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 2ifu_1_B DATA FIRST_RESID 1 DATA SEQUENCE AAQKISEAHE HIAKAEKYLK TSFXKWKPDY DSAASEYAKA AVAFKNAKQL DATA SEQUENCE EQAKDAYLQE AEAHANNRSL FHAAKAFEQA GXXLKDLQRX PEAVQYIEKA DATA SEQUENCE SVXYVENGTP DTAAXALDRA GKLXEPLDLS KAVHLYQQAA AVFENEERLR DATA SEQUENCE QAAELIGKAS RLLVRQQKFD EAAASLQKEK SXYKEXENYP TCYKKCIAQV DATA SEQUENCE LVQLHRADYV AAQKCVRESY SIPGFSGSED CAALEDLLQA YDEQDEEQLL DATA SEQUENCE RVCRSPLVTY XDNDYAKLAI SLKVP 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 4.320 4.320 -0.000 0.000 0.244 1 A C 0.000 177.599 177.584 0.025 0.000 1.274 1 A CA 0.000 52.050 52.037 0.022 0.000 0.836 1 A CB 0.000 19.011 19.000 0.019 0.000 0.831 2 A N -0.969 121.866 122.820 0.025 0.000 2.019 2 A HA -0.080 4.232 4.320 -0.013 0.000 0.219 2 A C 1.914 179.510 177.584 0.019 0.000 1.164 2 A CA 2.614 54.669 52.037 0.030 0.000 0.644 2 A CB -0.662 18.354 19.000 0.027 0.000 0.805 2 A HN 0.917 9.067 8.150 -0.000 0.000 0.449 3 Q N 0.213 120.018 119.800 0.008 0.000 2.112 3 Q HA -0.213 4.119 4.340 -0.013 0.000 0.206 3 Q C 1.961 177.950 176.000 -0.017 0.000 0.987 3 Q CA 2.201 58.001 55.803 -0.004 0.000 0.858 3 Q CB -0.134 28.601 28.738 -0.004 0.000 0.905 3 Q HN 0.531 8.801 8.270 -0.000 0.000 0.420 4 K N -0.245 120.145 120.400 -0.017 0.000 2.062 4 K HA -0.063 4.249 4.320 -0.013 0.000 0.205 4 K C 2.148 178.684 176.600 -0.106 0.000 1.051 4 K CA 1.219 57.478 56.287 -0.045 0.000 0.941 4 K CB -0.247 32.238 32.500 -0.025 0.000 0.719 4 K HN 0.307 8.557 8.250 -0.000 0.000 0.440 5 I N 0.988 121.524 120.570 -0.057 0.000 2.226 5 I HA -0.275 3.887 4.170 -0.013 0.000 0.245 5 I C 2.637 178.731 176.117 -0.038 0.000 1.100 5 I CA 1.102 62.361 61.300 -0.067 0.000 1.374 5 I CB -0.376 37.699 38.000 0.124 0.000 1.057 5 I HN 0.099 8.309 8.210 -0.000 0.000 0.413 6 S N 0.459 116.168 115.700 0.015 0.000 2.370 6 S HA -0.247 4.215 4.470 -0.013 0.000 0.226 6 S C 1.956 176.526 174.600 -0.051 0.000 1.033 6 S CA 1.792 60.006 58.200 0.022 0.000 1.011 6 S CB -0.309 62.892 63.200 0.002 0.000 0.852 6 S HN 0.504 8.814 8.310 -0.000 0.000 0.457 7 E N 0.813 120.954 120.200 -0.098 0.000 2.150 7 E HA -0.043 4.299 4.350 -0.013 0.000 0.193 7 E C 2.426 178.932 176.600 -0.158 0.000 0.985 7 E CA 0.893 57.209 56.400 -0.139 0.000 0.814 7 E CB -0.334 29.333 29.700 -0.054 0.000 0.752 7 E HN 0.656 9.016 8.360 -0.000 0.000 0.466 8 A N 1.227 123.869 122.820 -0.296 0.000 1.858 8 A HA -0.233 4.079 4.320 -0.013 0.000 0.216 8 A C 1.731 179.056 177.584 -0.432 0.000 1.190 8 A CA 1.803 53.482 52.037 -0.596 0.000 0.617 8 A CB -0.896 17.151 19.000 -1.589 0.000 0.827 8 A HN 0.267 8.417 8.150 -0.000 0.000 0.443 9 H N -0.458 118.489 119.070 -0.205 0.000 2.387 9 H HA -0.084 4.464 4.556 -0.013 0.000 0.299 9 H C 2.105 177.382 175.328 -0.084 0.000 1.090 9 H CA 1.629 57.640 56.048 -0.062 0.000 1.332 9 H CB -0.046 29.707 29.762 -0.014 0.000 1.386 9 H HN 0.643 8.923 8.280 -0.000 0.000 0.516 10 E N -0.172 119.992 120.200 -0.061 0.000 2.097 10 E HA -0.214 4.128 4.350 -0.013 0.000 0.196 10 E C 1.817 178.290 176.600 -0.211 0.000 1.000 10 E CA 1.168 57.464 56.400 -0.174 0.000 0.804 10 E CB -0.008 29.517 29.700 -0.292 0.000 0.740 10 E HN 0.651 9.011 8.360 -0.000 0.000 0.454 11 H N -0.070 118.932 119.070 -0.114 0.000 2.395 11 H HA -0.064 4.484 4.556 -0.013 0.000 0.299 11 H C 2.203 177.441 175.328 -0.151 0.000 1.070 11 H CA 0.831 56.800 56.048 -0.131 0.000 1.356 11 H CB 0.073 29.742 29.762 -0.154 0.000 1.401 11 H HN 0.149 8.429 8.280 -0.000 0.000 0.524 12 I N 0.994 121.570 120.570 0.011 0.000 2.179 12 I HA -0.191 3.971 4.170 -0.013 0.000 0.242 12 I C 2.783 178.879 176.117 -0.035 0.000 1.088 12 I CA 1.051 62.359 61.300 0.012 0.000 1.357 12 I CB -1.400 36.703 38.000 0.173 0.000 1.051 12 I HN 0.093 8.303 8.210 -0.000 0.000 0.409 13 A N 0.737 123.550 122.820 -0.011 0.000 1.892 13 A HA -0.259 4.053 4.320 -0.013 0.000 0.218 13 A C 2.438 179.961 177.584 -0.102 0.000 1.188 13 A CA 1.978 53.990 52.037 -0.040 0.000 0.631 13 A CB -0.606 18.369 19.000 -0.040 0.000 0.822 13 A HN 0.358 8.508 8.150 -0.000 0.000 0.447 14 K N -0.745 119.581 120.400 -0.123 0.000 2.057 14 K HA 0.004 4.316 4.320 -0.013 0.000 0.206 14 K C 2.341 178.861 176.600 -0.134 0.000 1.050 14 K CA 0.912 57.091 56.287 -0.179 0.000 0.935 14 K CB -0.307 32.134 32.500 -0.098 0.000 0.715 14 K HN 0.442 8.692 8.250 -0.000 0.000 0.439 15 A N 1.518 124.260 122.820 -0.129 0.000 1.892 15 A HA -0.272 4.040 4.320 -0.013 0.000 0.218 15 A C 1.909 179.418 177.584 -0.124 0.000 1.188 15 A CA 1.888 53.772 52.037 -0.255 0.000 0.631 15 A CB -0.532 17.871 19.000 -0.995 0.000 0.822 15 A HN 0.344 8.494 8.150 -0.000 0.000 0.447 16 E N -0.865 119.277 120.200 -0.096 0.000 2.110 16 E HA -0.189 4.153 4.350 -0.013 0.000 0.193 16 E C 2.124 178.704 176.600 -0.034 0.000 0.988 16 E CA 1.357 57.752 56.400 -0.008 0.000 0.804 16 E CB -0.095 29.618 29.700 0.021 0.000 0.745 16 E HN 0.637 8.997 8.360 -0.000 0.000 0.458 17 K N -0.252 120.082 120.400 -0.111 0.000 2.097 17 K HA -0.170 4.142 4.320 -0.013 0.000 0.206 17 K C 1.700 178.207 176.600 -0.155 0.000 1.049 17 K CA 1.138 57.324 56.287 -0.169 0.000 0.933 17 K CB -0.029 32.299 32.500 -0.286 0.000 0.717 17 K HN 0.122 8.372 8.250 -0.000 0.000 0.442 18 Y N 0.639 120.884 120.300 -0.092 0.000 2.352 18 Y HA -0.097 4.445 4.550 -0.013 0.000 0.292 18 Y C 1.718 177.546 175.900 -0.120 0.000 1.136 18 Y CA 0.889 58.926 58.100 -0.105 0.000 1.227 18 Y CB 0.009 38.399 38.460 -0.118 0.000 0.991 18 Y HN 0.015 8.295 8.280 -0.000 0.000 0.545 19 L N -0.705 120.551 121.223 0.054 0.000 2.341 19 L HA -0.045 4.287 4.340 -0.013 0.000 0.214 19 L C 1.159 178.013 176.870 -0.027 0.000 1.115 19 L CA 0.410 55.239 54.840 -0.019 0.000 0.820 19 L CB -0.309 41.785 42.059 0.059 0.000 0.944 19 L HN -0.069 8.161 8.230 -0.000 0.000 0.452 20 K N 0.243 120.637 120.400 -0.010 0.000 2.397 20 K HA 0.114 4.426 4.320 -0.013 0.000 0.265 20 K C 0.027 176.622 176.600 -0.009 0.000 0.982 20 K CA 0.507 56.790 56.287 -0.006 0.000 0.931 20 K CB 0.683 33.175 32.500 -0.013 0.000 0.943 20 K HN -0.106 8.144 8.250 -0.000 0.000 0.501 21 T N -0.399 114.165 114.554 0.017 0.000 2.864 21 T HA 0.445 4.787 4.350 -0.013 0.000 0.299 21 T C -1.651 173.093 174.700 0.074 0.000 1.166 21 T CA -0.564 61.559 62.100 0.038 0.000 1.007 21 T CB 1.529 70.429 68.868 0.054 0.000 1.219 21 T HN 0.625 8.865 8.240 -0.000 0.000 0.506 22 S N 1.209 116.974 115.700 0.109 0.000 2.587 22 S HA 0.680 5.142 4.470 -0.013 0.000 0.269 22 S C -0.856 173.876 174.600 0.220 0.000 1.154 22 S CA -0.881 57.410 58.200 0.152 0.000 0.824 22 S CB 0.557 63.799 63.200 0.069 0.000 1.118 22 S HN 0.785 9.095 8.310 -0.000 0.000 0.462 26 W N 3.050 124.318 121.300 -0.054 0.000 3.290 26 W HA 0.269 4.920 4.660 -0.014 0.000 0.287 26 W C -0.426 176.080 176.519 -0.020 0.000 1.288 26 W CA -0.571 56.761 57.345 -0.023 0.000 1.725 26 W CB 0.012 29.473 29.460 0.002 0.000 1.103 26 W HN 0.359 8.539 8.180 -0.000 0.000 0.670 27 K N 2.272 122.711 120.400 0.066 0.000 2.345 27 K HA 0.401 4.713 4.320 -0.013 0.000 0.255 27 K C -2.608 173.899 176.600 -0.155 0.000 0.934 27 K CA -1.931 54.368 56.287 0.020 0.000 0.801 27 K CB 2.026 34.523 32.500 -0.006 0.000 1.137 27 K HN -0.373 7.877 8.250 -0.000 0.000 0.424 28 P HA -0.039 4.381 4.420 -0.000 0.000 0.268 28 P C -0.968 176.000 177.300 -0.554 0.000 1.208 28 P CA -0.103 62.693 63.100 -0.507 0.000 0.777 28 P CB 0.441 31.627 31.700 -0.856 0.000 0.875 29 D N 1.564 121.785 120.400 -0.299 0.000 2.551 29 D HA 0.009 4.641 4.640 -0.013 0.000 0.223 29 D C 0.407 176.598 176.300 -0.182 0.000 1.144 29 D CA 0.026 53.911 54.000 -0.192 0.000 1.025 29 D CB -0.470 40.287 40.800 -0.072 0.000 1.085 29 D HN 0.219 8.589 8.370 -0.000 0.000 0.506 30 Y N 0.880 121.155 120.300 -0.043 0.000 2.181 30 Y HA -0.147 4.395 4.550 -0.013 0.000 0.288 30 Y C 2.114 177.943 175.900 -0.119 0.000 1.146 30 Y CA 1.054 59.126 58.100 -0.046 0.000 1.164 30 Y CB -0.402 38.049 38.460 -0.015 0.000 0.982 30 Y HN 0.308 8.588 8.280 -0.000 0.000 0.515 31 D N -0.484 119.932 120.400 0.027 0.000 2.116 31 D HA -0.175 4.457 4.640 -0.013 0.000 0.193 31 D C 2.111 178.284 176.300 -0.211 0.000 0.998 31 D CA 2.063 56.014 54.000 -0.082 0.000 0.836 31 D CB -0.133 40.625 40.800 -0.069 0.000 0.951 31 D HN 0.207 8.576 8.370 -0.000 0.000 0.449 32 S N -0.426 115.059 115.700 -0.358 0.000 2.387 32 S HA 0.008 4.470 4.470 -0.013 0.000 0.226 32 S C 2.108 176.392 174.600 -0.527 0.000 1.026 32 S CA 0.804 58.613 58.200 -0.653 0.000 0.972 32 S CB -0.365 61.935 63.200 -1.499 0.000 0.814 32 S HN 0.457 8.767 8.310 -0.000 0.000 0.477 33 A N 1.916 124.548 122.820 -0.314 0.000 1.917 33 A HA -0.072 4.240 4.320 -0.013 0.000 0.219 33 A C 2.342 179.853 177.584 -0.121 0.000 1.182 33 A CA 1.947 53.910 52.037 -0.122 0.000 0.633 33 A CB -1.128 17.903 19.000 0.052 0.000 0.819 33 A HN 0.533 8.683 8.150 -0.000 0.000 0.448 34 A N -1.079 121.660 122.820 -0.135 0.000 1.873 34 A HA -0.022 4.290 4.320 -0.013 0.000 0.215 34 A C 2.435 179.925 177.584 -0.158 0.000 1.186 34 A CA 1.903 53.808 52.037 -0.221 0.000 0.616 34 A CB -0.953 17.553 19.000 -0.822 0.000 0.823 34 A HN 0.444 8.594 8.150 -0.000 0.000 0.442 35 S N -0.284 115.312 115.700 -0.173 0.000 2.374 35 S HA -0.172 4.290 4.470 -0.013 0.000 0.227 35 S C 1.988 176.515 174.600 -0.121 0.000 1.037 35 S CA 1.585 59.714 58.200 -0.118 0.000 1.024 35 S CB -0.272 62.845 63.200 -0.137 0.000 0.861 35 S HN 0.575 8.885 8.310 -0.000 0.000 0.456 36 E N 0.156 120.273 120.200 -0.139 0.000 2.046 36 E HA -0.043 4.299 4.350 -0.013 0.000 0.190 36 E C 1.920 178.419 176.600 -0.168 0.000 0.982 36 E CA 0.912 57.233 56.400 -0.130 0.000 0.800 36 E CB -0.498 29.155 29.700 -0.079 0.000 0.756 36 E HN 0.574 8.934 8.360 -0.000 0.000 0.449 37 Y N 1.329 121.586 120.300 -0.072 0.000 2.151 37 Y HA -0.238 4.304 4.550 -0.012 0.000 0.284 37 Y C 2.451 178.245 175.900 -0.177 0.000 1.166 37 Y CA 1.080 59.121 58.100 -0.099 0.000 1.163 37 Y CB -1.106 37.299 38.460 -0.091 0.000 0.974 37 Y HN 0.043 8.323 8.280 -0.000 0.000 0.511 38 A N -0.068 122.750 122.820 -0.003 0.000 1.917 38 A HA -0.276 4.036 4.320 -0.013 0.000 0.219 38 A C 2.206 179.678 177.584 -0.187 0.000 1.182 38 A CA 2.282 54.277 52.037 -0.070 0.000 0.633 38 A CB -0.612 18.398 19.000 0.015 0.000 0.819 38 A HN 0.457 8.607 8.150 -0.000 0.000 0.448 39 K N -0.678 119.560 120.400 -0.270 0.000 2.228 39 K HA 0.158 4.470 4.320 -0.013 0.000 0.202 39 K C 2.230 178.544 176.600 -0.476 0.000 1.051 39 K CA 0.782 56.791 56.287 -0.463 0.000 0.960 39 K CB -0.210 31.769 32.500 -0.868 0.000 0.743 39 K HN 0.444 8.694 8.250 -0.000 0.000 0.458 40 A N 1.448 124.070 122.820 -0.329 0.000 1.873 40 A HA -0.113 4.199 4.320 -0.013 0.000 0.215 40 A C 2.361 179.830 177.584 -0.191 0.000 1.186 40 A CA 1.806 53.706 52.037 -0.229 0.000 0.616 40 A CB -0.794 18.185 19.000 -0.035 0.000 0.823 40 A HN 0.303 8.453 8.150 -0.000 0.000 0.442 41 A N -0.397 122.304 122.820 -0.199 0.000 1.873 41 A HA -0.093 4.219 4.320 -0.013 0.000 0.218 41 A C 2.212 179.664 177.584 -0.220 0.000 1.193 41 A CA 2.055 53.868 52.037 -0.373 0.000 0.629 41 A CB -1.154 17.067 19.000 -1.298 0.000 0.826 41 A HN 0.490 8.640 8.150 -0.000 0.000 0.447 42 V N -0.286 119.505 119.914 -0.206 0.000 2.469 42 V HA -0.247 3.865 4.120 -0.013 0.000 0.251 42 V C 2.944 179.005 176.094 -0.055 0.000 1.064 42 V CA 1.973 64.230 62.300 -0.072 0.000 1.066 42 V CB -1.244 30.539 31.823 -0.066 0.000 0.667 42 V HN 0.652 8.842 8.190 -0.000 0.000 0.461 43 A N -0.504 122.240 122.820 -0.126 0.000 1.855 43 A HA -0.080 4.232 4.320 -0.013 0.000 0.213 43 A C 1.996 179.532 177.584 -0.080 0.000 1.195 43 A CA 1.263 53.220 52.037 -0.133 0.000 0.610 43 A CB -0.681 18.190 19.000 -0.215 0.000 0.837 43 A HN 0.394 8.544 8.150 -0.000 0.000 0.444 44 F N 0.663 120.572 119.950 -0.069 0.000 2.115 44 F HA -0.215 4.304 4.527 -0.012 0.000 0.300 44 F C 2.296 178.085 175.800 -0.019 0.000 1.092 44 F CA 1.881 59.847 58.000 -0.056 0.000 1.245 44 F CB -0.382 38.566 39.000 -0.086 0.000 0.995 44 F HN 0.254 8.554 8.300 -0.000 0.000 0.481 45 K N 0.179 120.693 120.400 0.190 0.000 2.026 45 K HA -0.194 4.118 4.320 -0.013 0.000 0.208 45 K C 1.843 178.502 176.600 0.099 0.000 1.048 45 K CA 1.711 58.082 56.287 0.140 0.000 0.929 45 K CB -0.189 32.402 32.500 0.152 0.000 0.713 45 K HN 0.147 8.397 8.250 -0.000 0.000 0.439 46 N N 0.752 119.495 118.700 0.071 0.000 2.289 46 N HA -0.128 4.604 4.740 -0.013 0.000 0.184 46 N C 1.336 176.878 175.510 0.053 0.000 1.016 46 N CA 1.256 54.336 53.050 0.050 0.000 0.872 46 N CB -0.274 38.230 38.487 0.028 0.000 0.973 46 N HN 0.298 8.678 8.380 -0.000 0.000 0.433 47 A N 0.707 123.569 122.820 0.070 0.000 2.238 47 A HA 0.029 4.341 4.320 -0.013 0.000 0.208 47 A C 0.405 178.042 177.584 0.089 0.000 1.177 47 A CA 0.145 52.229 52.037 0.078 0.000 0.804 47 A CB -0.132 18.925 19.000 0.096 0.000 0.823 47 A HN 0.196 8.346 8.150 -0.000 0.000 0.482 48 K N -0.705 119.748 120.400 0.088 0.000 3.192 48 K HA -0.139 4.173 4.320 -0.013 0.000 0.278 48 K C -0.746 175.899 176.600 0.075 0.000 1.164 48 K CA 0.731 57.062 56.287 0.073 0.000 0.816 48 K CB -1.838 30.694 32.500 0.054 0.000 1.256 48 K HN 0.580 8.830 8.250 -0.000 0.000 0.497 49 Q N 0.954 120.817 119.800 0.107 0.000 3.135 49 Q HA 0.245 4.577 4.340 -0.013 0.000 0.344 49 Q C 1.593 177.590 176.000 -0.006 0.000 1.321 49 Q CA -0.059 55.782 55.803 0.062 0.000 1.050 49 Q CB 0.186 29.005 28.738 0.135 0.000 1.498 49 Q HN 0.399 8.669 8.270 -0.000 0.000 0.503 50 L N -0.397 120.834 121.223 0.014 0.000 2.043 50 L HA -0.271 4.061 4.340 -0.013 0.000 0.212 50 L C 2.228 179.083 176.870 -0.024 0.000 1.075 50 L CA 1.622 56.473 54.840 0.018 0.000 0.752 50 L CB -0.172 41.906 42.059 0.031 0.000 0.891 50 L HN 0.437 8.667 8.230 -0.000 0.000 0.432 51 E N 0.159 120.323 120.200 -0.060 0.000 2.058 51 E HA -0.270 4.072 4.350 -0.013 0.000 0.194 51 E C 2.233 178.723 176.600 -0.184 0.000 0.997 51 E CA 1.446 57.794 56.400 -0.087 0.000 0.801 51 E CB 0.016 29.673 29.700 -0.072 0.000 0.746 51 E HN 0.439 8.799 8.360 -0.000 0.000 0.450 52 Q N -0.237 119.354 119.800 -0.349 0.000 2.050 52 Q HA -0.156 4.176 4.340 -0.013 0.000 0.202 52 Q C 2.266 177.881 176.000 -0.642 0.000 0.980 52 Q CA 1.317 56.679 55.803 -0.736 0.000 0.840 52 Q CB -0.236 27.613 28.738 -1.482 0.000 0.898 52 Q HN 0.412 8.682 8.270 -0.000 0.000 0.424 53 A N 1.916 124.534 122.820 -0.338 0.000 1.903 53 A HA -0.305 4.007 4.320 -0.013 0.000 0.219 53 A C 2.044 179.646 177.584 0.030 0.000 1.191 53 A CA 1.991 54.014 52.037 -0.024 0.000 0.638 53 A CB -0.691 18.389 19.000 0.133 0.000 0.823 53 A HN 0.261 8.411 8.150 -0.000 0.000 0.451 54 K N -0.674 119.759 120.400 0.056 0.000 2.032 54 K HA -0.237 4.075 4.320 -0.013 0.000 0.209 54 K C 1.341 177.922 176.600 -0.031 0.000 1.048 54 K CA 1.943 58.275 56.287 0.075 0.000 0.927 54 K CB -0.435 32.064 32.500 -0.003 0.000 0.712 54 K HN 0.405 8.655 8.250 -0.000 0.000 0.441 55 D N 0.405 120.743 120.400 -0.104 0.000 2.178 55 D HA -0.126 4.506 4.640 -0.013 0.000 0.201 55 D C 1.741 177.962 176.300 -0.132 0.000 0.980 55 D CA 1.282 55.208 54.000 -0.122 0.000 0.842 55 D CB -0.056 40.670 40.800 -0.124 0.000 0.948 55 D HN 0.401 8.771 8.370 -0.000 0.000 0.472 56 A N -0.081 122.675 122.820 -0.107 0.000 1.929 56 A HA -0.161 4.151 4.320 -0.013 0.000 0.216 56 A C 1.920 179.405 177.584 -0.166 0.000 1.176 56 A CA 0.809 52.793 52.037 -0.089 0.000 0.628 56 A CB -0.847 18.176 19.000 0.038 0.000 0.816 56 A HN 0.183 8.333 8.150 -0.000 0.000 0.444 57 Y N 0.371 120.609 120.300 -0.103 0.000 2.274 57 Y HA -0.125 4.418 4.550 -0.010 0.000 0.290 57 Y C 2.167 177.903 175.900 -0.272 0.000 1.145 57 Y CA 1.196 59.206 58.100 -0.149 0.000 1.203 57 Y CB -0.442 37.940 38.460 -0.130 0.000 0.984 57 Y HN 0.188 8.468 8.280 -0.000 0.000 0.533 58 L N -0.771 120.368 121.223 -0.140 0.000 2.017 58 L HA -0.250 4.082 4.340 -0.013 0.000 0.208 58 L C 2.451 179.139 176.870 -0.303 0.000 1.073 58 L CA 1.127 55.826 54.840 -0.235 0.000 0.745 58 L CB -0.634 41.315 42.059 -0.183 0.000 0.894 58 L HN 0.167 8.397 8.230 -0.000 0.000 0.432 59 Q N 0.074 119.621 119.800 -0.421 0.000 2.096 59 Q HA -0.272 4.060 4.340 -0.013 0.000 0.204 59 Q C 1.938 177.577 176.000 -0.601 0.000 0.982 59 Q CA 1.840 57.198 55.803 -0.742 0.000 0.850 59 Q CB -0.466 27.290 28.738 -1.637 0.000 0.901 59 Q HN 0.586 8.856 8.270 -0.000 0.000 0.422 60 E N 0.328 120.300 120.200 -0.379 0.000 2.058 60 E HA -0.197 4.145 4.350 -0.013 0.000 0.194 60 E C 1.866 178.380 176.600 -0.142 0.000 0.997 60 E CA 1.267 57.597 56.400 -0.116 0.000 0.801 60 E CB -0.083 29.641 29.700 0.039 0.000 0.746 60 E HN 0.269 8.629 8.360 -0.000 0.000 0.450 61 A N 1.436 124.090 122.820 -0.275 0.000 1.883 61 A HA -0.231 4.081 4.320 -0.013 0.000 0.217 61 A C 2.155 179.553 177.584 -0.309 0.000 1.186 61 A CA 1.645 53.386 52.037 -0.493 0.000 0.624 61 A CB -0.652 17.483 19.000 -1.441 0.000 0.822 61 A HN 0.324 8.474 8.150 -0.000 0.000 0.444 62 E N -0.223 119.830 120.200 -0.245 0.000 2.070 62 E HA -0.229 4.113 4.350 -0.013 0.000 0.197 62 E C 2.375 178.921 176.600 -0.091 0.000 1.004 62 E CA 1.444 57.781 56.400 -0.105 0.000 0.805 62 E CB -0.423 29.228 29.700 -0.081 0.000 0.744 62 E HN 0.558 8.918 8.360 -0.000 0.000 0.451 63 A N 1.195 123.968 122.820 -0.077 0.000 1.873 63 A HA -0.187 4.125 4.320 -0.013 0.000 0.215 63 A C 1.954 179.488 177.584 -0.084 0.000 1.186 63 A CA 1.434 53.464 52.037 -0.013 0.000 0.616 63 A CB -0.804 18.233 19.000 0.061 0.000 0.823 63 A HN 0.296 8.446 8.150 -0.000 0.000 0.442 64 H N -0.194 118.859 119.070 -0.029 0.000 2.352 64 H HA -0.100 4.448 4.556 -0.014 0.000 0.299 64 H C 2.559 177.853 175.328 -0.055 0.000 1.097 64 H CA 1.534 57.567 56.048 -0.025 0.000 1.311 64 H CB -0.572 29.184 29.762 -0.009 0.000 1.377 64 H HN 0.533 8.813 8.280 -0.000 0.000 0.504 65 A N 1.730 124.572 122.820 0.037 0.000 1.877 65 A HA -0.190 4.121 4.320 -0.013 0.000 0.216 65 A C 2.255 179.779 177.584 -0.101 0.000 1.186 65 A CA 1.548 53.584 52.037 -0.003 0.000 0.620 65 A CB -0.352 18.660 19.000 0.020 0.000 0.822 65 A HN 0.382 8.532 8.150 -0.000 0.000 0.443 66 N N 0.261 118.804 118.700 -0.260 0.000 2.272 66 N HA -0.152 4.580 4.740 -0.013 0.000 0.185 66 N C 1.083 176.287 175.510 -0.510 0.000 1.014 66 N CA 1.385 54.069 53.050 -0.610 0.000 0.870 66 N CB -0.532 37.126 38.487 -1.382 0.000 0.975 66 N HN 0.564 8.944 8.380 -0.000 0.000 0.433 67 N N 1.005 119.584 118.700 -0.202 0.000 2.370 67 N HA 0.063 4.795 4.740 -0.013 0.000 0.198 67 N C -0.556 174.976 175.510 0.037 0.000 1.156 67 N CA -0.098 52.959 53.050 0.011 0.000 0.839 67 N CB -0.001 38.545 38.487 0.098 0.000 0.989 67 N HN 0.019 8.399 8.380 -0.000 0.000 0.468 68 R N -0.811 119.692 120.500 0.006 0.000 3.516 68 R HA -0.163 4.169 4.340 -0.013 0.000 0.271 68 R C -0.637 175.708 176.300 0.075 0.000 1.098 68 R CA 0.782 56.904 56.100 0.036 0.000 0.732 68 R CB -2.731 27.593 30.300 0.038 0.000 1.152 68 R HN 0.151 8.421 8.270 -0.000 0.000 0.455 69 S N 0.584 116.347 115.700 0.105 0.000 2.457 69 S HA 0.377 4.838 4.470 -0.013 0.000 0.216 69 S C 1.248 175.930 174.600 0.137 0.000 1.392 69 S CA -0.773 57.522 58.200 0.158 0.000 1.102 69 S CB 0.408 63.745 63.200 0.228 0.000 1.114 69 S HN 0.360 8.670 8.310 -0.000 0.000 0.484 70 L N 2.611 123.901 121.223 0.111 0.000 2.109 70 L HA 0.053 4.385 4.340 -0.013 0.000 0.207 70 L C 2.103 178.988 176.870 0.025 0.000 1.086 70 L CA 1.133 56.012 54.840 0.065 0.000 0.760 70 L CB -0.515 41.586 42.059 0.070 0.000 0.910 70 L HN 0.641 8.871 8.230 -0.000 0.000 0.437 71 F N 0.673 120.574 119.950 -0.083 0.000 2.126 71 F HA -0.256 4.264 4.527 -0.011 0.000 0.299 71 F C 2.448 178.063 175.800 -0.308 0.000 1.096 71 F CA 1.877 59.781 58.000 -0.159 0.000 1.255 71 F CB -0.186 38.722 39.000 -0.152 0.000 0.997 71 F HN 0.083 8.383 8.300 -0.000 0.000 0.479 72 H N -0.663 118.333 119.070 -0.123 0.000 2.428 72 H HA 0.091 4.640 4.556 -0.013 0.000 0.296 72 H C 2.318 177.333 175.328 -0.522 0.000 1.062 72 H CA 1.065 56.844 56.048 -0.450 0.000 1.350 72 H CB -0.414 28.873 29.762 -0.793 0.000 1.403 72 H HN 0.338 8.618 8.280 -0.000 0.000 0.533 73 A N 1.045 123.731 122.820 -0.224 0.000 1.883 73 A HA -0.176 4.136 4.320 -0.013 0.000 0.217 73 A C 2.519 179.947 177.584 -0.260 0.000 1.186 73 A CA 1.664 53.592 52.037 -0.181 0.000 0.624 73 A CB -1.154 17.821 19.000 -0.043 0.000 0.822 73 A HN 0.471 8.621 8.150 -0.000 0.000 0.444 74 A N -0.231 122.387 122.820 -0.337 0.000 1.865 74 A HA -0.187 4.125 4.320 -0.013 0.000 0.217 74 A C 2.086 179.416 177.584 -0.423 0.000 1.191 74 A CA 1.881 53.613 52.037 -0.508 0.000 0.623 74 A CB -0.478 17.697 19.000 -1.374 0.000 0.826 74 A HN 0.382 8.532 8.150 -0.000 0.000 0.444 75 K N -0.221 119.868 120.400 -0.518 0.000 2.127 75 K HA -0.184 4.128 4.320 -0.013 0.000 0.208 75 K C 2.152 178.617 176.600 -0.225 0.000 1.047 75 K CA 1.473 57.548 56.287 -0.352 0.000 0.927 75 K CB -0.599 31.663 32.500 -0.396 0.000 0.716 75 K HN 0.519 8.769 8.250 -0.000 0.000 0.450 76 A N 0.270 122.954 122.820 -0.226 0.000 1.930 76 A HA -0.035 4.277 4.320 -0.013 0.000 0.215 76 A C 1.972 179.412 177.584 -0.240 0.000 1.176 76 A CA 0.598 52.527 52.037 -0.180 0.000 0.632 76 A CB -0.465 18.478 19.000 -0.095 0.000 0.819 76 A HN 0.115 8.265 8.150 -0.000 0.000 0.445 77 F N 0.871 120.741 119.950 -0.133 0.000 2.095 77 F HA -0.160 4.360 4.527 -0.012 0.000 0.298 77 F C 2.397 178.117 175.800 -0.133 0.000 1.104 77 F CA 1.682 59.608 58.000 -0.123 0.000 1.232 77 F CB -0.734 38.223 39.000 -0.073 0.000 0.987 77 F HN 0.329 8.629 8.300 -0.000 0.000 0.475 78 E N -0.515 119.714 120.200 0.050 0.000 2.118 78 E HA -0.243 4.099 4.350 -0.013 0.000 0.195 78 E C 2.186 178.705 176.600 -0.135 0.000 0.992 78 E CA 1.070 57.457 56.400 -0.022 0.000 0.804 78 E CB -0.205 29.478 29.700 -0.028 0.000 0.741 78 E HN 0.372 8.732 8.360 -0.000 0.000 0.458 79 Q N 0.045 119.667 119.800 -0.297 0.000 2.119 79 Q HA -0.052 4.280 4.340 -0.013 0.000 0.201 79 Q C 2.160 177.828 176.000 -0.553 0.000 0.972 79 Q CA 1.282 56.732 55.803 -0.590 0.000 0.847 79 Q CB -0.396 27.599 28.738 -1.238 0.000 0.903 79 Q HN 0.272 8.542 8.270 -0.000 0.000 0.433 80 A N 0.786 123.379 122.820 -0.378 0.000 1.908 80 A HA -0.014 4.298 4.320 -0.013 0.000 0.218 80 A C 1.483 179.011 177.584 -0.093 0.000 1.181 80 A CA 1.372 53.289 52.037 -0.201 0.000 0.627 80 A CB -1.172 17.672 19.000 -0.261 0.000 0.818 80 A HN 0.376 8.526 8.150 -0.000 0.000 0.445 85 K N 1.208 121.620 120.400 0.020 0.000 2.020 85 K HA -0.220 4.092 4.320 -0.013 0.000 0.212 85 K C 1.166 177.772 176.600 0.010 0.000 1.050 85 K CA 2.370 58.663 56.287 0.011 0.000 0.929 85 K CB 0.012 32.515 32.500 0.004 0.000 0.714 85 K HN 0.246 8.496 8.250 -0.000 0.000 0.443 86 D N 0.481 120.888 120.400 0.011 0.000 2.309 86 D HA -0.116 4.516 4.640 -0.013 0.000 0.212 86 D C 1.325 177.634 176.300 0.016 0.000 0.968 86 D CA 0.591 54.599 54.000 0.014 0.000 0.882 86 D CB 0.121 40.931 40.800 0.017 0.000 0.918 86 D HN 0.157 8.527 8.370 -0.000 0.000 0.503 87 L N 0.769 122.002 121.223 0.016 0.000 2.611 87 L HA 0.052 4.384 4.340 -0.013 0.000 0.229 87 L C 0.197 177.074 176.870 0.013 0.000 1.137 87 L CA 0.535 55.384 54.840 0.015 0.000 0.901 87 L CB -0.540 41.529 42.059 0.016 0.000 1.098 87 L HN -0.068 8.162 8.230 -0.000 0.000 0.456 88 Q N -0.742 119.065 119.800 0.011 0.000 2.487 88 Q HA -0.243 4.089 4.340 -0.013 0.000 0.279 88 Q C 0.054 176.058 176.000 0.008 0.000 1.228 88 Q CA 0.848 56.656 55.803 0.008 0.000 0.873 88 Q CB -1.874 26.868 28.738 0.007 0.000 1.260 88 Q HN 0.486 8.756 8.270 -0.000 0.000 0.471 92 E N 0.676 120.866 120.200 -0.017 0.000 2.418 92 E HA 0.108 4.450 4.350 -0.013 0.000 0.197 92 E C 1.587 178.188 176.600 0.002 0.000 1.026 92 E CA 0.900 57.290 56.400 -0.016 0.000 0.862 92 E CB -0.096 29.625 29.700 0.035 0.000 0.799 92 E HN 0.400 8.760 8.360 -0.000 0.000 0.518 93 A N 0.630 123.470 122.820 0.033 0.000 2.016 93 A HA -0.059 4.253 4.320 -0.013 0.000 0.217 93 A C 2.359 179.936 177.584 -0.012 0.000 1.162 93 A CA 0.425 52.521 52.037 0.098 0.000 0.662 93 A CB -0.266 18.778 19.000 0.074 0.000 0.812 93 A HN 0.104 8.254 8.150 -0.000 0.000 0.450 94 V N 1.433 121.297 119.914 -0.082 0.000 2.252 94 V HA -0.426 3.686 4.120 -0.013 0.000 0.249 94 V C 2.903 178.886 176.094 -0.185 0.000 1.056 94 V CA 2.584 64.818 62.300 -0.110 0.000 1.022 94 V CB -1.086 30.678 31.823 -0.098 0.000 0.641 94 V HN 0.931 9.121 8.190 -0.000 0.000 0.445 95 Q N -0.852 118.763 119.800 -0.309 0.000 2.197 95 Q HA -0.275 4.057 4.340 -0.013 0.000 0.207 95 Q C 2.009 177.702 176.000 -0.511 0.000 0.984 95 Q CA 2.505 58.050 55.803 -0.429 0.000 0.869 95 Q CB -0.628 27.776 28.738 -0.557 0.000 0.906 95 Q HN 0.677 8.947 8.270 -0.000 0.000 0.426 96 Y N 0.673 120.883 120.300 -0.151 0.000 2.395 96 Y HA -0.029 4.513 4.550 -0.013 0.000 0.293 96 Y C 2.140 177.906 175.900 -0.222 0.000 1.123 96 Y CA 0.087 58.057 58.100 -0.218 0.000 1.227 96 Y CB -0.066 38.387 38.460 -0.012 0.000 1.012 96 Y HN 0.142 8.422 8.280 -0.000 0.000 0.552 97 I N 0.207 120.757 120.570 -0.034 0.000 2.315 97 I HA -0.193 3.969 4.170 -0.013 0.000 0.248 97 I C 1.996 178.050 176.117 -0.106 0.000 1.117 97 I CA 1.225 62.502 61.300 -0.038 0.000 1.404 97 I CB -1.113 36.867 38.000 -0.034 0.000 1.071 97 I HN 0.326 8.536 8.210 -0.000 0.000 0.419 98 E N 0.880 120.981 120.200 -0.164 0.000 2.072 98 E HA -0.199 4.143 4.350 -0.013 0.000 0.191 98 E C 2.147 178.607 176.600 -0.233 0.000 0.985 98 E CA 1.024 57.317 56.400 -0.178 0.000 0.801 98 E CB 0.028 29.620 29.700 -0.180 0.000 0.750 98 E HN 0.446 8.806 8.360 -0.000 0.000 0.452 99 K N 0.416 120.583 120.400 -0.387 0.000 2.097 99 K HA -0.079 4.233 4.320 -0.013 0.000 0.205 99 K C 2.181 178.502 176.600 -0.465 0.000 1.050 99 K CA 0.895 56.832 56.287 -0.583 0.000 0.938 99 K CB -0.094 31.706 32.500 -1.168 0.000 0.718 99 K HN 0.031 8.281 8.250 -0.000 0.000 0.442 100 A N 1.578 124.186 122.820 -0.352 0.000 1.917 100 A HA -0.230 4.082 4.320 -0.013 0.000 0.219 100 A C 2.211 179.699 177.584 -0.160 0.000 1.182 100 A CA 2.415 54.351 52.037 -0.167 0.000 0.633 100 A CB -0.750 18.208 19.000 -0.069 0.000 0.819 100 A HN 0.428 8.578 8.150 -0.000 0.000 0.448 101 S N -0.855 114.811 115.700 -0.056 0.000 2.406 101 S HA 0.040 4.502 4.470 -0.013 0.000 0.228 101 S C 1.058 175.659 174.600 0.002 0.000 1.020 101 S CA 0.663 58.890 58.200 0.045 0.000 0.965 101 S CB -1.032 62.163 63.200 -0.008 0.000 0.798 101 S HN 0.219 8.529 8.310 -0.000 0.000 0.488 105 V N -0.464 119.527 119.914 0.127 0.000 2.358 105 V HA -0.183 3.929 4.120 -0.013 0.000 0.246 105 V C 1.699 177.827 176.094 0.058 0.000 1.047 105 V CA 2.551 64.888 62.300 0.061 0.000 1.035 105 V CB -0.585 31.246 31.823 0.014 0.000 0.658 105 V HN 0.435 8.625 8.190 -0.000 0.000 0.452 106 E N 1.154 121.384 120.200 0.051 0.000 2.204 106 E HA -0.266 4.076 4.350 -0.013 0.000 0.195 106 E C 1.993 178.630 176.600 0.061 0.000 0.990 106 E CA 1.333 57.759 56.400 0.043 0.000 0.821 106 E CB -0.206 29.514 29.700 0.032 0.000 0.750 106 E HN 0.764 9.124 8.360 -0.000 0.000 0.477 107 N N -0.563 118.194 118.700 0.095 0.000 2.494 107 N HA -0.042 4.690 4.740 -0.013 0.000 0.182 107 N C 0.722 176.294 175.510 0.103 0.000 1.076 107 N CA 1.133 54.255 53.050 0.121 0.000 0.908 107 N CB 0.431 39.041 38.487 0.205 0.000 0.967 107 N HN 0.210 8.590 8.380 -0.000 0.000 0.449 108 G N -0.650 108.202 108.800 0.086 0.000 2.132 108 G HA2 -0.234 3.718 3.960 -0.013 0.000 0.228 108 G HA3 -0.234 3.718 3.960 -0.013 0.000 0.228 108 G C 0.129 175.064 174.900 0.059 0.000 1.000 108 G CA 0.578 45.713 45.100 0.058 0.000 0.693 108 G HN 0.627 8.917 8.290 -0.000 0.000 0.515 109 T N -1.837 112.772 114.554 0.091 0.000 3.444 109 T HA 0.640 4.982 4.350 -0.013 0.000 0.265 109 T C -0.812 173.884 174.700 -0.006 0.000 1.537 109 T CA -0.706 61.423 62.100 0.047 0.000 1.530 109 T CB 1.962 70.873 68.868 0.071 0.000 0.958 109 T HN 0.103 8.343 8.240 -0.000 0.000 0.684 110 P HA -0.050 4.370 4.420 -0.000 0.000 0.218 110 P C 0.973 178.183 177.300 -0.150 0.000 1.149 110 P CA 0.828 63.892 63.100 -0.059 0.000 0.817 110 P CB 0.309 31.985 31.700 -0.041 0.000 0.785 111 D N 0.095 120.439 120.400 -0.094 0.000 2.154 111 D HA -0.148 4.484 4.640 -0.013 0.000 0.190 111 D C 1.919 178.110 176.300 -0.182 0.000 1.003 111 D CA 1.970 55.920 54.000 -0.083 0.000 0.849 111 D CB -1.004 39.808 40.800 0.019 0.000 0.942 111 D HN 0.152 8.522 8.370 -0.000 0.000 0.446 112 T N 0.376 114.792 114.554 -0.230 0.000 2.833 112 T HA -0.103 4.239 4.350 -0.013 0.000 0.269 112 T C 1.944 176.399 174.700 -0.408 0.000 1.054 112 T CA 1.452 63.314 62.100 -0.397 0.000 1.135 112 T CB -0.311 68.125 68.868 -0.720 0.000 0.869 112 T HN 0.231 8.471 8.240 -0.000 0.000 0.466 113 A N 1.886 124.538 122.820 -0.279 0.000 1.877 113 A HA 0.344 4.656 4.320 -0.013 0.000 0.216 113 A C 1.764 179.234 177.584 -0.190 0.000 1.186 113 A CA 1.210 53.188 52.037 -0.097 0.000 0.620 113 A CB -1.123 17.857 19.000 -0.033 0.000 0.822 113 A HN 0.597 8.747 8.150 -0.000 0.000 0.443 117 L N 0.445 121.640 121.223 -0.047 0.000 2.017 117 L HA -0.140 4.192 4.340 -0.013 0.000 0.208 117 L C 2.318 179.176 176.870 -0.020 0.000 1.073 117 L CA 2.083 56.887 54.840 -0.061 0.000 0.745 117 L CB -0.462 41.543 42.059 -0.091 0.000 0.894 117 L HN 0.552 8.782 8.230 -0.000 0.000 0.432 118 D N 0.266 120.706 120.400 0.066 0.000 2.106 118 D HA -0.271 4.361 4.640 -0.013 0.000 0.191 118 D C 2.302 178.692 176.300 0.150 0.000 0.997 118 D CA 1.540 55.668 54.000 0.213 0.000 0.834 118 D CB -0.034 40.891 40.800 0.209 0.000 0.956 118 D HN 0.095 8.465 8.370 -0.000 0.000 0.448 119 R N -0.154 120.389 120.500 0.071 0.000 2.096 119 R HA -0.078 4.254 4.340 -0.013 0.000 0.235 119 R C 2.010 178.317 176.300 0.011 0.000 1.127 119 R CA 1.513 57.642 56.100 0.049 0.000 0.968 119 R CB -0.276 30.040 30.300 0.026 0.000 0.861 119 R HN 0.197 8.467 8.270 -0.000 0.000 0.440 120 A N 0.393 123.196 122.820 -0.028 0.000 1.970 120 A HA 0.079 4.390 4.320 -0.013 0.000 0.216 120 A C 2.333 179.837 177.584 -0.134 0.000 1.170 120 A CA 1.089 53.088 52.037 -0.064 0.000 0.645 120 A CB -0.937 18.022 19.000 -0.068 0.000 0.816 120 A HN 0.562 8.712 8.150 -0.000 0.000 0.447 121 G N 0.149 108.801 108.800 -0.247 0.000 2.553 121 G HA2 -0.359 3.593 3.960 -0.013 0.000 0.218 121 G HA3 -0.359 3.593 3.960 -0.013 0.000 0.218 121 G C 1.663 176.392 174.900 -0.285 0.000 1.195 121 G CA 1.377 46.128 45.100 -0.581 0.000 0.779 121 G HN 0.539 8.829 8.290 -0.000 0.000 0.577 122 K N -0.525 119.866 120.400 -0.016 0.000 2.152 122 K HA 0.027 4.339 4.320 -0.013 0.000 0.206 122 K C 1.210 177.826 176.600 0.026 0.000 1.048 122 K CA 0.334 56.683 56.287 0.104 0.000 0.933 122 K CB -0.210 32.369 32.500 0.130 0.000 0.721 122 K HN 0.271 8.521 8.250 -0.000 0.000 0.447 126 P HA 0.044 4.464 4.420 -0.000 0.000 0.244 126 P C 0.588 177.881 177.300 -0.011 0.000 1.211 126 P CA 1.046 64.142 63.100 -0.005 0.000 0.760 126 P CB 0.153 31.851 31.700 -0.003 0.000 0.961 127 L N -2.426 118.787 121.223 -0.017 0.000 2.815 127 L HA 0.342 4.674 4.340 -0.013 0.000 0.241 127 L C 0.049 176.905 176.870 -0.024 0.000 1.047 127 L CA 0.264 55.093 54.840 -0.020 0.000 0.939 127 L CB 0.768 42.814 42.059 -0.022 0.000 1.490 127 L HN -0.185 8.045 8.230 -0.000 0.000 0.510 128 D N -0.407 119.976 120.400 -0.029 0.000 2.300 128 D HA 0.157 4.789 4.640 -0.013 0.000 0.218 128 D C 0.397 176.676 176.300 -0.035 0.000 1.326 128 D CA -0.139 53.841 54.000 -0.032 0.000 0.942 128 D CB 0.914 41.691 40.800 -0.037 0.000 1.495 128 D HN -0.036 8.334 8.370 -0.000 0.000 0.545 129 L N 1.611 122.818 121.223 -0.027 0.000 2.191 129 L HA -0.127 4.205 4.340 -0.013 0.000 0.212 129 L C 2.217 179.076 176.870 -0.019 0.000 1.103 129 L CA 1.085 55.913 54.840 -0.020 0.000 0.769 129 L CB -0.259 41.790 42.059 -0.016 0.000 0.908 129 L HN 0.278 8.508 8.230 -0.000 0.000 0.438 130 S N -0.188 115.496 115.700 -0.027 0.000 2.383 130 S HA -0.123 4.339 4.470 -0.013 0.000 0.227 130 S C 1.844 176.437 174.600 -0.011 0.000 1.026 130 S CA 0.901 59.087 58.200 -0.023 0.000 0.981 130 S CB -0.142 63.033 63.200 -0.040 0.000 0.818 130 S HN 0.424 8.734 8.310 -0.000 0.000 0.472 131 K N 1.896 122.279 120.400 -0.029 0.000 2.103 131 K HA 0.124 4.436 4.320 -0.013 0.000 0.204 131 K C 2.525 179.091 176.600 -0.056 0.000 1.052 131 K CA 1.013 57.289 56.287 -0.018 0.000 0.945 131 K CB -0.442 32.034 32.500 -0.039 0.000 0.722 131 K HN 0.358 8.608 8.250 -0.000 0.000 0.443 132 A N 1.590 124.347 122.820 -0.105 0.000 1.917 132 A HA -0.152 4.160 4.320 -0.013 0.000 0.219 132 A C 2.470 179.906 177.584 -0.247 0.000 1.182 132 A CA 1.601 53.492 52.037 -0.242 0.000 0.633 132 A CB -0.811 18.095 19.000 -0.157 0.000 0.819 132 A HN 0.070 8.220 8.150 -0.000 0.000 0.448 133 V N -0.464 119.440 119.914 -0.017 0.000 2.295 133 V HA -0.293 3.819 4.120 -0.013 0.000 0.246 133 V C 2.464 178.615 176.094 0.094 0.000 1.049 133 V CA 2.221 64.583 62.300 0.103 0.000 1.024 133 V CB -0.963 30.915 31.823 0.091 0.000 0.648 133 V HN 0.794 8.984 8.190 -0.000 0.000 0.447 134 H N -0.266 118.779 119.070 -0.042 0.000 2.289 134 H HA -0.187 4.356 4.556 -0.023 0.000 0.296 134 H C 2.347 177.636 175.328 -0.064 0.000 1.091 134 H CA 2.255 58.275 56.048 -0.046 0.000 1.274 134 H CB -0.029 29.695 29.762 -0.062 0.000 1.364 134 H HN 0.315 8.595 8.280 -0.000 0.000 0.490 135 L N -0.069 121.030 121.223 -0.207 0.000 2.013 135 L HA -0.274 4.058 4.340 -0.013 0.000 0.212 135 L C 2.633 179.403 176.870 -0.166 0.000 1.073 135 L CA 1.441 56.119 54.840 -0.270 0.000 0.753 135 L CB -0.666 41.210 42.059 -0.305 0.000 0.890 135 L HN 0.310 8.540 8.230 -0.000 0.000 0.432 136 Y N 0.170 120.436 120.300 -0.057 0.000 2.242 136 Y HA -0.232 4.310 4.550 -0.013 0.000 0.291 136 Y C 2.741 178.621 175.900 -0.033 0.000 1.137 136 Y CA 0.892 58.977 58.100 -0.025 0.000 1.181 136 Y CB -0.732 37.730 38.460 0.003 0.000 0.989 136 Y HN 0.269 8.549 8.280 -0.000 0.000 0.527 137 Q N -0.248 119.608 119.800 0.094 0.000 2.079 137 Q HA -0.223 4.109 4.340 -0.013 0.000 0.200 137 Q C 2.184 178.159 176.000 -0.042 0.000 0.974 137 Q CA 1.554 57.374 55.803 0.028 0.000 0.840 137 Q CB -0.290 28.463 28.738 0.026 0.000 0.898 137 Q HN 0.580 8.850 8.270 -0.000 0.000 0.430 138 Q N 0.358 120.064 119.800 -0.156 0.000 2.061 138 Q HA -0.206 4.126 4.340 -0.013 0.000 0.204 138 Q C 2.228 178.166 176.000 -0.103 0.000 0.984 138 Q CA 1.417 57.117 55.803 -0.172 0.000 0.846 138 Q CB -0.325 28.249 28.738 -0.273 0.000 0.902 138 Q HN 0.407 8.677 8.270 -0.000 0.000 0.421 139 A N 1.251 124.034 122.820 -0.063 0.000 1.892 139 A HA -0.225 4.087 4.320 -0.013 0.000 0.218 139 A C 2.331 179.911 177.584 -0.006 0.000 1.188 139 A CA 1.913 53.911 52.037 -0.064 0.000 0.631 139 A CB -0.970 18.065 19.000 0.057 0.000 0.822 139 A HN 0.436 8.586 8.150 -0.000 0.000 0.447 140 A N -0.290 122.591 122.820 0.101 0.000 1.877 140 A HA 0.141 4.453 4.320 -0.013 0.000 0.216 140 A C 2.542 180.179 177.584 0.088 0.000 1.186 140 A CA 2.271 54.398 52.037 0.151 0.000 0.620 140 A CB -1.122 17.938 19.000 0.099 0.000 0.822 140 A HN 1.162 9.312 8.150 -0.000 0.000 0.443 141 A N -0.509 122.323 122.820 0.020 0.000 1.908 141 A HA -0.051 4.261 4.320 -0.013 0.000 0.218 141 A C 2.251 179.827 177.584 -0.013 0.000 1.181 141 A CA 1.940 53.976 52.037 -0.001 0.000 0.627 141 A CB -1.055 17.931 19.000 -0.023 0.000 0.818 141 A HN 0.417 8.567 8.150 -0.000 0.000 0.445 142 V N -1.262 118.611 119.914 -0.067 0.000 2.255 142 V HA -0.265 3.847 4.120 -0.013 0.000 0.247 142 V C 2.325 178.376 176.094 -0.071 0.000 1.051 142 V CA 2.248 64.476 62.300 -0.120 0.000 1.018 142 V CB -0.994 30.687 31.823 -0.236 0.000 0.641 142 V HN 0.545 8.735 8.190 -0.000 0.000 0.445 143 F N 0.451 120.387 119.950 -0.022 0.000 2.216 143 F HA -0.136 4.380 4.527 -0.019 0.000 0.300 143 F C 2.452 178.233 175.800 -0.032 0.000 1.085 143 F CA 1.756 59.740 58.000 -0.027 0.000 1.326 143 F CB -0.530 38.451 39.000 -0.032 0.000 1.027 143 F HN 0.243 8.543 8.300 -0.000 0.000 0.497 144 E N 0.160 120.454 120.200 0.157 0.000 2.077 144 E HA -0.209 4.133 4.350 -0.013 0.000 0.193 144 E C 2.057 178.684 176.600 0.044 0.000 0.989 144 E CA 1.464 57.905 56.400 0.068 0.000 0.800 144 E CB -0.051 29.670 29.700 0.035 0.000 0.746 144 E HN 0.231 8.591 8.360 -0.000 0.000 0.452 145 N N 1.178 119.898 118.700 0.033 0.000 2.120 145 N HA -0.199 4.533 4.740 -0.013 0.000 0.188 145 N C 1.233 176.758 175.510 0.025 0.000 1.024 145 N CA 1.647 54.708 53.050 0.017 0.000 0.852 145 N CB -0.345 38.144 38.487 0.003 0.000 1.003 145 N HN 0.489 8.869 8.380 -0.000 0.000 0.424 146 E N 1.226 121.449 120.200 0.040 0.000 2.438 146 E HA 0.055 4.397 4.350 -0.013 0.000 0.192 146 E C -0.600 176.032 176.600 0.052 0.000 1.110 146 E CA -0.023 56.405 56.400 0.046 0.000 0.893 146 E CB -0.487 29.245 29.700 0.053 0.000 0.990 146 E HN 0.187 8.547 8.360 -0.000 0.000 0.490 147 E N 0.681 120.907 120.200 0.044 0.000 2.389 147 E HA -0.226 4.116 4.350 -0.013 0.000 0.243 147 E C -0.781 175.831 176.600 0.019 0.000 1.154 147 E CA 0.232 56.646 56.400 0.023 0.000 0.723 147 E CB -0.859 28.846 29.700 0.009 0.000 1.261 147 E HN 0.396 8.756 8.360 -0.000 0.000 0.390 148 R N 0.656 121.184 120.500 0.046 0.000 2.471 148 R HA 0.225 4.557 4.340 -0.013 0.000 0.292 148 R C 1.140 177.396 176.300 -0.074 0.000 1.192 148 R CA -0.296 55.801 56.100 -0.006 0.000 1.257 148 R CB 0.453 30.783 30.300 0.050 0.000 1.130 148 R HN 0.176 8.446 8.270 -0.000 0.000 0.558 149 L N 1.251 122.420 121.223 -0.089 0.000 2.072 149 L HA -0.105 4.227 4.340 -0.013 0.000 0.205 149 L C 2.370 179.124 176.870 -0.193 0.000 1.079 149 L CA 1.395 56.161 54.840 -0.124 0.000 0.752 149 L CB -0.135 41.856 42.059 -0.113 0.000 0.906 149 L HN 0.447 8.677 8.230 -0.000 0.000 0.436 150 R N -0.473 119.918 120.500 -0.181 0.000 2.094 150 R HA -0.231 4.101 4.340 -0.013 0.000 0.239 150 R C 2.307 178.466 176.300 -0.235 0.000 1.137 150 R CA 1.424 57.417 56.100 -0.178 0.000 0.943 150 R CB -0.519 29.711 30.300 -0.117 0.000 0.850 150 R HN 0.290 8.560 8.270 -0.000 0.000 0.433 151 Q N 0.310 119.892 119.800 -0.363 0.000 2.096 151 Q HA -0.100 4.232 4.340 -0.013 0.000 0.204 151 Q C 2.118 177.871 176.000 -0.411 0.000 0.982 151 Q CA 2.079 57.494 55.803 -0.646 0.000 0.850 151 Q CB -0.588 27.282 28.738 -1.447 0.000 0.901 151 Q HN 0.411 8.681 8.270 -0.000 0.000 0.422 152 A N 0.444 123.138 122.820 -0.209 0.000 1.855 152 A HA -0.071 4.241 4.320 -0.013 0.000 0.215 152 A C 2.282 179.824 177.584 -0.070 0.000 1.191 152 A CA 2.089 54.120 52.037 -0.010 0.000 0.613 152 A CB -1.070 17.943 19.000 0.023 0.000 0.829 152 A HN 0.370 8.520 8.150 -0.000 0.000 0.442 153 A N -0.465 122.251 122.820 -0.175 0.000 1.917 153 A HA -0.254 4.058 4.320 -0.013 0.000 0.219 153 A C 1.978 179.514 177.584 -0.079 0.000 1.182 153 A CA 2.123 54.022 52.037 -0.230 0.000 0.633 153 A CB -0.636 17.985 19.000 -0.632 0.000 0.819 153 A HN 0.663 8.813 8.150 -0.000 0.000 0.448 154 E N -0.707 119.450 120.200 -0.071 0.000 2.085 154 E HA -0.153 4.189 4.350 -0.013 0.000 0.194 154 E C 1.881 178.454 176.600 -0.045 0.000 0.994 154 E CA 0.994 57.382 56.400 -0.020 0.000 0.801 154 E CB -0.100 29.558 29.700 -0.071 0.000 0.743 154 E HN 0.450 8.810 8.360 -0.000 0.000 0.453 155 L N 0.731 121.928 121.223 -0.044 0.000 2.093 155 L HA -0.149 4.183 4.340 -0.013 0.000 0.208 155 L C 2.231 179.083 176.870 -0.030 0.000 1.085 155 L CA 0.994 55.808 54.840 -0.042 0.000 0.755 155 L CB -0.728 41.387 42.059 0.094 0.000 0.904 155 L HN 0.318 8.548 8.230 -0.000 0.000 0.435 156 I N -0.011 120.562 120.570 0.006 0.000 2.315 156 I HA -0.147 4.015 4.170 -0.013 0.000 0.248 156 I C 2.686 178.826 176.117 0.038 0.000 1.117 156 I CA 1.256 62.573 61.300 0.027 0.000 1.404 156 I CB -1.874 36.139 38.000 0.021 0.000 1.071 156 I HN 0.183 8.393 8.210 -0.000 0.000 0.419 157 G N 1.444 110.272 108.800 0.045 0.000 2.547 157 G HA2 -0.298 3.654 3.960 -0.013 0.000 0.221 157 G HA3 -0.298 3.654 3.960 -0.013 0.000 0.221 157 G C 1.794 176.690 174.900 -0.006 0.000 1.140 157 G CA 0.814 45.952 45.100 0.064 0.000 0.760 157 G HN 0.383 8.673 8.290 -0.000 0.000 0.583 158 K N 0.451 120.781 120.400 -0.116 0.000 2.155 158 K HA 0.183 4.495 4.320 -0.013 0.000 0.203 158 K C 2.937 179.478 176.600 -0.098 0.000 1.052 158 K CA 0.747 56.892 56.287 -0.235 0.000 0.948 158 K CB -0.099 32.007 32.500 -0.657 0.000 0.728 158 K HN 0.300 8.550 8.250 -0.000 0.000 0.448 159 A N 1.307 124.123 122.820 -0.006 0.000 1.872 159 A HA -0.110 4.202 4.320 -0.013 0.000 0.214 159 A C 2.256 179.881 177.584 0.069 0.000 1.187 159 A CA 1.495 53.588 52.037 0.094 0.000 0.614 159 A CB -0.522 18.549 19.000 0.118 0.000 0.826 159 A HN 0.129 8.279 8.150 -0.000 0.000 0.442 160 S N -0.114 115.634 115.700 0.079 0.000 2.368 160 S HA -0.265 4.197 4.470 -0.013 0.000 0.226 160 S C 2.069 176.731 174.600 0.103 0.000 1.044 160 S CA 1.971 60.248 58.200 0.128 0.000 1.062 160 S CB -0.376 62.946 63.200 0.204 0.000 0.931 160 S HN 0.617 8.927 8.310 -0.000 0.000 0.440 161 R N 0.461 120.970 120.500 0.015 0.000 2.105 161 R HA 0.019 4.351 4.340 -0.013 0.000 0.239 161 R C 2.188 178.423 176.300 -0.108 0.000 1.135 161 R CA 1.132 57.133 56.100 -0.165 0.000 0.967 161 R CB -0.320 29.842 30.300 -0.231 0.000 0.861 161 R HN 0.376 8.646 8.270 -0.000 0.000 0.442 162 L N -0.185 121.018 121.223 -0.033 0.000 2.202 162 L HA -0.026 4.306 4.340 -0.013 0.000 0.205 162 L C 2.113 178.962 176.870 -0.035 0.000 1.083 162 L CA 0.478 55.309 54.840 -0.016 0.000 0.790 162 L CB -0.242 41.851 42.059 0.056 0.000 0.942 162 L HN 0.178 8.408 8.230 -0.000 0.000 0.452 163 L N -0.630 120.581 121.223 -0.020 0.000 2.013 163 L HA -0.256 4.076 4.340 -0.013 0.000 0.212 163 L C 2.561 179.341 176.870 -0.150 0.000 1.073 163 L CA 1.180 55.983 54.840 -0.062 0.000 0.753 163 L CB -0.627 41.422 42.059 -0.016 0.000 0.890 163 L HN 0.055 8.285 8.230 -0.000 0.000 0.432 164 V N -0.307 119.559 119.914 -0.080 0.000 2.332 164 V HA -0.324 3.788 4.120 -0.013 0.000 0.248 164 V C 2.672 178.676 176.094 -0.149 0.000 1.055 164 V CA 1.995 64.245 62.300 -0.082 0.000 1.038 164 V CB -0.628 31.262 31.823 0.110 0.000 0.651 164 V HN 0.442 8.632 8.190 -0.000 0.000 0.450 165 R N -0.360 120.075 120.500 -0.109 0.000 2.096 165 R HA -0.186 4.146 4.340 -0.013 0.000 0.235 165 R C 2.236 178.471 176.300 -0.108 0.000 1.127 165 R CA 1.606 57.652 56.100 -0.090 0.000 0.968 165 R CB -0.134 30.124 30.300 -0.070 0.000 0.861 165 R HN 0.590 8.860 8.270 -0.000 0.000 0.440 166 Q N -0.068 119.648 119.800 -0.140 0.000 2.472 166 Q HA -0.052 4.280 4.340 -0.013 0.000 0.208 166 Q C -0.175 175.683 176.000 -0.237 0.000 0.958 166 Q CA 0.434 56.151 55.803 -0.144 0.000 0.932 166 Q CB 0.477 29.144 28.738 -0.119 0.000 1.007 166 Q HN 0.342 8.612 8.270 -0.000 0.000 0.508 167 Q N -0.134 119.399 119.800 -0.445 0.000 2.502 167 Q HA -0.184 4.148 4.340 -0.013 0.000 0.273 167 Q C -0.904 174.585 176.000 -0.853 0.000 1.127 167 Q CA 0.584 55.854 55.803 -0.888 0.000 0.952 167 Q CB -1.389 27.186 28.738 -0.273 0.000 1.333 167 Q HN 0.243 8.513 8.270 -0.000 0.000 0.494 168 K N 0.346 120.371 120.400 -0.625 0.000 2.229 168 K HA 0.200 4.512 4.320 -0.013 0.000 0.247 168 K C 0.194 176.614 176.600 -0.300 0.000 1.117 168 K CA -0.334 55.751 56.287 -0.337 0.000 1.036 168 K CB 0.183 32.583 32.500 -0.166 0.000 1.654 168 K HN 0.083 8.333 8.250 -0.000 0.000 0.405 169 F N 0.842 120.817 119.950 0.042 0.000 2.206 169 F HA -0.147 4.377 4.527 -0.004 0.000 0.298 169 F C 1.748 177.572 175.800 0.040 0.000 1.090 169 F CA 0.943 58.971 58.000 0.047 0.000 1.323 169 F CB -0.056 38.985 39.000 0.068 0.000 1.028 169 F HN 0.398 8.698 8.300 -0.000 0.000 0.492 170 D N 0.480 120.986 120.400 0.177 0.000 2.104 170 D HA -0.174 4.458 4.640 -0.013 0.000 0.194 170 D C 2.060 178.404 176.300 0.073 0.000 0.994 170 D CA 1.451 55.516 54.000 0.108 0.000 0.830 170 D CB -0.437 40.408 40.800 0.075 0.000 0.959 170 D HN 0.401 8.771 8.370 -0.000 0.000 0.452 171 E N 0.661 120.888 120.200 0.045 0.000 2.047 171 E HA -0.097 4.245 4.350 -0.013 0.000 0.191 171 E C 2.184 178.812 176.600 0.047 0.000 0.987 171 E CA 0.832 57.250 56.400 0.031 0.000 0.799 171 E CB -0.063 29.642 29.700 0.007 0.000 0.752 171 E HN 0.171 8.531 8.360 -0.000 0.000 0.449 172 A N 1.615 124.467 122.820 0.054 0.000 1.917 172 A HA -0.220 4.092 4.320 -0.013 0.000 0.219 172 A C 2.390 180.036 177.584 0.104 0.000 1.182 172 A CA 1.952 54.045 52.037 0.093 0.000 0.633 172 A CB -0.698 18.385 19.000 0.137 0.000 0.819 172 A HN 0.312 8.462 8.150 -0.000 0.000 0.448 173 A N -0.303 122.579 122.820 0.103 0.000 1.877 173 A HA 0.175 4.487 4.320 -0.013 0.000 0.216 173 A C 2.521 180.132 177.584 0.044 0.000 1.186 173 A CA 2.103 54.181 52.037 0.069 0.000 0.620 173 A CB -1.044 17.997 19.000 0.067 0.000 0.822 173 A HN 1.119 9.269 8.150 -0.000 0.000 0.443 174 A N -0.846 122.000 122.820 0.044 0.000 1.933 174 A HA -0.096 4.216 4.320 -0.013 0.000 0.218 174 A C 2.478 180.081 177.584 0.033 0.000 1.175 174 A CA 2.179 54.234 52.037 0.031 0.000 0.628 174 A CB -0.852 18.165 19.000 0.029 0.000 0.814 174 A HN 0.579 8.729 8.150 -0.000 0.000 0.444 175 S N -0.560 115.168 115.700 0.046 0.000 2.368 175 S HA -0.058 4.404 4.470 -0.013 0.000 0.224 175 S C 1.916 176.549 174.600 0.056 0.000 1.029 175 S CA 1.265 59.497 58.200 0.052 0.000 0.988 175 S CB -0.470 62.770 63.200 0.067 0.000 0.838 175 S HN 0.478 8.788 8.310 -0.000 0.000 0.462 176 L N 1.232 122.489 121.223 0.057 0.000 2.083 176 L HA -0.086 4.246 4.340 -0.013 0.000 0.209 176 L C 2.876 179.760 176.870 0.023 0.000 1.083 176 L CA 1.369 56.233 54.840 0.040 0.000 0.752 176 L CB -0.555 41.507 42.059 0.005 0.000 0.899 176 L HN 0.342 8.572 8.230 -0.000 0.000 0.433 177 Q N 0.742 120.550 119.800 0.013 0.000 2.084 177 Q HA -0.237 4.095 4.340 -0.013 0.000 0.202 177 Q C 2.134 178.140 176.000 0.010 0.000 0.978 177 Q CA 1.766 57.569 55.803 0.001 0.000 0.844 177 Q CB -0.126 28.609 28.738 -0.005 0.000 0.898 177 Q HN 0.287 8.557 8.270 -0.000 0.000 0.426 178 K N -0.166 120.243 120.400 0.015 0.000 2.025 178 K HA -0.141 4.171 4.320 -0.013 0.000 0.207 178 K C 1.933 178.536 176.600 0.004 0.000 1.049 178 K CA 1.332 57.623 56.287 0.007 0.000 0.933 178 K CB -0.030 32.475 32.500 0.009 0.000 0.714 178 K HN 0.294 8.544 8.250 -0.000 0.000 0.438 179 E N 0.664 120.883 120.200 0.033 0.000 2.033 179 E HA -0.272 4.070 4.350 -0.013 0.000 0.199 179 E C 2.104 178.778 176.600 0.123 0.000 1.011 179 E CA 1.564 58.004 56.400 0.067 0.000 0.815 179 E CB -0.081 29.718 29.700 0.164 0.000 0.755 179 E HN 0.230 8.590 8.360 -0.000 0.000 0.451 180 K N 0.901 121.375 120.400 0.123 0.000 2.044 180 K HA -0.102 4.210 4.320 -0.013 0.000 0.210 180 K C 1.058 177.712 176.600 0.089 0.000 1.049 180 K CA 0.950 57.311 56.287 0.123 0.000 0.927 180 K CB 0.015 32.540 32.500 0.042 0.000 0.713 180 K HN -0.041 8.209 8.250 -0.000 0.000 0.443 184 K N 1.466 121.973 120.400 0.179 0.000 1.991 184 K HA -0.112 4.200 4.320 -0.013 0.000 0.212 184 K C 0.687 177.360 176.600 0.122 0.000 1.049 184 K CA 1.618 58.025 56.287 0.200 0.000 0.932 184 K CB -0.115 32.479 32.500 0.157 0.000 0.717 184 K HN 0.224 8.474 8.250 -0.000 0.000 0.441 188 N N 1.070 119.555 118.700 -0.359 0.000 3.083 188 N HA 0.074 4.806 4.740 -0.013 0.000 0.260 188 N C 0.234 175.632 175.510 -0.187 0.000 1.163 188 N CA 0.002 52.912 53.050 -0.234 0.000 1.060 188 N CB 0.016 38.493 38.487 -0.018 0.000 1.345 188 N HN 0.107 8.487 8.380 -0.000 0.000 0.515 189 Y N 1.603 121.808 120.300 -0.157 0.000 2.145 189 Y HA 0.014 4.556 4.550 -0.014 0.000 0.286 189 Y C -0.522 174.842 175.900 -0.893 0.000 1.145 189 Y CA 0.541 58.462 58.100 -0.298 0.000 1.148 189 Y CB -1.645 36.761 38.460 -0.090 0.000 0.981 189 Y HN 0.410 8.690 8.280 -0.000 0.000 0.507 190 P HA -0.152 4.268 4.420 -0.000 0.000 0.217 190 P C 1.516 178.506 177.300 -0.516 0.000 1.151 190 P CA 2.493 65.184 63.100 -0.682 0.000 0.849 190 P CB -0.119 31.421 31.700 -0.266 0.000 0.787 191 T N -1.848 112.460 114.554 -0.410 0.000 2.896 191 T HA -0.107 4.235 4.350 -0.013 0.000 0.263 191 T C 1.801 176.303 174.700 -0.330 0.000 1.050 191 T CA 1.076 62.914 62.100 -0.436 0.000 1.140 191 T CB -1.204 67.205 68.868 -0.766 0.000 0.877 191 T HN 0.142 8.382 8.240 -0.000 0.000 0.457 192 C N 1.211 120.386 119.300 -0.208 0.000 2.398 192 C HA -0.135 4.317 4.460 -0.013 0.000 0.276 192 C C 2.418 177.464 174.990 0.094 0.000 1.222 192 C CA 0.303 59.313 59.018 -0.014 0.000 1.746 192 C CB -1.469 26.338 27.740 0.112 0.000 2.039 192 C HN 0.559 8.789 8.230 -0.000 0.000 0.470 193 Y N 1.863 122.220 120.300 0.095 0.000 2.151 193 Y HA -0.155 4.387 4.550 -0.013 0.000 0.284 193 Y C 2.405 178.362 175.900 0.095 0.000 1.166 193 Y CA 0.682 58.905 58.100 0.205 0.000 1.163 193 Y CB -1.190 37.421 38.460 0.252 0.000 0.974 193 Y HN 0.388 8.668 8.280 -0.000 0.000 0.511 194 K N 0.380 120.862 120.400 0.136 0.000 2.097 194 K HA -0.114 4.198 4.320 -0.013 0.000 0.205 194 K C 1.850 178.430 176.600 -0.033 0.000 1.050 194 K CA 0.849 57.158 56.287 0.037 0.000 0.938 194 K CB -0.177 32.306 32.500 -0.028 0.000 0.718 194 K HN 0.257 8.507 8.250 -0.000 0.000 0.442 195 K N 0.985 121.357 120.400 -0.048 0.000 2.057 195 K HA -0.099 4.213 4.320 -0.013 0.000 0.206 195 K C 2.333 178.878 176.600 -0.092 0.000 1.050 195 K CA 0.719 56.958 56.287 -0.080 0.000 0.935 195 K CB -1.103 31.384 32.500 -0.022 0.000 0.715 195 K HN 0.166 8.416 8.250 -0.000 0.000 0.439 196 C N 1.417 120.691 119.300 -0.043 0.000 2.413 196 C HA -0.102 4.350 4.460 -0.013 0.000 0.276 196 C C 2.684 177.645 174.990 -0.048 0.000 1.236 196 C CA 0.484 59.459 59.018 -0.073 0.000 1.735 196 C CB -1.019 26.658 27.740 -0.105 0.000 2.031 196 C HN 0.401 8.631 8.230 -0.000 0.000 0.474 197 I N 1.317 121.889 120.570 0.004 0.000 2.151 197 I HA -0.261 3.901 4.170 -0.013 0.000 0.243 197 I C 2.844 178.895 176.117 -0.110 0.000 1.080 197 I CA 1.968 63.256 61.300 -0.020 0.000 1.339 197 I CB -0.727 37.279 38.000 0.009 0.000 1.039 197 I HN 0.453 8.663 8.210 -0.000 0.000 0.409 198 A N 0.017 122.699 122.820 -0.229 0.000 1.877 198 A HA -0.254 4.058 4.320 -0.013 0.000 0.216 198 A C 2.255 179.679 177.584 -0.267 0.000 1.186 198 A CA 1.530 53.300 52.037 -0.445 0.000 0.620 198 A CB -0.678 17.789 19.000 -0.888 0.000 0.822 198 A HN 0.460 8.610 8.150 -0.000 0.000 0.443 199 Q N -0.632 119.057 119.800 -0.186 0.000 2.077 199 Q HA -0.173 4.159 4.340 -0.013 0.000 0.206 199 Q C 2.140 178.082 176.000 -0.097 0.000 0.989 199 Q CA 1.968 57.703 55.803 -0.113 0.000 0.853 199 Q CB -0.375 28.299 28.738 -0.107 0.000 0.907 199 Q HN 0.487 8.757 8.270 -0.000 0.000 0.418 200 V N 0.752 120.605 119.914 -0.102 0.000 2.453 200 V HA -0.223 3.889 4.120 -0.013 0.000 0.247 200 V C 2.131 178.177 176.094 -0.080 0.000 1.048 200 V CA 1.265 63.505 62.300 -0.101 0.000 1.049 200 V CB -0.364 31.407 31.823 -0.087 0.000 0.672 200 V HN 0.359 8.549 8.190 -0.000 0.000 0.457 201 L N -0.643 120.546 121.223 -0.058 0.000 2.083 201 L HA -0.154 4.178 4.340 -0.013 0.000 0.209 201 L C 2.446 179.312 176.870 -0.006 0.000 1.083 201 L CA 1.151 55.983 54.840 -0.014 0.000 0.752 201 L CB -0.529 41.535 42.059 0.008 0.000 0.899 201 L HN 0.211 8.441 8.230 -0.000 0.000 0.433 202 V N -0.767 119.140 119.914 -0.012 0.000 2.307 202 V HA -0.251 3.861 4.120 -0.013 0.000 0.245 202 V C 2.529 178.594 176.094 -0.048 0.000 1.045 202 V CA 1.465 63.769 62.300 0.006 0.000 1.024 202 V CB -0.454 31.431 31.823 0.104 0.000 0.651 202 V HN 0.469 8.659 8.190 -0.000 0.000 0.449 203 Q N -0.344 119.424 119.800 -0.054 0.000 2.079 203 Q HA -0.066 4.266 4.340 -0.013 0.000 0.200 203 Q C 2.288 178.223 176.000 -0.109 0.000 0.974 203 Q CA 1.385 57.143 55.803 -0.075 0.000 0.840 203 Q CB -0.408 28.273 28.738 -0.096 0.000 0.898 203 Q HN 0.548 8.818 8.270 -0.000 0.000 0.430 204 L N -0.043 121.100 121.223 -0.133 0.000 2.083 204 L HA -0.198 4.134 4.340 -0.013 0.000 0.209 204 L C 2.601 179.420 176.870 -0.085 0.000 1.083 204 L CA 1.087 55.820 54.840 -0.179 0.000 0.752 204 L CB -0.600 41.344 42.059 -0.192 0.000 0.899 204 L HN 0.349 8.579 8.230 -0.000 0.000 0.433 205 H N 1.074 120.034 119.070 -0.182 0.000 2.357 205 H HA -0.085 4.465 4.556 -0.010 0.000 0.301 205 H C 2.131 177.285 175.328 -0.290 0.000 1.082 205 H CA 1.390 57.276 56.048 -0.269 0.000 1.342 205 H CB 0.248 29.708 29.762 -0.503 0.000 1.389 205 H HN 0.267 8.547 8.280 -0.000 0.000 0.511 206 R N 0.348 120.739 120.500 -0.181 0.000 2.377 206 R HA 0.022 4.354 4.340 -0.013 0.000 0.207 206 R C 1.103 177.373 176.300 -0.050 0.000 1.075 206 R CA 0.553 56.595 56.100 -0.096 0.000 1.035 206 R CB 0.005 30.292 30.300 -0.021 0.000 0.857 206 R HN 0.339 8.609 8.270 -0.000 0.000 0.475 207 A N 1.925 124.716 122.820 -0.049 0.000 2.745 207 A HA -0.189 4.123 4.320 -0.013 0.000 0.296 207 A C -0.047 177.564 177.584 0.045 0.000 1.500 207 A CA 1.062 53.122 52.037 0.039 0.000 0.766 207 A CB -1.522 17.510 19.000 0.054 0.000 1.030 207 A HN 0.408 8.558 8.150 -0.000 0.000 0.489 208 D N -1.275 119.126 120.400 0.001 0.000 2.590 208 D HA 0.348 4.980 4.640 -0.013 0.000 0.280 208 D C 0.717 177.011 176.300 -0.010 0.000 1.197 208 D CA -0.461 53.547 54.000 0.013 0.000 0.967 208 D CB -0.311 40.486 40.800 -0.005 0.000 0.987 208 D HN 0.487 8.857 8.370 -0.000 0.000 0.508 209 Y N 2.072 122.308 120.300 -0.106 0.000 2.151 209 Y HA -0.293 4.248 4.550 -0.014 0.000 0.284 209 Y C 1.707 177.553 175.900 -0.090 0.000 1.166 209 Y CA 1.726 59.733 58.100 -0.156 0.000 1.163 209 Y CB -0.003 38.417 38.460 -0.066 0.000 0.974 209 Y HN 0.159 8.439 8.280 -0.000 0.000 0.511 210 V N 0.393 120.307 119.914 0.000 0.000 2.287 210 V HA -0.375 3.737 4.120 -0.013 0.000 0.248 210 V C 2.707 178.711 176.094 -0.150 0.000 1.053 210 V CA 1.969 64.221 62.300 -0.081 0.000 1.027 210 V CB -1.657 30.179 31.823 0.022 0.000 0.646 210 V HN 0.589 8.779 8.190 -0.000 0.000 0.447 211 A N -0.041 122.715 122.820 -0.107 0.000 1.908 211 A HA -0.174 4.138 4.320 -0.013 0.000 0.218 211 A C 2.436 179.922 177.584 -0.164 0.000 1.181 211 A CA 2.275 54.248 52.037 -0.107 0.000 0.627 211 A CB -0.858 18.103 19.000 -0.065 0.000 0.818 211 A HN 0.610 8.760 8.150 -0.000 0.000 0.445 212 A N 0.002 122.688 122.820 -0.224 0.000 1.908 212 A HA -0.251 4.061 4.320 -0.013 0.000 0.218 212 A C 2.244 179.639 177.584 -0.316 0.000 1.181 212 A CA 1.988 53.861 52.037 -0.273 0.000 0.627 212 A CB -0.616 18.181 19.000 -0.340 0.000 0.818 212 A HN 0.815 8.965 8.150 -0.000 0.000 0.445 213 Q N -0.733 118.818 119.800 -0.415 0.000 2.163 213 Q HA -0.089 4.243 4.340 -0.013 0.000 0.198 213 Q C 1.967 177.831 176.000 -0.226 0.000 0.954 213 Q CA 1.461 57.049 55.803 -0.358 0.000 0.851 213 Q CB -0.279 28.180 28.738 -0.466 0.000 0.928 213 Q HN 0.545 8.815 8.270 -0.000 0.000 0.459 214 K N 0.458 120.743 120.400 -0.192 0.000 2.059 214 K HA -0.193 4.119 4.320 -0.013 0.000 0.212 214 K C 2.036 178.533 176.600 -0.172 0.000 1.050 214 K CA 2.154 58.354 56.287 -0.144 0.000 0.927 214 K CB -0.358 32.076 32.500 -0.111 0.000 0.714 214 K HN 0.364 8.614 8.250 -0.000 0.000 0.447 215 C N -0.389 118.800 119.300 -0.185 0.000 2.385 215 C HA -0.141 4.311 4.460 -0.013 0.000 0.275 215 C C 2.560 177.360 174.990 -0.317 0.000 1.207 215 C CA 0.877 59.766 59.018 -0.215 0.000 1.760 215 C CB -0.762 26.866 27.740 -0.187 0.000 2.051 215 C HN 0.345 8.575 8.230 -0.000 0.000 0.467 216 V N 0.511 120.236 119.914 -0.314 0.000 2.358 216 V HA -0.176 3.936 4.120 -0.013 0.000 0.246 216 V C 2.774 178.457 176.094 -0.685 0.000 1.047 216 V CA 1.711 63.752 62.300 -0.431 0.000 1.035 216 V CB -0.756 30.922 31.823 -0.242 0.000 0.658 216 V HN 0.457 8.648 8.190 -0.000 0.000 0.452 217 R N 0.035 120.289 120.500 -0.410 0.000 2.091 217 R HA -0.204 4.128 4.340 -0.013 0.000 0.238 217 R C 2.285 178.449 176.300 -0.227 0.000 1.136 217 R CA 2.012 57.972 56.100 -0.234 0.000 0.959 217 R CB -0.211 30.054 30.300 -0.059 0.000 0.856 217 R HN 0.627 8.897 8.270 -0.000 0.000 0.437 218 E N -0.491 119.559 120.200 -0.250 0.000 2.106 218 E HA -0.083 4.259 4.350 -0.013 0.000 0.192 218 E C 1.886 178.317 176.600 -0.281 0.000 0.984 218 E CA 1.346 57.627 56.400 -0.199 0.000 0.806 218 E CB 0.074 29.673 29.700 -0.168 0.000 0.750 218 E HN 0.236 8.596 8.360 -0.000 0.000 0.458 219 S N 0.374 115.757 115.700 -0.528 0.000 2.442 219 S HA -0.145 4.317 4.470 -0.013 0.000 0.236 219 S C 1.365 175.679 174.600 -0.478 0.000 1.007 219 S CA 0.678 58.411 58.200 -0.779 0.000 0.965 219 S CB -0.279 61.906 63.200 -1.691 0.000 0.773 219 S HN 0.309 8.619 8.310 -0.000 0.000 0.504 220 Y N 2.373 122.597 120.300 -0.126 0.000 2.384 220 Y HA -0.134 4.409 4.550 -0.012 0.000 0.289 220 Y C 2.781 178.686 175.900 0.009 0.000 1.152 220 Y CA 0.652 58.797 58.100 0.075 0.000 1.258 220 Y CB -0.899 37.597 38.460 0.060 0.000 0.979 220 Y HN 0.400 8.680 8.280 -0.000 0.000 0.549 221 S N -0.878 114.867 115.700 0.074 0.000 2.528 221 S HA 0.099 4.561 4.470 -0.013 0.000 0.219 221 S C 0.581 175.161 174.600 -0.033 0.000 0.985 221 S CA -0.244 57.971 58.200 0.026 0.000 0.914 221 S CB -0.796 62.409 63.200 0.007 0.000 0.776 221 S HN 0.241 8.551 8.310 -0.000 0.000 0.526 222 I N 3.585 124.118 120.570 -0.062 0.000 2.581 222 I HA 0.208 4.370 4.170 -0.013 0.000 0.285 222 I C -2.433 173.612 176.117 -0.120 0.000 1.129 222 I CA -2.161 59.069 61.300 -0.116 0.000 1.397 222 I CB 0.232 38.204 38.000 -0.046 0.000 1.399 222 I HN 0.000 8.210 8.210 -0.000 0.000 0.537 223 P HA -0.006 4.414 4.420 -0.000 0.000 0.262 223 P C 0.927 178.196 177.300 -0.051 0.000 1.182 223 P CA 0.742 63.694 63.100 -0.246 0.000 0.761 223 P CB 0.614 32.065 31.700 -0.414 0.000 0.795 224 G N 2.688 111.516 108.800 0.048 0.000 2.267 224 G HA2 -0.396 3.555 3.960 -0.013 0.000 0.257 224 G HA3 -0.396 3.555 3.960 -0.013 0.000 0.257 224 G C 0.878 175.707 174.900 -0.118 0.000 0.998 224 G CA 0.299 45.463 45.100 0.107 0.000 0.620 224 G HN 0.506 8.796 8.290 -0.000 0.000 0.529 225 F N 2.484 122.206 119.950 -0.381 0.000 2.126 225 F HA -0.001 4.517 4.527 -0.014 0.000 0.299 225 F C 2.625 178.215 175.800 -0.350 0.000 1.096 225 F CA 2.549 60.092 58.000 -0.763 0.000 1.255 225 F CB -0.279 38.470 39.000 -0.419 0.000 0.997 225 F HN 0.184 8.484 8.300 -0.000 0.000 0.479 226 S N -0.180 115.474 115.700 -0.077 0.000 2.399 226 S HA -0.117 4.345 4.470 -0.013 0.000 0.231 226 S C 2.023 176.490 174.600 -0.222 0.000 1.022 226 S CA 1.183 59.343 58.200 -0.067 0.000 0.983 226 S CB -0.942 62.269 63.200 0.018 0.000 0.803 226 S HN 0.577 8.887 8.310 -0.000 0.000 0.480 227 G N 1.122 109.796 108.800 -0.211 0.000 3.141 227 G HA2 0.202 4.154 3.960 -0.013 0.000 0.218 227 G HA3 0.202 4.154 3.960 -0.013 0.000 0.218 227 G C 0.338 175.116 174.900 -0.205 0.000 1.170 227 G CA 0.092 45.091 45.100 -0.168 0.000 0.769 227 G HN 0.535 8.825 8.290 -0.000 0.000 0.546 228 S N -0.261 115.227 115.700 -0.354 0.000 2.610 228 S HA 0.263 4.725 4.470 -0.013 0.000 0.273 228 S C 1.176 175.617 174.600 -0.265 0.000 1.274 228 S CA -0.382 57.630 58.200 -0.312 0.000 1.023 228 S CB 1.683 64.562 63.200 -0.536 0.000 0.962 228 S HN 0.175 8.485 8.310 -0.000 0.000 0.523 229 E N 2.281 122.398 120.200 -0.140 0.000 2.130 229 E HA -0.231 4.111 4.350 -0.013 0.000 0.196 229 E C 1.214 177.734 176.600 -0.133 0.000 0.998 229 E CA 2.034 58.371 56.400 -0.104 0.000 0.806 229 E CB -0.671 29.003 29.700 -0.043 0.000 0.738 229 E HN 0.832 9.192 8.360 -0.000 0.000 0.459 230 D N 0.431 120.742 120.400 -0.148 0.000 2.117 230 D HA -0.146 4.486 4.640 -0.013 0.000 0.197 230 D C 2.103 178.264 176.300 -0.232 0.000 0.987 230 D CA 1.296 55.235 54.000 -0.103 0.000 0.829 230 D CB -0.450 40.369 40.800 0.031 0.000 0.961 230 D HN 0.225 8.595 8.370 -0.000 0.000 0.460 231 C N 0.842 119.788 119.300 -0.590 0.000 2.446 231 C HA 0.094 4.546 4.460 -0.013 0.000 0.277 231 C C 2.873 177.698 174.990 -0.275 0.000 1.275 231 C CA 1.044 59.628 59.018 -0.722 0.000 1.727 231 C CB -1.170 25.777 27.740 -1.322 0.000 2.010 231 C HN 0.329 8.559 8.230 -0.000 0.000 0.486 232 A N 0.687 123.376 122.820 -0.218 0.000 1.917 232 A HA -0.004 4.308 4.320 -0.013 0.000 0.219 232 A C 2.501 180.053 177.584 -0.054 0.000 1.182 232 A CA 2.571 54.545 52.037 -0.104 0.000 0.633 232 A CB -1.230 17.716 19.000 -0.089 0.000 0.819 232 A HN 0.934 9.084 8.150 -0.000 0.000 0.448 233 A N -0.668 122.120 122.820 -0.053 0.000 1.930 233 A HA 0.071 4.383 4.320 -0.013 0.000 0.217 233 A C 2.148 179.737 177.584 0.009 0.000 1.175 233 A CA 1.362 53.393 52.037 -0.010 0.000 0.627 233 A CB -0.497 18.503 19.000 0.001 0.000 0.815 233 A HN 0.470 8.620 8.150 -0.000 0.000 0.443 234 L N -0.824 120.401 121.223 0.004 0.000 2.109 234 L HA -0.148 4.184 4.340 -0.013 0.000 0.207 234 L C 2.518 179.411 176.870 0.039 0.000 1.086 234 L CA 1.276 56.134 54.840 0.030 0.000 0.760 234 L CB -0.515 41.579 42.059 0.059 0.000 0.910 234 L HN 0.445 8.675 8.230 -0.000 0.000 0.437 235 E N 0.202 120.425 120.200 0.038 0.000 2.051 235 E HA -0.229 4.113 4.350 -0.013 0.000 0.192 235 E C 1.715 178.352 176.600 0.062 0.000 0.991 235 E CA 1.422 57.859 56.400 0.061 0.000 0.799 235 E CB -0.049 29.689 29.700 0.063 0.000 0.748 235 E HN 0.430 8.790 8.360 -0.000 0.000 0.449 236 D N 0.526 120.952 120.400 0.043 0.000 2.149 236 D HA -0.152 4.480 4.640 -0.013 0.000 0.198 236 D C 1.854 178.197 176.300 0.070 0.000 0.990 236 D CA 0.583 54.612 54.000 0.048 0.000 0.839 236 D CB -0.161 40.659 40.800 0.032 0.000 0.948 236 D HN 0.057 8.427 8.370 -0.000 0.000 0.460 237 L N 0.337 121.603 121.223 0.072 0.000 2.005 237 L HA -0.048 4.284 4.340 -0.013 0.000 0.207 237 L C 2.111 179.069 176.870 0.148 0.000 1.072 237 L CA 1.362 56.259 54.840 0.095 0.000 0.744 237 L CB -0.640 41.462 42.059 0.071 0.000 0.895 237 L HN 0.016 8.246 8.230 -0.000 0.000 0.433 238 L N -0.736 120.568 121.223 0.135 0.000 2.012 238 L HA -0.271 4.061 4.340 -0.013 0.000 0.210 238 L C 2.706 179.749 176.870 0.288 0.000 1.073 238 L CA 1.837 56.811 54.840 0.223 0.000 0.748 238 L CB -0.640 41.488 42.059 0.115 0.000 0.891 238 L HN 0.487 8.717 8.230 -0.000 0.000 0.431 239 Q N -0.063 119.845 119.800 0.180 0.000 2.061 239 Q HA -0.267 4.065 4.340 -0.013 0.000 0.204 239 Q C 2.248 178.320 176.000 0.120 0.000 0.984 239 Q CA 2.036 57.923 55.803 0.140 0.000 0.846 239 Q CB -0.099 28.693 28.738 0.091 0.000 0.902 239 Q HN 0.537 8.807 8.270 -0.000 0.000 0.421 240 A N -0.266 122.626 122.820 0.119 0.000 1.902 240 A HA -0.211 4.101 4.320 -0.013 0.000 0.217 240 A C 1.878 179.519 177.584 0.095 0.000 1.181 240 A CA 1.364 53.453 52.037 0.086 0.000 0.623 240 A CB -1.043 18.006 19.000 0.081 0.000 0.818 240 A HN 0.672 8.822 8.150 -0.000 0.000 0.443 241 Y N 0.425 120.750 120.300 0.042 0.000 2.224 241 Y HA -0.224 4.318 4.550 -0.014 0.000 0.289 241 Y C 2.160 178.002 175.900 -0.096 0.000 1.146 241 Y CA 2.086 60.193 58.100 0.011 0.000 1.182 241 Y CB -0.136 38.389 38.460 0.108 0.000 0.983 241 Y HN 0.504 8.784 8.280 -0.000 0.000 0.524 242 D N -0.388 120.055 120.400 0.073 0.000 2.091 242 D HA -0.164 4.468 4.640 -0.013 0.000 0.199 242 D C 1.620 177.861 176.300 -0.099 0.000 0.980 242 D CA 1.641 55.566 54.000 -0.124 0.000 0.831 242 D CB -0.103 40.669 40.800 -0.047 0.000 0.987 242 D HN 0.438 8.808 8.370 -0.000 0.000 0.460 243 E N -0.193 119.985 120.200 -0.038 0.000 2.478 243 E HA -0.055 4.287 4.350 -0.013 0.000 0.198 243 E C 0.101 176.661 176.600 -0.067 0.000 1.046 243 E CA 0.179 56.553 56.400 -0.042 0.000 0.870 243 E CB 0.062 29.754 29.700 -0.012 0.000 0.818 243 E HN 0.347 8.707 8.360 -0.000 0.000 0.527 244 Q N 0.664 120.402 119.800 -0.103 0.000 2.487 244 Q HA -0.181 4.151 4.340 -0.013 0.000 0.279 244 Q C -0.586 175.365 176.000 -0.081 0.000 1.228 244 Q CA 0.516 56.239 55.803 -0.132 0.000 0.873 244 Q CB -1.441 27.214 28.738 -0.137 0.000 1.260 244 Q HN 0.209 8.479 8.270 -0.000 0.000 0.471 245 D N 0.946 121.316 120.400 -0.049 0.000 2.483 245 D HA 0.079 4.711 4.640 -0.013 0.000 0.220 245 D C 0.991 177.279 176.300 -0.021 0.000 1.173 245 D CA 0.169 54.153 54.000 -0.026 0.000 0.964 245 D CB 0.486 41.282 40.800 -0.007 0.000 1.046 245 D HN 0.294 8.664 8.370 -0.000 0.000 0.517 246 E N 2.593 122.775 120.200 -0.030 0.000 2.070 246 E HA -0.279 4.063 4.350 -0.013 0.000 0.197 246 E C 1.358 177.956 176.600 -0.003 0.000 1.004 246 E CA 1.197 57.584 56.400 -0.022 0.000 0.805 246 E CB 0.218 29.902 29.700 -0.026 0.000 0.744 246 E HN 0.679 9.039 8.360 -0.000 0.000 0.451 247 E N 0.013 120.212 120.200 -0.002 0.000 2.070 247 E HA -0.268 4.074 4.350 -0.013 0.000 0.197 247 E C 2.255 178.863 176.600 0.013 0.000 1.004 247 E CA 1.341 57.744 56.400 0.005 0.000 0.805 247 E CB 0.001 29.703 29.700 0.002 0.000 0.744 247 E HN 0.255 8.615 8.360 -0.000 0.000 0.451 248 Q N 0.218 120.027 119.800 0.015 0.000 2.119 248 Q HA -0.140 4.192 4.340 -0.013 0.000 0.201 248 Q C 2.473 178.494 176.000 0.035 0.000 0.972 248 Q CA 1.103 56.920 55.803 0.024 0.000 0.847 248 Q CB -0.081 28.672 28.738 0.025 0.000 0.903 248 Q HN 0.408 8.678 8.270 -0.000 0.000 0.433 249 L N 0.279 121.525 121.223 0.038 0.000 2.056 249 L HA -0.159 4.173 4.340 -0.013 0.000 0.207 249 L C 2.176 179.077 176.870 0.052 0.000 1.078 249 L CA 0.952 55.827 54.840 0.058 0.000 0.749 249 L CB -0.177 41.922 42.059 0.065 0.000 0.901 249 L HN 0.170 8.400 8.230 -0.000 0.000 0.433 250 L N -0.514 120.731 121.223 0.037 0.000 2.083 250 L HA -0.203 4.129 4.340 -0.013 0.000 0.209 250 L C 2.841 179.731 176.870 0.034 0.000 1.083 250 L CA 1.223 56.083 54.840 0.034 0.000 0.752 250 L CB -0.625 41.448 42.059 0.024 0.000 0.899 250 L HN 0.312 8.542 8.230 -0.000 0.000 0.433 251 R N 0.032 120.551 120.500 0.031 0.000 2.073 251 R HA -0.140 4.192 4.340 -0.013 0.000 0.234 251 R C 2.215 178.537 176.300 0.037 0.000 1.134 251 R CA 1.534 57.652 56.100 0.031 0.000 0.952 251 R CB -0.141 30.175 30.300 0.026 0.000 0.850 251 R HN 0.168 8.438 8.270 -0.000 0.000 0.433 252 V N 0.074 120.013 119.914 0.041 0.000 2.358 252 V HA -0.268 3.844 4.120 -0.013 0.000 0.246 252 V C 2.362 178.487 176.094 0.051 0.000 1.047 252 V CA 1.494 63.821 62.300 0.045 0.000 1.035 252 V CB -0.385 31.467 31.823 0.048 0.000 0.658 252 V HN 0.509 8.699 8.190 -0.000 0.000 0.452 253 C N -0.234 119.099 119.300 0.055 0.000 2.430 253 C HA -0.071 4.381 4.460 -0.013 0.000 0.288 253 C C 2.376 177.397 174.990 0.051 0.000 1.448 253 C CA 0.874 59.927 59.018 0.058 0.000 1.784 253 C CB -1.459 26.319 27.740 0.063 0.000 1.776 253 C HN 0.488 8.718 8.230 -0.000 0.000 0.547 254 R N 0.264 120.792 120.500 0.046 0.000 2.508 254 R HA 0.080 4.412 4.340 -0.013 0.000 0.300 254 R C 0.603 176.932 176.300 0.050 0.000 0.970 254 R CA -0.057 56.068 56.100 0.040 0.000 1.102 254 R CB 0.338 30.657 30.300 0.032 0.000 1.246 254 R HN 0.524 8.794 8.270 -0.000 0.000 0.539 255 S N -0.034 115.701 115.700 0.058 0.000 2.586 255 S HA 0.272 4.734 4.470 -0.013 0.000 0.274 255 S C -1.893 172.770 174.600 0.105 0.000 1.281 255 S CA -1.320 56.922 58.200 0.069 0.000 1.035 255 S CB 1.673 64.906 63.200 0.055 0.000 0.962 255 S HN -0.225 8.085 8.310 -0.000 0.000 0.512 256 P HA -0.154 4.266 4.420 -0.000 0.000 0.216 256 P C 1.577 179.018 177.300 0.234 0.000 1.154 256 P CA 1.076 64.330 63.100 0.256 0.000 0.865 256 P CB -0.051 31.733 31.700 0.139 0.000 0.789 257 L N -1.319 119.978 121.223 0.123 0.000 2.043 257 L HA -0.206 4.126 4.340 -0.013 0.000 0.212 257 L C 2.257 179.199 176.870 0.121 0.000 1.075 257 L CA 1.629 56.530 54.840 0.102 0.000 0.752 257 L CB -0.685 41.411 42.059 0.063 0.000 0.891 257 L HN -0.078 8.152 8.230 -0.000 0.000 0.432 258 V N -1.087 118.893 119.914 0.110 0.000 2.379 258 V HA -0.185 3.927 4.120 -0.013 0.000 0.243 258 V C 2.547 178.701 176.094 0.100 0.000 1.035 258 V CA 1.900 64.259 62.300 0.098 0.000 1.035 258 V CB -0.550 31.319 31.823 0.076 0.000 0.673 258 V HN 0.630 8.820 8.190 -0.000 0.000 0.457 259 T N -2.533 112.074 114.554 0.088 0.000 3.007 259 T HA -0.063 4.279 4.350 -0.013 0.000 0.270 259 T C 0.735 175.374 174.700 -0.102 0.000 1.107 259 T CA 0.754 62.848 62.100 -0.011 0.000 1.118 259 T CB -0.388 68.442 68.868 -0.064 0.000 0.889 259 T HN 0.353 8.593 8.240 -0.000 0.000 0.506 263 N N 0.231 118.873 118.700 -0.096 0.000 2.060 263 N HA -0.188 4.544 4.740 -0.013 0.000 0.195 263 N C 0.768 176.207 175.510 -0.118 0.000 1.028 263 N CA 1.188 54.183 53.050 -0.091 0.000 0.861 263 N CB 0.147 38.584 38.487 -0.083 0.000 1.029 263 N HN 0.415 8.795 8.380 -0.000 0.000 0.428 264 D N -0.067 120.190 120.400 -0.239 0.000 2.178 264 D HA -0.142 4.490 4.640 -0.013 0.000 0.201 264 D C 1.558 177.770 176.300 -0.147 0.000 0.980 264 D CA 1.145 54.998 54.000 -0.246 0.000 0.842 264 D CB -0.130 40.451 40.800 -0.366 0.000 0.948 264 D HN 0.414 8.784 8.370 -0.000 0.000 0.472 265 Y N 1.242 121.549 120.300 0.012 0.000 2.243 265 Y HA 0.094 4.642 4.550 -0.004 0.000 0.293 265 Y C 2.594 178.502 175.900 0.014 0.000 1.124 265 Y CA 0.089 58.200 58.100 0.018 0.000 1.159 265 Y CB -1.043 37.430 38.460 0.023 0.000 1.008 265 Y HN -0.109 8.171 8.280 -0.000 0.000 0.527 266 A N 0.496 123.402 122.820 0.143 0.000 1.908 266 A HA -0.239 4.073 4.320 -0.013 0.000 0.218 266 A C 2.197 179.812 177.584 0.052 0.000 1.181 266 A CA 1.996 54.078 52.037 0.075 0.000 0.627 266 A CB -0.616 18.395 19.000 0.018 0.000 0.818 266 A HN 0.409 8.559 8.150 -0.000 0.000 0.445 267 K N -1.113 119.306 120.400 0.032 0.000 2.097 267 K HA -0.071 4.241 4.320 -0.013 0.000 0.206 267 K C 1.828 178.458 176.600 0.049 0.000 1.049 267 K CA 1.259 57.561 56.287 0.026 0.000 0.933 267 K CB -0.270 32.233 32.500 0.005 0.000 0.717 267 K HN 0.366 8.616 8.250 -0.000 0.000 0.442 268 L N 0.586 121.845 121.223 0.060 0.000 2.141 268 L HA -0.066 4.266 4.340 -0.013 0.000 0.209 268 L C 2.078 179.006 176.870 0.097 0.000 1.094 268 L CA 1.451 56.316 54.840 0.041 0.000 0.763 268 L CB -0.484 41.612 42.059 0.061 0.000 0.908 268 L HN 0.117 8.347 8.230 -0.000 0.000 0.437 269 A N -0.647 122.233 122.820 0.099 0.000 1.930 269 A HA -0.144 4.168 4.320 -0.013 0.000 0.217 269 A C 2.106 179.742 177.584 0.087 0.000 1.175 269 A CA 1.505 53.599 52.037 0.096 0.000 0.627 269 A CB -0.645 18.406 19.000 0.084 0.000 0.815 269 A HN 0.346 8.496 8.150 -0.000 0.000 0.443 270 I N 1.099 121.712 120.570 0.072 0.000 2.286 270 I HA -0.175 3.987 4.170 -0.013 0.000 0.248 270 I C 2.519 178.678 176.117 0.071 0.000 1.115 270 I CA 2.114 63.450 61.300 0.059 0.000 1.392 270 I CB -1.176 36.849 38.000 0.041 0.000 1.065 270 I HN 0.514 8.724 8.210 -0.000 0.000 0.418 271 S N -0.321 115.439 115.700 0.100 0.000 2.593 271 S HA 0.068 4.530 4.470 -0.013 0.000 0.217 271 S C 0.784 175.455 174.600 0.119 0.000 0.966 271 S CA -0.322 57.949 58.200 0.118 0.000 0.914 271 S CB -0.371 62.934 63.200 0.175 0.000 0.776 271 S HN 0.161 8.471 8.310 -0.000 0.000 0.523 272 L N 2.774 124.071 121.223 0.124 0.000 2.410 272 L HA 0.411 4.743 4.340 -0.013 0.000 0.273 272 L C -0.271 176.638 176.870 0.066 0.000 1.152 272 L CA 0.591 55.496 54.840 0.108 0.000 0.855 272 L CB 0.452 42.593 42.059 0.135 0.000 1.129 272 L HN 0.165 8.395 8.230 -0.000 0.000 0.463 273 K N 3.253 123.673 120.400 0.034 0.000 2.371 273 K HA 0.455 4.767 4.320 -0.013 0.000 0.251 273 K C -1.152 175.419 176.600 -0.049 0.000 0.934 273 K CA -1.041 55.243 56.287 -0.004 0.000 0.798 273 K CB 2.266 34.750 32.500 -0.026 0.000 1.204 273 K HN 0.373 8.623 8.250 -0.000 0.000 0.427 274 V N 4.364 124.218 119.914 -0.099 0.000 2.681 274 V HA -0.011 4.101 4.120 -0.013 0.000 0.306 274 V C -1.696 174.231 176.094 -0.279 0.000 1.077 274 V CA -0.735 61.419 62.300 -0.244 0.000 1.224 274 V CB -0.128 31.597 31.823 -0.163 0.000 0.879 274 V HN 0.686 8.876 8.190 -0.000 0.000 0.494 275 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 275 P CA 0.000 62.920 63.100 -0.300 0.000 0.800 275 P CB 0.000 31.475 31.700 -0.374 0.000 0.726