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 1e8l_49_A DATA FIRST_RESID 1 DATA SEQUENCE KVFGRcELAA AMKRHGLDNY RGYSLGNWVc AAKFESNFNT QATNRNTDGS DATA SEQUENCE TDYGILQINS RWWcNDGRTP GSRNLcNIPc SALLSSDITA SVNcAKKIVS DATA SEQUENCE DGNGMNAWVA WRNRcKGTDV QAWIRGcRL 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 K HA 0.000 4.288 4.320 -0.053 0.000 0.191 1 K C 0.000 176.553 176.600 -0.078 0.000 0.988 1 K CA 0.000 56.247 56.287 -0.066 0.000 0.838 1 K CB 0.000 32.439 32.500 -0.102 0.000 1.064 2 V N 3.216 123.112 119.914 -0.029 0.000 2.686 2 V HA 0.158 4.424 4.120 0.079 -0.099 0.295 2 V C 0.177 176.283 176.094 0.020 0.000 1.057 2 V CA -1.800 60.528 62.300 0.046 0.000 1.012 2 V CB 0.480 32.365 31.823 0.104 0.000 1.006 2 V HN 0.253 8.432 8.190 -0.019 0.000 0.477 3 F N 4.572 124.561 119.950 0.064 0.000 2.480 3 F HA -0.143 4.364 4.527 -0.032 0.000 0.319 3 F C 0.358 176.113 175.800 -0.075 0.000 1.230 3 F CA 1.705 59.694 58.000 -0.018 0.000 1.285 3 F CB 0.895 39.862 39.000 -0.055 0.000 1.208 3 F HN 0.575 9.028 8.300 0.442 0.112 0.579 4 G N -2.035 106.822 108.800 0.095 0.000 2.425 4 G HA2 0.184 4.364 3.960 -0.023 0.000 0.302 4 G HA3 0.184 4.138 3.960 -0.011 0.000 0.302 4 G C -0.027 174.745 174.900 -0.212 0.000 1.159 4 G CA -1.394 43.685 45.100 -0.034 0.000 0.865 4 G HN -0.015 8.390 8.290 0.192 0.000 0.515 5 R N 1.198 121.583 120.500 -0.192 0.000 2.103 5 R HA -0.393 3.618 4.340 -0.549 0.000 0.234 5 R C 2.040 178.198 176.300 -0.237 0.000 1.132 5 R CA 3.736 59.673 56.100 -0.270 0.000 0.925 5 R CB -0.671 29.590 30.300 -0.065 0.000 0.842 5 R HN 0.544 8.764 8.270 -0.084 0.000 0.430 6 c N -3.189 115.342 118.600 -0.116 0.000 2.492 6 c HA -0.058 4.458 4.570 -0.090 0.000 0.279 6 c C 2.108 176.140 174.090 -0.098 0.000 1.335 6 c CA 2.080 58.357 56.329 -0.087 0.000 1.734 6 c CB -0.968 41.519 42.510 -0.039 0.000 2.027 6 c HN 0.368 8.551 8.230 -0.077 0.000 0.496 7 E N 1.105 121.258 120.200 -0.078 0.000 2.065 7 E HA -0.458 3.869 4.350 -0.038 0.000 0.201 7 E C 1.933 178.495 176.600 -0.064 0.000 1.016 7 E CA 3.312 59.688 56.400 -0.041 0.000 0.818 7 E CB -0.633 29.072 29.700 0.008 0.000 0.749 7 E HN -0.084 8.233 8.360 -0.072 0.000 0.453 8 L N -1.683 119.463 121.223 -0.129 0.000 2.056 8 L HA -0.275 3.907 4.340 -0.263 0.000 0.207 8 L C 1.269 177.969 176.870 -0.284 0.000 1.078 8 L CA 3.058 57.727 54.840 -0.285 0.000 0.749 8 L CB -0.163 41.584 42.059 -0.520 0.000 0.901 8 L HN -0.194 7.833 8.230 -0.153 0.111 0.433 9 A N -0.870 121.814 122.820 -0.226 0.000 1.865 9 A HA -0.475 3.759 4.320 -0.144 0.000 0.217 9 A C 1.826 179.327 177.584 -0.138 0.000 1.191 9 A CA 3.160 55.107 52.037 -0.150 0.000 0.623 9 A CB -1.159 17.788 19.000 -0.087 0.000 0.826 9 A HN -0.510 7.413 8.150 -0.232 0.088 0.444 10 A N -2.203 120.545 122.820 -0.120 0.000 1.948 10 A HA -0.420 3.849 4.320 -0.085 0.000 0.220 10 A C 1.691 179.171 177.584 -0.174 0.000 1.177 10 A CA 2.998 54.968 52.037 -0.111 0.000 0.636 10 A CB -0.613 18.338 19.000 -0.082 0.000 0.815 10 A HN 0.537 8.512 8.150 -0.109 0.110 0.449 11 A N -2.220 120.455 122.820 -0.241 0.000 1.930 11 A HA -0.365 3.713 4.320 -0.403 0.000 0.217 11 A C 1.821 179.077 177.584 -0.547 0.000 1.175 11 A CA 2.729 54.510 52.037 -0.427 0.000 0.627 11 A CB -0.551 18.184 19.000 -0.442 0.000 0.815 11 A HN -0.590 7.338 8.150 -0.207 0.097 0.443 12 M N -0.762 118.621 119.600 -0.363 0.000 2.065 12 M HA -0.397 3.897 4.480 -0.310 0.000 0.259 12 M C 2.544 178.720 176.300 -0.207 0.000 1.069 12 M CA 2.335 57.466 55.300 -0.282 0.000 1.110 12 M CB -1.325 31.162 32.600 -0.190 0.000 1.328 12 M HN 0.156 8.150 8.290 -0.304 0.113 0.405 13 K N -0.571 119.742 120.400 -0.145 0.000 2.074 13 K HA -0.383 3.904 4.320 -0.054 0.000 0.209 13 K C 2.609 179.159 176.600 -0.084 0.000 1.048 13 K CA 3.213 59.450 56.287 -0.083 0.000 0.926 13 K CB -0.186 32.281 32.500 -0.055 0.000 0.713 13 K HN -0.021 8.143 8.250 -0.143 0.000 0.444 14 R N -3.260 117.161 120.500 -0.131 0.000 2.075 14 R HA -0.264 4.047 4.340 -0.049 0.000 0.232 14 R C 1.891 178.183 176.300 -0.013 0.000 1.126 14 R CA 2.561 58.606 56.100 -0.091 0.000 0.963 14 R CB 0.115 30.329 30.300 -0.143 0.000 0.858 14 R HN -0.703 7.370 8.270 -0.185 0.085 0.435 15 H N -4.326 114.649 119.070 -0.158 0.000 2.555 15 H HA -0.040 4.410 4.556 -0.177 0.000 0.269 15 H C 0.175 175.347 175.328 -0.261 0.000 0.988 15 H CA 0.299 56.215 56.048 -0.219 0.000 1.178 15 H CB 0.861 30.445 29.762 -0.295 0.000 1.373 15 H HN 0.142 8.102 8.280 -0.220 0.188 0.588 16 G N -2.411 106.344 108.800 -0.075 0.000 2.137 16 G HA2 -0.412 3.551 3.960 0.005 0.000 0.237 16 G HA3 -0.412 3.551 3.960 0.004 0.000 0.237 16 G C -0.496 174.329 174.900 -0.125 0.000 1.002 16 G CA 0.735 45.807 45.100 -0.048 0.000 0.702 16 G HN -0.206 7.853 8.290 -0.062 0.193 0.515 17 L N -4.311 116.712 121.223 -0.334 0.000 2.492 17 L HA -0.086 3.812 4.340 -0.737 0.000 0.223 17 L C -0.294 176.493 176.870 -0.140 0.000 1.132 17 L CA 0.696 55.143 54.840 -0.654 0.000 0.850 17 L CB -0.111 41.225 42.059 -1.206 0.000 0.966 17 L HN -0.514 7.540 8.230 -0.293 0.000 0.454 18 D N -1.584 118.831 120.400 0.025 0.000 2.398 18 D HA -0.215 4.697 4.640 0.267 -0.111 0.250 18 D C -0.463 175.967 176.300 0.217 0.000 1.287 18 D CA 0.981 55.082 54.000 0.168 0.000 0.992 18 D CB -0.888 39.970 40.800 0.097 0.000 1.071 18 D HN -0.390 7.901 8.370 -0.043 0.053 0.514 19 N N 0.682 119.587 118.700 0.343 0.000 2.920 19 N HA -0.326 4.604 4.740 0.290 -0.016 0.247 19 N C -1.622 174.060 175.510 0.288 0.000 1.123 19 N CA 1.181 54.396 53.050 0.275 0.000 0.711 19 N CB -0.662 37.916 38.487 0.153 0.000 1.065 19 N HN 0.295 8.905 8.380 0.500 0.071 0.554 20 Y N 1.940 122.429 120.300 0.314 0.000 2.350 20 Y HA -0.017 4.602 4.550 0.114 0.000 0.340 20 Y C 0.768 176.882 175.900 0.356 0.000 1.006 20 Y CA 1.415 59.653 58.100 0.229 0.000 1.166 20 Y CB 1.043 39.509 38.460 0.010 0.000 1.168 20 Y HN 0.221 8.937 8.280 0.728 0.000 0.502 21 R N 6.537 126.899 120.500 -0.230 0.000 3.953 21 R HA -0.337 3.873 4.340 -0.218 0.000 0.340 21 R C -0.906 175.363 176.300 -0.053 0.000 1.195 21 R CA 0.967 57.000 56.100 -0.112 0.000 0.929 21 R CB -1.842 28.510 30.300 0.087 0.000 1.402 21 R HN 0.931 8.896 8.270 -0.508 0.000 0.540 22 G N -5.308 103.471 108.800 -0.034 0.000 2.176 22 G HA2 -0.336 3.467 3.960 -0.262 0.000 0.232 22 G HA3 -0.336 3.577 3.960 -0.077 0.000 0.232 22 G C -0.759 174.023 174.900 -0.197 0.000 0.986 22 G CA -0.065 44.948 45.100 -0.144 0.000 0.643 22 G HN -0.358 7.878 8.290 0.020 0.066 0.522 23 Y N 1.967 122.397 120.300 0.218 0.000 2.331 23 Y HA 0.165 4.742 4.550 0.044 0.000 0.338 23 Y C -0.738 175.406 175.900 0.407 0.000 0.976 23 Y CA -2.065 56.128 58.100 0.156 0.000 1.137 23 Y CB 1.523 39.865 38.460 -0.196 0.000 1.172 23 Y HN -0.016 8.317 8.280 0.414 0.196 0.478 24 S N 3.475 119.423 115.700 0.413 0.000 2.614 24 S HA 0.043 4.880 4.470 0.389 -0.134 0.265 24 S C 0.855 175.754 174.600 0.497 0.000 1.303 24 S CA -0.778 57.654 58.200 0.387 0.000 1.000 24 S CB 1.130 64.480 63.200 0.249 0.000 0.935 24 S HN 0.521 9.029 8.310 0.331 0.000 0.551 25 L N 2.336 123.821 121.223 0.437 0.000 1.991 25 L HA -0.413 4.263 4.340 0.559 0.000 0.221 25 L C 2.097 179.196 176.870 0.381 0.000 1.079 25 L CA 4.091 59.187 54.840 0.428 0.000 0.778 25 L CB -0.267 41.926 42.059 0.223 0.000 0.893 25 L HN 0.024 8.447 8.230 0.323 0.000 0.437 26 G N -4.126 104.846 108.800 0.287 0.000 2.545 26 G HA2 -0.527 3.600 3.960 0.279 0.000 0.222 26 G HA3 -0.527 3.611 3.960 0.297 0.000 0.222 26 G C 1.231 176.298 174.900 0.277 0.000 1.126 26 G CA 2.469 47.741 45.100 0.287 0.000 0.754 26 G HN 0.353 8.799 8.290 0.259 0.000 0.583 27 N N 1.451 120.253 118.700 0.171 0.000 2.244 27 N HA -0.173 4.766 4.740 0.331 0.000 0.183 27 N C 2.121 177.481 175.510 -0.250 0.000 1.016 27 N CA 2.703 55.737 53.050 -0.026 0.000 0.866 27 N CB -0.085 38.175 38.487 -0.379 0.000 0.980 27 N HN -0.201 8.180 8.380 0.186 0.111 0.430 28 W N -1.074 120.254 121.300 0.047 0.000 2.476 28 W HA -0.105 4.472 4.660 -0.138 0.000 0.281 28 W C 2.347 178.879 176.519 0.021 0.000 1.230 28 W CA 3.214 60.537 57.345 -0.037 0.000 1.287 28 W CB -0.162 29.271 29.460 -0.045 0.000 1.108 28 W HN -0.020 8.082 8.180 0.081 0.128 0.567 29 V N 0.427 120.511 119.914 0.284 0.000 2.283 29 V HA -0.505 3.833 4.120 0.364 0.000 0.243 29 V C 1.303 177.517 176.094 0.200 0.000 1.039 29 V CA 5.015 67.483 62.300 0.280 0.000 1.016 29 V CB -0.536 31.411 31.823 0.208 0.000 0.650 29 V HN -0.178 8.190 8.190 0.296 0.000 0.449 30 c N -0.847 117.821 118.600 0.114 0.000 2.413 30 c HA -0.424 3.916 4.570 -0.384 0.000 0.276 30 c C 1.686 175.833 174.090 0.095 0.000 1.236 30 c CA 4.161 60.477 56.329 -0.020 0.000 1.735 30 c CB -2.402 40.225 42.510 0.196 0.000 2.031 30 c HN -0.175 8.178 8.230 0.205 0.000 0.474 31 A N -0.745 122.214 122.820 0.231 0.000 1.877 31 A HA -0.354 4.161 4.320 0.326 0.000 0.216 31 A C 1.695 179.243 177.584 -0.061 0.000 1.186 31 A CA 3.112 55.250 52.037 0.169 0.000 0.620 31 A CB -0.729 18.249 19.000 -0.037 0.000 0.822 31 A HN -0.427 7.881 8.150 0.263 0.000 0.443 32 A N -1.444 121.314 122.820 -0.103 0.000 1.898 32 A HA -0.220 4.066 4.320 -0.246 -0.113 0.216 32 A C 1.799 179.053 177.584 -0.551 0.000 1.181 32 A CA 2.671 54.592 52.037 -0.193 0.000 0.620 32 A CB -0.531 18.526 19.000 0.094 0.000 0.819 32 A HN -0.331 7.820 8.150 0.002 0.000 0.442 33 K N -0.417 119.481 120.400 -0.838 0.000 2.001 33 K HA -0.369 2.462 4.320 -2.482 0.000 0.214 33 K C 2.562 178.702 176.600 -0.766 0.000 1.050 33 K CA 3.308 58.791 56.287 -1.341 0.000 0.934 33 K CB -0.040 31.900 32.500 -0.933 0.000 0.718 33 K HN 0.054 7.946 8.250 -0.413 0.109 0.443 34 F N -4.396 115.299 119.950 -0.425 0.000 2.367 34 F HA -0.194 4.178 4.527 -0.257 0.000 0.298 34 F C 2.025 177.708 175.800 -0.196 0.000 1.094 34 F CA 3.288 61.133 58.000 -0.259 0.000 1.409 34 F CB 0.236 39.135 39.000 -0.170 0.000 1.064 34 F HN -0.613 7.618 8.300 -0.114 0.000 0.528 35 E N -2.290 117.886 120.200 -0.040 0.000 2.017 35 E HA -0.255 4.113 4.350 0.031 0.000 0.193 35 E C 0.896 177.445 176.600 -0.084 0.000 0.997 35 E CA 2.465 58.837 56.400 -0.047 0.000 0.804 35 E CB 0.882 30.505 29.700 -0.129 0.000 0.757 35 E HN -0.287 7.919 8.360 -0.090 0.100 0.448 36 S N -6.749 108.850 115.700 -0.169 0.000 2.787 36 S HA 0.101 4.525 4.470 -0.078 0.000 0.255 36 S C -0.341 174.145 174.600 -0.191 0.000 1.051 36 S CA -1.058 57.067 58.200 -0.124 0.000 1.124 36 S CB 2.066 65.234 63.200 -0.054 0.000 1.104 36 S HN 0.072 8.227 8.310 -0.258 0.000 0.623 37 N N 2.369 120.828 118.700 -0.402 0.000 2.741 37 N HA -0.366 4.000 4.740 -0.780 -0.093 0.250 37 N C -1.320 173.997 175.510 -0.321 0.000 1.115 37 N CA 1.722 54.476 53.050 -0.493 0.000 0.724 37 N CB -1.354 36.979 38.487 -0.257 0.000 1.090 37 N HN -0.018 7.989 8.380 -0.469 0.092 0.558 38 F N -10.606 109.324 119.950 -0.032 0.000 2.988 38 F HA -0.510 4.032 4.527 0.026 0.000 0.287 38 F C -0.993 174.893 175.800 0.143 0.000 0.781 38 F CA 0.563 58.595 58.000 0.053 0.000 1.221 38 F CB -3.342 35.697 39.000 0.066 0.000 1.392 38 F HN -0.626 7.322 8.300 -0.533 0.032 0.425 39 N N 0.576 119.379 118.700 0.171 0.000 2.405 39 N HA 0.004 4.828 4.740 0.141 0.000 0.260 39 N C 1.340 176.956 175.510 0.177 0.000 1.152 39 N CA -0.287 52.846 53.050 0.139 0.000 0.948 39 N CB 0.634 39.156 38.487 0.060 0.000 1.111 39 N HN -0.516 7.723 8.380 0.055 0.175 0.485 40 T N 6.614 121.285 114.554 0.196 0.000 2.977 40 T HA -0.307 4.235 4.350 0.320 0.000 0.271 40 T C 0.401 175.184 174.700 0.139 0.000 1.105 40 T CA 2.553 64.782 62.100 0.216 0.000 1.116 40 T CB -0.067 68.871 68.868 0.117 0.000 0.878 40 T HN 0.235 8.561 8.240 0.144 0.000 0.509 41 Q N -1.749 118.112 119.800 0.101 0.000 2.217 41 Q HA 0.210 4.614 4.340 0.106 0.000 0.217 41 Q C -0.792 175.274 176.000 0.110 0.000 0.844 41 Q CA -1.198 54.661 55.803 0.095 0.000 0.957 41 Q CB 1.204 29.977 28.738 0.059 0.000 1.127 41 Q HN -0.459 8.115 8.270 0.088 -0.251 0.503 42 A N 2.027 124.907 122.820 0.100 0.000 2.524 42 A HA -0.109 4.250 4.320 0.066 0.000 0.250 42 A C -1.247 176.399 177.584 0.103 0.000 1.078 42 A CA 1.366 53.451 52.037 0.079 0.000 0.761 42 A CB 0.447 19.473 19.000 0.043 0.000 1.012 42 A HN -0.528 7.488 8.150 0.102 0.196 0.500 43 T N 0.085 114.695 114.554 0.094 0.000 2.824 43 T HA 0.405 4.935 4.350 0.008 -0.174 0.282 43 T C -0.899 173.775 174.700 -0.044 0.000 0.993 43 T CA -2.814 59.320 62.100 0.056 0.000 0.967 43 T CB 2.193 71.212 68.868 0.252 0.000 0.960 43 T HN -0.280 8.008 8.240 0.080 0.000 0.441 44 N N 4.886 123.500 118.700 -0.144 0.000 2.531 44 N HA 0.140 4.849 4.740 -0.052 0.000 0.268 44 N C -1.387 174.040 175.510 -0.139 0.000 1.023 44 N CA -0.928 52.065 53.050 -0.095 0.000 0.896 44 N CB 2.077 40.536 38.487 -0.047 0.000 1.233 44 N HN -0.035 8.146 8.380 -0.245 0.052 0.512 45 R N 4.669 125.113 120.500 -0.092 0.000 2.298 45 R HA -0.009 4.259 4.340 -0.119 0.000 0.310 45 R C -0.499 175.774 176.300 -0.044 0.000 1.068 45 R CA 0.337 56.392 56.100 -0.074 0.000 0.957 45 R CB 0.450 30.738 30.300 -0.021 0.000 1.003 45 R HN 0.374 8.611 8.270 -0.055 0.000 0.454 46 N N 5.602 124.274 118.700 -0.046 0.000 2.530 46 N HA 0.276 5.000 4.740 -0.027 0.000 0.283 46 N C 1.179 176.675 175.510 -0.025 0.000 1.238 46 N CA -1.220 51.809 53.050 -0.033 0.000 0.971 46 N CB 1.573 40.035 38.487 -0.042 0.000 1.195 46 N HN 0.122 8.466 8.380 -0.059 0.000 0.583 47 T N -2.964 111.576 114.554 -0.024 0.000 3.067 47 T HA -0.125 4.217 4.350 -0.013 0.000 0.261 47 T C 0.047 174.733 174.700 -0.025 0.000 1.110 47 T CA 2.137 64.225 62.100 -0.019 0.000 1.113 47 T CB -0.143 68.714 68.868 -0.018 0.000 0.917 47 T HN 0.426 8.651 8.240 -0.026 0.000 0.499 48 D N -1.299 119.078 120.400 -0.039 0.000 2.371 48 D HA -0.062 4.551 4.640 -0.045 0.000 0.221 48 D C 1.064 177.340 176.300 -0.039 0.000 0.986 48 D CA -0.286 53.684 54.000 -0.051 0.000 0.899 48 D CB -1.183 39.567 40.800 -0.084 0.000 0.902 48 D HN -0.317 7.991 8.370 -0.043 0.036 0.530 49 G N -0.100 108.687 108.800 -0.022 0.000 2.308 49 G HA2 -0.264 3.700 3.960 0.006 0.000 0.221 49 G HA3 -0.264 3.702 3.960 0.010 0.000 0.221 49 G C 0.220 175.125 174.900 0.008 0.000 1.032 49 G CA -0.147 44.953 45.100 0.000 0.000 0.623 49 G HN -0.612 7.583 8.290 -0.023 0.081 0.506 50 S N 3.114 118.803 115.700 -0.019 0.000 2.634 50 S HA -0.068 4.425 4.470 0.038 0.000 0.261 50 S C -0.924 173.648 174.600 -0.047 0.000 1.271 50 S CA 0.701 58.894 58.200 -0.012 0.000 0.985 50 S CB 1.753 64.918 63.200 -0.059 0.000 0.968 50 S HN -0.311 8.087 8.310 -0.045 -0.116 0.568 51 T N -0.791 113.712 114.554 -0.085 0.000 2.812 51 T HA 0.512 4.897 4.350 -0.217 -0.166 0.294 51 T C -1.506 173.019 174.700 -0.293 0.000 1.159 51 T CA -1.075 60.852 62.100 -0.289 0.000 1.008 51 T CB 3.804 72.281 68.868 -0.651 0.000 1.289 51 T HN -0.091 8.390 8.240 -0.019 -0.252 0.514 52 D N 2.414 122.587 120.400 -0.380 0.000 2.434 52 D HA 0.358 5.001 4.640 0.004 0.000 0.275 52 D C -1.185 175.015 176.300 -0.165 0.000 1.172 52 D CA -0.647 53.269 54.000 -0.141 0.000 0.916 52 D CB 0.588 41.383 40.800 -0.009 0.000 1.041 52 D HN 0.150 8.199 8.370 -0.460 0.046 0.501 53 Y N 2.048 122.430 120.300 0.138 0.000 2.802 53 Y HA 0.129 4.872 4.550 0.092 -0.138 0.330 53 Y C -0.865 175.105 175.900 0.117 0.000 1.193 53 Y CA -1.017 57.151 58.100 0.113 0.000 1.427 53 Y CB -1.192 37.332 38.460 0.108 0.000 1.357 53 Y HN -0.388 7.834 8.280 0.039 0.081 0.501 54 G N 0.880 109.801 108.800 0.202 0.000 2.340 54 G HA2 0.069 4.173 3.960 0.156 0.000 0.298 54 G HA3 0.069 4.126 3.960 0.161 0.000 0.298 54 G C -1.747 173.205 174.900 0.086 0.000 1.498 54 G CA 0.257 45.449 45.100 0.153 0.000 0.847 54 G HN -0.375 8.008 8.290 0.155 0.000 0.594 55 I N -0.407 120.206 120.570 0.071 0.000 2.394 55 I HA -0.266 3.935 4.170 0.052 0.000 0.251 55 I C -0.343 175.722 176.117 -0.086 0.000 1.136 55 I CA 1.682 63.002 61.300 0.033 0.000 1.425 55 I CB 0.525 38.558 38.000 0.055 0.000 1.079 55 I HN -0.109 8.155 8.210 0.090 0.000 0.425 56 L N -3.771 117.379 121.223 -0.123 0.000 2.667 56 L HA 0.090 4.216 4.340 -0.534 -0.106 0.232 56 L C -1.747 174.983 176.870 -0.234 0.000 1.138 56 L CA -1.889 52.737 54.840 -0.358 0.000 0.921 56 L CB -1.547 40.314 42.059 -0.329 0.000 1.180 56 L HN -0.388 7.792 8.230 -0.043 0.023 0.487 57 Q N -4.274 115.531 119.800 0.009 0.000 2.418 57 Q HA -0.405 4.081 4.340 0.131 -0.067 0.340 57 Q C -1.598 174.610 176.000 0.346 0.000 1.428 57 Q CA 0.407 56.319 55.803 0.182 0.000 0.874 57 Q CB -2.688 26.208 28.738 0.264 0.000 1.094 57 Q HN -0.510 7.592 8.270 0.001 0.169 0.334 58 I N -0.895 119.855 120.570 0.301 0.000 2.311 58 I HA -0.027 4.419 4.170 0.461 0.000 0.297 58 I C -0.418 175.967 176.117 0.446 0.000 1.131 58 I CA -2.706 58.829 61.300 0.392 0.000 1.289 58 I CB -2.646 35.537 38.000 0.305 0.000 1.446 58 I HN 0.040 8.376 8.210 0.242 0.019 0.524 59 N N 8.309 127.322 118.700 0.523 0.000 2.412 59 N HA -0.114 5.048 4.740 0.224 -0.287 0.279 59 N C 0.982 176.726 175.510 0.391 0.000 1.287 59 N CA -0.354 52.909 53.050 0.355 0.000 0.948 59 N CB 0.144 38.770 38.487 0.232 0.000 1.255 59 N HN -0.179 8.612 8.380 0.685 0.000 0.485 60 S N 5.987 121.949 115.700 0.437 0.000 2.442 60 S HA -0.312 4.361 4.470 0.339 0.000 0.236 60 S C 1.034 175.782 174.600 0.247 0.000 1.007 60 S CA 2.963 61.383 58.200 0.367 0.000 0.965 60 S CB 0.048 63.479 63.200 0.384 0.000 0.773 60 S HN 0.163 8.798 8.310 0.542 0.000 0.504 61 R N -0.313 120.328 120.500 0.235 0.000 2.363 61 R HA -0.085 4.345 4.340 0.150 0.000 0.236 61 R C -1.016 175.429 176.300 0.242 0.000 0.966 61 R CA 0.577 56.791 56.100 0.191 0.000 1.100 61 R CB -0.082 30.325 30.300 0.178 0.000 1.125 61 R HN -0.460 8.160 8.270 0.251 -0.199 0.514 62 W N -3.196 117.991 121.300 -0.189 0.000 0.903 62 W HA 0.086 4.523 4.660 -0.371 0.000 0.154 62 W C -2.183 173.937 176.519 -0.665 0.000 0.665 62 W CA 0.132 57.178 57.345 -0.498 0.000 0.570 62 W CB 2.390 31.415 29.460 -0.725 0.000 0.751 62 W HN -0.366 7.793 8.180 0.154 0.113 0.413 63 W N -3.611 117.794 121.300 0.176 0.000 4.712 63 W HA 0.172 4.868 4.660 0.061 0.000 0.191 63 W C -1.331 175.230 176.519 0.069 0.000 1.193 63 W CA 0.645 58.058 57.345 0.113 0.000 2.258 63 W CB 2.963 32.526 29.460 0.171 0.000 0.953 63 W HN -0.527 7.771 8.180 0.196 0.000 0.923 64 c N -3.328 115.488 118.600 0.359 0.000 2.335 64 c HA 0.395 5.148 4.570 0.179 -0.075 0.363 64 c C -0.734 173.435 174.090 0.132 0.000 1.198 64 c CA -2.236 54.218 56.329 0.208 0.000 2.279 64 c CB 1.786 44.410 42.510 0.190 0.000 2.334 64 c HN -0.435 8.055 8.230 0.433 0.000 0.559 65 N N 1.639 120.388 118.700 0.081 0.000 2.457 65 N HA 0.163 4.931 4.740 0.046 0.000 0.250 65 N C 0.461 175.987 175.510 0.027 0.000 0.982 65 N CA -0.237 52.840 53.050 0.045 0.000 0.941 65 N CB 1.937 40.441 38.487 0.028 0.000 1.120 65 N HN -0.224 8.202 8.380 0.078 0.000 0.505 66 D N 7.815 128.225 120.400 0.017 0.000 2.366 66 D HA 0.032 4.654 4.640 -0.031 0.000 0.205 66 D C 0.457 176.747 176.300 -0.016 0.000 1.022 66 D CA -0.500 53.488 54.000 -0.021 0.000 0.868 66 D CB 1.042 41.807 40.800 -0.058 0.000 0.953 66 D HN -0.317 8.072 8.370 0.032 0.000 0.514 67 G N -0.250 108.549 108.800 -0.001 0.000 2.212 67 G HA2 -0.329 3.628 3.960 -0.005 0.000 0.266 67 G HA3 -0.329 3.633 3.960 0.002 0.000 0.266 67 G C 0.419 175.319 174.900 -0.000 0.000 0.978 67 G CA 1.117 46.216 45.100 -0.001 0.000 0.632 67 G HN 0.517 8.812 8.290 0.008 0.000 0.537 68 R N -1.430 119.069 120.500 -0.002 0.000 2.362 68 R HA 0.267 4.609 4.340 0.004 0.000 0.227 68 R C -1.192 175.121 176.300 0.022 0.000 0.905 68 R CA -0.071 56.031 56.100 0.004 0.000 1.067 68 R CB 0.640 30.935 30.300 -0.009 0.000 1.078 68 R HN 0.205 8.636 8.270 -0.007 -0.166 0.516 69 T N 2.529 117.101 114.554 0.029 0.000 2.930 69 T HA 0.364 4.741 4.350 0.045 0.000 0.313 69 T C -2.469 172.251 174.700 0.034 0.000 1.019 69 T CA -2.604 59.523 62.100 0.045 0.000 1.004 69 T CB 0.987 69.901 68.868 0.077 0.000 0.987 69 T HN -0.650 7.641 8.240 0.023 -0.037 0.456 70 P HA -0.054 4.372 4.420 0.010 0.000 0.269 70 P C -0.379 176.931 177.300 0.018 0.000 1.263 70 P CA 0.337 63.447 63.100 0.017 0.000 0.813 70 P CB -0.317 31.392 31.700 0.015 0.000 0.868 71 G N 3.465 112.268 108.800 0.004 0.000 2.370 71 G HA2 -0.181 3.788 3.960 0.014 0.000 0.174 71 G HA3 -0.181 3.765 3.960 -0.024 0.000 0.174 71 G C -0.343 174.536 174.900 -0.035 0.000 1.002 71 G CA -0.426 44.670 45.100 -0.008 0.000 0.730 71 G HN -0.110 8.180 8.290 -0.001 0.000 0.497 72 S N 0.766 116.453 115.700 -0.022 0.000 2.555 72 S HA -0.085 4.374 4.470 -0.019 0.000 0.293 72 S C 1.083 175.617 174.600 -0.110 0.000 1.248 72 S CA 0.691 58.870 58.200 -0.035 0.000 1.096 72 S CB 0.270 63.472 63.200 0.004 0.000 0.881 72 S HN -0.550 7.757 8.310 -0.004 0.000 0.498 73 R N 5.957 126.319 120.500 -0.230 0.000 2.096 73 R HA -0.239 3.918 4.340 -0.304 0.000 0.235 73 R C -0.110 176.086 176.300 -0.173 0.000 1.127 73 R CA 2.070 57.969 56.100 -0.335 0.000 0.968 73 R CB 0.267 30.129 30.300 -0.730 0.000 0.861 73 R HN 0.346 8.465 8.270 -0.250 0.000 0.440 74 N N -4.364 114.288 118.700 -0.080 0.000 2.747 74 N HA -0.276 4.731 4.740 0.080 -0.219 0.249 74 N C 0.876 176.421 175.510 0.058 0.000 1.107 74 N CA 0.744 53.807 53.050 0.021 0.000 0.707 74 N CB -1.330 37.159 38.487 0.003 0.000 1.054 74 N HN 0.123 8.454 8.380 -0.083 0.000 0.555 75 L N -4.418 116.853 121.223 0.080 0.000 2.079 75 L HA -0.299 4.086 4.340 0.074 0.000 0.210 75 L C 0.253 177.280 176.870 0.262 0.000 1.081 75 L CA 2.554 57.503 54.840 0.182 0.000 0.752 75 L CB -0.236 42.009 42.059 0.310 0.000 0.896 75 L HN 0.118 8.320 8.230 -0.006 0.024 0.433 76 c N -4.355 114.456 118.600 0.351 0.000 2.539 76 c HA -0.098 4.530 4.570 0.096 0.000 0.268 76 c C -0.315 173.839 174.090 0.106 0.000 1.395 76 c CA -0.299 56.139 56.329 0.182 0.000 1.757 76 c CB -0.401 42.223 42.510 0.190 0.000 1.851 76 c HN -0.398 8.101 8.230 0.476 0.017 0.545 77 N N -0.340 118.426 118.700 0.110 0.000 2.707 77 N HA -0.335 4.679 4.740 0.059 -0.239 0.253 77 N C -1.523 174.020 175.510 0.055 0.000 0.998 77 N CA 1.365 54.453 53.050 0.064 0.000 0.751 77 N CB -1.279 37.232 38.487 0.040 0.000 0.920 77 N HN -0.385 7.932 8.380 0.140 0.147 0.539 78 I N -0.652 119.964 120.570 0.077 0.000 2.693 78 I HA 0.407 4.600 4.170 0.038 0.000 0.303 78 I C -2.750 173.405 176.117 0.063 0.000 1.025 78 I CA -3.561 57.776 61.300 0.062 0.000 1.086 78 I CB 3.485 41.526 38.000 0.068 0.000 1.268 78 I HN -0.880 7.398 8.210 0.111 -0.001 0.440 79 P HA 0.489 4.928 4.420 0.032 0.000 0.291 79 P C -0.198 177.128 177.300 0.044 0.000 1.340 79 P CA -1.023 62.098 63.100 0.035 0.000 0.799 79 P CB -0.096 31.616 31.700 0.020 0.000 0.917 80 c N 4.598 123.224 118.600 0.043 0.000 2.393 80 c HA -0.331 4.293 4.570 0.091 0.000 0.276 80 c C 1.744 175.848 174.090 0.023 0.000 1.215 80 c CA 3.105 59.460 56.329 0.043 0.000 1.743 80 c CB -1.299 41.203 42.510 -0.013 0.000 2.044 80 c HN 0.720 8.973 8.230 0.037 0.000 0.464 81 S N -1.282 114.416 115.700 -0.004 0.000 2.469 81 S HA -0.298 4.167 4.470 -0.007 0.000 0.238 81 S C 0.279 174.890 174.600 0.018 0.000 0.998 81 S CA 2.546 60.745 58.200 -0.002 0.000 0.957 81 S CB -0.933 62.259 63.200 -0.014 0.000 0.764 81 S HN 0.339 8.642 8.310 -0.013 0.000 0.514 82 A N -1.296 121.539 122.820 0.025 0.000 2.081 82 A HA -0.015 4.319 4.320 0.024 0.000 0.214 82 A C 0.313 177.923 177.584 0.043 0.000 1.158 82 A CA 1.382 53.435 52.037 0.028 0.000 0.724 82 A CB 0.426 19.438 19.000 0.020 0.000 0.826 82 A HN -0.506 7.470 8.150 0.025 0.189 0.463 83 L N -5.844 115.413 121.223 0.057 0.000 2.592 83 L HA 0.049 4.427 4.340 0.063 0.000 0.227 83 L C 0.488 177.421 176.870 0.105 0.000 1.127 83 L CA 0.722 55.607 54.840 0.076 0.000 0.884 83 L CB 0.040 42.151 42.059 0.087 0.000 1.065 83 L HN -0.619 7.488 8.230 0.057 0.157 0.457 84 L N -3.596 117.682 121.223 0.091 0.000 2.616 84 L HA 0.212 4.821 4.340 0.129 -0.191 0.229 84 L C 0.466 177.385 176.870 0.081 0.000 1.110 84 L CA -0.305 54.594 54.840 0.099 0.000 0.884 84 L CB -0.098 42.008 42.059 0.078 0.000 1.115 84 L HN -0.971 7.132 8.230 0.069 0.169 0.481 85 S N -0.815 114.927 115.700 0.070 0.000 2.641 85 S HA -0.109 4.373 4.470 0.020 0.000 0.251 85 S C -0.337 174.288 174.600 0.042 0.000 1.332 85 S CA 0.480 58.706 58.200 0.043 0.000 0.968 85 S CB 0.996 64.219 63.200 0.039 0.000 0.987 85 S HN -0.496 7.807 8.310 0.071 0.050 0.587 86 S N -1.664 114.021 115.700 -0.024 0.000 2.840 86 S HA -0.085 4.205 4.470 -0.300 0.000 0.235 86 S C -1.175 173.420 174.600 -0.009 0.000 0.968 86 S CA 0.586 58.693 58.200 -0.154 0.000 1.026 86 S CB 0.092 63.184 63.200 -0.180 0.000 0.788 86 S HN 0.028 8.326 8.310 -0.020 0.000 0.487 87 D N -0.615 119.918 120.400 0.221 0.000 2.788 87 D HA 0.173 5.097 4.640 0.474 0.000 0.247 87 D C -0.365 176.157 176.300 0.370 0.000 1.236 87 D CA -0.673 53.537 54.000 0.350 0.000 0.898 87 D CB 2.577 43.477 40.800 0.167 0.000 1.401 87 D HN -0.683 7.641 8.370 0.176 0.151 0.549 88 I N 0.757 121.527 120.570 0.334 0.000 3.291 88 I HA 0.065 4.267 4.170 0.055 0.000 0.279 88 I C 0.572 176.702 176.117 0.022 0.000 1.294 88 I CA 0.770 62.086 61.300 0.026 0.000 1.428 88 I CB -0.577 37.201 38.000 -0.370 0.000 1.070 88 I HN 0.323 8.774 8.210 0.402 0.000 0.478 89 T N 3.827 118.420 114.554 0.065 0.000 2.635 89 T HA -0.480 3.374 4.350 -0.826 0.000 0.267 89 T C 1.320 175.890 174.700 -0.215 0.000 1.040 89 T CA 5.164 67.097 62.100 -0.277 0.000 1.156 89 T CB -0.969 67.803 68.868 -0.160 0.000 0.863 89 T HN -0.148 8.455 8.240 0.196 -0.245 0.430 90 A N -0.003 122.770 122.820 -0.079 0.000 1.855 90 A HA -0.184 4.090 4.320 -0.078 0.000 0.215 90 A C 2.054 179.609 177.584 -0.049 0.000 1.191 90 A CA 3.111 55.115 52.037 -0.054 0.000 0.613 90 A CB -1.014 17.986 19.000 0.000 0.000 0.829 90 A HN -0.192 7.946 8.150 -0.020 0.000 0.442 91 S N -1.543 114.147 115.700 -0.017 0.000 2.399 91 S HA -0.300 4.187 4.470 0.030 0.000 0.231 91 S C 2.016 176.575 174.600 -0.067 0.000 1.022 91 S CA 3.830 62.028 58.200 -0.005 0.000 0.983 91 S CB 0.017 63.232 63.200 0.026 0.000 0.803 91 S HN -0.066 8.249 8.310 0.009 0.000 0.480 92 V N 1.812 121.641 119.914 -0.142 0.000 2.379 92 V HA -0.368 3.637 4.120 -0.191 0.000 0.243 92 V C 0.839 176.779 176.094 -0.257 0.000 1.035 92 V CA 3.725 65.888 62.300 -0.228 0.000 1.035 92 V CB 0.022 31.660 31.823 -0.308 0.000 0.673 92 V HN 0.340 8.320 8.190 -0.140 0.125 0.457 93 N N 1.011 119.556 118.700 -0.259 0.000 2.094 93 N HA -0.446 4.134 4.740 -0.268 0.000 0.191 93 N C 1.528 176.944 175.510 -0.157 0.000 1.023 93 N CA 3.760 56.678 53.050 -0.221 0.000 0.857 93 N CB -0.709 37.667 38.487 -0.185 0.000 1.013 93 N HN 0.209 8.319 8.380 -0.265 0.111 0.426 94 c N 0.064 118.586 118.600 -0.131 0.000 2.432 94 c HA -0.152 4.315 4.570 -0.172 0.000 0.277 94 c C 2.355 176.321 174.090 -0.207 0.000 1.249 94 c CA 3.490 59.723 56.329 -0.160 0.000 1.725 94 c CB -2.457 39.994 42.510 -0.097 0.000 2.028 94 c HN -0.308 7.850 8.230 -0.115 0.003 0.477 95 A N -0.061 122.713 122.820 -0.077 0.000 1.969 95 A HA -0.412 3.975 4.320 0.111 0.000 0.218 95 A C 1.605 179.259 177.584 0.116 0.000 1.169 95 A CA 3.001 55.104 52.037 0.109 0.000 0.635 95 A CB -0.902 18.252 19.000 0.257 0.000 0.810 95 A HN -0.313 7.733 8.150 -0.068 0.063 0.445 96 K N -2.624 117.748 120.400 -0.045 0.000 2.113 96 K HA -0.468 3.870 4.320 0.029 0.000 0.208 96 K C 2.206 178.926 176.600 0.199 0.000 1.047 96 K CA 3.847 60.142 56.287 0.012 0.000 0.928 96 K CB -0.330 32.038 32.500 -0.221 0.000 0.716 96 K HN 0.784 8.717 8.250 -0.137 0.235 0.446 97 K N -2.090 118.313 120.400 0.004 0.000 2.167 97 K HA -0.178 4.156 4.320 0.023 0.000 0.203 97 K C 2.016 178.548 176.600 -0.113 0.000 1.052 97 K CA 1.964 58.215 56.287 -0.059 0.000 0.956 97 K CB -0.197 32.201 32.500 -0.169 0.000 0.735 97 K HN -0.745 7.329 8.250 -0.077 0.130 0.451 98 I N 0.307 120.777 120.570 -0.167 0.000 2.142 98 I HA -0.482 3.518 4.170 -0.285 0.000 0.240 98 I C 1.616 177.750 176.117 0.028 0.000 1.078 98 I CA 4.115 65.324 61.300 -0.152 0.000 1.343 98 I CB 0.179 38.139 38.000 -0.068 0.000 1.046 98 I HN -0.398 7.561 8.210 -0.143 0.165 0.405 99 V N -2.339 117.708 119.914 0.222 0.000 2.809 99 V HA -0.203 4.197 4.120 0.173 -0.177 0.256 99 V C 2.283 178.504 176.094 0.211 0.000 1.080 99 V CA 1.700 64.181 62.300 0.302 0.000 1.102 99 V CB 0.215 32.452 31.823 0.690 0.000 0.705 99 V HN 0.436 8.709 8.190 0.322 0.109 0.475 100 S N -1.595 114.205 115.700 0.167 0.000 2.528 100 S HA -0.116 4.385 4.470 0.052 0.000 0.219 100 S C 1.312 175.946 174.600 0.056 0.000 0.985 100 S CA 1.854 60.102 58.200 0.081 0.000 0.914 100 S CB -0.352 62.889 63.200 0.068 0.000 0.776 100 S HN -0.601 7.671 8.310 0.180 0.146 0.526 101 D N -0.796 119.643 120.400 0.064 0.000 2.349 101 D HA -0.060 4.627 4.640 0.078 0.000 0.224 101 D C 0.491 176.834 176.300 0.072 0.000 1.029 101 D CA 0.602 54.651 54.000 0.082 0.000 0.879 101 D CB 0.631 41.513 40.800 0.137 0.000 0.906 101 D HN -0.476 7.751 8.370 0.065 0.181 0.528 102 G N -0.915 107.917 108.800 0.053 0.000 2.796 102 G HA2 -0.291 3.692 3.960 0.038 0.000 0.198 102 G HA3 -0.291 3.687 3.960 0.031 0.000 0.198 102 G C -0.572 174.342 174.900 0.025 0.000 1.062 102 G CA -0.140 44.983 45.100 0.037 0.000 0.752 102 G HN -0.660 7.598 8.290 0.059 0.067 0.487 103 N N 4.570 123.268 118.700 -0.003 0.000 2.420 103 N HA 0.140 4.854 4.740 -0.044 0.000 0.249 103 N C -0.096 175.349 175.510 -0.109 0.000 1.033 103 N CA -0.277 52.729 53.050 -0.073 0.000 0.944 103 N CB 0.348 38.748 38.487 -0.146 0.000 1.113 103 N HN -0.372 8.014 8.380 0.010 0.000 0.502 104 G N 3.729 112.514 108.800 -0.024 0.000 3.107 104 G HA2 -0.109 4.074 3.960 0.371 0.000 0.155 104 G HA3 -0.109 3.932 3.960 0.134 0.000 0.155 104 G C 0.576 175.251 174.900 -0.375 0.000 1.875 104 G CA 0.694 45.793 45.100 -0.001 0.000 1.004 104 G HN 0.232 8.538 8.290 0.028 0.000 0.480 105 M N -1.984 116.994 119.600 -1.037 0.000 2.630 105 M HA -0.114 4.229 4.480 -0.230 0.000 0.254 105 M C -0.041 175.850 176.300 -0.683 0.000 1.092 105 M CA 0.635 55.271 55.300 -1.107 0.000 1.087 105 M CB -1.055 29.976 32.600 -2.614 0.000 1.453 105 M HN 0.061 7.290 8.290 -1.769 0.000 0.509 106 N N -3.659 114.736 118.700 -0.508 0.000 2.354 106 N HA -0.209 4.637 4.740 0.176 0.000 0.179 106 N C 0.821 176.281 175.510 -0.083 0.000 1.021 106 N CA 1.936 54.931 53.050 -0.093 0.000 0.887 106 N CB -0.201 38.271 38.487 -0.025 0.000 0.974 106 N HN -0.194 7.789 8.380 -0.537 0.075 0.437 107 A N -0.269 122.366 122.820 -0.308 0.000 1.892 107 A HA -0.170 3.969 4.320 -0.301 0.000 0.218 107 A C 0.311 177.674 177.584 -0.368 0.000 1.188 107 A CA 1.739 53.493 52.037 -0.473 0.000 0.631 107 A CB -0.138 18.305 19.000 -0.928 0.000 0.822 107 A HN -0.749 7.037 8.150 -0.394 0.127 0.447 108 W N -3.585 117.715 121.300 -0.001 0.000 2.238 108 W HA 0.025 4.706 4.660 0.035 0.000 0.321 108 W C 0.777 177.340 176.519 0.073 0.000 1.293 108 W CA -0.288 57.078 57.345 0.036 0.000 1.204 108 W CB 0.416 29.896 29.460 0.033 0.000 1.167 108 W HN -0.231 7.864 8.180 -0.142 0.000 0.553 109 V N 3.098 123.156 119.914 0.240 0.000 3.041 109 V HA -0.285 3.913 4.120 0.129 0.000 0.260 109 V C 0.067 176.237 176.094 0.126 0.000 1.105 109 V CA 1.661 64.047 62.300 0.144 0.000 1.125 109 V CB -0.731 31.137 31.823 0.074 0.000 0.730 109 V HN 0.399 8.728 8.190 0.231 0.000 0.479 110 A N -1.781 121.142 122.820 0.173 0.000 1.968 110 A HA 0.019 4.353 4.320 0.023 0.000 0.217 110 A C 1.600 179.226 177.584 0.071 0.000 1.169 110 A CA 2.311 54.409 52.037 0.102 0.000 0.638 110 A CB -0.392 18.694 19.000 0.143 0.000 0.812 110 A HN -0.317 7.940 8.150 0.246 0.041 0.446 111 W N -2.249 119.051 121.300 -0.000 0.000 2.523 111 W HA -0.168 4.455 4.660 -0.063 0.000 0.278 111 W C -0.494 175.990 176.519 -0.057 0.000 1.236 111 W CA 2.181 59.503 57.345 -0.038 0.000 1.306 111 W CB 0.667 30.111 29.460 -0.025 0.000 1.101 111 W HN -0.646 7.756 8.180 0.401 0.019 0.577 112 R N -3.896 116.735 120.500 0.218 0.000 4.031 112 R HA -0.002 4.252 4.340 -0.143 0.000 0.269 112 R C -1.310 174.936 176.300 -0.089 0.000 1.668 112 R CA 1.115 57.246 56.100 0.052 0.000 1.432 112 R CB -1.141 29.286 30.300 0.211 0.000 1.374 112 R HN -0.733 7.649 8.270 0.325 0.084 0.681 113 N N -0.458 118.113 118.700 -0.216 0.000 2.500 113 N HA 0.049 4.688 4.740 -0.169 0.000 0.292 113 N C 0.180 175.485 175.510 -0.341 0.000 0.775 113 N CA 1.426 54.341 53.050 -0.225 0.000 1.052 113 N CB 2.412 40.791 38.487 -0.179 0.000 1.737 113 N HN -0.326 7.770 8.380 -0.314 0.097 1.182 114 R N -1.458 118.721 120.500 -0.535 0.000 2.508 114 R HA 0.291 4.362 4.340 -0.449 0.000 0.300 114 R C -0.359 175.629 176.300 -0.520 0.000 0.970 114 R CA -0.708 54.983 56.100 -0.682 0.000 1.102 114 R CB 0.856 30.250 30.300 -1.509 0.000 1.246 114 R HN -0.396 7.545 8.270 -0.549 0.000 0.539 115 c N -0.783 117.501 118.600 -0.526 0.000 2.341 115 c HA 0.248 4.710 4.570 -0.178 0.000 0.372 115 c C -0.603 173.076 174.090 -0.686 0.000 1.430 115 c CA 0.124 56.140 56.329 -0.521 0.000 2.316 115 c CB 1.945 43.993 42.510 -0.769 0.000 2.416 115 c HN -0.483 7.350 8.230 -0.570 0.055 0.583 116 K N 1.755 121.548 120.400 -1.011 0.000 2.163 116 K HA -0.308 3.470 4.320 -0.903 0.000 0.267 116 K C 0.356 176.731 176.600 -0.375 0.000 1.098 116 K CA 2.073 57.863 56.287 -0.828 0.000 1.062 116 K CB -1.278 30.762 32.500 -0.766 0.000 1.033 116 K HN -0.076 7.530 8.250 -1.073 0.000 0.396 117 G N 5.334 113.983 108.800 -0.253 0.000 2.507 117 G HA2 -0.091 3.782 3.960 -0.146 0.000 0.205 117 G HA3 -0.091 3.807 3.960 -0.105 0.000 0.205 117 G C -0.297 174.538 174.900 -0.110 0.000 0.996 117 G CA -0.200 44.813 45.100 -0.145 0.000 0.776 117 G HN 0.033 8.170 8.290 -0.255 0.000 0.532 118 T N -0.209 114.281 114.554 -0.107 0.000 2.688 118 T HA 0.258 4.553 4.350 -0.092 0.000 0.249 118 T C -0.821 173.833 174.700 -0.076 0.000 0.944 118 T CA -1.241 60.809 62.100 -0.084 0.000 1.058 118 T CB 1.705 70.547 68.868 -0.042 0.000 1.673 118 T HN -0.420 7.738 8.240 -0.137 0.000 0.565 119 D N 1.820 122.133 120.400 -0.144 0.000 2.420 119 D HA 0.268 4.886 4.640 -0.037 0.000 0.255 119 D C 0.432 176.654 176.300 -0.131 0.000 1.185 119 D CA -0.846 53.078 54.000 -0.125 0.000 0.904 119 D CB 0.742 41.443 40.800 -0.165 0.000 1.102 119 D HN -0.018 8.206 8.370 -0.244 0.000 0.534 120 V N 1.643 121.632 119.914 0.125 0.000 2.453 120 V HA -0.266 4.290 4.120 0.726 0.000 0.247 120 V C 1.065 177.311 176.094 0.254 0.000 1.048 120 V CA 2.281 64.800 62.300 0.365 0.000 1.049 120 V CB 0.140 32.197 31.823 0.390 0.000 0.672 120 V HN 0.345 8.614 8.190 0.132 0.000 0.457 121 Q N -0.837 119.049 119.800 0.144 0.000 2.297 121 Q HA -0.297 4.131 4.340 0.146 0.000 0.208 121 Q C 0.635 176.682 176.000 0.078 0.000 0.981 121 Q CA 2.920 58.792 55.803 0.114 0.000 0.876 121 Q CB -0.721 28.064 28.738 0.078 0.000 0.921 121 Q HN 0.217 8.558 8.270 0.118 0.000 0.446 122 A N -3.958 118.867 122.820 0.008 0.000 2.095 122 A HA 0.066 4.379 4.320 -0.012 0.000 0.212 122 A C 1.925 179.509 177.584 -0.001 0.000 1.162 122 A CA 0.580 52.584 52.037 -0.055 0.000 0.753 122 A CB -0.411 18.481 19.000 -0.179 0.000 0.840 122 A HN -0.732 7.242 8.150 -0.027 0.160 0.468 123 W N -1.585 119.759 121.300 0.074 0.000 2.468 123 W HA -0.304 4.405 4.660 0.082 0.000 0.262 123 W C -0.409 176.155 176.519 0.076 0.000 1.241 123 W CA 2.405 59.803 57.345 0.088 0.000 1.232 123 W CB 0.410 29.944 29.460 0.122 0.000 1.124 123 W HN -0.420 7.667 8.180 0.146 0.180 0.597 124 I N -11.779 108.961 120.570 0.283 0.000 4.050 124 I HA 0.289 4.564 4.170 0.176 0.000 0.327 124 I C -0.841 175.344 176.117 0.113 0.000 1.473 124 I CA -1.979 59.427 61.300 0.178 0.000 1.124 124 I CB 0.407 38.495 38.000 0.147 0.000 1.129 124 I HN -1.021 7.271 8.210 0.239 0.062 0.428 125 R N 3.254 123.813 120.500 0.098 0.000 2.488 125 R HA -0.274 4.096 4.340 0.051 0.000 0.306 125 R C 0.373 176.703 176.300 0.050 0.000 1.271 125 R CA 1.850 57.983 56.100 0.055 0.000 1.022 125 R CB -1.496 28.819 30.300 0.025 0.000 1.054 125 R HN -0.192 7.940 8.270 0.115 0.207 0.500 126 G N 2.770 111.597 108.800 0.045 0.000 2.318 126 G HA2 -0.260 3.723 3.960 0.038 0.000 0.172 126 G HA3 -0.260 3.717 3.960 0.028 0.000 0.172 126 G C -1.036 173.884 174.900 0.034 0.000 1.002 126 G CA -0.517 44.605 45.100 0.036 0.000 0.697 126 G HN 0.062 8.379 8.290 0.045 0.000 0.483 127 c N -0.317 118.307 118.600 0.039 0.000 2.711 127 c HA 0.028 4.611 4.570 0.022 0.000 0.306 127 c C -0.247 173.853 174.090 0.016 0.000 1.479 127 c CA 0.217 56.561 56.329 0.026 0.000 2.271 127 c CB 0.171 42.697 42.510 0.027 0.000 2.155 127 c HN -0.305 7.955 8.230 0.050 0.000 0.674 128 R N 0.851 121.354 120.500 0.004 0.000 2.539 128 R HA 0.326 4.669 4.340 0.005 0.000 0.295 128 R C -1.845 174.449 176.300 -0.010 0.000 1.138 128 R CA -0.119 55.981 56.100 0.000 0.000 0.936 128 R CB 0.713 31.013 30.300 -0.001 0.000 1.182 128 R HN 0.267 8.536 8.270 -0.002 0.000 0.459 129 L N 0.000 121.218 121.223 -0.008 0.000 2.949 129 L HA 0.000 4.324 4.340 -0.026 0.000 0.249 129 L CA 0.000 54.829 54.840 -0.019 0.000 0.813 129 L CB 0.000 42.044 42.059 -0.025 0.000 0.961 129 L HN 0.000 8.230 8.230 -0.000 0.000 0.502