062 31.540 32.600 0.004 0.000 1.326 177 M HN 0.768 9.057 8.290 0.000 0.000 0.190 178 G N 4.259 113.066 108.800 0.011 0.000 2.404 178 G HA2 0.410 4.371 3.960 0.001 0.000 0.253 178 G HA3 0.410 4.371 3.960 0.001 0.000 0.253 178 G C -1.238 173.688 174.900 0.043 0.000 1.253 178 G CA -0.401 44.724 45.100 0.041 0.000 0.917 178 G HN 1.002 9.292 8.290 0.000 0.000 0.480 179 I N 1.570 122.189 120.570 0.082 0.000 2.472 179 I HA 0.285 4.455 4.170 0.001 0.000 0.290 179 I C 1.975 178.104 176.117 0.020 0.000 1.016 179 I CA 0.242 61.582 61.300 0.066 0.000 1.348 179 I CB 1.716 39.798 38.000 0.135 0.000 1.417 179 I HN 0.626 8.836 8.210 0.000 0.000 0.521 180 S N 4.240 119.940 115.700 -0.000 0.000 2.414 180 S HA -0.205 4.266 4.470 0.001 0.000 0.238 180 S C 1.273 175.860 174.600 -0.021 0.000 1.055 180 S CA 2.378 60.568 58.200 -0.015 0.000 1.174 180 S CB -0.181 63.007 63.200 -0.020 0.000 1.087 180 S HN 1.015 9.325 8.310 0.000 0.000 0.428 181 G N -0.326 108.461 108.800 -0.021 0.000 4.105 181 G HA2 0.252 4.213 3.960 0.001 0.000 0.172 181 G HA3 0.252 4.213 3.960 0.001 0.000 0.172 181 G C -0.548 174.335 174.900 -0.029 0.000 1.315 181 G CA -0.340 44.746 45.100 -0.023 0.000 0.994 181 G HN 0.503 8.793 8.290 0.000 0.000 0.441 182 Q N 0.338 120.098 119.800 -0.066 0.000 2.214 182 Q HA 0.759 5.099 4.340 0.001 0.000 0.251 182 Q C -0.972 174.871 176.000 -0.261 0.000 0.936 182 Q CA -0.230 55.484 55.803 -0.148 0.000 0.894 182 Q CB 2.435 31.113 28.738 -0.100 0.000 1.252 182 Q HN 0.278 8.548 8.270 0.000 0.000 0.448 183 L N 0.077 120.968 121.223 -0.553 0.000 2.327 183 L HA 0.751 5.091 4.340 0.001 0.000 0.258 183 L C -0.263 176.163 176.870 -0.739 0.000 1.024 183 L CA -0.692 53.752 54.840 -0.661 0.000 0.825 183 L CB 2.515 44.045 42.059 -0.881 0.000 1.386 183 L HN 0.592 8.822 8.230 0.000 0.000 0.417 184 T N -1.054 113.196 114.554 -0.507 0.000 2.787 184 T HA 0.528 4.878 4.350 0.001 0.000 0.297 184 T C -2.008 172.484 174.700 -0.347 0.000 1.221 184 T CA -0.419 61.501 62.100 -0.301 0.000 1.006 184 T CB 1.026 69.877 68.868 -0.028 0.000 1.328 184 T HN 0.376 8.616 8.240 0.000 0.000 0.509 185 W N 1.162 122.513 121.300 0.086 0.000 2.381 185 W HA 0.458 5.118 4.660 0.001 0.000 0.329 185 W C 1.501 178.013 176.519 -0.011 0.000 1.157 185 W CA -0.281 57.072 57.345 0.014 0.000 1.240 185 W CB 0.809 30.265 29.460 -0.006 0.000 1.199 185 W HN 0.755 8.935 8.180 0.000 0.000 0.579 186 T N -1.623 113.023 114.554 0.154 0.000 3.044 186 T HA 0.344 4.694 4.350 0.001 0.000 0.260 186 T C 0.470 175.231 174.700 0.102 0.000 1.019 186 T CA -0.285 61.865 62.100 0.084 0.000 0.921 186 T CB 0.073 68.947 68.868 0.011 0.000 1.053 186 T HN 0.193 8.433 8.240 0.000 0.000 0.533 187 R N 0.357 120.951 120.500 0.157 0.000 2.888 187 R HA 0.534 4.874 4.340 0.001 0.000 0.266 187 R C -1.050 175.330 176.300 0.132 0.000 1.020 187 R CA -1.415 54.783 56.100 0.164 0.000 0.963 187 R CB 0.873 31.298 30.300 0.208 0.000 1.197 187 R HN 0.178 8.448 8.270 0.000 0.000 0.481 188 L N 5.039 126.331 121.223 0.115 0.000 2.615 188 L HA 0.102 4.443 4.340 0.001 0.000 0.271 188 L C -2.001 174.820 176.870 -0.083 0.000 1.183 188 L CA -0.452 54.364 54.840 -0.041 0.000 0.933 188 L CB 0.030 42.106 42.059 0.028 0.000 1.199 188 L HN 0.379 8.609 8.230 0.000 0.000 0.487 189 P HA 0.150 4.570 4.420 0.000 0.000 0.281 189 P C -1.244 175.830 177.300 -0.377 0.000 1.264 189 P CA -0.714 62.019 63.100 -0.612 0.000 0.824 189 P CB 0.831 31.760 31.700 -1.285 0.000 1.092 190 Q N -0.138 119.457 119.800 -0.341 0.000 2.340 190 Q HA 0.335 4.676 4.340 0.001 0.000 0.249 190 Q C 1.396 177.313 176.000 -0.140 0.000 0.957 190 Q CA 0.804 56.535 55.803 -0.120 0.000 0.882 190 Q CB 0.146 28.779 28.738 -0.175 0.000 1.235 190 Q HN 0.938 9.208 8.270 0.000 0.000 0.439 191 G N 1.455 110.234 108.800 -0.035 0.000 2.225 191 G HA2 -0.300 3.660 3.960 0.001 0.000 0.254 191 G HA3 -0.300 3.660 3.960 0.001 0.000 0.254 191 G C -0.258 174.687 174.900 0.074 0.000 0.988 191 G CA 0.109 45.212 45.100 0.004 0.000 0.625 191 G HN 0.508 8.798 8.290 0.000 0.000 0.527 192 F N 3.242 123.090 119.950 -0.170 0.000 2.438 192 F HA 0.507 5.034 4.527 0.001 0.000 0.356 192 F C 1.809 177.533 175.800 -0.127 0.000 1.099 192 F CA -1.023 56.903 58.000 -0.123 0.000 1.185 192 F CB 0.922 39.758 39.000 -0.275 0.000 1.115 192 F HN 0.266 8.566 8.300 0.000 0.000 0.526 193 K N 2.715 122.908 120.400 -0.346 0.000 2.160 193 K HA -0.221 4.099 4.320 0.001 0.000 0.206 193 K C 0.506 176.705 176.600 -0.668 0.000 1.047 193 K CA 2.026 58.059 56.287 -0.423 0.000 0.930 193 K CB -0.235 32.125 32.500 -0.233 0.000 0.720 193 K HN 0.481 8.731 8.250 0.000 0.000 0.450 194 N N 0.334 118.238 118.700 -1.326 0.000 2.280 194 N HA 0.074 4.814 4.740 0.001 0.000 0.192 194 N C 0.900 176.004 175.510 -0.678 0.000 1.109 194 N CA 0.327 52.837 53.050 -0.901 0.000 0.855 194 N CB 0.539 38.553 38.487 -0.788 0.000 0.974 194 N HN 0.194 8.574 8.380 0.000 0.000 0.482 195 S N 1.608 116.845 115.700 -0.772 0.000 2.359 195 S HA -0.073 4.397 4.470 0.001 0.000 0.224 195 S C -0.672 173.497 174.600 -0.718 0.000 1.035 195 S CA 1.215 58.926 58.200 -0.816 0.000 1.018 195 S CB -0.941 61.438 63.200 -1.367 0.000 0.876 195 S HN 0.323 8.633 8.310 0.000 0.000 0.448 196 P HA -0.052 4.368 4.420 0.000 0.000 0.215 196 P C 1.501 178.781 177.300 -0.033 0.000 1.157 196 P CA 1.363 64.433 63.100 -0.050 0.000 0.868 196 P CB -0.296 31.376 31.700 -0.048 0.000 0.788 197 T N -0.161 114.321 114.554 -0.121 0.000 2.708 197 T HA -0.100 4.250 4.350 0.001 0.000 0.266 197 T C 1.769 176.443 174.700 -0.043 0.000 1.037 197 T CA 1.168 63.218 62.100 -0.083 0.000 1.146 197 T CB -0.997 67.800 68.868 -0.118 0.000 0.865 197 T HN 0.038 8.278 8.240 0.000 0.000 0.435 198 L N -0.220 120.963 121.223 -0.066 0.000 2.083 198 L HA -0.014 4.327 4.340 0.001 0.000 0.209 198 L C 2.279 179.160 176.870 0.020 0.000 1.083 198 L CA 1.222 56.051 54.840 -0.018 0.000 0.752 198 L CB -0.564 41.490 42.059 -0.008 0.000 0.899 198 L HN 0.193 8.423 8.230 0.000 0.000 0.433 199 F N 1.316 121.244 119.950 -0.036 0.000 2.113 199 F HA -0.253 4.274 4.527 0.000 0.000 0.297 199 F C 2.188 178.001 175.800 0.022 0.000 1.103 199 F CA 1.984 60.019 58.000 0.058 0.000 1.248 199 F CB -0.255 38.864 39.000 0.198 0.000 0.999 199 F HN 0.097 8.397 8.300 0.000 0.000 0.475 200 D N -0.115 120.289 120.400 0.006 0.000 2.123 200 D HA -0.211 4.429 4.640 0.001 0.000 0.196 200 D C 2.042 178.314 176.300 -0.046 0.000 0.992 200 D CA 1.884 55.851 54.000 -0.056 0.000 0.833 200 D CB -0.107 40.718 40.800 0.041 0.000 0.954 200 D HN 0.509 8.879 8.370 0.000 0.000 0.455 201 E N -0.238 119.959 120.200 -0.006 0.000 2.106 201 E HA -0.101 4.249 4.350 0.001 0.000 0.192 201 E C 2.132 178.715 176.600 -0.028 0.000 0.984 201 E CA 0.780 57.199 56.400 0.032 0.000 0.806 201 E CB -0.115 29.593 29.700 0.013 0.000 0.750 201 E HN 0.338 8.698 8.360 0.000 0.000 0.458 202 A N 1.377 124.121 122.820 -0.127 0.000 1.873 202 A HA -0.155 4.166 4.320 0.001 0.000 0.215 202 A C 2.170 179.642 177.584 -0.187 0.000 1.186 202 A CA 0.973 52.935 52.037 -0.126 0.000 0.616 202 A CB -0.489 18.438 19.000 -0.123 0.000 0.823 202 A HN 0.211 8.361 8.150 0.000 0.000 0.442 203 L N -1.015 119.930 121.223 -0.463 0.000 2.141 203 L HA -0.128 4.212 4.340 0.001 0.000 0.209 203 L C 2.280 178.965 176.870 -0.308 0.000 1.094 203 L CA 1.897 56.410 54.840 -0.546 0.000 0.763 203 L CB -0.717 40.810 42.059 -0.887 0.000 0.908 203 L HN 0.491 8.721 8.230 0.000 0.000 0.437 204 H N -0.145 118.809 119.070 -0.192 0.000 2.387 204 H HA -0.045 4.511 4.556 0.000 0.000 0.299 204 H C 2.340 177.634 175.328 -0.056 0.000 1.090 204 H CA 1.563 57.553 56.048 -0.098 0.000 1.332 204 H CB 0.185 29.906 29.762 -0.068 0.000 1.386 204 H HN 0.387 8.667 8.280 0.000 0.000 0.516 205 R N 0.202 120.743 120.500 0.068 0.000 2.075 205 R HA -0.087 4.253 4.340 0.001 0.000 0.232 205 R C 1.700 178.027 176.300 0.046 0.000 1.126 205 R CA 1.177 57.307 56.100 0.050 0.000 0.963 205 R CB 0.049 30.369 30.300 0.034 0.000 0.858 205 R HN 0.244 8.514 8.270 0.000 0.000 0.435 206 D N 0.551 120.969 120.400 0.030 0.000 2.219 206 D HA -0.056 4.584 4.640 0.001 0.000 0.205 206 D C 1.502 177.828 176.300 0.044 0.000 0.970 206 D CA 0.969 55.005 54.000 0.060 0.000 0.851 206 D CB 0.206 41.093 40.800 0.144 0.000 0.943 206 D HN 0.187 8.557 8.370 0.000 0.000 0.488 207 L N -0.064 121.163 121.223 0.006 0.000 2.640 207 L HA 0.283 4.623 4.340 0.001 0.000 0.230 207 L C 2.092 179.047 176.870 0.142 0.000 1.123 207 L CA -0.135 54.727 54.840 0.036 0.000 0.900 207 L CB 0.157 42.161 42.059 -0.093 0.000 1.146 207 L HN -0.105 8.125 8.230 0.000 0.000 0.484 208 A N 0.749 123.639 122.820 0.116 0.000 1.883 208 A HA -0.298 4.022 4.320 0.001 0.000 0.217 208 A C 1.937 179.592 177.584 0.119 0.000 1.186 208 A CA 2.353 54.460 52.037 0.116 0.000 0.624 208 A CB -0.473 18.574 19.000 0.079 0.000 0.822 208 A HN 0.439 8.589 8.150 0.000 0.000 0.444 209 D N -1.594 118.875 120.400 0.116 0.000 2.117 209 D HA -0.187 4.454 4.640 0.001 0.000 0.197 209 D C 1.665 178.040 176.300 0.125 0.000 0.987 209 D CA 1.528 55.585 54.000 0.095 0.000 0.829 209 D CB -0.258 40.594 40.800 0.087 0.000 0.961 209 D HN 0.395 8.765 8.370 0.000 0.000 0.460 210 F N 1.158 121.143 119.950 0.060 0.000 2.126 210 F HA -0.093 4.434 4.527 0.000 0.000 0.299 210 F C 2.217 178.120 175.800 0.171 0.000 1.096 210 F CA 1.444 59.525 58.000 0.135 0.000 1.255 210 F CB -0.144 38.919 39.000 0.106 0.000 0.997 210 F HN -0.150 8.150 8.300 0.000 0.000 0.479 211 R N 0.309 120.970 120.500 0.268 0.000 2.096 211 R HA -0.130 4.210 4.340 0.001 0.000 0.235 211 R C 2.312 178.612 176.300 0.000 0.000 1.127 211 R CA 1.930 58.116 56.100 0.142 0.000 0.968 211 R CB -0.519 29.881 30.300 0.166 0.000 0.861 211 R HN 0.389 8.659 8.270 0.000 0.000 0.440 212 I N 0.298 120.862 120.570 -0.009 0.000 2.315 212 I HA -0.220 3.951 4.170 0.001 0.000 0.248 212 I C 1.775 177.805 176.117 -0.145 0.000 1.117 212 I CA 1.081 62.349 61.300 -0.052 0.000 1.404 212 I CB -0.049 37.934 38.000 -0.028 0.000 1.071 212 I HN 0.084 8.294 8.210 0.000 0.000 0.419 213 Q N -0.171 119.476 119.800 -0.256 0.000 2.444 213 Q HA 0.017 4.358 4.340 0.001 0.000 0.206 213 Q C -0.189 175.289 176.000 -0.869 0.000 0.948 213 Q CA 0.805 56.311 55.803 -0.494 0.000 0.946 213 Q CB 0.060 28.483 28.738 -0.524 0.000 1.027 213 Q HN 0.455 8.725 8.270 0.000 0.000 0.513 214 H N -1.980 116.911 119.070 -0.298 0.000 2.597 214 H HA 0.204 4.760 4.556 0.000 0.000 0.225 214 H C -2.035 173.201 175.328 -0.153 0.000 1.422 214 H CA -1.580 54.298 56.048 -0.282 0.000 1.335 214 H CB 1.116 30.564 29.762 -0.524 0.000 1.783 214 H HN 0.058 8.338 8.280 0.000 0.000 0.513 215 P HA -0.158 4.262 4.420 0.000 0.000 0.217 215 P C 1.003 178.321 177.300 0.030 0.000 1.148 215 P CA 1.312 64.407 63.100 -0.008 0.000 0.828 215 P CB 0.582 32.269 31.700 -0.022 0.000 0.783 216 D N -0.815 119.613 120.400 0.048 0.000 2.103 216 D HA -0.031 4.610 4.640 0.001 0.000 0.199 216 D C 1.030 177.413 176.300 0.137 0.000 0.978 216 D CA 0.516 54.574 54.000 0.097 0.000 0.829 216 D CB -0.865 39.984 40.800 0.082 0.000 0.981 216 D HN 0.148 8.518 8.370 0.000 0.000 0.464 217 L N 1.051 122.332 121.223 0.096 0.000 2.499 217 L HA -0.004 4.336 4.340 0.001 0.000 0.281 217 L C 0.330 177.203 176.870 0.004 0.000 1.234 217 L CA 0.161 55.046 54.840 0.075 0.000 0.839 217 L CB 0.552 42.642 42.059 0.052 0.000 1.104 217 L HN -0.023 8.207 8.230 0.000 0.000 0.500 218 I N 3.724 124.256 120.570 -0.063 0.000 2.382 218 I HA 0.250 4.421 4.170 0.001 0.000 0.286 218 I C -0.497 175.609 176.117 -0.019 0.000 1.002 218 I CA -0.424 60.809 61.300 -0.111 0.000 1.135 218 I CB 1.513 39.336 38.000 -0.295 0.000 1.288 218 I HN 0.288 8.498 8.210 0.000 0.000 0.448 219 L N 8.449 129.690 121.223 0.030 0.000 2.316 219 L HA 0.549 4.889 4.340 0.001 0.000 0.280 219 L C -1.249 175.635 176.870 0.024 0.000 1.006 219 L CA -0.404 54.457 54.840 0.035 0.000 0.836 219 L CB 1.220 43.343 42.059 0.107 0.000 1.221 219 L HN 0.292 8.522 8.230 0.000 0.000 0.418 220 L N 4.910 126.126 121.223 -0.012 0.000 2.295 220 L HA 0.569 4.910 4.340 0.001 0.000 0.285 220 L C -0.220 176.702 176.870 0.087 0.000 1.035 220 L CA 0.110 54.981 54.840 0.051 0.000 0.806 220 L CB 1.699 43.786 42.059 0.048 0.000 1.214 220 L HN 0.629 8.859 8.230 0.000 0.000 0.426 221 Q N 3.167 123.038 119.800 0.118 0.000 2.340 221 Q HA 0.381 4.722 4.340 0.001 0.000 0.268 221 Q C -1.592 174.529 176.000 0.202 0.000 1.031 221 Q CA -0.620 55.227 55.803 0.072 0.000 0.804 221 Q CB 2.652 31.257 28.738 -0.221 0.000 1.286 221 Q HN 0.470 8.740 8.270 0.000 0.000 0.448 222 Y N 3.908 124.258 120.300 0.082 0.000 2.705 222 Y HA 0.287 4.837 4.550 0.001 0.000 0.355 222 Y C 0.164 176.093 175.900 0.048 0.000 1.039 222 Y CA -0.412 57.719 58.100 0.051 0.000 1.233 222 Y CB -0.133 38.314 38.460 -0.021 0.000 1.103 222 Y HN 0.695 8.975 8.280 0.000 0.000 0.624 223 V N 0.983 120.798 119.914 -0.166 0.000 0.683 223 V HA -0.507 3.614 4.120 0.001 0.000 0.092 223 V C 1.172 177.363 176.094 0.163 0.000 0.907 223 V CA 2.180 64.481 62.300 0.001 0.000 3.123 223 V CB -1.117 30.589 31.823 -0.195 0.000 0.264 223 V HN 0.762 8.952 8.190 0.000 0.000 0.215 224 D N 0.809 121.182 120.400 -0.045 0.000 2.368 224 D HA 0.162 4.802 4.640 0.001 0.000 0.218 224 D C -0.073 176.218 176.300 -0.014 0.000 1.112 224 D CA 0.319 54.262 54.000 -0.095 0.000 0.834 224 D CB -0.154 40.409 40.800 -0.395 0.000 0.953 224 D HN 0.702 9.072 8.370 0.000 0.000 0.505 225 D N 1.168 121.616 120.400 0.080 0.000 2.349 225 D HA 0.293 4.933 4.640 0.001 0.000 0.232 225 D C -0.051 176.430 176.300 0.302 0.000 1.071 225 D CA -0.346 53.761 54.000 0.179 0.000 0.832 225 D CB 2.068 42.963 40.800 0.160 0.000 1.086 225 D HN 0.144 8.514 8.370 0.000 0.000 0.504 226 L N 2.173 123.512 121.223 0.193 0.000 2.322 226 L HA 0.504 4.845 4.340 0.001 0.000 0.281 226 L C -0.509 176.287 176.870 -0.123 0.000 1.014 226 L CA -1.109 53.764 54.840 0.055 0.000 0.815 226 L CB 1.768 43.785 42.059 -0.071 0.000 1.247 226 L HN 0.095 8.325 8.230 0.000 0.000 0.421 227 L N 4.392 125.414 121.223 -0.335 0.000 2.343 227 L HA 0.554 4.894 4.340 0.001 0.000 0.278 227 L C -1.187 175.541 176.870 -0.236 0.000 0.996 227 L CA -0.365 54.145 54.840 -0.551 0.000 0.831 227 L CB 1.603 42.929 42.059 -1.222 0.000 1.232 227 L HN 0.464 8.694 8.230 0.000 0.000 0.413 228 L N 5.231 126.378 121.223 -0.127 0.000 2.282 228 L HA 0.905 5.245 4.340 0.001 0.000 0.288 228 L C -0.319 176.574 176.870 0.040 0.000 1.033 228 L CA -0.036 54.785 54.840 -0.032 0.000 0.807 228 L CB 1.350 43.396 42.059 -0.023 0.000 1.209 228 L HN 0.784 9.014 8.230 0.000 0.000 0.423 229 A N 4.046 126.896 122.820 0.049 0.000 2.356 229 A HA 1.015 5.335 4.320 0.001 0.000 0.323 229 A C -0.895 176.773 177.584 0.140 0.000 1.119 229 A CA 0.069 52.157 52.037 0.087 0.000 0.790 229 A CB 1.471 20.509 19.000 0.063 0.000 1.273 229 A HN 1.159 9.309 8.150 0.000 0.000 0.452 230 A N 0.281 123.220 122.820 0.199 0.000 2.609 230 A HA 0.678 4.998 4.320 0.001 0.000 0.291 230 A C 0.461 178.126 177.584 0.134 0.000 1.096 230 A CA 0.275 52.456 52.037 0.240 0.000 0.684 230 A CB 0.315 19.376 19.000 0.101 0.000 1.282 230 A HN 0.760 8.910 8.150 0.000 0.000 0.412 231 T N 0.898 115.426 114.554 -0.042 0.000 2.852 231 T HA 0.134 4.484 4.350 0.001 0.000 0.256 231 T C 1.030 175.703 174.700 -0.045 0.000 1.038 231 T CA 1.619 63.658 62.100 -0.102 0.000 1.141 231 T CB -0.250 68.489 68.868 -0.215 0.000 0.869 231 T HN 1.179 9.419 8.240 0.000 0.000 0.439 232 S N 0.645 116.183 115.700 -0.268 0.000 2.532 232 S HA 0.442 4.913 4.470 0.001 0.000 0.301 232 S C 0.643 174.659 174.600 -0.973 0.000 1.083 232 S CA -0.869 56.973 58.200 -0.596 0.000 1.025 232 S CB 2.478 65.480 63.200 -0.330 0.000 1.056 232 S HN 0.328 8.638 8.310 0.000 0.000 0.494 233 E N 0.094 119.275 120.200 -1.698 0.000 2.273 233 E HA -0.187 4.164 4.350 0.001 0.000 0.198 233 E C 1.496 177.791 176.600 -0.508 0.000 1.002 233 E CA 0.905 56.475 56.400 -1.383 0.000 0.828 233 E CB -0.123 28.676 29.700 -1.501 0.000 0.747 233 E HN 0.683 9.043 8.360 0.000 0.000 0.491 234 L N 1.042 122.028 121.223 -0.394 0.000 2.056 234 L HA -0.142 4.198 4.340 0.001 0.000 0.207 234 L C 1.446 178.254 176.870 -0.103 0.000 1.078 234 L CA 1.915 56.648 54.840 -0.178 0.000 0.749 234 L CB -0.275 41.696 42.059 -0.147 0.000 0.901 234 L HN 0.047 8.277 8.230 0.000 0.000 0.433 235 D N -1.063 119.255 120.400 -0.136 0.000 2.077 235 D HA -0.224 4.417 4.640 0.001 0.000 0.196 235 D C 2.326 178.620 176.300 -0.009 0.000 0.986 235 D CA 1.636 55.604 54.000 -0.054 0.000 0.829 235 D CB -1.019 39.748 40.800 -0.054 0.000 0.983 235 D HN 0.486 8.856 8.370 0.000 0.000 0.453 236 C N 1.146 120.426 119.300 -0.033 0.000 2.403 236 C HA -0.156 4.304 4.460 0.001 0.000 0.282 236 C C 2.525 177.574 174.990 0.099 0.000 1.297 236 C CA 1.630 60.677 59.018 0.048 0.000 1.785 236 C CB -1.084 26.721 27.740 0.108 0.000 1.963 236 C HN 0.357 8.587 8.230 0.000 0.000 0.507 237 Q N -0.593 119.279 119.800 0.120 0.000 2.084 237 Q HA -0.141 4.199 4.340 0.001 0.000 0.194 237 Q C 2.233 178.454 176.000 0.369 0.000 0.969 237 Q CA 1.087 57.092 55.803 0.337 0.000 0.829 237 Q CB -0.580 28.310 28.738 0.254 0.000 0.904 237 Q HN 0.725 8.995 8.270 0.000 0.000 0.464 238 Q N 0.088 119.995 119.800 0.179 0.000 2.124 238 Q HA -0.087 4.253 4.340 0.001 0.000 0.202 238 Q C 2.031 178.115 176.000 0.141 0.000 0.977 238 Q CA 1.246 57.138 55.803 0.148 0.000 0.850 238 Q CB -0.177 28.609 28.738 0.080 0.000 0.901 238 Q HN 0.627 8.897 8.270 0.000 0.000 0.429 239 G N -0.113 108.741 108.800 0.089 0.000 2.402 239 G HA2 -0.231 3.730 3.960 0.001 0.000 0.216 239 G HA3 -0.231 3.730 3.960 0.001 0.000 0.216 239 G C 1.374 176.326 174.900 0.086 0.000 1.162 239 G CA 1.216 46.319 45.100 0.005 0.000 0.777 239 G HN 0.253 8.543 8.290 0.000 0.000 0.539 240 T N 0.633 115.274 114.554 0.145 0.000 2.788 240 T HA -0.075 4.276 4.350 0.001 0.000 0.268 240 T C 2.494 177.314 174.700 0.200 0.000 1.044 240 T CA 0.991 63.161 62.100 0.116 0.000 1.139 240 T CB -0.124 68.750 68.868 0.009 0.000 0.867 240 T HN 0.251 8.491 8.240 0.000 0.000 0.454 241 R N 0.952 121.699 120.500 0.411 0.000 2.081 241 R HA 0.033 4.373 4.340 0.001 0.000 0.235 241 R C 2.787 179.014 176.300 -0.122 0.000 1.131 241 R CA 1.330 57.593 56.100 0.271 0.000 0.960 241 R CB -0.478 30.092 30.300 0.451 0.000 0.856 241 R HN 0.363 8.633 8.270 0.000 0.000 0.436 242 A N 1.240 124.097 122.820 0.062 0.000 1.969 242 A HA -0.126 4.195 4.320 0.001 0.000 0.218 242 A C 2.081 179.713 177.584 0.080 0.000 1.169 242 A CA 0.854 52.967 52.037 0.125 0.000 0.635 242 A CB -0.315 18.819 19.000 0.224 0.000 0.810 242 A HN 0.200 8.350 8.150 0.000 0.000 0.445 243 L N -0.215 120.979 121.223 -0.049 0.000 2.005 243 L HA -0.044 4.296 4.340 0.001 0.000 0.207 243 L C 2.291 178.910 176.870 -0.418 0.000 1.072 243 L CA 1.620 56.206 54.840 -0.424 0.000 0.744 243 L CB -0.613 41.176 42.059 -0.449 0.000 0.895 243 L HN 0.386 8.616 8.230 0.000 0.000 0.433 244 L N -0.735 120.209 121.223 -0.464 0.000 2.012 244 L HA -0.265 4.075 4.340 0.001 0.000 0.210 244 L C 2.688 179.202 176.870 -0.593 0.000 1.073 244 L CA 1.733 56.202 54.840 -0.618 0.000 0.748 244 L CB -0.697 40.897 42.059 -0.775 0.000 0.891 244 L HN 0.405 8.635 8.230 0.000 0.000 0.431 245 Q N -0.165 119.211 119.800 -0.706 0.000 2.061 245 Q HA -0.187 4.153 4.340 0.001 0.000 0.204 245 Q C 2.034 177.955 176.000 -0.131 0.000 0.984 245 Q CA 2.636 58.242 55.803 -0.328 0.000 0.846 245 Q CB -0.439 28.218 28.738 -0.136 0.000 0.902 245 Q HN 0.374 8.644 8.270 0.000 0.000 0.421 246 T N 1.069 115.552 114.554 -0.118 0.000 2.674 246 T HA -0.112 4.238 4.350 0.001 0.000 0.265 246 T C 1.750 176.411 174.700 -0.065 0.000 1.039 246 T CA 1.491 63.565 62.100 -0.044 0.000 1.150 246 T CB -0.372 68.478 68.868 -0.030 0.000 0.864 246 T HN 0.231 8.471 8.240 0.000 0.000 0.427 247 L N 0.622 121.754 121.223 -0.150 0.000 1.989 247 L HA -0.090 4.251 4.340 0.001 0.000 0.211 247 L C 3.061 179.932 176.870 0.000 0.000 1.071 247 L CA 1.636 56.439 54.840 -0.062 0.000 0.749 247 L CB -1.167 40.787 42.059 -0.174 0.000 0.890 247 L HN 0.389 8.619 8.230 0.000 0.000 0.431 248 G N -0.734 108.012 108.800 -0.090 0.000 2.442 248 G HA2 -0.324 3.636 3.960 0.001 0.000 0.219 248 G HA3 -0.324 3.636 3.960 0.001 0.000 0.219 248 G C 1.361 176.255 174.900 -0.009 0.000 1.141 248 G CA 1.102 46.172 45.100 -0.050 0.000 0.763 248 G HN 0.464 8.754 8.290 0.000 0.000 0.554 249 N N -0.308 118.391 118.700 -0.001 0.000 2.188 249 N HA 0.023 4.764 4.740 0.001 0.000 0.184 249 N C 2.144 177.657 175.510 0.005 0.000 1.018 249 N CA 0.315 53.374 53.050 0.015 0.000 0.858 249 N CB -0.103 38.402 38.487 0.030 0.000 0.989 249 N HN 0.285 8.665 8.380 0.000 0.000 0.426 250 L N -0.708 120.527 121.223 0.020 0.000 2.395 250 L HA 0.084 4.424 4.340 0.001 0.000 0.218 250 L C 1.357 178.120 176.870 -0.178 0.000 1.130 250 L CA 0.736 55.573 54.840 -0.004 0.000 0.826 250 L CB 0.104 42.257 42.059 0.157 0.000 0.941 250 L HN 0.386 8.616 8.230 0.000 0.000 0.451 251 G N -2.062 106.647 108.800 -0.152 0.000 2.168 251 G HA2 -0.244 3.716 3.960 0.001 0.000 0.197 251 G HA3 -0.244 3.716 3.960 0.001 0.000 0.197 251 G C -0.101 174.644 174.900 -0.259 0.000 0.997 251 G CA -0.617 44.352 45.100 -0.219 0.000 0.658 251 G HN 0.150 8.440 8.290 0.000 0.000 0.513 252 Y N 0.465 120.771 120.300 0.010 0.000 2.374 252 Y HA 0.845 5.395 4.550 0.001 0.000 0.322 252 Y C 0.993 176.882 175.900 -0.019 0.000 1.275 252 Y CA -0.709 57.406 58.100 0.024 0.000 1.307 252 Y CB 0.827 39.302 38.460 0.026 0.000 1.282 252 Y HN -0.009 8.271 8.280 0.000 0.000 0.509 253 R N 0.891 121.489 120.500 0.164 0.000 2.538 253 R HA 0.707 5.047 4.340 0.001 0.000 0.292 253 R C -1.146 175.182 176.300 0.047 0.000 1.008 253 R CA -1.083 55.058 56.100 0.069 0.000 0.896 253 R CB 1.763 32.115 30.300 0.086 0.000 1.187 253 R HN 0.769 9.039 8.270 0.000 0.000 0.440 254 A N 1.231 124.049 122.820 -0.003 0.000 2.294 254 A HA 0.481 4.801 4.320 0.001 0.000 0.330 254 A C -0.087 177.670 177.584 0.287 0.000 1.133 254 A CA -0.450 51.620 52.037 0.054 0.000 0.836 254 A CB 1.290 20.218 19.000 -0.119 0.000 1.190 254 A HN 0.529 8.679 8.150 0.000 0.000 0.492 255 S N 0.821 116.678 115.700 0.262 0.000 2.405 255 S HA 0.393 4.863 4.470 0.001 0.000 0.291 255 S C 1.205 175.989 174.600 0.307 0.000 1.137 255 S CA -0.069 58.277 58.200 0.242 0.000 1.061 255 S CB 0.223 63.488 63.200 0.108 0.000 1.001 255 S HN 1.266 9.576 8.310 0.000 0.000 0.507 256 A N 5.460 128.420 122.820 0.233 0.000 2.015 256 A HA -0.033 4.287 4.320 0.001 0.000 0.219 256 A C 2.056 179.505 177.584 -0.226 0.000 1.163 256 A CA 1.628 53.451 52.037 -0.358 0.000 0.646 256 A CB -0.455 18.176 19.000 -0.615 0.000 0.806 256 A HN 0.764 8.914 8.150 0.000 0.000 0.448 257 K N 0.672 121.027 120.400 -0.075 0.000 1.973 257 K HA -0.110 4.211 4.320 0.001 0.000 0.212 257 K C 1.611 178.186 176.600 -0.042 0.000 1.047 257 K CA 2.128 58.381 56.287 -0.058 0.000 0.937 257 K CB -0.299 32.189 32.500 -0.020 0.000 0.721 257 K HN 0.411 8.661 8.250 0.000 0.000 0.440 258 K N 0.438 120.835 120.400 -0.004 0.000 2.525 258 K HA 0.187 4.507 4.320 0.001 0.000 0.192 258 K C 0.103 176.713 176.600 0.018 0.000 1.029 258 K CA 0.260 56.550 56.287 0.005 0.000 1.029 258 K CB 0.112 32.621 32.500 0.015 0.000 0.814 258 K HN 0.236 8.486 8.250 0.000 0.000 0.503 259 A N 2.196 125.032 122.820 0.028 0.000 2.567 259 A HA -0.075 4.245 4.320 0.001 0.000 0.240 259 A C -0.272 177.307 177.584 -0.008 0.000 1.053 259 A CA 0.408 52.479 52.037 0.056 0.000 0.755 259 A CB 0.012 19.065 19.000 0.088 0.000 0.978 259 A HN 0.284 8.434 8.150 0.000 0.000 0.507 260 Q N 2.564 122.365 119.800 0.000 0.000 2.508 260 Q HA 0.340 4.680 4.340 0.001 0.000 0.247 260 Q C -0.641 175.328 176.000 -0.052 0.000 1.047 260 Q CA -0.485 55.305 55.803 -0.022 0.000 0.783 260 Q CB 1.098 29.836 28.738 0.001 0.000 1.172 260 Q HN 0.653 8.923 8.270 0.000 0.000 0.515 261 I N 0.499 120.998 120.570 -0.118 0.000 2.662 261 I HA 0.044 4.214 4.170 0.001 0.000 0.291 261 I C 0.770 176.831 176.117 -0.093 0.000 1.046 261 I CA -0.722 60.442 61.300 -0.226 0.000 1.361 261 I CB 0.938 38.624 38.000 -0.522 0.000 1.429 261 I HN 0.705 8.915 8.210 0.000 0.000 0.558 262 C N 5.324 124.590 119.300 -0.057 0.000 2.325 262 C HA -0.166 4.294 4.460 0.001 0.000 0.181 262 C C 0.837 175.960 174.990 0.222 0.000 1.437 262 C CA 0.245 59.352 59.018 0.148 0.000 2.511 262 C CB -2.482 25.377 27.740 0.198 0.000 1.708 262 C HN 0.596 8.826 8.230 0.000 0.000 0.243 263 Q N 0.793 120.682 119.800 0.148 0.000 2.378 263 Q HA 0.423 4.763 4.340 0.001 0.000 0.276 263 Q C 0.577 176.549 176.000 -0.046 0.000 1.083 263 Q CA -0.632 55.206 55.803 0.058 0.000 0.856 263 Q CB 1.186 29.948 28.738 0.040 0.000 1.383 263 Q HN 0.537 8.807 8.270 0.000 0.000 0.458 264 K N 0.192 120.472 120.400 -0.199 0.000 2.387 264 K HA 0.166 4.487 4.320 0.001 0.000 0.203 264 K C -0.074 176.513 176.600 -0.022 0.000 1.030 264 K CA 0.112 56.208 56.287 -0.319 0.000 1.099 264 K CB 1.107 33.243 32.500 -0.605 0.000 0.863 264 K HN 0.466 8.716 8.250 0.000 0.000 0.529 265 Q N 1.342 121.158 119.800 0.028 0.000 2.281 265 Q HA 0.316 4.656 4.340 0.001 0.000 0.263 265 Q C -1.653 174.354 176.000 0.012 0.000 0.989 265 Q CA -0.606 55.210 55.803 0.021 0.000 0.852 265 Q CB 2.067 30.794 28.738 -0.018 0.000 1.337 265 Q HN 0.013 8.283 8.270 0.000 0.000 0.418 266 V N -0.310 119.586 119.914 -0.030 0.000 3.178 266 V HA 0.637 4.757 4.120 0.001 0.000 0.302 266 V C -1.432 174.644 176.094 -0.031 0.000 1.262 266 V CA -1.178 61.105 62.300 -0.027 0.000 1.030 266 V CB 2.145 33.955 31.823 -0.021 0.000 1.074 266 V HN 0.707 8.897 8.190 0.000 0.000 0.438 267 K N 1.784 122.189 120.400 0.008 0.000 2.234 267 K HA 0.614 4.934 4.320 0.001 0.000 0.277 267 K C -1.830 174.838 176.600 0.112 0.000 1.038 267 K CA -0.435 55.871 56.287 0.032 0.000 0.888 267 K CB 1.423 33.930 32.500 0.011 0.000 1.091 267 K HN 0.773 9.023 8.250 0.000 0.000 0.467 268 Y N 3.284 123.553 120.300 -0.050 0.000 2.396 268 Y HA 0.176 4.726 4.550 0.000 0.000 0.332 268 Y C 0.007 175.911 175.900 0.007 0.000 1.034 268 Y CA -1.068 57.003 58.100 -0.047 0.000 1.057 268 Y CB 0.760 39.158 38.460 -0.103 0.000 1.220 268 Y HN 0.618 8.898 8.280 0.000 0.000 0.440 269 L N 6.185 127.113 121.223 -0.492 0.000 3.737 269 L HA -0.333 4.008 4.340 0.001 0.000 0.418 269 L C 1.089 177.851 176.870 -0.180 0.000 1.216 269 L CA 1.237 55.811 54.840 -0.444 0.000 0.915 269 L CB -1.714 39.934 42.059 -0.685 0.000 1.834 269 L HN 1.214 9.444 8.230 0.000 0.000 0.943 270 G N -2.637 106.071 108.800 -0.152 0.000 2.179 270 G HA2 -0.333 3.628 3.960 0.001 0.000 0.260 270 G HA3 -0.333 3.628 3.960 0.001 0.000 0.260 270 G C -0.041 174.696 174.900 -0.272 0.000 0.977 270 G CA 0.473 45.445 45.100 -0.213 0.000 0.641 270 G HN 0.443 8.733 8.290 0.000 0.000 0.533 271 Y N -1.423 118.804 120.300 -0.122 0.000 2.534 271 Y HA 0.744 5.294 4.550 0.000 0.000 0.329 271 Y C 0.227 176.080 175.900 -0.079 0.000 1.154 271 Y CA -1.248 56.795 58.100 -0.096 0.000 1.192 271 Y CB 1.643 40.038 38.460 -0.108 0.000 1.275 271 Y HN 0.169 8.449 8.280 0.000 0.000 0.491 272 L N 2.638 123.924 121.223 0.105 0.000 2.318 272 L HA 0.496 4.836 4.340 0.001 0.000 0.277 272 L C -1.805 175.054 176.870 -0.019 0.000 1.008 272 L CA -0.642 54.209 54.840 0.019 0.000 0.846 272 L CB 0.434 42.493 42.059 -0.000 0.000 1.220 272 L HN 0.398 8.628 8.230 0.000 0.000 0.423 273 L N 5.734 126.892 121.223 -0.108 0.000 2.283 273 L HA 0.465 4.805 4.340 0.001 0.000 0.287 273 L C 0.097 176.886 176.870 -0.134 0.000 1.073 273 L CA 0.251 54.950 54.840 -0.235 0.000 0.822 273 L CB 0.470 42.156 42.059 -0.621 0.000 1.186 273 L HN 0.578 8.808 8.230 0.000 0.000 0.436 274 K N 3.893 124.269 120.400 -0.040 0.000 2.790 274 K HA 0.341 4.661 4.320 0.001 0.000 0.253 274 K C -0.846 175.771 176.600 0.028 0.000 1.082 274 K CA -0.232 56.065 56.287 0.016 0.000 1.067 274 K CB 0.346 32.841 32.500 -0.009 0.000 1.284 274 K HN 0.644 8.894 8.250 0.000 0.000 0.529 275 E N 1.584 121.828 120.200 0.073 0.000 2.567 275 E HA -0.134 4.216 4.350 0.001 0.000 0.295 275 E C 0.325 176.959 176.600 0.056 0.000 1.000 275 E CA 0.412 56.837 56.400 0.041 0.000 0.878 275 E CB -1.609 28.093 29.700 0.004 0.000 1.387 275 E HN 1.075 9.435 8.360 0.000 0.000 0.399 276 G N -0.345 108.525 108.800 0.117 0.000 2.168 276 G HA2 -0.357 3.603 3.960 0.001 0.000 0.257 276 G HA3 -0.357 3.603 3.960 0.001 0.000 0.257 276 G C 0.040 174.952 174.900 0.021 0.000 0.997 276 G CA 0.769 45.920 45.100 0.086 0.000 0.708 276 G HN 0.160 8.450 8.290 0.000 0.000 0.520 277 Q N -0.347 119.457 119.800 0.005 0.000 2.309 277 Q HA 0.774 5.114 4.340 0.001 0.000 0.264 277 Q C 0.905 176.880 176.000 -0.041 0.000 1.008 277 Q CA -0.509 55.285 55.803 -0.016 0.000 0.853 277 Q CB 1.162 29.899 28.738 -0.001 0.000 1.314 277 Q HN 0.518 8.788 8.270 0.000 0.000 0.448 278 R N 0.000 120.475 120.500 -0.042 0.000 2.786 278 R HA 0.000 4.340 4.340 0.001 0.000 0.208 278 R CA 0.000 56.085 56.100 -0.025 0.000 0.921 278 R CB 0.000 30.360 30.300 0.100 0.000 0.687 278 R HN 0.000 8.270 8.270 0.000 0.000 0.535