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 2dvj_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAGNFDSEER SSWYWGRLSR QEAVALLQGQ RHGVFLVRDS STSPGDYVLS DATA SEQUENCE VSENSRVSHY IINSSGPRPP VPPSPAQPPP GVSPSRLRIG DQEFDSLPAL DATA SEQUENCE LEFYKIHYLD TTTLIEPVSR SRQGSGVILR QEEAEYVRAL FDFNGNDEED DATA SEQUENCE LPFKKGDILR IRDKPEEQWW NAEDSEGKRG MIPVPYVEKY RPASASVSAL DATA SEQUENCE IGGNQEGSHP QPLGGPEPGP XAQPSVNT 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 M HA 0.000 4.546 4.480 0.110 0.000 0.227 1 M C 0.000 176.366 176.300 0.110 0.000 1.140 1 M CA 0.000 55.354 55.300 0.089 0.000 0.988 1 M CB 0.000 32.639 32.600 0.066 0.000 1.302 2 A N 0.540 123.438 122.820 0.130 0.000 1.344 2 A HA -0.239 4.148 4.320 0.113 0.000 0.222 2 A C -0.442 177.314 177.584 0.286 0.000 0.391 2 A CA 1.738 53.864 52.037 0.149 0.000 1.096 2 A CB -1.090 17.966 19.000 0.094 0.000 1.468 2 A HN 0.546 8.763 8.150 0.112 0.000 0.722 3 G N -1.568 107.353 108.800 0.201 0.000 4.912 3 G HA2 0.123 4.202 3.960 0.197 0.000 0.307 3 G HA3 0.123 4.122 3.960 0.065 0.000 0.307 3 G C -1.516 173.404 174.900 0.033 0.000 1.381 3 G CA -0.168 45.011 45.100 0.131 0.000 1.057 3 G HN 0.038 8.335 8.290 0.136 0.075 0.593 4 N N -0.781 117.998 118.700 0.131 0.000 2.547 4 N HA 0.101 4.827 4.740 -0.025 0.000 0.285 4 N C -2.015 173.575 175.510 0.134 0.000 1.600 4 N CA -0.311 52.776 53.050 0.062 0.000 0.872 4 N CB 1.479 40.008 38.487 0.070 0.000 1.412 4 N HN -0.190 8.400 8.380 0.350 0.000 0.489 5 F N -2.527 117.447 119.950 0.041 0.000 2.460 5 F HA 0.576 5.286 4.527 0.080 -0.134 0.341 5 F C -1.849 173.988 175.800 0.062 0.000 1.130 5 F CA -2.446 55.592 58.000 0.063 0.000 0.962 5 F CB 1.499 40.535 39.000 0.060 0.000 1.171 5 F HN -0.632 7.457 8.300 -0.350 0.000 0.436 6 D N 3.346 123.813 120.400 0.112 0.000 2.710 6 D HA 0.205 4.842 4.640 -0.006 0.000 0.276 6 D C -1.011 175.286 176.300 -0.005 0.000 1.267 6 D CA -0.481 53.521 54.000 0.003 0.000 0.772 6 D CB 4.332 45.073 40.800 -0.099 0.000 1.299 6 D HN 0.443 9.303 8.370 0.226 -0.355 0.421 7 S N -1.141 114.423 115.700 -0.227 0.000 2.503 7 S HA -0.043 3.611 4.470 -1.359 0.000 0.217 7 S C -0.116 174.110 174.600 -0.624 0.000 0.999 7 S CA 2.361 60.107 58.200 -0.757 0.000 0.914 7 S CB 0.584 63.448 63.200 -0.561 0.000 0.782 7 S HN 0.462 8.670 8.310 -0.169 0.000 0.520 8 E N -2.463 117.640 120.200 -0.162 0.000 2.609 8 E HA 0.088 4.470 4.350 0.054 0.000 0.208 8 E C -0.269 176.404 176.600 0.121 0.000 1.013 8 E CA -0.315 56.089 56.400 0.007 0.000 1.093 8 E CB -1.486 28.189 29.700 -0.043 0.000 1.129 8 E HN -0.116 8.126 8.360 -0.133 0.039 0.450 9 E N -3.271 117.084 120.200 0.259 0.000 2.447 9 E HA -0.059 4.354 4.350 0.106 0.000 0.204 9 E C -0.238 176.480 176.600 0.196 0.000 0.977 9 E CA 0.173 56.689 56.400 0.193 0.000 0.950 9 E CB 0.378 30.168 29.700 0.149 0.000 0.975 9 E HN -0.260 8.258 8.360 0.393 0.077 0.496 10 R N -3.912 116.791 120.500 0.338 0.000 3.591 10 R HA -0.374 3.654 4.340 -0.519 0.000 0.268 10 R C -0.904 175.343 176.300 -0.089 0.000 1.102 10 R CA 1.052 57.130 56.100 -0.037 0.000 0.732 10 R CB -2.868 27.446 30.300 0.024 0.000 1.117 10 R HN 0.153 8.924 8.270 0.835 0.000 0.472 11 S N -4.150 111.495 115.700 -0.093 0.000 3.019 11 S HA -0.032 4.356 4.470 -0.135 0.000 0.258 11 S C -0.204 174.265 174.600 -0.220 0.000 1.082 11 S CA 0.415 58.543 58.200 -0.120 0.000 0.836 11 S CB 0.460 63.635 63.200 -0.042 0.000 0.834 11 S HN -0.140 8.135 8.310 0.001 0.036 0.457 12 S N 0.695 116.308 115.700 -0.146 0.000 2.499 12 S HA -0.021 4.246 4.470 -0.337 0.000 0.225 12 S C 0.643 175.077 174.600 -0.275 0.000 1.050 12 S CA 2.708 60.787 58.200 -0.202 0.000 0.928 12 S CB 0.723 63.920 63.200 -0.006 0.000 0.803 12 S HN 0.183 8.486 8.310 -0.012 0.000 0.506 13 W N -2.956 118.207 121.300 -0.229 0.000 2.942 13 W HA -0.051 4.423 4.660 -0.311 0.000 0.263 13 W C -2.407 173.936 176.519 -0.293 0.000 1.296 13 W CA -0.678 56.513 57.345 -0.257 0.000 1.504 13 W CB 0.685 30.092 29.460 -0.088 0.000 1.096 13 W HN -0.264 7.982 8.180 0.109 0.000 0.639 14 Y N 0.726 120.274 120.300 -1.254 0.000 2.356 14 Y HA 0.092 3.942 4.550 -1.166 0.000 0.334 14 Y C -1.492 174.023 175.900 -0.641 0.000 0.958 14 Y CA -2.116 55.273 58.100 -1.184 0.000 1.196 14 Y CB 0.570 38.229 38.460 -1.335 0.000 1.137 14 Y HN -0.630 7.123 8.280 -0.816 0.038 0.485 15 W N 5.528 126.486 121.300 -0.571 0.000 2.678 15 W HA -0.198 4.246 4.660 -0.359 0.000 0.256 15 W C 0.366 176.477 176.519 -0.681 0.000 1.280 15 W CA 0.526 57.586 57.345 -0.476 0.000 1.345 15 W CB 1.306 30.602 29.460 -0.274 0.000 1.118 15 W HN -0.261 7.724 8.180 -0.324 0.000 0.629 16 G N -1.716 106.400 108.800 -1.139 0.000 2.779 16 G HA2 -0.486 2.454 3.960 -1.700 0.000 0.284 16 G HA3 -0.486 3.115 3.960 -0.598 0.000 0.284 16 G C -0.524 174.187 174.900 -0.316 0.000 1.326 16 G CA 0.291 44.805 45.100 -0.977 0.000 0.983 16 G HN -0.628 6.518 8.290 -1.838 0.041 0.555 17 R N 2.989 123.397 120.500 -0.154 0.000 3.472 17 R HA 0.200 4.525 4.340 -0.024 0.000 0.322 17 R C -1.027 175.227 176.300 -0.076 0.000 1.330 17 R CA -0.881 55.181 56.100 -0.063 0.000 1.387 17 R CB -0.821 29.455 30.300 -0.041 0.000 1.446 17 R HN 0.013 8.187 8.270 -0.161 0.000 0.628 18 L N 1.206 122.380 121.223 -0.081 0.000 2.397 18 L HA 0.044 4.282 4.340 -0.170 0.000 0.271 18 L C -0.063 176.743 176.870 -0.107 0.000 1.148 18 L CA -0.401 54.357 54.840 -0.137 0.000 0.825 18 L CB 1.357 43.290 42.059 -0.210 0.000 1.117 18 L HN -0.434 7.703 8.230 -0.059 0.058 0.456 19 S N 1.222 116.845 115.700 -0.128 0.000 2.568 19 S HA -0.055 4.370 4.470 -0.074 0.000 0.282 19 S C 1.398 175.948 174.600 -0.083 0.000 1.338 19 S CA 0.889 59.032 58.200 -0.095 0.000 1.045 19 S CB 0.814 63.955 63.200 -0.099 0.000 0.873 19 S HN 0.192 8.404 8.310 -0.162 0.000 0.516 20 R N 4.557 125.020 120.500 -0.061 0.000 2.200 20 R HA -0.406 3.913 4.340 -0.034 0.000 0.234 20 R C 1.528 177.801 176.300 -0.045 0.000 1.127 20 R CA 3.511 59.581 56.100 -0.050 0.000 0.989 20 R CB -0.645 29.614 30.300 -0.068 0.000 0.869 20 R HN 0.753 8.988 8.270 -0.059 0.000 0.459 21 Q N -3.473 116.295 119.800 -0.054 0.000 2.373 21 Q HA -0.113 4.211 4.340 -0.027 0.000 0.210 21 Q C 0.712 176.674 176.000 -0.064 0.000 0.913 21 Q CA 1.871 57.648 55.803 -0.044 0.000 0.911 21 Q CB -0.279 28.437 28.738 -0.037 0.000 1.040 21 Q HN 0.181 8.368 8.270 -0.063 0.046 0.521 22 E N -0.192 119.945 120.200 -0.105 0.000 2.318 22 E HA -0.063 4.205 4.350 -0.136 0.000 0.193 22 E C 1.399 177.864 176.600 -0.225 0.000 0.998 22 E CA 1.626 57.927 56.400 -0.165 0.000 0.859 22 E CB -0.267 29.308 29.700 -0.208 0.000 0.812 22 E HN 0.246 8.428 8.360 -0.105 0.115 0.492 23 A N -0.618 122.095 122.820 -0.179 0.000 2.067 23 A HA -0.126 3.988 4.320 -0.344 0.000 0.217 23 A C 1.099 178.652 177.584 -0.052 0.000 1.156 23 A CA 2.931 54.868 52.037 -0.167 0.000 0.683 23 A CB -0.207 18.752 19.000 -0.067 0.000 0.808 23 A HN 0.512 8.487 8.150 -0.130 0.096 0.455 24 V N -3.670 116.226 119.914 -0.030 0.000 3.263 24 V HA -0.089 4.055 4.120 0.039 0.000 0.248 24 V C 0.648 176.748 176.094 0.009 0.000 1.145 24 V CA 0.671 62.979 62.300 0.014 0.000 1.107 24 V CB 0.173 32.012 31.823 0.027 0.000 0.797 24 V HN -0.361 7.765 8.190 -0.048 0.035 0.467 25 A N -0.379 122.430 122.820 -0.019 0.000 1.972 25 A HA -0.143 4.188 4.320 0.019 0.000 0.219 25 A C 0.551 178.142 177.584 0.012 0.000 1.169 25 A CA 2.927 54.963 52.037 -0.002 0.000 0.635 25 A CB -0.333 18.655 19.000 -0.020 0.000 0.810 25 A HN -0.379 7.744 8.150 -0.045 0.000 0.446 26 L N -6.406 114.805 121.223 -0.019 0.000 2.269 26 L HA 0.096 4.463 4.340 0.045 0.000 0.200 26 L C 0.879 177.800 176.870 0.085 0.000 1.069 26 L CA 1.279 56.130 54.840 0.018 0.000 0.804 26 L CB -0.573 41.450 42.059 -0.059 0.000 0.987 26 L HN -0.801 7.370 8.230 -0.064 0.021 0.468 27 L N -2.226 119.057 121.223 0.101 0.000 1.994 27 L HA -0.228 4.227 4.340 0.192 0.000 0.208 27 L C 0.111 177.049 176.870 0.113 0.000 1.071 27 L CA 1.717 56.648 54.840 0.151 0.000 0.745 27 L CB 0.612 42.775 42.059 0.175 0.000 0.892 27 L HN -0.813 7.452 8.230 0.059 0.000 0.431 28 Q N -1.999 117.849 119.800 0.080 0.000 2.242 28 Q HA -0.383 3.995 4.340 0.063 0.000 0.284 28 Q C 0.274 176.313 176.000 0.064 0.000 1.130 28 Q CA 1.478 57.318 55.803 0.062 0.000 0.940 28 Q CB -0.706 28.058 28.738 0.043 0.000 1.146 28 Q HN -0.453 7.747 8.270 0.069 0.111 0.388 29 G N 5.854 114.692 108.800 0.064 0.000 2.134 29 G HA2 -0.312 3.679 3.960 0.052 0.000 0.209 29 G HA3 -0.312 3.683 3.960 0.058 0.000 0.209 29 G C 0.214 175.162 174.900 0.079 0.000 0.993 29 G CA -0.040 45.098 45.100 0.063 0.000 0.669 29 G HN 0.153 8.482 8.290 0.064 0.000 0.519 30 Q N -0.147 119.711 119.800 0.096 0.000 1.965 30 Q HA -0.129 4.275 4.340 0.106 0.000 0.200 30 Q C -0.086 175.975 176.000 0.103 0.000 0.981 30 Q CA 2.330 58.198 55.803 0.108 0.000 0.834 30 Q CB 0.772 29.590 28.738 0.133 0.000 0.900 30 Q HN 0.146 8.476 8.270 0.099 0.000 0.426 31 R N -5.833 114.734 120.500 0.111 0.000 3.853 31 R HA 0.224 4.647 4.340 0.138 0.000 0.253 31 R C -0.966 175.436 176.300 0.170 0.000 1.046 31 R CA -0.578 55.604 56.100 0.136 0.000 0.856 31 R CB -0.181 30.187 30.300 0.113 0.000 1.667 31 R HN -0.231 8.106 8.270 0.111 0.000 0.400 32 H N -1.435 117.653 119.070 0.030 0.000 2.395 32 H HA -0.048 4.526 4.556 0.030 0.000 0.299 32 H C 0.039 175.386 175.328 0.032 0.000 1.070 32 H CA 1.095 57.160 56.048 0.028 0.000 1.356 32 H CB 0.702 30.476 29.762 0.018 0.000 1.401 32 H HN 0.148 8.599 8.280 0.284 0.000 0.524 33 G N -2.682 106.209 108.800 0.151 0.000 2.739 33 G HA2 0.171 4.180 3.960 0.082 0.000 0.292 33 G HA3 0.171 4.178 3.960 0.078 0.000 0.292 33 G C -2.640 172.323 174.900 0.105 0.000 1.444 33 G CA -0.187 44.970 45.100 0.096 0.000 1.144 33 G HN -0.629 7.757 8.290 0.160 0.000 0.550 34 V N 1.930 121.928 119.914 0.140 0.000 3.204 34 V HA 1.061 5.557 4.120 0.239 -0.232 0.298 34 V C -2.087 174.228 176.094 0.368 0.000 1.328 34 V CA -1.892 60.549 62.300 0.234 0.000 1.035 34 V CB 4.765 36.716 31.823 0.212 0.000 1.095 34 V HN 0.158 8.425 8.190 0.127 0.000 0.442 35 F N -0.504 119.536 119.950 0.150 0.000 2.713 35 F HA 0.653 5.363 4.527 0.170 -0.082 0.311 35 F C -3.371 172.573 175.800 0.241 0.000 1.141 35 F CA -1.893 56.218 58.000 0.183 0.000 0.939 35 F CB 2.823 41.929 39.000 0.177 0.000 1.325 35 F HN 0.138 8.866 8.300 0.713 0.000 0.453 36 L N -6.596 114.566 121.223 -0.101 0.000 2.630 36 L HA 0.686 4.893 4.340 -0.419 -0.118 0.249 36 L C -2.108 174.745 176.870 -0.029 0.000 1.130 36 L CA -1.392 53.358 54.840 -0.151 0.000 0.987 36 L CB 2.874 45.062 42.059 0.215 0.000 1.575 36 L HN 0.843 9.024 8.230 0.104 0.112 0.386 37 V N -5.833 114.121 119.914 0.066 0.000 2.851 37 V HA 0.686 5.093 4.120 0.196 -0.170 0.307 37 V C -0.990 175.231 176.094 0.212 0.000 1.129 37 V CA -1.805 60.594 62.300 0.165 0.000 0.932 37 V CB 3.315 35.216 31.823 0.130 0.000 1.024 37 V HN -0.033 8.195 8.190 0.064 0.000 0.426 38 R N 2.582 123.218 120.500 0.228 0.000 3.055 38 R HA 0.431 4.913 4.340 0.109 -0.077 0.231 38 R C -0.582 175.873 176.300 0.258 0.000 1.443 38 R CA -1.399 54.804 56.100 0.172 0.000 1.063 38 R CB 2.842 33.206 30.300 0.107 0.000 1.514 38 R HN 0.348 8.648 8.270 0.239 0.114 0.510 39 D N -1.089 119.410 120.400 0.166 0.000 2.500 39 D HA 0.190 5.000 4.640 0.284 0.000 0.217 39 D C -1.363 174.967 176.300 0.049 0.000 1.159 39 D CA -1.615 52.486 54.000 0.168 0.000 0.828 39 D CB 2.070 42.957 40.800 0.145 0.000 1.039 39 D HN 0.580 9.003 8.370 0.088 0.000 0.512 40 S N -2.615 113.110 115.700 0.042 0.000 3.209 40 S HA -0.413 4.057 4.470 -0.001 0.000 0.787 40 S C 0.037 174.627 174.600 -0.017 0.000 0.904 40 S CA 0.270 58.473 58.200 0.005 0.000 1.341 40 S CB -0.088 63.115 63.200 0.006 0.000 1.100 40 S HN -0.051 8.294 8.310 0.058 0.000 0.534 41 S N 6.717 122.402 115.700 -0.025 0.000 2.365 41 S HA -0.344 4.110 4.470 -0.027 0.000 0.225 41 S C 1.134 175.716 174.600 -0.030 0.000 1.039 41 S CA 3.377 61.559 58.200 -0.029 0.000 1.033 41 S CB -0.122 63.058 63.200 -0.034 0.000 0.887 41 S HN 0.626 8.920 8.310 -0.027 0.000 0.447 42 T N 0.589 115.125 114.554 -0.031 0.000 2.904 42 T HA -0.061 4.272 4.350 -0.028 0.000 0.267 42 T C 0.795 175.476 174.700 -0.031 0.000 1.059 42 T CA 2.180 64.263 62.100 -0.029 0.000 1.137 42 T CB 0.143 68.994 68.868 -0.028 0.000 0.879 42 T HN -0.176 8.044 8.240 -0.033 0.000 0.467 43 S N 0.655 116.333 115.700 -0.035 0.000 2.514 43 S HA 0.434 4.875 4.470 -0.048 0.000 0.179 43 S C -0.808 173.745 174.600 -0.079 0.000 1.409 43 S CA -3.172 54.998 58.200 -0.049 0.000 1.138 43 S CB 0.130 63.307 63.200 -0.039 0.000 1.217 43 S HN -0.058 8.127 8.310 -0.031 0.107 0.493 44 P HA -0.021 4.514 4.420 -0.064 -0.153 0.219 44 P C 0.288 177.493 177.300 -0.158 0.000 1.146 44 P CA 1.210 64.261 63.100 -0.082 0.000 0.808 44 P CB 0.540 32.209 31.700 -0.050 0.000 0.779 45 G N -5.070 103.630 108.800 -0.167 0.000 2.683 45 G HA2 -0.076 3.742 3.960 -0.236 0.000 0.213 45 G HA3 -0.076 3.796 3.960 -0.148 0.000 0.213 45 G C -1.057 173.601 174.900 -0.403 0.000 1.142 45 G CA -0.679 44.283 45.100 -0.231 0.000 0.793 45 G HN 0.253 8.442 8.290 -0.118 0.030 0.534 46 D N 0.860 121.065 120.400 -0.324 0.000 2.256 46 D HA 0.184 4.622 4.640 -0.337 0.000 0.240 46 D C -1.346 174.788 176.300 -0.276 0.000 1.062 46 D CA -0.990 52.838 54.000 -0.287 0.000 0.832 46 D CB 1.635 42.383 40.800 -0.087 0.000 1.135 46 D HN -0.580 7.490 8.370 -0.217 0.169 0.484 47 Y N -0.827 119.525 120.300 0.088 0.000 2.326 47 Y HA -0.084 4.628 4.550 0.127 -0.085 0.324 47 Y C -0.642 175.336 175.900 0.131 0.000 1.291 47 Y CA -0.611 57.559 58.100 0.118 0.000 1.348 47 Y CB 1.387 39.914 38.460 0.112 0.000 1.294 47 Y HN 0.373 8.565 8.280 -0.146 0.000 0.525 48 V N -1.798 118.307 119.914 0.319 0.000 3.001 48 V HA 0.923 5.385 4.120 0.262 -0.185 0.314 48 V C -2.039 174.221 176.094 0.277 0.000 1.099 48 V CA -3.035 59.422 62.300 0.261 0.000 0.989 48 V CB 4.633 36.573 31.823 0.196 0.000 1.040 48 V HN 0.578 8.871 8.190 0.356 0.110 0.434 49 L N 5.890 127.292 121.223 0.298 0.000 2.343 49 L HA 0.674 5.329 4.340 0.273 -0.151 0.278 49 L C -2.048 174.994 176.870 0.287 0.000 0.996 49 L CA -1.643 53.386 54.840 0.314 0.000 0.831 49 L CB 1.604 43.886 42.059 0.372 0.000 1.232 49 L HN 1.010 9.305 8.230 0.325 0.130 0.413 50 S N 6.374 122.202 115.700 0.212 0.000 2.525 50 S HA 0.415 5.076 4.470 0.034 -0.171 0.290 50 S C -1.215 173.514 174.600 0.215 0.000 1.152 50 S CA -2.054 56.229 58.200 0.139 0.000 1.072 50 S CB 1.294 64.565 63.200 0.118 0.000 1.027 50 S HN 0.575 8.887 8.310 0.195 0.115 0.500 51 V N 1.550 121.555 119.914 0.152 0.000 2.516 51 V HA 0.367 4.790 4.120 0.311 -0.116 0.271 51 V C -0.921 175.236 176.094 0.105 0.000 0.992 51 V CA -1.703 60.724 62.300 0.213 0.000 0.857 51 V CB 1.714 33.693 31.823 0.259 0.000 1.047 51 V HN -0.465 7.815 8.190 0.014 -0.082 0.455 52 S N 7.023 122.794 115.700 0.118 0.000 3.452 52 S HA -0.269 4.229 4.470 0.048 0.000 0.410 52 S C 0.398 175.019 174.600 0.035 0.000 1.076 52 S CA 1.142 59.385 58.200 0.071 0.000 1.538 52 S CB 0.014 63.271 63.200 0.095 0.000 1.006 52 S HN 0.069 8.481 8.310 0.170 0.000 0.576 53 E N 7.528 127.728 120.200 -0.000 0.000 2.046 53 E HA 0.009 4.347 4.350 -0.020 0.000 0.199 53 E C 0.134 176.725 176.600 -0.016 0.000 0.948 53 E CA 0.658 57.047 56.400 -0.020 0.000 0.876 53 E CB 0.487 30.162 29.700 -0.042 0.000 0.901 53 E HN -0.154 8.198 8.360 -0.014 0.000 0.479 54 N N -0.353 118.337 118.700 -0.017 0.000 2.982 54 N HA 0.042 4.776 4.740 -0.010 0.000 0.319 54 N C 0.571 176.079 175.510 -0.003 0.000 1.372 54 N CA -0.678 52.366 53.050 -0.010 0.000 0.735 54 N CB 0.370 38.852 38.487 -0.008 0.000 1.158 54 N HN -0.418 7.946 8.380 -0.027 0.000 0.505 55 S N -0.079 115.621 115.700 0.000 0.000 2.422 55 S HA -0.292 4.183 4.470 0.009 0.000 0.248 55 S C 0.363 174.969 174.600 0.011 0.000 1.069 55 S CA 2.691 60.895 58.200 0.007 0.000 1.214 55 S CB 0.055 63.260 63.200 0.008 0.000 1.122 55 S HN 0.187 8.496 8.310 -0.001 0.000 0.432 56 R N -3.323 117.181 120.500 0.006 0.000 2.523 56 R HA 0.061 4.412 4.340 0.020 0.000 0.223 56 R C -1.043 175.254 176.300 -0.004 0.000 1.280 56 R CA -0.874 55.232 56.100 0.010 0.000 1.047 56 R CB 0.834 31.144 30.300 0.016 0.000 1.650 56 R HN -0.128 8.142 8.270 0.001 0.000 0.545 57 V N -4.254 115.655 119.914 -0.008 0.000 4.219 57 V HA 0.140 4.332 4.120 -0.013 -0.079 0.275 57 V C -0.655 175.354 176.094 -0.143 0.000 1.240 57 V CA -2.198 60.084 62.300 -0.030 0.000 0.821 57 V CB 1.127 32.960 31.823 0.016 0.000 1.250 57 V HN 0.034 8.229 8.190 0.009 0.000 0.428 58 S N -0.372 115.191 115.700 -0.227 0.000 2.395 58 S HA 0.278 4.352 4.470 -0.661 0.000 0.207 58 S C -1.209 172.901 174.600 -0.817 0.000 1.454 58 S CA -1.111 56.737 58.200 -0.587 0.000 1.211 58 S CB 0.104 63.009 63.200 -0.492 0.000 1.093 58 S HN 0.138 8.449 8.310 -0.125 -0.077 0.472 59 H N 4.672 123.476 119.070 -0.443 0.000 3.026 59 H HA 0.022 4.474 4.556 -0.174 0.000 0.289 59 H C -1.324 173.771 175.328 -0.389 0.000 1.022 59 H CA -0.842 55.030 56.048 -0.293 0.000 1.477 59 H CB -0.719 28.966 29.762 -0.128 0.000 1.510 59 H HN 0.120 7.857 8.280 -0.905 0.000 0.535 60 Y N 3.167 123.570 120.300 0.170 0.000 2.350 60 Y HA 0.093 4.721 4.550 0.130 0.000 0.338 60 Y C -1.701 174.287 175.900 0.146 0.000 0.961 60 Y CA -1.879 56.299 58.100 0.131 0.000 1.100 60 Y CB 2.108 40.614 38.460 0.078 0.000 1.179 60 Y HN -0.112 8.146 8.280 0.122 0.094 0.454 61 I N 4.208 124.954 120.570 0.293 0.000 2.352 61 I HA 0.018 4.304 4.170 0.194 0.000 0.290 61 I C -1.272 174.954 176.117 0.181 0.000 1.036 61 I CA -1.987 59.432 61.300 0.199 0.000 1.336 61 I CB -0.110 37.972 38.000 0.138 0.000 1.407 61 I HN -0.334 8.065 8.210 0.314 0.000 0.497 62 I N 7.500 128.184 120.570 0.191 0.000 2.783 62 I HA 0.184 4.575 4.170 0.161 -0.124 0.312 62 I C -0.905 175.300 176.117 0.146 0.000 0.988 62 I CA -1.251 60.161 61.300 0.187 0.000 1.182 62 I CB 2.580 40.730 38.000 0.250 0.000 1.368 62 I HN 0.875 9.093 8.210 0.209 0.117 0.511 63 N N 2.096 120.875 118.700 0.131 0.000 2.352 63 N HA 0.239 5.015 4.740 0.060 0.000 0.291 63 N C -2.191 173.385 175.510 0.110 0.000 1.040 63 N CA -0.358 52.745 53.050 0.088 0.000 0.864 63 N CB 4.245 42.766 38.487 0.057 0.000 1.440 63 N HN 0.849 9.193 8.380 0.137 0.117 0.483 64 S N 3.107 118.867 115.700 0.099 0.000 2.426 64 S HA 0.521 5.299 4.470 0.126 -0.232 0.236 64 S C 0.187 174.828 174.600 0.068 0.000 1.368 64 S CA -1.520 56.755 58.200 0.126 0.000 1.154 64 S CB 0.051 63.404 63.200 0.254 0.000 1.037 64 S HN 0.570 8.908 8.310 0.046 0.000 0.481 65 S N 5.877 121.607 115.700 0.050 0.000 2.561 65 S HA -0.001 4.482 4.470 0.022 0.000 0.225 65 S C 0.442 175.062 174.600 0.033 0.000 0.977 65 S CA 0.730 58.948 58.200 0.030 0.000 0.926 65 S CB 0.181 63.394 63.200 0.021 0.000 0.769 65 S HN -0.004 8.338 8.310 0.053 0.000 0.533 66 G N 2.050 110.878 108.800 0.047 0.000 2.892 66 G HA2 -0.184 3.808 3.960 0.053 0.000 0.686 66 G HA3 -0.184 3.801 3.960 0.041 0.000 0.686 66 G C -2.531 172.387 174.900 0.029 0.000 1.244 66 G CA -0.633 44.493 45.100 0.043 0.000 0.947 66 G HN -0.801 7.455 8.290 0.061 0.071 0.584 67 P HA -0.120 4.309 4.420 0.015 0.000 0.257 67 P C -1.760 175.549 177.300 0.014 0.000 1.359 67 P CA 0.261 63.372 63.100 0.018 0.000 1.239 67 P CB -0.775 30.935 31.700 0.018 0.000 1.549 68 R N 0.967 121.474 120.500 0.012 0.000 2.510 68 R HA 0.447 4.888 4.340 0.008 -0.096 0.287 68 R C -2.524 173.780 176.300 0.006 0.000 1.084 68 R CA -3.539 52.566 56.100 0.009 0.000 0.934 68 R CB 0.323 30.630 30.300 0.010 0.000 1.201 68 R HN -0.478 7.789 8.270 0.011 0.011 0.431 69 P HA 0.085 4.505 4.420 -0.000 0.000 0.278 69 P C -1.821 175.480 177.300 0.001 0.000 1.270 69 P CA -1.029 62.072 63.100 0.001 0.000 0.800 69 P CB -0.521 31.180 31.700 0.001 0.000 1.142 70 P HA 0.010 4.430 4.420 0.000 0.000 0.280 70 P C -1.062 176.238 177.300 0.001 0.000 1.386 70 P CA 0.232 63.332 63.100 0.000 0.000 0.899 70 P CB -1.080 30.619 31.700 -0.001 0.000 1.098 71 V N 0.486 120.401 119.914 0.001 0.000 0.387 71 V HA -0.195 3.926 4.120 0.001 0.000 0.092 71 V C -2.086 174.009 176.094 0.002 0.000 2.735 71 V CA 0.961 63.262 62.300 0.001 0.000 3.811 71 V CB -2.294 29.530 31.823 0.001 0.000 1.065 71 V HN 0.143 8.334 8.190 0.002 0.000 1.122 72 P HA 0.477 4.899 4.420 0.003 0.000 0.283 72 P C -2.077 175.226 177.300 0.004 0.000 1.278 72 P CA -1.474 61.627 63.100 0.003 0.000 0.834 72 P CB 0.211 31.912 31.700 0.002 0.000 1.150 73 P HA -0.009 4.416 4.420 0.007 0.000 0.216 73 P C -1.307 175.997 177.300 0.007 0.000 1.156 73 P CA 1.060 64.164 63.100 0.006 0.000 0.855 73 P CB 0.591 32.294 31.700 0.006 0.000 0.786 74 S N -5.448 110.255 115.700 0.006 0.000 3.108 74 S HA 0.196 4.669 4.470 0.005 0.000 0.130 74 S C -2.341 172.262 174.600 0.005 0.000 0.834 74 S CA -0.573 57.630 58.200 0.006 0.000 0.840 74 S CB -0.097 63.107 63.200 0.007 0.000 1.527 74 S HN -0.473 7.840 8.310 0.005 0.000 0.610 75 P HA -0.019 4.402 4.420 0.003 0.000 0.217 75 P C -0.826 176.475 177.300 0.003 0.000 1.154 75 P CA 0.633 63.735 63.100 0.003 0.000 0.841 75 P CB 0.468 32.169 31.700 0.002 0.000 0.788 76 A N -0.668 122.153 122.820 0.002 0.000 2.399 76 A HA 0.251 4.572 4.320 0.002 0.000 0.327 76 A C -1.120 176.465 177.584 0.002 0.000 1.367 76 A CA -0.482 51.556 52.037 0.002 0.000 0.842 76 A CB -0.074 18.927 19.000 0.001 0.000 1.142 76 A HN -0.299 7.852 8.150 0.002 0.000 0.495 77 Q N 1.775 121.576 119.800 0.003 0.000 2.172 77 Q HA 0.201 4.543 4.340 0.003 0.000 0.159 77 Q C -1.766 174.236 176.000 0.004 0.000 0.653 77 Q CA 0.958 56.763 55.803 0.003 0.000 0.896 77 Q CB -0.810 27.930 28.738 0.005 0.000 1.149 77 Q HN 0.252 8.524 8.270 0.003 0.000 0.333 78 P HA -0.067 4.355 4.420 0.004 0.000 0.214 78 P C -0.653 176.649 177.300 0.003 0.000 1.163 78 P CA 3.877 66.980 63.100 0.004 0.000 0.889 78 P CB -1.885 29.817 31.700 0.004 0.000 0.790 79 P HA -0.139 4.282 4.420 0.002 0.000 0.216 79 P C -0.704 176.598 177.300 0.002 0.000 1.167 79 P CA 2.806 65.907 63.100 0.002 0.000 0.914 79 P CB -2.178 29.523 31.700 0.002 0.000 0.793 80 P HA -0.063 4.357 4.420 0.001 0.000 0.225 80 P C 0.908 178.209 177.300 0.002 0.000 1.148 80 P CA 0.344 63.445 63.100 0.002 0.000 0.779 80 P CB -0.011 31.690 31.700 0.001 0.000 0.780 81 G N -1.348 107.454 108.800 0.003 0.000 2.990 81 G HA2 -0.412 3.611 3.960 0.003 0.000 0.225 81 G HA3 -0.412 3.550 3.960 0.003 0.000 0.225 81 G C -0.616 174.286 174.900 0.004 0.000 1.304 81 G CA 0.923 46.025 45.100 0.003 0.000 0.816 81 G HN 0.140 8.264 8.290 0.003 0.168 0.528 82 V N 1.998 121.915 119.914 0.004 0.000 2.302 82 V HA 0.062 4.185 4.120 0.006 0.000 0.244 82 V C -1.083 175.014 176.094 0.005 0.000 1.160 82 V CA -0.179 62.124 62.300 0.005 0.000 1.127 82 V CB -0.974 30.852 31.823 0.005 0.000 1.253 82 V HN -0.438 7.661 8.190 0.003 0.093 0.496 83 S N 7.830 123.534 115.700 0.006 0.000 2.532 83 S HA 0.420 4.970 4.470 0.005 -0.077 0.318 83 S C -1.247 173.359 174.600 0.009 0.000 1.083 83 S CA -3.299 54.905 58.200 0.006 0.000 1.131 83 S CB 0.912 64.116 63.200 0.007 0.000 0.973 83 S HN -0.337 7.977 8.310 0.007 0.000 0.468 84 P HA 0.146 4.575 4.420 0.016 0.000 0.273 84 P C -1.190 176.118 177.300 0.014 0.000 1.250 84 P CA -0.463 62.644 63.100 0.011 0.000 0.793 84 P CB 1.599 33.302 31.700 0.005 0.000 1.011 85 S N -0.418 115.294 115.700 0.020 0.000 2.718 85 S HA 0.087 4.571 4.470 0.023 0.000 0.292 85 S C -0.953 173.662 174.600 0.025 0.000 1.125 85 S CA -1.025 57.190 58.200 0.026 0.000 1.013 85 S CB 1.645 64.865 63.200 0.033 0.000 1.192 85 S HN -0.186 8.378 8.310 0.024 -0.240 0.535 86 R N -0.030 120.492 120.500 0.035 0.000 2.412 86 R HA 0.221 4.573 4.340 0.019 0.000 0.304 86 R C -2.340 173.995 176.300 0.059 0.000 1.066 86 R CA -1.465 54.656 56.100 0.034 0.000 0.923 86 R CB -0.452 29.865 30.300 0.029 0.000 1.156 86 R HN 0.324 8.620 8.270 0.043 0.000 0.513 87 L N 4.804 126.064 121.223 0.062 0.000 2.528 87 L HA 0.816 5.463 4.340 0.111 -0.240 0.267 87 L C -2.663 174.261 176.870 0.091 0.000 0.961 87 L CA -0.382 54.515 54.840 0.095 0.000 0.866 87 L CB 3.805 45.928 42.059 0.106 0.000 1.248 87 L HN 0.240 8.495 8.230 0.042 0.000 0.404 88 R N 5.681 126.237 120.500 0.094 0.000 2.575 88 R HA 0.439 4.831 4.340 0.087 0.000 0.293 88 R C -1.950 174.416 176.300 0.110 0.000 0.983 88 R CA -1.041 55.108 56.100 0.082 0.000 0.887 88 R CB 3.804 34.127 30.300 0.038 0.000 1.184 88 R HN 0.809 9.031 8.270 0.103 0.109 0.445 89 I N 5.246 125.889 120.570 0.122 0.000 4.785 89 I HA 0.125 4.380 4.170 0.140 0.000 0.227 89 I C -0.223 175.928 176.117 0.056 0.000 0.968 89 I CA 1.117 62.484 61.300 0.113 0.000 1.561 89 I CB 1.280 39.354 38.000 0.122 0.000 1.418 89 I HN -0.331 7.960 8.210 0.134 0.000 0.449 90 G N -1.803 106.987 108.800 -0.016 0.000 2.624 90 G HA2 -0.172 3.779 3.960 -0.015 0.000 0.216 90 G HA3 -0.172 3.704 3.960 -0.139 0.000 0.216 90 G C -1.105 173.792 174.900 -0.005 0.000 1.274 90 G CA 1.896 46.967 45.100 -0.049 0.000 0.856 90 G HN 0.416 8.683 8.290 -0.038 0.000 0.555 91 D N -0.730 119.671 120.400 0.001 0.000 2.461 91 D HA 0.041 4.686 4.640 0.008 0.000 0.266 91 D C -0.801 175.508 176.300 0.014 0.000 1.085 91 D CA 0.655 54.663 54.000 0.013 0.000 0.887 91 D CB 1.761 42.572 40.800 0.018 0.000 1.309 91 D HN 0.052 8.418 8.370 -0.007 0.000 0.498 92 Q N -0.810 119.027 119.800 0.063 0.000 2.256 92 Q HA 0.225 4.510 4.340 -0.092 0.000 0.254 92 Q C -1.091 174.910 176.000 0.001 0.000 0.916 92 Q CA -0.509 55.305 55.803 0.018 0.000 0.932 92 Q CB 1.007 29.846 28.738 0.168 0.000 1.207 92 Q HN 0.024 8.358 8.270 0.107 0.000 0.426 93 E N 1.769 121.828 120.200 -0.234 0.000 2.299 93 E HA 0.320 4.749 4.350 0.065 -0.040 0.265 93 E C -1.979 174.310 176.600 -0.519 0.000 0.911 93 E CA -0.924 55.379 56.400 -0.161 0.000 0.789 93 E CB 2.493 32.128 29.700 -0.109 0.000 1.246 93 E HN 0.074 8.207 8.360 -0.378 0.000 0.427 94 F N -0.637 119.249 119.950 -0.107 0.000 2.110 94 F HA 0.203 4.655 4.527 -0.126 0.000 0.213 94 F C 0.141 175.904 175.800 -0.061 0.000 1.314 94 F CA 0.668 58.596 58.000 -0.120 0.000 1.173 94 F CB 1.375 40.264 39.000 -0.184 0.000 2.044 94 F HN 0.163 8.547 8.300 0.139 0.000 0.118 95 D N -2.331 118.187 120.400 0.196 0.000 3.012 95 D HA 0.064 4.746 4.640 0.071 0.000 0.284 95 D C -0.269 176.076 176.300 0.074 0.000 1.259 95 D CA 1.164 55.220 54.000 0.093 0.000 1.036 95 D CB 1.398 42.238 40.800 0.067 0.000 1.167 95 D HN 0.008 8.533 8.370 0.259 0.000 0.429 96 S N -3.807 111.927 115.700 0.057 0.000 2.921 96 S HA 0.187 4.687 4.470 0.050 0.000 0.315 96 S C 0.142 174.771 174.600 0.048 0.000 1.087 96 S CA -1.443 56.781 58.200 0.040 0.000 0.877 96 S CB 2.522 65.728 63.200 0.009 0.000 1.340 96 S HN -0.568 7.771 8.310 0.048 0.000 0.622 97 L N 1.681 122.932 121.223 0.047 0.000 1.993 97 L HA 0.062 4.475 4.340 0.123 0.000 0.206 97 L C -0.057 176.783 176.870 -0.050 0.000 1.074 97 L CA 4.287 59.180 54.840 0.088 0.000 0.746 97 L CB -2.714 39.512 42.059 0.279 0.000 0.896 97 L HN 0.403 8.652 8.230 0.033 0.000 0.435 98 P HA -0.228 3.872 4.420 -0.533 0.000 0.219 98 P C 0.671 177.849 177.300 -0.204 0.000 1.144 98 P CA 2.538 65.420 63.100 -0.362 0.000 0.806 98 P CB -1.024 30.459 31.700 -0.362 0.000 0.771 99 A N -4.551 118.186 122.820 -0.139 0.000 1.968 99 A HA -0.118 4.097 4.320 -0.174 0.000 0.217 99 A C 1.103 178.527 177.584 -0.267 0.000 1.169 99 A CA 2.298 54.231 52.037 -0.173 0.000 0.638 99 A CB -0.294 18.637 19.000 -0.114 0.000 0.812 99 A HN 0.054 8.088 8.150 -0.098 0.058 0.446 100 L N -7.425 113.709 121.223 -0.149 0.000 2.585 100 L HA 0.251 4.381 4.340 -0.351 0.000 0.226 100 L C 1.150 178.076 176.870 0.094 0.000 1.113 100 L CA 1.459 56.248 54.840 -0.086 0.000 0.876 100 L CB -0.127 42.018 42.059 0.143 0.000 1.072 100 L HN -0.120 7.930 8.230 -0.063 0.142 0.468 101 L N -1.335 119.907 121.223 0.032 0.000 2.131 101 L HA -0.297 4.183 4.340 0.233 0.000 0.206 101 L C 0.998 177.845 176.870 -0.039 0.000 1.087 101 L CA 2.913 57.801 54.840 0.080 0.000 0.767 101 L CB -0.565 41.518 42.059 0.040 0.000 0.917 101 L HN -0.424 7.590 8.230 -0.057 0.182 0.441 102 E N -3.322 116.811 120.200 -0.111 0.000 2.442 102 E HA -0.214 4.044 4.350 -0.153 0.000 0.195 102 E C 2.448 178.928 176.600 -0.200 0.000 1.030 102 E CA 1.445 57.753 56.400 -0.154 0.000 0.869 102 E CB -0.053 29.547 29.700 -0.166 0.000 0.857 102 E HN -0.873 7.412 8.360 -0.126 0.000 0.505 103 F N -0.213 119.485 119.950 -0.420 0.000 2.456 103 F HA -0.162 4.007 4.527 -0.596 0.000 0.298 103 F C -0.143 175.236 175.800 -0.702 0.000 1.104 103 F CA 2.153 59.742 58.000 -0.685 0.000 1.435 103 F CB 0.621 39.015 39.000 -1.010 0.000 1.078 103 F HN -0.390 7.678 8.300 -0.101 0.172 0.546 104 Y N -6.409 113.921 120.300 0.049 0.000 2.660 104 Y HA 0.197 4.836 4.550 0.148 0.000 0.254 104 Y C 0.271 176.190 175.900 0.031 0.000 1.176 104 Y CA -1.581 56.570 58.100 0.085 0.000 1.195 104 Y CB -0.785 37.736 38.460 0.103 0.000 1.190 104 Y HN -0.680 7.574 8.280 0.009 0.031 0.535 105 K N 1.213 121.642 120.400 0.048 0.000 2.280 105 K HA -0.196 4.186 4.320 -0.048 -0.090 0.202 105 K C -0.864 175.762 176.600 0.044 0.000 1.047 105 K CA 2.774 59.052 56.287 -0.015 0.000 0.942 105 K CB 0.219 32.666 32.500 -0.089 0.000 0.739 105 K HN -0.462 7.598 8.250 -0.038 0.167 0.457 106 I N -11.578 109.059 120.570 0.112 0.000 3.186 106 I HA 0.237 4.491 4.170 0.141 0.000 0.317 106 I C -1.586 174.639 176.117 0.179 0.000 1.476 106 I CA -0.790 60.588 61.300 0.130 0.000 0.868 106 I CB -1.688 36.347 38.000 0.058 0.000 1.732 106 I HN -0.555 7.685 8.210 0.129 0.046 0.659 107 H N 0.396 119.552 119.070 0.144 0.000 3.170 107 H HA 0.100 4.721 4.556 0.107 0.000 0.264 107 H C -1.149 174.392 175.328 0.355 0.000 1.113 107 H CA 0.060 56.216 56.048 0.180 0.000 1.194 107 H CB 2.305 32.133 29.762 0.111 0.000 1.553 107 H HN -0.861 7.523 8.280 0.358 0.111 0.538 108 Y N -1.146 119.285 120.300 0.219 0.000 2.758 108 Y HA -0.269 4.425 4.550 0.105 -0.082 0.065 108 Y C 0.118 176.097 175.900 0.132 0.000 1.918 108 Y CA 0.308 58.490 58.100 0.137 0.000 1.209 108 Y CB -1.461 37.044 38.460 0.074 0.000 1.864 108 Y HN -0.347 8.199 8.280 0.444 0.000 0.294 109 L N -1.654 119.556 121.223 -0.021 0.000 2.095 109 L HA -0.110 4.055 4.340 -0.292 0.000 0.204 109 L C 0.033 176.751 176.870 -0.252 0.000 1.080 109 L CA 1.907 56.520 54.840 -0.378 0.000 0.759 109 L CB 0.217 41.689 42.059 -0.978 0.000 0.914 109 L HN 0.035 8.220 8.230 -0.076 0.000 0.439 110 D N -7.029 113.253 120.400 -0.195 0.000 2.401 110 D HA 0.020 4.702 4.640 -0.046 -0.070 0.269 110 D C -0.910 175.382 176.300 -0.014 0.000 1.117 110 D CA -0.062 53.889 54.000 -0.081 0.000 0.829 110 D CB 2.103 42.868 40.800 -0.059 0.000 1.350 110 D HN -0.474 7.766 8.370 -0.217 0.000 0.529 111 T N -2.459 111.978 114.554 -0.195 0.000 3.820 111 T HA -0.062 3.994 4.350 -0.490 0.000 0.154 111 T C -1.997 172.407 174.700 -0.494 0.000 0.487 111 T CA 0.483 62.394 62.100 -0.317 0.000 0.897 111 T CB -0.100 68.778 68.868 0.016 0.000 1.411 111 T HN -0.640 7.413 8.240 -0.312 0.000 0.529 112 T N 0.461 114.437 114.554 -0.963 0.000 4.070 112 T HA -0.020 4.118 4.350 -0.353 0.000 0.285 112 T C -1.232 173.244 174.700 -0.373 0.000 0.938 112 T CA 0.003 61.822 62.100 -0.469 0.000 0.668 112 T CB 1.072 69.841 68.868 -0.165 0.000 1.121 112 T HN -0.235 6.968 8.240 -1.727 0.000 0.853 113 T N -2.091 112.191 114.554 -0.453 0.000 0.541 113 T HA -0.470 3.972 4.350 0.019 -0.080 0.774 113 T C -1.589 173.102 174.700 -0.015 0.000 0.992 113 T CA 0.549 62.602 62.100 -0.080 0.000 4.077 113 T CB -0.144 68.775 68.868 0.085 0.000 2.303 113 T HN -0.424 7.395 8.240 -0.702 0.000 0.398 114 L N 2.134 123.374 121.223 0.027 0.000 2.326 114 L HA 0.262 4.581 4.340 -0.034 0.000 0.278 114 L C -0.685 176.069 176.870 -0.193 0.000 1.092 114 L CA -0.881 53.917 54.840 -0.069 0.000 0.810 114 L CB 0.839 42.874 42.059 -0.041 0.000 1.153 114 L HN 0.561 8.731 8.230 0.088 0.112 0.439 115 I N 1.075 121.446 120.570 -0.331 0.000 3.869 115 I HA 0.173 4.227 4.170 -0.194 0.000 0.260 115 I C -0.663 175.155 176.117 -0.498 0.000 1.160 115 I CA -3.044 58.093 61.300 -0.272 0.000 1.248 115 I CB 2.069 40.030 38.000 -0.065 0.000 1.393 115 I HN 0.136 8.128 8.210 -0.363 0.000 0.473 116 E N 0.015 120.117 120.200 -0.164 0.000 2.349 116 E HA 0.194 4.507 4.350 -0.061 0.000 0.262 116 E C -1.810 175.006 176.600 0.360 0.000 1.088 116 E CA -2.448 53.953 56.400 0.002 0.000 0.899 116 E CB -0.527 29.192 29.700 0.031 0.000 1.044 116 E HN 0.065 8.385 8.360 -0.067 0.000 0.420 117 P HA -0.026 5.047 4.420 0.748 -0.204 0.268 117 P C -0.808 176.687 177.300 0.324 0.000 1.205 117 P CA -0.257 63.209 63.100 0.610 0.000 0.771 117 P CB 0.697 32.680 31.700 0.472 0.000 0.858 118 V N 3.223 123.290 119.914 0.256 0.000 2.323 118 V HA -0.260 3.992 4.120 0.221 0.000 0.244 118 V C -0.424 175.772 176.094 0.168 0.000 1.041 118 V CA 0.284 62.721 62.300 0.229 0.000 1.025 118 V CB 0.952 32.962 31.823 0.312 0.000 0.656 118 V HN 0.135 8.461 8.190 0.227 0.000 0.451 119 S N -4.307 111.399 115.700 0.010 0.000 3.381 119 S HA -0.453 3.776 4.470 -0.593 -0.115 0.636 119 S C 0.653 175.406 174.600 0.256 0.000 2.614 119 S CA 1.477 59.605 58.200 -0.119 0.000 2.810 119 S CB -0.584 62.606 63.200 -0.016 0.000 0.331 119 S HN -0.603 7.634 8.310 -0.121 0.000 1.788 120 R N 0.795 121.439 120.500 0.240 0.000 2.120 120 R HA -0.215 4.441 4.340 0.527 0.000 0.234 120 R C 1.866 178.299 176.300 0.222 0.000 1.123 120 R CA 2.631 58.932 56.100 0.335 0.000 0.975 120 R CB 0.074 30.508 30.300 0.224 0.000 0.866 120 R HN 0.547 8.874 8.270 0.096 0.000 0.446 121 S N -4.691 111.107 115.700 0.163 0.000 2.557 121 S HA -0.392 4.140 4.470 0.104 0.000 0.240 121 S C -0.120 174.542 174.600 0.104 0.000 1.210 121 S CA 2.581 60.857 58.200 0.127 0.000 2.526 121 S CB -1.174 62.113 63.200 0.144 0.000 1.373 121 S HN 0.131 8.509 8.310 0.143 0.018 0.497 122 R N 1.626 122.194 120.500 0.113 0.000 3.912 122 R HA 0.017 4.409 4.340 0.087 0.000 0.091 122 R C -0.888 175.478 176.300 0.110 0.000 0.508 122 R CA 0.964 57.123 56.100 0.098 0.000 0.423 122 R CB 0.043 30.395 30.300 0.087 0.000 0.532 122 R HN 0.151 8.438 8.270 0.131 0.061 0.334 123 Q N -0.751 119.127 119.800 0.130 0.000 1.914 123 Q HA 0.078 4.505 4.340 0.144 0.000 0.153 123 Q C -0.447 175.690 176.000 0.228 0.000 0.517 123 Q CA -0.177 55.732 55.803 0.177 0.000 0.790 123 Q CB 0.982 29.849 28.738 0.215 0.000 0.992 123 Q HN 0.144 8.488 8.270 0.122 0.000 0.318 124 G N 1.838 110.759 108.800 0.201 0.000 3.341 124 G HA2 -0.194 3.832 3.960 0.111 0.000 0.374 124 G HA3 -0.194 3.860 3.960 0.156 0.000 0.374 124 G C 0.455 175.505 174.900 0.250 0.000 0.885 124 G CA 0.010 45.214 45.100 0.173 0.000 0.740 124 G HN -0.110 8.279 8.290 0.165 0.000 0.390 125 S N 5.954 121.681 115.700 0.044 0.000 2.472 125 S HA -0.235 3.798 4.470 -0.728 0.000 0.213 125 S C 0.571 175.163 174.600 -0.013 0.000 1.064 125 S CA 1.799 59.844 58.200 -0.258 0.000 1.144 125 S CB 0.380 63.356 63.200 -0.374 0.000 1.085 125 S HN 0.380 8.692 8.310 0.003 0.000 0.405 126 G N -0.104 108.674 108.800 -0.036 0.000 2.148 126 G HA2 -0.150 3.827 3.960 0.028 0.000 0.203 126 G HA3 -0.150 3.874 3.960 0.106 0.000 0.203 126 G C -0.051 174.851 174.900 0.003 0.000 0.993 126 G CA -0.218 44.902 45.100 0.034 0.000 0.661 126 G HN 0.284 8.524 8.290 -0.082 0.000 0.518 127 V N -4.482 115.382 119.914 -0.083 0.000 3.923 127 V HA -0.109 3.986 4.120 -0.043 0.000 0.292 127 V C 0.294 176.368 176.094 -0.034 0.000 1.070 127 V CA -0.644 61.611 62.300 -0.076 0.000 1.103 127 V CB 0.104 31.843 31.823 -0.140 0.000 1.175 127 V HN -0.654 7.443 8.190 -0.154 0.000 0.471 128 I N -3.479 117.073 120.570 -0.030 0.000 3.210 128 I HA 0.128 4.292 4.170 -0.010 0.000 0.316 128 I C -1.070 175.032 176.117 -0.026 0.000 1.067 128 I CA -0.678 60.611 61.300 -0.018 0.000 1.047 128 I CB 1.053 39.046 38.000 -0.012 0.000 1.352 128 I HN -0.175 8.013 8.210 -0.038 0.000 0.565 129 L N -4.910 116.301 121.223 -0.019 0.000 2.250 129 L HA 0.274 4.642 4.340 -0.026 -0.044 0.252 129 L C -0.451 176.408 176.870 -0.018 0.000 1.054 129 L CA -1.494 53.334 54.840 -0.020 0.000 0.856 129 L CB 1.765 43.815 42.059 -0.015 0.000 1.443 129 L HN -0.225 7.997 8.230 -0.013 0.000 0.427 130 R N 0.001 120.490 120.500 -0.018 0.000 2.730 130 R HA -0.297 4.033 4.340 -0.018 0.000 0.290 130 R C -1.401 174.887 176.300 -0.020 0.000 0.964 130 R CA 1.027 57.117 56.100 -0.017 0.000 0.782 130 R CB -2.193 28.099 30.300 -0.012 0.000 2.060 130 R HN 0.369 8.628 8.270 -0.019 0.000 0.503 131 Q N -0.408 119.377 119.800 -0.025 0.000 2.736 131 Q HA 0.075 4.400 4.340 -0.026 0.000 0.273 131 Q C -2.080 173.899 176.000 -0.035 0.000 0.948 131 Q CA -1.200 54.586 55.803 -0.029 0.000 0.854 131 Q CB 1.864 30.583 28.738 -0.031 0.000 1.569 131 Q HN -0.107 8.147 8.270 -0.026 0.000 0.405 132 E N 0.226 120.404 120.200 -0.037 0.000 2.409 132 E HA -0.065 4.259 4.350 -0.044 0.000 0.257 132 E C -0.710 175.857 176.600 -0.054 0.000 1.150 132 E CA 0.475 56.848 56.400 -0.045 0.000 0.942 132 E CB 0.905 30.578 29.700 -0.044 0.000 0.979 132 E HN 0.335 8.675 8.360 -0.034 0.000 0.447 133 E N -2.974 117.184 120.200 -0.071 0.000 2.458 133 E HA 0.183 4.490 4.350 -0.072 0.000 0.278 133 E C -1.460 175.045 176.600 -0.157 0.000 1.004 133 E CA -1.113 55.234 56.400 -0.088 0.000 0.823 133 E CB 3.175 32.834 29.700 -0.069 0.000 1.396 133 E HN 0.022 8.338 8.360 -0.073 0.000 0.463 134 A N -1.460 121.213 122.820 -0.244 0.000 2.586 134 A HA 0.321 4.452 4.320 -0.316 0.000 0.291 134 A C -3.068 174.167 177.584 -0.581 0.000 1.062 134 A CA -0.168 51.591 52.037 -0.464 0.000 0.666 134 A CB 2.804 21.387 19.000 -0.696 0.000 1.281 134 A HN -0.056 7.991 8.150 -0.173 0.000 0.421 135 E N 0.899 120.798 120.200 -0.502 0.000 2.216 135 E HA 0.145 4.444 4.350 -0.084 0.000 0.279 135 E C -1.526 174.961 176.600 -0.188 0.000 0.997 135 E CA -0.927 55.331 56.400 -0.237 0.000 0.817 135 E CB 1.935 31.580 29.700 -0.091 0.000 1.096 135 E HN 0.347 8.449 8.360 -0.431 0.000 0.393 136 Y N 1.031 121.357 120.300 0.043 0.000 1.950 136 Y HA 0.283 4.997 4.550 0.069 -0.123 0.310 136 Y C -2.710 173.270 175.900 0.133 0.000 1.174 136 Y CA -1.993 56.147 58.100 0.066 0.000 1.758 136 Y CB -1.367 37.106 38.460 0.021 0.000 1.271 136 Y HN -0.245 8.274 8.280 0.400 0.000 0.376 137 V N -4.773 115.340 119.914 0.332 0.000 2.946 137 V HA 0.422 4.961 4.120 0.210 -0.293 0.258 137 V C -2.732 173.433 176.094 0.118 0.000 1.726 137 V CA -0.365 62.062 62.300 0.212 0.000 0.940 137 V CB 3.938 35.865 31.823 0.174 0.000 1.309 137 V HN -0.419 7.976 8.190 0.342 0.000 0.458 138 R N 5.305 125.813 120.500 0.014 0.000 2.407 138 R HA 0.473 4.869 4.340 -0.160 -0.153 0.298 138 R C -0.010 176.187 176.300 -0.173 0.000 1.166 138 R CA -1.980 54.026 56.100 -0.157 0.000 1.006 138 R CB 1.355 31.416 30.300 -0.399 0.000 1.145 138 R HN -0.214 8.081 8.270 0.042 0.000 0.538 139 A N 6.281 128.922 122.820 -0.298 0.000 2.645 139 A HA -0.193 3.990 4.320 -0.228 0.000 0.233 139 A C -0.907 176.673 177.584 -0.008 0.000 1.100 139 A CA 1.308 53.171 52.037 -0.291 0.000 0.793 139 A CB 0.501 19.018 19.000 -0.806 0.000 1.028 139 A HN 1.036 8.854 8.150 -0.393 0.097 0.516 140 L N -3.771 117.581 121.223 0.215 0.000 3.510 140 L HA 0.256 4.593 4.340 -0.005 0.000 0.324 140 L C -1.598 175.310 176.870 0.063 0.000 1.307 140 L CA -0.321 54.587 54.840 0.113 0.000 1.011 140 L CB 0.178 42.292 42.059 0.091 0.000 1.422 140 L HN -0.067 8.418 8.230 0.424 0.000 0.617 141 F N -1.441 118.693 119.950 0.307 0.000 2.641 141 F HA 0.093 4.746 4.527 0.210 0.000 0.308 141 F C -1.047 174.935 175.800 0.304 0.000 1.105 141 F CA -0.790 57.393 58.000 0.304 0.000 0.964 141 F CB 4.366 43.623 39.000 0.430 0.000 1.294 141 F HN -0.833 7.841 8.300 0.623 0.000 0.442 142 D N 2.271 122.898 120.400 0.378 0.000 2.551 142 D HA -0.098 4.687 4.640 0.242 0.000 0.223 142 D C -1.627 174.815 176.300 0.237 0.000 1.144 142 D CA -0.374 53.777 54.000 0.251 0.000 1.025 142 D CB -1.623 39.265 40.800 0.146 0.000 1.085 142 D HN 0.159 8.732 8.370 0.338 0.000 0.506 143 F N 2.944 122.893 119.950 -0.002 0.000 2.368 143 F HA -0.060 4.432 4.527 -0.059 0.000 0.308 143 F C -1.186 174.543 175.800 -0.118 0.000 1.198 143 F CA -0.001 57.921 58.000 -0.130 0.000 1.130 143 F CB 1.907 40.676 39.000 -0.385 0.000 1.300 143 F HN -0.619 7.798 8.300 0.255 0.035 0.537 144 N N -0.180 118.171 118.700 -0.580 0.000 2.474 144 N HA 0.020 4.669 4.740 -0.153 0.000 0.224 144 N C -1.043 174.356 175.510 -0.184 0.000 1.092 144 N CA 0.454 53.309 53.050 -0.324 0.000 0.844 144 N CB 2.413 40.685 38.487 -0.358 0.000 1.381 144 N HN 0.252 7.643 8.380 -1.647 0.000 0.458 145 G N -1.285 107.376 108.800 -0.232 0.000 2.617 145 G HA2 -0.166 4.045 3.960 0.418 0.000 0.686 145 G HA3 -0.166 3.844 3.960 0.083 0.000 0.686 145 G C -1.445 173.476 174.900 0.035 0.000 1.214 145 G CA -0.541 44.627 45.100 0.113 0.000 0.796 145 G HN -0.613 7.109 8.290 -0.947 0.000 0.654 146 N N -0.318 118.460 118.700 0.131 0.000 2.402 146 N HA -0.055 4.707 4.740 0.037 0.000 0.174 146 N C -0.603 174.941 175.510 0.057 0.000 1.027 146 N CA 1.016 54.116 53.050 0.084 0.000 0.891 146 N CB 0.796 39.360 38.487 0.128 0.000 1.016 146 N HN 0.457 8.954 8.380 0.196 0.000 0.439 147 D N -4.945 115.494 120.400 0.065 0.000 2.921 147 D HA 0.133 4.795 4.640 0.036 0.000 0.329 147 D C -1.145 175.182 176.300 0.044 0.000 1.293 147 D CA -0.937 53.092 54.000 0.048 0.000 0.964 147 D CB 1.607 42.439 40.800 0.053 0.000 1.435 147 D HN -0.714 7.707 8.370 0.084 0.000 0.548 148 E N -2.126 118.096 120.200 0.036 0.000 2.502 148 E HA -0.178 4.192 4.350 0.033 0.000 0.194 148 E C -0.248 176.373 176.600 0.035 0.000 1.062 148 E CA 1.588 58.008 56.400 0.033 0.000 0.867 148 E CB 0.094 29.809 29.700 0.026 0.000 0.888 148 E HN 0.130 8.511 8.360 0.034 0.000 0.510 149 E N -2.704 117.519 120.200 0.038 0.000 2.290 149 E HA -0.065 4.300 4.350 0.026 0.000 0.199 149 E C -0.070 176.550 176.600 0.033 0.000 0.912 149 E CA 0.021 56.440 56.400 0.031 0.000 0.924 149 E CB 0.355 30.070 29.700 0.025 0.000 0.901 149 E HN -0.249 8.054 8.360 0.044 0.083 0.487 150 D N -0.215 120.216 120.400 0.052 0.000 2.354 150 D HA -0.201 4.461 4.640 0.036 0.000 0.238 150 D C -0.897 175.441 176.300 0.063 0.000 1.250 150 D CA 1.257 55.294 54.000 0.061 0.000 0.911 150 D CB 0.638 41.503 40.800 0.110 0.000 1.163 150 D HN -0.242 8.164 8.370 0.060 0.000 0.456 151 L N 0.770 122.028 121.223 0.059 0.000 2.276 151 L HA 0.550 4.954 4.340 0.106 0.000 0.286 151 L C -1.561 175.294 176.870 -0.025 0.000 1.024 151 L CA -3.507 51.389 54.840 0.092 0.000 0.826 151 L CB 1.377 43.539 42.059 0.172 0.000 1.211 151 L HN -0.350 7.906 8.230 0.044 0.000 0.422 152 P HA 0.083 4.474 4.420 -0.048 0.000 0.209 152 P C -1.008 175.869 177.300 -0.705 0.000 1.185 152 P CA 0.035 63.033 63.100 -0.170 0.000 0.902 152 P CB 0.582 32.306 31.700 0.040 0.000 0.750 153 F N -8.073 111.966 119.950 0.149 0.000 2.071 153 F HA -0.483 4.102 4.527 0.097 0.000 0.295 153 F C -2.400 173.489 175.800 0.149 0.000 0.388 153 F CA -0.339 57.733 58.000 0.120 0.000 0.855 153 F CB -1.249 37.809 39.000 0.096 0.000 3.770 153 F HN -0.369 7.989 8.300 0.096 0.000 0.309 154 K N -0.066 120.633 120.400 0.499 0.000 2.303 154 K HA 0.290 4.905 4.320 0.328 -0.099 0.233 154 K C -1.017 175.826 176.600 0.405 0.000 1.046 154 K CA -2.365 54.142 56.287 0.365 0.000 0.895 154 K CB 3.224 35.839 32.500 0.192 0.000 1.220 154 K HN -0.392 8.309 8.250 0.436 -0.189 0.470 155 K N -0.960 119.586 120.400 0.244 0.000 2.451 155 K HA -0.338 4.163 4.320 0.197 -0.062 0.280 155 K C 0.510 177.142 176.600 0.053 0.000 1.020 155 K CA 1.026 57.395 56.287 0.136 0.000 1.008 155 K CB -0.940 31.570 32.500 0.017 0.000 0.917 155 K HN 0.017 8.383 8.250 0.193 0.000 0.478 156 G N 2.968 111.761 108.800 -0.012 0.000 2.325 156 G HA2 -0.485 3.398 3.960 -0.128 0.000 0.248 156 G HA3 -0.485 3.441 3.960 -0.057 0.000 0.248 156 G C -1.694 173.164 174.900 -0.069 0.000 1.108 156 G CA -0.027 45.030 45.100 -0.072 0.000 0.881 156 G HN 0.330 8.473 8.290 -0.015 0.138 0.494 157 D N -0.757 119.573 120.400 -0.117 0.000 2.787 157 D HA 0.309 4.915 4.640 -0.057 0.000 0.246 157 D C -1.460 174.719 176.300 -0.201 0.000 1.150 157 D CA -0.717 53.211 54.000 -0.120 0.000 0.864 157 D CB 3.578 44.346 40.800 -0.053 0.000 1.481 157 D HN -0.450 7.885 8.370 -0.166 -0.065 0.509 158 I N 3.410 123.927 120.570 -0.087 0.000 2.325 158 I HA 0.683 5.045 4.170 -0.050 -0.221 0.291 158 I C -0.625 175.481 176.117 -0.020 0.000 1.019 158 I CA -2.550 58.734 61.300 -0.026 0.000 1.302 158 I CB -0.579 37.474 38.000 0.088 0.000 1.401 158 I HN 0.315 8.501 8.210 -0.040 0.000 0.485 159 L N 4.369 125.576 121.223 -0.027 0.000 2.358 159 L HA 0.692 5.229 4.340 0.028 -0.180 0.268 159 L C -0.207 176.714 176.870 0.085 0.000 1.032 159 L CA -3.056 51.797 54.840 0.022 0.000 0.805 159 L CB 1.311 43.377 42.059 0.011 0.000 1.253 159 L HN -0.468 7.738 8.230 -0.040 0.000 0.452 160 R N 1.680 122.224 120.500 0.074 0.000 2.522 160 R HA 0.227 4.604 4.340 0.061 0.000 0.290 160 R C -0.643 175.706 176.300 0.082 0.000 1.216 160 R CA -2.651 53.484 56.100 0.057 0.000 1.250 160 R CB -1.088 29.219 30.300 0.011 0.000 1.143 160 R HN 0.109 8.375 8.270 0.066 0.043 0.553 161 I N 8.658 129.330 120.570 0.170 0.000 2.769 161 I HA -0.294 4.106 4.170 0.166 -0.130 0.285 161 I C 0.248 176.415 176.117 0.083 0.000 1.173 161 I CA 0.421 61.833 61.300 0.188 0.000 1.389 161 I CB -1.978 36.214 38.000 0.320 0.000 1.404 161 I HN 0.001 8.360 8.210 0.249 0.000 0.544 162 R N 7.122 127.642 120.500 0.033 0.000 2.119 162 R HA -0.152 4.174 4.340 -0.024 0.000 0.222 162 R C -0.475 175.804 176.300 -0.036 0.000 1.088 162 R CA 2.216 58.308 56.100 -0.014 0.000 0.984 162 R CB 0.697 30.981 30.300 -0.027 0.000 0.884 162 R HN 1.094 9.243 8.270 0.043 0.147 0.447 163 D N -5.658 114.715 120.400 -0.045 0.000 2.798 163 D HA -0.012 4.558 4.640 -0.116 0.000 0.265 163 D C -2.782 173.435 176.300 -0.138 0.000 1.223 163 D CA 0.248 54.191 54.000 -0.096 0.000 0.743 163 D CB 2.830 43.585 40.800 -0.076 0.000 1.276 163 D HN -0.654 7.707 8.370 -0.015 0.000 0.421 164 K N 1.473 121.737 120.400 -0.228 0.000 2.291 164 K HA 0.436 4.624 4.320 -0.220 0.000 0.242 164 K C -0.973 175.650 176.600 0.038 0.000 1.098 164 K CA -4.218 51.916 56.287 -0.255 0.000 1.036 164 K CB -1.253 30.919 32.500 -0.545 0.000 1.655 164 K HN 0.311 8.436 8.250 -0.209 0.000 0.432 165 P HA -0.101 4.377 4.420 0.096 0.000 0.218 165 P C -0.546 176.936 177.300 0.303 0.000 1.149 165 P CA 1.048 64.249 63.100 0.168 0.000 0.817 165 P CB 0.919 32.669 31.700 0.084 0.000 0.785 166 E N -4.588 115.889 120.200 0.462 0.000 2.343 166 E HA 0.294 4.804 4.350 0.267 0.000 0.257 166 E C -1.547 175.326 176.600 0.456 0.000 1.079 166 E CA -1.660 54.971 56.400 0.384 0.000 0.891 166 E CB 1.326 31.207 29.700 0.301 0.000 1.732 166 E HN -0.699 7.993 8.360 0.585 0.018 0.465 167 E N -1.417 118.930 120.200 0.245 0.000 2.452 167 E HA -0.066 4.470 4.350 0.310 0.000 0.197 167 E C 0.440 177.005 176.600 -0.058 0.000 1.022 167 E CA 1.463 57.953 56.400 0.149 0.000 0.890 167 E CB 0.313 30.063 29.700 0.084 0.000 0.918 167 E HN 0.222 8.673 8.360 0.152 0.000 0.496 168 Q N -1.668 118.112 119.800 -0.033 0.000 2.297 168 Q HA 0.044 4.304 4.340 -0.134 0.000 0.203 168 Q C -1.257 174.720 176.000 -0.040 0.000 0.931 168 Q CA 1.261 56.988 55.803 -0.126 0.000 0.885 168 Q CB 0.352 28.938 28.738 -0.252 0.000 0.991 168 Q HN 0.045 8.287 8.270 0.034 0.048 0.498 169 W N -3.531 117.711 121.300 -0.095 0.000 3.138 169 W HA 0.689 5.461 4.660 -0.148 -0.201 0.331 169 W C -2.745 173.903 176.519 0.214 0.000 1.166 169 W CA -3.214 54.103 57.345 -0.047 0.000 1.212 169 W CB 1.899 31.336 29.460 -0.038 0.000 1.399 169 W HN -0.574 7.856 8.180 0.416 0.000 0.514 170 W N 2.327 123.720 121.300 0.155 0.000 2.391 170 W HA 0.416 5.172 4.660 0.016 -0.086 0.312 170 W C -0.029 176.467 176.519 -0.038 0.000 1.003 170 W CA -2.791 54.577 57.345 0.037 0.000 1.375 170 W CB 0.793 30.290 29.460 0.061 0.000 1.253 170 W HN -0.295 8.082 8.180 0.329 0.000 0.416 171 N N 4.646 123.370 118.700 0.039 0.000 2.132 171 N HA -0.366 4.432 4.740 -0.127 -0.134 0.280 171 N C -1.240 174.301 175.510 0.052 0.000 1.318 171 N CA 1.719 54.737 53.050 -0.054 0.000 0.822 171 N CB 0.804 39.221 38.487 -0.116 0.000 1.058 171 N HN 0.162 8.527 8.380 -0.026 0.000 0.489 172 A N 3.845 126.702 122.820 0.062 0.000 2.609 172 A HA 0.524 5.054 4.320 0.085 -0.159 0.291 172 A C -3.020 174.612 177.584 0.081 0.000 1.096 172 A CA -1.290 50.805 52.037 0.097 0.000 0.684 172 A CB 4.503 23.597 19.000 0.155 0.000 1.282 172 A HN 1.025 9.090 8.150 0.031 0.104 0.412 173 E N -1.246 118.999 120.200 0.076 0.000 2.244 173 E HA 0.203 4.661 4.350 0.075 -0.063 0.266 173 E C -1.654 174.998 176.600 0.087 0.000 0.914 173 E CA -1.919 54.524 56.400 0.070 0.000 0.794 173 E CB 3.464 33.188 29.700 0.041 0.000 1.210 173 E HN -0.297 8.089 8.360 0.074 0.019 0.414 174 D N 2.764 123.224 120.400 0.100 0.000 2.277 174 D HA 0.298 5.000 4.640 0.103 0.000 0.250 174 D C 1.274 177.618 176.300 0.073 0.000 1.032 174 D CA -1.951 52.116 54.000 0.110 0.000 0.947 174 D CB 2.600 43.496 40.800 0.160 0.000 1.159 174 D HN 0.769 9.080 8.370 0.093 0.115 0.460 175 S N 2.661 118.399 115.700 0.064 0.000 2.571 175 S HA -0.230 4.265 4.470 0.041 0.000 0.245 175 S C 0.342 174.971 174.600 0.048 0.000 0.976 175 S CA 2.534 60.764 58.200 0.049 0.000 0.954 175 S CB -0.255 62.972 63.200 0.044 0.000 0.756 175 S HN 0.441 8.791 8.310 0.067 0.000 0.535 176 E N -0.237 119.998 120.200 0.057 0.000 2.216 176 E HA 0.004 4.380 4.350 0.043 0.000 0.192 176 E C 0.422 177.046 176.600 0.040 0.000 0.973 176 E CA 0.086 56.515 56.400 0.049 0.000 0.851 176 E CB 0.503 30.237 29.700 0.058 0.000 0.804 176 E HN -0.112 8.175 8.360 0.070 0.115 0.477 177 G N -1.125 107.700 108.800 0.042 0.000 2.624 177 G HA2 -0.219 3.758 3.960 0.028 0.000 0.190 177 G HA3 -0.219 3.758 3.960 0.028 0.000 0.190 177 G C -1.963 172.958 174.900 0.034 0.000 1.008 177 G CA -0.147 44.972 45.100 0.032 0.000 0.731 177 G HN -0.107 8.115 8.290 0.051 0.099 0.478 178 K N -1.740 118.687 120.400 0.044 0.000 2.126 178 K HA 0.114 4.454 4.320 0.034 0.000 0.257 178 K C -1.513 175.118 176.600 0.052 0.000 1.007 178 K CA -0.845 55.468 56.287 0.045 0.000 0.928 178 K CB 0.366 32.896 32.500 0.051 0.000 1.013 178 K HN -0.555 7.725 8.250 0.050 0.000 0.473 179 R N -0.563 119.963 120.500 0.042 0.000 2.885 179 R HA 0.303 4.744 4.340 0.064 -0.063 0.260 179 R C -1.780 174.539 176.300 0.032 0.000 1.107 179 R CA -1.584 54.542 56.100 0.042 0.000 0.978 179 R CB 3.568 33.881 30.300 0.022 0.000 1.227 179 R HN 0.080 8.370 8.270 0.034 0.000 0.473 180 G N -3.299 105.512 108.800 0.017 0.000 2.344 180 G HA2 0.037 3.968 3.960 -0.049 0.000 0.282 180 G HA3 0.037 4.096 3.960 0.007 -0.094 0.282 180 G C -2.772 172.096 174.900 -0.053 0.000 1.281 180 G CA 0.370 45.459 45.100 -0.018 0.000 0.877 180 G HN 0.401 8.704 8.290 0.023 0.000 0.494 181 M N 1.772 121.306 119.600 -0.109 0.000 2.113 181 M HA 0.455 4.819 4.480 -0.193 0.000 0.352 181 M C -0.201 176.121 176.300 0.037 0.000 1.170 181 M CA -1.244 53.951 55.300 -0.175 0.000 1.053 181 M CB -0.030 32.198 32.600 -0.620 0.000 1.601 181 M HN -0.138 8.244 8.290 -0.086 -0.143 0.459 182 I N -0.404 120.232 120.570 0.109 0.000 2.934 182 I HA 0.782 5.140 4.170 0.056 -0.154 0.315 182 I C -1.850 174.314 176.117 0.078 0.000 0.997 182 I CA -3.724 57.670 61.300 0.157 0.000 1.184 182 I CB 0.732 38.953 38.000 0.368 0.000 1.400 182 I HN 0.190 8.463 8.210 0.105 0.000 0.549 183 P HA 0.339 4.759 4.420 -0.212 -0.127 0.291 183 P C -0.103 177.179 177.300 -0.030 0.000 1.340 183 P CA -1.185 61.772 63.100 -0.237 0.000 0.799 183 P CB -0.123 31.062 31.700 -0.859 0.000 0.917 184 V N 4.868 124.705 119.914 -0.129 0.000 2.233 184 V HA -0.298 3.529 4.120 -0.489 0.000 0.247 184 V C -0.133 175.822 176.094 -0.231 0.000 1.050 184 V CA 5.813 67.870 62.300 -0.405 0.000 1.010 184 V CB -1.974 29.381 31.823 -0.780 0.000 0.637 184 V HN 1.020 9.027 8.190 -0.097 0.125 0.444 185 P HA -0.087 4.243 4.420 -0.150 0.000 0.244 185 P C -1.190 176.052 177.300 -0.097 0.000 1.211 185 P CA 1.496 64.547 63.100 -0.082 0.000 0.760 185 P CB -1.003 30.643 31.700 -0.090 0.000 0.961 186 Y N -5.152 115.071 120.300 -0.129 0.000 2.467 186 Y HA 0.096 4.659 4.550 0.022 0.000 0.259 186 Y C -1.011 175.018 175.900 0.215 0.000 1.084 186 Y CA 0.158 58.269 58.100 0.019 0.000 1.275 186 Y CB 2.146 40.539 38.460 -0.111 0.000 1.208 186 Y HN -0.516 7.683 8.280 0.260 0.236 0.511 187 V N -5.901 114.137 119.914 0.207 0.000 3.240 187 V HA 0.323 4.513 4.120 0.116 0.000 0.306 187 V C -2.492 173.601 176.094 -0.002 0.000 1.227 187 V CA -3.604 58.749 62.300 0.089 0.000 1.047 187 V CB 2.464 34.292 31.823 0.008 0.000 1.203 187 V HN -0.607 7.543 8.190 0.125 0.115 0.471 188 E N -4.813 115.389 120.200 0.003 0.000 2.425 188 E HA 0.311 4.640 4.350 -0.035 0.000 0.272 188 E C -2.180 174.479 176.600 0.097 0.000 1.061 188 E CA -1.700 54.712 56.400 0.020 0.000 0.877 188 E CB 2.647 32.364 29.700 0.027 0.000 1.590 188 E HN -0.153 8.211 8.360 0.007 0.000 0.462 189 K N -1.468 118.999 120.400 0.112 0.000 2.205 189 K HA 0.096 4.615 4.320 0.068 -0.158 0.279 189 K C -1.532 175.176 176.600 0.181 0.000 1.027 189 K CA -0.350 55.992 56.287 0.092 0.000 0.932 189 K CB 0.595 33.105 32.500 0.017 0.000 1.032 189 K HN 0.177 8.482 8.250 0.091 0.000 0.466 190 Y N 4.150 124.479 120.300 0.047 0.000 2.399 190 Y HA 0.032 4.608 4.550 0.043 0.000 0.327 190 Y C -2.618 173.346 175.900 0.106 0.000 1.111 190 Y CA -0.007 58.130 58.100 0.061 0.000 1.047 190 Y CB 3.224 41.710 38.460 0.043 0.000 1.259 190 Y HN 0.091 8.437 8.280 0.217 0.064 0.434 191 R N 7.950 128.146 120.500 -0.506 0.000 2.335 191 R HA 0.417 4.619 4.340 -0.229 0.000 0.302 191 R C -1.323 174.594 176.300 -0.638 0.000 1.147 191 R CA -3.617 52.246 56.100 -0.395 0.000 1.111 191 R CB -0.036 30.177 30.300 -0.145 0.000 1.122 191 R HN 0.232 8.220 8.270 -0.469 0.000 0.557 192 P HA -0.051 4.101 4.420 -0.447 0.000 0.217 192 P C -0.581 176.621 177.300 -0.164 0.000 1.154 192 P CA 0.825 63.690 63.100 -0.392 0.000 0.841 192 P CB 0.730 32.371 31.700 -0.097 0.000 0.788 193 A N -3.992 118.755 122.820 -0.123 0.000 2.604 193 A HA 0.025 4.301 4.320 -0.073 0.000 0.206 193 A C -1.627 175.921 177.584 -0.060 0.000 1.959 193 A CA 0.185 52.179 52.037 -0.072 0.000 1.535 193 A CB -0.700 18.276 19.000 -0.041 0.000 0.924 193 A HN -0.593 7.477 8.150 -0.134 0.000 0.640 194 S N -0.909 114.748 115.700 -0.072 0.000 2.686 194 S HA 0.060 4.492 4.470 -0.063 0.000 0.223 194 S C 0.046 174.600 174.600 -0.077 0.000 0.885 194 S CA -0.344 57.813 58.200 -0.071 0.000 1.115 194 S CB 0.764 63.919 63.200 -0.074 0.000 1.459 194 S HN -0.355 7.900 8.310 -0.090 0.000 0.444 195 A N 0.968 123.759 122.820 -0.048 0.000 1.927 195 A HA -0.204 4.145 4.320 0.048 0.000 0.220 195 A C 0.124 177.691 177.584 -0.030 0.000 1.185 195 A CA 1.759 53.793 52.037 -0.005 0.000 0.639 195 A CB -0.040 18.959 19.000 -0.001 0.000 0.820 195 A HN -0.014 8.105 8.150 -0.051 0.000 0.451 196 S N -2.988 112.675 115.700 -0.061 0.000 3.585 196 S HA -0.257 4.171 4.470 -0.070 0.000 0.638 196 S C -1.412 173.163 174.600 -0.042 0.000 2.340 196 S CA 0.467 58.620 58.200 -0.079 0.000 2.517 196 S CB 0.048 63.152 63.200 -0.160 0.000 0.329 196 S HN -0.361 7.905 8.310 -0.055 0.011 1.795 197 V N -1.620 118.267 119.914 -0.046 0.000 3.184 197 V HA 0.334 4.450 4.120 -0.006 0.000 0.308 197 V C -0.534 175.548 176.094 -0.020 0.000 1.243 197 V CA -1.761 60.526 62.300 -0.022 0.000 1.058 197 V CB 1.771 33.581 31.823 -0.023 0.000 1.183 197 V HN 0.059 8.210 8.190 -0.066 0.000 0.471 198 S N -1.464 114.230 115.700 -0.011 0.000 3.849 198 S HA -0.201 4.262 4.470 -0.011 0.000 0.654 198 S C -1.134 173.470 174.600 0.006 0.000 1.808 198 S CA 0.645 58.838 58.200 -0.011 0.000 1.951 198 S CB 0.290 63.475 63.200 -0.025 0.000 0.330 198 S HN -0.027 8.277 8.310 -0.009 0.000 1.627 199 A N -1.550 121.268 122.820 -0.004 0.000 1.519 199 A HA 0.202 4.539 4.320 0.028 0.000 0.210 199 A C -0.249 177.313 177.584 -0.036 0.000 1.889 199 A CA 0.406 52.439 52.037 -0.006 0.000 1.478 199 A CB 1.138 20.129 19.000 -0.016 0.000 1.432 199 A HN 0.210 8.352 8.150 -0.015 0.000 0.340 200 L N -3.943 117.259 121.223 -0.035 0.000 2.824 200 L HA -0.592 3.729 4.340 -0.031 0.000 0.395 200 L C 1.263 178.104 176.870 -0.048 0.000 1.064 200 L CA 2.427 57.243 54.840 -0.041 0.000 3.242 200 L CB -1.625 40.405 42.059 -0.049 0.000 0.821 200 L HN -0.038 8.177 8.230 -0.026 0.000 0.792 201 I N -1.288 119.237 120.570 -0.075 0.000 2.335 201 I HA -0.341 3.788 4.170 -0.069 0.000 0.251 201 I C 1.113 177.202 176.117 -0.047 0.000 1.129 201 I CA 2.953 64.206 61.300 -0.079 0.000 1.402 201 I CB -0.156 37.762 38.000 -0.136 0.000 1.069 201 I HN -0.188 7.872 8.210 -0.092 0.094 0.424 202 G N -1.956 106.820 108.800 -0.040 0.000 3.383 202 G HA2 0.056 4.003 3.960 -0.022 0.000 0.251 202 G HA3 0.056 4.003 3.960 -0.023 0.000 0.251 202 G C 0.193 175.083 174.900 -0.017 0.000 1.203 202 G CA -0.561 44.525 45.100 -0.025 0.000 0.852 202 G HN -0.102 8.133 8.290 -0.046 0.028 0.531 203 G N 0.947 109.736 108.800 -0.017 0.000 2.446 203 G HA2 -0.301 3.654 3.960 -0.008 0.000 0.217 203 G HA3 -0.301 3.654 3.960 -0.009 0.000 0.217 203 G C 0.001 174.899 174.900 -0.003 0.000 1.168 203 G CA 0.732 45.827 45.100 -0.009 0.000 0.771 203 G HN 0.197 8.285 8.290 -0.023 0.187 0.551 204 N N -2.216 116.481 118.700 -0.005 0.000 2.741 204 N HA 0.288 5.030 4.740 0.003 0.000 0.310 204 N C -1.639 173.863 175.510 -0.015 0.000 1.295 204 N CA -0.655 52.392 53.050 -0.005 0.000 0.893 204 N CB 2.012 40.495 38.487 -0.007 0.000 1.247 204 N HN -0.351 8.024 8.380 -0.009 0.000 0.596 205 Q N -1.432 118.353 119.800 -0.025 0.000 2.038 205 Q HA 0.102 4.429 4.340 -0.021 0.000 0.240 205 Q C -1.189 174.784 176.000 -0.044 0.000 0.831 205 Q CA 0.038 55.825 55.803 -0.027 0.000 1.068 205 Q CB 1.015 29.742 28.738 -0.019 0.000 1.241 205 Q HN 0.278 8.528 8.270 -0.033 0.000 0.435 206 E N 0.229 120.391 120.200 -0.064 0.000 2.302 206 E HA -0.220 4.066 4.350 -0.106 0.000 0.186 206 E C -0.684 175.844 176.600 -0.121 0.000 1.444 206 E CA -0.263 56.084 56.400 -0.088 0.000 0.671 206 E CB -0.272 29.394 29.700 -0.056 0.000 1.122 206 E HN -0.066 8.259 8.360 -0.058 0.000 0.366 207 G N 1.032 109.709 108.800 -0.204 0.000 2.519 207 G HA2 -0.143 3.746 3.960 -0.117 0.000 0.161 207 G HA3 -0.143 3.621 3.960 -0.326 0.000 0.161 207 G C -0.501 174.276 174.900 -0.205 0.000 1.671 207 G CA 0.171 45.138 45.100 -0.221 0.000 1.028 207 G HN 0.098 8.243 8.290 -0.243 0.000 0.486 208 S N -2.195 113.375 115.700 -0.217 0.000 2.564 208 S HA 0.049 4.474 4.470 -0.075 0.000 0.231 208 S C 0.744 175.303 174.600 -0.068 0.000 1.067 208 S CA 0.844 58.993 58.200 -0.085 0.000 0.908 208 S CB 0.610 63.818 63.200 0.013 0.000 0.809 208 S HN 0.039 8.188 8.310 -0.269 0.000 0.491 209 H N -0.207 118.861 119.070 -0.002 0.000 2.482 209 H HA 0.166 4.721 4.556 -0.002 0.000 0.286 209 H C -0.821 174.506 175.328 -0.002 0.000 1.017 209 H CA 1.104 57.151 56.048 -0.002 0.000 1.322 209 H CB -1.852 27.909 29.762 -0.002 0.000 1.426 209 H HN -0.007 7.978 8.280 -0.492 0.000 0.546 210 P HA 0.042 4.454 4.420 -0.013 0.000 0.214 210 P C -0.900 176.353 177.300 -0.078 0.000 1.163 210 P CA 0.245 63.274 63.100 -0.119 0.000 0.881 210 P CB 0.255 31.842 31.700 -0.187 0.000 0.775 211 Q N -3.853 115.884 119.800 -0.105 0.000 3.244 211 Q HA -0.302 3.998 4.340 -0.067 0.000 0.024 211 Q C -2.312 173.663 176.000 -0.043 0.000 1.715 211 Q CA -0.234 55.531 55.803 -0.063 0.000 0.237 211 Q CB -1.416 27.297 28.738 -0.041 0.000 0.588 211 Q HN -0.100 8.073 8.270 -0.162 0.000 0.322 212 P HA -0.044 4.364 4.420 -0.022 0.000 0.277 212 P C 0.349 177.637 177.300 -0.020 0.000 1.276 212 P CA -0.454 62.632 63.100 -0.024 0.000 0.788 212 P CB 0.561 32.249 31.700 -0.021 0.000 1.114 213 L N -4.205 117.008 121.223 -0.016 0.000 3.683 213 L HA -0.401 3.929 4.340 -0.017 0.000 0.053 213 L C 0.144 177.004 176.870 -0.016 0.000 4.276 213 L CA 1.808 56.638 54.840 -0.018 0.000 0.727 213 L CB -1.238 40.808 42.059 -0.021 0.000 3.467 213 L HN 0.384 8.606 8.230 -0.013 0.000 0.839 214 G N -2.549 106.241 108.800 -0.017 0.000 2.352 214 G HA2 -0.057 3.897 3.960 -0.010 0.000 0.305 214 G HA3 -0.057 3.894 3.960 -0.015 0.000 0.305 214 G C -1.863 173.028 174.900 -0.015 0.000 1.537 214 G CA -0.380 44.711 45.100 -0.014 0.000 0.959 214 G HN -0.371 7.885 8.290 -0.018 0.023 0.668 215 G N 0.068 108.862 108.800 -0.011 0.000 2.192 215 G HA2 -0.085 3.870 3.960 -0.008 0.000 0.258 215 G HA3 -0.085 3.871 3.960 -0.006 0.000 0.258 215 G C -0.661 174.227 174.900 -0.019 0.000 1.185 215 G CA -0.910 44.184 45.100 -0.010 0.000 0.976 215 G HN 0.145 8.431 8.290 -0.006 0.000 0.446 216 P HA 0.044 4.445 4.420 -0.031 0.000 0.272 216 P C -1.383 175.899 177.300 -0.030 0.000 1.230 216 P CA -0.439 62.645 63.100 -0.026 0.000 0.788 216 P CB 0.889 32.576 31.700 -0.021 0.000 0.949 217 E N 0.374 120.551 120.200 -0.039 0.000 3.909 217 E HA 0.314 4.643 4.350 -0.035 0.000 0.236 217 E C -1.899 174.675 176.600 -0.044 0.000 1.222 217 E CA -1.686 54.686 56.400 -0.046 0.000 1.205 217 E CB 0.051 29.707 29.700 -0.074 0.000 1.249 217 E HN 0.257 8.593 8.360 -0.041 0.000 0.411 218 P HA 0.038 4.441 4.420 -0.028 0.000 0.238 218 P C -1.048 176.239 177.300 -0.021 0.000 1.679 218 P CA -0.224 62.861 63.100 -0.025 0.000 1.080 218 P CB -1.085 30.604 31.700 -0.019 0.000 1.961 219 G N 1.098 109.883 108.800 -0.026 0.000 2.721 219 G HA2 0.304 4.259 3.960 -0.008 0.000 0.296 219 G HA3 0.304 4.323 3.960 -0.012 -0.067 0.296 219 G C -3.098 171.795 174.900 -0.013 0.000 1.383 219 G CA -0.828 44.263 45.100 -0.015 0.000 0.788 219 G HN -0.081 8.141 8.290 -0.037 0.046 0.500 223 Q N -2.335 117.606 119.800 0.236 0.000 2.327 223 Q HA 0.325 4.754 4.340 0.148 0.000 0.265 223 Q C -2.603 173.349 176.000 -0.080 0.000 0.993 223 Q CA -1.199 54.670 55.803 0.110 0.000 0.885 223 Q CB 3.331 32.098 28.738 0.047 0.000 1.379 223 Q HN 0.265 8.671 8.270 0.225 0.000 0.408 224 P HA -0.225 3.846 4.420 -0.913 -0.199 0.220 224 P C -1.369 175.739 177.300 -0.321 0.000 1.144 224 P CA 0.981 63.590 63.100 -0.818 0.000 0.800 224 P CB 0.650 31.681 31.700 -1.115 0.000 0.772 225 S N -3.506 112.082 115.700 -0.187 0.000 2.498 225 S HA 0.156 4.592 4.470 -0.056 0.000 0.324 225 S C -0.757 173.833 174.600 -0.017 0.000 1.071 225 S CA -0.557 57.601 58.200 -0.070 0.000 1.113 225 S CB 1.154 64.335 63.200 -0.033 0.000 0.976 225 S HN -0.551 7.598 8.310 -0.187 0.050 0.462 226 V N 0.711 120.629 119.914 0.006 0.000 3.058 226 V HA 0.222 4.356 4.120 0.024 0.000 0.233 226 V C -0.136 175.975 176.094 0.028 0.000 1.255 226 V CA 0.040 62.354 62.300 0.024 0.000 1.267 226 V CB 0.612 32.457 31.823 0.036 0.000 1.049 226 V HN 0.132 8.326 8.190 0.006 0.000 0.486 227 N N -0.819 117.900 118.700 0.031 0.000 2.381 227 N HA 0.072 4.831 4.740 0.031 0.000 0.257 227 N C -0.622 174.912 175.510 0.040 0.000 1.409 227 N CA 1.023 54.094 53.050 0.034 0.000 0.836 227 N CB 0.472 38.979 38.487 0.033 0.000 1.384 227 N HN -0.315 8.084 8.380 0.031 0.000 0.490 228 T N 0.000 114.581 114.554 0.045 0.000 3.816 228 T HA 0.000 4.384 4.350 0.056 0.000 0.228 228 T CA 0.000 62.136 62.100 0.060 0.000 1.349 228 T CB 0.000 68.911 68.868 0.071 0.000 0.612 228 T HN 0.000 8.264 8.240 0.040 0.000 0.658