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 1dc7_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQRGIVWVVD DDSSIRWVLE RALAGAGLTC TTFENGNEVL AALASKTPDV DATA SEQUENCE LLSDIRMPGM DGLALLKQIK QRHPMLPVII MTAHSDLDAA VSAYQQGAFD DATA SEQUENCE YLPKPFDIDE AVALVERAIS HYQE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.483 4.480 0.005 0.000 0.227 1 M C 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.605 32.600 0.008 0.000 1.302 2 Q N 0.835 120.638 119.800 0.005 0.000 3.050 2 Q HA -0.347 3.996 4.340 0.004 0.000 0.074 2 Q C -1.567 174.427 176.000 -0.010 0.000 1.613 2 Q CA 1.007 56.810 55.803 0.000 0.000 0.348 2 Q CB -0.031 28.708 28.738 0.002 0.000 0.599 2 Q HN 0.229 8.503 8.270 0.008 0.000 0.321 3 R N 4.448 124.937 120.500 -0.019 0.000 2.487 3 R HA 0.023 4.339 4.340 -0.040 0.000 0.159 3 R C -1.976 174.296 176.300 -0.046 0.000 1.227 3 R CA -0.082 55.999 56.100 -0.032 0.000 0.887 3 R CB 0.944 31.230 30.300 -0.022 0.000 1.348 3 R HN 0.630 8.891 8.270 -0.016 0.000 0.623 4 G N -1.274 107.490 108.800 -0.061 0.000 2.885 4 G HA2 -0.222 3.811 3.960 -0.116 0.000 0.685 4 G HA3 -0.222 3.695 3.960 -0.073 0.000 0.685 4 G C -3.243 171.633 174.900 -0.040 0.000 1.216 4 G CA -0.530 44.525 45.100 -0.076 0.000 0.790 4 G HN -0.472 7.782 8.290 -0.060 0.000 0.631 5 I N 1.750 122.288 120.570 -0.052 0.000 2.689 5 I HA 0.234 4.480 4.170 0.046 -0.048 0.299 5 I C -1.133 174.986 176.117 0.002 0.000 1.059 5 I CA -1.988 59.311 61.300 -0.002 0.000 1.055 5 I CB 3.186 41.175 38.000 -0.018 0.000 1.243 5 I HN 0.144 8.352 8.210 -0.093 -0.054 0.425 6 V N 4.146 124.128 119.914 0.114 0.000 2.610 6 V HA 0.221 4.581 4.120 0.075 -0.195 0.298 6 V C -1.419 174.896 176.094 0.369 0.000 1.067 6 V CA -1.055 61.333 62.300 0.147 0.000 0.894 6 V CB 3.676 35.551 31.823 0.088 0.000 1.015 6 V HN 0.335 8.636 8.190 0.185 0.000 0.432 7 W N 7.698 129.060 121.300 0.104 0.000 2.332 7 W HA 0.316 5.289 4.660 0.247 -0.165 0.306 7 W C -0.547 176.092 176.519 0.199 0.000 1.149 7 W CA -2.582 54.902 57.345 0.231 0.000 1.271 7 W CB -0.084 29.549 29.460 0.288 0.000 1.243 7 W HN -0.008 8.370 8.180 0.330 0.000 0.459 8 V N 3.644 123.746 119.914 0.314 0.000 2.607 8 V HA 0.204 4.637 4.120 0.213 -0.186 0.289 8 V C -0.512 175.718 176.094 0.227 0.000 1.053 8 V CA -0.194 62.228 62.300 0.204 0.000 0.996 8 V CB 1.036 32.916 31.823 0.095 0.000 0.995 8 V HN 0.712 8.905 8.190 0.202 0.118 0.476 9 V N 4.676 124.711 119.914 0.202 0.000 2.467 9 V HA 0.265 4.638 4.120 0.192 -0.138 0.260 9 V C -1.901 174.274 176.094 0.134 0.000 0.963 9 V CA -1.044 61.368 62.300 0.188 0.000 0.856 9 V CB 0.228 32.180 31.823 0.214 0.000 1.087 9 V HN -0.158 8.260 8.190 0.186 -0.115 0.467 10 D N 4.621 125.082 120.400 0.101 0.000 2.575 10 D HA 0.136 4.847 4.640 0.081 -0.022 0.236 10 D C -1.413 174.923 176.300 0.061 0.000 1.075 10 D CA -1.961 52.083 54.000 0.074 0.000 0.860 10 D CB 3.590 44.422 40.800 0.053 0.000 1.475 10 D HN -0.211 8.214 8.370 0.092 0.000 0.474 11 D N 1.377 121.809 120.400 0.053 0.000 2.370 11 D HA 0.031 4.698 4.640 0.046 0.000 0.230 11 D C -1.080 175.242 176.300 0.037 0.000 1.143 11 D CA 0.373 54.400 54.000 0.044 0.000 0.834 11 D CB 0.294 41.119 40.800 0.042 0.000 0.944 11 D HN 0.140 8.541 8.370 0.053 0.000 0.504 12 D N -1.225 119.198 120.400 0.037 0.000 2.497 12 D HA 0.228 4.890 4.640 0.037 0.000 0.243 12 D C -1.142 175.189 176.300 0.051 0.000 1.039 12 D CA -1.378 52.644 54.000 0.038 0.000 1.052 12 D CB 2.639 43.455 40.800 0.027 0.000 1.344 12 D HN -0.680 7.736 8.370 0.039 -0.022 0.553 13 S N -1.766 113.978 115.700 0.074 0.000 2.558 13 S HA 0.259 4.793 4.470 0.107 0.000 0.238 13 S C -0.636 174.100 174.600 0.227 0.000 1.183 13 S CA -0.368 57.903 58.200 0.119 0.000 1.185 13 S CB 0.048 63.303 63.200 0.091 0.000 1.003 13 S HN 0.095 8.448 8.310 0.071 0.000 0.478 14 S N 0.649 116.442 115.700 0.155 0.000 3.019 14 S HA 0.072 4.835 4.470 0.488 0.000 0.258 14 S C 0.919 175.391 174.600 -0.213 0.000 1.082 14 S CA 1.326 59.592 58.200 0.110 0.000 0.836 14 S CB 0.306 63.519 63.200 0.020 0.000 0.834 14 S HN -0.148 8.203 8.310 0.070 0.000 0.457 15 I N 1.446 121.927 120.570 -0.147 0.000 2.480 15 I HA -0.154 3.809 4.170 -0.345 0.000 0.251 15 I C 1.253 177.295 176.117 -0.125 0.000 1.124 15 I CA 3.057 64.232 61.300 -0.208 0.000 1.444 15 I CB -0.433 37.472 38.000 -0.158 0.000 1.098 15 I HN 0.099 8.269 8.210 -0.067 0.000 0.428 16 R N 0.504 120.993 120.500 -0.018 0.000 2.105 16 R HA -0.310 4.036 4.340 0.010 0.000 0.239 16 R C 2.026 178.372 176.300 0.077 0.000 1.135 16 R CA 3.579 59.695 56.100 0.027 0.000 0.967 16 R CB -1.055 29.271 30.300 0.043 0.000 0.861 16 R HN 0.242 8.515 8.270 0.006 0.000 0.442 17 W N -0.916 120.365 121.300 -0.031 0.000 2.444 17 W HA 0.008 4.647 4.660 -0.036 0.000 0.308 17 W C 0.848 177.354 176.519 -0.023 0.000 1.183 17 W CA 1.750 59.077 57.345 -0.030 0.000 1.340 17 W CB -0.332 29.111 29.460 -0.030 0.000 1.138 17 W HN -0.228 8.069 8.180 0.209 0.008 0.510 18 V N 1.398 120.854 119.914 -0.764 0.000 2.252 18 V HA -0.593 3.029 4.120 -0.830 0.000 0.249 18 V C 2.204 178.152 176.094 -0.244 0.000 1.056 18 V CA 3.944 65.808 62.300 -0.726 0.000 1.022 18 V CB -0.880 30.470 31.823 -0.789 0.000 0.641 18 V HN -0.490 7.186 8.190 -0.857 0.000 0.445 19 L N -1.374 119.753 121.223 -0.161 0.000 1.989 19 L HA -0.536 3.783 4.340 -0.034 0.000 0.211 19 L C 1.809 178.678 176.870 -0.002 0.000 1.071 19 L CA 4.022 58.834 54.840 -0.046 0.000 0.749 19 L CB -0.532 41.523 42.059 -0.007 0.000 0.890 19 L HN 0.945 8.928 8.230 -0.191 0.133 0.431 20 E N -1.101 119.111 120.200 0.019 0.000 2.085 20 E HA -0.484 3.885 4.350 0.033 0.000 0.194 20 E C 2.245 178.884 176.600 0.064 0.000 0.994 20 E CA 3.421 59.848 56.400 0.045 0.000 0.801 20 E CB -0.190 29.543 29.700 0.055 0.000 0.743 20 E HN -0.272 7.987 8.360 0.016 0.111 0.453 21 R N -0.324 120.235 120.500 0.099 0.000 2.062 21 R HA -0.328 4.088 4.340 0.126 0.000 0.231 21 R C 2.140 178.475 176.300 0.059 0.000 1.136 21 R CA 2.986 59.159 56.100 0.123 0.000 0.948 21 R CB -0.025 30.413 30.300 0.231 0.000 0.845 21 R HN 0.513 8.632 8.270 0.102 0.212 0.430 22 A N -1.233 121.599 122.820 0.019 0.000 1.877 22 A HA -0.307 4.023 4.320 0.017 0.000 0.216 22 A C 2.196 179.790 177.584 0.017 0.000 1.186 22 A CA 3.013 55.056 52.037 0.010 0.000 0.620 22 A CB -0.150 18.844 19.000 -0.011 0.000 0.822 22 A HN 0.552 8.564 8.150 -0.014 0.129 0.443 23 L N -2.381 118.853 121.223 0.019 0.000 2.083 23 L HA -0.412 3.936 4.340 0.014 0.000 0.209 23 L C 1.703 178.586 176.870 0.022 0.000 1.083 23 L CA 3.942 58.795 54.840 0.021 0.000 0.752 23 L CB -0.152 41.924 42.059 0.029 0.000 0.899 23 L HN 0.894 9.001 8.230 0.018 0.134 0.433 24 A N -5.139 117.698 122.820 0.029 0.000 2.251 24 A HA 0.351 4.844 4.320 0.023 -0.159 0.209 24 A C 0.970 178.570 177.584 0.027 0.000 1.187 24 A CA 0.618 52.671 52.037 0.028 0.000 0.823 24 A CB -0.132 18.888 19.000 0.034 0.000 0.846 24 A HN 0.230 8.195 8.150 0.035 0.207 0.486 25 G N -2.258 106.558 108.800 0.027 0.000 2.743 25 G HA2 0.012 3.987 3.960 0.026 0.000 0.206 25 G HA3 0.012 4.027 3.960 0.030 -0.037 0.206 25 G C 0.112 175.021 174.900 0.016 0.000 1.115 25 G CA 0.338 45.453 45.100 0.025 0.000 0.782 25 G HN -0.311 7.833 8.290 0.026 0.162 0.524 26 A N -0.225 122.602 122.820 0.011 0.000 2.218 26 A HA 0.202 4.524 4.320 0.004 0.000 0.209 26 A C -0.209 177.375 177.584 0.001 0.000 1.168 26 A CA 0.050 52.090 52.037 0.004 0.000 0.804 26 A CB 0.345 19.344 19.000 -0.000 0.000 0.834 26 A HN 0.317 8.285 8.150 0.013 0.190 0.482 27 G N -2.704 106.099 108.800 0.004 0.000 2.207 27 G HA2 -0.310 3.654 3.960 0.005 0.000 0.216 27 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.216 27 G C -1.532 173.367 174.900 -0.001 0.000 1.053 27 G CA -0.166 44.935 45.100 0.002 0.000 0.764 27 G HN -0.391 7.854 8.290 0.009 0.050 0.495 28 L N -2.261 118.963 121.223 0.002 0.000 2.309 28 L HA 0.420 4.877 4.340 -0.006 -0.121 0.261 28 L C -2.160 174.719 176.870 0.015 0.000 1.021 28 L CA -1.921 52.919 54.840 0.000 0.000 0.823 28 L CB 4.032 46.086 42.059 -0.008 0.000 1.366 28 L HN 0.128 8.261 8.230 0.007 0.102 0.423 29 T N 2.645 117.212 114.554 0.021 0.000 2.918 29 T HA 0.260 4.634 4.350 0.039 0.000 0.283 29 T C -1.556 173.186 174.700 0.070 0.000 1.001 29 T CA 1.899 64.026 62.100 0.045 0.000 1.041 29 T CB 1.190 70.091 68.868 0.055 0.000 1.028 29 T HN 0.663 8.780 8.240 0.010 0.129 0.511 30 C N 2.504 121.853 119.300 0.081 0.000 3.170 30 C HA 0.348 5.114 4.460 0.156 -0.213 0.319 30 C C -1.738 173.283 174.990 0.051 0.000 1.260 30 C CA -1.780 57.296 59.018 0.096 0.000 1.374 30 C CB 3.075 30.848 27.740 0.054 0.000 1.739 30 C HN 0.115 8.384 8.230 0.064 0.000 0.479 31 T N 8.423 122.992 114.554 0.026 0.000 3.078 31 T HA 0.316 4.441 4.350 -0.376 0.000 0.328 31 T C -1.082 173.236 174.700 -0.638 0.000 0.987 31 T CA -0.876 61.004 62.100 -0.367 0.000 1.049 31 T CB 1.994 70.620 68.868 -0.404 0.000 1.011 31 T HN 0.706 9.032 8.240 0.143 0.000 0.463 32 T N 4.195 118.409 114.554 -0.567 0.000 2.853 32 T HA -0.082 4.146 4.350 -0.203 0.000 0.298 32 T C -1.031 173.246 174.700 -0.705 0.000 0.978 32 T CA 1.199 63.049 62.100 -0.417 0.000 1.152 32 T CB -0.184 68.549 68.868 -0.225 0.000 0.914 32 T HN 0.417 8.393 8.240 -0.441 0.000 0.539 33 F N 4.688 124.581 119.950 -0.095 0.000 2.794 33 F HA 0.249 4.693 4.527 -0.138 0.000 0.353 33 F C -0.587 175.193 175.800 -0.033 0.000 1.371 33 F CA -1.121 56.810 58.000 -0.114 0.000 1.173 33 F CB 1.728 40.619 39.000 -0.182 0.000 1.693 33 F HN 0.601 8.799 8.300 0.026 0.118 0.606 34 E N 2.219 122.485 120.200 0.109 0.000 2.888 34 E HA -0.125 4.344 4.350 0.099 -0.059 0.271 34 E C -1.136 175.516 176.600 0.087 0.000 1.527 34 E CA -0.651 55.801 56.400 0.087 0.000 1.700 34 E CB -2.196 27.534 29.700 0.050 0.000 1.410 34 E HN 0.377 8.766 8.360 0.048 0.000 0.445 35 N N -0.817 117.950 118.700 0.111 0.000 2.932 35 N HA 0.129 4.908 4.740 0.066 0.000 0.242 35 N C -0.262 175.288 175.510 0.067 0.000 1.351 35 N CA 0.316 53.413 53.050 0.078 0.000 0.785 35 N CB 2.229 40.755 38.487 0.065 0.000 1.501 35 N HN -0.040 8.320 8.380 0.154 0.113 0.584 36 G N 2.443 111.286 108.800 0.072 0.000 2.606 36 G HA2 -0.550 3.465 3.960 0.091 0.000 0.223 36 G HA3 -0.550 3.454 3.960 0.073 0.000 0.223 36 G C 0.234 175.155 174.900 0.035 0.000 1.106 36 G CA 2.071 47.213 45.100 0.069 0.000 0.745 36 G HN 0.641 8.977 8.290 0.076 0.000 0.597 37 N N 0.176 118.890 118.700 0.024 0.000 2.039 37 N HA -0.423 4.325 4.740 0.014 0.000 0.193 37 N C 1.594 177.083 175.510 -0.036 0.000 1.044 37 N CA 3.356 56.410 53.050 0.006 0.000 0.847 37 N CB -0.357 38.136 38.487 0.011 0.000 1.030 37 N HN -0.294 8.078 8.380 0.033 0.028 0.422 38 E N 0.397 120.564 120.200 -0.055 0.000 2.065 38 E HA -0.354 3.927 4.350 -0.115 0.000 0.201 38 E C 2.557 178.920 176.600 -0.395 0.000 1.016 38 E CA 3.184 59.487 56.400 -0.161 0.000 0.818 38 E CB -0.095 29.577 29.700 -0.047 0.000 0.749 38 E HN -0.146 8.144 8.360 -0.011 0.063 0.453 39 V N -2.259 117.416 119.914 -0.398 0.000 3.078 39 V HA -0.297 3.340 4.120 -0.806 0.000 0.265 39 V C 1.823 177.909 176.094 -0.013 0.000 1.122 39 V CA 3.089 65.184 62.300 -0.341 0.000 1.141 39 V CB 0.064 31.852 31.823 -0.059 0.000 0.735 39 V HN -0.490 7.572 8.190 -0.213 0.000 0.498 40 L N 0.528 121.734 121.223 -0.027 0.000 2.221 40 L HA -0.017 4.365 4.340 0.071 0.000 0.202 40 L C 0.419 177.302 176.870 0.020 0.000 1.074 40 L CA 2.453 57.311 54.840 0.031 0.000 0.795 40 L CB 0.237 42.316 42.059 0.033 0.000 0.960 40 L HN -0.054 7.975 8.230 -0.066 0.161 0.458 41 A N -2.350 120.459 122.820 -0.019 0.000 2.251 41 A HA -0.001 4.326 4.320 0.012 0.000 0.209 41 A C 0.622 178.204 177.584 -0.003 0.000 1.187 41 A CA 1.650 53.682 52.037 -0.008 0.000 0.823 41 A CB -0.416 18.574 19.000 -0.017 0.000 0.846 41 A HN 0.630 8.553 8.150 -0.053 0.195 0.486 42 A N -2.494 120.317 122.820 -0.014 0.000 2.055 42 A HA 0.206 4.572 4.320 0.077 0.000 0.205 42 A C 0.192 177.980 177.584 0.340 0.000 1.235 42 A CA 1.234 53.322 52.037 0.085 0.000 0.822 42 A CB 0.818 19.585 19.000 -0.389 0.000 0.903 42 A HN -0.025 8.007 8.150 -0.046 0.090 0.473 43 L N -2.638 118.741 121.223 0.260 0.000 2.628 43 L HA 0.176 4.614 4.340 -0.058 -0.133 0.229 43 L C -0.443 176.450 176.870 0.038 0.000 1.137 43 L CA -0.185 54.690 54.840 0.058 0.000 0.909 43 L CB 0.439 42.471 42.059 -0.045 0.000 1.137 43 L HN -0.744 7.507 8.230 0.195 0.097 0.470 44 A N -4.921 117.935 122.820 0.059 0.000 2.195 44 A HA -0.066 4.281 4.320 0.044 0.000 0.210 44 A C 0.015 177.620 177.584 0.035 0.000 1.165 44 A CA 1.259 53.322 52.037 0.044 0.000 0.806 44 A CB 0.115 19.139 19.000 0.039 0.000 0.847 44 A HN -0.452 7.751 8.150 0.074 -0.009 0.482 45 S N -4.076 111.648 115.700 0.040 0.000 2.520 45 S HA 0.116 4.603 4.470 0.028 0.000 0.219 45 S C -0.151 174.462 174.600 0.022 0.000 1.028 45 S CA 0.992 59.213 58.200 0.034 0.000 0.921 45 S CB 0.781 64.009 63.200 0.046 0.000 0.844 45 S HN -0.124 8.177 8.310 0.056 0.043 0.495 46 K N -1.337 119.066 120.400 0.005 0.000 2.597 46 K HA 0.196 4.501 4.320 -0.026 0.000 0.278 46 K C -2.519 174.005 176.600 -0.128 0.000 0.984 46 K CA -0.291 55.974 56.287 -0.037 0.000 0.775 46 K CB 3.412 35.901 32.500 -0.018 0.000 1.465 46 K HN -0.782 7.373 8.250 0.010 0.101 0.351 47 T N -0.396 114.041 114.554 -0.195 0.000 3.041 47 T HA 0.330 4.351 4.350 -0.550 0.000 0.321 47 T C -2.139 172.327 174.700 -0.389 0.000 1.184 47 T CA -4.034 57.857 62.100 -0.348 0.000 1.050 47 T CB 0.885 69.641 68.868 -0.185 0.000 1.159 47 T HN 0.003 8.157 8.240 -0.144 0.000 0.469 48 P HA 0.216 4.412 4.420 -0.374 0.000 0.318 48 P C -1.774 175.341 177.300 -0.309 0.000 1.309 48 P CA -0.290 62.499 63.100 -0.518 0.000 0.736 48 P CB 0.589 31.782 31.700 -0.845 0.000 1.440 49 D N -2.821 117.432 120.400 -0.245 0.000 2.348 49 D HA -0.023 4.508 4.640 -0.181 0.000 0.211 49 D C -0.857 175.346 176.300 -0.162 0.000 0.998 49 D CA 0.998 54.882 54.000 -0.194 0.000 0.873 49 D CB 0.516 41.198 40.800 -0.196 0.000 0.925 49 D HN 0.077 8.304 8.370 -0.238 0.000 0.524 50 V N -5.650 114.157 119.914 -0.179 0.000 3.218 50 V HA -0.052 4.030 4.120 -0.063 0.000 0.266 50 V C -2.641 173.386 176.094 -0.112 0.000 1.831 50 V CA -0.961 61.271 62.300 -0.113 0.000 0.997 50 V CB 2.879 34.642 31.823 -0.101 0.000 1.324 50 V HN -0.788 7.213 8.190 -0.253 0.037 0.469 51 L N 1.058 122.278 121.223 -0.005 0.000 2.350 51 L HA 0.759 5.239 4.340 0.100 -0.081 0.260 51 L C -2.203 174.738 176.870 0.118 0.000 1.015 51 L CA -0.741 54.155 54.840 0.094 0.000 0.821 51 L CB 3.641 45.813 42.059 0.187 0.000 1.370 51 L HN -0.034 8.204 8.230 0.013 0.000 0.416 52 L N 0.967 122.298 121.223 0.180 0.000 2.574 52 L HA 0.324 4.741 4.340 0.128 0.000 0.258 52 L C -1.751 175.244 176.870 0.208 0.000 1.520 52 L CA -0.349 54.588 54.840 0.162 0.000 0.775 52 L CB 1.215 43.351 42.059 0.129 0.000 1.028 52 L HN 0.462 8.837 8.230 0.242 0.000 0.516 53 S N 1.044 116.888 115.700 0.240 0.000 2.614 53 S HA -0.054 4.638 4.470 0.224 -0.087 0.265 53 S C -0.768 173.962 174.600 0.217 0.000 1.303 53 S CA 1.242 59.582 58.200 0.235 0.000 1.000 53 S CB 1.246 64.598 63.200 0.252 0.000 0.935 53 S HN -0.121 8.344 8.310 0.260 0.000 0.551 54 D N 0.559 121.068 120.400 0.181 0.000 2.602 54 D HA 0.329 5.081 4.640 0.187 0.000 0.228 54 D C 0.636 177.020 176.300 0.140 0.000 1.202 54 D CA -0.781 53.315 54.000 0.160 0.000 1.084 54 D CB 1.469 42.340 40.800 0.119 0.000 1.204 54 D HN -0.343 8.127 8.370 0.168 0.000 0.629 55 I N -5.037 115.598 120.570 0.108 0.000 5.414 55 I HA 0.441 4.857 4.170 0.089 -0.193 0.219 55 I C 1.912 178.075 176.117 0.076 0.000 0.931 55 I CA 0.790 62.142 61.300 0.085 0.000 1.560 55 I CB 0.291 38.332 38.000 0.068 0.000 1.386 55 I HN -0.226 8.043 8.210 0.099 0.000 0.442 56 R N -4.009 116.527 120.500 0.060 0.000 1.384 56 R HA -0.454 3.913 4.340 0.045 0.000 0.053 56 R C 0.296 176.625 176.300 0.048 0.000 0.951 56 R CA 2.299 58.431 56.100 0.053 0.000 1.970 56 R CB -1.784 28.553 30.300 0.061 0.000 0.294 56 R HN 0.290 8.592 8.270 0.054 0.000 0.723 57 M N -0.457 119.176 119.600 0.056 0.000 2.164 57 M HA -0.103 4.404 4.480 0.045 0.000 0.270 57 M C 0.146 176.468 176.300 0.036 0.000 1.154 57 M CA -1.551 53.778 55.300 0.048 0.000 1.106 57 M CB -1.790 30.843 32.600 0.056 0.000 1.341 57 M HN 0.149 8.410 8.290 0.068 0.070 0.416 58 P HA -0.008 4.423 4.420 0.020 0.000 0.200 58 P C -0.123 177.186 177.300 0.016 0.000 1.198 58 P CA 0.772 63.884 63.100 0.020 0.000 0.892 58 P CB 0.390 32.100 31.700 0.016 0.000 0.724 59 G N -1.891 106.915 108.800 0.011 0.000 2.318 59 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.272 59 G HA3 -0.278 3.776 3.960 0.003 -0.093 0.272 59 G C 0.440 175.340 174.900 0.001 0.000 0.845 59 G CA 1.103 46.205 45.100 0.003 0.000 1.153 59 G HN 0.136 8.432 8.290 0.011 0.000 0.460 60 M N -2.326 117.275 119.600 0.003 0.000 2.796 60 M HA -0.541 3.941 4.480 0.003 0.000 0.134 60 M C -0.774 175.530 176.300 0.008 0.000 0.713 60 M CA 3.759 59.060 55.300 0.003 0.000 0.517 60 M CB -0.552 32.046 32.600 -0.003 0.000 1.907 60 M HN 0.005 8.306 8.290 0.004 -0.009 0.252 61 D N -3.823 116.581 120.400 0.008 0.000 2.454 61 D HA 0.112 4.763 4.640 0.018 0.000 0.219 61 D C -0.335 175.980 176.300 0.025 0.000 1.081 61 D CA 0.405 54.414 54.000 0.016 0.000 0.867 61 D CB 2.764 43.572 40.800 0.014 0.000 1.054 61 D HN 0.404 8.717 8.370 0.002 0.059 0.500 62 G N -1.341 107.473 108.800 0.023 0.000 2.629 62 G HA2 -0.222 3.735 3.960 0.033 0.000 0.154 62 G HA3 -0.222 3.865 3.960 0.045 -0.100 0.154 62 G C -1.045 173.881 174.900 0.044 0.000 1.077 62 G CA 0.031 45.153 45.100 0.036 0.000 0.831 62 G HN -0.379 7.790 8.290 0.014 0.129 0.495 63 L N -3.596 117.643 121.223 0.025 0.000 3.298 63 L HA 0.424 4.800 4.340 0.060 0.000 0.296 63 L C -0.765 176.116 176.870 0.018 0.000 1.237 63 L CA -1.054 53.801 54.840 0.024 0.000 1.038 63 L CB -0.574 41.469 42.059 -0.026 0.000 1.423 63 L HN -0.771 7.466 8.230 0.013 0.000 0.605 64 A N -0.412 122.418 122.820 0.016 0.000 1.861 64 A HA -0.137 4.177 4.320 -0.010 0.000 0.212 64 A C 1.567 179.160 177.584 0.015 0.000 1.199 64 A CA 2.604 54.644 52.037 0.005 0.000 0.613 64 A CB 0.025 19.026 19.000 0.002 0.000 0.846 64 A HN -0.215 7.947 8.150 0.020 0.000 0.446 65 L N -0.854 120.389 121.223 0.033 0.000 2.283 65 L HA -0.319 4.041 4.340 0.033 0.000 0.217 65 L C 1.253 178.156 176.870 0.054 0.000 1.104 65 L CA 2.608 57.475 54.840 0.045 0.000 0.772 65 L CB -0.850 41.247 42.059 0.062 0.000 0.899 65 L HN -0.090 8.162 8.230 0.037 0.000 0.439 66 L N -2.315 118.945 121.223 0.061 0.000 2.085 66 L HA -0.575 3.839 4.340 0.123 0.000 0.218 66 L C 0.862 177.742 176.870 0.016 0.000 1.080 66 L CA 2.601 57.484 54.840 0.072 0.000 0.776 66 L CB -0.946 41.160 42.059 0.078 0.000 0.891 66 L HN -0.027 8.087 8.230 0.059 0.151 0.437 67 K N -2.302 118.088 120.400 -0.017 0.000 2.049 67 K HA -0.580 3.686 4.320 -0.091 0.000 0.219 67 K C 2.180 178.770 176.600 -0.017 0.000 1.056 67 K CA 3.178 59.438 56.287 -0.044 0.000 0.946 67 K CB -1.233 31.246 32.500 -0.035 0.000 0.723 67 K HN 0.228 8.464 8.250 -0.014 0.006 0.453 68 Q N -1.084 118.730 119.800 0.023 0.000 2.077 68 Q HA -0.348 4.015 4.340 0.038 0.000 0.206 68 Q C 2.520 178.570 176.000 0.084 0.000 0.989 68 Q CA 3.359 59.194 55.803 0.054 0.000 0.853 68 Q CB -0.453 28.329 28.738 0.073 0.000 0.907 68 Q HN 0.132 8.344 8.270 0.029 0.076 0.418 69 I N -0.443 120.185 120.570 0.097 0.000 2.052 69 I HA -0.491 3.923 4.170 0.407 0.000 0.235 69 I C 2.490 178.449 176.117 -0.262 0.000 1.046 69 I CA 3.135 64.480 61.300 0.076 0.000 1.308 69 I CB -1.466 36.603 38.000 0.115 0.000 1.031 69 I HN -0.785 7.399 8.210 0.096 0.083 0.395 70 K N 0.589 120.877 120.400 -0.187 0.000 2.063 70 K HA -0.321 4.010 4.320 -0.223 -0.145 0.208 70 K C 2.714 179.260 176.600 -0.088 0.000 1.048 70 K CA 2.680 58.866 56.287 -0.169 0.000 0.928 70 K CB -0.434 31.959 32.500 -0.180 0.000 0.713 70 K HN -0.209 7.981 8.250 -0.101 0.000 0.442 71 Q N -2.605 117.166 119.800 -0.048 0.000 2.291 71 Q HA -0.235 4.091 4.340 -0.023 0.000 0.206 71 Q C 1.727 177.749 176.000 0.036 0.000 0.976 71 Q CA 2.523 58.320 55.803 -0.009 0.000 0.875 71 Q CB 0.353 29.089 28.738 -0.003 0.000 0.927 71 Q HN 0.362 8.415 8.270 -0.048 0.188 0.450 72 R N -2.174 118.381 120.500 0.091 0.000 2.103 72 R HA 0.010 4.412 4.340 0.104 0.000 0.212 72 R C 0.419 176.852 176.300 0.222 0.000 1.107 72 R CA 0.892 57.096 56.100 0.173 0.000 1.025 72 R CB 1.685 32.149 30.300 0.273 0.000 0.929 72 R HN 0.025 8.086 8.270 0.080 0.257 0.456 73 H N -4.424 114.660 119.070 0.024 0.000 2.379 73 H HA 0.496 5.056 4.556 0.006 0.000 0.229 73 H C -1.879 173.494 175.328 0.074 0.000 1.423 73 H CA -3.588 52.474 56.048 0.024 0.000 1.375 73 H CB -0.424 29.332 29.762 -0.010 0.000 1.592 73 H HN 0.629 8.811 8.280 0.064 0.136 0.507 74 P HA 0.038 4.430 4.420 0.008 0.033 0.235 74 P C -1.606 175.738 177.300 0.073 0.000 1.765 74 P CA 0.486 63.599 63.100 0.021 0.000 1.034 74 P CB -1.139 30.561 31.700 -0.001 0.000 1.984 75 M N -2.255 117.411 119.600 0.110 0.000 1.513 75 M HA -0.087 4.467 4.480 0.124 0.000 0.292 75 M C -1.407 174.969 176.300 0.127 0.000 0.839 75 M CA 1.249 56.618 55.300 0.115 0.000 1.042 75 M CB 1.372 34.020 32.600 0.081 0.000 2.101 75 M HN 0.080 8.380 8.290 0.110 0.055 0.830 76 L N 3.267 124.579 121.223 0.147 0.000 2.578 76 L HA 0.025 4.424 4.340 0.100 0.000 0.279 76 L C -0.923 175.972 176.870 0.041 0.000 1.227 76 L CA -0.446 54.475 54.840 0.134 0.000 0.900 76 L CB -0.286 41.939 42.059 0.276 0.000 1.144 76 L HN -0.655 7.675 8.230 0.167 0.000 0.496 77 P HA 0.017 4.256 4.420 -0.301 0.000 0.232 77 P C -1.402 175.565 177.300 -0.555 0.000 1.738 77 P CA -1.214 61.744 63.100 -0.237 0.000 0.948 77 P CB -1.640 30.063 31.700 0.004 0.000 1.943 78 V N -0.772 118.724 119.914 -0.696 0.000 2.872 78 V HA -0.312 3.739 4.120 -0.330 -0.130 0.307 78 V C -0.288 174.973 176.094 -1.388 0.000 1.072 78 V CA 0.867 62.776 62.300 -0.652 0.000 1.148 78 V CB 0.460 32.273 31.823 -0.016 0.000 0.954 78 V HN -0.111 7.738 8.190 -0.432 0.082 0.490 79 I N 2.372 122.566 120.570 -0.627 0.000 3.570 79 I HA 0.078 3.677 4.170 -0.951 0.000 0.270 79 I C -0.046 175.960 176.117 -0.185 0.000 1.162 79 I CA 0.458 61.410 61.300 -0.580 0.000 1.413 79 I CB 2.020 39.769 38.000 -0.418 0.000 1.437 79 I HN -0.535 7.491 8.210 -0.306 0.000 0.457 80 I N -3.854 116.742 120.570 0.045 0.000 9.167 80 I HA -0.502 3.960 4.170 0.229 -0.154 0.127 80 I C -1.744 174.543 176.117 0.283 0.000 1.869 80 I CA 1.273 62.727 61.300 0.257 0.000 2.039 80 I CB 0.169 38.446 38.000 0.461 0.000 3.968 80 I HN -0.379 7.828 8.210 -0.004 0.000 0.170 81 M N 0.527 120.313 119.600 0.312 0.000 2.537 81 M HA 0.538 5.385 4.480 0.420 -0.115 0.324 81 M C -0.456 176.004 176.300 0.268 0.000 1.187 81 M CA -0.042 55.474 55.300 0.360 0.000 0.993 81 M CB 2.804 35.615 32.600 0.352 0.000 1.666 81 M HN -0.015 8.442 8.290 0.278 0.000 0.461 82 T N -2.378 112.323 114.554 0.246 0.000 2.864 82 T HA 0.236 4.670 4.350 0.140 0.000 0.299 82 T C -1.684 173.119 174.700 0.172 0.000 1.166 82 T CA -1.852 60.345 62.100 0.162 0.000 1.007 82 T CB 3.092 72.030 68.868 0.115 0.000 1.219 82 T HN 0.078 8.570 8.240 0.300 -0.072 0.506 83 A N -0.144 122.778 122.820 0.170 0.000 3.012 83 A HA 0.326 5.162 4.320 0.354 -0.304 0.295 83 A C -0.144 177.671 177.584 0.385 0.000 1.338 83 A CA -0.869 51.326 52.037 0.262 0.000 0.981 83 A CB 0.212 19.295 19.000 0.137 0.000 1.091 83 A HN 0.390 8.886 8.150 0.128 -0.269 0.602 84 H N -3.624 115.481 119.070 0.058 0.000 4.905 84 H HA -0.479 4.108 4.556 0.052 0.000 0.065 84 H C 1.250 176.592 175.328 0.024 0.000 0.584 84 H CA 2.850 58.924 56.048 0.044 0.000 0.984 84 H CB -2.015 27.770 29.762 0.037 0.000 0.446 84 H HN -0.050 8.221 8.280 0.116 0.078 0.786 85 S N 1.526 117.325 115.700 0.166 0.000 2.603 85 S HA -0.096 4.416 4.470 0.069 0.000 0.220 85 S C -0.687 173.942 174.600 0.047 0.000 0.967 85 S CA 1.644 59.892 58.200 0.079 0.000 0.920 85 S CB 0.144 63.377 63.200 0.056 0.000 0.773 85 S HN 0.207 8.550 8.310 0.186 0.078 0.529 86 D N -1.404 119.028 120.400 0.054 0.000 2.501 86 D HA 0.128 4.771 4.640 0.004 0.000 0.224 86 D C -0.973 175.308 176.300 -0.030 0.000 1.202 86 D CA -0.167 53.844 54.000 0.019 0.000 0.829 86 D CB -0.826 40.002 40.800 0.047 0.000 1.023 86 D HN -0.186 8.234 8.370 0.088 0.003 0.499 87 L N -1.652 119.550 121.223 -0.035 0.000 2.537 87 L HA 0.120 4.350 4.340 -0.184 0.000 0.224 87 L C -0.229 176.565 176.870 -0.128 0.000 1.065 87 L CA 0.903 55.685 54.840 -0.097 0.000 0.860 87 L CB 1.718 43.761 42.059 -0.027 0.000 1.086 87 L HN -0.766 7.402 8.230 0.001 0.063 0.482 88 D N 1.201 121.561 120.400 -0.067 0.000 2.350 88 D HA -0.174 4.437 4.640 -0.049 0.000 0.216 88 D C 0.868 177.117 176.300 -0.084 0.000 0.968 88 D CA 2.899 56.865 54.000 -0.056 0.000 0.894 88 D CB -0.153 40.633 40.800 -0.024 0.000 0.909 88 D HN 0.168 8.518 8.370 -0.034 0.000 0.520 89 A N -5.929 116.818 122.820 -0.122 0.000 2.252 89 A HA 0.120 4.385 4.320 -0.092 0.000 0.213 89 A C -0.340 177.103 177.584 -0.235 0.000 1.188 89 A CA 0.672 52.632 52.037 -0.128 0.000 0.863 89 A CB 0.561 19.509 19.000 -0.087 0.000 0.893 89 A HN -0.254 7.759 8.150 -0.129 0.060 0.495 90 A N -2.943 119.618 122.820 -0.433 0.000 2.108 90 A HA 0.118 3.996 4.320 -0.737 0.000 0.206 90 A C 0.566 177.696 177.584 -0.756 0.000 1.212 90 A CA 1.341 52.773 52.037 -1.009 0.000 0.843 90 A CB 1.723 19.567 19.000 -1.927 0.000 0.902 90 A HN -0.310 7.415 8.150 -0.368 0.204 0.477 91 V N -2.271 117.443 119.914 -0.334 0.000 2.825 91 V HA -0.086 4.068 4.120 0.057 0.000 0.246 91 V C -0.451 175.625 176.094 -0.029 0.000 1.068 91 V CA 2.564 64.825 62.300 -0.064 0.000 1.088 91 V CB 0.467 32.284 31.823 -0.010 0.000 0.733 91 V HN 0.540 8.439 8.190 -0.288 0.119 0.468 92 S N -1.470 114.195 115.700 -0.059 0.000 2.078 92 S HA 0.042 4.512 4.470 0.000 0.000 0.168 92 S C -1.626 172.956 174.600 -0.030 0.000 1.542 92 S CA -0.501 57.684 58.200 -0.024 0.000 1.223 92 S CB -0.926 62.262 63.200 -0.020 0.000 1.152 92 S HN -0.719 7.530 8.310 -0.103 0.000 0.452 93 A N 2.953 125.767 122.820 -0.010 0.000 2.281 93 A HA 0.100 4.410 4.320 -0.017 0.000 0.234 93 A C -2.059 175.554 177.584 0.047 0.000 1.844 93 A CA 0.592 52.622 52.037 -0.012 0.000 1.812 93 A CB 0.126 19.097 19.000 -0.050 0.000 0.856 93 A HN -0.418 7.746 8.150 0.023 0.000 0.917 94 Y N -1.096 119.145 120.300 -0.098 0.000 2.521 94 Y HA 0.061 4.539 4.550 -0.120 0.000 0.332 94 Y C -0.209 175.646 175.900 -0.075 0.000 1.121 94 Y CA -0.436 57.596 58.100 -0.114 0.000 1.037 94 Y CB 2.141 40.504 38.460 -0.163 0.000 1.330 94 Y HN -0.504 7.833 8.280 0.095 0.000 0.452 95 Q N 2.859 122.553 119.800 -0.177 0.000 1.889 95 Q HA -0.221 4.101 4.340 -0.029 0.000 0.211 95 Q C 1.021 177.100 176.000 0.133 0.000 0.988 95 Q CA 2.100 57.872 55.803 -0.051 0.000 0.861 95 Q CB 0.273 28.922 28.738 -0.149 0.000 0.922 95 Q HN 0.172 8.072 8.270 -0.616 0.000 0.425 96 Q N -0.129 119.803 119.800 0.220 0.000 3.181 96 Q HA 0.049 4.481 4.340 0.154 0.000 0.293 96 Q C -0.619 175.572 176.000 0.320 0.000 1.406 96 Q CA -1.304 54.649 55.803 0.250 0.000 1.026 96 Q CB -1.112 27.745 28.738 0.198 0.000 1.630 96 Q HN 0.020 8.364 8.270 0.123 0.000 0.553 97 G N 0.035 108.986 108.800 0.251 0.000 2.178 97 G HA2 -0.190 3.656 3.960 -0.190 0.000 0.244 97 G HA3 -0.190 3.813 3.960 0.072 0.000 0.244 97 G C -0.854 174.064 174.900 0.030 0.000 1.213 97 G CA 0.688 45.818 45.100 0.049 0.000 0.912 97 G HN -0.479 7.900 8.290 0.230 0.049 0.474 98 A N 4.149 126.974 122.820 0.008 0.000 2.861 98 A HA 0.048 4.408 4.320 0.067 0.000 0.195 98 A C -1.584 176.104 177.584 0.173 0.000 1.370 98 A CA 0.292 52.391 52.037 0.102 0.000 1.377 98 A CB 0.800 19.866 19.000 0.110 0.000 1.144 98 A HN 0.323 8.394 8.150 -0.131 0.000 0.628 99 F N -2.353 117.407 119.950 -0.317 0.000 2.544 99 F HA 0.294 4.558 4.527 -0.439 0.000 0.378 99 F C -0.770 174.819 175.800 -0.352 0.000 1.112 99 F CA -2.126 55.570 58.000 -0.507 0.000 1.115 99 F CB 2.215 40.543 39.000 -1.121 0.000 1.436 99 F HN -0.483 7.904 8.300 0.144 0.000 0.496 100 D N -1.519 118.703 120.400 -0.297 0.000 2.755 100 D HA 0.035 4.675 4.640 0.001 0.000 0.293 100 D C -1.463 174.781 176.300 -0.093 0.000 1.642 100 D CA 0.248 54.169 54.000 -0.132 0.000 0.825 100 D CB 1.688 42.380 40.800 -0.180 0.000 1.303 100 D HN 0.103 8.122 8.370 -0.584 0.000 0.434 101 Y N -1.401 118.907 120.300 0.014 0.000 2.431 101 Y HA -0.466 4.385 4.550 0.021 -0.288 0.431 101 Y C 0.796 176.656 175.900 -0.067 0.000 1.249 101 Y CA 0.392 58.501 58.100 0.014 0.000 1.726 101 Y CB -2.351 36.152 38.460 0.071 0.000 1.185 101 Y HN -0.450 7.344 8.280 -0.810 0.000 0.434 102 L N 2.905 124.060 121.223 -0.113 0.000 2.628 102 L HA -0.207 4.005 4.340 -0.265 -0.031 0.292 102 L C -0.538 176.352 176.870 0.033 0.000 1.250 102 L CA 0.747 55.418 54.840 -0.281 0.000 0.892 102 L CB -0.381 40.946 42.059 -1.219 0.000 1.138 102 L HN -0.159 7.937 8.230 -0.223 0.000 0.502 103 P HA 0.057 4.373 4.420 -0.173 0.000 0.225 103 P C -1.059 176.250 177.300 0.016 0.000 1.768 103 P CA -1.419 61.566 63.100 -0.192 0.000 0.943 103 P CB -1.555 29.858 31.700 -0.478 0.000 1.936 104 K N 2.499 123.116 120.400 0.360 0.000 2.591 104 K HA -0.187 4.416 4.320 0.289 -0.110 0.280 104 K C -1.304 175.452 176.600 0.260 0.000 0.964 104 K CA -0.064 56.397 56.287 0.290 0.000 1.014 104 K CB -0.383 32.198 32.500 0.134 0.000 0.877 104 K HN 0.159 8.586 8.250 0.416 0.073 0.502 105 P HA 0.186 4.443 4.420 -0.271 0.000 0.275 105 P C -1.627 175.692 177.300 0.031 0.000 1.228 105 P CA -0.098 62.958 63.100 -0.073 0.000 0.786 105 P CB 0.348 31.992 31.700 -0.093 0.000 0.927 106 F N -1.773 118.184 119.950 0.012 0.000 2.894 106 F HA 0.247 4.781 4.527 0.011 0.000 0.332 106 F C -1.981 173.804 175.800 -0.025 0.000 1.192 106 F CA -2.488 55.510 58.000 -0.003 0.000 0.980 106 F CB 0.877 39.867 39.000 -0.017 0.000 1.448 106 F HN -0.520 7.190 8.300 -0.983 0.000 0.514 107 D N 1.249 121.879 120.400 0.384 0.000 2.374 107 D HA 0.122 4.815 4.640 0.089 0.000 0.240 107 D C 0.400 176.899 176.300 0.331 0.000 1.229 107 D CA -0.025 54.104 54.000 0.215 0.000 0.895 107 D CB -0.151 40.720 40.800 0.119 0.000 1.046 107 D HN 0.150 8.744 8.370 0.374 0.000 0.498 108 I N 5.888 126.572 120.570 0.190 0.000 2.143 108 I HA -0.584 3.873 4.170 0.478 0.000 0.245 108 I C 1.030 177.233 176.117 0.143 0.000 1.068 108 I CA 3.261 64.681 61.300 0.200 0.000 1.326 108 I CB 0.137 38.129 38.000 -0.013 0.000 1.028 108 I HN 0.110 8.326 8.210 0.010 0.000 0.412 109 D N -2.098 118.344 120.400 0.070 0.000 2.133 109 D HA -0.392 4.261 4.640 0.022 0.000 0.195 109 D C 2.474 178.788 176.300 0.022 0.000 0.997 109 D CA 3.863 57.883 54.000 0.033 0.000 0.840 109 D CB -0.526 40.285 40.800 0.019 0.000 0.947 109 D HN 0.230 8.636 8.370 0.050 -0.006 0.452 110 E N -1.417 118.805 120.200 0.037 0.000 2.153 110 E HA -0.217 4.114 4.350 -0.031 0.000 0.194 110 E C 2.030 178.577 176.600 -0.090 0.000 0.988 110 E CA 2.732 59.120 56.400 -0.021 0.000 0.811 110 E CB -0.343 29.349 29.700 -0.013 0.000 0.746 110 E HN 0.330 8.619 8.360 0.081 0.120 0.466 111 A N -0.913 121.869 122.820 -0.063 0.000 1.930 111 A HA -0.107 4.036 4.320 -0.296 0.000 0.215 111 A C 2.003 179.541 177.584 -0.076 0.000 1.176 111 A CA 2.872 54.817 52.037 -0.154 0.000 0.632 111 A CB -0.585 18.383 19.000 -0.055 0.000 0.819 111 A HN -0.258 7.793 8.150 0.079 0.147 0.445 112 V N -0.041 119.864 119.914 -0.014 0.000 2.323 112 V HA -0.526 3.581 4.120 -0.023 0.000 0.244 112 V C 1.639 177.704 176.094 -0.049 0.000 1.041 112 V CA 3.651 65.938 62.300 -0.021 0.000 1.025 112 V CB -0.767 31.057 31.823 0.002 0.000 0.656 112 V HN 0.423 8.429 8.190 0.024 0.198 0.451 113 A N -1.169 121.622 122.820 -0.049 0.000 1.978 113 A HA -0.237 4.054 4.320 -0.048 0.000 0.220 113 A C 1.724 179.254 177.584 -0.091 0.000 1.170 113 A CA 3.037 55.039 52.037 -0.058 0.000 0.636 113 A CB -0.720 18.251 19.000 -0.047 0.000 0.810 113 A HN 0.509 8.516 8.150 -0.036 0.121 0.448 114 L N -2.095 119.056 121.223 -0.119 0.000 1.976 114 L HA -0.250 3.991 4.340 -0.165 0.000 0.209 114 L C 1.821 178.583 176.870 -0.180 0.000 1.071 114 L CA 2.725 57.465 54.840 -0.167 0.000 0.746 114 L CB -0.367 41.567 42.059 -0.208 0.000 0.890 114 L HN -0.755 7.287 8.230 -0.116 0.119 0.432 115 V N 1.759 121.579 119.914 -0.156 0.000 2.250 115 V HA -0.679 3.334 4.120 -0.178 0.000 0.250 115 V C 1.495 177.513 176.094 -0.127 0.000 1.060 115 V CA 5.129 67.342 62.300 -0.145 0.000 1.030 115 V CB -0.145 31.615 31.823 -0.105 0.000 0.643 115 V HN -0.265 7.842 8.190 -0.138 0.000 0.445 116 E N -2.364 117.777 120.200 -0.098 0.000 2.333 116 E HA -0.285 4.021 4.350 -0.074 0.000 0.200 116 E C 1.240 177.794 176.600 -0.077 0.000 1.010 116 E CA 2.841 59.195 56.400 -0.076 0.000 0.841 116 E CB -0.257 29.410 29.700 -0.056 0.000 0.757 116 E HN -0.379 7.929 8.360 -0.088 0.000 0.508 117 R N -3.532 116.898 120.500 -0.116 0.000 2.282 117 R HA 0.105 4.404 4.340 -0.068 0.000 0.195 117 R C 0.753 176.913 176.300 -0.233 0.000 0.909 117 R CA 1.170 57.192 56.100 -0.130 0.000 1.039 117 R CB 0.828 31.041 30.300 -0.146 0.000 1.015 117 R HN 0.264 8.225 8.270 -0.142 0.224 0.513 118 A N 1.284 123.930 122.820 -0.290 0.000 1.997 118 A HA 0.102 3.647 4.320 -1.292 0.000 0.212 118 A C 1.837 179.469 177.584 0.081 0.000 1.178 118 A CA 1.780 53.556 52.037 -0.435 0.000 0.698 118 A CB 0.601 19.370 19.000 -0.385 0.000 0.842 118 A HN 0.217 8.064 8.150 -0.221 0.171 0.458 119 I N -1.566 118.979 120.570 -0.042 0.000 2.830 119 I HA -0.382 3.682 4.170 -0.176 0.000 0.263 119 I C 1.347 177.408 176.117 -0.092 0.000 1.230 119 I CA 3.296 64.511 61.300 -0.141 0.000 1.480 119 I CB -0.024 37.855 38.000 -0.203 0.000 1.095 119 I HN 0.932 8.952 8.210 -0.102 0.129 0.455 120 S N -0.496 115.285 115.700 0.135 0.000 2.452 120 S HA -0.153 4.490 4.470 0.288 0.000 0.225 120 S C 1.349 176.205 174.600 0.427 0.000 1.057 120 S CA 3.211 61.569 58.200 0.264 0.000 0.949 120 S CB 0.744 64.017 63.200 0.121 0.000 0.836 120 S HN -0.046 8.275 8.310 0.082 0.039 0.518 121 H N 2.447 121.603 119.070 0.143 0.000 2.543 121 H HA -0.137 4.448 4.556 0.048 0.000 0.286 121 H C 1.097 176.483 175.328 0.097 0.000 1.037 121 H CA 1.677 57.773 56.048 0.080 0.000 1.250 121 H CB -0.964 28.811 29.762 0.022 0.000 1.373 121 H HN -0.402 8.089 8.280 0.351 0.000 0.580 122 Y N -1.510 118.823 120.300 0.055 0.000 2.315 122 Y HA -0.249 4.099 4.550 -0.338 0.000 0.288 122 Y C 0.674 176.503 175.900 -0.119 0.000 1.154 122 Y CA 0.726 58.753 58.100 -0.122 0.000 1.229 122 Y CB -0.864 37.605 38.460 0.015 0.000 0.980 122 Y HN -0.486 8.285 8.280 0.781 -0.023 0.540 123 Q N 1.388 120.715 119.800 -0.789 0.000 3.223 123 Q HA -0.055 3.632 4.340 -1.089 0.000 0.299 123 Q C -0.628 175.158 176.000 -0.357 0.000 1.385 123 Q CA 0.086 55.403 55.803 -0.809 0.000 0.942 123 Q CB -1.382 27.025 28.738 -0.552 0.000 1.748 123 Q HN -0.542 7.510 8.270 -0.148 0.129 0.523 124 E N 0.000 120.007 120.200 -0.322 0.000 2.725 124 E HA 0.000 4.250 4.350 -0.167 0.000 0.291 124 E CA 0.000 56.277 56.400 -0.206 0.000 0.976 124 E CB 0.000 29.585 29.700 -0.191 0.000 0.812 124 E HN 0.000 8.077 8.360 -0.373 0.060 0.440