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 1c1u_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVEGSDAEIG MSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTENDLL DATA SEQUENCE VRIGKHSRTR YRNIEKISML EKIYIHPRYN WENLDRDIAL MKLKKPVAFS DATA SEQUENCE DYIHPVCLPD RETLLQAGYK GRVTGWGNLK ETXXXXXXXG QPSVLQVVNL DATA SEQUENCE PIVERPVcKD STRIRITDNM FcAGYKKRGD AcEGDSGGPF VMKSNNRWYQ DATA SEQUENCE MGIVSWGEXG cRDGKYGFYT HVFRLKKWIQ KVIDQFGE 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 16 I HA 0.000 4.213 4.170 0.071 0.000 0.288 16 I C 0.000 176.149 176.117 0.054 0.000 1.063 16 I CA 0.000 61.334 61.300 0.056 0.000 1.566 16 I CB 0.000 38.019 38.000 0.032 0.000 1.214 17 V N 5.841 125.792 119.914 0.061 0.000 2.435 17 V HA 0.296 4.588 4.120 0.047 -0.144 0.290 17 V C 0.149 176.277 176.094 0.058 0.000 1.030 17 V CA -1.547 60.786 62.300 0.054 0.000 0.881 17 V CB 1.801 33.656 31.823 0.054 0.000 0.983 17 V HN 0.881 9.009 8.190 0.072 0.105 0.445 18 E N 2.339 122.566 120.200 0.046 0.000 2.389 18 E HA -0.416 3.953 4.350 0.031 0.000 0.243 18 E C -1.132 175.497 176.600 0.049 0.000 1.154 18 E CA 1.154 57.579 56.400 0.042 0.000 0.723 18 E CB -2.284 27.442 29.700 0.044 0.000 1.261 18 E HN 0.944 9.327 8.360 0.039 0.000 0.390 19 G N -3.946 104.879 108.800 0.041 0.000 2.667 19 G HA2 0.435 4.426 3.960 0.046 0.000 0.310 19 G HA3 0.435 4.443 3.960 0.031 -0.029 0.310 19 G C -1.673 173.239 174.900 0.020 0.000 1.259 19 G CA -0.997 44.124 45.100 0.035 0.000 1.019 19 G HN -0.482 7.830 8.290 0.036 0.000 0.496 20 S N -1.338 114.369 115.700 0.011 0.000 2.709 20 S HA 0.273 4.749 4.470 0.010 0.000 0.302 20 S C -1.350 173.248 174.600 -0.004 0.000 1.127 20 S CA -1.435 56.770 58.200 0.008 0.000 0.905 20 S CB 3.007 66.214 63.200 0.012 0.000 1.151 20 S HN 0.466 8.781 8.310 0.008 0.000 0.510 21 D N 0.788 121.190 120.400 0.004 0.000 2.399 21 D HA -0.000 4.778 4.640 -0.023 -0.152 0.241 21 D C 0.245 176.555 176.300 0.018 0.000 1.133 21 D CA 0.711 54.715 54.000 0.006 0.000 0.890 21 D CB 0.367 41.189 40.800 0.036 0.000 1.201 21 D HN 0.115 8.492 8.370 0.012 0.000 0.432 22 A N 3.416 126.252 122.820 0.026 0.000 2.259 22 A HA 0.039 4.348 4.320 -0.019 0.000 0.278 22 A C -0.652 176.988 177.584 0.093 0.000 1.107 22 A CA -0.793 51.259 52.037 0.025 0.000 0.828 22 A CB 1.837 20.824 19.000 -0.021 0.000 1.111 22 A HN 0.472 8.622 8.150 -0.000 0.000 0.498 23 E N -1.628 118.571 120.200 -0.002 0.000 2.232 23 E HA 0.148 4.475 4.350 -0.039 0.000 0.265 23 E C -0.711 175.809 176.600 -0.134 0.000 1.001 23 E CA -1.880 54.488 56.400 -0.054 0.000 0.870 23 E CB 1.439 31.100 29.700 -0.065 0.000 1.175 23 E HN 0.007 8.339 8.360 -0.046 0.000 0.407 24 I N 0.797 121.236 120.570 -0.218 0.000 2.648 24 I HA -0.105 3.824 4.170 -0.401 0.000 0.284 24 I C 1.105 177.154 176.117 -0.112 0.000 1.153 24 I CA 0.683 61.829 61.300 -0.258 0.000 1.426 24 I CB -0.309 37.560 38.000 -0.218 0.000 1.381 24 I HN 0.191 8.293 8.210 -0.181 0.000 0.571 25 G N 4.446 113.207 108.800 -0.065 0.000 2.168 25 G HA2 -0.410 3.505 3.960 -0.074 0.000 0.257 25 G HA3 -0.410 3.487 3.960 -0.105 0.000 0.257 25 G C -0.057 174.689 174.900 -0.257 0.000 0.997 25 G CA 0.827 45.859 45.100 -0.113 0.000 0.708 25 G HN 0.150 8.416 8.290 -0.039 0.000 0.520 26 M N -1.073 118.365 119.600 -0.269 0.000 2.200 26 M HA -0.188 4.099 4.480 -0.322 0.000 0.265 26 M C -0.549 175.359 176.300 -0.652 0.000 1.066 26 M CA 2.524 57.608 55.300 -0.360 0.000 1.127 26 M CB 0.884 33.334 32.600 -0.249 0.000 1.379 26 M HN -0.667 7.453 8.290 -0.201 0.049 0.420 27 S N -3.501 111.768 115.700 -0.719 0.000 2.062 27 S HA 0.486 3.770 4.470 -1.977 0.000 0.163 27 S C -1.797 172.081 174.600 -1.203 0.000 1.612 27 S CA -2.110 55.347 58.200 -1.238 0.000 1.251 27 S CB 0.287 63.072 63.200 -0.692 0.000 1.174 27 S HN -0.061 7.954 8.310 -0.491 0.000 0.428 28 P HA 0.130 4.492 4.420 -0.273 -0.105 0.231 28 P C -0.043 177.114 177.300 -0.238 0.000 1.158 28 P CA 1.549 64.364 63.100 -0.476 0.000 0.763 28 P CB -0.015 31.489 31.700 -0.327 0.000 0.805 29 W N -5.522 115.770 121.300 -0.012 0.000 3.211 29 W HA 0.203 4.927 4.660 0.025 -0.050 0.292 29 W C -0.761 175.785 176.519 0.045 0.000 1.268 29 W CA -2.966 54.387 57.345 0.012 0.000 1.702 29 W CB -1.274 28.180 29.460 -0.009 0.000 1.092 29 W HN -0.504 6.595 8.180 -1.636 0.099 0.643 30 Q N 2.640 122.459 119.800 0.031 0.000 2.311 30 Q HA 0.076 4.673 4.340 0.221 -0.125 0.272 30 Q C -1.049 175.083 176.000 0.220 0.000 1.012 30 Q CA 0.628 56.502 55.803 0.119 0.000 0.891 30 Q CB 0.297 28.975 28.738 -0.099 0.000 1.201 30 Q HN -0.091 7.821 8.270 -0.312 0.171 0.391 31 V N 5.036 125.114 119.914 0.274 0.000 2.960 31 V HA 0.406 4.809 4.120 0.273 -0.120 0.315 31 V C -1.399 174.922 176.094 0.379 0.000 1.087 31 V CA -1.821 60.653 62.300 0.290 0.000 0.982 31 V CB 3.569 35.530 31.823 0.230 0.000 1.039 31 V HN 0.468 8.813 8.190 0.257 0.000 0.437 32 M N 3.425 123.199 119.600 0.291 0.000 2.243 32 M HA 0.439 5.256 4.480 0.370 -0.115 0.324 32 M C -2.081 174.331 176.300 0.187 0.000 1.031 32 M CA -1.239 54.208 55.300 0.244 0.000 0.949 32 M CB 3.564 36.132 32.600 -0.054 0.000 1.615 32 M HN 0.253 8.668 8.290 0.208 0.000 0.430 33 L N 5.722 127.062 121.223 0.195 0.000 2.275 33 L HA 0.433 4.995 4.340 0.162 -0.125 0.288 33 L C -1.878 175.116 176.870 0.207 0.000 1.046 33 L CA -0.758 54.181 54.840 0.164 0.000 0.805 33 L CB 1.122 43.248 42.059 0.112 0.000 1.193 33 L HN 0.702 9.058 8.230 0.210 0.000 0.426 34 F N 5.408 125.361 119.950 0.006 0.000 2.507 34 F HA 0.672 5.330 4.527 -0.019 -0.142 0.325 34 F C -2.174 173.619 175.800 -0.012 0.000 1.116 34 F CA -1.891 56.100 58.000 -0.015 0.000 0.930 34 F CB 4.330 43.312 39.000 -0.030 0.000 1.146 34 F HN 0.971 9.424 8.300 0.254 0.000 0.447 35 R N 4.938 125.103 120.500 -0.558 0.000 2.562 35 R HA 0.454 4.815 4.340 -0.188 -0.134 0.217 35 R C 0.173 176.212 176.300 -0.434 0.000 1.234 35 R CA -1.700 54.175 56.100 -0.375 0.000 1.027 35 R CB 2.395 32.499 30.300 -0.327 0.000 1.525 35 R HN 0.895 8.674 8.270 -0.818 0.000 0.527 36 S N -0.465 115.168 115.700 -0.113 0.000 2.488 36 S HA 0.121 4.596 4.470 -0.098 -0.063 0.278 36 S C -1.015 173.527 174.600 -0.098 0.000 1.259 36 S CA -1.110 57.035 58.200 -0.092 0.000 1.061 36 S CB 0.075 63.242 63.200 -0.056 0.000 0.910 36 S HN -0.270 7.976 8.310 -0.107 0.000 0.491 37 P HA -0.027 4.342 4.420 -0.085 0.000 0.269 37 P C -1.675 175.503 177.300 -0.204 0.000 1.215 37 P CA -0.375 62.658 63.100 -0.113 0.000 0.780 37 P CB 0.651 32.298 31.700 -0.087 0.000 0.898 38 Q N 0.729 120.415 119.800 -0.190 0.000 2.452 38 Q HA 0.163 4.420 4.340 -0.640 -0.302 0.230 38 Q C -0.800 174.942 176.000 -0.431 0.000 1.180 38 Q CA -0.159 55.426 55.803 -0.363 0.000 0.914 38 Q CB 0.020 28.765 28.738 0.011 0.000 1.408 38 Q HN 0.306 8.513 8.270 -0.104 0.000 0.520 39 E N 0.684 120.462 120.200 -0.704 0.000 2.408 39 E HA 0.270 4.524 4.350 -0.159 0.000 0.275 39 E C -1.883 174.492 176.600 -0.375 0.000 0.935 39 E CA -2.487 53.691 56.400 -0.369 0.000 0.775 39 E CB 3.091 32.685 29.700 -0.178 0.000 1.277 39 E HN -0.290 7.550 8.360 -0.866 0.000 0.455 40 L N 0.722 121.924 121.223 -0.035 0.000 2.416 40 L HA -0.036 4.535 4.340 0.201 -0.110 0.272 40 L C -0.935 175.951 176.870 0.027 0.000 1.161 40 L CA 0.637 55.532 54.840 0.092 0.000 0.845 40 L CB 0.071 42.200 42.059 0.117 0.000 1.119 40 L HN 0.265 8.503 8.230 0.015 0.000 0.464 41 L N 7.225 128.477 121.223 0.048 0.000 2.453 41 L HA 0.063 4.407 4.340 0.008 0.000 0.190 41 L C -0.763 176.148 176.870 0.069 0.000 1.093 41 L CA 0.994 55.850 54.840 0.028 0.000 0.834 41 L CB 2.923 44.983 42.059 0.002 0.000 1.090 41 L HN 0.759 9.045 8.230 0.095 0.000 0.489 42 c N -6.574 112.087 118.600 0.102 0.000 3.316 42 c HA 0.351 4.999 4.570 0.130 0.000 0.360 42 c C -1.570 172.634 174.090 0.191 0.000 1.560 42 c CA -1.154 55.248 56.329 0.121 0.000 1.229 42 c CB 3.857 46.400 42.510 0.055 0.000 1.823 42 c HN -0.817 7.481 8.230 0.113 0.000 0.440 43 G N -1.949 106.967 108.800 0.193 0.000 2.552 43 G HA2 0.820 5.121 3.960 0.332 0.000 0.324 43 G HA3 0.820 4.912 3.960 0.219 0.000 0.324 43 G C -2.914 172.103 174.900 0.196 0.000 1.217 43 G CA -1.486 43.760 45.100 0.243 0.000 0.989 43 G HN 0.635 9.016 8.290 0.152 0.000 0.490 44 A N -3.248 119.699 122.820 0.212 0.000 2.511 44 A HA 0.938 5.678 4.320 0.182 -0.311 0.293 44 A C -2.371 175.346 177.584 0.222 0.000 1.098 44 A CA -0.454 51.702 52.037 0.197 0.000 0.643 44 A CB 2.712 21.822 19.000 0.185 0.000 1.302 44 A HN -0.404 7.887 8.150 0.235 0.000 0.446 45 S N -2.593 113.240 115.700 0.221 0.000 2.595 45 S HA 0.980 5.840 4.470 0.288 -0.217 0.281 45 S C -1.086 173.652 174.600 0.230 0.000 1.117 45 S CA -1.899 56.449 58.200 0.248 0.000 0.873 45 S CB 3.934 67.263 63.200 0.216 0.000 1.108 45 S HN 0.471 8.906 8.310 0.208 0.000 0.477 46 L N 3.146 124.518 121.223 0.248 0.000 2.264 46 L HA 0.485 5.094 4.340 0.226 -0.133 0.289 46 L C -0.552 176.425 176.870 0.177 0.000 1.044 46 L CA -0.719 54.255 54.840 0.223 0.000 0.807 46 L CB 1.965 44.161 42.059 0.229 0.000 1.192 46 L HN 0.154 8.567 8.230 0.305 0.000 0.425 47 I N -0.814 119.863 120.570 0.179 0.000 4.070 47 I HA 0.491 4.698 4.170 0.061 0.000 0.328 47 I C -0.928 175.270 176.117 0.135 0.000 1.298 47 I CA -0.444 60.927 61.300 0.119 0.000 1.173 47 I CB 1.516 39.583 38.000 0.112 0.000 1.051 47 I HN 0.263 8.610 8.210 0.227 0.000 0.409 48 S N -1.054 114.781 115.700 0.226 0.000 2.790 48 S HA 0.190 4.814 4.470 0.256 0.000 0.292 48 S C -1.555 173.273 174.600 0.379 0.000 1.197 48 S CA -0.867 57.506 58.200 0.288 0.000 0.851 48 S CB 2.296 65.684 63.200 0.314 0.000 1.217 48 S HN -0.845 7.621 8.310 0.260 0.000 0.526 49 D N -4.703 115.910 120.400 0.354 0.000 2.355 49 D HA -0.011 4.853 4.640 0.372 0.000 0.218 49 D C 0.251 176.611 176.300 0.101 0.000 1.004 49 D CA 1.397 55.521 54.000 0.207 0.000 0.880 49 D CB -0.110 40.615 40.800 -0.125 0.000 0.911 49 D HN 0.327 8.881 8.370 0.307 0.000 0.528 50 R N -2.662 117.901 120.500 0.106 0.000 2.521 50 R HA 0.304 4.579 4.340 -0.109 0.000 0.289 50 R C -1.815 174.336 176.300 -0.247 0.000 0.936 50 R CA -0.085 55.946 56.100 -0.116 0.000 1.089 50 R CB 2.365 32.491 30.300 -0.291 0.000 1.348 50 R HN -0.799 7.544 8.270 0.221 0.059 0.536 51 W N -2.050 119.307 121.300 0.095 0.000 2.702 51 W HA 0.742 5.669 4.660 0.093 -0.211 0.331 51 W C -1.399 175.185 176.519 0.108 0.000 1.049 51 W CA -0.866 56.533 57.345 0.090 0.000 1.230 51 W CB 3.294 32.788 29.460 0.056 0.000 1.408 51 W HN -0.491 7.894 8.180 0.342 0.000 0.492 52 V N 1.731 121.858 119.914 0.356 0.000 2.680 52 V HA 0.815 5.257 4.120 0.254 -0.169 0.309 52 V C -2.055 174.208 176.094 0.282 0.000 1.052 52 V CA -1.434 61.028 62.300 0.269 0.000 0.908 52 V CB 3.454 35.400 31.823 0.204 0.000 1.001 52 V HN 0.820 9.240 8.190 0.382 0.000 0.431 53 L N 6.241 127.608 121.223 0.240 0.000 2.329 53 L HA 0.903 5.548 4.340 0.258 -0.151 0.279 53 L C -1.734 175.257 176.870 0.201 0.000 1.014 53 L CA -1.446 53.532 54.840 0.230 0.000 0.814 53 L CB 3.543 45.726 42.059 0.207 0.000 1.257 53 L HN 0.815 9.179 8.230 0.224 0.000 0.424 54 T N 5.145 119.810 114.554 0.185 0.000 2.618 54 T HA 0.556 5.198 4.350 0.143 -0.205 0.293 54 T C -2.147 172.611 174.700 0.096 0.000 1.093 54 T CA -2.810 59.370 62.100 0.133 0.000 1.061 54 T CB 2.667 71.600 68.868 0.108 0.000 1.498 54 T HN 0.478 8.842 8.240 0.206 0.000 0.494 55 A N -0.145 122.688 122.820 0.022 0.000 2.301 55 A HA 0.436 4.941 4.320 0.032 -0.165 0.312 55 A C 0.582 178.074 177.584 -0.153 0.000 1.182 55 A CA -1.983 50.035 52.037 -0.031 0.000 0.826 55 A CB 1.225 20.197 19.000 -0.047 0.000 1.134 55 A HN 0.358 8.509 8.150 0.002 0.000 0.501 56 A N 5.075 127.761 122.820 -0.224 0.000 1.972 56 A HA -0.235 3.940 4.320 -0.242 0.000 0.219 56 A C 1.384 178.743 177.584 -0.375 0.000 1.169 56 A CA 3.108 54.887 52.037 -0.430 0.000 0.635 56 A CB -0.507 17.903 19.000 -0.983 0.000 0.810 56 A HN 0.665 8.707 8.150 -0.179 0.001 0.446 57 H N -5.098 113.840 119.070 -0.221 0.000 2.567 57 H HA -0.042 4.822 4.556 0.148 -0.220 0.276 57 H C 1.220 176.571 175.328 0.038 0.000 1.016 57 H CA 1.534 57.612 56.048 0.049 0.000 1.186 57 H CB -1.782 28.086 29.762 0.177 0.000 1.351 57 H HN 0.118 8.710 8.280 -0.058 -0.346 0.605 58 c N -1.931 116.432 118.600 -0.395 0.000 2.485 58 c HA -0.038 4.407 4.570 -0.209 0.000 0.277 58 c C -0.001 174.034 174.090 -0.091 0.000 1.376 58 c CA 1.943 58.126 56.329 -0.244 0.000 1.759 58 c CB -0.737 41.649 42.510 -0.207 0.000 1.970 58 c HN -0.759 7.029 8.230 -0.426 0.187 0.509 59 L N -2.979 118.197 121.223 -0.078 0.000 2.331 59 L HA 0.269 4.590 4.340 -0.032 0.000 0.268 59 L C 0.010 176.867 176.870 -0.021 0.000 1.015 59 L CA -0.911 53.907 54.840 -0.037 0.000 0.807 59 L CB 1.470 43.513 42.059 -0.027 0.000 1.293 59 L HN -0.442 7.560 8.230 -0.118 0.157 0.451 60 T N 0.982 115.515 114.554 -0.035 0.000 2.952 60 T HA 0.316 4.641 4.350 -0.042 0.000 0.286 60 T C 0.842 175.521 174.700 -0.036 0.000 1.024 60 T CA -1.488 60.589 62.100 -0.038 0.000 1.029 60 T CB 1.537 70.382 68.868 -0.038 0.000 1.094 60 T HN 0.384 8.835 8.240 -0.035 -0.232 0.515 61 E N 4.072 124.246 120.200 -0.044 0.000 2.068 61 E HA -0.462 3.867 4.350 -0.035 0.000 0.207 61 E C 2.027 178.610 176.600 -0.027 0.000 1.032 61 E CA 3.678 60.054 56.400 -0.040 0.000 0.839 61 E CB -0.690 28.978 29.700 -0.053 0.000 0.758 61 E HN 0.636 8.964 8.360 -0.055 0.000 0.457 62 N N -2.705 115.978 118.700 -0.029 0.000 2.417 62 N HA -0.255 4.473 4.740 -0.020 0.000 0.187 62 N C 0.096 175.593 175.510 -0.022 0.000 1.027 62 N CA 2.302 55.337 53.050 -0.024 0.000 0.891 62 N CB -0.819 37.653 38.487 -0.026 0.000 0.956 62 N HN 0.248 8.607 8.380 -0.035 0.000 0.442 63 D N -2.574 117.811 120.400 -0.025 0.000 2.360 63 D HA 0.107 4.726 4.640 -0.034 0.000 0.210 63 D C -1.078 175.205 176.300 -0.028 0.000 1.047 63 D CA 0.725 54.707 54.000 -0.031 0.000 0.854 63 D CB 0.827 41.604 40.800 -0.039 0.000 0.936 63 D HN -0.024 8.119 8.370 -0.026 0.212 0.514 64 L N -2.642 118.576 121.223 -0.009 0.000 2.301 64 L HA 0.678 5.161 4.340 0.002 -0.142 0.264 64 L C -1.583 175.314 176.870 0.046 0.000 1.016 64 L CA -1.279 53.569 54.840 0.014 0.000 0.821 64 L CB 3.885 45.955 42.059 0.019 0.000 1.346 64 L HN -0.490 7.585 8.230 -0.009 0.149 0.429 65 L N -2.604 118.676 121.223 0.094 0.000 2.388 65 L HA 0.563 5.060 4.340 0.082 -0.108 0.264 65 L C -1.849 175.105 176.870 0.140 0.000 0.998 65 L CA -1.395 53.520 54.840 0.125 0.000 0.817 65 L CB 4.823 47.007 42.059 0.207 0.000 1.338 65 L HN 0.419 8.711 8.230 0.103 0.000 0.414 66 V N 2.224 122.201 119.914 0.104 0.000 2.495 66 V HA 0.529 4.885 4.120 0.127 -0.160 0.298 66 V C -1.588 174.553 176.094 0.078 0.000 1.031 66 V CA -1.183 61.179 62.300 0.105 0.000 0.871 66 V CB 2.772 34.650 31.823 0.092 0.000 0.988 66 V HN 0.405 8.643 8.190 0.081 0.000 0.432 67 R N 6.895 127.433 120.500 0.064 0.000 2.393 67 R HA 0.689 5.205 4.340 0.014 -0.167 0.315 67 R C -0.927 175.408 176.300 0.058 0.000 0.952 67 R CA -1.399 54.705 56.100 0.007 0.000 0.842 67 R CB 1.895 32.123 30.300 -0.120 0.000 1.163 67 R HN 0.761 9.085 8.270 0.090 0.000 0.450 68 I N 1.377 121.989 120.570 0.071 0.000 2.562 68 I HA 0.280 4.541 4.170 0.151 0.000 0.301 68 I C 0.139 176.313 176.117 0.094 0.000 1.003 68 I CA -1.787 59.582 61.300 0.115 0.000 1.127 68 I CB 2.600 40.681 38.000 0.135 0.000 1.304 68 I HN 0.820 8.955 8.210 0.055 0.108 0.446 69 G N 3.381 112.255 108.800 0.124 0.000 2.141 69 G HA2 -0.456 3.791 3.960 0.147 0.000 0.242 69 G HA3 -0.456 3.559 3.960 0.091 0.000 0.242 69 G C -1.032 173.904 174.900 0.061 0.000 0.982 69 G CA 0.098 45.262 45.100 0.107 0.000 0.662 69 G HN 0.572 8.952 8.290 0.150 0.000 0.527 70 K N -1.858 118.617 120.400 0.125 0.000 2.102 70 K HA 0.132 4.577 4.320 0.013 -0.117 0.244 70 K C -1.792 175.017 176.600 0.348 0.000 1.021 70 K CA 0.140 56.512 56.287 0.142 0.000 0.913 70 K CB 1.094 33.596 32.500 0.003 0.000 1.062 70 K HN -0.431 7.888 8.250 0.176 0.037 0.485 71 H N -0.313 118.865 119.070 0.180 0.000 1.837 71 H HA 0.223 4.942 4.556 0.270 0.000 0.168 71 H C 0.051 175.562 175.328 0.305 0.000 0.966 71 H CA 0.910 57.086 56.048 0.214 0.000 1.037 71 H CB 3.333 33.114 29.762 0.030 0.000 1.008 71 H HN 0.107 8.891 8.280 0.163 -0.406 0.340 72 S N -0.244 115.488 115.700 0.054 0.000 2.576 72 S HA 0.069 4.667 4.470 -0.068 -0.168 0.276 72 S C 0.759 175.244 174.600 -0.192 0.000 1.339 72 S CA 0.269 58.438 58.200 -0.052 0.000 1.039 72 S CB 1.188 64.359 63.200 -0.048 0.000 0.902 72 S HN -0.223 8.595 8.310 0.108 -0.443 0.516 73 R N 5.602 125.975 120.500 -0.212 0.000 2.055 73 R HA -0.148 3.516 4.340 -1.126 0.000 0.226 73 R C 1.108 177.208 176.300 -0.335 0.000 1.135 73 R CA 2.941 58.752 56.100 -0.482 0.000 0.959 73 R CB 0.185 30.386 30.300 -0.166 0.000 0.854 73 R HN 0.754 8.872 8.270 -0.072 0.108 0.431 74 T N -5.393 109.061 114.554 -0.167 0.000 3.060 74 T HA 0.077 4.361 4.350 -0.109 0.000 0.249 74 T C 0.370 175.011 174.700 -0.098 0.000 1.079 74 T CA 0.010 62.046 62.100 -0.107 0.000 1.013 74 T CB 0.231 69.075 68.868 -0.041 0.000 0.975 74 T HN -0.144 8.025 8.240 -0.118 0.000 0.518 75 R N 1.161 121.593 120.500 -0.113 0.000 2.486 75 R HA 0.247 4.566 4.340 -0.035 0.000 0.286 75 R C -1.279 174.965 176.300 -0.092 0.000 0.999 75 R CA -1.759 54.296 56.100 -0.075 0.000 0.993 75 R CB 0.903 31.165 30.300 -0.065 0.000 1.084 75 R HN -0.792 7.396 8.270 -0.136 0.000 0.487 76 Y N 4.167 124.381 120.300 -0.143 0.000 2.421 76 Y HA 0.330 4.925 4.550 -0.202 -0.166 0.366 76 Y C 0.349 176.180 175.900 -0.116 0.000 1.360 76 Y CA -0.699 57.309 58.100 -0.154 0.000 1.663 76 Y CB 1.557 39.940 38.460 -0.129 0.000 1.677 76 Y HN 0.161 8.489 8.280 0.080 0.000 0.584 77 R N 0.798 120.933 120.500 -0.609 0.000 2.563 77 R HA 0.245 4.199 4.340 -0.644 0.000 0.262 77 R C -0.839 175.317 176.300 -0.239 0.000 1.128 77 R CA 0.770 56.614 56.100 -0.428 0.000 0.969 77 R CB 1.413 31.636 30.300 -0.128 0.000 1.251 77 R HN 0.371 8.361 8.270 -0.466 0.000 0.442 78 N N 1.539 120.137 118.700 -0.170 0.000 2.936 78 N HA -0.355 4.359 4.740 -0.043 0.000 0.236 78 N C -1.197 174.256 175.510 -0.095 0.000 0.930 78 N CA 1.556 54.555 53.050 -0.085 0.000 0.966 78 N CB -0.300 38.156 38.487 -0.052 0.000 1.090 78 N HN 0.638 8.917 8.380 -0.168 0.000 0.592 79 I N -3.155 117.306 120.570 -0.182 0.000 3.570 79 I HA -0.045 4.058 4.170 -0.113 0.000 0.270 79 I C -0.512 175.521 176.117 -0.139 0.000 1.162 79 I CA 0.218 61.396 61.300 -0.204 0.000 1.413 79 I CB 2.046 39.813 38.000 -0.388 0.000 1.437 79 I HN -0.415 7.553 8.210 -0.258 0.087 0.457 80 E N 1.454 121.533 120.200 -0.203 0.000 2.314 80 E HA 0.302 4.758 4.350 -0.050 -0.136 0.262 80 E C -0.787 175.779 176.600 -0.057 0.000 1.093 80 E CA -0.754 55.574 56.400 -0.121 0.000 0.908 80 E CB 1.678 31.271 29.700 -0.178 0.000 1.091 80 E HN -0.314 7.863 8.360 -0.305 0.000 0.425 81 K N -0.262 120.142 120.400 0.007 0.000 2.378 81 K HA 0.398 4.747 4.320 0.049 0.000 0.252 81 K C -1.745 174.885 176.600 0.050 0.000 0.931 81 K CA -1.165 55.148 56.287 0.043 0.000 0.794 81 K CB 3.551 36.086 32.500 0.059 0.000 1.181 81 K HN 0.587 8.737 8.250 0.017 0.110 0.425 82 I N 4.044 124.651 120.570 0.061 0.000 2.404 82 I HA 0.892 5.290 4.170 0.041 -0.204 0.293 82 I C -0.121 176.022 176.117 0.042 0.000 0.992 82 I CA -0.979 60.351 61.300 0.050 0.000 1.149 82 I CB 2.059 40.093 38.000 0.057 0.000 1.315 82 I HN 0.384 8.637 8.210 0.071 0.000 0.446 83 S N 6.593 122.318 115.700 0.042 0.000 2.634 83 S HA 0.446 4.928 4.470 0.020 0.000 0.296 83 S C -1.717 172.898 174.600 0.025 0.000 1.104 83 S CA -1.137 57.079 58.200 0.028 0.000 0.920 83 S CB 2.886 66.101 63.200 0.025 0.000 1.111 83 S HN 0.682 9.022 8.310 0.050 0.000 0.493 84 M N 0.013 119.618 119.600 0.008 0.000 2.654 84 M HA 0.172 4.661 4.480 0.015 0.000 0.310 84 M C -1.066 175.226 176.300 -0.014 0.000 1.211 84 M CA -0.712 54.590 55.300 0.002 0.000 0.947 84 M CB 2.302 34.898 32.600 -0.006 0.000 1.647 84 M HN 0.157 8.447 8.290 -0.001 0.000 0.481 85 L N -1.039 120.174 121.223 -0.017 0.000 2.343 85 L HA 0.255 4.695 4.340 -0.047 -0.129 0.275 85 L C -0.913 175.925 176.870 -0.054 0.000 1.056 85 L CA -0.393 54.426 54.840 -0.036 0.000 0.804 85 L CB 0.951 42.996 42.059 -0.024 0.000 1.203 85 L HN 0.602 8.827 8.230 -0.009 0.000 0.440 86 E N 1.469 121.622 120.200 -0.079 0.000 2.175 86 E HA -0.004 4.308 4.350 -0.064 0.000 0.195 86 E C -0.141 176.399 176.600 -0.100 0.000 0.934 86 E CA 0.966 57.317 56.400 -0.082 0.000 0.870 86 E CB 2.274 31.917 29.700 -0.095 0.000 0.838 86 E HN 0.719 9.021 8.360 -0.095 0.000 0.474 87 K N -3.283 117.045 120.400 -0.120 0.000 2.551 87 K HA 0.317 4.619 4.320 -0.237 -0.124 0.269 87 K C -2.383 174.086 176.600 -0.218 0.000 0.949 87 K CA -1.583 54.563 56.287 -0.234 0.000 0.849 87 K CB 4.628 36.934 32.500 -0.324 0.000 1.411 87 K HN -0.670 7.516 8.250 -0.107 0.000 0.432 88 I N 0.870 121.236 120.570 -0.340 0.000 2.474 88 I HA 0.498 4.864 4.170 0.082 -0.147 0.294 88 I C -0.780 175.146 176.117 -0.319 0.000 1.005 88 I CA -1.284 59.940 61.300 -0.128 0.000 1.113 88 I CB 2.953 40.918 38.000 -0.057 0.000 1.289 88 I HN 0.098 8.168 8.210 -0.419 -0.112 0.436 89 Y N 5.084 125.482 120.300 0.162 0.000 2.338 89 Y HA 0.175 4.813 4.550 0.147 0.000 0.333 89 Y C -1.651 174.456 175.900 0.344 0.000 0.968 89 Y CA -0.817 57.418 58.100 0.224 0.000 1.123 89 Y CB 2.395 40.996 38.460 0.235 0.000 1.165 89 Y HN 0.880 9.412 8.280 0.420 0.000 0.452 90 I N 2.209 123.008 120.570 0.381 0.000 2.525 90 I HA 0.214 4.509 4.170 0.208 0.000 0.301 90 I C -0.628 175.587 176.117 0.163 0.000 0.992 90 I CA -1.832 59.609 61.300 0.234 0.000 1.162 90 I CB 1.892 39.987 38.000 0.159 0.000 1.332 90 I HN 0.360 8.754 8.210 0.307 0.000 0.458 91 H N 7.210 126.094 119.070 -0.311 0.000 3.034 91 H HA -0.003 3.781 4.556 -1.286 0.000 0.324 91 H C 0.392 175.620 175.328 -0.167 0.000 1.015 91 H CA 0.933 56.544 56.048 -0.728 0.000 1.429 91 H CB 1.411 30.694 29.762 -0.797 0.000 1.429 91 H HN -0.322 7.868 8.280 -0.150 0.000 0.585 92 P HA -0.181 4.341 4.420 0.169 0.000 0.218 92 P C -0.096 177.344 177.300 0.234 0.000 1.148 92 P CA 1.691 64.882 63.100 0.153 0.000 0.822 92 P CB 0.439 32.195 31.700 0.095 0.000 0.784 93 R N -3.417 117.321 120.500 0.397 0.000 2.694 93 R HA 0.208 4.593 4.340 0.074 0.000 0.334 93 R C -0.453 175.852 176.300 0.008 0.000 1.143 93 R CA -1.382 54.789 56.100 0.119 0.000 1.073 93 R CB -0.419 29.910 30.300 0.047 0.000 1.366 93 R HN -0.246 8.614 8.270 1.034 0.030 0.577 94 Y N 3.659 123.947 120.300 -0.020 0.000 2.544 94 Y HA -0.040 4.701 4.550 -0.134 -0.272 0.330 94 Y C -0.827 175.065 175.900 -0.012 0.000 1.136 94 Y CA -1.024 57.058 58.100 -0.030 0.000 1.417 94 Y CB 0.304 38.814 38.460 0.084 0.000 1.229 94 Y HN -0.689 7.693 8.280 0.305 0.081 0.532 95 N N 7.869 126.418 118.700 -0.251 0.000 2.801 95 N HA 0.144 4.535 4.740 -0.582 0.000 0.235 95 N C -0.943 174.220 175.510 -0.579 0.000 1.069 95 N CA -2.016 50.752 53.050 -0.470 0.000 0.946 95 N CB -0.262 38.054 38.487 -0.285 0.000 1.212 95 N HN 0.308 8.685 8.380 -0.006 0.000 0.509 96 W N 3.429 124.269 121.300 -0.766 0.000 2.666 96 W HA 0.121 4.520 4.660 -0.435 0.000 0.445 96 W C -0.641 175.699 176.519 -0.298 0.000 0.693 96 W CA -2.579 54.433 57.345 -0.554 0.000 2.192 96 W CB -2.337 26.804 29.460 -0.532 0.000 1.086 96 W HN 0.160 7.586 8.180 -1.256 0.000 0.747 97 E N 3.200 123.206 120.200 -0.323 0.000 2.164 97 E HA -0.542 3.673 4.350 -0.226 0.000 0.233 97 E C -0.337 176.097 176.600 -0.276 0.000 1.073 97 E CA 3.591 59.837 56.400 -0.256 0.000 0.941 97 E CB 0.016 29.574 29.700 -0.236 0.000 0.820 97 E HN -0.275 8.123 8.360 -0.385 -0.269 0.486 98 N N -4.910 113.624 118.700 -0.278 0.000 2.241 98 N HA -0.009 4.417 4.740 -0.524 0.000 0.238 98 N C -0.562 174.759 175.510 -0.316 0.000 1.244 98 N CA -0.786 52.042 53.050 -0.370 0.000 0.880 98 N CB 0.057 38.372 38.487 -0.286 0.000 1.179 98 N HN -0.218 8.015 8.380 -0.245 0.000 0.513 99 L N -3.569 117.546 121.223 -0.179 0.000 3.717 99 L HA -0.498 4.039 4.340 0.160 -0.102 0.414 99 L C -1.891 175.064 176.870 0.142 0.000 1.228 99 L CA 0.748 55.620 54.840 0.052 0.000 0.918 99 L CB -2.783 39.306 42.059 0.049 0.000 1.865 99 L HN -0.106 8.004 8.230 -0.200 0.000 0.922 100 D N -1.501 118.925 120.400 0.044 0.000 2.389 100 D HA -0.056 4.643 4.640 0.099 0.000 0.247 100 D C -0.145 176.190 176.300 0.057 0.000 1.128 100 D CA 0.674 54.702 54.000 0.047 0.000 0.884 100 D CB 1.136 41.917 40.800 -0.031 0.000 1.194 100 D HN -0.851 7.584 8.370 -0.049 -0.094 0.441 101 R N -0.875 119.640 120.500 0.024 0.000 3.184 101 R HA -0.413 3.878 4.340 -0.083 0.000 0.257 101 R C -1.462 174.857 176.300 0.032 0.000 0.999 101 R CA 0.882 56.925 56.100 -0.095 0.000 0.670 101 R CB -1.401 28.636 30.300 -0.439 0.000 1.197 101 R HN 0.713 9.016 8.270 0.055 0.000 0.419 102 D N -1.055 119.411 120.400 0.109 0.000 2.558 102 D HA 0.056 4.666 4.640 -0.051 0.000 0.221 102 D C -1.934 174.377 176.300 0.018 0.000 1.143 102 D CA -0.376 53.673 54.000 0.081 0.000 1.010 102 D CB -0.377 40.567 40.800 0.240 0.000 1.068 102 D HN 0.024 8.471 8.370 0.129 0.000 0.511 103 I N 2.476 123.009 120.570 -0.062 0.000 2.827 103 I HA 0.691 5.083 4.170 0.087 -0.170 0.298 103 I C -3.216 172.932 176.117 0.053 0.000 1.235 103 I CA -1.676 59.653 61.300 0.047 0.000 1.021 103 I CB 4.195 42.269 38.000 0.123 0.000 1.259 103 I HN -0.450 7.643 8.210 -0.149 0.028 0.427 104 A N 5.049 127.990 122.820 0.200 0.000 2.594 104 A HA 0.877 5.576 4.320 0.444 -0.113 0.295 104 A C -2.803 175.021 177.584 0.400 0.000 1.071 104 A CA -1.261 50.963 52.037 0.312 0.000 0.685 104 A CB 3.867 22.959 19.000 0.154 0.000 1.285 104 A HN 0.238 8.514 8.150 0.210 0.000 0.405 105 L N 0.252 121.778 121.223 0.505 0.000 2.342 105 L HA 0.880 5.616 4.340 0.385 -0.165 0.271 105 L C -1.258 175.929 176.870 0.527 0.000 1.008 105 L CA -1.677 53.435 54.840 0.453 0.000 0.818 105 L CB 4.279 46.507 42.059 0.282 0.000 1.296 105 L HN 0.709 9.312 8.230 0.620 0.000 0.427 106 M N -0.161 119.723 119.600 0.473 0.000 2.393 106 M HA 0.668 5.506 4.480 0.314 -0.169 0.299 106 M C -1.746 174.644 176.300 0.150 0.000 1.103 106 M CA -1.038 54.442 55.300 0.301 0.000 0.910 106 M CB 4.017 36.720 32.600 0.171 0.000 1.659 106 M HN 0.633 9.206 8.290 0.472 0.000 0.445 107 K N 3.702 124.042 120.400 -0.100 0.000 2.213 107 K HA 0.720 4.566 4.320 -1.078 -0.172 0.270 107 K C -1.323 175.087 176.600 -0.318 0.000 1.002 107 K CA -1.668 54.238 56.287 -0.635 0.000 0.868 107 K CB 2.934 34.998 32.500 -0.728 0.000 1.093 107 K HN 0.845 9.113 8.250 0.029 0.000 0.454 108 L N 5.909 126.944 121.223 -0.314 0.000 2.418 108 L HA 0.144 4.554 4.340 -0.099 -0.129 0.265 108 L C 0.275 177.057 176.870 -0.147 0.000 1.143 108 L CA 0.143 54.891 54.840 -0.154 0.000 0.809 108 L CB 0.364 42.365 42.059 -0.097 0.000 1.124 108 L HN 0.404 8.368 8.230 -0.444 0.000 0.456 109 K N 1.229 121.576 120.400 -0.088 0.000 2.032 109 K HA -0.245 4.029 4.320 -0.075 0.000 0.209 109 K C 0.281 176.840 176.600 -0.067 0.000 1.048 109 K CA 2.370 58.616 56.287 -0.069 0.000 0.927 109 K CB 0.528 33.003 32.500 -0.042 0.000 0.712 109 K HN 0.634 8.745 8.250 -0.065 0.100 0.441 110 K N -3.991 116.373 120.400 -0.059 0.000 2.443 110 K HA 0.390 4.677 4.320 -0.055 0.000 0.251 110 K C -2.829 173.736 176.600 -0.058 0.000 0.972 110 K CA -3.158 53.097 56.287 -0.053 0.000 0.833 110 K CB 1.622 34.100 32.500 -0.036 0.000 1.317 110 K HN -0.240 7.979 8.250 -0.052 0.000 0.441 111 P HA 0.006 4.575 4.420 -0.063 -0.188 0.268 111 P C -0.997 176.259 177.300 -0.073 0.000 1.205 111 P CA -0.401 62.657 63.100 -0.071 0.000 0.771 111 P CB 0.383 32.033 31.700 -0.083 0.000 0.858 112 V N 3.246 123.119 119.914 -0.067 0.000 2.837 112 V HA 0.141 4.242 4.120 -0.033 0.000 0.310 112 V C -1.646 174.344 176.094 -0.174 0.000 1.059 112 V CA -2.369 59.904 62.300 -0.044 0.000 1.004 112 V CB 2.385 34.244 31.823 0.060 0.000 1.045 112 V HN 0.244 8.297 8.190 -0.048 0.109 0.465 113 A N 5.181 127.932 122.820 -0.115 0.000 2.305 113 A HA 0.153 4.224 4.320 -0.415 0.000 0.322 113 A C -0.949 176.616 177.584 -0.032 0.000 1.187 113 A CA -0.771 51.148 52.037 -0.195 0.000 0.825 113 A CB 0.983 19.935 19.000 -0.080 0.000 1.164 113 A HN 0.057 8.188 8.150 -0.032 0.000 0.498 114 F N 1.318 121.293 119.950 0.042 0.000 2.403 114 F HA 0.018 4.650 4.527 0.069 -0.063 0.320 114 F C 0.260 176.097 175.800 0.061 0.000 1.176 114 F CA -0.967 57.071 58.000 0.062 0.000 1.206 114 F CB 0.715 39.754 39.000 0.066 0.000 1.235 114 F HN -0.009 8.022 8.300 -0.449 0.000 0.565 115 S N -0.496 115.366 115.700 0.270 0.000 2.800 115 S HA 0.228 4.749 4.470 0.084 0.000 0.293 115 S C -0.519 174.060 174.600 -0.035 0.000 1.209 115 S CA -0.799 57.460 58.200 0.098 0.000 0.884 115 S CB 1.904 65.177 63.200 0.120 0.000 1.244 115 S HN 0.179 8.565 8.310 0.304 0.106 0.540 116 D N -1.998 118.225 120.400 -0.294 0.000 2.312 116 D HA 0.022 4.476 4.640 -0.311 0.000 0.211 116 D C -0.085 175.856 176.300 -0.598 0.000 0.964 116 D CA 2.366 56.053 54.000 -0.522 0.000 0.877 116 D CB -0.002 40.308 40.800 -0.818 0.000 0.924 116 D HN 0.487 8.673 8.370 -0.308 0.000 0.515 117 Y N -4.738 115.556 120.300 -0.010 0.000 2.442 117 Y HA 0.077 4.575 4.550 -0.087 0.000 0.250 117 Y C -0.415 175.482 175.900 -0.005 0.000 1.113 117 Y CA -0.629 57.449 58.100 -0.036 0.000 1.273 117 Y CB 1.501 39.945 38.460 -0.027 0.000 1.138 117 Y HN -0.642 7.406 8.280 -0.291 0.057 0.522 118 I N -0.986 119.679 120.570 0.158 0.000 2.439 118 I HA 0.380 4.816 4.170 0.144 -0.179 0.285 118 I C -1.760 174.449 176.117 0.154 0.000 1.021 118 I CA -0.849 60.560 61.300 0.183 0.000 1.091 118 I CB 1.540 39.695 38.000 0.259 0.000 1.242 118 I HN -0.709 7.461 8.210 0.128 0.117 0.439 119 H N 8.517 127.534 119.070 -0.088 0.000 3.087 119 H HA 0.295 4.366 4.556 -0.808 0.000 0.348 119 H C -3.127 172.120 175.328 -0.135 0.000 1.092 119 H CA -1.405 54.451 56.048 -0.321 0.000 1.285 119 H CB 4.107 33.775 29.762 -0.157 0.000 1.875 119 H HN -0.091 8.146 8.280 0.091 0.097 0.512 120 P HA 0.133 4.746 4.420 0.066 -0.154 0.276 120 P C -1.695 175.621 177.300 0.027 0.000 1.252 120 P CA -0.690 62.335 63.100 -0.126 0.000 0.802 120 P CB 1.763 33.329 31.700 -0.223 0.000 1.035 121 V N -1.120 118.751 119.914 -0.072 0.000 2.966 121 V HA 0.145 3.974 4.120 -0.485 0.000 0.317 121 V C -0.457 175.484 176.094 -0.255 0.000 1.070 121 V CA -1.899 60.150 62.300 -0.418 0.000 1.008 121 V CB 3.081 34.363 31.823 -0.903 0.000 1.070 121 V HN -0.209 7.969 8.190 -0.020 0.000 0.457 122 C N 4.262 123.367 119.300 -0.326 0.000 2.405 122 C HA 0.213 4.602 4.460 -0.119 0.000 0.365 122 C C -0.890 174.096 174.990 -0.006 0.000 1.233 122 C CA 0.079 58.968 59.018 -0.214 0.000 2.230 122 C CB 0.419 27.824 27.740 -0.558 0.000 2.443 122 C HN -0.162 7.788 8.230 -0.468 0.000 0.556 123 L N 1.731 123.027 121.223 0.121 0.000 2.322 123 L HA 0.431 4.886 4.340 0.193 0.000 0.279 123 L C -0.907 176.158 176.870 0.324 0.000 1.036 123 L CA -2.255 52.705 54.840 0.201 0.000 0.807 123 L CB 1.002 43.151 42.059 0.150 0.000 1.226 123 L HN 0.298 8.585 8.230 0.094 0.000 0.433 124 P HA 0.093 4.513 4.420 0.000 0.000 0.276 124 P C -2.260 175.099 177.300 0.097 0.000 1.244 124 P CA -0.843 62.318 63.100 0.102 0.000 0.801 124 P CB 0.646 32.349 31.700 0.006 0.000 1.006 125 D N -2.243 118.077 120.400 -0.133 0.000 2.340 125 D HA 0.144 4.881 4.640 0.161 0.000 0.243 125 D C 1.093 177.058 176.300 -0.558 0.000 0.988 125 D CA -2.330 51.612 54.000 -0.097 0.000 0.959 125 D CB 2.322 43.090 40.800 -0.054 0.000 1.226 125 D HN -0.399 7.783 8.370 -0.314 0.000 0.509 126 R N -0.260 119.844 120.500 -0.659 0.000 2.159 126 R HA -0.497 2.551 4.340 -2.153 0.000 0.249 126 R C 1.998 177.954 176.300 -0.573 0.000 1.136 126 R CA 4.334 59.877 56.100 -0.928 0.000 0.951 126 R CB -0.008 30.187 30.300 -0.174 0.000 0.876 126 R HN 0.439 8.628 8.270 -0.136 0.000 0.440 127 E N -3.946 116.048 120.200 -0.342 0.000 2.072 127 E HA -0.165 4.056 4.350 -0.216 0.000 0.191 127 E C 0.327 176.752 176.600 -0.291 0.000 0.985 127 E CA 2.197 58.445 56.400 -0.253 0.000 0.801 127 E CB -0.206 29.393 29.700 -0.168 0.000 0.750 127 E HN -0.380 7.889 8.360 -0.272 -0.072 0.452 128 T N 1.190 115.524 114.554 -0.366 0.000 2.817 128 T HA -0.229 3.921 4.350 -0.333 0.000 0.295 128 T C 0.186 174.665 174.700 -0.368 0.000 0.958 128 T CA 3.035 64.884 62.100 -0.418 0.000 1.157 128 T CB -0.477 67.960 68.868 -0.717 0.000 0.898 128 T HN -0.449 7.882 8.240 -0.378 -0.317 0.536 129 L N 0.951 122.131 121.223 -0.070 0.000 2.462 129 L HA -0.396 4.117 4.340 0.288 0.000 0.463 129 L C -0.310 176.512 176.870 -0.081 0.000 0.716 129 L CA 1.743 56.606 54.840 0.037 0.000 2.997 129 L CB -1.815 40.230 42.059 -0.023 0.000 0.811 129 L HN 0.731 8.877 8.230 -0.140 0.000 0.710 130 L N -0.330 120.767 121.223 -0.210 0.000 2.376 130 L HA -0.040 4.102 4.340 -0.330 0.000 0.250 130 L C -1.217 175.437 176.870 -0.360 0.000 1.335 130 L CA -0.020 54.629 54.840 -0.319 0.000 1.214 130 L CB -2.016 39.825 42.059 -0.364 0.000 1.395 130 L HN -0.010 8.101 8.230 -0.199 0.000 0.424 131 Q N 0.406 119.904 119.800 -0.502 0.000 2.377 131 Q HA 0.235 4.327 4.340 -0.413 0.000 0.271 131 Q C -1.144 174.569 176.000 -0.479 0.000 1.077 131 Q CA -1.925 53.509 55.803 -0.614 0.000 0.820 131 Q CB 4.270 32.361 28.738 -1.079 0.000 1.347 131 Q HN -0.131 7.794 8.270 -0.487 0.052 0.444 132 A N 2.465 125.099 122.820 -0.310 0.000 2.520 132 A HA -0.409 3.938 4.320 -0.163 -0.125 0.245 132 A C 0.461 177.981 177.584 -0.106 0.000 1.072 132 A CA 1.224 53.153 52.037 -0.179 0.000 0.761 132 A CB -0.433 18.486 19.000 -0.135 0.000 1.004 132 A HN 0.491 8.470 8.150 -0.285 0.000 0.499 133 G N 3.672 112.462 108.800 -0.017 0.000 2.254 133 G HA2 -0.345 3.648 3.960 0.056 0.000 0.225 133 G HA3 -0.345 3.686 3.960 0.118 0.000 0.225 133 G C -0.839 174.197 174.900 0.227 0.000 1.003 133 G CA -0.271 44.885 45.100 0.094 0.000 0.622 133 G HN 0.439 8.592 8.290 -0.045 0.110 0.507 134 Y N 1.919 122.188 120.300 -0.052 0.000 2.346 134 Y HA -0.044 4.483 4.550 -0.037 0.000 0.330 134 Y C -0.601 175.285 175.900 -0.023 0.000 1.178 134 Y CA -1.196 56.877 58.100 -0.044 0.000 1.331 134 Y CB 0.702 39.123 38.460 -0.065 0.000 1.253 134 Y HN -0.376 7.927 8.280 0.176 0.083 0.529 135 K N 0.644 121.104 120.400 0.099 0.000 2.123 135 K HA 0.641 5.209 4.320 0.085 -0.198 0.259 135 K C -0.331 176.276 176.600 0.011 0.000 0.960 135 K CA -1.043 55.279 56.287 0.058 0.000 0.872 135 K CB 2.831 35.347 32.500 0.027 0.000 1.079 135 K HN 0.099 8.367 8.250 0.030 0.000 0.440 136 G N -0.422 108.336 108.800 -0.069 0.000 2.788 136 G HA2 0.698 4.522 3.960 -0.349 0.000 0.293 136 G HA3 0.698 3.819 3.960 -1.398 0.000 0.293 136 G C -2.755 171.836 174.900 -0.515 0.000 1.305 136 G CA -1.493 43.265 45.100 -0.569 0.000 1.005 136 G HN 0.465 8.777 8.290 0.037 0.000 0.496 137 R N -0.706 119.436 120.500 -0.597 0.000 2.621 137 R HA 0.869 5.288 4.340 -0.156 -0.173 0.292 137 R C -2.030 174.124 176.300 -0.243 0.000 0.969 137 R CA -1.313 54.634 56.100 -0.255 0.000 0.887 137 R CB 4.071 34.334 30.300 -0.062 0.000 1.180 137 R HN 0.346 8.158 8.270 -0.764 0.000 0.450 138 V N 6.744 126.621 119.914 -0.062 0.000 2.680 138 V HA 1.030 5.431 4.120 0.077 -0.235 0.309 138 V C -1.028 175.079 176.094 0.022 0.000 1.052 138 V CA -1.992 60.347 62.300 0.065 0.000 0.908 138 V CB 3.413 35.371 31.823 0.225 0.000 1.001 138 V HN 0.505 8.678 8.190 -0.028 0.000 0.431 139 T N 1.577 116.134 114.554 0.005 0.000 2.906 139 T HA 0.871 5.317 4.350 -0.107 -0.160 0.295 139 T C -1.038 173.577 174.700 -0.141 0.000 1.075 139 T CA -2.552 59.485 62.100 -0.105 0.000 1.005 139 T CB 3.436 72.199 68.868 -0.175 0.000 1.136 139 T HN -0.243 8.028 8.240 0.053 0.000 0.498 140 G N -0.589 108.041 108.800 -0.283 0.000 2.338 140 G HA2 0.223 3.954 3.960 -0.381 0.000 0.295 140 G HA3 0.223 4.313 3.960 -0.065 -0.169 0.295 140 G C -2.299 172.423 174.900 -0.297 0.000 1.461 140 G CA 0.639 45.581 45.100 -0.264 0.000 0.817 140 G HN -0.283 7.802 8.290 -0.341 0.000 0.556 141 W N 0.576 121.899 121.300 0.039 0.000 2.926 141 W HA 0.394 5.057 4.660 0.004 0.000 0.419 141 W C -0.228 176.313 176.519 0.037 0.000 0.993 141 W CA -1.194 56.164 57.345 0.023 0.000 2.025 141 W CB 0.334 29.807 29.460 0.021 0.000 1.152 141 W HN 0.586 8.903 8.180 0.229 0.000 0.659 142 G N 0.762 109.679 108.800 0.196 0.000 2.588 142 G HA2 0.023 4.081 3.960 0.163 0.000 0.278 142 G HA3 0.023 4.348 3.960 0.129 -0.287 0.278 142 G C -0.815 174.153 174.900 0.114 0.000 1.307 142 G CA -0.721 44.468 45.100 0.149 0.000 1.016 142 G HN -0.362 8.163 8.290 0.139 -0.151 0.503 143 N N -1.700 117.057 118.700 0.095 0.000 2.374 143 N HA -0.252 4.690 4.740 0.075 -0.157 0.241 143 N C 0.004 175.554 175.510 0.066 0.000 1.262 143 N CA 0.862 53.957 53.050 0.076 0.000 0.880 143 N CB 0.180 38.707 38.487 0.067 0.000 1.105 143 N HN 0.195 8.634 8.380 0.098 0.000 0.438 144 L N -2.488 118.769 121.223 0.057 0.000 2.513 144 L HA 0.174 4.801 4.340 0.048 -0.258 0.222 144 L C 0.590 177.486 176.870 0.043 0.000 1.096 144 L CA 0.395 55.263 54.840 0.048 0.000 0.857 144 L CB 0.928 43.012 42.059 0.042 0.000 1.026 144 L HN 0.222 8.393 8.230 0.056 0.093 0.469 145 K N -4.542 115.884 120.400 0.042 0.000 2.533 145 K HA 0.151 4.493 4.320 0.037 0.000 0.272 145 K C -1.031 175.593 176.600 0.040 0.000 0.985 145 K CA -0.725 55.584 56.287 0.037 0.000 0.876 145 K CB 2.525 35.043 32.500 0.031 0.000 1.452 145 K HN -0.637 7.641 8.250 0.045 0.000 0.439 146 E N 0.741 120.963 120.200 0.036 0.000 2.077 146 E HA -0.253 4.123 4.350 0.043 0.000 0.193 146 E C 0.005 176.626 176.600 0.035 0.000 0.989 146 E CA 2.454 58.877 56.400 0.038 0.000 0.800 146 E CB 0.547 30.267 29.700 0.034 0.000 0.746 146 E HN 0.419 8.799 8.360 0.033 0.000 0.452 156 Q N -0.332 119.498 119.800 0.049 0.000 2.372 156 Q HA 0.286 4.672 4.340 0.077 0.000 0.273 156 Q C -2.098 173.941 176.000 0.065 0.000 1.078 156 Q CA -2.521 53.322 55.803 0.066 0.000 0.806 156 Q CB 2.885 31.659 28.738 0.061 0.000 1.332 156 Q HN -0.226 8.070 8.270 0.043 0.000 0.435 157 P HA 0.323 4.775 4.420 0.053 0.000 0.280 157 P C -0.320 177.030 177.300 0.083 0.000 1.272 157 P CA -1.185 61.961 63.100 0.077 0.000 0.819 157 P CB 1.855 33.604 31.700 0.082 0.000 1.122 158 S N -1.841 113.891 115.700 0.053 0.000 2.492 158 S HA 0.014 4.503 4.470 0.032 0.000 0.218 158 S C -0.184 174.432 174.600 0.027 0.000 1.016 158 S CA 1.323 59.543 58.200 0.033 0.000 0.916 158 S CB 0.558 63.767 63.200 0.014 0.000 0.791 158 S HN 0.546 8.879 8.310 0.038 0.000 0.513 159 V N 0.293 120.216 119.914 0.015 0.000 3.046 159 V HA 0.335 4.549 4.120 -0.118 -0.165 0.316 159 V C -0.732 175.342 176.094 -0.034 0.000 1.104 159 V CA -1.468 60.763 62.300 -0.115 0.000 1.006 159 V CB 3.915 35.590 31.823 -0.247 0.000 1.058 159 V HN -0.830 7.341 8.190 0.023 0.033 0.440 160 L N 3.247 124.365 121.223 -0.176 0.000 2.485 160 L HA -0.082 3.751 4.340 -0.845 0.000 0.275 160 L C -1.326 175.379 176.870 -0.275 0.000 1.207 160 L CA 0.940 55.494 54.840 -0.478 0.000 0.855 160 L CB 0.838 42.565 42.059 -0.552 0.000 1.114 160 L HN -0.120 7.905 8.230 -0.341 0.000 0.485 161 Q N 2.808 122.446 119.800 -0.269 0.000 2.248 161 Q HA 0.848 5.319 4.340 -0.090 -0.186 0.263 161 Q C -0.546 175.377 176.000 -0.129 0.000 1.007 161 Q CA -2.129 53.596 55.803 -0.130 0.000 0.877 161 Q CB 3.496 32.194 28.738 -0.067 0.000 1.315 161 Q HN 0.001 8.040 8.270 -0.385 0.000 0.454 162 V N -1.412 118.461 119.914 -0.068 0.000 3.049 162 V HA 0.862 5.162 4.120 -0.059 -0.216 0.309 162 V C -1.793 174.301 176.094 -0.001 0.000 1.148 162 V CA -1.598 60.672 62.300 -0.050 0.000 0.990 162 V CB 3.781 35.569 31.823 -0.059 0.000 1.039 162 V HN 0.673 8.837 8.190 -0.043 0.000 0.430 163 V N 1.579 121.506 119.914 0.022 0.000 3.077 163 V HA 0.250 4.408 4.120 0.064 0.000 0.299 163 V C -2.880 173.251 176.094 0.063 0.000 1.276 163 V CA -1.471 60.868 62.300 0.064 0.000 0.993 163 V CB 4.472 36.353 31.823 0.097 0.000 1.076 163 V HN -0.028 8.168 8.190 0.010 0.000 0.434 164 N N 6.252 125.006 118.700 0.089 0.000 2.392 164 N HA 0.679 5.598 4.740 0.007 -0.175 0.283 164 N C -0.870 174.699 175.510 0.099 0.000 1.003 164 N CA -1.049 52.040 53.050 0.065 0.000 0.892 164 N CB 1.651 40.185 38.487 0.079 0.000 1.193 164 N HN 0.186 8.637 8.380 0.119 0.000 0.487 165 L N 2.140 123.391 121.223 0.047 0.000 2.370 165 L HA 0.550 4.754 4.340 -0.227 0.000 0.266 165 L C -2.807 174.020 176.870 -0.072 0.000 1.002 165 L CA -2.972 51.832 54.840 -0.060 0.000 0.818 165 L CB 2.991 45.085 42.059 0.059 0.000 1.325 165 L HN 0.576 8.822 8.230 0.026 0.000 0.418 166 P HA 0.307 4.906 4.420 -0.013 -0.187 0.279 166 P C -0.554 176.703 177.300 -0.072 0.000 1.239 166 P CA -1.016 62.006 63.100 -0.131 0.000 0.789 166 P CB 0.627 32.203 31.700 -0.206 0.000 0.933 167 I N 2.109 122.665 120.570 -0.023 0.000 2.575 167 I HA -0.055 4.168 4.170 -0.100 -0.113 0.285 167 I C -0.006 176.034 176.117 -0.128 0.000 1.085 167 I CA 0.856 62.101 61.300 -0.092 0.000 1.403 167 I CB 0.967 38.882 38.000 -0.142 0.000 1.409 167 I HN 0.366 8.591 8.210 0.025 0.000 0.557 168 V N 5.782 125.589 119.914 -0.178 0.000 2.769 168 V HA 0.218 4.229 4.120 -0.181 0.000 0.312 168 V C -0.626 175.350 176.094 -0.197 0.000 1.058 168 V CA -1.478 60.683 62.300 -0.231 0.000 0.952 168 V CB 2.983 34.540 31.823 -0.445 0.000 1.019 168 V HN -0.013 8.071 8.190 -0.177 0.000 0.445 169 E N 4.024 124.123 120.200 -0.168 0.000 2.415 169 E HA -0.110 4.176 4.350 -0.107 0.000 0.263 169 E C 0.899 177.435 176.600 -0.106 0.000 0.995 169 E CA 0.620 56.949 56.400 -0.117 0.000 0.915 169 E CB 0.327 29.974 29.700 -0.088 0.000 0.951 169 E HN 0.226 8.485 8.360 -0.168 0.000 0.449 170 R N 5.157 125.622 120.500 -0.059 0.000 2.113 170 R HA -0.345 3.990 4.340 -0.007 0.000 0.244 170 R C -0.159 176.141 176.300 -0.000 0.000 1.142 170 R CA 5.483 61.576 56.100 -0.013 0.000 0.953 170 R CB -2.463 27.849 30.300 0.021 0.000 0.860 170 R HN 0.560 8.797 8.270 -0.055 0.000 0.438 171 P HA -0.104 4.332 4.420 0.026 0.000 0.216 171 P C 1.315 178.617 177.300 0.003 0.000 1.150 171 P CA 2.967 66.072 63.100 0.007 0.000 0.837 171 P CB -0.676 31.025 31.700 0.002 0.000 0.786 172 V N -1.327 118.561 119.914 -0.043 0.000 2.548 172 V HA -0.404 3.715 4.120 -0.003 0.000 0.249 172 V C 1.818 177.864 176.094 -0.080 0.000 1.055 172 V CA 4.080 66.340 62.300 -0.067 0.000 1.065 172 V CB -0.556 31.177 31.823 -0.151 0.000 0.681 172 V HN -0.531 7.606 8.190 -0.064 0.015 0.462 173 c N -0.273 118.264 118.600 -0.106 0.000 2.453 173 c HA -0.304 4.202 4.570 -0.106 0.000 0.277 173 c C 2.725 176.955 174.090 0.233 0.000 1.262 173 c CA 3.301 59.633 56.329 0.005 0.000 1.718 173 c CB -1.866 40.652 42.510 0.013 0.000 2.031 173 c HN -0.367 7.688 8.230 -0.113 0.107 0.480 174 K N -0.039 120.459 120.400 0.163 0.000 2.057 174 K HA -0.285 4.149 4.320 0.190 0.000 0.207 174 K C 2.461 179.143 176.600 0.137 0.000 1.049 174 K CA 3.374 59.755 56.287 0.155 0.000 0.931 174 K CB -0.330 32.229 32.500 0.099 0.000 0.714 174 K HN 0.270 8.580 8.250 0.101 0.000 0.440 175 D N -4.584 115.885 120.400 0.115 0.000 2.352 175 D HA -0.011 4.683 4.640 0.091 0.000 0.232 175 D C 0.450 176.838 176.300 0.146 0.000 1.055 175 D CA 1.289 55.353 54.000 0.108 0.000 0.891 175 D CB -0.606 40.242 40.800 0.081 0.000 0.897 175 D HN -0.189 8.237 8.370 0.094 0.000 0.529 176 S N -3.760 112.066 115.700 0.211 0.000 2.524 176 S HA 0.028 4.626 4.470 0.213 0.000 0.215 176 S C -0.780 173.959 174.600 0.231 0.000 0.986 176 S CA 0.578 58.935 58.200 0.262 0.000 0.911 176 S CB 1.746 65.221 63.200 0.458 0.000 0.805 176 S HN -0.425 7.825 8.310 0.228 0.197 0.501 177 T N 0.350 115.025 114.554 0.201 0.000 2.787 177 T HA 0.219 4.651 4.350 0.136 0.000 0.297 177 T C -1.286 173.464 174.700 0.084 0.000 1.221 177 T CA -0.724 61.468 62.100 0.153 0.000 1.006 177 T CB 2.319 71.315 68.868 0.214 0.000 1.328 177 T HN -0.724 7.584 8.240 0.190 0.046 0.509 178 R N 1.090 121.614 120.500 0.039 0.000 2.334 178 R HA 0.178 4.524 4.340 0.010 0.000 0.212 178 R C 0.254 176.528 176.300 -0.043 0.000 0.897 178 R CA 0.137 56.236 56.100 -0.001 0.000 1.056 178 R CB 0.809 31.098 30.300 -0.018 0.000 1.046 178 R HN 0.336 8.629 8.270 0.039 0.000 0.513 179 I N 0.406 120.935 120.570 -0.069 0.000 2.581 179 I HA -0.120 3.948 4.170 -0.170 0.000 0.288 179 I C -0.654 175.409 176.117 -0.091 0.000 1.047 179 I CA -0.496 60.707 61.300 -0.162 0.000 1.374 179 I CB 1.152 38.926 38.000 -0.377 0.000 1.423 179 I HN -0.467 7.675 8.210 -0.030 0.050 0.549 180 R N 4.732 125.168 120.500 -0.106 0.000 2.248 180 R HA -0.076 4.251 4.340 -0.022 0.000 0.328 180 R C -1.090 175.198 176.300 -0.020 0.000 1.067 180 R CA -0.091 55.978 56.100 -0.052 0.000 0.924 180 R CB -0.485 29.774 30.300 -0.067 0.000 1.013 180 R HN 0.154 8.333 8.270 -0.151 0.000 0.454 181 I N 6.451 127.044 120.570 0.038 0.000 2.428 181 I HA 0.011 4.260 4.170 0.131 0.000 0.289 181 I C -0.002 176.168 176.117 0.089 0.000 1.019 181 I CA -2.226 59.137 61.300 0.105 0.000 1.351 181 I CB -0.147 37.949 38.000 0.161 0.000 1.412 181 I HN 0.139 8.373 8.210 0.041 0.000 0.513 182 T N 3.142 117.759 114.554 0.105 0.000 2.841 182 T HA 0.279 4.659 4.350 0.051 0.000 0.276 182 T C 0.061 174.822 174.700 0.101 0.000 1.003 182 T CA -2.156 59.988 62.100 0.073 0.000 0.995 182 T CB 2.790 71.683 68.868 0.043 0.000 1.260 182 T HN -0.372 7.954 8.240 0.143 0.000 0.581 183 D N -2.457 117.983 120.400 0.066 0.000 2.347 183 D HA -0.088 4.612 4.640 0.100 0.000 0.215 183 D C -0.015 176.334 176.300 0.082 0.000 0.976 183 D CA 1.932 55.972 54.000 0.066 0.000 0.884 183 D CB -0.172 40.633 40.800 0.008 0.000 0.915 183 D HN 0.242 8.635 8.370 0.038 0.000 0.526 184 N N -1.811 116.944 118.700 0.091 0.000 2.362 184 N HA -0.016 4.788 4.740 0.106 0.000 0.204 184 N C -1.512 174.144 175.510 0.243 0.000 1.166 184 N CA 0.087 53.216 53.050 0.131 0.000 0.831 184 N CB 0.323 38.850 38.487 0.067 0.000 1.008 184 N HN -0.544 7.824 8.380 0.073 0.055 0.472 185 M N -2.825 116.942 119.600 0.278 0.000 2.618 185 M HA 0.871 5.679 4.480 0.183 -0.217 0.281 185 M C -2.280 174.209 176.300 0.315 0.000 1.267 185 M CA -0.463 54.986 55.300 0.248 0.000 0.845 185 M CB 5.457 38.213 32.600 0.260 0.000 1.732 185 M HN -0.833 7.519 8.290 0.262 0.095 0.461 186 F N -4.644 115.368 119.950 0.103 0.000 2.662 186 F HA 0.646 5.178 4.527 0.008 0.000 0.312 186 F C -2.991 172.687 175.800 -0.203 0.000 1.113 186 F CA -1.548 56.424 58.000 -0.047 0.000 0.951 186 F CB 2.453 41.347 39.000 -0.177 0.000 1.344 186 F HN 0.008 8.161 8.300 -0.246 0.000 0.462 187 c N -2.727 115.757 118.600 -0.194 0.000 2.779 187 c HA 1.098 5.422 4.570 -0.666 -0.154 0.314 187 c C -1.906 172.031 174.090 -0.254 0.000 1.231 187 c CA -3.875 52.101 56.329 -0.588 0.000 1.652 187 c CB 3.956 45.754 42.510 -1.187 0.000 2.198 187 c HN 0.449 8.653 8.230 -0.043 0.000 0.483 188 A N -0.485 122.229 122.820 -0.177 0.000 2.587 188 A HA 0.905 5.239 4.320 -0.119 -0.085 0.293 188 A C -2.066 175.564 177.584 0.076 0.000 1.087 188 A CA -1.200 50.793 52.037 -0.073 0.000 0.692 188 A CB 3.074 21.996 19.000 -0.130 0.000 1.291 188 A HN 0.548 8.591 8.150 -0.178 0.000 0.407 189 G N -0.659 108.171 108.800 0.049 0.000 2.347 189 G HA2 -0.047 3.909 3.960 -0.006 0.000 0.321 189 G HA3 -0.047 4.064 3.960 0.252 0.000 0.321 189 G C -2.239 172.685 174.900 0.040 0.000 1.412 189 G CA 0.419 45.578 45.100 0.098 0.000 0.990 189 G HN 0.280 8.531 8.290 -0.064 0.000 0.637 190 Y N -0.372 120.041 120.300 0.189 0.000 2.335 190 Y HA -0.101 4.676 4.550 0.158 -0.132 0.323 190 Y C 0.587 176.606 175.900 0.199 0.000 1.224 190 Y CA -0.777 57.419 58.100 0.160 0.000 1.241 190 Y CB 1.374 39.888 38.460 0.091 0.000 1.235 190 Y HN 0.183 8.611 8.280 0.247 0.000 0.492 191 K N -0.275 120.342 120.400 0.361 0.000 2.432 191 K HA -0.178 4.365 4.320 0.372 0.000 0.196 191 K C 0.258 176.962 176.600 0.173 0.000 1.038 191 K CA -0.219 56.238 56.287 0.283 0.000 0.986 191 K CB 0.113 32.741 32.500 0.212 0.000 0.782 191 K HN 0.250 8.714 8.250 0.356 0.000 0.485 192 K N -2.078 118.159 120.400 -0.271 0.000 7.205 192 K HA -0.457 3.658 4.320 -0.340 0.000 0.574 192 K C -1.318 175.080 176.600 -0.337 0.000 2.585 192 K CA 1.056 57.024 56.287 -0.531 0.000 2.030 192 K CB -0.263 31.445 32.500 -1.321 0.000 2.103 192 K HN -0.008 8.131 8.250 -0.185 0.000 0.243 193 R N 1.429 121.838 120.500 -0.152 0.000 3.076 193 R HA 0.232 4.659 4.340 0.146 0.000 0.239 193 R C -1.390 175.024 176.300 0.189 0.000 1.392 193 R CA -1.580 54.562 56.100 0.070 0.000 1.044 193 R CB 2.078 32.398 30.300 0.033 0.000 1.389 193 R HN 0.096 8.262 8.270 -0.172 0.000 0.498 194 G N -1.338 107.565 108.800 0.172 0.000 2.326 194 G HA2 -0.139 4.191 3.960 0.122 0.000 0.478 194 G HA3 -0.139 3.954 3.960 0.222 0.000 0.478 194 G C -2.572 172.419 174.900 0.153 0.000 1.551 194 G CA -0.249 44.953 45.100 0.170 0.000 0.946 194 G HN 0.371 9.099 8.290 0.129 -0.361 0.671 195 D N -1.223 119.253 120.400 0.127 0.000 2.807 195 D HA 0.202 4.934 4.640 0.154 0.000 0.279 195 D C -2.482 173.887 176.300 0.115 0.000 1.247 195 D CA -0.215 53.858 54.000 0.121 0.000 0.749 195 D CB 3.152 43.999 40.800 0.078 0.000 1.264 195 D HN -0.263 8.177 8.370 0.116 0.000 0.421 196 A N -1.054 121.837 122.820 0.118 0.000 2.246 196 A HA 0.241 4.626 4.320 0.108 0.000 0.291 196 A C -1.984 175.646 177.584 0.075 0.000 1.103 196 A CA -1.002 51.098 52.037 0.106 0.000 0.844 196 A CB 2.233 21.295 19.000 0.104 0.000 1.136 196 A HN 0.322 8.543 8.150 0.118 0.000 0.500 197 c N -3.426 115.221 118.600 0.078 0.000 3.284 197 c HA 0.161 4.774 4.570 0.070 0.000 0.348 197 c C -1.324 172.820 174.090 0.090 0.000 1.448 197 c CA -0.870 55.504 56.329 0.076 0.000 1.223 197 c CB 3.263 45.815 42.510 0.070 0.000 1.588 197 c HN 0.013 8.515 8.230 0.087 -0.221 0.451 198 E N 2.101 122.355 120.200 0.089 0.000 2.765 198 E HA -0.408 4.010 4.350 0.114 0.000 0.256 198 E C 0.821 177.486 176.600 0.107 0.000 0.935 198 E CA 2.466 58.926 56.400 0.099 0.000 0.954 198 E CB 0.269 30.018 29.700 0.083 0.000 0.908 198 E HN 0.369 8.777 8.360 0.080 0.000 0.500 199 G N 5.576 114.449 108.800 0.122 0.000 2.259 199 G HA2 -0.368 3.670 3.960 0.130 0.000 0.217 199 G HA3 -0.368 3.676 3.960 0.139 0.000 0.217 199 G C 0.634 175.629 174.900 0.159 0.000 1.001 199 G CA 0.725 45.907 45.100 0.137 0.000 0.627 199 G HN 0.531 8.898 8.290 0.130 0.000 0.501 200 D N 1.714 122.198 120.400 0.140 0.000 2.354 200 D HA 0.079 4.804 4.640 0.141 0.000 0.209 200 D C -0.057 176.326 176.300 0.138 0.000 1.015 200 D CA 0.954 55.034 54.000 0.133 0.000 0.867 200 D CB 0.473 41.340 40.800 0.111 0.000 0.933 200 D HN 0.072 8.432 8.370 0.128 0.087 0.520 201 S N -0.931 114.854 115.700 0.142 0.000 2.561 201 S HA -0.295 4.390 4.470 0.160 -0.119 0.294 201 S C 1.242 175.905 174.600 0.104 0.000 1.294 201 S CA 2.071 60.359 58.200 0.147 0.000 1.055 201 S CB -0.424 62.894 63.200 0.197 0.000 0.819 201 S HN -0.275 8.072 8.310 0.145 0.050 0.503 202 G N 3.955 112.816 108.800 0.101 0.000 2.253 202 G HA2 -0.446 3.647 3.960 0.085 0.000 0.251 202 G HA3 -0.446 3.693 3.960 0.071 -0.137 0.251 202 G C -0.219 174.772 174.900 0.151 0.000 0.998 202 G CA 0.494 45.653 45.100 0.097 0.000 0.621 202 G HN 0.565 8.933 8.290 0.131 0.000 0.524 203 G N 0.603 109.503 108.800 0.166 0.000 2.588 203 G HA2 0.440 4.573 3.960 0.187 0.000 0.281 203 G HA3 0.440 4.498 3.960 0.163 0.000 0.281 203 G C -2.775 172.259 174.900 0.223 0.000 1.236 203 G CA -2.222 42.988 45.100 0.184 0.000 0.969 203 G HN -0.503 7.777 8.290 0.157 0.104 0.504 204 P HA 0.381 5.091 4.420 0.261 -0.134 0.286 204 P C -2.021 175.439 177.300 0.266 0.000 1.261 204 P CA -1.146 62.099 63.100 0.241 0.000 0.821 204 P CB 1.696 33.518 31.700 0.204 0.000 1.013 205 F N 3.470 123.508 119.950 0.147 0.000 2.427 205 F HA 0.813 5.598 4.527 0.075 -0.213 0.348 205 F C -2.056 173.808 175.800 0.107 0.000 1.125 205 F CA -2.440 55.607 58.000 0.078 0.000 0.989 205 F CB 3.117 42.070 39.000 -0.079 0.000 1.165 205 F HN -0.127 8.399 8.300 0.376 0.000 0.442 206 V N 3.462 123.240 119.914 -0.228 0.000 3.001 206 V HA 0.941 5.234 4.120 0.075 -0.128 0.314 206 V C -2.273 173.818 176.094 -0.005 0.000 1.099 206 V CA -3.004 59.292 62.300 -0.006 0.000 0.989 206 V CB 3.991 35.872 31.823 0.096 0.000 1.040 206 V HN 0.877 8.846 8.190 -0.369 0.000 0.434 207 M N 0.056 119.737 119.600 0.136 0.000 2.619 207 M HA 0.408 4.903 4.480 0.026 0.000 0.297 207 M C -1.948 174.315 176.300 -0.062 0.000 1.229 207 M CA -0.667 54.659 55.300 0.042 0.000 0.860 207 M CB 5.170 37.774 32.600 0.007 0.000 1.741 207 M HN 0.773 9.172 8.290 0.182 0.000 0.462 208 K N 1.252 121.390 120.400 -0.437 0.000 2.265 208 K HA 0.384 4.328 4.320 -0.867 -0.145 0.267 208 K C -0.812 175.560 176.600 -0.380 0.000 0.994 208 K CA -1.189 54.594 56.287 -0.840 0.000 0.860 208 K CB 1.477 33.068 32.500 -1.514 0.000 1.099 208 K HN 0.303 8.340 8.250 -0.355 0.000 0.448 209 S N 6.851 122.437 115.700 -0.190 0.000 2.121 209 S HA -0.251 4.157 4.470 -0.102 0.000 0.153 209 S C 0.638 175.152 174.600 -0.144 0.000 1.392 209 S CA 1.875 60.024 58.200 -0.086 0.000 2.333 209 S CB 0.895 64.154 63.200 0.098 0.000 0.305 209 S HN 0.789 9.010 8.310 -0.148 0.000 0.351 210 N N -0.107 118.586 118.700 -0.012 0.000 2.139 210 N HA -0.356 4.378 4.740 -0.010 0.000 0.233 210 N C -0.255 175.239 175.510 -0.026 0.000 1.321 210 N CA 1.417 54.466 53.050 -0.001 0.000 0.801 210 N CB -2.202 36.309 38.487 0.039 0.000 1.254 210 N HN 0.569 8.948 8.380 -0.002 0.000 0.625 211 N N -7.188 111.471 118.700 -0.068 0.000 2.778 211 N HA -0.490 4.231 4.740 -0.186 -0.093 0.249 211 N C -1.514 173.898 175.510 -0.164 0.000 1.069 211 N CA 2.002 54.977 53.050 -0.126 0.000 0.831 211 N CB -0.791 37.650 38.487 -0.076 0.000 1.142 211 N HN -0.081 8.255 8.380 -0.073 0.000 0.573 212 R N -2.508 117.906 120.500 -0.143 0.000 2.596 212 R HA 0.185 4.467 4.340 -0.096 0.000 0.267 212 R C -1.148 174.954 176.300 -0.330 0.000 1.026 212 R CA -0.771 55.204 56.100 -0.209 0.000 1.087 212 R CB 2.127 32.221 30.300 -0.344 0.000 1.132 212 R HN -0.494 7.964 8.270 -0.064 -0.227 0.531 213 W N -1.498 119.626 121.300 -0.295 0.000 2.469 213 W HA 0.503 5.273 4.660 -0.105 -0.174 0.320 213 W C -0.315 175.884 176.519 -0.533 0.000 1.086 213 W CA -0.761 56.413 57.345 -0.285 0.000 1.211 213 W CB 1.732 31.030 29.460 -0.270 0.000 1.298 213 W HN 0.185 8.373 8.180 0.014 0.000 0.525 214 Y N 0.306 120.597 120.300 -0.014 0.000 2.485 214 Y HA 0.483 5.168 4.550 -0.102 -0.197 0.345 214 Y C -1.210 174.659 175.900 -0.051 0.000 0.998 214 Y CA -1.668 56.393 58.100 -0.064 0.000 1.059 214 Y CB 4.317 42.750 38.460 -0.044 0.000 1.234 214 Y HN 1.001 9.412 8.280 0.218 0.000 0.461 215 Q N 2.471 122.325 119.800 0.090 0.000 2.390 215 Q HA 0.389 4.920 4.340 0.082 -0.142 0.249 215 Q C -0.562 175.563 176.000 0.209 0.000 0.996 215 Q CA -1.018 54.840 55.803 0.092 0.000 0.899 215 Q CB 1.155 29.909 28.738 0.025 0.000 1.216 215 Q HN 0.279 8.607 8.270 0.096 0.000 0.465 216 M N 5.312 125.077 119.600 0.273 0.000 2.394 216 M HA 0.097 4.699 4.480 0.203 0.000 0.266 216 M C -0.372 176.169 176.300 0.402 0.000 1.098 216 M CA -0.146 55.315 55.300 0.267 0.000 1.149 216 M CB 0.589 33.298 32.600 0.182 0.000 1.369 216 M HN -0.016 8.451 8.290 0.295 0.000 0.450 217 G N -4.129 104.987 108.800 0.526 0.000 2.725 217 G HA2 0.617 5.026 3.960 0.404 0.000 0.288 217 G HA3 0.617 4.757 3.960 0.359 0.036 0.288 217 G C -3.163 171.953 174.900 0.361 0.000 1.399 217 G CA -0.866 44.496 45.100 0.437 0.000 0.859 217 G HN -0.600 8.030 8.290 0.566 0.000 0.479 218 I N -1.428 119.315 120.570 0.290 0.000 2.509 218 I HA 0.576 5.111 4.170 0.291 -0.190 0.293 218 I C -0.410 175.856 176.117 0.249 0.000 1.020 218 I CA -1.511 59.950 61.300 0.268 0.000 1.088 218 I CB 4.259 42.381 38.000 0.203 0.000 1.267 218 I HN -0.374 8.049 8.210 0.212 -0.087 0.430 219 V N 6.786 126.846 119.914 0.242 0.000 2.458 219 V HA -0.198 3.733 4.120 -0.315 0.000 0.287 219 V C -0.957 175.150 176.094 0.021 0.000 1.009 219 V CA 1.962 64.272 62.300 0.017 0.000 1.091 219 V CB -1.227 30.664 31.823 0.113 0.000 0.960 219 V HN 0.503 8.854 8.190 0.269 0.000 0.476 220 S N 7.046 122.668 115.700 -0.130 0.000 2.877 220 S HA 0.276 5.048 4.470 0.328 -0.105 0.230 220 S C -0.583 174.108 174.600 0.151 0.000 0.999 220 S CA 1.124 59.391 58.200 0.112 0.000 0.866 220 S CB 2.580 65.833 63.200 0.087 0.000 0.819 220 S HN 0.129 8.153 8.310 -0.478 0.000 0.607 221 W N -2.159 119.074 121.300 -0.112 0.000 2.959 221 W HA 0.303 4.905 4.660 -0.095 0.000 0.358 221 W C -2.298 174.226 176.519 0.008 0.000 1.228 221 W CA -1.044 56.250 57.345 -0.086 0.000 1.183 221 W CB 1.288 30.669 29.460 -0.132 0.000 1.467 221 W HN -0.446 7.488 8.180 -0.410 0.000 0.578 222 G N -1.331 107.706 108.800 0.394 0.000 2.506 222 G HA2 0.126 4.275 3.960 0.315 0.000 0.292 222 G HA3 0.126 4.164 3.960 0.131 0.000 0.292 222 G C -1.561 173.533 174.900 0.323 0.000 1.425 222 G CA -0.418 44.855 45.100 0.288 0.000 0.788 222 G HN -0.306 8.257 8.290 0.455 0.000 0.490 226 c N 1.739 120.365 118.600 0.045 0.000 2.975 226 c HA 0.382 5.146 4.570 0.046 -0.166 0.234 226 c C -1.282 172.827 174.090 0.032 0.000 1.666 226 c CA -1.201 55.154 56.329 0.043 0.000 1.534 226 c CB -1.158 41.381 42.510 0.049 0.000 2.642 226 c HN 0.093 8.647 8.230 0.040 -0.300 0.516 227 R N -1.069 119.417 120.500 -0.023 0.000 2.728 227 R HA 0.143 4.477 4.340 -0.010 0.000 0.259 227 R C -2.077 174.185 176.300 -0.063 0.000 1.057 227 R CA -0.175 55.910 56.100 -0.025 0.000 0.908 227 R CB 2.712 33.005 30.300 -0.011 0.000 1.259 227 R HN -0.115 8.138 8.270 -0.029 0.000 0.472 228 D N 2.246 122.620 120.400 -0.045 0.000 2.372 228 D HA 0.003 4.591 4.640 -0.086 0.000 0.243 228 D C 1.054 177.305 176.300 -0.082 0.000 1.121 228 D CA 1.237 55.200 54.000 -0.062 0.000 0.898 228 D CB 0.195 40.983 40.800 -0.020 0.000 1.202 228 D HN 0.212 8.569 8.370 -0.022 0.000 0.428 229 G N 0.216 108.939 108.800 -0.128 0.000 2.179 229 G HA2 -0.454 3.498 3.960 -0.013 0.000 0.260 229 G HA3 -0.454 3.500 3.960 -0.009 0.000 0.260 229 G C -0.844 173.942 174.900 -0.190 0.000 0.977 229 G CA 0.334 45.384 45.100 -0.083 0.000 0.641 229 G HN 0.389 8.589 8.290 -0.151 0.000 0.533 230 K N -0.891 119.271 120.400 -0.397 0.000 2.306 230 K HA 0.411 4.674 4.320 -0.094 0.000 0.236 230 K C -1.488 174.602 176.600 -0.849 0.000 1.013 230 K CA -1.664 54.416 56.287 -0.344 0.000 0.857 230 K CB 2.799 35.251 32.500 -0.080 0.000 1.214 230 K HN -0.753 7.193 8.250 -0.369 0.082 0.449 231 Y N -3.121 117.199 120.300 0.032 0.000 2.677 231 Y HA 0.059 4.569 4.550 -0.068 0.000 0.334 231 Y C -1.269 174.508 175.900 -0.204 0.000 1.154 231 Y CA -0.634 57.392 58.100 -0.122 0.000 1.070 231 Y CB 3.419 41.705 38.460 -0.290 0.000 1.294 231 Y HN -0.009 8.356 8.280 0.141 0.000 0.475 232 G N -1.904 106.810 108.800 -0.143 0.000 2.389 232 G HA2 0.563 4.499 3.960 -0.225 0.000 0.328 232 G HA3 0.563 4.387 3.960 -0.227 0.000 0.328 232 G C -2.494 171.955 174.900 -0.751 0.000 1.133 232 G CA -1.519 43.394 45.100 -0.311 0.000 0.891 232 G HN -0.025 8.253 8.290 -0.020 0.000 0.485 233 F N 0.791 120.187 119.950 -0.923 0.000 2.522 233 F HA 0.830 5.153 4.527 -0.621 -0.168 0.324 233 F C -0.967 174.132 175.800 -1.169 0.000 1.077 233 F CA -1.503 55.888 58.000 -1.015 0.000 0.944 233 F CB 4.169 42.145 39.000 -1.708 0.000 1.175 233 F HN 0.706 8.595 8.300 -0.686 0.000 0.468 234 Y N -0.838 119.054 120.300 -0.679 0.000 2.512 234 Y HA 0.686 5.181 4.550 -0.351 -0.156 0.348 234 Y C 0.131 175.747 175.900 -0.474 0.000 0.990 234 Y CA -1.871 55.832 58.100 -0.663 0.000 1.033 234 Y CB 3.429 41.169 38.460 -1.200 0.000 1.259 234 Y HN 0.837 8.790 8.280 -0.546 0.000 0.461 235 T N 4.281 118.820 114.554 -0.026 0.000 2.919 235 T HA -0.022 4.558 4.350 0.129 -0.153 0.302 235 T C -0.721 174.102 174.700 0.205 0.000 1.031 235 T CA 1.148 63.316 62.100 0.113 0.000 1.127 235 T CB 0.633 69.595 68.868 0.157 0.000 0.952 235 T HN 0.345 8.603 8.240 0.029 0.000 0.540 236 H N 7.570 126.775 119.070 0.225 0.000 3.008 236 H HA 0.075 4.978 4.556 0.579 0.000 0.268 236 H C 0.507 175.995 175.328 0.267 0.000 1.323 236 H CA -0.589 55.676 56.048 0.362 0.000 1.401 236 H CB -0.527 29.416 29.762 0.301 0.000 1.556 236 H HN -0.010 8.394 8.280 0.353 0.089 0.502 237 V N 7.649 127.823 119.914 0.433 0.000 2.332 237 V HA -0.495 3.800 4.120 0.293 0.000 0.248 237 V C 1.873 178.171 176.094 0.340 0.000 1.055 237 V CA 4.365 66.871 62.300 0.343 0.000 1.038 237 V CB -0.259 31.743 31.823 0.299 0.000 0.651 237 V HN -0.119 8.312 8.190 0.401 0.000 0.450 238 F N -0.232 119.912 119.950 0.323 0.000 2.126 238 F HA -0.301 4.322 4.527 0.160 0.000 0.299 238 F C 1.583 177.478 175.800 0.159 0.000 1.096 238 F CA 2.843 60.975 58.000 0.220 0.000 1.255 238 F CB -0.157 38.967 39.000 0.207 0.000 0.997 238 F HN -0.351 8.312 8.300 0.605 0.000 0.479 239 R N -2.838 117.637 120.500 -0.042 0.000 2.200 239 R HA -0.269 3.842 4.340 -0.382 0.000 0.234 239 R C 1.110 177.328 176.300 -0.136 0.000 1.127 239 R CA 2.545 58.503 56.100 -0.237 0.000 0.989 239 R CB -0.075 30.075 30.300 -0.250 0.000 0.869 239 R HN -0.589 7.889 8.270 0.347 0.000 0.459 240 L N -3.811 117.411 121.223 -0.001 0.000 2.857 240 L HA 0.305 4.706 4.340 0.101 0.000 0.249 240 L C -0.080 176.878 176.870 0.147 0.000 1.172 240 L CA -0.900 54.008 54.840 0.114 0.000 0.980 240 L CB 0.000 42.176 42.059 0.194 0.000 1.299 240 L HN -0.553 7.569 8.230 0.073 0.152 0.535 241 K N 1.632 122.018 120.400 -0.022 0.000 2.147 241 K HA -0.380 3.978 4.320 0.063 0.000 0.205 241 K C 1.377 177.962 176.600 -0.024 0.000 1.049 241 K CA 3.757 60.031 56.287 -0.021 0.000 0.936 241 K CB -0.239 32.189 32.500 -0.119 0.000 0.722 241 K HN -0.310 7.650 8.250 -0.167 0.190 0.446 242 K N -2.420 117.956 120.400 -0.040 0.000 2.148 242 K HA -0.268 4.020 4.320 -0.053 0.000 0.204 242 K C 2.181 178.790 176.600 0.015 0.000 1.050 242 K CA 2.355 58.629 56.287 -0.023 0.000 0.942 242 K CB -1.289 31.203 32.500 -0.014 0.000 0.724 242 K HN 0.122 8.321 8.250 -0.086 0.000 0.446 243 W N 1.089 122.356 121.300 -0.055 0.000 2.358 243 W HA -0.296 4.314 4.660 -0.082 0.000 0.303 243 W C 1.523 177.987 176.519 -0.092 0.000 1.208 243 W CA 3.808 61.113 57.345 -0.066 0.000 1.274 243 W CB -0.183 29.260 29.460 -0.028 0.000 1.138 243 W HN -0.838 7.483 8.180 0.252 0.010 0.515 244 I N -1.461 119.020 120.570 -0.148 0.000 2.127 244 I HA -0.776 2.950 4.170 -0.740 0.000 0.241 244 I C 2.085 177.915 176.117 -0.477 0.000 1.075 244 I CA 4.210 65.272 61.300 -0.397 0.000 1.334 244 I CB -0.372 37.574 38.000 -0.091 0.000 1.040 244 I HN -0.639 7.588 8.210 0.160 0.079 0.405 245 Q N -1.458 118.169 119.800 -0.287 0.000 2.045 245 Q HA -0.482 3.695 4.340 -0.271 0.000 0.206 245 Q C 2.158 177.966 176.000 -0.320 0.000 0.991 245 Q CA 3.577 59.224 55.803 -0.259 0.000 0.851 245 Q CB -0.337 28.313 28.738 -0.146 0.000 0.911 245 Q HN -0.140 8.021 8.270 -0.182 0.000 0.418 246 K N 0.196 120.409 120.400 -0.313 0.000 2.001 246 K HA -0.356 3.957 4.320 -0.239 -0.136 0.214 246 K C 2.630 178.988 176.600 -0.403 0.000 1.050 246 K CA 3.386 59.489 56.287 -0.306 0.000 0.934 246 K CB 0.033 32.392 32.500 -0.235 0.000 0.718 246 K HN -0.244 7.845 8.250 -0.269 0.000 0.443 247 V N -2.272 117.289 119.914 -0.588 0.000 2.626 247 V HA -0.264 3.764 4.120 -0.154 0.000 0.252 247 V C 1.696 177.484 176.094 -0.510 0.000 1.067 247 V CA 2.866 64.884 62.300 -0.470 0.000 1.081 247 V CB -0.192 31.135 31.823 -0.827 0.000 0.686 247 V HN -0.429 7.278 8.190 -0.804 0.000 0.468 248 I N 1.158 121.309 120.570 -0.698 0.000 2.193 248 I HA -0.535 3.024 4.170 -1.020 0.000 0.240 248 I C 1.096 177.030 176.117 -0.306 0.000 1.084 248 I CA 4.201 65.068 61.300 -0.721 0.000 1.365 248 I CB -0.124 37.403 38.000 -0.789 0.000 1.064 248 I HN -0.203 7.490 8.210 -0.694 0.101 0.410 249 D N -2.957 117.280 120.400 -0.272 0.000 2.363 249 D HA -0.076 4.498 4.640 -0.109 0.000 0.226 249 D C 1.393 177.568 176.300 -0.209 0.000 1.020 249 D CA 1.461 55.357 54.000 -0.174 0.000 0.892 249 D CB -0.402 40.309 40.800 -0.147 0.000 0.900 249 D HN -0.014 8.168 8.370 -0.314 0.000 0.531 250 Q N -2.019 117.579 119.800 -0.335 0.000 2.259 250 Q HA -0.047 4.052 4.340 -0.402 0.000 0.201 250 Q C 0.716 176.320 176.000 -0.660 0.000 0.938 250 Q CA 1.735 57.198 55.803 -0.566 0.000 0.872 250 Q CB 1.083 29.313 28.738 -0.846 0.000 0.971 250 Q HN -0.461 7.432 8.270 -0.345 0.170 0.494 251 F N -3.124 116.810 119.950 -0.028 0.000 2.654 251 F HA 0.325 4.917 4.527 0.108 0.000 0.303 251 F C -1.022 174.908 175.800 0.218 0.000 1.099 251 F CA -0.573 57.491 58.000 0.107 0.000 1.270 251 F CB 1.211 40.301 39.000 0.150 0.000 1.024 251 F HN -0.421 7.758 8.300 -0.203 0.000 0.548 252 G N -2.436 106.538 108.800 0.291 0.000 2.292 252 G HA2 -0.128 3.960 3.960 0.212 0.000 0.194 252 G HA3 -0.128 4.098 3.960 0.442 0.000 0.194 252 G C -3.200 171.898 174.900 0.329 0.000 1.329 252 G CA 0.559 45.858 45.100 0.333 0.000 1.100 252 G HN -0.493 7.875 8.290 0.131 0.000 0.470 253 E N 0.000 120.507 120.200 0.512 0.000 2.725 253 E HA 0.000 4.534 4.350 0.306 0.000 0.291 253 E CA 0.000 56.655 56.400 0.425 0.000 0.976 253 E CB 0.000 29.810 29.700 0.183 0.000 0.812 253 E HN 0.000 8.683 8.360 0.538 0.000 0.440