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 1kll_1_A DATA FIRST_RESID 3 DATA SEQUENCE ARISLFAVVV EDXAKSXEFY RKXGVEIPAE ADSAPHTEAV LDGGIRLAWD DATA SEQUENCE TVETVRSYDP EWQAPTGGHR FAIAFEFPDT ASVDKKYAEL VDAGYEGHLK DATA SEQUENCE PWNAVWGQRY AIVKDPDGNV VDLFAPLP 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 3 A HA 0.000 4.296 4.320 -0.039 0.000 0.244 3 A C 0.000 177.559 177.584 -0.042 0.000 1.274 3 A CA 0.000 52.014 52.037 -0.038 0.000 0.836 3 A CB 0.000 18.974 19.000 -0.043 0.000 0.831 4 R N 2.016 122.484 120.500 -0.052 0.000 2.621 4 R HA 0.432 4.743 4.340 -0.048 0.000 0.292 4 R C -1.706 174.541 176.300 -0.088 0.000 0.969 4 R CA -0.484 55.582 56.100 -0.057 0.000 0.887 4 R CB 1.891 32.163 30.300 -0.047 0.000 1.180 4 R HN 0.190 8.426 8.270 -0.057 0.000 0.450 5 I N 3.763 124.272 120.570 -0.102 0.000 2.517 5 I HA 0.019 4.062 4.170 -0.211 0.000 0.285 5 I C -0.290 175.720 176.117 -0.180 0.000 1.106 5 I CA 0.509 61.699 61.300 -0.183 0.000 1.402 5 I CB 0.619 38.490 38.000 -0.215 0.000 1.399 5 I HN 0.351 8.515 8.210 -0.077 0.000 0.535 6 S N 7.895 123.463 115.700 -0.220 0.000 2.539 6 S HA 0.092 4.494 4.470 -0.113 0.000 0.226 6 S C -1.515 172.977 174.600 -0.179 0.000 1.054 6 S CA 0.632 58.738 58.200 -0.156 0.000 0.910 6 S CB 0.903 64.032 63.200 -0.118 0.000 0.818 6 S HN 0.299 8.453 8.310 -0.260 0.000 0.490 7 L N -2.116 118.921 121.223 -0.310 0.000 2.545 7 L HA 0.524 4.988 4.340 -0.161 -0.221 0.258 7 L C -2.178 174.412 176.870 -0.468 0.000 0.942 7 L CA 0.237 54.919 54.840 -0.264 0.000 0.855 7 L CB 3.184 45.150 42.059 -0.155 0.000 1.374 7 L HN -0.812 7.174 8.230 -0.407 0.000 0.411 8 F N 3.036 122.890 119.950 -0.161 0.000 2.482 8 F HA 0.370 4.798 4.527 -0.164 0.000 0.331 8 F C -1.271 174.362 175.800 -0.279 0.000 1.115 8 F CA -1.605 56.278 58.000 -0.194 0.000 0.955 8 F CB 3.298 42.187 39.000 -0.184 0.000 1.136 8 F HN 0.227 8.528 8.300 0.002 0.000 0.452 9 A N 3.579 126.330 122.820 -0.114 0.000 2.365 9 A HA 0.882 5.244 4.320 -0.277 -0.209 0.318 9 A C -1.452 175.987 177.584 -0.241 0.000 1.091 9 A CA -1.621 50.299 52.037 -0.196 0.000 0.763 9 A CB 3.227 22.169 19.000 -0.097 0.000 1.248 9 A HN 0.239 8.339 8.150 -0.084 0.000 0.442 10 V N 2.194 121.949 119.914 -0.265 0.000 2.588 10 V HA 0.294 4.314 4.120 -0.166 0.000 0.304 10 V C -1.372 174.722 176.094 -0.001 0.000 1.042 10 V CA -1.732 60.482 62.300 -0.143 0.000 0.877 10 V CB 3.547 35.323 31.823 -0.078 0.000 0.996 10 V HN 0.406 8.404 8.190 -0.320 0.000 0.425 11 V N 6.578 126.503 119.914 0.019 0.000 2.432 11 V HA 0.395 4.629 4.120 -0.096 -0.171 0.275 11 V C 0.063 176.191 176.094 0.057 0.000 1.043 11 V CA -1.239 61.022 62.300 -0.064 0.000 0.925 11 V CB -0.052 31.585 31.823 -0.309 0.000 0.985 11 V HN 0.163 8.375 8.190 0.036 0.000 0.466 12 V N 3.175 123.121 119.914 0.053 0.000 2.628 12 V HA 0.436 4.789 4.120 0.169 -0.132 0.306 12 V C -0.003 176.126 176.094 0.059 0.000 1.045 12 V CA -3.383 58.989 62.300 0.121 0.000 0.905 12 V CB 2.550 34.472 31.823 0.164 0.000 0.997 12 V HN 0.635 8.827 8.190 0.003 0.000 0.436 13 E N 4.607 124.862 120.200 0.093 0.000 2.216 13 E HA -0.144 4.247 4.350 0.068 0.000 0.192 13 E C -0.616 176.018 176.600 0.058 0.000 0.988 13 E CA 2.354 58.802 56.400 0.081 0.000 0.834 13 E CB 0.501 30.267 29.700 0.109 0.000 0.772 13 E HN 0.268 9.032 8.360 0.121 -0.332 0.479 17 K N 1.428 121.847 120.400 0.032 0.000 2.057 17 K HA -0.175 4.192 4.320 0.078 0.000 0.206 17 K C 0.871 177.528 176.600 0.095 0.000 1.050 17 K CA 1.819 58.148 56.287 0.070 0.000 0.935 17 K CB 0.612 33.155 32.500 0.071 0.000 0.715 17 K HN -0.157 8.414 8.250 0.029 -0.304 0.439 21 F N 3.174 123.045 119.950 -0.132 0.000 2.075 21 F HA -0.370 3.855 4.527 -0.504 0.000 0.297 21 F C 0.053 175.576 175.800 -0.462 0.000 1.113 21 F CA 2.890 60.620 58.000 -0.449 0.000 1.218 21 F CB 0.562 39.159 39.000 -0.673 0.000 0.984 21 F HN -0.591 7.818 8.300 0.183 0.000 0.472 22 Y N -5.324 114.924 120.300 -0.087 0.000 2.314 22 Y HA -0.295 4.140 4.550 -0.192 0.000 0.293 22 Y C 1.891 177.697 175.900 -0.156 0.000 1.129 22 Y CA 3.156 61.196 58.100 -0.099 0.000 1.201 22 Y CB -0.060 38.456 38.460 0.093 0.000 0.999 22 Y HN -0.590 7.740 8.280 0.083 0.000 0.541 23 R N -0.385 120.091 120.500 -0.039 0.000 2.083 23 R HA -0.292 4.210 4.340 -0.015 -0.171 0.237 23 R C 1.405 177.632 176.300 -0.123 0.000 1.137 23 R CA 2.565 58.632 56.100 -0.055 0.000 0.951 23 R CB 0.096 30.368 30.300 -0.046 0.000 0.851 23 R HN 0.212 8.463 8.270 -0.031 0.000 0.434 27 V N 3.314 123.315 119.914 0.145 0.000 2.572 27 V HA -0.018 4.217 4.120 0.193 0.000 0.291 27 V C -0.799 175.365 176.094 0.117 0.000 1.039 27 V CA -0.785 61.635 62.300 0.199 0.000 1.055 27 V CB 0.426 32.461 31.823 0.353 0.000 0.969 27 V HN -0.495 7.776 8.190 0.136 0.000 0.482 28 E N 7.757 128.018 120.200 0.102 0.000 2.161 28 E HA -0.080 4.300 4.350 0.049 0.000 0.263 28 E C -1.514 175.131 176.600 0.075 0.000 1.185 28 E CA -0.127 56.314 56.400 0.069 0.000 0.938 28 E CB -0.514 29.222 29.700 0.060 0.000 1.023 28 E HN 0.296 8.722 8.360 0.111 0.000 0.433 29 I N 7.173 127.768 120.570 0.042 0.000 2.359 29 I HA 0.185 4.384 4.170 0.049 0.000 0.294 29 I C -1.647 174.480 176.117 0.017 0.000 0.987 29 I CA -4.707 56.605 61.300 0.020 0.000 1.225 29 I CB -0.194 37.779 38.000 -0.044 0.000 1.366 29 I HN -0.182 8.046 8.210 0.029 0.000 0.466 30 P HA -0.083 4.354 4.420 0.028 0.000 0.266 30 P C -1.057 176.248 177.300 0.009 0.000 1.186 30 P CA -0.243 62.872 63.100 0.025 0.000 0.767 30 P CB 0.503 32.225 31.700 0.036 0.000 0.820 31 A N 2.122 124.948 122.820 0.010 0.000 2.555 31 A HA -0.250 4.071 4.320 0.001 0.000 0.233 31 A C 0.353 177.939 177.584 0.004 0.000 1.060 31 A CA 1.243 53.284 52.037 0.005 0.000 0.759 31 A CB 0.425 19.430 19.000 0.008 0.000 0.995 31 A HN 0.020 8.179 8.150 0.014 0.000 0.506 32 E N -3.886 116.314 120.200 -0.000 0.000 3.673 32 E HA -0.435 3.915 4.350 0.000 0.000 0.309 32 E C 0.578 177.178 176.600 -0.000 0.000 0.819 32 E CA 1.355 57.756 56.400 0.002 0.000 1.111 32 E CB -1.299 28.406 29.700 0.008 0.000 1.561 32 E HN 0.451 8.809 8.360 -0.003 0.000 0.450 33 A N -1.393 121.421 122.820 -0.010 0.000 2.076 33 A HA -0.339 3.980 4.320 -0.001 0.000 0.220 33 A C 1.387 178.956 177.584 -0.024 0.000 1.160 33 A CA 2.911 54.938 52.037 -0.018 0.000 0.653 33 A CB -0.196 18.775 19.000 -0.049 0.000 0.801 33 A HN -0.609 7.465 8.150 -0.013 0.068 0.455 34 D N -3.741 116.645 120.400 -0.024 0.000 2.263 34 D HA -0.245 4.377 4.640 -0.029 0.000 0.208 34 D C 0.984 177.282 176.300 -0.003 0.000 0.971 34 D CA 2.195 56.184 54.000 -0.019 0.000 0.867 34 D CB -0.815 39.977 40.800 -0.012 0.000 0.929 34 D HN 0.307 8.624 8.370 -0.022 0.040 0.492 35 S N -1.837 113.866 115.700 0.004 0.000 2.556 35 S HA 0.048 4.525 4.470 0.012 0.000 0.216 35 S C -0.678 173.935 174.600 0.022 0.000 0.970 35 S CA 0.224 58.432 58.200 0.013 0.000 0.912 35 S CB 0.714 63.922 63.200 0.013 0.000 0.790 35 S HN -0.630 7.642 8.310 0.003 0.039 0.504 36 A N 2.456 125.291 122.820 0.025 0.000 2.316 36 A HA 0.353 4.702 4.320 0.048 0.000 0.284 36 A C -1.112 176.508 177.584 0.060 0.000 1.115 36 A CA -2.156 49.909 52.037 0.046 0.000 0.812 36 A CB -0.223 18.808 19.000 0.053 0.000 1.064 36 A HN -0.598 7.385 8.150 0.016 0.177 0.489 37 P HA -0.003 4.460 4.420 0.071 0.000 0.227 37 P C -1.594 175.802 177.300 0.160 0.000 1.161 37 P CA 1.280 64.437 63.100 0.095 0.000 0.788 37 P CB 1.011 32.763 31.700 0.086 0.000 0.822 38 H N -2.827 116.278 119.070 0.058 0.000 2.966 38 H HA 0.757 5.593 4.556 0.100 -0.220 0.347 38 H C -1.105 174.285 175.328 0.104 0.000 1.048 38 H CA -0.943 55.153 56.048 0.080 0.000 1.295 38 H CB 2.734 32.526 29.762 0.050 0.000 1.744 38 H HN -0.624 7.717 8.280 0.189 0.052 0.513 39 T N 8.951 123.370 114.554 -0.226 0.000 2.876 39 T HA 0.359 4.705 4.350 -0.007 0.000 0.289 39 T C -1.941 172.729 174.700 -0.049 0.000 1.014 39 T CA -0.536 61.539 62.100 -0.040 0.000 0.986 39 T CB 2.516 71.430 68.868 0.077 0.000 1.021 39 T HN 0.516 8.594 8.240 -0.271 0.000 0.458 40 E N 4.628 124.857 120.200 0.047 0.000 2.248 40 E HA 0.598 5.135 4.350 0.028 -0.169 0.267 40 E C -1.755 174.951 176.600 0.177 0.000 0.877 40 E CA -1.591 54.851 56.400 0.071 0.000 0.759 40 E CB 3.614 33.335 29.700 0.034 0.000 1.182 40 E HN 0.293 8.691 8.360 0.064 0.000 0.418 41 A N 4.268 127.216 122.820 0.212 0.000 2.325 41 A HA 0.423 4.844 4.320 0.169 0.000 0.333 41 A C -2.178 175.450 177.584 0.073 0.000 1.155 41 A CA -1.537 50.612 52.037 0.188 0.000 0.814 41 A CB 3.086 22.284 19.000 0.330 0.000 1.206 41 A HN 0.910 9.153 8.150 0.156 0.000 0.482 42 V N 2.199 122.153 119.914 0.067 0.000 2.427 42 V HA 0.210 4.346 4.120 0.026 0.000 0.286 42 V C -0.682 175.430 176.094 0.031 0.000 1.034 42 V CA -0.569 61.753 62.300 0.037 0.000 0.893 42 V CB 0.456 32.300 31.823 0.035 0.000 0.982 42 V HN 0.440 8.678 8.190 0.081 0.000 0.452 43 L N 5.354 126.587 121.223 0.017 0.000 2.304 43 L HA 0.421 4.765 4.340 0.006 0.000 0.268 43 L C -0.475 176.399 176.870 0.007 0.000 1.010 43 L CA -2.672 52.172 54.840 0.006 0.000 0.813 43 L CB 1.806 43.861 42.059 -0.006 0.000 1.315 43 L HN 0.342 8.581 8.230 0.015 0.000 0.445 44 D N -0.303 120.097 120.400 0.000 0.000 2.506 44 D HA -0.245 4.397 4.640 0.003 0.000 0.234 44 D C 1.224 177.528 176.300 0.008 0.000 1.143 44 D CA 0.858 54.860 54.000 0.002 0.000 0.871 44 D CB 0.214 nan 40.800 nan 0.000 1.190 44 D HN 0.186 8.551 8.370 -0.007 0.000 0.459 45 G N 1.441 110.246 108.800 0.007 0.000 2.234 45 G HA2 -0.329 3.635 3.960 0.006 0.000 0.260 45 G HA3 -0.329 3.637 3.960 0.011 0.000 0.260 45 G C 0.326 175.230 174.900 0.007 0.000 0.987 45 G CA 0.404 45.509 45.100 0.008 0.000 0.625 45 G HN 0.258 8.552 8.290 0.006 0.000 0.532 46 G N -0.979 107.826 108.800 0.008 0.000 2.176 46 G HA2 -0.401 3.564 3.960 0.008 0.000 0.253 46 G HA3 -0.401 3.561 3.960 0.003 0.000 0.253 46 G C -0.027 174.876 174.900 0.005 0.000 0.979 46 G CA -0.321 44.782 45.100 0.006 0.000 0.641 46 G HN -0.278 7.910 8.290 0.010 0.108 0.530 47 I N 1.526 122.104 120.570 0.014 0.000 2.775 47 I HA -0.305 4.030 4.170 -0.001 -0.165 0.290 47 I C -0.405 175.724 176.117 0.021 0.000 1.203 47 I CA 1.168 62.482 61.300 0.024 0.000 1.433 47 I CB -0.109 37.939 38.000 0.080 0.000 1.354 47 I HN -0.540 7.618 8.210 0.018 0.063 0.579 48 R N 3.955 124.457 120.500 0.003 0.000 2.474 48 R HA 0.676 5.184 4.340 -0.014 -0.176 0.295 48 R C -1.317 174.956 176.300 -0.046 0.000 0.980 48 R CA -2.033 54.054 56.100 -0.021 0.000 0.934 48 R CB 2.146 32.428 30.300 -0.029 0.000 1.101 48 R HN -0.037 8.224 8.270 -0.014 0.000 0.469 49 L N 3.401 124.537 121.223 -0.145 0.000 2.287 49 L HA 0.716 5.049 4.340 -0.289 -0.166 0.287 49 L C -2.666 173.810 176.870 -0.657 0.000 1.022 49 L CA -1.627 52.980 54.840 -0.388 0.000 0.814 49 L CB 3.190 44.962 42.059 -0.477 0.000 1.217 49 L HN 0.227 8.389 8.230 -0.113 0.000 0.420 50 A N 5.210 127.612 122.820 -0.697 0.000 2.413 50 A HA 1.017 5.247 4.320 -0.458 -0.185 0.307 50 A C -1.758 175.412 177.584 -0.690 0.000 1.087 50 A CA -1.807 49.888 52.037 -0.569 0.000 0.750 50 A CB 3.943 22.775 19.000 -0.281 0.000 1.296 50 A HN 0.868 8.661 8.150 -0.595 0.000 0.423 51 W N -2.254 118.903 121.300 -0.238 0.000 2.785 51 W HA 0.836 5.680 4.660 -0.100 -0.244 0.333 51 W C -1.303 175.136 176.519 -0.134 0.000 1.062 51 W CA -1.793 55.465 57.345 -0.145 0.000 1.233 51 W CB 4.006 33.402 29.460 -0.107 0.000 1.413 51 W HN 0.573 8.761 8.180 0.014 0.000 0.489 52 D N 1.957 122.443 120.400 0.144 0.000 2.646 52 D HA 0.867 5.761 4.640 0.156 -0.161 0.245 52 D C 0.233 176.551 176.300 0.031 0.000 1.099 52 D CA -0.847 53.221 54.000 0.114 0.000 0.849 52 D CB 4.480 45.345 40.800 0.108 0.000 1.448 52 D HN 0.416 8.861 8.370 0.124 0.000 0.489 53 T N -0.844 113.726 114.554 0.027 0.000 2.860 53 T HA 0.269 4.782 4.350 -0.023 -0.177 0.299 53 T C 1.921 176.537 174.700 -0.141 0.000 1.045 53 T CA -0.536 61.546 62.100 -0.030 0.000 1.071 53 T CB 1.352 70.220 68.868 -0.000 0.000 0.985 53 T HN 0.142 8.418 8.240 0.061 0.000 0.537 54 V N 2.208 122.008 119.914 -0.190 0.000 2.380 54 V HA -0.494 3.269 4.120 -0.595 0.000 0.251 54 V C 2.010 177.995 176.094 -0.183 0.000 1.063 54 V CA 4.240 66.353 62.300 -0.311 0.000 1.055 54 V CB -0.803 30.931 31.823 -0.148 0.000 0.657 54 V HN -0.201 7.912 8.190 -0.127 0.000 0.455 55 E N -1.768 118.383 120.200 -0.081 0.000 2.077 55 E HA -0.326 4.008 4.350 -0.028 0.000 0.193 55 E C 2.298 178.870 176.600 -0.046 0.000 0.989 55 E CA 3.554 59.931 56.400 -0.038 0.000 0.800 55 E CB -0.792 28.904 29.700 -0.006 0.000 0.746 55 E HN 0.336 8.634 8.360 -0.063 0.025 0.452 56 T N 2.681 117.213 114.554 -0.036 0.000 2.674 56 T HA -0.384 3.997 4.350 0.051 0.000 0.265 56 T C 1.775 176.456 174.700 -0.032 0.000 1.039 56 T CA 4.603 66.716 62.100 0.021 0.000 1.150 56 T CB -0.047 68.862 68.868 0.068 0.000 0.864 56 T HN -0.814 7.402 8.240 -0.040 0.000 0.427 57 V N 0.976 120.775 119.914 -0.193 0.000 2.343 57 V HA -0.461 3.328 4.120 -0.552 0.000 0.247 57 V C 1.684 177.407 176.094 -0.618 0.000 1.051 57 V CA 4.210 66.216 62.300 -0.490 0.000 1.036 57 V CB -0.858 30.604 31.823 -0.601 0.000 0.654 57 V HN -0.120 7.953 8.190 -0.195 0.000 0.451 58 R N -4.269 116.052 120.500 -0.298 0.000 2.285 58 R HA -0.169 4.164 4.340 -0.167 -0.093 0.213 58 R C 1.562 177.773 176.300 -0.148 0.000 1.068 58 R CA 2.165 58.163 56.100 -0.170 0.000 1.004 58 R CB -0.247 30.031 30.300 -0.037 0.000 0.873 58 R HN -0.332 7.796 8.270 -0.238 0.000 0.467 59 S N -0.545 115.080 115.700 -0.125 0.000 2.423 59 S HA -0.172 4.299 4.470 0.002 0.000 0.231 59 S C 0.673 175.302 174.600 0.049 0.000 1.014 59 S CA 2.877 61.075 58.200 -0.002 0.000 0.965 59 S CB 0.396 63.638 63.200 0.070 0.000 0.785 59 S HN -0.353 7.716 8.310 -0.141 0.156 0.495 60 Y N -4.437 115.863 120.300 0.001 0.000 2.430 60 Y HA 0.426 4.978 4.550 0.004 0.000 0.254 60 Y C -0.452 175.459 175.900 0.020 0.000 1.088 60 Y CA -1.299 56.803 58.100 0.003 0.000 1.267 60 Y CB 1.563 40.016 38.460 -0.012 0.000 1.204 60 Y HN -0.607 7.391 8.280 -0.443 0.016 0.515 61 D N 0.964 121.071 120.400 -0.488 0.000 2.613 61 D HA 0.599 5.195 4.640 -0.074 0.000 0.312 61 D C -1.335 174.898 176.300 -0.112 0.000 1.202 61 D CA -3.379 50.472 54.000 -0.249 0.000 0.825 61 D CB 0.976 41.590 40.800 -0.310 0.000 1.113 61 D HN -0.192 7.752 8.370 -0.710 0.000 0.502 62 P HA -0.074 4.424 4.420 -0.003 -0.080 0.222 62 P C 0.461 177.790 177.300 0.048 0.000 1.147 62 P CA 1.364 64.466 63.100 0.002 0.000 0.790 62 P CB 0.300 32.003 31.700 0.005 0.000 0.780 63 E N -3.053 117.174 120.200 0.044 0.000 2.409 63 E HA -0.210 4.154 4.350 0.023 0.000 0.198 63 E C 0.342 176.978 176.600 0.059 0.000 1.024 63 E CA 0.252 56.675 56.400 0.038 0.000 0.861 63 E CB -0.491 29.223 29.700 0.022 0.000 0.788 63 E HN -0.221 8.117 8.360 0.032 0.042 0.521 64 W N 1.800 123.061 121.300 -0.064 0.000 2.257 64 W HA -0.252 4.385 4.660 -0.040 0.000 0.337 64 W C -1.273 175.228 176.519 -0.030 0.000 1.321 64 W CA 2.104 59.418 57.345 -0.052 0.000 1.267 64 W CB 0.546 29.957 29.460 -0.082 0.000 1.187 64 W HN -0.446 7.699 8.180 0.223 0.169 0.565 65 Q N 5.353 124.552 119.800 -1.002 0.000 2.416 65 Q HA 0.213 4.114 4.340 -0.733 0.000 0.281 65 Q C -1.745 173.274 176.000 -1.635 0.000 1.067 65 Q CA -1.823 53.383 55.803 -0.996 0.000 0.809 65 Q CB 2.133 30.608 28.738 -0.437 0.000 1.418 65 Q HN 0.084 7.636 8.270 -1.196 0.000 0.411 66 A N 2.108 124.255 122.820 -1.121 0.000 2.448 66 A HA 0.132 3.985 4.320 -0.779 0.000 0.239 66 A C -1.142 176.231 177.584 -0.352 0.000 1.080 66 A CA -0.982 50.675 52.037 -0.634 0.000 0.779 66 A CB -0.787 18.147 19.000 -0.110 0.000 1.026 66 A HN 0.429 8.137 8.150 -0.736 0.000 0.499 67 P HA 0.140 4.484 4.420 -0.126 0.000 0.279 67 P C -1.440 175.838 177.300 -0.037 0.000 1.276 67 P CA -0.536 62.513 63.100 -0.085 0.000 0.801 67 P CB 0.714 32.414 31.700 0.001 0.000 1.127 68 T N -1.756 112.783 114.554 -0.026 0.000 2.893 68 T HA 0.197 4.549 4.350 0.004 0.000 0.293 68 T C -0.019 174.684 174.700 0.005 0.000 1.027 68 T CA -0.658 61.438 62.100 -0.007 0.000 0.988 68 T CB 1.704 70.561 68.868 -0.018 0.000 1.043 68 T HN -0.160 8.060 8.240 -0.033 0.000 0.461 69 G N 5.384 114.193 108.800 0.015 0.000 2.499 69 G HA2 -0.216 3.755 3.960 0.018 0.000 0.232 69 G HA3 -0.216 3.750 3.960 0.010 0.000 0.232 69 G C -0.449 174.467 174.900 0.027 0.000 1.251 69 G CA -0.482 44.628 45.100 0.017 0.000 0.917 69 G HN 0.197 8.498 8.290 0.018 0.000 0.580 70 G N -0.569 108.239 108.800 0.014 0.000 2.599 70 G HA2 0.121 4.109 3.960 0.046 0.000 0.264 70 G HA3 0.121 4.065 3.960 -0.027 0.000 0.264 70 G C -1.111 173.809 174.900 0.033 0.000 1.200 70 G CA -0.681 44.427 45.100 0.014 0.000 0.896 70 G HN 0.103 8.394 8.290 0.003 0.000 0.536 71 H N -3.254 115.816 119.070 -0.000 0.000 2.582 71 H HA 0.164 4.762 4.556 0.070 0.000 0.345 71 H C 0.256 175.631 175.328 0.078 0.000 1.104 71 H CA -0.141 55.923 56.048 0.027 0.000 1.390 71 H CB 0.621 30.336 29.762 -0.077 0.000 1.461 71 H HN 0.062 8.421 8.280 0.132 0.000 0.551 72 R N 1.397 122.004 120.500 0.179 0.000 2.223 72 R HA -0.065 4.263 4.340 -0.020 0.000 0.198 72 R C -0.722 175.766 176.300 0.314 0.000 0.984 72 R CA 0.896 57.078 56.100 0.136 0.000 1.018 72 R CB 0.597 30.991 30.300 0.158 0.000 0.945 72 R HN 0.564 9.018 8.270 0.307 0.000 0.479 73 F N -3.279 116.817 119.950 0.244 0.000 2.603 73 F HA 0.277 4.915 4.527 0.185 0.000 0.317 73 F C -2.498 173.449 175.800 0.244 0.000 1.066 73 F CA -2.797 55.334 58.000 0.219 0.000 0.941 73 F CB 2.274 41.352 39.000 0.129 0.000 1.291 73 F HN -0.847 7.761 8.300 0.579 0.039 0.472 74 A N -0.412 122.375 122.820 -0.055 0.000 2.539 74 A HA 0.592 4.743 4.320 -0.553 -0.163 0.296 74 A C -1.787 175.777 177.584 -0.034 0.000 1.073 74 A CA -1.272 50.618 52.037 -0.245 0.000 0.700 74 A CB 3.101 22.024 19.000 -0.128 0.000 1.296 74 A HN -0.111 8.138 8.150 0.165 0.000 0.405 75 I N 1.049 121.625 120.570 0.010 0.000 2.354 75 I HA 0.145 4.312 4.170 -0.005 0.000 0.292 75 I C -1.409 174.796 176.117 0.148 0.000 0.989 75 I CA -0.709 60.639 61.300 0.080 0.000 1.188 75 I CB 2.236 40.357 38.000 0.202 0.000 1.342 75 I HN -0.029 8.162 8.210 -0.031 0.000 0.457 76 A N 7.268 130.116 122.820 0.046 0.000 2.287 76 A HA 0.376 5.054 4.320 0.329 -0.161 0.317 76 A C -1.163 176.543 177.584 0.203 0.000 1.220 76 A CA -1.229 50.939 52.037 0.217 0.000 0.835 76 A CB 1.520 20.612 19.000 0.153 0.000 1.180 76 A HN 0.306 8.425 8.150 -0.052 0.000 0.500 77 F N 3.353 123.463 119.950 0.267 0.000 2.415 77 F HA 0.094 4.627 4.527 0.010 0.000 0.348 77 F C -1.072 174.626 175.800 -0.169 0.000 1.119 77 F CA -0.831 57.201 58.000 0.054 0.000 1.069 77 F CB 2.818 41.808 39.000 -0.016 0.000 1.124 77 F HN 0.419 9.155 8.300 0.726 0.000 0.472 78 E N 3.681 123.671 120.200 -0.350 0.000 2.227 78 E HA 0.402 4.039 4.350 -1.489 -0.180 0.282 78 E C -0.829 175.380 176.600 -0.650 0.000 1.015 78 E CA -1.206 54.682 56.400 -0.853 0.000 0.823 78 E CB 1.919 31.238 29.700 -0.635 0.000 1.081 78 E HN 0.229 8.459 8.360 -0.217 0.000 0.396 79 F N 5.372 125.076 119.950 -0.409 0.000 2.483 79 F HA 0.428 4.863 4.527 -0.153 0.000 0.329 79 F C -0.893 174.801 175.800 -0.176 0.000 1.064 79 F CA -2.844 55.028 58.000 -0.213 0.000 0.986 79 F CB 0.886 39.781 39.000 -0.174 0.000 1.218 79 F HN 0.263 8.417 8.300 -0.242 0.000 0.484 80 P HA 0.024 4.430 4.420 -0.024 0.000 0.233 80 P C -1.870 175.441 177.300 0.018 0.000 1.167 80 P CA 1.117 64.220 63.100 0.005 0.000 0.770 80 P CB -0.156 31.547 31.700 0.005 0.000 0.837 81 D N -5.152 115.272 120.400 0.039 0.000 2.653 81 D HA 0.008 4.653 4.640 0.007 0.000 0.258 81 D C 0.134 176.432 176.300 -0.004 0.000 1.252 81 D CA -1.268 52.740 54.000 0.013 0.000 0.777 81 D CB 0.994 41.799 40.800 0.007 0.000 1.339 81 D HN -0.791 7.576 8.370 0.078 0.050 0.422 82 T N -4.054 110.487 114.554 -0.022 0.000 2.857 82 T HA -0.271 4.044 4.350 -0.059 0.000 0.266 82 T C 1.852 176.508 174.700 -0.075 0.000 1.048 82 T CA 2.807 64.876 62.100 -0.051 0.000 1.139 82 T CB -0.086 68.754 68.868 -0.047 0.000 0.874 82 T HN 0.272 8.502 8.240 -0.016 0.000 0.455 83 A N 1.052 123.840 122.820 -0.054 0.000 2.019 83 A HA -0.180 4.101 4.320 -0.065 0.000 0.219 83 A C 2.217 179.749 177.584 -0.087 0.000 1.164 83 A CA 2.430 54.431 52.037 -0.060 0.000 0.644 83 A CB -0.773 18.206 19.000 -0.036 0.000 0.805 83 A HN 0.085 8.212 8.150 -0.038 0.000 0.449 84 S N -1.657 113.993 115.700 -0.083 0.000 2.419 84 S HA -0.246 4.172 4.470 -0.087 0.000 0.233 84 S C 1.942 176.315 174.600 -0.378 0.000 1.016 84 S CA 3.623 61.751 58.200 -0.119 0.000 0.974 84 S CB -0.453 62.773 63.200 0.042 0.000 0.786 84 S HN -0.448 8.003 8.310 -0.053 -0.172 0.492 85 V N 2.341 122.007 119.914 -0.414 0.000 2.270 85 V HA -0.416 3.136 4.120 -0.946 0.000 0.245 85 V C 1.451 177.362 176.094 -0.305 0.000 1.043 85 V CA 3.687 65.664 62.300 -0.539 0.000 1.014 85 V CB -0.659 30.962 31.823 -0.337 0.000 0.645 85 V HN -0.721 7.277 8.190 -0.272 0.029 0.447 86 D N -0.593 119.699 120.400 -0.181 0.000 2.123 86 D HA -0.331 4.263 4.640 -0.075 0.000 0.196 86 D C 2.349 178.627 176.300 -0.036 0.000 0.992 86 D CA 4.150 58.098 54.000 -0.086 0.000 0.833 86 D CB -0.471 40.289 40.800 -0.067 0.000 0.954 86 D HN -0.656 7.609 8.370 -0.175 0.000 0.455 87 K N -0.649 119.700 120.400 -0.084 0.000 2.025 87 K HA -0.321 3.985 4.320 -0.023 0.000 0.207 87 K C 1.981 178.540 176.600 -0.067 0.000 1.049 87 K CA 3.001 59.255 56.287 -0.055 0.000 0.933 87 K CB 0.196 32.664 32.500 -0.054 0.000 0.714 87 K HN -0.454 7.713 8.250 -0.116 0.013 0.438 88 K N -0.360 119.944 120.400 -0.161 0.000 2.097 88 K HA -0.255 4.166 4.320 -0.100 -0.161 0.206 88 K C 2.207 178.753 176.600 -0.090 0.000 1.049 88 K CA 2.068 58.259 56.287 -0.160 0.000 0.933 88 K CB -0.687 31.610 32.500 -0.337 0.000 0.717 88 K HN -0.438 7.667 8.250 -0.242 0.000 0.442 89 Y N -0.167 120.022 120.300 -0.184 0.000 2.114 89 Y HA -0.534 3.976 4.550 -0.066 0.000 0.282 89 Y C 1.246 177.127 175.900 -0.032 0.000 1.165 89 Y CA 3.907 61.956 58.100 -0.085 0.000 1.148 89 Y CB -0.067 38.353 38.460 -0.067 0.000 0.972 89 Y HN -0.107 8.159 8.280 -0.022 0.000 0.504 90 A N -2.489 120.384 122.820 0.089 0.000 1.877 90 A HA -0.436 3.908 4.320 0.040 0.000 0.216 90 A C 1.963 179.524 177.584 -0.038 0.000 1.186 90 A CA 3.180 55.237 52.037 0.032 0.000 0.620 90 A CB -0.814 18.219 19.000 0.056 0.000 0.822 90 A HN -0.418 7.805 8.150 0.133 0.007 0.443 91 E N -0.743 119.435 120.200 -0.036 0.000 2.118 91 E HA -0.334 4.001 4.350 -0.026 0.000 0.195 91 E C 2.804 179.388 176.600 -0.025 0.000 0.992 91 E CA 2.830 59.210 56.400 -0.033 0.000 0.804 91 E CB -0.161 29.518 29.700 -0.034 0.000 0.741 91 E HN -0.407 7.935 8.360 -0.030 0.000 0.458 92 L N -1.337 119.857 121.223 -0.050 0.000 2.072 92 L HA -0.283 4.155 4.340 0.163 0.000 0.205 92 L C 2.006 178.902 176.870 0.042 0.000 1.079 92 L CA 2.996 57.866 54.840 0.051 0.000 0.752 92 L CB -0.148 41.900 42.059 -0.020 0.000 0.906 92 L HN -0.155 8.007 8.230 -0.088 0.015 0.436 93 V N 0.533 120.365 119.914 -0.137 0.000 2.407 93 V HA -0.348 3.915 4.120 -0.109 -0.209 0.248 93 V C 3.196 179.243 176.094 -0.079 0.000 1.055 93 V CA 3.199 65.418 62.300 -0.135 0.000 1.049 93 V CB -0.953 30.747 31.823 -0.206 0.000 0.662 93 V HN -0.294 7.762 8.190 -0.224 0.000 0.455 94 D N 1.213 121.576 120.400 -0.062 0.000 2.123 94 D HA -0.243 4.367 4.640 -0.050 0.000 0.196 94 D C 1.292 177.546 176.300 -0.077 0.000 0.992 94 D CA 2.872 56.840 54.000 -0.053 0.000 0.833 94 D CB -0.551 40.228 40.800 -0.036 0.000 0.954 94 D HN -0.179 8.140 8.370 -0.062 0.014 0.455 95 A N -3.927 118.847 122.820 -0.077 0.000 2.209 95 A HA -0.057 4.189 4.320 -0.122 0.000 0.212 95 A C 0.467 177.845 177.584 -0.343 0.000 1.158 95 A CA 0.553 52.502 52.037 -0.148 0.000 0.742 95 A CB 0.445 19.424 19.000 -0.035 0.000 0.790 95 A HN -0.541 7.475 8.150 -0.038 0.111 0.472 96 G N -3.174 105.459 108.800 -0.278 0.000 2.163 96 G HA2 -0.305 3.546 3.960 -0.182 0.000 0.213 96 G HA3 -0.305 3.457 3.960 -0.330 0.000 0.213 96 G C -0.476 174.236 174.900 -0.314 0.000 0.991 96 G CA -0.424 44.500 45.100 -0.293 0.000 0.653 96 G HN -0.447 7.542 8.290 -0.177 0.195 0.518 97 Y N -0.507 119.775 120.300 -0.030 0.000 2.301 97 Y HA -0.112 4.419 4.550 -0.032 0.000 0.328 97 Y C -0.365 175.501 175.900 -0.057 0.000 1.242 97 Y CA -0.478 57.606 58.100 -0.027 0.000 1.323 97 Y CB 0.823 39.314 38.460 0.051 0.000 1.266 97 Y HN -0.750 7.408 8.280 -0.203 0.000 0.527 98 E N 2.653 122.927 120.200 0.124 0.000 2.257 98 E HA 0.029 4.407 4.350 0.047 0.000 0.278 98 E C -0.505 176.134 176.600 0.066 0.000 1.049 98 E CA -0.455 55.986 56.400 0.068 0.000 0.876 98 E CB 1.221 30.962 29.700 0.067 0.000 1.035 98 E HN 0.501 8.955 8.360 0.156 0.000 0.419 99 G N 4.692 113.512 108.800 0.035 0.000 2.339 99 G HA2 0.086 4.071 3.960 0.041 0.000 0.287 99 G HA3 0.086 4.056 3.960 0.015 0.000 0.287 99 G C -1.276 173.789 174.900 0.274 0.000 1.163 99 G CA -0.232 44.918 45.100 0.085 0.000 0.872 99 G HN 0.377 8.680 8.290 0.022 0.000 0.464 100 H N 7.772 126.987 119.070 0.242 0.000 2.379 100 H HA 0.029 4.664 4.556 0.132 0.000 0.308 100 H C -0.222 175.214 175.328 0.181 0.000 1.047 100 H CA 1.065 57.218 56.048 0.175 0.000 1.371 100 H CB 2.033 31.879 29.762 0.140 0.000 1.449 100 H HN 0.330 8.887 8.280 0.462 0.000 0.564 101 L N 0.478 121.782 121.223 0.134 0.000 2.404 101 L HA 0.335 4.594 4.340 -0.134 0.000 0.272 101 L C -1.796 175.104 176.870 0.050 0.000 0.980 101 L CA -1.436 53.403 54.840 -0.003 0.000 0.836 101 L CB 2.239 44.270 42.059 -0.046 0.000 1.238 101 L HN -0.484 7.965 8.230 0.365 0.000 0.408 102 K N 3.697 124.026 120.400 -0.118 0.000 2.276 102 K HA 0.102 3.680 4.320 -1.238 0.000 0.259 102 K C -1.694 174.787 176.600 -0.198 0.000 1.001 102 K CA -1.548 54.455 56.287 -0.475 0.000 0.927 102 K CB -1.215 31.139 32.500 -0.244 0.000 0.969 102 K HN 0.216 8.420 8.250 -0.077 0.000 0.490 103 P HA 0.065 4.726 4.420 -0.051 -0.272 0.264 103 P C -1.616 175.762 177.300 0.131 0.000 1.183 103 P CA 0.161 63.203 63.100 -0.097 0.000 0.763 103 P CB 0.211 31.794 31.700 -0.195 0.000 0.807 104 W N 3.385 124.620 121.300 -0.107 0.000 3.075 104 W HA 0.172 4.771 4.660 -0.102 0.000 0.334 104 W C -3.110 173.347 176.519 -0.103 0.000 1.243 104 W CA -1.639 55.646 57.345 -0.099 0.000 1.170 104 W CB 1.796 31.198 29.460 -0.098 0.000 1.452 104 W HN 0.365 8.545 8.180 -0.000 0.000 0.572 105 N N 2.267 120.927 118.700 -0.067 0.000 2.415 105 N HA -0.003 4.537 4.740 -0.332 0.000 0.246 105 N C -0.552 174.758 175.510 -0.333 0.000 1.078 105 N CA -0.521 52.388 53.050 -0.234 0.000 0.942 105 N CB -0.480 37.948 38.487 -0.099 0.000 1.140 105 N HN 0.113 8.555 8.380 0.103 0.000 0.501 106 A N 4.683 127.017 122.820 -0.811 0.000 2.351 106 A HA 0.118 4.146 4.320 -0.488 0.000 0.257 106 A C 1.319 178.506 177.584 -0.663 0.000 1.087 106 A CA -0.700 50.746 52.037 -0.985 0.000 0.798 106 A CB 1.185 18.779 19.000 -2.344 0.000 1.033 106 A HN 0.697 8.308 8.150 -0.899 0.000 0.488 107 V N -0.008 119.673 119.914 -0.388 0.000 2.720 107 V HA -0.251 3.826 4.120 -0.071 0.000 0.256 107 V C 0.210 176.300 176.094 -0.007 0.000 1.082 107 V CA 2.621 64.873 62.300 -0.080 0.000 1.101 107 V CB -0.098 31.778 31.823 0.088 0.000 0.693 107 V HN 0.610 8.589 8.190 -0.352 0.000 0.479 108 W N -5.197 116.090 121.300 -0.022 0.000 3.345 108 W HA 0.025 4.674 4.660 -0.019 0.000 0.282 108 W C 0.207 176.713 176.519 -0.022 0.000 1.302 108 W CA -1.088 56.237 57.345 -0.034 0.000 1.724 108 W CB -0.382 29.035 29.460 -0.071 0.000 1.104 108 W HN -0.817 7.037 8.180 -0.475 0.042 0.694 109 G N -0.663 108.025 108.800 -0.185 0.000 2.141 109 G HA2 -0.421 3.481 3.960 -0.097 0.000 0.195 109 G HA3 -0.421 3.547 3.960 0.013 0.000 0.195 109 G C -2.097 172.754 174.900 -0.082 0.000 1.012 109 G CA -0.419 44.631 45.100 -0.084 0.000 0.696 109 G HN -0.140 7.757 8.290 -0.366 0.174 0.508 110 Q N -2.683 116.963 119.800 -0.257 0.000 2.397 110 Q HA 0.446 4.908 4.340 0.029 -0.105 0.275 110 Q C -1.644 174.225 176.000 -0.217 0.000 1.090 110 Q CA -1.566 54.195 55.803 -0.071 0.000 0.809 110 Q CB 4.725 33.606 28.738 0.239 0.000 1.362 110 Q HN -0.834 7.112 8.270 -0.540 0.000 0.431 111 R N 3.114 123.550 120.500 -0.108 0.000 2.401 111 R HA 0.204 4.547 4.340 -0.286 -0.174 0.299 111 R C -1.524 174.684 176.300 -0.153 0.000 1.064 111 R CA -0.191 55.800 56.100 -0.183 0.000 1.000 111 R CB 0.874 31.102 30.300 -0.122 0.000 0.973 111 R HN 0.138 8.385 8.270 -0.037 0.000 0.438 112 Y N 6.829 126.789 120.300 -0.567 0.000 2.545 112 Y HA 0.847 5.459 4.550 -0.194 -0.178 0.348 112 Y C -2.284 173.337 175.900 -0.466 0.000 1.002 112 Y CA -1.668 56.091 58.100 -0.569 0.000 1.039 112 Y CB 5.321 43.123 38.460 -1.096 0.000 1.271 112 Y HN 0.326 8.295 8.280 -0.518 0.000 0.467 113 A N 0.667 123.393 122.820 -0.157 0.000 2.612 113 A HA 0.682 5.307 4.320 0.347 -0.096 0.293 113 A C -2.845 174.908 177.584 0.282 0.000 1.075 113 A CA -0.945 51.171 52.037 0.132 0.000 0.680 113 A CB 4.072 23.032 19.000 -0.067 0.000 1.279 113 A HN 0.671 8.613 8.150 -0.347 0.000 0.411 114 I N -0.040 120.801 120.570 0.451 0.000 2.499 114 I HA 0.783 5.332 4.170 0.346 -0.171 0.288 114 I C -1.297 175.087 176.117 0.445 0.000 1.048 114 I CA -1.205 60.355 61.300 0.433 0.000 1.062 114 I CB 3.223 41.525 38.000 0.503 0.000 1.238 114 I HN 0.102 8.588 8.210 0.460 0.000 0.426 115 V N 1.987 122.079 119.914 0.297 0.000 3.103 115 V HA 0.903 5.268 4.120 0.234 -0.105 0.318 115 V C -1.824 174.319 176.094 0.082 0.000 1.114 115 V CA -3.624 58.794 62.300 0.198 0.000 1.020 115 V CB 3.340 35.240 31.823 0.129 0.000 1.085 115 V HN 0.885 9.229 8.190 0.258 0.000 0.446 116 K N -0.213 120.191 120.400 0.005 0.000 2.207 116 K HA 0.801 5.229 4.320 -0.140 -0.192 0.255 116 K C -0.140 176.247 176.600 -0.355 0.000 0.941 116 K CA -1.921 54.291 56.287 -0.125 0.000 0.825 116 K CB 2.888 35.343 32.500 -0.073 0.000 1.119 116 K HN 0.130 8.405 8.250 0.041 0.000 0.430 117 D N 2.744 122.810 120.400 -0.556 0.000 2.414 117 D HA 0.144 3.584 4.640 -2.000 0.000 0.251 117 D C 0.138 176.170 176.300 -0.446 0.000 1.252 117 D CA -1.916 51.439 54.000 -1.075 0.000 0.999 117 D CB -0.844 39.408 40.800 -0.912 0.000 1.093 117 D HN 0.199 8.343 8.370 -0.376 0.000 0.515 118 P HA -0.109 4.327 4.420 0.028 0.000 0.219 118 P C -0.358 176.949 177.300 0.012 0.000 1.146 118 P CA 2.096 65.180 63.100 -0.028 0.000 0.808 118 P CB 0.076 31.806 31.700 0.050 0.000 0.779 119 D N -4.802 115.615 120.400 0.029 0.000 2.339 119 D HA 0.038 4.735 4.640 0.096 0.000 0.217 119 D C 0.654 177.001 176.300 0.078 0.000 1.050 119 D CA 0.152 54.209 54.000 0.094 0.000 0.856 119 D CB 0.072 40.974 40.800 0.171 0.000 0.922 119 D HN -0.351 8.201 8.370 0.005 -0.179 0.518 120 G N -1.869 106.939 108.800 0.013 0.000 2.157 120 G HA2 -0.421 3.520 3.960 -0.030 0.000 0.239 120 G HA3 -0.421 3.553 3.960 0.024 0.000 0.239 120 G C -0.445 174.441 174.900 -0.022 0.000 0.982 120 G CA -0.217 44.881 45.100 -0.003 0.000 0.650 120 G HN -0.272 7.909 8.290 -0.030 0.091 0.527 121 N N 0.540 119.234 118.700 -0.010 0.000 2.508 121 N HA -0.040 4.643 4.740 -0.094 0.000 0.264 121 N C -0.714 174.668 175.510 -0.215 0.000 1.216 121 N CA 0.427 53.428 53.050 -0.081 0.000 0.943 121 N CB 0.732 39.271 38.487 0.088 0.000 1.113 121 N HN -0.488 8.118 8.380 0.018 -0.216 0.447 122 V N 3.240 122.920 119.914 -0.389 0.000 2.432 122 V HA 0.084 4.185 4.120 -0.243 -0.127 0.271 122 V C -1.176 174.807 176.094 -0.185 0.000 1.046 122 V CA 0.318 62.410 62.300 -0.347 0.000 0.945 122 V CB -0.241 31.168 31.823 -0.690 0.000 0.992 122 V HN 0.445 8.296 8.190 -0.566 0.000 0.471 123 V N 8.944 128.859 119.914 0.003 0.000 2.407 123 V HA 0.461 4.896 4.120 0.227 -0.178 0.291 123 V C -1.373 174.857 176.094 0.225 0.000 1.018 123 V CA -2.389 60.030 62.300 0.198 0.000 0.842 123 V CB 2.039 34.053 31.823 0.319 0.000 0.996 123 V HN 0.886 9.074 8.190 -0.004 0.000 0.426 124 D N 7.650 128.206 120.400 0.259 0.000 2.210 124 D HA 0.562 5.457 4.640 0.173 -0.151 0.249 124 D C -0.862 175.579 176.300 0.235 0.000 1.062 124 D CA -0.816 53.297 54.000 0.189 0.000 0.891 124 D CB 2.076 42.968 40.800 0.153 0.000 1.186 124 D HN 0.263 8.802 8.370 0.280 0.000 0.432 125 L N 0.009 121.275 121.223 0.071 0.000 2.333 125 L HA 0.773 5.540 4.340 0.460 -0.151 0.280 125 L C -1.480 175.371 176.870 -0.032 0.000 1.004 125 L CA -1.038 53.903 54.840 0.167 0.000 0.820 125 L CB 1.597 43.649 42.059 -0.012 0.000 1.247 125 L HN 0.562 8.763 8.230 -0.048 0.000 0.416 126 F N -0.698 119.242 119.950 -0.016 0.000 2.686 126 F HA 1.097 5.697 4.527 -0.219 -0.204 0.311 126 F C -2.918 172.953 175.800 0.119 0.000 1.128 126 F CA -2.199 55.732 58.000 -0.114 0.000 0.946 126 F CB 3.943 42.811 39.000 -0.219 0.000 1.336 126 F HN 0.402 8.851 8.300 0.247 0.000 0.457 127 A N -2.202 120.644 122.820 0.043 0.000 2.574 127 A HA 0.611 4.837 4.320 -0.157 0.000 0.297 127 A C -3.173 174.496 177.584 0.141 0.000 1.062 127 A CA -2.461 49.570 52.037 -0.010 0.000 0.686 127 A CB 2.920 21.910 19.000 -0.016 0.000 1.285 127 A HN 0.432 8.683 8.150 0.169 0.000 0.403 128 P HA -0.051 4.472 4.420 0.172 0.000 0.271 128 P C -1.409 175.924 177.300 0.055 0.000 1.218 128 P CA -0.595 62.585 63.100 0.132 0.000 0.780 128 P CB 0.452 32.225 31.700 0.121 0.000 0.901 129 L N 2.507 123.750 121.223 0.033 0.000 2.426 129 L HA 0.141 4.473 4.340 -0.013 0.000 0.271 129 L C -0.734 176.140 176.870 0.006 0.000 1.169 129 L CA -2.786 52.052 54.840 -0.003 0.000 0.836 129 L CB -1.209 40.831 42.059 -0.032 0.000 1.112 129 L HN -0.364 7.892 8.230 0.043 0.000 0.465 130 P HA 0.000 4.425 4.420 0.008 0.000 0.216 130 P CA 0.000 63.102 63.100 0.004 0.000 0.800 130 P CB 0.000 31.699 31.700 -0.002 0.000 0.726