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 2rtp_1_B DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK VKP 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 13 A HA 0.000 4.410 4.320 0.150 0.000 0.244 13 A C 0.000 177.585 177.584 0.001 0.000 1.274 13 A CA 0.000 52.100 52.037 0.105 0.000 0.836 13 A CB 0.000 19.041 19.000 0.068 0.000 0.831 14 E N 3.860 124.093 120.200 0.055 0.000 2.031 14 E HA -0.385 3.742 4.350 -0.372 0.000 0.193 14 E C 1.627 178.118 176.600 -0.181 0.000 0.994 14 E CA 3.095 59.430 56.400 -0.109 0.000 0.800 14 E CB -0.553 29.174 29.700 0.044 0.000 0.752 14 E HN 0.673 9.109 8.360 0.126 0.000 0.447 15 A N 0.583 123.349 122.820 -0.090 0.000 1.870 15 A HA -0.356 3.913 4.320 -0.085 0.000 0.219 15 A C 2.353 179.871 177.584 -0.111 0.000 1.224 15 A CA 2.909 54.897 52.037 -0.083 0.000 0.650 15 A CB -1.235 17.745 19.000 -0.035 0.000 0.836 15 A HN 0.279 8.405 8.150 -0.039 0.000 0.454 16 G N -3.131 105.605 108.800 -0.108 0.000 2.469 16 G HA2 -0.244 3.726 3.960 0.016 0.000 0.220 16 G HA3 -0.244 3.691 3.960 -0.041 0.000 0.220 16 G C 1.686 176.452 174.900 -0.223 0.000 1.136 16 G CA 1.690 46.735 45.100 -0.092 0.000 0.759 16 G HN 0.378 8.621 8.290 -0.078 0.000 0.562 17 I N 1.351 121.647 120.570 -0.457 0.000 2.406 17 I HA -0.252 3.805 4.170 -0.190 0.000 0.249 17 I C -0.107 175.967 176.117 -0.071 0.000 1.122 17 I CA 1.964 63.044 61.300 -0.366 0.000 1.431 17 I CB 0.263 37.862 38.000 -0.668 0.000 1.087 17 I HN -0.755 7.064 8.210 -0.474 0.107 0.424 18 T N 2.162 116.607 114.554 -0.181 0.000 2.908 18 T HA -0.318 4.110 4.350 -0.199 -0.198 0.301 18 T C -0.076 174.555 174.700 -0.115 0.000 1.019 18 T CA 3.409 65.415 62.100 -0.156 0.000 1.152 18 T CB -0.109 68.663 68.868 -0.159 0.000 0.966 18 T HN -0.327 7.694 8.240 -0.240 0.076 0.540 19 G N 5.399 114.112 108.800 -0.145 0.000 2.350 19 G HA2 -0.111 3.717 3.960 -0.201 0.000 0.282 19 G HA3 -0.111 3.772 3.960 -0.323 -0.117 0.282 19 G C -2.777 171.974 174.900 -0.247 0.000 1.314 19 G CA 0.213 45.174 45.100 -0.230 0.000 0.915 19 G HN 0.225 8.411 8.290 -0.172 0.000 0.499 20 T N 2.593 116.949 114.554 -0.331 0.000 2.771 20 T HA 0.808 5.259 4.350 -0.130 -0.179 0.281 20 T C -1.289 173.207 174.700 -0.340 0.000 0.982 20 T CA 0.409 62.382 62.100 -0.211 0.000 0.978 20 T CB 1.439 70.235 68.868 -0.121 0.000 0.930 20 T HN 0.290 8.176 8.240 -0.369 0.133 0.447 21 W N 5.734 126.984 121.300 -0.084 0.000 2.864 21 W HA 0.659 5.394 4.660 -0.181 -0.184 0.343 21 W C -1.457 175.161 176.519 0.165 0.000 1.109 21 W CA -1.619 55.717 57.345 -0.015 0.000 1.192 21 W CB 3.807 33.350 29.460 0.139 0.000 1.426 21 W HN 1.021 9.310 8.180 0.182 0.000 0.529 22 Y N -4.622 115.995 120.300 0.529 0.000 2.553 22 Y HA 1.076 6.062 4.550 0.339 -0.232 0.347 22 Y C -1.660 174.405 175.900 0.275 0.000 1.019 22 Y CA -3.115 55.190 58.100 0.343 0.000 1.032 22 Y CB 2.259 40.817 38.460 0.164 0.000 1.284 22 Y HN 0.717 8.766 8.280 -0.386 0.000 0.466 23 N N -0.080 118.767 118.700 0.245 0.000 2.815 23 N HA 0.663 5.523 4.740 -0.101 -0.181 0.315 23 N C 2.056 177.618 175.510 0.087 0.000 1.320 23 N CA -2.987 50.002 53.050 -0.102 0.000 0.846 23 N CB 2.139 40.246 38.487 -0.632 0.000 1.344 23 N HN -0.323 8.225 8.380 0.279 0.000 0.593 24 Q N -1.333 118.483 119.800 0.028 0.000 2.291 24 Q HA -0.170 4.229 4.340 0.098 0.000 0.206 24 Q C 0.328 176.363 176.000 0.059 0.000 0.976 24 Q CA 2.417 58.261 55.803 0.068 0.000 0.875 24 Q CB -0.745 28.031 28.738 0.063 0.000 0.927 24 Q HN 0.266 8.504 8.270 -0.053 0.000 0.450 25 L N -3.832 117.424 121.223 0.055 0.000 2.418 25 L HA -0.023 4.345 4.340 0.048 0.000 0.218 25 L C 1.035 177.943 176.870 0.063 0.000 1.125 25 L CA -0.022 54.853 54.840 0.059 0.000 0.835 25 L CB 0.602 42.702 42.059 0.069 0.000 0.953 25 L HN -0.502 7.947 8.230 0.038 -0.197 0.454 26 G N -2.123 106.727 108.800 0.082 0.000 2.138 26 G HA2 -0.192 3.811 3.960 0.072 0.000 0.193 26 G HA3 -0.192 3.798 3.960 0.051 0.000 0.193 26 G C -0.807 174.153 174.900 0.101 0.000 0.998 26 G CA -0.026 45.120 45.100 0.076 0.000 0.668 26 G HN -0.305 8.076 8.290 0.096 -0.033 0.516 27 S N 1.503 117.281 115.700 0.130 0.000 2.601 27 S HA 0.409 5.016 4.470 0.093 -0.081 0.271 27 S C -0.886 173.765 174.600 0.086 0.000 1.305 27 S CA 0.953 59.215 58.200 0.105 0.000 1.022 27 S CB 1.676 64.991 63.200 0.193 0.000 0.940 27 S HN -0.386 8.295 8.310 0.136 -0.290 0.525 28 T N 4.289 118.823 114.554 -0.034 0.000 2.824 28 T HA 0.673 5.277 4.350 0.165 -0.155 0.280 28 T C -1.480 173.136 174.700 -0.139 0.000 0.995 28 T CA -0.177 61.936 62.100 0.021 0.000 1.009 28 T CB 1.624 70.509 68.868 0.028 0.000 0.955 28 T HN 0.728 8.811 8.240 -0.085 0.106 0.452 29 F N 7.940 127.779 119.950 -0.186 0.000 2.536 29 F HA 0.627 5.050 4.527 -0.383 -0.127 0.322 29 F C -3.105 172.628 175.800 -0.112 0.000 1.144 29 F CA -2.349 55.478 58.000 -0.288 0.000 0.924 29 F CB 3.861 42.629 39.000 -0.386 0.000 1.181 29 F HN 0.701 9.128 8.300 0.211 0.000 0.438 30 I N 7.851 128.190 120.570 -0.385 0.000 2.382 30 I HA 0.593 4.735 4.170 -0.306 -0.156 0.286 30 I C -2.249 173.531 176.117 -0.562 0.000 1.002 30 I CA -2.412 58.675 61.300 -0.355 0.000 1.135 30 I CB 0.778 38.670 38.000 -0.179 0.000 1.288 30 I HN 0.847 8.895 8.210 -0.269 0.000 0.448 31 V N 8.668 128.202 119.914 -0.634 0.000 3.007 31 V HA 0.790 4.797 4.120 -0.492 -0.182 0.311 31 V C -2.269 173.603 176.094 -0.370 0.000 1.120 31 V CA -2.561 59.371 62.300 -0.613 0.000 0.980 31 V CB 5.137 36.326 31.823 -1.057 0.000 1.033 31 V HN 0.728 8.616 8.190 -0.503 0.000 0.429 32 T N 9.187 123.565 114.554 -0.294 0.000 2.841 32 T HA 0.291 4.516 4.350 -0.209 0.000 0.285 32 T C -2.125 172.446 174.700 -0.215 0.000 0.991 32 T CA -0.627 61.346 62.100 -0.211 0.000 0.966 32 T CB 2.176 70.957 68.868 -0.145 0.000 0.962 32 T HN 0.561 8.627 8.240 -0.290 0.000 0.438 33 A N 7.601 130.277 122.820 -0.241 0.000 2.274 33 A HA 0.823 5.184 4.320 -0.242 -0.186 0.309 33 A C -0.841 176.711 177.584 -0.053 0.000 1.226 33 A CA -1.966 49.904 52.037 -0.279 0.000 0.853 33 A CB 1.465 20.085 19.000 -0.632 0.000 1.146 33 A HN 0.471 8.482 8.150 -0.232 0.000 0.518 34 G N 1.043 109.893 108.800 0.083 0.000 2.477 34 G HA2 0.268 4.249 3.960 0.036 0.000 0.304 34 G HA3 0.268 4.267 3.960 0.065 0.000 0.304 34 G C -0.115 174.877 174.900 0.153 0.000 1.175 34 G CA -1.492 43.659 45.100 0.084 0.000 0.907 34 G HN 0.712 8.959 8.290 0.134 0.124 0.509 35 A N 0.605 123.475 122.820 0.082 0.000 1.940 35 A HA -0.237 4.134 4.320 0.085 0.000 0.219 35 A C 1.397 178.994 177.584 0.021 0.000 1.176 35 A CA 2.602 54.675 52.037 0.060 0.000 0.631 35 A CB -0.315 18.702 19.000 0.028 0.000 0.814 35 A HN 0.520 8.700 8.150 0.050 0.000 0.446 36 D N -5.428 114.982 120.400 0.017 0.000 2.338 36 D HA -0.176 4.443 4.640 -0.036 0.000 0.239 36 D C 0.168 176.428 176.300 -0.067 0.000 1.095 36 D CA -0.609 53.379 54.000 -0.021 0.000 0.888 36 D CB -1.487 39.311 40.800 -0.003 0.000 0.899 36 D HN -0.131 8.235 8.370 0.034 0.024 0.525 37 G N -2.272 106.457 108.800 -0.118 0.000 2.157 37 G HA2 -0.469 2.790 3.960 -1.169 0.000 0.248 37 G HA3 -0.469 3.298 3.960 -0.323 0.000 0.248 37 G C -1.445 173.502 174.900 0.078 0.000 0.979 37 G CA 0.087 44.969 45.100 -0.363 0.000 0.650 37 G HN -0.260 7.928 8.290 -0.030 0.083 0.529 38 A N -0.025 122.913 122.820 0.197 0.000 2.293 38 A HA 0.553 5.091 4.320 0.153 -0.127 0.302 38 A C -1.694 175.997 177.584 0.180 0.000 1.119 38 A CA -1.455 50.685 52.037 0.173 0.000 0.823 38 A CB 2.434 21.485 19.000 0.084 0.000 1.097 38 A HN -0.619 7.773 8.150 0.161 -0.146 0.491 39 L N 1.355 122.639 121.223 0.102 0.000 2.385 39 L HA 1.013 5.519 4.340 -0.091 -0.222 0.273 39 L C -0.275 176.575 176.870 -0.034 0.000 0.990 39 L CA -1.499 53.331 54.840 -0.017 0.000 0.821 39 L CB 3.047 45.094 42.059 -0.019 0.000 1.279 39 L HN -0.019 8.277 8.230 0.110 0.000 0.412 40 T N -1.573 112.925 114.554 -0.093 0.000 2.883 40 T HA 0.895 5.403 4.350 -0.041 -0.182 0.301 40 T C -0.766 173.850 174.700 -0.140 0.000 1.158 40 T CA -2.056 60.000 62.100 -0.073 0.000 1.007 40 T CB 3.513 72.354 68.868 -0.044 0.000 1.186 40 T HN 0.263 8.418 8.240 -0.142 0.000 0.499 41 G N -0.384 108.351 108.800 -0.108 0.000 2.344 41 G HA2 0.300 4.180 3.960 -0.132 0.000 0.282 41 G HA3 0.300 4.322 3.960 -0.249 -0.212 0.282 41 G C -2.833 172.036 174.900 -0.052 0.000 1.281 41 G CA 1.086 46.100 45.100 -0.142 0.000 0.877 41 G HN -0.372 7.884 8.290 -0.057 0.000 0.494 42 T N -2.287 112.244 114.554 -0.039 0.000 2.903 42 T HA 0.964 5.564 4.350 0.120 -0.177 0.299 42 T C -2.467 172.336 174.700 0.171 0.000 1.093 42 T CA -2.182 59.966 62.100 0.079 0.000 1.002 42 T CB 3.564 72.464 68.868 0.053 0.000 1.127 42 T HN 0.168 8.339 8.240 -0.116 0.000 0.488 43 Y N 2.362 122.763 120.300 0.168 0.000 2.376 43 Y HA 0.618 5.496 4.550 0.264 -0.170 0.340 43 Y C -2.433 173.687 175.900 0.368 0.000 0.965 43 Y CA -1.841 56.418 58.100 0.265 0.000 1.078 43 Y CB 4.574 43.176 38.460 0.236 0.000 1.193 43 Y HN 0.927 9.325 8.280 0.380 0.110 0.452 44 E N 8.381 128.677 120.200 0.159 0.000 2.186 44 E HA 0.538 5.319 4.350 0.432 -0.172 0.255 44 E C -1.825 174.929 176.600 0.257 0.000 0.881 44 E CA -1.677 54.880 56.400 0.263 0.000 0.752 44 E CB 3.159 32.926 29.700 0.112 0.000 1.176 44 E HN 0.860 8.958 8.360 -0.264 0.103 0.421 45 S N 7.547 123.539 115.700 0.487 0.000 2.585 45 S HA 0.091 4.813 4.470 0.421 0.000 0.277 45 S C -0.130 174.582 174.600 0.186 0.000 1.241 45 S CA -1.396 57.036 58.200 0.386 0.000 1.041 45 S CB 1.237 64.584 63.200 0.246 0.000 0.987 45 S HN 0.631 9.315 8.310 0.623 0.000 0.512 46 A N 6.203 129.102 122.820 0.131 0.000 2.147 46 A HA 0.140 4.503 4.320 0.071 0.000 0.211 46 A C -0.317 177.282 177.584 0.025 0.000 1.160 46 A CA 0.811 52.891 52.037 0.072 0.000 0.781 46 A CB 0.770 19.810 19.000 0.067 0.000 0.842 46 A HN 0.284 8.532 8.150 0.163 0.000 0.475 47 V N -5.489 114.419 119.914 -0.010 0.000 3.158 47 V HA 0.574 4.665 4.120 -0.049 0.000 0.311 47 V C -0.317 175.674 176.094 -0.172 0.000 1.181 47 V CA -1.744 60.513 62.300 -0.072 0.000 1.054 47 V CB 2.042 33.824 31.823 -0.068 0.000 1.085 47 V HN -0.350 7.804 8.190 0.007 0.040 0.446 48 G N 0.624 109.320 108.800 -0.174 0.000 2.728 48 G HA2 -0.312 3.522 3.960 -0.210 0.000 0.294 48 G HA3 -0.312 3.409 3.960 -0.398 0.000 0.294 48 G C -1.200 173.585 174.900 -0.190 0.000 1.342 48 G CA -0.407 44.542 45.100 -0.251 0.000 0.866 48 G HN 0.318 8.536 8.290 -0.120 0.000 0.534 49 N N 1.864 120.438 118.700 -0.210 0.000 3.124 49 N HA -0.022 4.686 4.740 -0.054 0.000 0.284 49 N C -1.928 173.523 175.510 -0.098 0.000 1.209 49 N CA -0.852 52.135 53.050 -0.106 0.000 1.149 49 N CB -1.391 37.049 38.487 -0.079 0.000 1.434 49 N HN 0.158 8.372 8.380 -0.278 0.000 0.529 50 A N 2.175 124.967 122.820 -0.046 0.000 2.437 50 A HA 0.398 4.903 4.320 0.309 0.000 0.293 50 A C -1.825 175.936 177.584 0.296 0.000 1.038 50 A CA -0.852 51.269 52.037 0.139 0.000 0.708 50 A CB 2.420 21.324 19.000 -0.161 0.000 1.251 50 A HN -0.364 7.708 8.150 -0.047 0.049 0.409 51 E N 3.175 123.629 120.200 0.424 0.000 2.241 51 E HA 0.353 4.812 4.350 0.182 0.000 0.263 51 E C -0.809 175.863 176.600 0.121 0.000 0.882 51 E CA -0.752 55.778 56.400 0.216 0.000 0.769 51 E CB 2.745 32.505 29.700 0.100 0.000 1.185 51 E HN 0.484 9.208 8.360 0.607 0.000 0.415 52 S N 1.976 117.726 115.700 0.082 0.000 3.880 52 S HA -0.404 4.061 4.470 -0.009 0.000 0.634 52 S C -1.337 173.278 174.600 0.026 0.000 1.968 52 S CA 0.587 58.779 58.200 -0.013 0.000 2.335 52 S CB -0.031 63.105 63.200 -0.106 0.000 0.326 52 S HN 0.426 8.809 8.310 0.121 0.000 1.596 53 R N 1.215 121.680 120.500 -0.059 0.000 2.598 53 R HA 0.516 5.161 4.340 0.222 -0.171 0.279 53 R C -0.953 175.231 176.300 -0.193 0.000 0.984 53 R CA -0.738 55.376 56.100 0.023 0.000 0.999 53 R CB 1.863 32.191 30.300 0.047 0.000 1.114 53 R HN 0.003 8.237 8.270 -0.059 0.000 0.493 54 Y N -1.640 118.779 120.300 0.197 0.000 2.512 54 Y HA 0.196 4.811 4.550 0.108 0.000 0.348 54 Y C -0.817 175.127 175.900 0.074 0.000 0.990 54 Y CA -1.159 57.016 58.100 0.125 0.000 1.033 54 Y CB 3.221 41.735 38.460 0.089 0.000 1.259 54 Y HN 0.334 8.871 8.280 0.427 0.000 0.461 55 V N 2.125 122.136 119.914 0.161 0.000 2.686 55 V HA 0.069 4.374 4.120 0.081 -0.137 0.295 55 V C -0.438 175.704 176.094 0.079 0.000 1.055 55 V CA 1.226 63.579 62.300 0.089 0.000 1.050 55 V CB 0.351 32.203 31.823 0.048 0.000 0.984 55 V HN 0.717 9.001 8.190 0.157 0.000 0.482 56 L N 1.924 123.191 121.223 0.074 0.000 2.370 56 L HA 1.065 5.636 4.340 0.094 -0.174 0.266 56 L C -1.439 175.471 176.870 0.067 0.000 1.002 56 L CA -1.736 53.161 54.840 0.095 0.000 0.818 56 L CB 4.191 46.331 42.059 0.135 0.000 1.325 56 L HN 0.564 8.732 8.230 0.054 0.095 0.418 57 T N 1.196 115.815 114.554 0.109 0.000 2.933 57 T HA 0.702 5.266 4.350 0.057 -0.179 0.305 57 T C -1.284 173.514 174.700 0.164 0.000 1.092 57 T CA -1.505 60.650 62.100 0.092 0.000 1.008 57 T CB 2.254 71.160 68.868 0.064 0.000 1.102 57 T HN -0.072 8.261 8.240 0.156 0.000 0.469 58 G N 3.513 112.406 108.800 0.154 0.000 2.706 58 G HA2 0.702 4.789 3.960 0.211 0.000 0.307 58 G HA3 0.702 4.973 3.960 0.308 -0.126 0.307 58 G C -2.791 172.216 174.900 0.178 0.000 1.307 58 G CA 0.416 45.646 45.100 0.218 0.000 0.790 58 G HN 0.395 8.749 8.290 0.106 0.000 0.503 59 R N -3.440 117.187 120.500 0.212 0.000 2.739 59 R HA 1.163 5.843 4.340 0.225 -0.205 0.271 59 R C -1.745 174.729 176.300 0.291 0.000 1.010 59 R CA -2.252 53.971 56.100 0.206 0.000 0.897 59 R CB 4.877 35.244 30.300 0.112 0.000 1.236 59 R HN 0.102 8.517 8.270 0.242 0.000 0.466 60 Y N -2.910 117.418 120.300 0.047 0.000 2.689 60 Y HA 0.588 5.296 4.550 0.070 -0.116 0.333 60 Y C -2.078 173.843 175.900 0.036 0.000 1.190 60 Y CA -2.737 55.392 58.100 0.048 0.000 1.063 60 Y CB 2.219 40.695 38.460 0.026 0.000 1.294 60 Y HN 0.587 8.856 8.280 0.150 0.101 0.466 61 D N -0.167 120.197 120.400 -0.061 0.000 2.393 61 D HA 0.178 4.696 4.640 -0.202 0.000 0.232 61 D C -0.097 176.018 176.300 -0.308 0.000 1.192 61 D CA -0.931 52.975 54.000 -0.157 0.000 0.882 61 D CB 0.304 41.113 40.800 0.014 0.000 1.038 61 D HN -0.035 8.454 8.370 0.199 0.000 0.499 62 S N 4.776 120.138 115.700 -0.563 0.000 2.453 62 S HA -0.226 3.996 4.470 -0.413 0.000 0.231 62 S C 0.035 174.580 174.600 -0.093 0.000 1.005 62 S CA 1.504 59.447 58.200 -0.428 0.000 0.949 62 S CB 0.322 63.273 63.200 -0.414 0.000 0.774 62 S HN -0.111 7.885 8.310 -0.523 0.000 0.510 63 A N 0.802 123.576 122.820 -0.077 0.000 2.938 63 A HA 0.510 4.837 4.320 0.012 0.000 0.344 63 A C -2.821 174.771 177.584 0.013 0.000 1.142 63 A CA -3.491 48.538 52.037 -0.012 0.000 0.841 63 A CB 0.126 19.113 19.000 -0.022 0.000 1.083 63 A HN -0.652 7.475 8.150 -0.123 -0.051 0.479 64 P HA 0.101 4.773 4.420 0.063 -0.214 0.310 64 P C -1.118 176.214 177.300 0.054 0.000 1.309 64 P CA -0.423 62.719 63.100 0.070 0.000 0.753 64 P CB 1.270 33.041 31.700 0.119 0.000 1.491 65 A N -3.661 119.193 122.820 0.057 0.000 2.311 65 A HA 0.404 4.745 4.320 0.036 0.000 0.334 65 A C 0.699 178.311 177.584 0.046 0.000 1.139 65 A CA -1.896 50.167 52.037 0.043 0.000 0.830 65 A CB 2.476 21.498 19.000 0.038 0.000 1.234 65 A HN -0.367 7.825 8.150 0.069 0.000 0.483 66 T N 0.514 115.090 114.554 0.037 0.000 4.058 66 T HA -0.010 4.366 4.350 0.043 0.000 0.252 66 T C -1.520 173.200 174.700 0.032 0.000 1.264 66 T CA -0.321 61.800 62.100 0.036 0.000 1.094 66 T CB -1.663 67.222 68.868 0.029 0.000 1.316 66 T HN 0.236 8.511 8.240 0.031 -0.016 0.872 67 D N -0.353 120.069 120.400 0.036 0.000 2.825 67 D HA 0.029 4.685 4.640 0.027 0.000 0.327 67 D C -0.640 175.680 176.300 0.033 0.000 1.277 67 D CA -1.151 52.867 54.000 0.030 0.000 0.950 67 D CB 1.507 42.323 40.800 0.026 0.000 1.438 67 D HN 0.221 8.311 8.370 0.043 0.306 0.526 68 G N -2.152 106.664 108.800 0.027 0.000 3.717 68 G HA2 0.119 4.096 3.960 0.028 0.000 0.258 68 G HA3 0.119 4.090 3.960 0.019 0.000 0.258 68 G C -0.736 174.178 174.900 0.024 0.000 1.088 68 G CA -0.445 44.669 45.100 0.024 0.000 1.737 68 G HN -0.148 8.156 8.290 0.023 0.000 0.648 69 S N 0.806 116.527 115.700 0.034 0.000 2.690 69 S HA 0.216 4.703 4.470 0.029 0.000 0.291 69 S C -0.230 174.399 174.600 0.048 0.000 1.138 69 S CA -0.479 57.743 58.200 0.037 0.000 1.013 69 S CB 2.302 65.527 63.200 0.042 0.000 1.053 69 S HN -0.471 7.858 8.310 0.041 0.005 0.539 70 G N -0.783 108.048 108.800 0.050 0.000 2.502 70 G HA2 0.244 4.286 3.960 0.046 0.000 0.305 70 G HA3 0.244 4.231 3.960 0.054 0.005 0.305 70 G C -1.059 173.915 174.900 0.122 0.000 1.190 70 G CA -0.886 44.254 45.100 0.067 0.000 0.933 70 G HN 0.006 8.323 8.290 0.045 0.000 0.503 71 T N 3.861 118.534 114.554 0.198 0.000 2.743 71 T HA 0.087 4.548 4.350 0.184 0.000 0.292 71 T C -0.865 173.966 174.700 0.218 0.000 0.972 71 T CA 0.320 62.563 62.100 0.239 0.000 0.967 71 T CB 0.618 69.705 68.868 0.365 0.000 0.926 71 T HN 0.389 8.655 8.240 0.224 0.109 0.459 72 A N 8.247 131.167 122.820 0.167 0.000 2.425 72 A HA 0.495 5.090 4.320 0.147 -0.187 0.249 72 A C -1.370 176.329 177.584 0.192 0.000 1.084 72 A CA -0.212 51.915 52.037 0.151 0.000 0.781 72 A CB 0.978 20.041 19.000 0.104 0.000 1.019 72 A HN 0.663 8.897 8.150 0.141 0.000 0.490 73 L N -4.365 116.977 121.223 0.199 0.000 2.765 73 L HA 0.988 5.590 4.340 0.242 -0.117 0.263 73 L C -1.039 175.970 176.870 0.232 0.000 1.068 73 L CA -1.004 53.985 54.840 0.248 0.000 0.903 73 L CB 3.025 45.255 42.059 0.286 0.000 1.512 73 L HN 0.083 8.419 8.230 0.175 0.000 0.404 74 G N -3.842 105.131 108.800 0.288 0.000 2.673 74 G HA2 0.732 4.939 3.960 0.132 0.000 0.292 74 G HA3 0.732 4.773 3.960 0.135 0.000 0.292 74 G C -3.212 171.923 174.900 0.392 0.000 1.450 74 G CA 0.716 45.950 45.100 0.225 0.000 0.837 74 G HN -0.126 8.357 8.290 0.322 0.000 0.505 75 W N -3.305 118.056 121.300 0.102 0.000 3.066 75 W HA 0.680 5.480 4.660 0.066 -0.100 0.330 75 W C -3.148 173.454 176.519 0.138 0.000 1.253 75 W CA -1.474 55.919 57.345 0.080 0.000 1.187 75 W CB 2.070 31.542 29.460 0.020 0.000 1.434 75 W HN 0.419 8.572 8.180 -0.045 0.000 0.572 76 T N 1.493 116.224 114.554 0.294 0.000 2.893 76 T HA 0.900 5.509 4.350 0.085 -0.207 0.291 76 T C -1.483 173.290 174.700 0.122 0.000 1.028 76 T CA -0.478 61.705 62.100 0.138 0.000 0.995 76 T CB 3.019 71.917 68.868 0.050 0.000 1.051 76 T HN 0.578 9.021 8.240 0.339 0.000 0.470 77 V N 4.402 124.273 119.914 -0.071 0.000 2.623 77 V HA 0.340 4.474 4.120 -0.215 -0.143 0.304 77 V C -2.353 173.350 176.094 -0.652 0.000 1.054 77 V CA -1.194 60.879 62.300 -0.379 0.000 0.882 77 V CB 3.867 35.267 31.823 -0.705 0.000 1.002 77 V HN 0.493 8.613 8.190 -0.116 0.000 0.424 78 A N 5.126 127.667 122.820 -0.465 0.000 2.305 78 A HA 0.569 4.812 4.320 -0.327 -0.120 0.322 78 A C -0.166 177.173 177.584 -0.408 0.000 1.187 78 A CA -1.752 50.091 52.037 -0.323 0.000 0.825 78 A CB 1.932 20.870 19.000 -0.103 0.000 1.164 78 A HN 0.661 8.631 8.150 -0.300 0.000 0.498 79 W N 4.343 125.585 121.300 -0.097 0.000 1.694 79 W HA -0.034 4.319 4.660 -0.512 0.000 0.425 79 W C -1.512 175.042 176.519 0.058 0.000 0.615 79 W CA -1.443 55.767 57.345 -0.225 0.000 2.237 79 W CB -0.620 28.642 29.460 -0.329 0.000 1.478 79 W HN 0.770 8.912 8.180 -0.063 0.000 0.427 80 K N 1.189 121.798 120.400 0.349 0.000 2.507 80 K HA 0.668 5.356 4.320 0.271 -0.206 0.251 80 K C -1.586 175.172 176.600 0.263 0.000 0.943 80 K CA -1.175 55.270 56.287 0.264 0.000 0.794 80 K CB 2.959 35.513 32.500 0.090 0.000 1.188 80 K HN -0.407 7.922 8.250 0.275 0.087 0.428 81 N N 5.357 124.149 118.700 0.153 0.000 3.479 81 N HA 0.254 4.980 4.740 -0.023 0.000 0.336 81 N C -0.727 174.712 175.510 -0.117 0.000 1.623 81 N CA -1.339 51.688 53.050 -0.039 0.000 0.759 81 N CB 0.802 39.130 38.487 -0.264 0.000 2.016 81 N HN 0.851 9.334 8.380 0.172 0.000 0.637 82 N N -1.500 117.017 118.700 -0.304 0.000 2.463 82 N HA 0.054 4.623 4.740 -0.284 0.000 0.181 82 N C 0.094 175.242 175.510 -0.604 0.000 1.078 82 N CA 2.248 55.000 53.050 -0.496 0.000 0.902 82 N CB 0.255 38.315 38.487 -0.712 0.000 0.970 82 N HN 0.133 8.325 8.380 -0.315 0.000 0.451 83 Y N -2.393 117.893 120.300 -0.023 0.000 2.558 83 Y HA 0.126 4.678 4.550 0.002 0.000 0.273 83 Y C -0.468 175.449 175.900 0.028 0.000 1.100 83 Y CA 0.905 59.003 58.100 -0.003 0.000 1.276 83 Y CB 1.701 40.152 38.460 -0.015 0.000 1.196 83 Y HN -0.586 7.717 8.280 -0.245 -0.170 0.527 84 R N -1.741 118.870 120.500 0.185 0.000 2.817 84 R HA 0.254 4.669 4.340 0.124 0.000 0.268 84 R C -2.663 173.724 176.300 0.145 0.000 1.027 84 R CA -1.130 55.073 56.100 0.171 0.000 0.928 84 R CB 4.015 34.460 30.300 0.240 0.000 1.228 84 R HN 0.104 8.847 8.270 0.159 -0.378 0.469 85 N N 1.058 119.794 118.700 0.059 0.000 2.664 85 N HA 0.339 5.259 4.740 0.017 -0.170 0.268 85 N C -0.490 174.879 175.510 -0.236 0.000 1.222 85 N CA 0.124 53.116 53.050 -0.098 0.000 0.805 85 N CB 1.002 39.340 38.487 -0.248 0.000 1.399 85 N HN 0.387 8.801 8.380 0.056 0.000 0.547 86 A N 4.182 126.966 122.820 -0.061 0.000 2.235 86 A HA -0.006 4.316 4.320 0.002 0.000 0.208 86 A C 0.057 177.650 177.584 0.015 0.000 1.172 86 A CA 0.468 52.492 52.037 -0.021 0.000 0.786 86 A CB 0.104 19.097 19.000 -0.012 0.000 0.804 86 A HN 0.926 9.122 8.150 0.077 0.000 0.479 87 H N -3.746 115.384 119.070 0.099 0.000 2.770 87 H HA -0.372 4.227 4.556 0.071 0.000 0.309 87 H C -1.912 173.457 175.328 0.068 0.000 1.206 87 H CA 1.166 57.256 56.048 0.069 0.000 1.147 87 H CB -3.081 26.704 29.762 0.038 0.000 1.422 87 H HN 0.009 8.306 8.280 -0.331 -0.215 0.420 88 S N -5.039 110.765 115.700 0.174 0.000 2.651 88 S HA 0.967 5.625 4.470 0.122 -0.115 0.279 88 S C -2.464 172.265 174.600 0.215 0.000 1.148 88 S CA -1.414 56.894 58.200 0.180 0.000 0.837 88 S CB 4.345 67.637 63.200 0.153 0.000 1.138 88 S HN -0.417 7.995 8.310 0.171 0.000 0.478 89 A N -1.151 121.752 122.820 0.138 0.000 2.486 89 A HA 0.866 5.219 4.320 -0.198 -0.151 0.300 89 A C -2.314 175.255 177.584 -0.025 0.000 1.048 89 A CA -0.572 51.448 52.037 -0.029 0.000 0.696 89 A CB 3.889 22.856 19.000 -0.055 0.000 1.278 89 A HN 0.735 8.950 8.150 0.110 0.000 0.405 90 T N 3.827 118.287 114.554 -0.156 0.000 2.863 90 T HA 1.066 5.505 4.350 -0.225 -0.224 0.285 90 T C -0.821 173.661 174.700 -0.363 0.000 1.009 90 T CA -1.165 60.749 62.100 -0.310 0.000 0.989 90 T CB 2.751 71.253 68.868 -0.609 0.000 1.004 90 T HN 0.857 8.905 8.240 -0.321 0.000 0.455 91 T N 1.969 116.309 114.554 -0.357 0.000 2.848 91 T HA 0.773 5.247 4.350 -0.118 -0.195 0.285 91 T C -1.302 173.211 174.700 -0.311 0.000 0.995 91 T CA -1.814 60.157 62.100 -0.214 0.000 0.970 91 T CB 2.415 71.218 68.868 -0.109 0.000 0.976 91 T HN 0.520 8.561 8.240 -0.332 0.000 0.441 92 W N 5.397 126.335 121.300 -0.604 0.000 2.478 92 W HA 0.416 5.046 4.660 -0.277 -0.136 0.318 92 W C -1.287 174.932 176.519 -0.500 0.000 1.062 92 W CA -1.267 55.681 57.345 -0.663 0.000 1.210 92 W CB 3.161 31.724 29.460 -1.494 0.000 1.325 92 W HN 0.990 9.023 8.180 -0.246 0.000 0.496 93 S N 2.129 117.792 115.700 -0.062 0.000 2.519 93 S HA 0.697 5.297 4.470 -0.001 -0.131 0.309 93 S C -0.989 173.634 174.600 0.038 0.000 1.100 93 S CA -1.509 56.684 58.200 -0.011 0.000 1.059 93 S CB 1.478 64.673 63.200 -0.008 0.000 1.008 93 S HN 0.755 9.054 8.310 -0.019 0.000 0.478 94 G N 4.552 113.399 108.800 0.079 0.000 2.578 94 G HA2 0.620 4.635 3.960 0.091 0.000 0.302 94 G HA3 0.620 4.835 3.960 0.139 -0.171 0.302 94 G C -3.246 171.733 174.900 0.132 0.000 1.243 94 G CA 0.665 45.832 45.100 0.112 0.000 0.843 94 G HN 0.436 8.783 8.290 0.095 0.000 0.486 95 Q N -2.198 117.684 119.800 0.138 0.000 2.389 95 Q HA 0.811 5.457 4.340 0.168 -0.206 0.277 95 Q C -1.999 174.095 176.000 0.156 0.000 1.082 95 Q CA -1.605 54.283 55.803 0.143 0.000 0.810 95 Q CB 5.372 34.168 28.738 0.097 0.000 1.374 95 Q HN 0.077 8.429 8.270 0.137 0.000 0.422 96 Y N 3.795 124.136 120.300 0.068 0.000 2.342 96 Y HA 0.637 5.366 4.550 0.017 -0.168 0.334 96 Y C -2.428 173.524 175.900 0.087 0.000 1.067 96 Y CA -1.852 56.275 58.100 0.045 0.000 1.128 96 Y CB 2.754 41.225 38.460 0.018 0.000 1.200 96 Y HN 0.822 9.154 8.280 0.279 0.116 0.464 97 V N 6.650 126.159 119.914 -0.674 0.000 2.483 97 V HA 0.255 4.155 4.120 -0.366 0.000 0.297 97 V C -1.513 174.114 176.094 -0.777 0.000 1.027 97 V CA -1.585 60.416 62.300 -0.499 0.000 0.855 97 V CB 3.034 34.748 31.823 -0.181 0.000 0.995 97 V HN 0.462 8.279 8.190 -0.623 0.000 0.424 98 G N 4.941 113.377 108.800 -0.606 0.000 2.557 98 G HA2 0.508 4.322 3.960 -0.244 0.000 0.302 98 G HA3 0.508 4.466 3.960 -0.004 0.000 0.302 98 G C -0.912 173.947 174.900 -0.068 0.000 1.311 98 G CA -1.362 43.591 45.100 -0.246 0.000 1.030 98 G HN 0.426 8.483 8.290 -0.388 0.000 0.509 99 G N -2.472 106.337 108.800 0.016 0.000 2.325 99 G HA2 -0.183 3.792 3.960 0.024 0.000 0.285 99 G HA3 -0.183 3.779 3.960 0.003 0.000 0.285 99 G C -1.130 173.785 174.900 0.025 0.000 1.303 99 G CA -0.484 44.626 45.100 0.017 0.000 0.970 99 G HN -0.171 8.157 8.290 0.063 0.000 0.490 100 A N -0.920 121.911 122.820 0.019 0.000 1.933 100 A HA -0.089 4.240 4.320 0.015 0.000 0.218 100 A C 0.456 178.050 177.584 0.015 0.000 1.175 100 A CA 1.437 53.484 52.037 0.016 0.000 0.628 100 A CB 0.210 19.219 19.000 0.015 0.000 0.814 100 A HN 0.102 8.262 8.150 0.017 0.000 0.444 101 E N -0.720 119.493 120.200 0.021 0.000 2.121 101 E HA 0.101 4.465 4.350 0.022 0.000 0.255 101 E C -2.053 174.573 176.600 0.042 0.000 0.906 101 E CA -1.106 55.313 56.400 0.031 0.000 0.745 101 E CB 0.287 30.011 29.700 0.040 0.000 1.155 101 E HN -0.083 8.279 8.360 0.020 0.010 0.424 102 A N 5.411 128.266 122.820 0.058 0.000 2.331 102 A HA 0.252 4.732 4.320 0.013 -0.152 0.283 102 A C -0.958 176.805 177.584 0.299 0.000 1.142 102 A CA -0.430 51.682 52.037 0.125 0.000 0.812 102 A CB 1.782 20.930 19.000 0.247 0.000 1.074 102 A HN 0.299 8.464 8.150 0.025 0.000 0.497 103 R N -0.898 119.749 120.500 0.245 0.000 2.808 103 R HA 0.977 5.858 4.340 0.557 -0.207 0.272 103 R C -1.640 174.770 176.300 0.183 0.000 0.995 103 R CA -3.142 53.151 56.100 0.320 0.000 0.917 103 R CB 4.491 34.895 30.300 0.174 0.000 1.217 103 R HN 0.365 8.652 8.270 0.029 0.000 0.471 104 I N 0.928 121.609 120.570 0.186 0.000 2.439 104 I HA 0.504 4.941 4.170 0.092 -0.212 0.285 104 I C -1.611 174.667 176.117 0.268 0.000 1.021 104 I CA -1.156 60.207 61.300 0.105 0.000 1.091 104 I CB 2.889 40.807 38.000 -0.136 0.000 1.242 104 I HN 0.240 8.639 8.210 0.315 0.000 0.439 105 N N 8.746 127.568 118.700 0.204 0.000 2.419 105 N HA 0.563 5.444 4.740 0.236 0.000 0.277 105 N C -0.737 174.906 175.510 0.222 0.000 1.006 105 N CA -0.913 52.259 53.050 0.203 0.000 0.923 105 N CB 2.227 40.787 38.487 0.122 0.000 1.140 105 N HN 0.435 8.907 8.380 0.153 0.000 0.488 106 T N -0.087 114.637 114.554 0.283 0.000 2.865 106 T HA 0.691 5.285 4.350 0.173 -0.141 0.294 106 T C -1.056 173.778 174.700 0.222 0.000 1.119 106 T CA -2.035 60.222 62.100 0.262 0.000 1.007 106 T CB 3.507 72.607 68.868 0.387 0.000 1.225 106 T HN 0.880 9.311 8.240 0.318 0.000 0.515 107 Q N 0.177 120.048 119.800 0.119 0.000 2.372 107 Q HA 0.714 5.155 4.340 -0.089 -0.154 0.273 107 Q C -1.775 174.187 176.000 -0.064 0.000 1.078 107 Q CA -0.898 54.880 55.803 -0.041 0.000 0.806 107 Q CB 5.015 33.711 28.738 -0.071 0.000 1.332 107 Q HN 0.350 8.681 8.270 0.101 0.000 0.435 108 W N -1.056 120.127 121.300 -0.195 0.000 2.975 108 W HA 0.959 5.518 4.660 -0.409 -0.144 0.342 108 W C -2.929 173.395 176.519 -0.324 0.000 1.168 108 W CA -2.934 54.157 57.345 -0.423 0.000 1.141 108 W CB 3.493 32.401 29.460 -0.920 0.000 1.445 108 W HN 0.957 8.557 8.180 -0.790 0.106 0.560 109 L N -0.564 120.704 121.223 0.074 0.000 2.381 109 L HA 0.791 5.369 4.340 0.041 -0.214 0.274 109 L C -1.823 175.094 176.870 0.078 0.000 0.988 109 L CA -1.219 53.654 54.840 0.054 0.000 0.824 109 L CB 2.882 44.919 42.059 -0.036 0.000 1.263 109 L HN 0.262 8.465 8.230 -0.044 0.000 0.410 110 L N 5.563 126.879 121.223 0.155 0.000 2.316 110 L HA 0.714 5.205 4.340 -0.039 -0.175 0.280 110 L C -1.757 175.127 176.870 0.023 0.000 1.006 110 L CA -1.601 53.258 54.840 0.032 0.000 0.836 110 L CB 3.050 45.106 42.059 -0.005 0.000 1.221 110 L HN 0.861 9.222 8.230 0.218 0.000 0.418 111 T N 9.475 124.034 114.554 0.008 0.000 2.797 111 T HA 0.698 5.277 4.350 -0.009 -0.235 0.279 111 T C -0.784 173.925 174.700 0.016 0.000 0.991 111 T CA -0.425 61.676 62.100 0.001 0.000 0.979 111 T CB 1.960 70.826 68.868 -0.003 0.000 0.943 111 T HN 0.922 9.165 8.240 0.005 0.000 0.444 112 S N 6.988 122.687 115.700 -0.002 0.000 2.549 112 S HA 0.408 5.030 4.470 0.047 -0.124 0.297 112 S C -0.024 174.581 174.600 0.008 0.000 1.115 112 S CA -0.260 57.948 58.200 0.012 0.000 1.059 112 S CB 2.563 65.751 63.200 -0.019 0.000 1.046 112 S HN 0.342 8.639 8.310 -0.023 0.000 0.506 113 G N 2.458 111.278 108.800 0.033 0.000 2.442 113 G HA2 0.023 3.986 3.960 0.006 0.000 0.249 113 G HA3 0.023 3.995 3.960 0.021 0.000 0.249 113 G C -0.584 174.303 174.900 -0.022 0.000 1.263 113 G CA 0.328 45.434 45.100 0.010 0.000 0.846 113 G HN 0.140 8.474 8.290 0.074 0.000 0.555 114 T N -1.320 113.215 114.554 -0.032 0.000 2.778 114 T HA 0.128 4.446 4.350 -0.053 0.000 0.293 114 T C -0.873 173.807 174.700 -0.034 0.000 1.144 114 T CA -1.569 60.503 62.100 -0.047 0.000 1.010 114 T CB 2.495 71.320 68.868 -0.072 0.000 1.325 114 T HN -0.387 7.839 8.240 -0.024 0.000 0.515 115 T N -2.849 111.687 114.554 -0.031 0.000 2.816 115 T HA 0.136 4.478 4.350 -0.013 0.000 0.282 115 T C 1.037 175.738 174.700 0.001 0.000 0.993 115 T CA -1.213 60.880 62.100 -0.013 0.000 0.994 115 T CB 1.069 69.932 68.868 -0.009 0.000 1.025 115 T HN -0.164 8.052 8.240 -0.039 0.000 0.529 116 E N 1.283 121.492 120.200 0.014 0.000 2.130 116 E HA -0.453 3.913 4.350 0.027 0.000 0.196 116 E C 2.171 178.806 176.600 0.058 0.000 0.998 116 E CA 3.124 59.542 56.400 0.030 0.000 0.806 116 E CB -0.297 29.420 29.700 0.029 0.000 0.738 116 E HN 0.472 8.838 8.360 0.010 0.000 0.459 117 A N -1.508 121.348 122.820 0.059 0.000 1.908 117 A HA -0.164 4.228 4.320 0.120 0.000 0.218 117 A C 1.403 179.081 177.584 0.157 0.000 1.181 117 A CA 2.507 54.606 52.037 0.103 0.000 0.627 117 A CB -0.712 18.333 19.000 0.076 0.000 0.818 117 A HN 0.189 8.345 8.150 0.040 0.017 0.445 118 N N -3.527 115.200 118.700 0.045 0.000 2.235 118 N HA 0.090 4.760 4.740 -0.117 0.000 0.209 118 N C 0.452 175.841 175.510 -0.200 0.000 1.122 118 N CA 0.130 53.115 53.050 -0.109 0.000 0.845 118 N CB 0.312 38.706 38.487 -0.156 0.000 1.004 118 N HN -0.536 7.763 8.380 0.017 0.091 0.499 119 A N 1.774 124.572 122.820 -0.035 0.000 1.978 119 A HA -0.133 4.150 4.320 -0.062 0.000 0.220 119 A C 1.838 179.411 177.584 -0.018 0.000 1.170 119 A CA 3.003 55.025 52.037 -0.025 0.000 0.636 119 A CB -0.482 18.540 19.000 0.036 0.000 0.810 119 A HN -0.447 7.531 8.150 0.039 0.195 0.448 120 W N -5.085 116.212 121.300 -0.005 0.000 2.387 120 W HA -0.228 4.427 4.660 -0.008 0.000 0.272 120 W C -0.300 176.214 176.519 -0.008 0.000 1.224 120 W CA 0.773 58.113 57.345 -0.007 0.000 1.210 120 W CB -0.898 28.558 29.460 -0.008 0.000 1.125 120 W HN -0.183 8.127 8.180 0.247 0.018 0.572 121 K N -2.481 117.450 120.400 -0.782 0.000 2.699 121 K HA 0.341 4.361 4.320 -0.501 0.000 0.210 121 K C -0.085 176.287 176.600 -0.381 0.000 1.076 121 K CA -0.716 55.112 56.287 -0.764 0.000 1.109 121 K CB -0.085 31.596 32.500 -1.365 0.000 0.862 121 K HN -0.538 7.020 8.250 -0.886 0.160 0.470 122 S N -0.892 114.671 115.700 -0.228 0.000 2.501 122 S HA -0.051 4.330 4.470 -0.148 0.000 0.220 122 S C -0.556 173.995 174.600 -0.081 0.000 0.997 122 S CA 1.291 59.411 58.200 -0.133 0.000 0.919 122 S CB 0.967 64.116 63.200 -0.086 0.000 0.778 122 S HN -0.285 7.762 8.310 -0.190 0.149 0.523 123 T N 4.691 119.204 114.554 -0.068 0.000 2.792 123 T HA 0.625 5.215 4.350 -0.018 -0.251 0.280 123 T C -0.472 174.214 174.700 -0.023 0.000 0.990 123 T CA -0.177 61.904 62.100 -0.031 0.000 0.960 123 T CB 2.137 70.993 68.868 -0.021 0.000 0.939 123 T HN -0.677 7.515 8.240 -0.079 0.000 0.439 124 L N 6.083 127.318 121.223 0.021 0.000 2.344 124 L HA 0.554 4.882 4.340 -0.021 0.000 0.272 124 L C -1.456 175.394 176.870 -0.032 0.000 1.035 124 L CA -0.872 53.989 54.840 0.036 0.000 0.807 124 L CB 2.759 44.913 42.059 0.159 0.000 1.237 124 L HN 0.765 8.920 8.230 0.049 0.104 0.442 125 V N 0.259 120.006 119.914 -0.278 0.000 2.841 125 V HA 0.959 4.883 4.120 -0.681 -0.213 0.310 125 V C -1.581 173.874 176.094 -1.066 0.000 1.090 125 V CA -2.404 59.529 62.300 -0.611 0.000 0.930 125 V CB 3.678 35.305 31.823 -0.326 0.000 1.014 125 V HN 0.030 8.083 8.190 -0.228 0.000 0.425 126 G N 5.053 112.773 108.800 -1.800 0.000 2.634 126 G HA2 0.288 3.750 3.960 -0.830 0.000 0.309 126 G HA3 0.288 3.119 3.960 -1.882 0.000 0.309 126 G C -3.333 170.796 174.900 -1.286 0.000 1.299 126 G CA 0.276 44.433 45.100 -1.573 0.000 0.798 126 G HN 0.030 7.198 8.290 -1.870 0.000 0.490 127 H N -4.028 114.704 119.070 -0.564 0.000 2.974 127 H HA 0.435 4.965 4.556 -0.183 -0.084 0.366 127 H C -1.867 173.594 175.328 0.222 0.000 1.155 127 H CA -1.369 54.591 56.048 -0.148 0.000 1.186 127 H CB 3.440 33.138 29.762 -0.107 0.000 1.799 127 H HN 0.053 7.747 8.280 -0.977 0.000 0.541 128 D N 1.404 122.069 120.400 0.442 0.000 2.671 128 D HA 0.422 5.277 4.640 0.193 -0.100 0.232 128 D C -1.130 175.281 176.300 0.184 0.000 1.114 128 D CA -0.517 53.655 54.000 0.286 0.000 0.858 128 D CB 4.588 45.552 40.800 0.272 0.000 1.544 128 D HN 0.050 8.711 8.370 0.486 0.000 0.471 129 T N 4.112 118.664 114.554 -0.004 0.000 2.812 129 T HA 0.708 5.378 4.350 0.218 -0.189 0.282 129 T C -1.189 173.452 174.700 -0.098 0.000 0.990 129 T CA -0.145 62.001 62.100 0.076 0.000 0.960 129 T CB 1.911 70.848 68.868 0.115 0.000 0.948 129 T HN 0.248 8.740 8.240 -0.072 -0.295 0.438 130 F N 6.492 126.558 119.950 0.193 0.000 2.480 130 F HA 0.718 5.589 4.527 0.207 -0.220 0.329 130 F C -0.096 175.879 175.800 0.292 0.000 1.091 130 F CA -1.812 56.324 58.000 0.226 0.000 0.972 130 F CB 3.420 42.548 39.000 0.214 0.000 1.150 130 F HN 0.980 9.461 8.300 0.483 0.109 0.467 131 T N 4.050 118.734 114.554 0.217 0.000 2.829 131 T HA 0.484 5.109 4.350 0.208 -0.149 0.280 131 T C -1.140 173.285 174.700 -0.458 0.000 0.999 131 T CA -0.715 61.339 62.100 -0.076 0.000 0.983 131 T CB 2.337 71.069 68.868 -0.227 0.000 0.968 131 T HN 0.858 9.089 8.240 -0.015 0.000 0.446 132 K N 6.330 126.413 120.400 -0.527 0.000 2.174 132 K HA 0.098 3.782 4.320 -1.291 -0.139 0.275 132 K C -1.049 175.255 176.600 -0.493 0.000 1.015 132 K CA 0.517 56.176 56.287 -1.046 0.000 0.933 132 K CB 1.158 32.780 32.500 -1.463 0.000 1.025 132 K HN -0.273 7.815 8.250 -0.270 0.000 0.463 133 V N 4.692 124.380 119.914 -0.376 0.000 3.054 133 V HA 0.230 4.351 4.120 0.003 0.000 0.227 133 V C -0.725 175.284 176.094 -0.142 0.000 1.252 133 V CA -0.118 62.143 62.300 -0.065 0.000 1.279 133 V CB 2.804 34.741 31.823 0.190 0.000 1.118 133 V HN 0.775 8.640 8.190 -0.541 0.000 0.504 134 K N -0.025 120.260 120.400 -0.191 0.000 2.238 134 K HA 0.526 4.767 4.320 -0.131 0.000 0.239 134 K C -2.152 174.305 176.600 -0.238 0.000 0.987 134 K CA -3.442 52.746 56.287 -0.165 0.000 0.857 134 K CB 0.616 33.047 32.500 -0.115 0.000 1.154 134 K HN -0.585 7.533 8.250 -0.221 0.000 0.439 135 P HA 0.000 4.476 4.420 -0.200 -0.176 0.216 135 P CA 0.000 63.001 63.100 -0.165 0.000 0.800 135 P CB 0.000 31.629 31.700 -0.118 0.000 0.726