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 2nwd_1_X DATA FIRST_RESID 1 DATA SEQUENCE KVFERcELAR TLKRLGMDGY RGISLANWMc LAKWESGYNT RATNYNAGDR DATA SEQUENCE STDYGIFQIN SRYWcNDGKT PGAVNAcHLS cSALLQDNIA DAVAcAKRVV DATA SEQUENCE RDPQGIRAWV AWRNRcQNRD VRQYVQGcGV 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 4.266 4.320 -0.089 0.000 0.191 1 K C 0.000 176.570 176.600 -0.050 0.000 0.988 1 K CA 0.000 56.224 56.287 -0.106 0.000 0.838 1 K CB 0.000 32.345 32.500 -0.258 0.000 1.064 2 V N 1.746 121.629 119.914 -0.052 0.000 2.333 2 V HA 0.383 4.761 4.120 0.124 -0.183 0.274 2 V C -0.477 175.630 176.094 0.021 0.000 1.028 2 V CA -1.064 61.264 62.300 0.046 0.000 0.851 2 V CB -0.293 31.557 31.823 0.045 0.000 1.000 2 V HN 0.356 8.501 8.190 -0.075 0.000 0.456 3 F N 8.708 128.666 119.950 0.015 0.000 2.459 3 F HA -0.184 4.454 4.527 -0.052 -0.142 0.346 3 F C 0.718 176.501 175.800 -0.028 0.000 1.128 3 F CA 0.897 58.870 58.000 -0.046 0.000 1.268 3 F CB 1.284 40.199 39.000 -0.141 0.000 1.161 3 F HN 0.091 8.678 8.300 0.478 0.000 0.583 4 E N 2.087 122.357 120.200 0.116 0.000 2.373 4 E HA 0.091 4.497 4.350 0.093 0.000 0.263 4 E C 0.280 176.844 176.600 -0.061 0.000 1.073 4 E CA -0.441 55.993 56.400 0.058 0.000 0.894 4 E CB 1.012 30.730 29.700 0.030 0.000 1.008 4 E HN -0.149 8.493 8.360 0.075 -0.237 0.420 5 R N 3.386 123.829 120.500 -0.095 0.000 2.122 5 R HA -0.399 3.571 4.340 -0.616 0.000 0.236 5 R C 1.712 177.911 176.300 -0.168 0.000 1.129 5 R CA 4.613 60.573 56.100 -0.233 0.000 0.925 5 R CB -0.236 30.073 30.300 0.014 0.000 0.850 5 R HN 0.646 8.924 8.270 0.013 0.000 0.431 6 c N -3.992 114.573 118.600 -0.059 0.000 2.450 6 c HA -0.195 4.352 4.570 -0.038 0.000 0.279 6 c C 2.042 176.115 174.090 -0.029 0.000 1.335 6 c CA 2.312 58.621 56.329 -0.034 0.000 1.749 6 c CB -0.464 42.042 42.510 -0.007 0.000 1.963 6 c HN 0.095 8.307 8.230 -0.031 0.000 0.501 7 E N 1.353 121.552 120.200 -0.001 0.000 2.058 7 E HA -0.389 3.987 4.350 0.045 0.000 0.194 7 E C 1.521 178.153 176.600 0.054 0.000 0.997 7 E CA 3.180 59.616 56.400 0.059 0.000 0.801 7 E CB -0.328 29.439 29.700 0.112 0.000 0.746 7 E HN -0.171 8.190 8.360 0.002 0.000 0.450 8 L N -0.702 120.489 121.223 -0.053 0.000 2.046 8 L HA -0.315 3.722 4.340 -0.506 0.000 0.208 8 L C 1.450 178.161 176.870 -0.266 0.000 1.077 8 L CA 3.043 57.663 54.840 -0.367 0.000 0.747 8 L CB -0.557 41.098 42.059 -0.673 0.000 0.896 8 L HN -0.283 7.903 8.230 -0.072 0.000 0.432 9 A N -0.857 121.862 122.820 -0.168 0.000 1.883 9 A HA -0.368 3.903 4.320 -0.081 0.000 0.217 9 A C 2.241 179.790 177.584 -0.058 0.000 1.186 9 A CA 3.175 55.162 52.037 -0.084 0.000 0.624 9 A CB -0.746 18.236 19.000 -0.029 0.000 0.822 9 A HN -0.269 7.783 8.150 -0.163 0.000 0.444 10 R N -2.846 117.629 120.500 -0.042 0.000 2.092 10 R HA -0.297 4.033 4.340 -0.015 0.000 0.231 10 R C 2.703 178.983 176.300 -0.034 0.000 1.119 10 R CA 3.428 59.515 56.100 -0.022 0.000 0.970 10 R CB -0.114 30.184 30.300 -0.004 0.000 0.864 10 R HN -0.395 7.852 8.270 -0.038 0.000 0.440 11 T N 3.093 117.617 114.554 -0.050 0.000 2.708 11 T HA -0.328 4.012 4.350 -0.018 0.000 0.266 11 T C 2.088 176.723 174.700 -0.107 0.000 1.037 11 T CA 4.755 66.821 62.100 -0.057 0.000 1.146 11 T CB -0.324 68.513 68.868 -0.052 0.000 0.865 11 T HN -0.363 7.844 8.240 -0.054 0.000 0.435 12 L N 0.016 121.147 121.223 -0.154 0.000 2.046 12 L HA -0.391 3.831 4.340 -0.196 0.000 0.208 12 L C 1.538 178.339 176.870 -0.115 0.000 1.077 12 L CA 3.070 57.810 54.840 -0.166 0.000 0.747 12 L CB -0.528 41.432 42.059 -0.165 0.000 0.896 12 L HN 0.076 8.200 8.230 -0.176 0.000 0.432 13 K N -0.626 119.737 120.400 -0.062 0.000 2.026 13 K HA -0.352 3.959 4.320 -0.015 0.000 0.208 13 K C 2.909 179.491 176.600 -0.030 0.000 1.048 13 K CA 3.310 59.581 56.287 -0.026 0.000 0.929 13 K CB -0.302 32.197 32.500 -0.001 0.000 0.713 13 K HN -0.343 7.873 8.250 -0.057 0.000 0.439 14 R N -1.462 119.018 120.500 -0.033 0.000 2.152 14 R HA -0.229 4.101 4.340 -0.016 0.000 0.232 14 R C 1.929 178.205 176.300 -0.040 0.000 1.117 14 R CA 2.576 58.660 56.100 -0.026 0.000 0.981 14 R CB -0.082 30.206 30.300 -0.019 0.000 0.870 14 R HN -0.385 7.864 8.270 -0.035 0.000 0.451 15 L N -3.486 117.694 121.223 -0.071 0.000 2.612 15 L HA 0.099 4.393 4.340 -0.076 0.000 0.230 15 L C -0.443 176.357 176.870 -0.116 0.000 1.140 15 L CA -0.223 54.558 54.840 -0.098 0.000 0.896 15 L CB -0.199 41.782 42.059 -0.130 0.000 1.065 15 L HN -0.608 7.449 8.230 -0.083 0.123 0.447 16 G N -1.552 107.203 108.800 -0.075 0.000 2.137 16 G HA2 -0.414 3.549 3.960 0.005 0.000 0.237 16 G HA3 -0.414 3.529 3.960 -0.029 0.000 0.237 16 G C 0.217 175.095 174.900 -0.036 0.000 1.002 16 G CA 0.691 45.771 45.100 -0.034 0.000 0.702 16 G HN -0.274 7.818 8.290 -0.058 0.163 0.515 17 M N -2.436 117.095 119.600 -0.116 0.000 2.447 17 M HA -0.109 4.262 4.480 -0.181 0.000 0.264 17 M C 0.179 176.580 176.300 0.169 0.000 1.095 17 M CA 0.689 55.892 55.300 -0.162 0.000 1.125 17 M CB -0.187 32.067 32.600 -0.577 0.000 1.389 17 M HN -0.666 7.544 8.290 -0.134 0.000 0.459 18 D N -0.576 119.908 120.400 0.141 0.000 2.342 18 D HA -0.158 4.630 4.640 0.246 0.000 0.260 18 D C 1.260 177.673 176.300 0.188 0.000 1.278 18 D CA 1.521 55.632 54.000 0.184 0.000 0.910 18 D CB -0.749 40.119 40.800 0.113 0.000 1.079 18 D HN -0.395 8.022 8.370 0.080 0.000 0.496 19 G N 5.680 114.611 108.800 0.218 0.000 2.159 19 G HA2 -0.416 3.652 3.960 0.107 0.000 0.256 19 G HA3 -0.416 3.605 3.960 0.102 0.000 0.256 19 G C -0.681 174.314 174.900 0.158 0.000 0.977 19 G CA 0.003 45.189 45.100 0.144 0.000 0.652 19 G HN 0.294 8.738 8.290 0.257 0.000 0.531 20 Y N 3.904 124.317 120.300 0.187 0.000 2.650 20 Y HA -0.299 4.311 4.550 0.101 0.000 0.331 20 Y C 0.408 176.389 175.900 0.134 0.000 1.165 20 Y CA 1.503 59.700 58.100 0.163 0.000 1.473 20 Y CB 0.407 38.985 38.460 0.196 0.000 1.224 20 Y HN -0.798 7.743 8.280 0.497 0.037 0.533 21 R N 5.222 125.403 120.500 -0.532 0.000 3.405 21 R HA -0.366 3.777 4.340 -0.327 0.000 0.258 21 R C -0.445 175.767 176.300 -0.146 0.000 1.030 21 R CA 0.788 56.686 56.100 -0.338 0.000 0.691 21 R CB -3.061 27.052 30.300 -0.312 0.000 1.093 21 R HN 0.775 8.616 8.270 -0.716 0.000 0.448 22 G N -5.594 103.147 108.800 -0.097 0.000 2.159 22 G HA2 -0.371 3.561 3.960 -0.046 0.000 0.256 22 G HA3 -0.371 3.541 3.960 -0.080 0.000 0.256 22 G C -0.640 174.218 174.900 -0.071 0.000 0.977 22 G CA 0.024 45.084 45.100 -0.067 0.000 0.652 22 G HN -0.099 8.123 8.290 -0.092 0.012 0.531 23 I N 2.801 123.332 120.570 -0.066 0.000 2.307 23 I HA 0.113 4.136 4.170 -0.246 0.000 0.289 23 I C -0.660 175.416 176.117 -0.069 0.000 1.021 23 I CA -1.295 59.879 61.300 -0.209 0.000 1.224 23 I CB 0.594 38.264 38.000 -0.550 0.000 1.376 23 I HN -0.556 7.512 8.210 0.005 0.145 0.470 24 S N 6.712 122.380 115.700 -0.053 0.000 2.576 24 S HA 0.044 4.572 4.470 0.096 0.000 0.272 24 S C 1.211 175.888 174.600 0.128 0.000 1.352 24 S CA -0.578 57.656 58.200 0.057 0.000 1.021 24 S CB 1.288 64.521 63.200 0.056 0.000 0.887 24 S HN 0.300 8.566 8.310 -0.072 0.000 0.542 25 L N 2.207 123.558 121.223 0.214 0.000 2.043 25 L HA -0.374 4.231 4.340 0.442 0.000 0.212 25 L C 1.921 178.921 176.870 0.217 0.000 1.075 25 L CA 3.606 58.611 54.840 0.274 0.000 0.752 25 L CB -0.447 41.716 42.059 0.173 0.000 0.891 25 L HN -0.044 8.536 8.230 0.178 -0.243 0.432 26 A N -3.266 119.650 122.820 0.160 0.000 1.972 26 A HA -0.406 4.034 4.320 0.200 0.000 0.219 26 A C 2.116 179.769 177.584 0.115 0.000 1.169 26 A CA 3.035 55.174 52.037 0.171 0.000 0.635 26 A CB -0.977 18.135 19.000 0.187 0.000 0.810 26 A HN 0.264 8.499 8.150 0.143 0.000 0.446 27 N N -1.187 117.560 118.700 0.078 0.000 2.142 27 N HA -0.269 4.568 4.740 0.162 0.000 0.186 27 N C 2.084 177.593 175.510 -0.001 0.000 1.023 27 N CA 3.564 56.652 53.050 0.063 0.000 0.852 27 N CB -0.118 38.354 38.487 -0.024 0.000 0.998 27 N HN -0.729 7.688 8.380 0.061 0.000 0.424 28 W N -0.277 121.017 121.300 -0.011 0.000 2.363 28 W HA -0.366 4.208 4.660 -0.142 0.000 0.296 28 W C 1.869 178.395 176.519 0.013 0.000 1.212 28 W CA 3.265 60.576 57.345 -0.055 0.000 1.260 28 W CB -0.284 29.140 29.460 -0.059 0.000 1.131 28 W HN -0.557 7.660 8.180 0.062 0.000 0.530 29 M N -1.648 118.086 119.600 0.223 0.000 2.086 29 M HA -0.366 4.217 4.480 0.173 0.000 0.261 29 M C 2.283 178.540 176.300 -0.072 0.000 1.067 29 M CA 2.839 58.214 55.300 0.124 0.000 1.116 29 M CB -0.964 31.719 32.600 0.138 0.000 1.348 29 M HN -0.078 8.345 8.290 0.221 0.000 0.407 30 c N -0.360 118.012 118.600 -0.379 0.000 2.429 30 c HA -0.360 3.500 4.570 -1.185 0.000 0.277 30 c C 1.506 175.574 174.090 -0.037 0.000 1.262 30 c CA 4.002 59.970 56.329 -0.600 0.000 1.733 30 c CB -0.543 41.689 42.510 -0.463 0.000 2.010 30 c HN -0.063 8.001 8.230 -0.276 0.000 0.483 31 L N 0.890 122.165 121.223 0.086 0.000 1.989 31 L HA -0.312 4.122 4.340 0.157 0.000 0.211 31 L C 1.072 178.010 176.870 0.113 0.000 1.071 31 L CA 3.367 58.274 54.840 0.111 0.000 0.749 31 L CB -0.337 41.690 42.059 -0.054 0.000 0.890 31 L HN -0.318 7.969 8.230 0.094 0.000 0.431 32 A N -2.177 120.745 122.820 0.171 0.000 1.933 32 A HA -0.244 4.261 4.320 0.068 -0.144 0.218 32 A C 2.074 179.634 177.584 -0.040 0.000 1.175 32 A CA 2.729 54.832 52.037 0.110 0.000 0.628 32 A CB -0.716 18.362 19.000 0.130 0.000 0.814 32 A HN -0.190 8.095 8.150 0.225 0.000 0.444 33 K N -0.404 119.897 120.400 -0.165 0.000 2.009 33 K HA -0.239 3.361 4.320 -1.199 0.000 0.210 33 K C 2.475 178.751 176.600 -0.541 0.000 1.049 33 K CA 2.963 58.835 56.287 -0.693 0.000 0.929 33 K CB -0.281 31.836 32.500 -0.638 0.000 0.714 33 K HN -0.166 8.066 8.250 -0.031 0.000 0.440 34 W N -3.970 117.254 121.300 -0.127 0.000 2.576 34 W HA -0.079 4.539 4.660 -0.069 0.000 0.270 34 W C 1.608 178.110 176.519 -0.029 0.000 1.255 34 W CA 2.249 59.555 57.345 -0.066 0.000 1.314 34 W CB 0.193 29.626 29.460 -0.044 0.000 1.101 34 W HN -0.500 7.691 8.180 0.018 0.000 0.595 35 E N -3.323 116.974 120.200 0.161 0.000 2.046 35 E HA -0.111 4.350 4.350 0.186 0.000 0.190 35 E C 1.026 177.672 176.600 0.076 0.000 0.982 35 E CA 2.175 58.662 56.400 0.144 0.000 0.800 35 E CB 0.731 30.521 29.700 0.149 0.000 0.756 35 E HN -0.381 8.057 8.360 0.129 0.000 0.449 36 S N -6.089 109.607 115.700 -0.008 0.000 2.817 36 S HA 0.217 4.687 4.470 0.001 0.000 0.262 36 S C 0.735 175.277 174.600 -0.097 0.000 1.051 36 S CA -0.086 58.098 58.200 -0.027 0.000 1.185 36 S CB 2.174 65.368 63.200 -0.010 0.000 1.152 36 S HN -0.517 7.763 8.310 -0.051 0.000 0.653 37 G N 3.137 111.791 108.800 -0.244 0.000 2.273 37 G HA2 -0.311 3.351 3.960 -0.634 0.000 0.280 37 G HA3 -0.311 3.487 3.960 -0.271 0.000 0.280 37 G C 0.049 174.804 174.900 -0.241 0.000 1.047 37 G CA 0.883 45.752 45.100 -0.385 0.000 0.869 37 G HN -0.237 7.782 8.290 -0.284 0.101 0.502 38 Y N -7.604 112.658 120.300 -0.063 0.000 4.032 38 Y HA -0.494 3.993 4.550 -0.106 0.000 0.230 38 Y C -1.673 174.256 175.900 0.048 0.000 1.202 38 Y CA 0.107 58.187 58.100 -0.034 0.000 1.878 38 Y CB -3.445 35.029 38.460 0.023 0.000 1.586 38 Y HN -0.519 7.649 8.280 -0.164 0.014 0.673 39 N N -0.268 118.503 118.700 0.118 0.000 2.469 39 N HA 0.448 5.431 4.740 0.120 -0.171 0.253 39 N C 1.260 176.811 175.510 0.069 0.000 0.970 39 N CA -2.020 51.086 53.050 0.093 0.000 0.940 39 N CB 1.897 40.410 38.487 0.043 0.000 1.128 39 N HN -0.854 7.559 8.380 0.055 0.000 0.503 40 T N 5.377 119.987 114.554 0.094 0.000 3.035 40 T HA -0.181 4.269 4.350 0.040 -0.076 0.268 40 T C 0.702 175.444 174.700 0.069 0.000 1.109 40 T CA 2.705 64.848 62.100 0.072 0.000 1.119 40 T CB 0.186 69.116 68.868 0.103 0.000 0.900 40 T HN 0.522 8.834 8.240 0.121 0.000 0.503 41 R N 0.090 120.625 120.500 0.060 0.000 2.334 41 R HA 0.134 4.521 4.340 0.078 0.000 0.216 41 R C -0.179 176.159 176.300 0.062 0.000 0.905 41 R CA -1.213 54.925 56.100 0.063 0.000 1.064 41 R CB -0.102 30.224 30.300 0.043 0.000 1.046 41 R HN -0.577 7.969 8.270 0.052 -0.245 0.508 42 A N 3.492 126.345 122.820 0.054 0.000 2.531 42 A HA -0.076 4.262 4.320 0.031 0.000 0.236 42 A C -1.518 176.085 177.584 0.032 0.000 1.062 42 A CA 1.110 53.172 52.037 0.040 0.000 0.760 42 A CB 0.186 19.209 19.000 0.038 0.000 0.995 42 A HN -0.515 7.612 8.150 0.054 0.056 0.501 43 T N -3.355 111.197 114.554 -0.002 0.000 2.923 43 T HA 0.806 5.301 4.350 -0.125 -0.220 0.311 43 T C -1.046 173.626 174.700 -0.046 0.000 1.183 43 T CA -2.479 59.573 62.100 -0.080 0.000 1.020 43 T CB 3.129 71.923 68.868 -0.123 0.000 1.165 43 T HN -0.304 7.939 8.240 0.005 0.000 0.482 44 N N 2.928 121.585 118.700 -0.073 0.000 2.500 44 N HA 0.197 4.954 4.740 0.029 0.000 0.291 44 N C -2.192 173.334 175.510 0.027 0.000 1.092 44 N CA 0.233 53.285 53.050 0.002 0.000 0.890 44 N CB 2.710 41.210 38.487 0.021 0.000 1.466 44 N HN -0.024 8.268 8.380 -0.147 0.000 0.507 45 Y N 6.698 126.962 120.300 -0.060 0.000 2.335 45 Y HA 0.054 4.571 4.550 -0.055 0.000 0.331 45 Y C -1.036 174.859 175.900 -0.008 0.000 1.094 45 Y CA 0.070 58.146 58.100 -0.039 0.000 1.253 45 Y CB 0.669 39.115 38.460 -0.024 0.000 1.203 45 Y HN 0.278 8.675 8.280 0.196 0.000 0.508 46 N N 8.181 126.524 118.700 -0.596 0.000 2.589 46 N HA 0.139 4.686 4.740 -0.322 0.000 0.232 46 N C -0.793 174.206 175.510 -0.851 0.000 1.015 46 N CA -0.648 52.101 53.050 -0.501 0.000 0.931 46 N CB -0.018 38.319 38.487 -0.250 0.000 1.150 46 N HN 0.295 8.328 8.380 -0.579 0.000 0.512 47 A N 5.039 127.456 122.820 -0.672 0.000 2.019 47 A HA -0.155 3.784 4.320 -0.635 0.000 0.219 47 A C 1.326 178.787 177.584 -0.206 0.000 1.164 47 A CA 2.255 54.036 52.037 -0.426 0.000 0.644 47 A CB -0.381 18.595 19.000 -0.040 0.000 0.805 47 A HN 0.584 8.479 8.150 -0.425 0.000 0.449 48 G N -2.465 106.234 108.800 -0.168 0.000 2.422 48 G HA2 -0.185 3.742 3.960 -0.054 0.000 0.218 48 G HA3 -0.185 3.730 3.960 -0.074 0.000 0.218 48 G C 0.349 175.204 174.900 -0.075 0.000 1.146 48 G CA 1.230 46.279 45.100 -0.086 0.000 0.769 48 G HN 0.136 8.291 8.290 -0.183 0.025 0.547 49 D N -1.741 118.594 120.400 -0.110 0.000 2.503 49 D HA 0.100 4.720 4.640 -0.033 0.000 0.218 49 D C -0.422 175.852 176.300 -0.043 0.000 1.183 49 D CA -0.666 53.299 54.000 -0.059 0.000 0.827 49 D CB 0.927 41.704 40.800 -0.037 0.000 1.034 49 D HN -0.757 7.514 8.370 -0.164 0.000 0.510 50 R N -5.040 115.403 120.500 -0.095 0.000 3.963 50 R HA -0.493 3.903 4.340 0.092 0.000 0.394 50 R C -1.465 174.906 176.300 0.117 0.000 1.131 50 R CA 1.452 57.584 56.100 0.054 0.000 1.059 50 R CB -2.704 27.675 30.300 0.133 0.000 1.614 50 R HN -0.010 8.136 8.270 -0.207 0.000 0.546 51 S N -2.465 113.233 115.700 -0.002 0.000 2.713 51 S HA 0.453 5.015 4.470 0.153 0.000 0.283 51 S C -0.713 173.937 174.600 0.084 0.000 1.161 51 S CA -1.014 57.236 58.200 0.084 0.000 0.999 51 S CB 2.839 66.079 63.200 0.067 0.000 1.039 51 S HN -0.605 7.840 8.310 -0.093 -0.190 0.548 52 T N 2.138 116.788 114.554 0.160 0.000 2.893 52 T HA 0.574 5.103 4.350 0.018 -0.168 0.293 52 T C -1.528 173.165 174.700 -0.011 0.000 1.027 52 T CA -0.604 61.515 62.100 0.031 0.000 0.988 52 T CB 3.381 72.203 68.868 -0.077 0.000 1.043 52 T HN 0.095 8.471 8.240 0.227 0.000 0.461 53 D N 4.657 124.997 120.400 -0.100 0.000 2.198 53 D HA 0.377 5.298 4.640 0.182 -0.172 0.245 53 D C -1.163 175.053 176.300 -0.140 0.000 1.079 53 D CA -0.669 53.345 54.000 0.025 0.000 0.854 53 D CB 1.669 42.524 40.800 0.092 0.000 1.148 53 D HN 0.322 8.628 8.370 -0.108 0.000 0.456 54 Y N 1.092 121.495 120.300 0.171 0.000 2.376 54 Y HA 0.126 4.750 4.550 0.123 0.000 0.340 54 Y C 0.232 176.215 175.900 0.139 0.000 0.965 54 Y CA -0.881 57.304 58.100 0.141 0.000 1.078 54 Y CB 3.028 41.568 38.460 0.133 0.000 1.193 54 Y HN 0.122 8.716 8.280 0.412 -0.067 0.452 55 G N 4.733 113.669 108.800 0.225 0.000 2.632 55 G HA2 -0.426 3.822 3.960 0.118 0.000 0.224 55 G HA3 -0.426 3.789 3.960 0.156 -0.161 0.224 55 G C 0.023 174.961 174.900 0.064 0.000 1.341 55 G CA -0.054 45.132 45.100 0.144 0.000 0.880 55 G HN 0.540 8.938 8.290 0.179 0.000 0.566 56 I N 0.852 121.379 120.570 -0.071 0.000 2.493 56 I HA -0.233 4.005 4.170 -0.124 -0.142 0.254 56 I C 0.158 176.093 176.117 -0.303 0.000 1.160 56 I CA 1.970 63.121 61.300 -0.249 0.000 1.445 56 I CB 0.397 38.117 38.000 -0.466 0.000 1.086 56 I HN 0.510 8.667 8.210 -0.088 0.000 0.433 57 F N -4.883 115.109 119.950 0.070 0.000 2.695 57 F HA 0.048 4.544 4.527 -0.053 0.000 0.303 57 F C -1.334 174.617 175.800 0.251 0.000 1.091 57 F CA -1.711 56.323 58.000 0.057 0.000 1.300 57 F CB -0.220 38.809 39.000 0.048 0.000 1.071 57 F HN -0.296 7.980 8.300 -0.010 0.018 0.578 58 Q N -4.268 115.745 119.800 0.356 0.000 2.452 58 Q HA -0.422 4.159 4.340 0.269 -0.079 0.318 58 Q C -0.734 175.527 176.000 0.435 0.000 1.386 58 Q CA 1.110 57.115 55.803 0.338 0.000 0.872 58 Q CB -2.640 26.265 28.738 0.278 0.000 1.151 58 Q HN -0.399 7.900 8.270 0.259 0.126 0.417 59 I N -1.522 119.318 120.570 0.449 0.000 2.529 59 I HA -0.133 4.238 4.170 0.335 0.000 0.284 59 I C -0.403 175.959 176.117 0.409 0.000 1.082 59 I CA 0.118 61.649 61.300 0.385 0.000 1.406 59 I CB 0.973 39.168 38.000 0.325 0.000 1.405 59 I HN -0.675 7.797 8.210 0.437 0.000 0.548 60 N N 5.960 124.908 118.700 0.413 0.000 2.498 60 N HA 0.224 5.351 4.740 0.353 -0.175 0.287 60 N C 1.217 176.976 175.510 0.416 0.000 1.097 60 N CA -0.406 52.880 53.050 0.392 0.000 0.973 60 N CB 1.820 40.486 38.487 0.298 0.000 1.153 60 N HN 0.066 8.697 8.380 0.417 0.000 0.472 61 S N 5.396 121.311 115.700 0.358 0.000 2.481 61 S HA -0.152 4.579 4.470 0.250 -0.110 0.231 61 S C 0.933 175.618 174.600 0.142 0.000 0.996 61 S CA 2.340 60.703 58.200 0.272 0.000 0.942 61 S CB 0.405 63.810 63.200 0.343 0.000 0.768 61 S HN 0.391 8.918 8.310 0.362 0.000 0.520 62 R N 0.510 121.083 120.500 0.122 0.000 2.081 62 R HA -0.295 4.071 4.340 0.043 0.000 0.235 62 R C 0.675 176.958 176.300 -0.027 0.000 1.131 62 R CA 3.268 59.397 56.100 0.049 0.000 0.960 62 R CB 0.351 30.681 30.300 0.050 0.000 0.856 62 R HN -0.407 8.227 8.270 0.154 -0.272 0.436 63 Y N -3.399 116.714 120.300 -0.311 0.000 2.526 63 Y HA -0.014 4.247 4.550 -0.482 0.000 0.265 63 Y C 0.809 176.302 175.900 -0.679 0.000 1.092 63 Y CA 1.624 59.323 58.100 -0.668 0.000 1.277 63 Y CB 2.696 40.456 38.460 -1.167 0.000 1.228 63 Y HN -0.774 7.469 8.280 -0.061 0.000 0.507 64 W N -4.051 117.283 121.300 0.057 0.000 2.866 64 W HA 0.131 4.778 4.660 -0.022 0.000 0.258 64 W C -1.279 175.220 176.519 -0.035 0.000 1.183 64 W CA 1.284 58.638 57.345 0.014 0.000 1.451 64 W CB 3.109 32.613 29.460 0.072 0.000 0.959 64 W HN -0.501 7.711 8.180 0.053 0.000 0.622 65 c N -4.799 113.894 118.600 0.155 0.000 2.994 65 c HA 0.849 5.725 4.570 0.026 -0.291 0.304 65 c C -1.647 172.436 174.090 -0.010 0.000 1.273 65 c CA -3.271 53.083 56.329 0.042 0.000 1.537 65 c CB 3.527 46.036 42.510 -0.002 0.000 2.001 65 c HN -0.758 7.572 8.230 0.166 0.000 0.471 66 N N -0.065 118.610 118.700 -0.041 0.000 2.422 66 N HA 0.121 4.849 4.740 -0.020 0.000 0.266 66 N C -0.739 174.736 175.510 -0.058 0.000 1.007 66 N CA -0.496 52.532 53.050 -0.036 0.000 0.941 66 N CB 2.097 40.568 38.487 -0.027 0.000 1.115 66 N HN 0.029 8.382 8.380 -0.044 0.000 0.492 67 D N 6.021 126.412 120.400 -0.015 0.000 2.469 67 D HA 0.119 4.740 4.640 -0.033 0.000 0.213 67 D C 0.287 176.611 176.300 0.040 0.000 1.135 67 D CA -1.742 52.263 54.000 0.008 0.000 0.834 67 D CB 0.157 41.017 40.800 0.100 0.000 1.009 67 D HN 0.393 8.775 8.370 0.019 0.000 0.507 68 G N 0.415 109.232 108.800 0.029 0.000 2.284 68 G HA2 -0.299 3.672 3.960 0.018 0.000 0.261 68 G HA3 -0.299 3.676 3.960 0.024 0.000 0.261 68 G C 0.310 175.235 174.900 0.041 0.000 0.997 68 G CA 1.193 46.309 45.100 0.028 0.000 0.621 68 G HN -0.332 8.210 8.290 0.021 -0.239 0.534 69 K N -1.635 118.804 120.400 0.066 0.000 2.469 69 K HA 0.240 4.595 4.320 0.058 0.000 0.204 69 K C -0.395 176.263 176.600 0.097 0.000 1.047 69 K CA -0.731 55.601 56.287 0.075 0.000 1.072 69 K CB 1.388 33.935 32.500 0.078 0.000 0.863 69 K HN -0.557 7.906 8.250 0.082 -0.163 0.530 70 T N 4.239 118.849 114.554 0.093 0.000 2.770 70 T HA 0.550 4.969 4.350 0.114 0.000 0.297 70 T C -2.227 172.509 174.700 0.059 0.000 0.997 70 T CA -2.111 60.047 62.100 0.096 0.000 0.949 70 T CB 0.585 69.519 68.868 0.109 0.000 0.941 70 T HN -0.606 7.732 8.240 0.080 -0.050 0.457 71 P HA -0.055 4.384 4.420 0.031 0.000 0.267 71 P C 0.457 177.770 177.300 0.022 0.000 1.205 71 P CA -0.090 63.031 63.100 0.035 0.000 0.765 71 P CB 0.394 32.115 31.700 0.035 0.000 0.828 72 G N 2.276 111.082 108.800 0.011 0.000 2.166 72 G HA2 -0.358 3.599 3.960 -0.004 0.000 0.260 72 G HA3 -0.358 3.603 3.960 0.003 0.000 0.260 72 G C -0.718 174.177 174.900 -0.009 0.000 0.986 72 G CA 0.104 45.205 45.100 0.001 0.000 0.683 72 G HN 0.356 8.652 8.290 0.010 0.000 0.527 73 A N -0.875 121.940 122.820 -0.009 0.000 2.332 73 A HA 0.183 4.600 4.320 -0.025 -0.112 0.258 73 A C -0.226 177.313 177.584 -0.075 0.000 1.087 73 A CA -0.521 51.500 52.037 -0.027 0.000 0.802 73 A CB 1.728 20.727 19.000 -0.002 0.000 1.042 73 A HN -0.667 7.446 8.150 0.001 0.037 0.489 74 V N -2.566 117.257 119.914 -0.152 0.000 3.182 74 V HA 0.421 4.438 4.120 -0.171 0.000 0.311 74 V C -1.482 174.444 176.094 -0.281 0.000 1.221 74 V CA -2.830 59.325 62.300 -0.242 0.000 1.060 74 V CB 2.714 34.317 31.823 -0.366 0.000 1.164 74 V HN 0.156 8.246 8.190 -0.166 0.000 0.466 75 N N -0.944 117.580 118.700 -0.294 0.000 2.726 75 N HA 0.164 4.813 4.740 -0.152 0.000 0.253 75 N C -0.364 175.039 175.510 -0.178 0.000 1.530 75 N CA -0.269 52.674 53.050 -0.179 0.000 0.772 75 N CB -0.181 38.259 38.487 -0.078 0.000 1.220 75 N HN 0.044 8.236 8.380 -0.314 0.000 0.508 76 A N 1.391 124.022 122.820 -0.314 0.000 2.014 76 A HA -0.032 4.169 4.320 -0.199 0.000 0.218 76 A C 0.774 178.381 177.584 0.039 0.000 1.163 76 A CA 2.655 54.574 52.037 -0.197 0.000 0.652 76 A CB 0.017 18.793 19.000 -0.375 0.000 0.808 76 A HN 0.737 8.608 8.150 -0.465 0.000 0.449 77 c N -4.358 114.281 118.600 0.064 0.000 2.562 77 c HA -0.096 4.361 4.570 -0.188 0.000 0.266 77 c C -0.174 173.642 174.090 -0.457 0.000 1.382 77 c CA 0.327 56.577 56.329 -0.132 0.000 1.742 77 c CB -0.977 41.525 42.510 -0.012 0.000 1.812 77 c HN -0.312 7.990 8.230 0.120 0.000 0.559 78 H N -3.914 115.170 119.070 0.023 0.000 2.604 78 H HA -0.429 4.178 4.556 -0.018 -0.062 0.321 78 H C -2.022 173.308 175.328 0.004 0.000 1.132 78 H CA 0.547 56.594 56.048 -0.001 0.000 1.129 78 H CB -3.459 26.300 29.762 -0.004 0.000 1.526 78 H HN -0.206 7.977 8.280 0.017 0.107 0.415 79 L N -6.453 114.787 121.223 0.028 0.000 2.393 79 L HA 0.528 4.893 4.340 0.042 0.000 0.260 79 L C -0.716 176.146 176.870 -0.014 0.000 1.002 79 L CA -2.165 52.683 54.840 0.014 0.000 0.818 79 L CB 3.347 45.399 42.059 -0.012 0.000 1.369 79 L HN -0.389 8.074 8.230 0.007 -0.229 0.412 80 S N -0.256 115.429 115.700 -0.025 0.000 2.560 80 S HA 0.141 4.734 4.470 -0.066 -0.161 0.284 80 S C 1.907 176.430 174.600 -0.127 0.000 1.327 80 S CA -0.111 58.050 58.200 -0.064 0.000 1.055 80 S CB 0.963 64.134 63.200 -0.048 0.000 0.868 80 S HN 0.291 8.595 8.310 -0.010 0.000 0.506 81 c N 7.043 125.495 118.600 -0.247 0.000 2.419 81 c HA -0.342 3.985 4.570 -0.404 0.000 0.283 81 c C 1.862 175.722 174.090 -0.384 0.000 1.373 81 c CA 3.799 59.817 56.329 -0.518 0.000 1.781 81 c CB -0.444 41.337 42.510 -1.215 0.000 1.886 81 c HN 0.604 8.595 8.230 -0.235 0.097 0.520 82 S N 0.928 116.511 115.700 -0.195 0.000 2.387 82 S HA -0.385 4.068 4.470 -0.029 0.000 0.230 82 S C 1.413 175.996 174.600 -0.028 0.000 1.035 82 S CA 3.221 61.383 58.200 -0.063 0.000 1.014 82 S CB -0.344 62.839 63.200 -0.028 0.000 0.836 82 S HN -0.369 7.824 8.310 -0.172 0.014 0.466 83 A N 0.594 123.391 122.820 -0.038 0.000 2.019 83 A HA -0.181 4.240 4.320 0.002 -0.100 0.219 83 A C 1.611 179.203 177.584 0.015 0.000 1.164 83 A CA 2.334 54.366 52.037 -0.007 0.000 0.644 83 A CB -0.392 18.604 19.000 -0.008 0.000 0.805 83 A HN -0.318 7.680 8.150 -0.059 0.117 0.449 84 L N -4.426 116.806 121.223 0.015 0.000 2.612 84 L HA -0.051 4.335 4.340 0.077 0.000 0.230 84 L C -0.653 176.286 176.870 0.114 0.000 1.140 84 L CA 0.196 55.082 54.840 0.077 0.000 0.896 84 L CB -0.443 41.686 42.059 0.116 0.000 1.065 84 L HN -0.489 7.583 8.230 -0.028 0.142 0.447 85 L N -4.607 116.672 121.223 0.093 0.000 2.959 85 L HA 0.435 5.068 4.340 0.118 -0.222 0.259 85 L C -0.308 176.601 176.870 0.066 0.000 1.185 85 L CA -1.511 53.392 54.840 0.105 0.000 0.998 85 L CB 0.134 42.273 42.059 0.133 0.000 1.337 85 L HN -0.763 7.337 8.230 0.065 0.168 0.555 86 Q N 0.336 120.166 119.800 0.051 0.000 2.354 86 Q HA -0.113 4.245 4.340 0.030 0.000 0.244 86 Q C 0.134 176.159 176.000 0.043 0.000 0.969 86 Q CA 0.208 56.034 55.803 0.037 0.000 0.885 86 Q CB 0.986 29.742 28.738 0.030 0.000 1.241 86 Q HN -0.879 7.421 8.270 0.050 0.000 0.461 87 D N -0.405 120.008 120.400 0.022 0.000 2.144 87 D HA -0.256 4.393 4.640 0.015 0.000 0.200 87 D C 0.471 176.805 176.300 0.058 0.000 0.978 87 D CA 2.405 56.411 54.000 0.009 0.000 0.833 87 D CB 0.260 41.030 40.800 -0.049 0.000 0.961 87 D HN 0.074 8.451 8.370 0.011 0.000 0.470 88 N N -0.270 118.457 118.700 0.045 0.000 2.420 88 N HA -0.112 4.680 4.740 0.086 0.000 0.262 88 N C 0.499 176.047 175.510 0.063 0.000 1.144 88 N CA 0.231 53.318 53.050 0.061 0.000 0.952 88 N CB 0.296 38.800 38.487 0.029 0.000 1.081 88 N HN -0.307 8.089 8.380 0.027 0.000 0.480 89 I N -0.762 119.854 120.570 0.076 0.000 3.810 89 I HA 0.266 4.450 4.170 0.023 0.000 0.322 89 I C 0.139 176.251 176.117 -0.008 0.000 1.288 89 I CA -0.233 61.078 61.300 0.019 0.000 1.143 89 I CB -0.867 37.098 38.000 -0.058 0.000 1.012 89 I HN 0.364 8.639 8.210 0.107 0.000 0.423 90 A N 2.351 125.167 122.820 -0.006 0.000 1.883 90 A HA -0.429 3.862 4.320 -0.048 0.000 0.217 90 A C 1.309 178.877 177.584 -0.028 0.000 1.186 90 A CA 4.084 56.105 52.037 -0.027 0.000 0.624 90 A CB -0.954 18.036 19.000 -0.018 0.000 0.822 90 A HN 0.154 8.567 8.150 0.007 -0.259 0.444 91 D N -1.240 119.156 120.400 -0.007 0.000 2.117 91 D HA -0.291 4.338 4.640 -0.019 0.000 0.198 91 D C 1.921 178.223 176.300 0.004 0.000 0.982 91 D CA 3.308 57.304 54.000 -0.007 0.000 0.828 91 D CB -0.780 40.023 40.800 0.005 0.000 0.967 91 D HN 0.238 8.610 8.370 0.002 0.000 0.464 92 A N 0.245 123.088 122.820 0.039 0.000 1.908 92 A HA -0.221 4.175 4.320 0.127 0.000 0.218 92 A C 2.204 179.866 177.584 0.129 0.000 1.181 92 A CA 2.930 55.037 52.037 0.117 0.000 0.627 92 A CB -0.806 18.269 19.000 0.124 0.000 0.818 92 A HN 0.047 8.218 8.150 0.034 0.000 0.445 93 V N -0.910 119.026 119.914 0.038 0.000 2.358 93 V HA -0.460 3.565 4.120 -0.160 0.000 0.246 93 V C 1.843 177.798 176.094 -0.233 0.000 1.047 93 V CA 3.573 65.794 62.300 -0.131 0.000 1.035 93 V CB -0.900 30.814 31.823 -0.181 0.000 0.658 93 V HN 0.008 8.208 8.190 0.016 0.000 0.452 94 A N 0.124 122.850 122.820 -0.155 0.000 1.908 94 A HA -0.389 3.808 4.320 -0.205 0.000 0.218 94 A C 1.587 179.081 177.584 -0.149 0.000 1.181 94 A CA 3.544 55.486 52.037 -0.159 0.000 0.627 94 A CB -0.994 17.948 19.000 -0.095 0.000 0.818 94 A HN 0.006 8.090 8.150 -0.110 0.000 0.445 95 c N -2.033 116.507 118.600 -0.101 0.000 2.466 95 c HA -0.336 4.185 4.570 -0.082 0.000 0.278 95 c C 1.474 175.486 174.090 -0.130 0.000 1.288 95 c CA 2.912 59.194 56.329 -0.078 0.000 1.722 95 c CB -0.299 42.209 42.510 -0.004 0.000 2.017 95 c HN -0.258 7.931 8.230 -0.069 0.000 0.488 96 A N 0.168 122.900 122.820 -0.145 0.000 1.940 96 A HA -0.427 3.900 4.320 0.012 0.000 0.219 96 A C 1.426 178.946 177.584 -0.107 0.000 1.176 96 A CA 3.370 55.313 52.037 -0.157 0.000 0.631 96 A CB -0.749 17.870 19.000 -0.635 0.000 0.814 96 A HN 0.149 8.220 8.150 -0.131 0.000 0.446 97 K N -2.218 118.016 120.400 -0.276 0.000 2.057 97 K HA -0.396 3.824 4.320 -0.167 0.000 0.207 97 K C 2.360 178.968 176.600 0.014 0.000 1.049 97 K CA 3.328 59.456 56.287 -0.265 0.000 0.931 97 K CB -0.129 31.953 32.500 -0.697 0.000 0.714 97 K HN -0.216 7.818 8.250 -0.361 0.000 0.440 98 R N -0.821 119.655 120.500 -0.040 0.000 2.083 98 R HA -0.300 4.103 4.340 0.105 0.000 0.237 98 R C 2.910 179.206 176.300 -0.007 0.000 1.137 98 R CA 2.508 58.632 56.100 0.041 0.000 0.951 98 R CB -0.883 29.452 30.300 0.058 0.000 0.851 98 R HN -0.676 7.537 8.270 -0.095 0.000 0.434 99 V N -0.486 119.235 119.914 -0.321 0.000 2.282 99 V HA -0.357 3.091 4.120 -1.121 0.000 0.249 99 V C 1.750 177.708 176.094 -0.227 0.000 1.057 99 V CA 4.121 65.984 62.300 -0.728 0.000 1.032 99 V CB -0.540 30.607 31.823 -1.127 0.000 0.645 99 V HN -0.042 7.945 8.190 -0.338 0.000 0.447 100 V N -6.452 113.457 119.914 -0.008 0.000 3.510 100 V HA -0.123 3.990 4.120 -0.011 0.000 0.270 100 V C 1.528 177.682 176.094 0.099 0.000 1.201 100 V CA 1.690 64.036 62.300 0.077 0.000 1.166 100 V CB -1.506 30.435 31.823 0.195 0.000 0.825 100 V HN -0.596 7.633 8.190 0.066 0.000 0.484 101 R N -0.939 119.644 120.500 0.138 0.000 2.235 101 R HA -0.183 4.210 4.340 0.089 0.000 0.213 101 R C 0.415 176.767 176.300 0.087 0.000 1.059 101 R CA 1.496 57.666 56.100 0.117 0.000 0.997 101 R CB -0.366 30.026 30.300 0.154 0.000 0.884 101 R HN -0.736 7.488 8.270 0.150 0.136 0.462 102 D N -0.159 120.297 120.400 0.093 0.000 2.354 102 D HA 0.327 5.018 4.640 0.085 0.000 0.247 102 D C -0.716 175.597 176.300 0.022 0.000 1.138 102 D CA -1.511 52.538 54.000 0.082 0.000 0.958 102 D CB 0.040 40.926 40.800 0.144 0.000 1.144 102 D HN -0.860 7.535 8.370 0.094 0.032 0.458 103 P HA -0.259 4.154 4.420 -0.012 0.000 0.216 103 P C 0.595 177.876 177.300 -0.031 0.000 1.153 103 P CA 2.102 65.195 63.100 -0.012 0.000 0.858 103 P CB 0.323 32.015 31.700 -0.013 0.000 0.789 104 Q N -3.690 116.087 119.800 -0.038 0.000 2.364 104 Q HA -0.158 4.156 4.340 -0.044 0.000 0.207 104 Q C 1.061 177.004 176.000 -0.094 0.000 0.970 104 Q CA 0.626 56.396 55.803 -0.055 0.000 0.888 104 Q CB 0.055 28.759 28.738 -0.056 0.000 0.951 104 Q HN 0.059 8.309 8.270 -0.033 0.000 0.469 105 G N -0.975 107.768 108.800 -0.095 0.000 2.566 105 G HA2 -0.448 3.624 3.960 -0.093 0.000 0.280 105 G HA3 -0.448 3.412 3.960 -0.166 0.000 0.280 105 G C 0.311 175.096 174.900 -0.193 0.000 1.225 105 G CA 0.876 45.895 45.100 -0.136 0.000 0.966 105 G HN -0.402 7.816 8.290 -0.068 0.031 0.560 106 I N 4.288 124.627 120.570 -0.386 0.000 2.567 106 I HA -0.309 3.688 4.170 -0.288 0.000 0.257 106 I C 1.056 176.900 176.117 -0.456 0.000 1.184 106 I CA 1.010 61.949 61.300 -0.602 0.000 1.451 106 I CB -0.027 37.185 38.000 -1.313 0.000 1.089 106 I HN 0.302 8.241 8.210 -0.452 0.000 0.441 107 R N -1.064 119.244 120.500 -0.320 0.000 2.328 107 R HA -0.316 4.140 4.340 0.193 0.000 0.207 107 R C 1.157 177.490 176.300 0.056 0.000 1.056 107 R CA 2.242 58.346 56.100 0.008 0.000 1.016 107 R CB -0.915 29.412 30.300 0.044 0.000 0.872 107 R HN -0.578 7.459 8.270 -0.332 0.034 0.471 108 A N -0.383 122.406 122.820 -0.051 0.000 1.986 108 A HA -0.208 4.033 4.320 -0.132 0.000 0.220 108 A C 0.294 177.802 177.584 -0.126 0.000 1.171 108 A CA 1.974 53.898 52.037 -0.189 0.000 0.640 108 A CB -0.272 18.405 19.000 -0.538 0.000 0.811 108 A HN -0.509 7.538 8.150 -0.098 0.045 0.451 109 W N -2.511 118.801 121.300 0.020 0.000 2.332 109 W HA 0.138 4.850 4.660 0.088 0.000 0.306 109 W C 0.104 176.711 176.519 0.147 0.000 1.149 109 W CA -0.291 57.109 57.345 0.092 0.000 1.271 109 W CB 0.543 30.070 29.460 0.113 0.000 1.243 109 W HN -0.772 7.681 8.180 0.485 0.018 0.459 110 V N 6.330 126.415 119.914 0.286 0.000 2.469 110 V HA -0.484 3.749 4.120 0.189 0.000 0.251 110 V C 1.317 177.522 176.094 0.186 0.000 1.064 110 V CA 3.640 66.058 62.300 0.198 0.000 1.066 110 V CB -0.546 31.348 31.823 0.118 0.000 0.667 110 V HN 0.725 9.053 8.190 0.230 0.000 0.461 111 A N -0.899 122.058 122.820 0.229 0.000 1.972 111 A HA -0.251 4.100 4.320 0.052 0.000 0.219 111 A C 1.598 179.245 177.584 0.106 0.000 1.169 111 A CA 2.956 55.078 52.037 0.142 0.000 0.635 111 A CB -0.901 18.219 19.000 0.199 0.000 0.810 111 A HN -0.029 8.286 8.150 0.290 0.009 0.446 112 W N -1.152 120.185 121.300 0.062 0.000 2.355 112 W HA -0.342 4.293 4.660 -0.040 0.000 0.309 112 W C 1.395 177.894 176.519 -0.033 0.000 1.206 112 W CA 3.969 61.311 57.345 -0.005 0.000 1.284 112 W CB 0.053 29.515 29.460 0.002 0.000 1.145 112 W HN -0.627 7.834 8.180 0.475 0.005 0.502 113 R N -3.329 117.259 120.500 0.147 0.000 2.091 113 R HA -0.378 3.975 4.340 -0.214 -0.142 0.238 113 R C 1.882 178.044 176.300 -0.230 0.000 1.136 113 R CA 3.282 59.340 56.100 -0.069 0.000 0.959 113 R CB -0.517 29.848 30.300 0.108 0.000 0.856 113 R HN -0.795 7.688 8.270 0.355 0.000 0.437 114 N N -3.305 115.289 118.700 -0.178 0.000 2.216 114 N HA -0.049 4.577 4.740 -0.191 0.000 0.183 114 N C 1.303 176.598 175.510 -0.358 0.000 1.017 114 N CA 2.524 55.439 53.050 -0.224 0.000 0.861 114 N CB 0.370 38.749 38.487 -0.181 0.000 0.986 114 N HN -0.263 7.953 8.380 -0.106 0.101 0.428 115 R N -2.922 117.301 120.500 -0.461 0.000 2.419 115 R HA 0.312 4.259 4.340 -0.655 0.000 0.235 115 R C 0.737 176.739 176.300 -0.497 0.000 0.899 115 R CA 0.545 56.255 56.100 -0.650 0.000 1.048 115 R CB 1.009 30.632 30.300 -1.128 0.000 1.182 115 R HN -0.080 7.939 8.270 -0.419 0.000 0.544 116 c N -3.408 114.833 118.600 -0.598 0.000 3.054 116 c HA 0.135 4.486 4.570 -0.365 0.000 0.527 116 c C -0.913 172.663 174.090 -0.858 0.000 1.347 116 c CA 0.190 56.120 56.329 -0.664 0.000 2.453 116 c CB 3.305 45.300 42.510 -0.859 0.000 3.406 116 c HN 0.048 7.858 8.230 -0.700 0.000 0.562 117 Q N 3.001 122.031 119.800 -1.284 0.000 2.300 117 Q HA -0.305 3.331 4.340 -1.172 0.000 0.280 117 Q C -0.332 175.402 176.000 -0.444 0.000 1.033 117 Q CA 2.098 57.262 55.803 -1.065 0.000 0.903 117 Q CB 0.378 28.552 28.738 -0.940 0.000 1.195 117 Q HN -0.316 7.135 8.270 -1.364 0.000 0.386 118 N N 0.303 118.854 118.700 -0.249 0.000 2.741 118 N HA -0.367 4.327 4.740 -0.078 0.000 0.250 118 N C -1.691 173.747 175.510 -0.120 0.000 1.115 118 N CA 1.014 53.987 53.050 -0.128 0.000 0.724 118 N CB -0.879 37.544 38.487 -0.107 0.000 1.090 118 N HN 0.342 8.600 8.380 -0.204 0.000 0.558 119 R N -1.540 118.881 120.500 -0.132 0.000 2.873 119 R HA 0.211 4.513 4.340 -0.064 0.000 0.264 119 R C -1.087 175.204 176.300 -0.015 0.000 1.026 119 R CA -1.750 54.304 56.100 -0.077 0.000 1.002 119 R CB 2.021 32.265 30.300 -0.093 0.000 1.174 119 R HN -0.685 7.456 8.270 -0.166 0.029 0.488 120 D N 2.264 122.673 120.400 0.015 0.000 2.374 120 D HA 0.066 4.732 4.640 0.042 0.000 0.240 120 D C 0.525 176.884 176.300 0.099 0.000 1.229 120 D CA -0.272 53.754 54.000 0.044 0.000 0.895 120 D CB -0.063 40.754 40.800 0.028 0.000 1.046 120 D HN 0.213 8.587 8.370 0.007 0.000 0.498 121 V N -0.129 119.870 119.914 0.143 0.000 3.444 121 V HA 0.359 4.718 4.120 0.398 0.000 0.308 121 V C 0.701 176.961 176.094 0.277 0.000 1.371 121 V CA -0.638 61.838 62.300 0.294 0.000 1.141 121 V CB -0.485 31.500 31.823 0.271 0.000 1.037 121 V HN 0.095 8.354 8.190 0.115 0.000 0.433 122 R N 1.856 122.440 120.500 0.141 0.000 2.120 122 R HA -0.378 4.035 4.340 0.122 0.000 0.234 122 R C 1.997 178.342 176.300 0.075 0.000 1.123 122 R CA 3.717 59.879 56.100 0.104 0.000 0.975 122 R CB -0.633 29.703 30.300 0.060 0.000 0.866 122 R HN -0.523 8.024 8.270 0.106 -0.213 0.446 123 Q N -0.441 119.358 119.800 -0.003 0.000 2.234 123 Q HA -0.247 4.055 4.340 -0.062 0.000 0.206 123 Q C 2.528 178.453 176.000 -0.125 0.000 0.980 123 Q CA 2.417 58.154 55.803 -0.111 0.000 0.869 123 Q CB -0.972 27.627 28.738 -0.231 0.000 0.912 123 Q HN 0.189 8.435 8.270 -0.007 0.020 0.436 124 Y N -1.108 119.239 120.300 0.078 0.000 2.421 124 Y HA -0.229 4.381 4.550 0.099 0.000 0.292 124 Y C 1.887 177.825 175.900 0.063 0.000 1.136 124 Y CA 2.758 60.913 58.100 0.092 0.000 1.255 124 Y CB 0.435 38.973 38.460 0.129 0.000 0.991 124 Y HN -0.551 7.805 8.280 0.174 0.028 0.552 125 V N -8.727 111.291 119.914 0.173 0.000 3.528 125 V HA 0.257 4.436 4.120 0.098 0.000 0.294 125 V C -0.701 175.429 176.094 0.061 0.000 1.404 125 V CA -1.791 60.574 62.300 0.108 0.000 1.065 125 V CB 0.281 32.170 31.823 0.110 0.000 0.904 125 V HN -0.766 7.502 8.190 0.168 0.023 0.435 126 Q N 2.498 122.325 119.800 0.044 0.000 2.300 126 Q HA -0.195 4.161 4.340 0.027 0.000 0.280 126 Q C 1.354 177.365 176.000 0.017 0.000 1.033 126 Q CA 1.906 57.723 55.803 0.024 0.000 0.903 126 Q CB 0.186 28.929 28.738 0.007 0.000 1.195 126 Q HN -0.757 7.539 8.270 0.043 0.000 0.386 127 G N 5.504 114.313 108.800 0.016 0.000 2.179 127 G HA2 -0.319 3.647 3.960 0.010 0.000 0.260 127 G HA3 -0.319 3.646 3.960 0.008 0.000 0.260 127 G C 0.974 175.881 174.900 0.012 0.000 0.977 127 G CA 0.961 46.068 45.100 0.011 0.000 0.641 127 G HN 0.750 9.050 8.290 0.018 0.000 0.533 128 c N 0.033 118.642 118.600 0.016 0.000 2.696 128 c HA -0.004 4.571 4.570 0.009 0.000 0.264 128 c C 0.193 174.291 174.090 0.012 0.000 1.288 128 c CA 0.534 56.870 56.329 0.013 0.000 1.717 128 c CB 0.138 42.656 42.510 0.014 0.000 1.893 128 c HN -0.388 7.812 8.230 0.022 0.043 0.577 129 G N -0.672 108.137 108.800 0.015 0.000 2.160 129 G HA2 -0.383 3.586 3.960 0.015 0.000 0.244 129 G HA3 -0.383 3.584 3.960 0.012 0.000 0.244 129 G C -0.960 173.950 174.900 0.017 0.000 1.022 129 G CA 0.275 45.383 45.100 0.014 0.000 0.741 129 G HN 0.408 8.708 8.290 0.017 0.000 0.508 130 V N 0.000 119.928 119.914 0.023 0.000 2.409 130 V HA 0.000 4.134 4.120 0.024 0.000 0.244 130 V CA 0.000 62.317 62.300 0.028 0.000 1.235 130 V CB 0.000 31.842 31.823 0.032 0.000 1.184 130 V HN 0.000 8.205 8.190 0.026 0.000 0.556